#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k1q n ALA 2 N 0.00 0.00 -2.93 3.17 0.00 -1.26 -4.50 120.51 114.98 3k1q n ALA 2 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 53.44 53.00 3k1q n ALA 2 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 3k1q n ALA 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3k1q s ALA 3 N -1.00 3.65 -0.74 0.00 0.00 -1.26 -1.44 121.76 120.96 3k1q s ALA 3 Ca 0.00 -3.03 -0.13 0.00 0.00 0.00 0.00 51.96 48.80 3k1q s ALA 3 Cb 0.00 -4.09 0.19 0.00 0.00 0.00 0.00 23.12 19.22 3k1q s ALA 3 CO 0.00 -2.90 0.67 0.08 0.00 0.00 0.00 175.76 173.61 3k1q s VAL 4 N 2.22 5.29 0.00 0.00 1.01 -0.61 -4.60 120.40 123.71 3k1q s VAL 4 Ca 0.37 -2.31 0.00 0.00 0.00 0.00 0.00 61.98 60.04 3k1q s VAL 4 Cb -0.04 -4.31 0.00 0.00 0.00 0.00 0.00 36.38 32.03 3k1q s VAL 4 CO -0.05 -0.97 0.00 0.49 0.00 0.00 0.00 175.10 174.57 3k1q n PHE 5 N 4.20 0.00 -1.46 5.22 3.01 -1.13 -1.05 117.46 126.25 3k1q n PHE 5 Ca 0.07 0.00 -0.19 0.00 1.01 0.00 0.00 57.45 58.34 3k1q n PHE 5 Cb 0.44 0.00 0.14 0.00 -0.01 0.00 0.00 39.48 40.06 3k1q n PHE 5 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3k1q n GLY 6 N 0.00 5.25 2.88 1.37 0.00 0.27 -4.52 105.19 110.44 3k1q n GLY 6 Ca 0.00 -1.65 -0.30 0.00 0.00 0.00 0.00 46.02 44.07 3k1q n GLY 6 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3k1q s ILE 7 N -3.82 1.77 -0.39 -0.61 -1.09 -0.22 -4.59 121.20 112.25 3k1q s ILE 7 Ca 0.53 -2.24 -0.29 0.00 -2.23 0.00 0.00 60.65 56.43 3k1q s ILE 7 Cb 0.45 -2.29 0.01 0.00 -1.58 0.00 0.00 42.46 39.04 3k1q s ILE 7 CO 0.03 -0.70 1.45 -1.58 -1.23 0.00 0.00 174.94 172.91 3k1q s GLN 8 N 0.86 3.58 0.82 2.79 2.00 -1.26 -1.58 119.66 126.87 3k1q s GLN 8 Ca 0.13 1.03 -0.09 0.00 -2.00 0.00 0.00 55.36 54.43 3k1q s GLN 8 Cb -0.20 -4.03 0.14 0.00 0.80 0.00 0.00 33.01 29.72 3k1q s GLN 8 CO -0.11 -1.56 1.14 -0.51 -0.50 0.00 0.00 175.29 173.75 3k1q s LEU 9 N 5.50 2.82 0.29 3.68 1.43 -0.52 -3.65 118.68 128.24 3k1q s LEU 9 Ca 0.63 0.10 -0.06 0.00 -1.03 0.00 0.00 54.13 53.76 3k1q s LEU 9 Cb -0.15 -2.38 -0.06 0.00 0.03 0.00 0.00 46.19 43.63 3k1q s LEU 9 CO 0.32 -2.17 0.58 0.68 0.23 0.00 0.00 176.35 175.99 3k1q s VAL 10 N -3.49 4.98 -1.31 -1.59 -7.23 -0.77 -4.68 120.40 106.31 3k1q s VAL 10 Ca 0.68 0.20 0.04 0.00 -1.81 0.00 0.00 61.98 61.09 3k1q s VAL 10 Cb -0.06 -3.71 0.06 0.00 0.56 0.00 0.00 36.38 33.23 3k1q s VAL 10 CO 0.48 -0.30 1.01 -2.65 -0.31 0.00 0.00 175.10 173.32 3k1q n PRO 11 N -0.84 0.04 -4.41 4.82 -0.02 -1.26 -4.71 135.00 128.62 3k1q n PRO 11 Ca -0.01 0.30 -0.33 0.00 -2.02 0.00 0.00 63.50 61.44 3k1q n PRO 11 Cb 0.54 -1.50 -0.16 0.00 -0.02 0.00 0.00 33.50 32.35 3k1q n PRO 11 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3k1q s LYS 12 N -2.69 3.02 0.27 -0.52 1.02 -1.26 -4.50 119.74 115.07 3k1q s LYS 12 Ca 0.03 -0.84 -0.15 0.00 0.02 0.00 0.00 55.97 55.04 3k1q s LYS 12 Cb 0.03 -2.51 -0.08 0.00 -0.52 0.00 0.00 37.83 34.75 3k1q s LYS 12 CO 0.06 -0.10 0.68 -0.51 -0.92 0.00 0.00 175.35 174.56 3k1q s LEU 13 N 1.04 4.16 -0.15 3.17 1.02 0.15 -4.33 118.68 123.74 3k1q s LEU 13 Ca -0.01 1.21 -0.11 0.00 0.02 0.00 0.00 54.13 55.23 3k1q s LEU 13 Cb -0.14 -3.84 0.04 0.00 0.02 0.00 0.00 46.19 42.27 3k1q s LEU 13 CO -0.07 -0.11 0.38 0.21 0.02 0.00 0.00 176.35 176.78 3k1q s ASN 14 N -2.14 -0.42 0.19 2.29 2.47 -0.68 -1.24 114.94 115.42 3k1q s ASN 14 Ca 0.49 0.78 0.05 0.00 0.42 0.00 0.00 52.86 54.60 3k1q s ASN 14 Cb -0.12 0.74 -0.05 0.00 -1.45 0.00 0.00 41.25 40.38 3k1q s ASN 14 CO 0.19 -0.15 -0.08 0.42 -3.72 0.00 0.00 177.10 173.76 3k1q s THR 15 N 0.60 1.29 -0.11 -5.21 -4.23 -1.26 -4.59 115.64 102.13 3k1q s THR 15 Ca -0.03 -2.09 -0.04 0.00 -1.18 0.00 0.00 61.69 58.35 3k1q s THR 15 Cb -0.05 -2.07 -0.04 0.00 1.34 0.00 0.00 72.50 71.69 3k1q s THR 15 CO -0.04 -0.57 0.04 -0.55 -0.54 0.00 0.00 174.62 172.96 3k1q s SER 16 N -3.26 5.50 -0.20 3.99 0.15 -1.26 -4.61 113.70 114.00 3k1q s SER 16 Ca 0.22 0.18 0.00 0.00 0.70 0.00 0.00 55.95 57.06 3k1q s SER 16 Cb 0.03 -1.69 -0.21 0.00 -1.71 0.00 0.00 66.02 62.45 3k1q s SER 16 CO 0.05 0.34 0.01 0.35 1.20 0.00 0.00 173.24 175.19 3k1q n THR 17 N 2.40 1.58 -3.44 6.45 -2.24 -1.26 -4.59 114.28 113.20 3k1q n THR 17 Ca -0.18 -0.62 -0.38 0.00 -2.27 0.00 0.00 64.05 60.59 3k1q n THR 17 Cb 0.54 -1.45 -0.08 0.00 -2.10 0.00 0.00 70.33 67.23 3k1q n THR 17 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3k1q s THR 18 N -2.53 5.22 0.03 4.28 -4.23 -1.25 -4.99 115.64 112.17 3k1q s THR 18 Ca -0.29 0.59 0.08 0.00 -1.18 0.00 0.00 61.69 60.89 3k1q s THR 18 Cb 0.08 -3.68 -0.02 0.00 1.34 0.00 0.00 72.50 70.21 3k1q s THR 18 CO 0.67 0.25 -0.23 0.00 -0.54 0.00 0.00 174.62 174.78 3k1q s ARG 19 N 1.39 1.60 0.72 3.99 1.70 -1.26 -0.63 118.95 126.46 3k1q s ARG 19 Ca 0.16 -0.96 -0.15 0.00 -0.47 0.00 0.00 55.73 54.31 3k1q s ARG 19 Cb -0.15 -1.70 0.03 0.00 -0.57 0.00 0.00 34.95 32.57 3k1q s ARG 19 CO 0.08 0.44 1.19 0.50 -1.08 0.00 0.00 175.30 176.43 3k1q s ARG 20 N -1.06 2.25 0.03 3.89 3.52 -0.37 -4.90 118.95 122.31 3k1q s ARG 20 Ca 0.09 1.69 -0.12 0.00 -0.13 0.00 0.00 55.73 57.26 3k1q s ARG 20 Cb -0.09 -1.85 -0.06 0.00 -1.56 0.00 0.00 34.95 31.39 3k1q s ARG 20 CO 0.01 -1.73 0.39 0.95 -0.81 0.00 0.00 175.30 174.11 3k1q s THR 21 N -2.05 5.09 -0.84 4.11 -4.23 -1.26 -4.84 115.64 111.62 3k1q s THR 21 Ca 0.73 0.62 -0.25 0.00 -1.18 0.00 0.00 61.69 61.61 3k1q s THR 21 Cb -0.27 -3.66 0.00 0.00 1.34 0.00 0.00 72.50 69.91 3k1q s THR 21 CO 0.45 0.45 1.66 -0.36 -0.54 0.00 0.00 174.62 176.27 3k1q s PHE 22 N -1.22 2.07 0.16 3.99 0.40 -1.26 -4.98 117.98 117.13 3k1q s PHE 22 Ca 0.27 0.12 -0.30 0.00 -0.60 0.00 0.00 56.93 56.43 3k1q s PHE 22 Cb -0.15 -4.35 -0.08 0.00 0.51 0.00 0.00 43.02 38.95 3k1q s PHE 22 CO 0.15 -1.99 1.26 -0.51 0.70 0.00 0.00 175.22 174.83 3k1q s LEU 23 N 7.60 4.41 0.98 -0.37 1.43 -1.26 -5.05 118.68 126.42 3k1q s LEU 23 Ca 0.56 2.26 -0.11 0.00 -1.03 0.00 0.00 54.13 55.81 3k1q s LEU 23 Cb -0.06 -3.60 0.18 0.00 0.03 0.00 0.00 46.19 42.74 3k1q s LEU 23 CO 0.04 -0.48 1.10 -2.16 0.23 0.00 0.00 176.35 175.08 3k1q s PRO 24 N 0.24 0.54 -0.88 1.29 0.04 -1.26 -4.97 135.00 129.99 3k1q s PRO 24 Ca 0.57 1.19 -0.19 0.00 0.04 0.00 0.00 61.00 62.61 3k1q s PRO 24 Cb -0.34 -1.70 0.13 0.00 0.04 0.00 0.00 34.50 32.64 3k1q s PRO 24 CO 0.35 -2.84 1.06 -1.17 0.04 0.00 0.00 177.00 174.43 3k1q s LEU 25 N -6.69 5.19 0.12 -3.56 2.96 -1.26 -5.03 118.68 110.41 3k1q s LEU 25 Ca 0.66 -2.00 -0.31 0.00 -0.22 0.00 0.00 54.13 52.26 3k1q s LEU 25 Cb -0.22 -2.38 -0.09 0.00 0.50 0.00 0.00 46.19 44.00 3k1q s LEU 25 CO 0.60 -1.04 1.65 -0.60 -1.32 0.00 0.00 176.35 175.64 3k1q s ARG 26 N 2.53 4.19 0.23 1.98 6.06 -1.26 -2.01 118.95 130.67 3k1q s ARG 26 Ca 0.29 2.40 -0.07 0.00 -2.50 0.00 0.00 55.73 55.86 3k1q s ARG 26 Cb -0.07 -3.40 0.34 0.00 0.06 0.00 0.00 34.95 31.88 3k1q s ARG 26 CO -0.07 -0.71 1.78 0.35 -2.50 0.00 0.00 175.30 174.15 3k1q h PHE 27 N 7.70 0.65 -0.66 5.12 3.57 -1.88 -0.71 116.94 130.74 3k1q h PHE 27 Ca -0.43 0.03 0.14 0.00 3.53 0.00 0.00 57.97 61.24 3k1q h PHE 27 Cb 1.20 -0.18 -0.12 0.00 2.79 0.00 0.00 35.95 39.64 3k1q h PHE 27 CO 0.72 0.24 -0.08 -0.44 -2.23 0.00 0.00 178.31 176.52 3k1q h ASP 28 N 0.62 -0.45 -0.36 0.41 3.45 -1.87 -1.22 116.42 116.99 3k1q h ASP 28 Ca 0.35 0.18 -0.06 0.00 0.43 0.00 0.00 57.03 57.93 3k1q h ASP 28 Cb 0.36 0.35 -0.01 0.00 -0.56 0.00 0.00 39.33 39.47 3k1q h ASP 28 CO -0.27 -0.18 -0.02 0.25 -1.57 0.00 0.00 179.24 177.46 3k1q h LEU 29 N 0.05 0.64 -0.48 1.55 5.85 -1.56 0.43 115.31 121.79 3k1q h LEU 29 Ca 0.33 -0.32 0.01 0.00 0.84 0.00 0.00 57.88 58.74 3k1q h LEU 29 Cb 0.54 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.37 3k1q h LEU 29 CO -0.62 0.81 0.32 0.17 -0.34 0.00 0.00 178.44 178.77 3k1q h LEU 30 N 0.46 0.55 -0.58 2.25 8.10 -1.16 0.18 115.31 125.11 3k1q h LEU 30 Ca 0.10 -0.01 0.10 0.00 0.11 0.00 0.00 57.88 58.18 3k1q h LEU 30 Cb 0.49 -0.13 -0.08 0.00 -0.44 0.00 0.00 40.66 40.50 3k1q h LEU 30 CO 0.02 0.39 0.16 -0.07 -4.11 0.00 0.00 178.44 174.84 3k1q h LEU 31 N 0.65 0.09 -0.40 0.17 3.38 -0.86 0.50 115.31 118.83 3k1q h LEU 31 Ca 0.18 0.10 0.04 0.00 0.09 0.00 0.00 57.88 58.28 3k1q h LEU 31 Cb -0.07 0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.76 3k1q h LEU 31 CO -0.04 0.06 0.17 0.44 0.09 0.00 0.00 178.44 179.16 3k1q h ASP 32 N 0.31 0.23 -0.87 -0.43 3.32 -0.48 -1.26 116.42 117.24 3k1q h ASP 32 Ca 0.30 0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.37 3k1q h ASP 32 Cb 0.41 -0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.92 3k1q h ASP 32 CO -0.35 0.17 0.48 0.03 -1.72 0.00 0.00 179.24 177.85 3k1q h ARG 33 N 0.36 1.21 0.00 3.56 3.08 0.14 -3.06 114.38 119.67 3k1q h ARG 33 Ca 0.18 -0.14 -0.01 0.00 0.07 0.00 0.00 59.98 60.09 3k1q h ARG 33 Cb 0.12 -0.24 -0.00 0.00 0.08 0.00 0.00 29.97 29.94 3k1q h ARG 33 CO -0.15 0.88 -0.02 -0.07 -1.07 0.00 0.00 179.97 179.53 3k1q h LEU 34 N 1.21 0.00 0.00 3.04 3.38 0.27 -1.59 115.31 121.62 3k1q h LEU 34 Ca 0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.28 3k1q h LEU 34 Cb 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 3k1q h LEU 34 CO -0.05 0.02 0.00 0.00 0.09 0.00 0.00 178.44 178.51 3k1q n GLN 35 N -3.87 0.10 -1.67 1.13 6.02 -0.51 -4.41 117.38 114.17 3k1q n GLN 35 Ca -0.03 0.10 -0.44 0.00 -0.01 0.00 0.00 57.00 56.62 3k1q n GLN 35 Cb 0.11 -1.50 -0.04 0.00 1.02 0.00 0.00 30.24 29.84 3k1q n GLN 35 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 3k1q n SER 36 N -1.43 3.88 -0.07 1.08 2.88 -0.60 -4.90 113.62 114.46 3k1q n SER 36 Ca 0.07 0.96 -0.10 0.00 -1.33 0.00 0.00 58.87 58.47 3k1q n SER 36 Cb 0.24 -1.48 -0.08 0.00 -0.75 0.00 0.00 64.21 62.13 3k1q n SER 36 CO 0.00 0.00 0.00 0.71 -1.23 0.00 0.00 175.04 174.52 3k1q h THR 37 N 5.19 1.07 -0.14 2.46 1.35 -1.90 -3.40 112.91 117.54 3k1q h THR 37 Ca -0.48 -1.85 -0.03 0.00 -0.55 0.00 0.00 66.41 63.50 3k1q h THR 37 Cb 1.24 2.06 -0.02 0.00 -1.73 0.00 0.00 68.15 69.71 3k1q h THR 37 CO 0.94 0.36 0.04 -0.46 -0.25 0.00 0.00 175.52 176.15 3k1q n ASN 38 N -4.64 2.31 0.00 5.36 6.94 -1.26 -4.81 115.26 119.16 3k1q n ASN 38 Ca -0.09 -2.22 0.00 0.00 -0.02 0.00 0.00 54.58 52.24 3k1q n ASN 38 Cb 0.34 -0.55 0.00 0.00 -2.36 0.00 0.00 39.78 37.22 3k1q n ASN 38 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 3k1q n LEU 39 N 0.14 0.00 0.00 -4.53 4.77 -1.26 -3.67 117.00 112.45 3k1q n LEU 39 Ca 0.07 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 3k1q n LEU 39 Cb 0.53 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 3k1q n LEU 39 CO 0.08 0.00 0.00 1.57 -1.33 0.00 0.00 177.39 177.71 3k1q n HIS 40 N -2.32 0.00 -2.18 -1.77 -0.00 -1.26 -0.23 115.22 107.46 3k1q n HIS 40 Ca 0.00 0.00 -0.04 0.00 0.46 0.00 0.00 57.72 58.14 3k1q n HIS 40 Cb 0.00 -0.48 0.08 0.00 -0.12 0.00 0.00 29.99 29.47 3k1q n HIS 40 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 3k1q n GLY 41 N -0.96 3.86 0.00 1.57 0.00 -1.24 -3.56 105.19 104.86 3k1q n GLY 41 Ca 0.00 -1.53 0.00 0.00 0.00 0.00 0.00 46.02 44.49 3k1q n GLY 41 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3k1q n VAL 42 N -0.54 0.00 -0.06 1.61 0.31 0.68 -4.93 118.33 115.40 3k1q n VAL 42 Ca 0.20 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.52 3k1q n VAL 42 Cb 0.89 -0.23 0.01 0.00 -0.91 0.00 0.00 33.84 33.60 3k1q n VAL 42 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3k1q n LEU 43 N -0.45 4.70 0.00 7.52 4.77 -1.25 -4.81 117.00 127.48 3k1q n LEU 43 Ca 0.00 -2.20 0.00 0.00 -0.03 0.00 0.00 56.01 53.78 3k1q n LEU 43 Cb 0.00 -0.92 0.00 0.00 -2.33 0.00 0.00 43.42 40.17 3k1q n LEU 43 CO 0.00 0.86 0.00 0.00 -1.33 0.00 0.00 177.39 176.92 3k1q n TYR 44 N 1.07 0.00 -3.72 -1.77 0.18 -1.26 -1.94 117.16 109.71 3k1q n TYR 44 Ca 0.03 0.00 -0.37 0.00 1.88 0.00 0.00 57.90 59.44 3k1q n TYR 44 Cb 0.52 0.00 -0.10 0.00 -0.38 0.00 0.00 39.34 39.38 3k1q n TYR 44 CO 0.00 0.00 0.00 0.50 -2.08 0.00 0.00 176.86 175.28 3k1q s ARG 45 N -2.00 2.41 -0.29 -3.48 6.06 -0.37 -4.58 118.95 116.70 3k1q s ARG 45 Ca 0.00 -2.29 -0.24 0.00 -2.50 0.00 0.00 55.73 50.69 3k1q s ARG 45 Cb 0.00 -3.71 -0.00 0.00 0.06 0.00 0.00 34.95 31.30 3k1q s ARG 45 CO 0.00 -1.15 0.82 0.00 -2.50 0.00 0.00 175.30 172.47 3k1q s ALA 46 N 0.34 3.56 -0.30 6.12 0.00 -1.23 -2.10 121.76 128.15 3k1q s ALA 46 Ca 0.14 -0.32 -0.18 0.00 0.00 0.00 0.00 51.96 51.60 3k1q s ALA 46 Cb -0.21 -3.32 -0.02 0.00 0.00 0.00 0.00 23.12 19.57 3k1q s ALA 46 CO -0.04 -1.14 0.50 -0.51 0.00 0.00 0.00 175.76 174.58 3k1q s LEU 47 N 2.97 4.18 0.07 0.00 1.43 -0.15 -4.97 118.68 122.21 3k1q s LEU 47 Ca 0.34 0.25 0.07 0.00 -1.03 0.00 0.00 54.13 53.76 3k1q s LEU 47 Cb -0.14 -2.61 -0.03 0.00 0.03 0.00 0.00 46.19 43.44 3k1q s LEU 47 CO 0.11 -0.37 -0.20 -0.62 0.23 0.00 0.00 176.35 175.50 3k1q s ASP 48 N 1.66 2.38 -0.96 2.29 2.15 -1.26 -0.96 116.67 121.97 3k1q s ASP 48 Ca 0.20 -0.59 -0.03 0.00 0.43 0.00 0.00 52.55 52.56 3k1q s ASP 48 Cb -0.15 -0.16 0.25 0.00 -0.30 0.00 0.00 42.92 42.55 3k1q s ASP 48 CO 0.11 0.10 0.94 0.33 -0.17 0.00 0.00 175.17 176.48 3k1q n PHE 49 N 1.52 4.32 -0.30 -5.34 7.35 0.04 -4.58 117.46 120.47 3k1q n PHE 49 Ca -0.18 -3.94 0.12 0.00 -0.76 0.00 0.00 57.45 52.68 3k1q n PHE 49 Cb 0.54 -1.27 0.29 0.00 0.35 0.00 0.00 39.48 39.38 3k1q n PHE 49 CO 0.00 0.00 0.00 -0.97 -0.76 0.00 0.00 176.76 175.03 3k1q h ASN 50 N 6.01 0.28 -0.91 -2.13 -0.73 -1.92 -2.93 115.58 113.25 3k1q h ASN 50 Ca 0.17 0.15 0.26 0.00 1.87 0.00 0.00 56.30 58.75 3k1q h ASN 50 Cb 0.80 0.14 -0.15 0.00 0.27 0.00 0.00 38.32 39.38 3k1q h ASN 50 CO 0.94 -0.01 0.21 -0.65 -0.37 0.00 0.00 177.43 177.56 3k1q h PRO 51 N 0.38 0.14 -0.74 6.67 0.11 -1.92 0.11 132.00 136.76 3k1q h PRO 51 Ca 0.54 -0.01 -0.41 0.00 0.11 0.00 0.00 66.00 66.23 3k1q h PRO 51 Cb 1.01 -0.03 -0.24 0.00 0.11 0.00 0.00 31.00 31.85 3k1q h PRO 51 CO -0.53 0.09 0.32 1.33 -0.21 0.00 0.00 178.00 179.00 3k1q n VAL 52 N -5.29 2.98 -2.37 3.15 0.24 -1.23 -4.87 118.33 110.93 3k1q n VAL 52 Ca 0.23 -2.50 -0.15 0.00 -2.04 0.00 0.00 64.34 59.88 3k1q n VAL 52 Cb 0.75 -0.53 -0.01 0.00 -1.47 0.00 0.00 33.84 32.57 3k1q n VAL 52 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 3k1q n ASP 53 N -1.09 -4.45 -4.45 -1.34 8.00 0.40 -4.98 116.55 108.64 3k1q n ASP 53 Ca 0.49 0.15 -0.27 0.00 0.71 0.00 0.00 54.79 55.88 3k1q n ASP 53 Cb 1.27 -3.77 -0.11 0.00 -0.02 0.00 0.00 41.12 38.48 3k1q n ASP 53 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3k1q s ARG 54 N -4.93 1.60 0.52 -1.24 1.81 -1.11 -4.96 118.95 110.65 3k1q s ARG 54 Ca 0.00 -1.52 -0.21 0.00 -1.72 0.00 0.00 55.73 52.28 3k1q s ARG 54 Cb 0.00 -1.87 -0.06 0.00 -0.45 0.00 0.00 34.95 32.57 3k1q s ARG 54 CO 0.00 0.40 1.17 0.45 -0.68 0.00 0.00 175.30 176.64 3k1q s SER 55 N -2.78 5.77 0.00 0.23 0.15 -1.26 -0.78 113.70 115.03 3k1q s SER 55 Ca 0.22 2.30 0.00 0.00 0.70 0.00 0.00 55.95 59.18 3k1q s SER 55 Cb -0.08 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 61.64 3k1q s SER 55 CO 0.11 -1.19 0.00 0.00 1.20 0.00 0.00 173.24 173.36 3k1q n ALA 56 N -1.02 0.00 0.01 5.45 0.00 -0.13 -3.87 120.51 120.96 3k1q n ALA 56 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.54 3k1q n ALA 56 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 3k1q n ALA 56 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3k1q n THR 57 N 0.00 0.28 -3.68 0.00 -2.24 -0.60 -4.75 114.28 103.29 3k1q n THR 57 Ca 0.00 0.09 -0.14 0.00 -2.27 0.00 0.00 64.05 61.73 3k1q n THR 57 Cb 0.00 -1.51 -0.14 0.00 -2.10 0.00 0.00 70.33 66.58 3k1q n THR 57 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3k1q s VAL 58 N -2.00 -0.33 -0.51 2.28 0.11 -1.26 -0.76 120.40 117.94 3k1q s VAL 58 Ca 0.00 0.27 -0.19 0.00 -2.93 0.00 0.00 61.98 59.13 3k1q s VAL 58 Cb 0.00 -0.41 0.06 0.00 -1.53 0.00 0.00 36.38 34.50 3k1q s VAL 58 CO 0.00 0.11 0.63 -0.63 -3.33 0.00 0.00 175.10 171.88 3k1q s ILE 59 N 2.19 4.87 -1.08 7.04 1.09 -0.38 -0.98 121.20 133.96 3k1q s ILE 59 Ca -0.00 -0.51 -0.18 0.00 -1.10 0.00 0.00 60.65 58.86 3k1q s ILE 59 Cb -0.12 -4.31 0.13 0.00 -1.06 0.00 0.00 42.46 37.10 3k1q s ILE 59 CO -0.08 -0.82 1.34 -1.10 -0.10 0.00 0.00 174.94 174.18 3k1q s GLN 60 N 2.63 3.81 0.24 2.79 -0.21 -0.89 -1.38 119.66 126.65 3k1q s GLN 60 Ca 0.15 -1.98 -0.30 0.00 0.02 0.00 0.00 55.36 53.25 3k1q s GLN 60 Cb -0.19 -5.10 -0.15 0.00 1.00 0.00 0.00 33.01 28.57 3k1q s GLN 60 CO 0.12 -1.89 1.08 0.25 -2.12 0.00 0.00 175.29 172.73 3k1q n THR 61 N 5.49 1.54 -3.47 -0.19 -2.24 -0.93 -1.24 114.28 113.23 3k1q n THR 61 Ca 0.32 -0.39 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 3k1q n THR 61 Cb 0.47 -0.96 0.00 0.00 -2.10 0.00 0.00 70.33 67.74 3k1q n THR 61 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 3k1q n TYR 62 N 0.78 -0.43 -3.76 4.78 0.53 -0.82 -4.70 117.16 113.55 3k1q n TYR 62 Ca 0.12 0.00 -0.37 0.00 -1.02 0.00 0.00 57.90 56.63 3k1q n TYR 62 Cb 0.29 0.00 -0.12 0.00 -1.03 0.00 0.00 39.34 38.49 3k1q n TYR 62 CO 0.00 0.00 0.00 -1.25 -1.02 0.00 0.00 176.86 174.59 3k1q s PRO 63 N -0.90 3.78 1.06 -0.72 0.04 -1.26 0.56 135.00 137.55 3k1q s PRO 63 Ca 0.00 -0.42 -0.16 0.00 0.04 0.00 0.00 61.00 60.46 3k1q s PRO 63 Cb 0.00 -3.39 0.22 0.00 0.04 0.00 0.00 34.50 31.37 3k1q s PRO 63 CO 0.00 -0.11 1.17 -1.25 0.04 0.00 0.00 177.00 176.85 3k1q s PRO 64 N 1.44 -0.07 0.00 0.56 0.04 -1.26 -5.01 135.00 130.70 3k1q s PRO 64 Ca 0.06 -0.02 0.00 0.00 0.04 0.00 0.00 61.00 61.08 3k1q s PRO 64 Cb -0.15 -1.73 0.00 0.00 0.04 0.00 0.00 34.50 32.66 3k1q s PRO 64 CO 0.05 -2.95 0.00 1.28 0.04 0.00 0.00 177.00 175.42 3k1q n LEU 65 N -4.23 0.00 0.00 -3.56 4.77 -0.96 -4.88 117.00 108.14 3k1q n LEU 65 Ca 0.11 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 3k1q n LEU 65 Cb 0.59 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.68 3k1q n LEU 65 CO 0.49 0.00 0.16 0.59 -1.33 0.00 0.00 177.39 177.30 3k1q n ASN 66 N 0.00 0.00 -1.59 -1.43 5.03 0.19 -2.34 115.26 115.12 3k1q n ASN 66 Ca 0.00 0.03 -0.14 0.00 0.87 0.00 0.00 54.58 55.34 3k1q n ASN 66 Cb 0.00 -0.03 0.16 0.00 -1.02 0.00 0.00 39.78 38.89 3k1q n ASN 66 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3k1q n ALA 67 N -0.75 4.88 -2.72 5.41 0.00 -1.26 -3.31 120.51 122.76 3k1q n ALA 67 Ca 0.00 -3.22 -0.36 0.00 0.00 0.00 0.00 53.44 49.87 3k1q n ALA 67 Cb 0.06 -0.94 -0.08 0.00 0.00 0.00 0.00 19.45 18.49 3k1q n ALA 67 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 3k1q s TRP 68 N -3.37 3.42 0.00 0.00 -0.00 -0.99 -4.38 118.94 113.62 3k1q s TRP 68 Ca 0.50 0.42 0.00 0.00 -0.00 0.00 0.00 56.10 57.02 3k1q s TRP 68 Cb 0.43 -2.25 0.00 0.00 -0.00 0.00 0.00 33.47 31.66 3k1q s TRP 68 CO 0.02 0.24 0.00 -1.13 -0.00 0.00 0.00 176.95 176.08 3k1q n SER 69 N 3.65 0.00 -0.19 5.86 3.41 -1.26 -3.93 113.62 121.16 3k1q n SER 69 Ca -0.14 0.00 -0.03 0.00 -0.26 0.00 0.00 58.87 58.44 3k1q n SER 69 Cb 0.52 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 64.51 3k1q n SER 69 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 3k1q h PRO 70 N 0.00 -0.07 0.00 4.33 0.13 -1.90 -3.11 132.00 131.38 3k1q h PRO 70 Ca 0.00 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 65.03 3k1q h PRO 70 Cb 0.00 0.02 -0.23 0.00 0.13 0.00 0.00 31.00 30.92 3k1q h PRO 70 CO 0.00 -0.05 -0.82 -2.39 -0.23 0.00 0.00 178.00 174.52 3k1q n HIS 71 N -5.43 0.00 -0.41 1.56 1.44 -1.26 -4.87 115.22 106.26 3k1q n HIS 71 Ca 0.06 -0.90 0.36 0.00 -2.01 0.00 0.00 57.72 55.23 3k1q n HIS 71 Cb 0.33 -0.19 0.62 0.00 0.12 0.00 0.00 29.99 30.87 3k1q n HIS 71 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 3k1q n HIS 72 N -0.16 0.81 0.09 -1.40 -0.00 -1.18 -1.35 115.22 112.03 3k1q n HIS 72 Ca 0.11 0.81 -0.06 0.00 -0.00 0.00 0.00 57.72 58.58 3k1q n HIS 72 Cb 0.96 -1.24 0.04 0.00 -0.00 0.00 0.00 29.99 29.76 3k1q n HIS 72 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3k1q h ALA 73 N 1.64 0.67 -0.97 1.57 0.00 -1.90 -1.78 119.26 118.48 3k1q h ALA 73 Ca 0.83 -0.67 0.22 0.00 0.00 0.00 0.00 54.91 55.29 3k1q h ALA 73 Cb 2.54 -0.09 -0.12 0.00 0.00 0.00 0.00 17.79 20.12 3k1q h ALA 73 CO -0.53 0.88 0.55 0.35 0.00 0.00 0.00 179.25 180.50 3k1q h PHE 74 N 0.09 0.95 0.00 0.00 3.04 -1.64 -1.43 116.94 117.95 3k1q h PHE 74 Ca -0.02 0.04 -0.03 0.00 3.98 0.00 0.00 57.97 61.93 3k1q h PHE 74 Cb 1.36 -0.27 -0.00 0.00 2.56 0.00 0.00 35.95 39.60 3k1q h PHE 74 CO 0.02 0.11 -0.14 0.82 -2.02 0.00 0.00 178.31 177.09 3k1q h ILE 75 N 0.61 0.97 -2.89 1.41 2.04 -1.36 -3.49 117.51 114.80 3k1q h ILE 75 Ca 0.60 -0.50 0.10 0.00 1.00 0.00 0.00 64.86 66.06 3k1q h ILE 75 Cb 1.05 1.28 -0.06 0.00 -0.74 0.00 0.00 36.82 38.36 3k1q h ILE 75 CO -0.45 0.14 -0.71 -0.62 0.00 0.00 0.00 178.15 176.51 3k1q n GLU 76 N -4.18 -2.38 -2.63 2.37 -0.58 -0.54 -4.94 120.64 107.77 3k1q n GLU 76 Ca -0.02 1.89 -0.41 0.00 -0.42 0.00 0.00 57.16 58.20 3k1q n GLU 76 Cb 0.22 -2.70 -0.05 0.00 -0.57 0.00 0.00 31.44 28.34 3k1q n GLU 76 CO 0.00 0.00 0.00 -0.80 -0.48 0.00 0.00 177.13 175.85 3k1q s ASN 77 N -5.63 7.42 0.67 1.62 0.01 -1.26 -5.04 114.94 112.72 3k1q s ASN 77 Ca 0.00 1.98 -0.14 0.00 -0.71 0.00 0.00 52.86 54.00 3k1q s ASN 77 Cb 0.00 -2.60 0.00 0.00 0.41 0.00 0.00 41.25 39.06 3k1q s ASN 77 CO 0.00 -0.08 1.09 -2.84 -1.51 0.00 0.00 177.10 173.75 3k1q s PRO 78 N -0.52 2.82 0.58 -0.60 0.02 -1.26 -4.82 135.00 131.22 3k1q s PRO 78 Ca 0.46 1.26 0.29 0.00 0.02 0.00 0.00 61.00 63.03 3k1q s PRO 78 Cb -0.27 -1.96 1.49 0.00 0.02 0.00 0.00 34.50 33.78 3k1q s PRO 78 CO 0.33 -1.21 1.93 1.25 -0.33 0.00 0.00 177.00 178.97 3k1q h LEU 79 N -0.18 0.00 -7.23 -5.54 5.85 -1.96 -3.38 115.31 102.87 3k1q h LEU 79 Ca -0.46 0.00 0.09 0.00 0.84 0.00 0.00 57.88 58.35 3k1q h LEU 79 Cb 1.23 0.00 -0.12 0.00 0.37 0.00 0.00 40.66 42.14 3k1q h LEU 79 CO 0.55 0.00 0.39 -0.62 -0.34 0.00 0.00 178.44 178.42 3k1q s ASP 80 N -5.40 -0.37 0.18 1.25 -1.08 -1.26 -4.93 116.67 105.07 3k1q s ASP 80 Ca -0.04 -0.14 -0.13 0.00 -0.52 0.00 0.00 52.55 51.72 3k1q s ASP 80 Cb 0.16 0.49 0.13 0.00 -1.46 0.00 0.00 42.92 42.25 3k1q s ASP 80 CO 0.58 -0.84 1.80 0.22 0.52 0.00 0.00 175.17 177.45 3k1q h TYR 81 N 2.00 0.55 -0.81 -5.34 3.20 -1.91 0.41 116.97 115.07 3k1q h TYR 81 Ca -0.25 0.02 0.11 0.00 3.14 0.00 0.00 58.73 61.75 3k1q h TYR 81 Cb 1.26 -0.17 -0.08 0.00 1.54 0.00 0.00 36.73 39.28 3k1q h TYR 81 CO 0.29 0.29 0.43 0.00 -1.64 0.00 0.00 178.16 177.54 3k1q h ARG 82 N 0.58 0.67 -0.64 1.82 3.08 -1.92 -0.78 114.38 117.19 3k1q h ARG 82 Ca 0.23 -0.04 -0.07 0.00 0.07 0.00 0.00 59.98 60.16 3k1q h ARG 82 Cb 0.08 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 29.96 3k1q h ARG 82 CO -0.13 0.44 0.12 -0.44 -1.07 0.00 0.00 179.97 178.89 3k1q h ASP 83 N 0.69 1.01 -0.06 7.04 3.32 -1.61 -3.20 116.42 123.61 3k1q h ASP 83 Ca 0.41 -0.25 -0.03 0.00 0.02 0.00 0.00 57.03 57.17 3k1q h ASP 83 Cb 0.46 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 3k1q h ASP 83 CO -0.29 1.01 -0.04 -0.25 -1.72 0.00 0.00 179.24 177.94 3k1q h TRP 84 N 0.97 0.27 -0.00 4.55 7.01 -0.10 -2.80 115.95 125.84 3k1q h TRP 84 Ca 0.20 -0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.18 3k1q h TRP 84 Cb 0.42 -0.08 -0.00 0.00 -2.10 0.00 0.00 29.16 27.40 3k1q h TRP 84 CO 0.03 0.32 -0.01 1.15 -2.79 0.00 0.00 178.44 177.13 3k1q h THR 85 N 0.26 0.00 -0.21 2.65 2.02 -1.22 -1.84 112.91 114.58 3k1q h THR 85 Ca 0.06 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.26 3k1q h THR 85 Cb 0.25 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.63 3k1q h THR 85 CO 0.01 0.00 -0.12 -0.62 0.37 0.00 0.00 175.52 175.16 3k1q n GLU 86 N -2.59 -0.09 -0.22 6.66 4.71 -1.21 -1.24 120.64 126.66 3k1q n GLU 86 Ca -0.00 0.97 -0.07 0.00 -0.01 0.00 0.00 57.16 58.06 3k1q n GLU 86 Cb 0.01 -1.45 -0.01 0.00 -1.01 0.00 0.00 31.44 28.97 3k1q n GLU 86 CO 0.00 0.00 0.00 0.35 0.09 0.00 0.00 177.13 177.57 3k1q h PHE 87 N 0.00 -1.14 -0.02 -0.32 3.57 -1.22 0.03 116.94 117.83 3k1q h PHE 87 Ca 0.03 0.08 -0.15 0.00 3.53 0.00 0.00 57.97 61.46 3k1q h PHE 87 Cb 0.08 0.59 -0.02 0.00 2.79 0.00 0.00 35.95 39.40 3k1q h PHE 87 CO -0.84 -0.41 -0.68 0.82 -2.23 0.00 0.00 178.31 174.97 3k1q h ILE 88 N -0.18 1.45 -0.83 1.41 1.08 -1.08 -1.09 117.51 118.27 3k1q h ILE 88 Ca 0.21 -2.25 0.14 0.00 -0.39 0.00 0.00 64.86 62.58 3k1q h ILE 88 Cb 0.56 2.20 -0.15 0.00 -3.07 0.00 0.00 36.82 36.36 3k1q h ILE 88 CO -0.72 0.65 -0.33 -0.74 -0.69 0.00 0.00 178.15 176.32 3k1q h HIS 89 N 0.08 -0.90 0.16 1.37 2.76 -0.05 0.46 115.15 119.03 3k1q h HIS 89 Ca -0.01 0.09 0.00 0.00 -2.20 0.00 0.00 60.37 58.25 3k1q h HIS 89 Cb 1.22 0.52 -0.03 0.00 1.55 0.00 0.00 27.41 30.66 3k1q h HIS 89 CO 0.01 -0.39 -0.40 -0.44 -1.30 0.00 0.00 177.93 175.41 3k1q h ASP 90 N -0.06 -1.20 -0.66 3.26 3.32 -0.68 0.48 116.42 120.89 3k1q h ASP 90 Ca 0.32 0.12 -0.07 0.00 0.02 0.00 0.00 57.03 57.42 3k1q h ASP 90 Cb 0.59 0.43 -0.03 0.00 0.22 0.00 0.00 39.33 40.54 3k1q h ASP 90 CO -0.86 -0.45 0.14 -0.09 -1.72 0.00 0.00 179.24 176.26 3k1q h ARG 91 N -0.63 1.07 -0.81 3.56 9.65 -1.00 -2.36 114.38 123.87 3k1q h ARG 91 Ca -0.02 -0.27 0.04 0.00 -1.10 0.00 0.00 59.98 58.64 3k1q h ARG 91 Cb 0.61 -0.13 -0.05 0.00 -1.39 0.00 0.00 29.97 29.00 3k1q h ARG 91 CO -0.18 0.97 0.51 0.00 2.80 0.00 0.00 179.97 184.07 3k1q h ALA 92 N 1.06 1.08 -0.84 2.80 0.00 0.24 -1.74 119.26 121.86 3k1q h ALA 92 Ca 0.20 -0.02 0.13 0.00 0.00 0.00 0.00 54.91 55.22 3k1q h ALA 92 Cb 0.40 -0.25 -0.06 0.00 0.00 0.00 0.00 17.79 17.87 3k1q h ALA 92 CO 0.01 0.31 0.55 1.25 0.00 0.00 0.00 179.25 181.36 3k1q h LEU 93 N 0.98 0.62 -0.71 0.00 5.85 -0.66 -0.31 115.31 121.08 3k1q h LEU 93 Ca 0.34 0.03 -0.13 0.00 0.84 0.00 0.00 57.88 58.96 3k1q h LEU 93 Cb 0.06 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 3k1q h LEU 93 CO -0.13 0.33 -0.41 0.00 -0.34 0.00 0.00 178.44 177.89 3k1q h ALA 94 N 1.60 0.89 -0.11 1.25 0.00 -0.80 -3.26 119.26 118.83 3k1q h ALA 94 Ca 0.41 -0.44 -0.17 0.00 0.00 0.00 0.00 54.91 54.71 3k1q h ALA 94 Cb 0.66 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.35 3k1q h ALA 94 CO -0.17 0.64 -0.61 0.35 0.00 0.00 0.00 179.25 179.45 3k1q h PHE 95 N 0.42 0.83 -0.92 0.00 3.57 -0.57 -2.79 116.94 117.49 3k1q h PHE 95 Ca 0.04 -0.37 0.16 0.00 3.53 0.00 0.00 57.97 61.32 3k1q h PHE 95 Cb 0.90 -0.13 -0.10 0.00 2.79 0.00 0.00 35.95 39.41 3k1q h PHE 95 CO 0.03 1.17 0.51 -0.24 -2.23 0.00 0.00 178.31 177.56 3k1q h VAL 96 N 0.26 0.74 -0.70 1.41 3.04 -1.23 -0.67 116.25 119.10 3k1q h VAL 96 Ca -0.04 -0.24 -0.01 0.00 -1.01 0.00 0.00 66.70 65.40 3k1q h VAL 96 Cb 1.25 -0.03 -0.03 0.00 -2.01 0.00 0.00 31.29 30.47 3k1q h VAL 96 CO 0.13 0.13 0.41 1.23 -1.01 0.00 0.00 177.57 178.45 3k1q h GLY 97 N 0.70 1.02 0.58 3.17 0.00 -1.54 -2.00 103.07 105.00 3k1q h GLY 97 Ca 0.51 -0.44 0.04 0.00 0.00 0.00 0.00 47.33 47.44 3k1q h GLY 97 CO -0.36 0.42 -0.10 -2.08 0.00 0.00 0.00 176.54 174.41 3k1q h VAL 98 N 0.95 0.70 -0.71 4.60 2.07 -0.90 -0.42 116.25 122.54 3k1q h VAL 98 Ca 0.25 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.87 3k1q h VAL 98 Cb -0.01 0.70 -0.07 0.00 -1.52 0.00 0.00 31.29 30.39 3k1q h VAL 98 CO -0.04 0.00 0.35 -0.07 0.02 0.00 0.00 177.57 177.83 3k1q h LEU 99 N -0.12 0.45 -0.51 2.57 3.38 -0.96 -2.55 115.31 117.56 3k1q h LEU 99 Ca 0.08 0.06 -0.08 0.00 0.09 0.00 0.00 57.88 58.04 3k1q h LEU 99 Cb 0.24 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 3k1q h LEU 99 CO -0.20 0.25 0.01 0.71 0.09 0.00 0.00 178.44 179.30 3k1q h THR 100 N 0.59 1.26 -0.80 0.22 1.35 -0.54 0.32 112.91 115.31 3k1q h THR 100 Ca 0.36 -1.07 0.12 0.00 -0.55 0.00 0.00 66.41 65.26 3k1q h THR 100 Cb 0.39 0.94 -0.13 0.00 -1.73 0.00 0.00 68.15 67.62 3k1q h THR 100 CO -0.28 0.38 -0.43 -0.61 -0.25 0.00 0.00 175.52 174.33 3k1q h GLN 101 N 0.76 -0.09 -0.14 4.72 -0.00 -0.69 -2.08 115.11 117.59 3k1q h GLN 101 Ca 0.15 0.01 -0.19 0.00 -0.00 0.00 0.00 58.65 58.61 3k1q h GLN 101 Cb 0.51 0.02 -0.00 0.00 0.00 0.00 0.00 27.48 28.01 3k1q h GLN 101 CO 0.02 -0.06 -0.68 -0.09 0.00 0.00 0.00 178.83 178.02 3k1q h ARG 102 N -0.10 0.57 -4.51 1.69 9.65 -1.39 -3.44 114.38 116.85 3k1q h ARG 102 Ca 0.25 -0.43 -0.64 0.00 -1.10 0.00 0.00 59.98 58.06 3k1q h ARG 102 Cb 0.55 0.08 -0.39 0.00 -1.39 0.00 0.00 29.97 28.82 3k1q h ARG 102 CO -0.84 1.05 -0.77 0.71 2.80 0.00 0.00 179.97 182.92 3k1q s TYR 103 N -3.78 2.96 -0.28 2.20 2.02 0.11 -5.08 117.35 115.50 3k1q s TYR 103 Ca -0.07 -2.28 -0.29 0.00 -0.37 0.00 0.00 57.07 54.06 3k1q s TYR 103 Cb 0.10 -2.08 -0.02 0.00 -0.40 0.00 0.00 41.96 39.56 3k1q s TYR 103 CO 0.86 -0.87 1.76 -1.25 -1.57 0.00 0.00 175.55 174.48 3k1q s PRO 104 N 1.19 3.49 0.10 -1.71 0.04 -1.19 -4.06 135.00 132.86 3k1q s PRO 104 Ca -0.00 1.55 -0.15 0.00 0.04 0.00 0.00 61.00 62.44 3k1q s PRO 104 Cb -0.19 -4.15 0.02 0.00 0.04 0.00 0.00 34.50 30.22 3k1q s PRO 104 CO -0.08 -1.67 0.86 -0.11 0.04 0.00 0.00 177.00 176.04 3k1q n LEU 105 N 9.70 -0.51 -0.34 -3.56 7.94 -1.26 -0.72 117.00 128.25 3k1q n LEU 105 Ca 0.22 0.99 0.32 0.00 -1.11 0.00 0.00 56.01 56.42 3k1q n LEU 105 Cb 0.46 -0.16 0.56 0.00 0.53 0.00 0.00 43.42 44.81 3k1q n LEU 105 CO 0.67 -0.83 1.01 0.35 -1.11 0.00 0.00 177.39 177.48 3k1q n THR 106 N -4.74 -0.33 -0.02 1.96 -2.24 -1.26 -0.60 114.28 107.06 3k1q n THR 106 Ca 0.03 1.77 -0.13 0.00 -2.27 0.00 0.00 64.05 63.45 3k1q n THR 106 Cb 0.17 -2.89 -0.14 0.00 -2.10 0.00 0.00 70.33 65.38 3k1q n THR 106 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3k1q n GLN 107 N -4.87 0.67 -0.10 -0.78 3.00 0.10 -4.66 117.38 110.75 3k1q n GLN 107 Ca 0.35 0.27 0.10 0.00 -0.01 0.00 0.00 57.00 57.72 3k1q n GLN 107 Cb 1.26 -1.75 0.14 0.00 0.00 0.00 0.00 30.24 29.89 3k1q n GLN 107 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 3k1q n ASN 108 N -3.17 3.03 -0.03 1.08 4.13 -0.20 -4.71 115.26 115.39 3k1q n ASN 108 Ca -0.22 -1.91 0.22 0.00 1.68 0.00 0.00 54.58 54.35 3k1q n ASN 108 Cb 1.05 -0.13 0.71 0.00 -1.54 0.00 0.00 39.78 39.88 3k1q n ASN 108 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3k1q h ALA 109 N 4.03 2.52 0.00 5.41 0.00 -1.10 0.21 119.26 130.32 3k1q h ALA 109 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3k1q h ALA 109 Cb 0.89 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.73 3k1q h ALA 109 CO 0.00 -0.75 -1.11 1.04 0.00 0.00 0.00 179.25 178.43 3k1q n GLN 110 N -4.25 0.43 -2.19 0.00 1.13 -1.26 -4.62 117.38 106.62 3k1q n GLN 110 Ca 0.11 0.02 -0.42 0.00 -1.94 0.00 0.00 57.00 54.77 3k1q n GLN 110 Cb 0.69 -1.66 -0.03 0.00 0.11 0.00 0.00 30.24 29.35 3k1q n GLN 110 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 3k1q s ARG 111 N -3.29 4.27 0.73 -1.09 0.52 0.74 -4.92 118.95 115.92 3k1q s ARG 111 Ca 0.01 2.00 -0.11 0.00 -0.52 0.00 0.00 55.73 57.12 3k1q s ARG 111 Cb 0.13 -3.59 0.03 0.00 0.52 0.00 0.00 34.95 32.04 3k1q s ARG 111 CO 0.80 -0.60 1.08 0.71 0.02 0.00 0.00 175.30 177.31 3k1q s TYR 112 N 2.49 2.85 0.09 -0.53 1.51 -1.26 -3.64 117.35 118.88 3k1q s TYR 112 Ca 0.65 1.48 0.06 0.00 -1.01 0.00 0.00 57.07 58.24 3k1q s TYR 112 Cb -0.32 -2.96 -0.04 0.00 -0.11 0.00 0.00 41.96 38.53 3k1q s TYR 112 CO 0.27 -1.52 -0.04 0.99 -1.11 0.00 0.00 175.55 174.15 3k1q s THR 113 N -2.98 3.79 -0.38 -0.71 2.01 -0.85 -2.09 115.64 114.43 3k1q s THR 113 Ca 0.60 -1.09 -0.29 0.00 0.31 0.00 0.00 61.69 61.22 3k1q s THR 113 Cb -0.16 -2.79 0.01 0.00 0.01 0.00 0.00 72.50 69.58 3k1q s THR 113 CO 0.55 0.12 1.23 0.21 -0.69 0.00 0.00 174.62 176.05 3k1q s ASN 114 N -2.27 6.64 0.22 3.53 3.84 -0.98 -4.67 114.94 121.26 3k1q s ASN 114 Ca 0.24 0.89 -0.08 0.00 0.21 0.00 0.00 52.86 54.12 3k1q s ASN 114 Cb -0.11 -2.54 0.17 0.00 -0.55 0.00 0.00 41.25 38.21 3k1q s ASN 114 CO 0.17 -1.16 1.80 -0.65 -2.79 0.00 0.00 177.10 174.46 3k1q h PRO 115 N 9.33 1.20 0.17 0.43 0.11 -1.96 -0.81 132.00 140.47 3k1q h PRO 115 Ca -0.24 -0.19 -0.01 0.00 0.11 0.00 0.00 66.00 65.66 3k1q h PRO 115 Cb 1.08 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 31.99 3k1q h PRO 115 CO 1.07 0.94 -0.08 -0.07 -0.21 0.00 0.00 178.00 179.65 3k1q h LEU 116 N 1.18 -0.19 -0.66 2.35 3.38 -2.00 0.99 115.31 120.36 3k1q h LEU 116 Ca 0.28 -0.29 0.14 0.00 0.09 0.00 0.00 57.88 58.10 3k1q h LEU 116 Cb 0.16 0.05 -0.11 0.00 0.09 0.00 0.00 40.66 40.85 3k1q h LEU 116 CO -0.03 0.22 -0.01 0.58 0.09 0.00 0.00 178.44 179.29 3k1q h VAL 117 N -0.63 0.43 -0.31 1.22 2.07 -1.94 -0.37 116.25 116.72 3k1q h VAL 117 Ca -0.02 -0.04 0.07 0.00 0.82 0.00 0.00 66.70 67.53 3k1q h VAL 117 Cb 0.47 0.32 -0.08 0.00 -1.52 0.00 0.00 31.29 30.48 3k1q h VAL 117 CO 0.04 0.02 -0.24 0.25 0.02 0.00 0.00 177.57 177.66 3k1q h LEU 118 N 0.10 -0.78 -0.53 2.57 5.85 -0.80 0.19 115.31 121.92 3k1q h LEU 118 Ca 0.35 0.15 0.10 0.00 0.84 0.00 0.00 57.88 59.32 3k1q h LEU 118 Cb 0.58 0.38 -0.11 0.00 0.37 0.00 0.00 40.66 41.89 3k1q h LEU 118 CO -0.58 -0.27 -0.28 1.23 -0.34 0.00 0.00 178.44 178.20 3k1q h GLY 119 N -0.21 0.01 0.48 3.75 0.00 0.27 -2.24 103.07 105.12 3k1q h GLY 119 Ca 0.16 0.35 0.04 0.00 0.00 0.00 0.00 47.33 47.88 3k1q h GLY 119 CO -0.43 -0.22 -0.17 0.00 0.00 0.00 0.00 176.54 175.72 3k1q h ALA 120 N 1.10 -0.13 -0.22 3.60 0.00 -0.99 0.40 119.26 123.02 3k1q h ALA 120 Ca 0.23 0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.22 3k1q h ALA 120 Cb 0.52 0.33 -0.04 0.00 0.00 0.00 0.00 17.79 18.59 3k1q h ALA 120 CO -0.61 -0.63 -0.05 0.00 0.00 0.00 0.00 179.25 177.96 3k1q h ALA 121 N 0.78 0.15 -0.55 0.00 0.00 -0.06 0.28 119.26 119.86 3k1q h ALA 121 Ca 0.08 0.08 -0.12 0.00 0.00 0.00 0.00 54.91 54.96 3k1q h ALA 121 Cb 0.35 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 3k1q h ALA 121 CO -0.23 -0.47 -0.11 0.35 0.00 0.00 0.00 179.25 178.79 3k1q h PHE 122 N 0.01 1.16 0.35 0.00 3.57 -0.87 -1.52 116.94 119.64 3k1q h PHE 122 Ca 0.11 -0.24 -0.02 0.00 3.53 0.00 0.00 57.97 61.35 3k1q h PHE 122 Cb 0.16 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 38.61 3k1q h PHE 122 CO -0.23 1.07 -0.17 0.78 -2.23 0.00 0.00 178.31 177.53 3k1q h GLY 123 N 0.93 -0.50 0.59 2.40 0.00 -0.34 0.40 103.07 106.55 3k1q h GLY 123 Ca 0.14 0.18 0.05 0.00 0.00 0.00 0.00 47.33 47.71 3k1q h GLY 123 CO 0.05 -0.18 0.07 -0.55 0.00 0.00 0.00 176.54 175.93 3k1q h ASP 124 N -0.64 0.02 -0.55 0.19 3.32 -0.43 -1.23 116.42 117.10 3k1q h ASP 124 Ca -0.05 0.06 0.09 0.00 0.02 0.00 0.00 57.03 57.15 3k1q h ASP 124 Cb 0.46 0.07 -0.11 0.00 0.22 0.00 0.00 39.33 39.98 3k1q h ASP 124 CO 0.08 0.05 -0.39 0.15 -1.72 0.00 0.00 179.24 177.40 3k1q h PHE 125 N 0.19 -1.13 -1.20 4.55 3.57 -0.89 0.22 116.94 122.26 3k1q h PHE 125 Ca 0.16 0.08 0.35 0.00 3.53 0.00 0.00 57.97 62.08 3k1q h PHE 125 Cb 0.18 0.57 -0.09 0.00 2.79 0.00 0.00 35.95 39.40 3k1q h PHE 125 CO -0.18 -0.41 0.80 -0.07 -2.23 0.00 0.00 178.31 176.22 3k1q h LEU 126 N -0.22 0.27 -3.71 0.59 3.38 0.12 -3.09 115.31 112.65 3k1q h LEU 126 Ca 0.19 0.07 -0.43 0.00 0.09 0.00 0.00 57.88 57.81 3k1q h LEU 126 Cb 0.56 0.04 -0.24 0.00 0.09 0.00 0.00 40.66 41.11 3k1q h LEU 126 CO -0.66 -0.01 0.20 0.59 0.09 0.00 0.00 178.44 178.65 3k1q n ASN 127 N -4.51 4.27 -4.20 -0.43 5.03 -0.38 -5.00 115.26 110.05 3k1q n ASN 127 Ca 0.30 -3.75 -0.29 0.00 0.87 0.00 0.00 54.58 51.71 3k1q n ASN 127 Cb 1.17 -0.72 -0.07 0.00 -1.02 0.00 0.00 39.78 39.14 3k1q n ASN 127 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3k1q n ALA 128 N -1.03 -1.98 -2.47 5.41 0.00 -0.74 -5.02 120.51 114.68 3k1q n ALA 128 Ca 0.48 -0.36 -0.23 0.00 0.00 0.00 0.00 53.44 53.33 3k1q n ALA 128 Cb 1.10 -1.10 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 3k1q n ALA 128 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3k1q s ARG 129 N -7.09 1.65 0.17 0.00 0.52 0.62 -4.99 118.95 109.83 3k1q s ARG 129 Ca 0.03 -1.80 -0.32 0.00 -0.52 0.00 0.00 55.73 53.12 3k1q s ARG 129 Cb -0.02 -1.55 -0.11 0.00 0.52 0.00 0.00 34.95 33.79 3k1q s ARG 129 CO 0.96 0.20 1.72 0.45 0.02 0.00 0.00 175.30 178.65 3k1q s SER 130 N -3.50 6.44 -0.01 0.23 0.15 -1.26 -4.09 113.70 111.66 3k1q s SER 130 Ca 0.30 2.78 0.01 0.00 0.70 0.00 0.00 55.95 59.73 3k1q s SER 130 Cb -0.00 -2.59 -0.01 0.00 -1.71 0.00 0.00 66.02 61.71 3k1q s SER 130 CO 0.14 -0.95 0.00 2.30 1.20 0.00 0.00 173.24 175.93 3k1q n ILE 131 N 4.20 0.05 -0.37 6.45 -6.64 -1.26 -4.77 119.36 117.02 3k1q n ILE 131 Ca 0.16 -0.03 0.28 0.00 -1.77 0.00 0.00 62.75 61.39 3k1q n ILE 131 Cb 0.37 -0.96 0.55 0.00 -1.44 0.00 0.00 39.64 38.16 3k1q n ILE 131 CO 0.00 0.00 0.00 0.44 -1.77 0.00 0.00 176.55 175.22 3k1q h ASP 132 N 0.00 0.39 -0.23 7.28 3.32 -1.97 -2.23 116.42 122.98 3k1q h ASP 132 Ca -0.02 0.13 0.05 0.00 0.02 0.00 0.00 57.03 57.22 3k1q h ASP 132 Cb 1.03 0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.65 3k1q h ASP 132 CO 0.00 -0.08 0.16 -0.29 -1.72 0.00 0.00 179.24 177.31 3k1q h ILE 133 N 0.26 0.93 0.00 0.35 6.09 -2.01 -1.57 117.51 121.55 3k1q h ILE 133 Ca 0.72 -0.03 -0.09 0.00 -1.37 0.00 0.00 64.86 64.10 3k1q h ILE 133 Cb 1.95 0.84 -0.01 0.00 0.47 0.00 0.00 36.82 40.07 3k1q h ILE 133 CO -0.43 0.01 -0.41 -0.26 -3.07 0.00 0.00 178.15 173.99 3k1q h PHE 134 N 0.08 0.00 -0.07 2.19 0.04 -1.75 -3.32 116.94 114.10 3k1q h PHE 134 Ca 0.10 0.00 0.02 0.00 2.80 0.00 0.00 57.97 60.89 3k1q h PHE 134 Cb 0.32 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.47 3k1q h PHE 134 CO -0.00 0.41 0.08 -0.07 -0.60 0.00 0.00 178.31 178.13 3k1q h LEU 135 N 0.00 0.00 -2.66 1.54 3.38 -1.43 -0.86 115.31 115.28 3k1q h LEU 135 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3k1q h LEU 135 Cb 0.83 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.58 3k1q h LEU 135 CO 0.05 0.00 0.00 0.44 0.09 0.00 0.00 178.44 179.02 3k1q h ASP 136 N 0.00 0.00 0.00 -0.43 3.32 -1.78 0.95 116.42 118.48 3k1q h ASP 136 Ca 0.03 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.08 3k1q h ASP 136 Cb 0.20 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 3k1q h ASP 136 CO -0.00 0.00 -0.12 0.54 -1.72 0.00 0.00 179.24 177.94 3k1q n ARG 137 N -3.04 1.18 0.03 3.56 5.12 -0.33 -4.81 116.66 118.37 3k1q n ARG 137 Ca -0.02 -2.51 -0.13 0.00 -1.93 0.00 0.00 57.85 53.26 3k1q n ARG 137 Cb 0.11 -1.40 -0.09 0.00 -1.16 0.00 0.00 32.46 29.92 3k1q n ARG 137 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 3k1q h LEU 138 N 0.13 -0.07 -9.03 0.55 5.85 -0.74 -3.40 115.31 108.61 3k1q h LEU 138 Ca -0.00 -0.33 -0.57 0.00 0.84 0.00 0.00 57.88 57.82 3k1q h LEU 138 Cb 1.05 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.09 3k1q h LEU 138 CO 0.00 0.30 1.36 0.12 -0.34 0.00 0.00 178.44 179.88 3k1q s PHE 139 N -4.73 1.43 -0.12 1.25 5.36 -1.26 -2.32 117.98 117.60 3k1q s PHE 139 Ca -0.15 0.39 -0.06 0.00 -0.96 0.00 0.00 56.93 56.15 3k1q s PHE 139 Cb 0.03 -4.03 0.05 0.00 -0.34 0.00 0.00 43.02 38.73 3k1q s PHE 139 CO 0.65 -3.97 0.27 -0.47 -1.46 0.00 0.00 175.22 170.24 3k1q s TYR 140 N 6.97 -0.38 -0.37 10.12 5.04 -0.89 -4.93 117.35 132.92 3k1q s TYR 140 Ca 0.91 0.88 -0.22 0.00 -2.44 0.00 0.00 57.07 56.19 3k1q s TYR 140 Cb -0.32 0.07 0.01 0.00 0.35 0.00 0.00 41.96 42.08 3k1q s TYR 140 CO 0.35 -0.26 0.73 0.34 -1.34 0.00 0.00 175.55 175.37 3k1q s ASP 141 N 1.37 6.50 0.54 4.32 3.68 -1.26 -2.97 116.67 128.85 3k1q s ASP 141 Ca -0.09 0.24 0.33 0.00 2.13 0.00 0.00 52.55 55.17 3k1q s ASP 141 Cb -0.10 -2.37 1.50 0.00 -1.45 0.00 0.00 42.92 40.50 3k1q s ASP 141 CO -0.09 -0.70 1.86 1.55 0.13 0.00 0.00 175.17 177.92 3k1q h PRO 142 N 8.51 0.00 -1.08 4.34 0.13 -1.93 -2.39 132.00 139.58 3k1q h PRO 142 Ca -0.25 0.00 0.31 0.00 -0.87 0.00 0.00 66.00 65.19 3k1q h PRO 142 Cb 1.10 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.19 3k1q h PRO 142 CO 0.89 0.00 0.95 1.79 -0.23 0.00 0.00 178.00 181.40 3k1q h THR 143 N 0.00 0.22 -3.68 1.56 1.35 -2.02 -3.35 112.91 106.99 3k1q h THR 143 Ca 0.46 0.00 -0.65 0.00 -0.55 0.00 0.00 66.41 65.67 3k1q h THR 143 Cb 1.87 0.29 -0.39 0.00 -1.73 0.00 0.00 68.15 68.19 3k1q h THR 143 CO -0.00 0.00 -0.75 -1.10 -0.25 0.00 0.00 175.52 173.42 3k1q s GLN 144 N -4.70 1.61 -1.18 4.72 -1.52 -0.90 -5.04 119.66 112.64 3k1q s GLN 144 Ca -0.04 -1.58 -0.08 0.00 -1.95 0.00 0.00 55.36 51.70 3k1q s GLN 144 Cb 0.19 -2.95 0.23 0.00 -0.22 0.00 0.00 33.01 30.26 3k1q s GLN 144 CO 0.66 -0.82 1.57 -0.25 -0.25 0.00 0.00 175.29 176.20 3k1q n ASP 145 N 4.39 5.63 -3.18 5.90 9.92 -1.26 -4.79 116.55 133.16 3k1q n ASP 145 Ca -0.03 -3.18 -0.22 0.00 -0.53 0.00 0.00 54.79 50.83 3k1q n ASP 145 Cb 0.42 -1.41 -0.06 0.00 -0.64 0.00 0.00 41.12 39.44 3k1q n ASP 145 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 3k1q n SER 146 N 3.13 0.26 0.22 -2.24 2.88 -1.26 -4.92 113.62 111.68 3k1q n SER 146 Ca 0.32 -2.80 0.06 0.00 -1.33 0.00 0.00 58.87 55.13 3k1q n SER 146 Cb 0.37 -0.56 0.54 0.00 -0.75 0.00 0.00 64.21 63.81 3k1q n SER 146 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 3k1q h PRO 147 N 3.72 0.05 -1.07 -1.46 0.13 -1.98 -3.20 132.00 128.21 3k1q h PRO 147 Ca 0.07 -0.01 0.42 0.00 -0.87 0.00 0.00 66.00 65.62 3k1q h PRO 147 Cb 0.91 -0.01 -0.16 0.00 0.13 0.00 0.00 31.00 31.87 3k1q h PRO 147 CO 0.47 0.14 0.61 -0.89 -0.23 0.00 0.00 178.00 178.09 3k1q n ILE 148 N -4.42 -0.36 0.05 -3.56 5.41 -1.26 -2.47 119.36 112.76 3k1q n ILE 148 Ca -0.02 1.90 -0.14 0.00 1.00 0.00 0.00 62.75 65.49 3k1q n ILE 148 Cb 0.17 -3.10 -0.08 0.00 -0.71 0.00 0.00 39.64 35.92 3k1q n ILE 148 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 176.55 177.26 3k1q h THR 149 N 0.00 0.08 0.00 1.39 1.35 -1.81 -3.34 112.91 110.58 3k1q h THR 149 Ca 0.83 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.69 3k1q h THR 149 Cb 2.33 0.08 0.00 0.00 -1.73 0.00 0.00 68.15 68.83 3k1q h THR 149 CO -0.67 0.00 -1.45 0.00 -0.25 0.00 0.00 175.52 173.15 3k1q n ALA 150 N -2.93 2.62 -2.81 6.62 0.00 -1.20 -4.83 120.51 117.97 3k1q n ALA 150 Ca -0.06 -0.31 -0.43 0.00 0.00 0.00 0.00 53.44 52.64 3k1q n ALA 150 Cb 0.38 -0.44 -0.01 0.00 0.00 0.00 0.00 19.45 19.39 3k1q n ALA 150 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3k1q s ILE 151 N -2.79 4.59 -2.38 0.00 1.01 -1.03 -4.68 121.20 115.93 3k1q s ILE 151 Ca -0.03 -1.89 0.25 0.00 0.00 0.00 0.00 60.65 58.97 3k1q s ILE 151 Cb 0.08 -4.95 0.23 0.00 0.01 0.00 0.00 42.46 37.83 3k1q s ILE 151 CO 0.53 -1.72 1.37 0.35 0.00 0.00 0.00 174.94 175.47 3k1q n THR 152 N 5.57 0.00 0.00 2.92 -2.24 -1.18 -3.80 114.28 115.55 3k1q n THR 152 Ca 0.35 -0.31 0.00 0.00 -2.27 0.00 0.00 64.05 61.82 3k1q n THR 152 Cb 0.47 1.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.70 3k1q n THR 152 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 3k1q n LYS 153 N 0.32 0.00 0.00 -0.78 4.81 -0.94 -3.65 118.16 117.93 3k1q n LYS 153 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.57 3k1q n LYS 153 Cb 0.46 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.51 3k1q n LYS 153 CO 0.00 0.00 0.00 1.19 1.17 0.00 0.00 177.40 179.76 3k1q n PHE 154 N 0.00 0.00 -4.05 5.64 3.01 -1.26 -4.60 117.46 116.20 3k1q n PHE 154 Ca 0.00 0.00 -0.23 0.00 1.01 0.00 0.00 57.45 58.23 3k1q n PHE 154 Cb 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 39.43 3k1q n PHE 154 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 3k1q s PRO 155 N 0.00 3.10 -0.55 -1.08 0.04 -1.26 -5.03 135.00 130.22 3k1q s PRO 155 Ca 0.00 -0.88 0.06 0.00 0.04 0.00 0.00 61.00 60.22 3k1q s PRO 155 Cb 0.00 -2.71 0.34 0.00 0.04 0.00 0.00 34.50 32.18 3k1q s PRO 155 CO 0.00 0.45 0.93 0.66 0.04 0.00 0.00 177.00 179.08 3k1q n TYR 156 N -0.91 3.63 0.00 0.56 4.02 -1.23 -4.52 117.16 118.70 3k1q n TYR 156 Ca -0.08 -3.94 0.00 0.00 -0.01 0.00 0.00 57.90 53.87 3k1q n TYR 156 Cb 0.56 -0.47 0.00 0.00 -0.02 0.00 0.00 39.34 39.42 3k1q n TYR 156 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 176.86 176.79 3k1q n GLN 157 N -0.20 0.00 0.23 -0.72 0.00 -1.26 -4.86 117.38 110.57 3k1q n GLN 157 Ca 0.31 0.00 0.10 0.00 -0.00 0.00 0.00 57.00 57.40 3k1q n GLN 157 Cb 0.43 0.00 0.50 0.00 0.00 0.00 0.00 30.24 31.17 3k1q n GLN 157 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.06 177.17 3k1q h TRP 158 N 0.00 0.00 -4.28 3.69 5.08 -1.96 -3.47 115.95 115.01 3k1q h TRP 158 Ca 0.00 0.00 -0.58 0.00 1.08 0.00 0.00 58.89 59.39 3k1q h TRP 158 Cb 0.00 0.00 -0.28 0.00 -3.00 0.00 0.00 29.16 25.88 3k1q h TRP 158 CO 0.00 0.22 -0.84 -0.08 -1.28 0.00 0.00 178.44 176.46 3k1q s THR 159 N -3.77 1.59 -0.61 0.12 -1.32 -1.26 -1.30 115.64 109.09 3k1q s THR 159 Ca -0.00 -1.01 0.04 0.00 -1.21 0.00 0.00 61.69 59.51 3k1q s THR 159 Cb 0.11 -1.35 0.16 0.00 -1.51 0.00 0.00 72.50 69.91 3k1q s THR 159 CO 0.63 0.32 0.40 -0.63 -2.21 0.00 0.00 174.62 173.13 3k1q s ILE 160 N -0.63 2.38 0.12 5.08 1.01 -1.13 -3.58 121.20 124.46 3k1q s ILE 160 Ca 0.07 -3.72 -0.17 0.00 0.00 0.00 0.00 60.65 56.84 3k1q s ILE 160 Cb -0.08 -2.60 -0.07 0.00 0.01 0.00 0.00 42.46 39.72 3k1q s ILE 160 CO 0.00 -0.98 0.57 1.51 0.00 0.00 0.00 174.94 176.05 3k1q s ASP 161 N -0.85 6.96 -1.00 3.58 1.47 -1.26 -1.43 116.67 124.14 3k1q s ASP 161 Ca 0.23 1.19 -0.10 0.00 1.18 0.00 0.00 52.55 55.06 3k1q s ASP 161 Cb -0.10 -2.33 -0.07 0.00 -0.34 0.00 0.00 42.92 40.07 3k1q s ASP 161 CO -0.12 0.18 2.18 -1.54 0.68 0.00 0.00 175.17 176.55 3k1q n SER 162 N 1.23 4.85 0.00 2.11 3.41 -0.46 -4.80 113.62 119.97 3k1q n SER 162 Ca -0.07 -2.45 0.00 0.00 -0.26 0.00 0.00 58.87 56.09 3k1q n SER 162 Cb 0.51 -1.18 0.00 0.00 -0.26 0.00 0.00 64.21 63.28 3k1q n SER 162 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3k1q n ASN 163 N 4.87 0.00 0.12 4.04 4.13 -1.26 -1.88 115.26 125.28 3k1q n ASN 163 Ca 0.50 0.00 0.11 0.00 1.68 0.00 0.00 54.58 56.87 3k1q n ASN 163 Cb 0.21 0.00 0.48 0.00 -1.54 0.00 0.00 39.78 38.93 3k1q n ASN 163 CO 0.00 0.00 0.00 1.33 0.28 0.00 0.00 177.26 178.87 3k1q n VAL 164 N 0.00 0.91 -1.67 2.41 0.24 -1.24 -2.21 118.33 116.78 3k1q n VAL 164 Ca 0.00 0.34 -0.07 0.00 -2.04 0.00 0.00 64.34 62.57 3k1q n VAL 164 Cb 0.00 -1.27 -0.02 0.00 -1.47 0.00 0.00 33.84 31.09 3k1q n VAL 164 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 3k1q n THR 165 N -2.17 -0.16 0.07 3.34 -1.04 -0.79 -4.43 114.28 109.10 3k1q n THR 165 Ca 0.01 0.00 0.16 0.00 -2.04 0.00 0.00 64.05 62.18 3k1q n THR 165 Cb 0.18 -1.12 0.66 0.00 -1.82 0.00 0.00 70.33 68.22 3k1q n THR 165 CO 0.00 0.00 0.00 0.71 -0.64 0.00 0.00 175.07 175.14 3k1q h THR 166 N 0.00 0.83 0.06 12.58 1.35 -1.90 -1.91 112.91 123.92 3k1q h THR 166 Ca -0.14 -0.01 -0.35 0.00 -0.55 0.00 0.00 66.41 65.35 3k1q h THR 166 Cb 0.78 0.79 -0.04 0.00 -1.73 0.00 0.00 68.15 67.94 3k1q h THR 166 CO 0.19 0.01 -2.07 -0.67 -0.25 0.00 0.00 175.52 172.73 3k1q n ASP 167 N -4.43 1.57 -3.63 5.36 2.03 -1.26 -4.78 116.55 111.41 3k1q n ASP 167 Ca 0.06 0.17 -0.03 0.00 0.52 0.00 0.00 54.79 55.50 3k1q n ASP 167 Cb 0.43 -0.39 -0.03 0.00 -0.72 0.00 0.00 41.12 40.41 3k1q n ASP 167 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 3k1q s SER 168 N -6.55 -0.08 -0.26 1.67 1.04 -0.72 -4.00 113.70 104.79 3k1q s SER 168 Ca -0.19 0.06 0.01 0.00 0.48 0.00 0.00 55.95 56.30 3k1q s SER 168 Cb 0.07 0.08 0.08 0.00 0.10 0.00 0.00 66.02 66.35 3k1q s SER 168 CO 0.76 -0.10 0.01 0.54 0.98 0.00 0.00 173.24 175.42 3k1q s VAL 169 N -1.48 1.38 0.48 5.02 0.11 -0.67 -1.35 120.40 123.89 3k1q s VAL 169 Ca 0.08 -1.37 -0.23 0.00 -2.93 0.00 0.00 61.98 57.54 3k1q s VAL 169 Cb -0.01 -1.82 -0.07 0.00 -1.53 0.00 0.00 36.38 32.95 3k1q s VAL 169 CO -0.05 -0.33 1.26 -0.60 -3.33 0.00 0.00 175.10 172.05 3k1q s ARG 170 N 1.42 3.56 -0.02 1.54 3.00 -0.51 -2.15 118.95 125.78 3k1q s ARG 170 Ca 0.01 2.01 0.03 0.00 -1.00 0.00 0.00 55.73 56.78 3k1q s ARG 170 Cb -0.18 -2.40 -0.00 0.00 0.00 0.00 0.00 34.95 32.36 3k1q s ARG 170 CO -0.11 -0.79 -0.11 0.99 0.00 0.00 0.00 175.30 175.28 3k1q s THR 171 N -1.41 0.93 0.09 4.11 2.01 -0.73 -2.83 115.64 117.81 3k1q s THR 171 Ca 0.66 -0.46 -0.28 0.00 0.31 0.00 0.00 61.69 61.92 3k1q s THR 171 Cb -0.35 -0.81 -0.15 0.00 0.01 0.00 0.00 72.50 71.20 3k1q s THR 171 CO 0.42 0.28 0.63 -1.54 -0.69 0.00 0.00 174.62 173.72 3k1q n SER 172 N 3.11 -0.59 -4.55 3.53 3.41 -0.42 -2.13 113.62 115.99 3k1q n SER 172 Ca -0.17 0.95 -0.13 0.00 -0.26 0.00 0.00 58.87 59.26 3k1q n SER 172 Cb 0.55 -0.78 -0.10 0.00 -0.26 0.00 0.00 64.21 63.62 3k1q n SER 172 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3k1q n ALA 173 N 0.54 0.29 -1.07 7.33 0.00 -1.26 -4.71 120.51 121.63 3k1q n ALA 173 Ca 0.16 -1.78 -0.12 0.00 0.00 0.00 0.00 53.44 51.70 3k1q n ALA 173 Cb 0.15 -3.19 -0.06 0.00 0.00 0.00 0.00 19.45 16.35 3k1q n ALA 173 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k1q n GLY 174 N 6.36 -0.04 3.83 0.00 0.00 -1.24 -4.55 105.19 109.55 3k1q n GLY 174 Ca 0.43 -0.15 -0.37 0.00 0.00 0.00 0.00 46.02 45.94 3k1q n GLY 174 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k1q n LYS 176 N 1.11 0.14 -3.03 0.00 3.00 0.06 -4.70 118.16 114.74 3k1q n LYS 176 Ca -0.07 0.06 -0.45 0.00 -0.00 0.00 0.00 58.31 57.86 3k1q n LYS 176 Cb 0.51 -0.74 -0.02 0.00 0.00 0.00 0.00 35.03 34.77 3k1q n LYS 176 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.40 178.11 3k1q s TYR 177 N -2.19 3.27 -0.66 5.64 1.51 -0.88 -2.20 117.35 121.85 3k1q s TYR 177 Ca -0.09 -1.52 -0.26 0.00 -1.01 0.00 0.00 57.07 54.20 3k1q s TYR 177 Cb 0.02 -4.16 0.04 0.00 -0.11 0.00 0.00 41.96 37.75 3k1q s TYR 177 CO 0.12 -1.36 1.16 0.42 -1.11 0.00 0.00 175.55 174.78 3k1q s ILE 178 N 2.06 3.98 0.50 2.71 -1.09 -0.48 -3.76 121.20 125.13 3k1q s ILE 178 Ca 0.28 0.36 -0.22 0.00 -2.23 0.00 0.00 60.65 58.84 3k1q s ILE 178 Cb -0.07 -4.78 -0.08 0.00 -1.58 0.00 0.00 42.46 35.95 3k1q s ILE 178 CO -0.09 -1.57 1.00 1.07 -1.23 0.00 0.00 174.94 174.12 3k1q n THR 179 N 6.34 2.97 -4.52 2.92 5.66 -1.26 -1.25 114.28 125.13 3k1q n THR 179 Ca 0.03 -0.50 -0.34 0.00 -3.05 0.00 0.00 64.05 60.19 3k1q n THR 179 Cb 0.48 -1.19 -0.11 0.00 -1.55 0.00 0.00 70.33 67.97 3k1q n THR 179 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 3k1q s LEU 180 N -1.25 3.29 0.00 1.09 1.43 0.06 -4.88 118.68 118.42 3k1q s LEU 180 Ca 0.68 0.01 0.00 0.00 -1.03 0.00 0.00 54.13 53.79 3k1q s LEU 180 Cb -0.49 -1.76 0.00 0.00 0.03 0.00 0.00 46.19 43.98 3k1q s LEU 180 CO 0.53 0.35 0.00 0.00 0.23 0.00 0.00 176.35 177.46 3k1q n TYR 181 N 2.07 0.00 0.33 0.29 9.36 -1.26 -0.32 117.16 127.63 3k1q n TYR 181 Ca -0.18 0.00 0.19 0.00 3.32 0.00 0.00 57.90 61.23 3k1q n TYR 181 Cb 0.53 0.00 1.01 0.00 -0.63 0.00 0.00 39.34 40.25 3k1q n TYR 181 CO 0.00 0.00 0.00 0.78 0.22 0.00 0.00 176.86 177.86 3k1q h GLY 182 N 0.00 0.00 -7.53 2.98 0.00 -1.89 -3.38 103.07 93.25 3k1q h GLY 182 Ca 0.00 0.00 -0.73 0.00 0.00 0.00 0.00 47.33 46.60 3k1q h GLY 182 CO 0.00 0.00 0.45 -0.47 0.00 0.00 0.00 176.54 176.52 3k1q s TYR 183 N -4.14 3.32 0.00 5.60 5.04 0.56 -4.66 117.35 123.08 3k1q s TYR 183 Ca -0.04 -1.52 0.00 0.00 -2.44 0.00 0.00 57.07 53.07 3k1q s TYR 183 Cb 0.11 -4.08 0.00 0.00 0.35 0.00 0.00 41.96 38.34 3k1q s TYR 183 CO 0.35 -1.29 0.00 -0.25 -1.34 0.00 0.00 175.55 173.02 3k1q n ASP 184 N 5.62 4.22 -4.77 4.32 8.00 -1.26 -4.76 116.55 127.93 3k1q n ASP 184 Ca 0.15 0.00 -0.39 0.00 0.71 0.00 0.00 54.79 55.26 3k1q n ASP 184 Cb 0.47 0.18 -0.06 0.00 -0.02 0.00 0.00 41.12 41.69 3k1q n ASP 184 CO 0.00 0.00 0.00 -2.84 -0.39 0.00 0.00 177.20 173.97 3k1q s PRO 185 N -1.97 4.30 -0.34 -0.24 0.02 -1.26 -4.97 135.00 130.53 3k1q s PRO 185 Ca 0.00 0.73 -0.37 0.00 0.02 0.00 0.00 61.00 61.37 3k1q s PRO 185 Cb 0.00 -3.33 -0.13 0.00 0.02 0.00 0.00 34.50 31.06 3k1q s PRO 185 CO 0.00 0.41 2.07 -1.13 -0.33 0.00 0.00 177.00 178.02 3k1q n SER 186 N 2.59 2.05 -4.24 2.53 3.41 -1.26 -4.98 113.62 113.73 3k1q n SER 186 Ca -0.07 0.62 -0.32 0.00 -0.26 0.00 0.00 58.87 58.83 3k1q n SER 186 Cb 0.51 -1.19 -0.16 0.00 -0.26 0.00 0.00 64.21 63.10 3k1q n SER 186 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 3k1q s ARG 187 N 5.52 3.10 0.56 4.33 3.52 -1.26 -5.06 118.95 129.67 3k1q s ARG 187 Ca 1.08 -0.84 0.30 0.00 -0.13 0.00 0.00 55.73 56.13 3k1q s ARG 187 Cb -0.99 -2.37 1.69 0.00 -1.56 0.00 0.00 34.95 31.72 3k1q s ARG 187 CO 0.55 0.16 2.18 -1.35 -0.81 0.00 0.00 175.30 176.03 3k1q h PRO 188 N 6.79 0.00 -1.01 5.12 0.11 -1.99 -3.29 132.00 137.73 3k1q h PRO 188 Ca -0.22 0.00 -0.57 0.00 0.11 0.00 0.00 66.00 65.33 3k1q h PRO 188 Cb 1.23 0.00 -0.29 0.00 0.11 0.00 0.00 31.00 32.05 3k1q h PRO 188 CO 0.49 0.05 0.73 -1.13 -0.21 0.00 0.00 178.00 177.93 3k1q n SER 189 N -3.71 5.24 -4.61 -2.05 3.41 -1.26 -2.73 113.62 107.91 3k1q n SER 189 Ca -0.02 -3.64 -0.23 0.00 -0.26 0.00 0.00 58.87 54.71 3k1q n SER 189 Cb 0.15 -0.89 -0.08 0.00 -0.26 0.00 0.00 64.21 63.13 3k1q n SER 189 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3k1q s THR 190 N -3.79 3.16 0.54 6.66 -4.23 -1.24 -4.98 115.64 111.77 3k1q s THR 190 Ca 0.59 -2.02 -0.21 0.00 -1.18 0.00 0.00 61.69 58.86 3k1q s THR 190 Cb 0.48 -2.73 -0.05 0.00 1.34 0.00 0.00 72.50 71.54 3k1q s THR 190 CO 0.06 -0.36 1.27 -2.84 -0.54 0.00 0.00 174.62 172.21 3k1q s PRO 191 N -3.65 3.24 -1.24 3.99 0.02 -1.26 -1.40 135.00 134.70 3k1q s PRO 191 Ca 0.32 2.01 -0.19 0.00 0.02 0.00 0.00 61.00 63.15 3k1q s PRO 191 Cb -0.06 -2.20 0.00 0.00 0.02 0.00 0.00 34.50 32.27 3k1q s PRO 191 CO 0.19 -1.04 1.88 0.00 -0.33 0.00 0.00 177.00 177.69 3k1q n ALA 192 N -1.06 3.29 0.02 -1.55 0.00 0.99 -4.71 120.51 117.49 3k1q n ALA 192 Ca 0.11 -3.57 0.09 0.00 0.00 0.00 0.00 53.44 50.07 3k1q n ALA 192 Cb 0.47 -3.56 0.51 0.00 0.00 0.00 0.00 19.45 16.87 3k1q n ALA 192 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 3k1q h THR 193 N 5.44 0.98 -4.15 0.00 1.35 -1.92 -3.47 112.91 111.14 3k1q h THR 193 Ca 0.40 -0.12 -0.12 0.00 -0.55 0.00 0.00 66.41 66.01 3k1q h THR 193 Cb 0.84 0.59 -0.01 0.00 -1.73 0.00 0.00 68.15 67.85 3k1q h THR 193 CO 1.49 0.06 -0.15 -1.22 -0.25 0.00 0.00 175.52 175.45 3k1q n TYR 194 N -4.48 -1.61 -3.31 4.73 4.01 -1.26 -1.36 117.16 113.89 3k1q n TYR 194 Ca 0.05 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.56 3k1q n TYR 194 Cb 0.22 -1.86 -0.00 0.00 -0.31 0.00 0.00 39.34 37.39 3k1q n TYR 194 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3k1q n GLY 195 N -0.60 -0.49 2.76 2.72 0.00 -1.26 -4.86 105.19 103.46 3k1q n GLY 195 Ca -0.07 0.09 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 3k1q n GLY 195 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3k1q n LYS 196 N -3.70 3.83 -0.62 1.61 5.02 -0.46 -3.35 118.16 120.50 3k1q n LYS 196 Ca -0.02 -3.47 -0.01 0.00 -2.02 0.00 0.00 58.31 52.79 3k1q n LYS 196 Cb 0.55 -2.86 -0.01 0.00 -0.02 0.00 0.00 35.03 32.68 3k1q n LYS 196 CO 0.00 0.00 0.00 -2.39 -0.52 0.00 0.00 177.40 174.49 3k1q n HIS 197 N 3.41 0.00 -4.16 2.13 1.44 -1.25 -0.76 115.22 116.04 3k1q n HIS 197 Ca 0.46 -0.10 -0.26 0.00 -2.01 0.00 0.00 57.72 55.81 3k1q n HIS 197 Cb 0.33 0.24 -0.07 0.00 0.12 0.00 0.00 29.99 30.61 3k1q n HIS 197 CO 0.00 0.00 0.00 1.03 -2.81 0.00 0.00 176.34 174.56 3k1q s ARG 198 N 0.00 2.62 0.06 -1.40 0.52 -1.21 -4.81 118.95 114.73 3k1q s ARG 198 Ca 0.01 -1.02 -0.38 0.00 -0.52 0.00 0.00 55.73 53.82 3k1q s ARG 198 Cb 0.01 -2.47 -0.21 0.00 0.52 0.00 0.00 34.95 32.80 3k1q s ARG 198 CO -0.01 0.46 1.57 -1.35 0.02 0.00 0.00 175.30 176.00 3k1q h PRO 199 N 2.51 -1.28 -5.36 3.54 0.11 -1.89 -3.37 132.00 126.25 3k1q h PRO 199 Ca -0.47 0.09 -0.09 0.00 0.11 0.00 0.00 66.00 65.63 3k1q h PRO 199 Cb 1.20 0.29 -0.00 0.00 0.11 0.00 0.00 31.00 32.60 3k1q h PRO 199 CO 0.60 -0.86 0.36 0.25 -0.21 0.00 0.00 178.00 178.15 3k1q n THR 200 N -5.67 -0.01 0.00 -1.15 -2.24 -1.26 -4.70 114.28 99.25 3k1q n THR 200 Ca -0.17 -0.54 0.00 0.00 -2.27 0.00 0.00 64.05 61.07 3k1q n THR 200 Cb 0.53 -2.02 0.00 0.00 -2.10 0.00 0.00 70.33 66.73 3k1q n THR 200 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3k1q n TYR 201 N 17.72 0.00 -3.63 4.78 4.19 -1.26 -4.87 117.16 134.10 3k1q n TYR 201 Ca 0.47 0.00 0.02 0.00 3.31 0.00 0.00 57.90 61.69 3k1q n TYR 201 Cb 0.43 0.00 -0.06 0.00 0.49 0.00 0.00 39.34 40.20 3k1q n TYR 201 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 3k1q s ALA 202 N -2.00 -2.62 -0.19 2.98 0.00 -1.26 -2.23 121.76 116.44 3k1q s ALA 202 Ca 0.00 2.02 -0.29 0.00 0.00 0.00 0.00 51.96 53.69 3k1q s ALA 202 Cb 0.00 -1.95 -0.03 0.00 0.00 0.00 0.00 23.12 21.14 3k1q s ALA 202 CO 0.00 -0.35 1.55 0.95 0.00 0.00 0.00 175.76 177.91 3k1q s THR 203 N 1.14 3.79 -1.24 0.00 -4.23 -0.54 -4.17 115.64 110.40 3k1q s THR 203 Ca -0.08 0.92 -0.14 0.00 -1.18 0.00 0.00 61.69 61.20 3k1q s THR 203 Cb -0.02 -3.74 0.15 0.00 1.34 0.00 0.00 72.50 70.22 3k1q s THR 203 CO -0.11 -0.25 1.54 0.52 -0.54 0.00 0.00 174.62 175.78 3k1q n VAL 204 N 6.08 4.18 -2.81 2.29 0.31 -0.90 -2.07 118.33 125.40 3k1q n VAL 204 Ca 0.17 -4.55 -0.42 0.00 -0.01 0.00 0.00 64.34 59.53 3k1q n VAL 204 Cb 0.45 -2.44 -0.04 0.00 -0.91 0.00 0.00 33.84 30.91 3k1q n VAL 204 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 3k1q s PHE 205 N 2.14 3.16 0.05 3.52 0.40 -0.20 -1.78 117.98 125.27 3k1q s PHE 205 Ca 0.45 0.94 -0.03 0.00 -0.60 0.00 0.00 56.93 57.70 3k1q s PHE 205 Cb -0.00 -3.47 -0.04 0.00 0.51 0.00 0.00 43.02 40.01 3k1q s PHE 205 CO 0.02 -0.69 0.24 0.71 0.70 0.00 0.00 175.22 176.20 3k1q s TYR 206 N 3.31 3.53 -0.02 0.36 1.51 -0.91 -0.20 117.35 124.93 3k1q s TYR 206 Ca 0.38 0.39 0.03 0.00 -1.01 0.00 0.00 57.07 56.86 3k1q s TYR 206 Cb -0.13 -1.86 -0.00 0.00 -0.11 0.00 0.00 41.96 39.86 3k1q s TYR 206 CO 0.15 0.58 -0.10 1.52 -1.11 0.00 0.00 175.55 176.59 3k1q s TYR 207 N -1.45 0.96 0.14 2.71 -0.85 0.67 -1.68 117.35 117.85 3k1q s TYR 207 Ca 0.33 -0.21 -0.18 0.00 -0.52 0.00 0.00 57.07 56.48 3k1q s TYR 207 Cb -0.13 -0.65 0.00 0.00 0.38 0.00 0.00 41.96 41.56 3k1q s TYR 207 CO 0.23 -0.06 1.73 0.66 -1.52 0.00 0.00 175.55 176.59 3k1q h SER 208 N 6.15 -0.02 -5.35 -0.18 4.64 -1.86 -3.39 113.55 113.53 3k1q h SER 208 Ca -0.32 0.05 -0.16 0.00 -0.47 0.00 0.00 61.79 60.88 3k1q h SER 208 Cb 1.17 0.07 -0.07 0.00 -0.31 0.00 0.00 62.40 63.26 3k1q h SER 208 CO 0.49 0.02 -0.11 0.42 -0.87 0.00 0.00 176.83 176.78 3k1q s THR 209 N -6.18 0.00 0.14 2.95 -4.23 -1.26 -4.97 115.64 102.09 3k1q s THR 209 Ca -0.13 -1.46 -0.22 0.00 -1.18 0.00 0.00 61.69 58.70 3k1q s THR 209 Cb 0.11 -2.52 0.01 0.00 1.34 0.00 0.00 72.50 71.44 3k1q s THR 209 CO 0.69 0.00 1.65 0.25 -0.54 0.00 0.00 174.62 176.68 3k1q h LEU 210 N 2.16 -0.58 -1.28 4.79 6.46 -1.99 -0.69 115.31 124.18 3k1q h LEU 210 Ca -0.28 0.11 -0.07 0.00 -0.12 0.00 0.00 57.88 57.52 3k1q h LEU 210 Cb 1.25 0.28 -0.01 0.00 -0.73 0.00 0.00 40.66 41.45 3k1q h LEU 210 CO 0.38 -0.22 -0.35 1.55 -0.62 0.00 0.00 178.44 179.18 3k1q h PRO 211 N -0.19 0.00 -0.08 5.25 0.13 -1.99 -1.26 132.00 133.86 3k1q h PRO 211 Ca 0.12 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 65.29 3k1q h PRO 211 Cb 0.38 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.47 3k1q h PRO 211 CO -0.32 0.35 -0.16 0.00 -0.23 0.00 0.00 178.00 177.64 3k1q h ALA 212 N 1.65 -0.12 -0.56 -0.56 0.00 -1.74 -1.27 119.26 116.66 3k1q h ALA 212 Ca -0.00 0.03 0.11 0.00 0.00 0.00 0.00 54.91 55.05 3k1q h ALA 212 Cb 0.67 0.30 -0.09 0.00 0.00 0.00 0.00 17.79 18.67 3k1q h ALA 212 CO 0.05 -0.62 0.03 -0.09 0.00 0.00 0.00 179.25 178.61 3k1q h ARG 213 N -0.22 0.15 -0.89 0.00 2.43 -0.58 -2.05 114.38 113.22 3k1q h ARG 213 Ca 0.08 -0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.27 3k1q h ARG 213 Cb 0.33 -0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 29.80 3k1q h ARG 213 CO -0.21 0.10 0.59 0.66 -1.51 0.00 0.00 179.97 179.59 3k1q h SER 214 N 0.15 0.96 0.89 -3.80 4.64 -0.69 -2.24 113.55 113.46 3k1q h SER 214 Ca 0.29 -0.01 -0.19 0.00 -0.47 0.00 0.00 61.79 61.41 3k1q h SER 214 Cb 0.44 -0.22 -0.03 0.00 -0.31 0.00 0.00 62.40 62.28 3k1q h SER 214 CO -0.45 0.67 -0.90 0.03 -0.87 0.00 0.00 176.83 175.31 3k1q h ARG 215 N 1.12 0.00 -0.76 4.77 3.08 -0.81 -2.48 114.38 119.31 3k1q h ARG 215 Ca 0.35 -0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.40 3k1q h ARG 215 Cb 0.01 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.02 3k1q h ARG 215 CO -0.10 0.90 0.51 1.25 -1.07 0.00 0.00 179.97 181.45 3k1q h LEU 216 N 0.00 0.87 -0.81 3.04 5.85 -1.01 0.19 115.31 123.45 3k1q h LEU 216 Ca -0.01 -0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.72 3k1q h LEU 216 Cb 1.59 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 42.35 3k1q h LEU 216 CO 0.12 0.63 0.52 -0.07 -0.34 0.00 0.00 178.44 179.30 3k1q h LEU 217 N 1.03 0.87 -0.54 2.25 3.38 -0.94 0.31 115.31 121.67 3k1q h LEU 217 Ca 0.28 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.22 3k1q h LEU 217 Cb -0.12 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.41 3k1q h LEU 217 CO -0.06 0.60 0.27 0.00 0.09 0.00 0.00 178.44 179.34 3k1q h ALA 218 N 1.33 0.70 -0.82 1.53 0.00 -1.41 -3.08 119.26 117.52 3k1q h ALA 218 Ca 0.32 -0.12 0.18 0.00 0.00 0.00 0.00 54.91 55.29 3k1q h ALA 218 Cb -0.02 -0.22 -0.11 0.00 0.00 0.00 0.00 17.79 17.45 3k1q h ALA 218 CO -0.10 0.26 0.30 -0.91 0.00 0.00 0.00 179.25 178.80 3k1q h ASN 219 N 0.73 0.22 -0.64 0.00 -0.26 0.26 -3.32 115.58 112.57 3k1q h ASN 219 Ca 0.19 0.14 -0.72 0.00 -0.56 0.00 0.00 56.30 55.35 3k1q h ASN 219 Cb 0.11 0.14 -0.08 0.00 -1.06 0.00 0.00 38.32 37.43 3k1q h ASN 219 CO -0.02 0.02 2.58 0.18 -1.06 0.00 0.00 177.43 179.12 3k1q n LEU 220 N -5.07 6.35 -4.09 1.61 4.77 0.63 -4.93 117.00 116.28 3k1q n LEU 220 Ca 0.18 -4.24 -0.41 0.00 -0.03 0.00 0.00 56.01 51.50 3k1q n LEU 220 Cb 0.53 -1.63 -0.01 0.00 -2.33 0.00 0.00 43.42 39.98 3k1q n LEU 220 CO 0.14 0.97 2.27 0.00 -1.33 0.00 0.00 177.39 179.44 3k1q n ALA 221 N 5.96 4.25 -3.57 -1.18 0.00 -1.25 -4.77 120.51 119.95 3k1q n ALA 221 Ca 0.47 -3.72 -0.05 0.00 0.00 0.00 0.00 53.44 50.14 3k1q n ALA 221 Cb 0.40 -3.57 -0.02 0.00 0.00 0.00 0.00 19.45 16.26 3k1q n ALA 221 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3k1q s ALA 222 N 4.47 -1.99 -0.22 0.00 0.00 -1.26 -5.10 121.76 117.66 3k1q s ALA 222 Ca 0.53 1.32 0.13 0.00 0.00 0.00 0.00 51.96 53.93 3k1q s ALA 222 Cb 0.09 0.10 0.45 0.00 0.00 0.00 0.00 23.12 23.76 3k1q s ALA 222 CO 0.01 -0.67 1.19 0.41 0.00 0.00 0.00 175.76 176.71 3k1q n GLY 223 N -0.17 4.79 3.77 0.00 0.00 -1.26 -4.81 105.19 107.50 3k1q n GLY 223 Ca -0.03 -1.78 -0.39 0.00 0.00 0.00 0.00 46.02 43.82 3k1q n GLY 223 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3k1q s PRO 224 N -3.10 3.91 0.13 1.61 0.02 -1.26 -3.79 135.00 132.52 3k1q s PRO 224 Ca 0.41 2.17 -0.33 0.00 0.02 0.00 0.00 61.00 63.27 3k1q s PRO 224 Cb 0.38 -2.72 -0.13 0.00 0.02 0.00 0.00 34.50 32.05 3k1q s PRO 224 CO -0.03 -0.55 1.66 2.41 -0.33 0.00 0.00 177.00 180.16 3k1q n THR 225 N 0.05 0.11 -3.85 0.99 -1.04 -1.26 -4.64 114.28 104.64 3k1q n THR 225 Ca 0.04 -0.02 -0.36 0.00 -2.04 0.00 0.00 64.05 61.67 3k1q n THR 225 Cb 0.44 -1.69 -0.13 0.00 -1.82 0.00 0.00 70.33 67.12 3k1q n THR 225 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 3k1q s VAL 226 N 1.52 3.20 -0.93 12.58 1.01 -1.26 -3.44 120.40 133.08 3k1q s VAL 226 Ca 0.80 -1.52 -0.11 0.00 0.00 0.00 0.00 61.98 61.15 3k1q s VAL 226 Cb -0.64 -2.93 0.24 0.00 0.00 0.00 0.00 36.38 33.05 3k1q s VAL 226 CO 0.39 -0.27 0.89 -0.76 0.00 0.00 0.00 175.10 175.34 3k1q s LEU 227 N 1.25 6.48 -0.17 3.92 1.43 0.17 0.10 118.68 131.86 3k1q s LEU 227 Ca -0.01 -3.09 -0.26 0.00 -1.03 0.00 0.00 54.13 49.74 3k1q s LEU 227 Cb -0.20 -2.18 -0.01 0.00 0.03 0.00 0.00 46.19 43.82 3k1q s LEU 227 CO -0.01 -0.44 0.85 -1.61 0.23 0.00 0.00 176.35 175.37 3k1q s GLU 228 N -0.47 4.29 0.11 1.70 2.02 -0.06 -0.77 118.70 125.53 3k1q s GLU 228 Ca 0.23 1.04 -0.30 0.00 0.02 0.00 0.00 54.97 55.96 3k1q s GLU 228 Cb -0.10 -3.58 -0.06 0.00 0.10 0.00 0.00 34.13 30.49 3k1q s GLU 228 CO -0.09 -0.35 1.01 -1.58 0.02 0.00 0.00 175.26 174.27 3k1q s HIS 229 N 2.23 3.73 -0.46 1.61 5.65 0.24 -1.40 115.29 126.90 3k1q s HIS 229 Ca 0.39 1.72 0.03 0.00 0.25 0.00 0.00 55.06 57.44 3k1q s HIS 229 Cb -0.16 -3.13 0.13 0.00 -1.18 0.00 0.00 32.58 28.23 3k1q s HIS 229 CO 0.12 -0.08 0.22 -0.06 -0.65 0.00 0.00 174.74 174.29 3k1q s PHE 230 N 0.10 2.67 0.00 3.88 0.40 -1.26 -4.73 117.98 119.04 3k1q s PHE 230 Ca 0.49 -2.77 0.00 0.00 -0.60 0.00 0.00 56.93 54.04 3k1q s PHE 230 Cb -0.25 -2.39 0.00 0.00 0.51 0.00 0.00 43.02 40.89 3k1q s PHE 230 CO 0.31 -0.79 0.00 -3.47 0.70 0.00 0.00 175.22 171.97 3k1q n ASP 231 N 3.50 0.00 -3.53 1.36 -0.08 -1.26 -4.72 116.55 111.82 3k1q n ASP 231 Ca 0.06 0.00 -0.29 0.00 -1.51 0.00 0.00 54.79 53.05 3k1q n ASP 231 Cb 0.35 0.00 -0.12 0.00 2.34 0.00 0.00 41.12 43.69 3k1q n ASP 231 CO 0.00 0.00 0.00 -0.55 0.12 0.00 0.00 177.20 176.77 3k1q s SER 232 N -4.00 2.94 -0.63 1.67 0.15 -1.26 -5.00 113.70 107.57 3k1q s SER 232 Ca 0.00 -2.49 -0.27 0.00 0.70 0.00 0.00 55.95 53.89 3k1q s SER 232 Cb 0.00 -0.60 0.03 0.00 -1.71 0.00 0.00 66.02 63.74 3k1q s SER 232 CO 0.00 -0.27 1.17 -2.16 1.20 0.00 0.00 173.24 173.18 3k1q s PRO 233 N 0.65 3.37 0.00 5.44 0.04 -1.26 -4.98 135.00 138.25 3k1q s PRO 233 Ca 0.21 -0.03 0.00 0.00 0.04 0.00 0.00 61.00 61.22 3k1q s PRO 233 Cb -0.18 -4.08 0.00 0.00 0.04 0.00 0.00 34.50 30.28 3k1q s PRO 233 CO -0.03 -1.80 0.00 0.25 0.04 0.00 0.00 177.00 175.46 3k1q n THR 234 N 6.48 0.00 -1.99 1.26 -2.24 -1.26 -0.25 114.28 116.28 3k1q n THR 234 Ca 0.05 0.00 -0.26 0.00 -2.27 0.00 0.00 64.05 61.57 3k1q n THR 234 Cb 0.49 0.00 0.03 0.00 -2.10 0.00 0.00 70.33 68.74 3k1q n THR 234 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3k1q n TYR 235 N 0.00 2.90 0.00 4.78 9.36 -1.26 -5.11 117.16 127.83 3k1q n TYR 235 Ca 0.00 -2.44 0.00 0.00 3.32 0.00 0.00 57.90 58.78 3k1q n TYR 235 Cb 0.00 -0.47 0.00 0.00 -0.63 0.00 0.00 39.34 38.24 3k1q n TYR 235 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3k1q n GLY 236 N -0.71 2.14 3.61 2.98 0.00 0.65 -5.03 105.19 108.83 3k1q n GLY 236 Ca 0.46 -1.85 -0.43 0.00 0.00 0.00 0.00 46.02 44.19 3k1q n GLY 236 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3k1q n PRO 237 N -1.96 2.12 -4.36 1.61 -0.02 -1.26 -4.56 135.00 126.56 3k1q n PRO 237 Ca 0.00 0.64 -0.18 0.00 -2.02 0.00 0.00 63.50 61.94 3k1q n PRO 237 Cb 0.00 -3.14 -0.10 0.00 -0.02 0.00 0.00 33.50 30.24 3k1q n PRO 237 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 3k1q s HIS 238 N 7.36 1.68 0.13 6.00 -3.43 -1.26 -0.24 115.29 125.53 3k1q s HIS 238 Ca 0.99 -1.08 0.05 0.00 -0.80 0.00 0.00 55.06 54.21 3k1q s HIS 238 Cb -0.39 -1.03 -0.04 0.00 -1.43 0.00 0.00 32.58 29.69 3k1q s HIS 238 CO 0.38 -0.19 -0.11 -0.48 -2.00 0.00 0.00 174.74 172.34 3k1q s LEU 239 N -3.37 2.48 -0.22 5.38 0.05 0.72 -0.59 118.68 123.14 3k1q s LEU 239 Ca 0.36 -0.93 -0.02 0.00 0.05 0.00 0.00 54.13 53.59 3k1q s LEU 239 Cb 0.08 -0.37 0.01 0.00 -2.05 0.00 0.00 46.19 43.86 3k1q s LEU 239 CO 0.14 -0.28 -0.09 -0.76 -0.55 0.00 0.00 176.35 174.81 3k1q s LEU 240 N -2.89 2.81 -0.55 1.48 1.02 0.05 -1.03 118.68 119.58 3k1q s LEU 240 Ca 0.13 -0.62 -0.11 0.00 0.02 0.00 0.00 54.13 53.55 3k1q s LEU 240 Cb 0.00 -1.65 0.14 0.00 0.02 0.00 0.00 46.19 44.70 3k1q s LEU 240 CO 0.01 -0.05 0.45 -0.22 0.02 0.00 0.00 176.35 176.55 3k1q s LEU 241 N 1.38 5.93 0.44 1.79 2.96 -0.88 0.46 118.68 130.76 3k1q s LEU 241 Ca 0.04 -2.06 -0.23 0.00 -0.22 0.00 0.00 54.13 51.65 3k1q s LEU 241 Cb -0.15 -2.07 -0.10 0.00 0.50 0.00 0.00 46.19 44.37 3k1q s LEU 241 CO -0.06 -0.69 0.98 -2.65 -1.32 0.00 0.00 176.35 172.60 3k1q n PRO 242 N 4.76 1.26 -2.74 0.98 -0.02 -1.22 -1.47 135.00 136.55 3k1q n PRO 242 Ca -0.05 0.45 -0.33 0.00 -2.02 0.00 0.00 63.50 61.55 3k1q n PRO 242 Cb 0.41 -2.03 -0.06 0.00 -0.02 0.00 0.00 33.50 31.80 3k1q n PRO 242 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3k1q s GLN 243 N -2.07 4.13 -0.74 -0.52 1.11 -0.94 -4.69 119.66 115.93 3k1q s GLN 243 Ca 0.64 1.15 -0.26 0.00 0.01 0.00 0.00 55.36 56.90 3k1q s GLN 243 Cb -0.54 -2.16 -0.02 0.00 -1.01 0.00 0.00 33.01 29.28 3k1q s GLN 243 CO 0.56 -0.12 1.80 0.99 0.01 0.00 0.00 175.29 178.53 3k1q s THR 244 N -2.19 3.46 -0.08 -0.19 2.01 -1.26 -4.63 115.64 112.76 3k1q s THR 244 Ca 0.63 -0.02 -0.18 0.00 0.31 0.00 0.00 61.69 62.43 3k1q s THR 244 Cb -0.10 -4.14 0.04 0.00 0.01 0.00 0.00 72.50 68.31 3k1q s THR 244 CO 0.16 -1.09 0.43 -0.83 -0.69 0.00 0.00 174.62 172.60 3k1q s GLY 245 N 7.42 -0.30 -0.22 4.40 0.00 -1.26 -5.15 107.32 112.21 3k1q s GLY 245 Ca 0.63 0.89 -0.02 0.00 0.00 0.00 0.00 44.72 46.23 3k1q s GLY 245 CO 0.11 0.67 -0.09 0.99 0.00 0.00 0.00 173.10 174.78 3k1q s ASP 246 N -0.65 3.97 -0.33 1.64 1.01 -1.26 -3.69 116.67 117.35 3k1q s ASP 246 Ca -0.07 -0.63 -0.18 0.00 0.71 0.00 0.00 52.55 52.38 3k1q s ASP 246 Cb -0.03 -1.64 -0.01 0.00 1.01 0.00 0.00 42.92 42.25 3k1q s ASP 246 CO 0.04 -0.05 0.50 -0.69 0.21 0.00 0.00 175.17 175.18 3k1q s VAL 247 N 1.37 5.04 -0.58 -1.27 1.01 0.70 -4.88 120.40 121.79 3k1q s VAL 247 Ca 0.04 0.44 0.14 0.00 0.00 0.00 0.00 61.98 62.59 3k1q s VAL 247 Cb -0.15 -3.92 0.71 0.00 0.00 0.00 0.00 36.38 33.03 3k1q s VAL 247 CO -0.06 -0.14 1.60 -0.11 0.00 0.00 0.00 175.10 176.39 3k1q n LEU 248 N 5.67 5.00 0.21 3.92 7.94 -1.26 -2.66 117.00 135.82 3k1q n LEU 248 Ca -0.05 -2.53 0.15 0.00 -1.11 0.00 0.00 56.01 52.46 3k1q n LEU 248 Cb 0.49 -0.63 0.77 0.00 0.53 0.00 0.00 43.42 44.57 3k1q n LEU 248 CO 0.44 0.63 0.94 1.23 -1.11 0.00 0.00 177.39 179.52 3k1q h GLY 249 N 4.20 0.00 -7.18 -3.96 0.00 -1.94 -3.38 103.07 90.81 3k1q h GLY 249 Ca 0.00 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.78 3k1q h GLY 249 CO 0.38 0.00 -0.76 -0.19 0.00 0.00 0.00 176.54 175.96 3k1q s TYR 250 N -3.71 1.30 0.12 5.60 1.51 -1.26 -5.05 117.35 115.87 3k1q s TYR 250 Ca -0.03 -1.28 -0.30 0.00 -1.01 0.00 0.00 57.07 54.45 3k1q s TYR 250 Cb 0.08 -1.34 -0.06 0.00 -0.11 0.00 0.00 41.96 40.54 3k1q s TYR 250 CO 0.28 -0.76 1.10 0.45 -1.11 0.00 0.00 175.55 175.51 3k1q s SER 251 N 1.76 7.25 -0.34 2.29 0.15 -1.26 -1.44 113.70 122.11 3k1q s SER 251 Ca 0.05 2.00 0.06 0.00 0.70 0.00 0.00 55.95 58.76 3k1q s SER 251 Cb -0.17 -2.59 0.46 0.00 -1.71 0.00 0.00 66.02 62.01 3k1q s SER 251 CO -0.19 -0.28 1.38 -0.24 1.20 0.00 0.00 173.24 175.11 3k1q n SER 252 N 2.98 4.54 -4.70 5.45 2.88 -1.26 -5.08 113.62 118.43 3k1q n SER 252 Ca 0.05 -3.78 -0.42 0.00 -1.33 0.00 0.00 58.87 53.39 3k1q n SER 252 Cb 0.47 -0.52 -0.03 0.00 -0.75 0.00 0.00 64.21 63.38 3k1q n SER 252 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 3k1q s SER 253 N -3.09 7.25 -0.79 -3.46 1.04 -0.52 -5.00 113.70 109.12 3k1q s SER 253 Ca 0.51 1.51 0.01 0.00 0.48 0.00 0.00 55.95 58.46 3k1q s SER 253 Cb 0.42 -2.53 0.19 0.00 0.10 0.00 0.00 66.02 64.20 3k1q s SER 253 CO 0.01 -0.28 0.62 -0.76 0.98 0.00 0.00 173.24 173.81 3k1q s LEU 254 N 1.27 5.18 0.21 2.42 1.43 -1.26 -4.36 118.68 123.57 3k1q s LEU 254 Ca 0.48 -3.73 0.09 0.00 -1.03 0.00 0.00 54.13 49.94 3k1q s LEU 254 Cb -0.20 -1.78 -0.04 0.00 0.03 0.00 0.00 46.19 44.20 3k1q s LEU 254 CO 0.23 -0.15 -0.08 0.27 0.23 0.00 0.00 176.35 176.85 3k1q s ILE 255 N -1.31 3.20 0.45 -0.59 -5.25 -1.09 -4.86 121.20 111.75 3k1q s ILE 255 Ca 0.26 -1.78 -0.04 0.00 -0.99 0.00 0.00 60.65 58.09 3k1q s ILE 255 Cb -0.07 -2.63 -0.04 0.00 2.95 0.00 0.00 42.46 42.67 3k1q s ILE 255 CO -0.13 -0.20 0.74 -0.44 -1.79 0.00 0.00 174.94 173.11 3k1q s SER 256 N -3.10 6.27 0.40 4.36 0.01 -1.24 -0.21 113.70 120.19 3k1q s SER 256 Ca 0.27 0.83 0.28 0.00 1.31 0.00 0.00 55.95 58.64 3k1q s SER 256 Cb -0.08 -2.21 1.38 0.00 0.21 0.00 0.00 66.02 65.33 3k1q s SER 256 CO 0.16 -0.52 1.49 0.00 0.41 0.00 0.00 173.24 174.79 3k1q n GLN 257 N -2.14 -0.04 -0.33 12.44 3.00 -1.26 -1.61 117.38 127.44 3k1q n GLN 257 Ca -0.01 1.22 0.03 0.00 -0.01 0.00 0.00 57.00 58.24 3k1q n GLN 257 Cb 0.55 -2.35 0.10 0.00 0.00 0.00 0.00 30.24 28.54 3k1q n GLN 257 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3k1q h ALA 258 N 1.62 0.48 -0.26 -1.58 0.00 -1.93 -0.00 119.26 117.58 3k1q h ALA 258 Ca 0.83 0.33 -0.08 0.00 0.00 0.00 0.00 54.91 55.99 3k1q h ALA 258 Cb 2.56 0.77 -0.01 0.00 0.00 0.00 0.00 17.79 21.10 3k1q h ALA 258 CO -0.52 -0.46 -0.20 0.00 0.00 0.00 0.00 179.25 178.07 3k1q h ALA 259 N 1.75 1.17 -0.18 0.00 0.00 -1.70 -0.63 119.26 119.68 3k1q h ALA 259 Ca 0.41 -0.31 -0.16 0.00 0.00 0.00 0.00 54.91 54.85 3k1q h ALA 259 Cb 0.65 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 3k1q h ALA 259 CO -0.94 0.53 -0.56 -0.07 0.00 0.00 0.00 179.25 178.20 3k1q h LEU 260 N 0.42 0.61 0.71 0.00 3.38 -1.45 -0.43 115.31 118.56 3k1q h LEU 260 Ca 0.07 -0.33 -0.03 0.00 0.09 0.00 0.00 57.88 57.68 3k1q h LEU 260 Cb 0.59 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.17 3k1q h LEU 260 CO 0.04 1.04 -0.40 0.25 0.09 0.00 0.00 178.44 179.47 3k1q h LEU 261 N 0.42 -0.97 0.00 1.67 6.46 -0.42 -0.97 115.31 121.49 3k1q h LEU 261 Ca 0.01 0.05 0.00 0.00 -0.12 0.00 0.00 57.88 57.81 3k1q h LEU 261 Cb 1.11 0.27 0.00 0.00 -0.73 0.00 0.00 40.66 41.31 3k1q h LEU 261 CO 0.10 -0.63 0.00 0.23 -0.62 0.00 0.00 178.44 177.52 3k1q n MET 262 N -4.92 0.00 -0.30 1.25 2.81 -0.30 -1.92 117.12 113.74 3k1q n MET 262 Ca -0.13 0.49 0.05 0.00 -1.81 0.00 0.00 57.70 56.30 3k1q n MET 262 Cb 0.42 -0.87 0.20 0.00 -0.71 0.00 0.00 33.22 32.26 3k1q n MET 262 CO 0.00 0.00 0.00 -0.24 1.51 0.00 0.00 175.97 177.24 3k1q h VAL 263 N 0.00 0.85 0.00 2.03 3.04 -1.15 0.87 116.25 121.89 3k1q h VAL 263 Ca 0.00 -0.26 0.01 0.00 -1.01 0.00 0.00 66.70 65.44 3k1q h VAL 263 Cb 0.00 0.02 -0.02 0.00 -2.01 0.00 0.00 31.29 29.27 3k1q h VAL 263 CO 0.00 0.14 -0.24 -0.08 -1.01 0.00 0.00 177.57 176.38 3k1q h GLU 264 N 0.76 -0.29 -0.42 4.17 4.57 -0.77 0.16 114.58 122.76 3k1q h GLU 264 Ca 0.43 0.02 0.08 0.00 -1.18 0.00 0.00 59.36 58.71 3k1q h GLU 264 Cb 0.48 0.07 -0.07 0.00 -0.16 0.00 0.00 28.75 29.07 3k1q h GLU 264 CO -0.29 -0.19 -0.02 1.03 -1.18 0.00 0.00 179.01 178.36 3k1q h SER 265 N -0.30 -0.21 -0.82 1.04 0.87 -1.20 0.80 113.55 113.72 3k1q h SER 265 Ca 0.00 0.10 0.09 0.00 -1.23 0.00 0.00 61.79 60.75 3k1q h SER 265 Cb 0.32 0.19 -0.07 0.00 -0.44 0.00 0.00 62.40 62.40 3k1q h SER 265 CO -0.16 -0.07 0.48 0.58 -0.53 0.00 0.00 176.83 177.14 3k1q h VAL 266 N 0.09 0.94 -0.81 2.23 2.07 -0.35 -1.61 116.25 118.81 3k1q h VAL 266 Ca 0.21 -0.28 -0.03 0.00 0.82 0.00 0.00 66.70 67.42 3k1q h VAL 266 Cb 0.30 0.04 -0.04 0.00 -1.52 0.00 0.00 31.29 30.08 3k1q h VAL 266 CO -0.36 0.15 0.39 0.24 0.02 0.00 0.00 177.57 178.01 3k1q h MET 267 N 0.82 1.16 -0.72 1.57 2.07 0.44 -1.27 114.93 119.00 3k1q h MET 267 Ca 0.39 -0.17 0.14 0.00 -2.07 0.00 0.00 59.70 58.00 3k1q h MET 267 Cb 0.31 -0.21 -0.05 0.00 -1.87 0.00 0.00 31.60 29.79 3k1q h MET 267 CO -0.23 0.89 0.48 -0.44 1.07 0.00 0.00 176.91 178.68 3k1q h ASP 268 N 1.14 0.35 0.14 1.22 5.19 -0.28 -2.17 116.42 122.01 3k1q h ASP 268 Ca 0.28 0.02 -0.01 0.00 -0.62 0.00 0.00 57.03 56.70 3k1q h ASP 268 Cb 0.11 -0.05 0.00 0.00 0.18 0.00 0.00 39.33 39.57 3k1q h ASP 268 CO -0.04 0.19 -0.07 0.00 -3.12 0.00 0.00 179.24 176.20 3k1q h ALA 269 N 1.66 -0.19 -0.93 3.45 0.00 -0.41 -0.46 119.26 122.37 3k1q h ALA 269 Ca 0.35 -0.24 0.27 0.00 0.00 0.00 0.00 54.91 55.29 3k1q h ALA 269 Cb 0.83 0.08 -0.15 0.00 0.00 0.00 0.00 17.79 18.55 3k1q h ALA 269 CO -0.10 -0.29 0.34 -0.07 0.00 0.00 0.00 179.25 179.13 3k1q h LEU 270 N -0.84 0.16 -0.18 0.00 3.38 -1.15 0.21 115.31 116.88 3k1q h LEU 270 Ca -0.02 0.20 -0.01 0.00 0.09 0.00 0.00 57.88 58.14 3k1q h LEU 270 Cb 0.54 0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 3k1q h LEU 270 CO 0.03 -0.17 0.06 0.03 0.09 0.00 0.00 178.44 178.48 3k1q h ARG 271 N 0.23 0.28 -0.42 1.13 3.08 -1.36 -2.78 114.38 114.54 3k1q h ARG 271 Ca 0.62 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.60 3k1q h ARG 271 Cb 1.33 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 31.32 3k1q h ARG 271 CO -0.66 0.38 0.20 0.22 -1.07 0.00 0.00 179.97 179.05 3k1q h ASP 272 N 0.12 0.51 -0.03 7.04 3.58 0.87 -2.78 116.42 125.73 3k1q h ASP 272 Ca 0.06 -0.04 -0.00 0.00 0.42 0.00 0.00 57.03 57.47 3k1q h ASP 272 Cb 0.22 -0.13 -0.00 0.00 1.72 0.00 0.00 39.33 41.14 3k1q h ASP 272 CO -0.00 0.44 0.02 0.78 -2.88 0.00 0.00 179.24 177.60 3k1q h ASN 273 N 0.58 0.03 -0.90 2.28 4.21 -0.64 0.13 115.58 121.27 3k1q h ASN 273 Ca 0.15 -0.04 0.13 0.00 1.21 0.00 0.00 56.30 57.75 3k1q h ASN 273 Cb 0.06 -0.01 -0.07 0.00 -1.12 0.00 0.00 38.32 37.18 3k1q h ASN 273 CO -0.02 0.07 0.58 0.00 -1.29 0.00 0.00 177.43 176.76 3k1q h ALA 274 N 0.97 1.76 -0.01 -0.83 0.00 -1.38 -2.46 119.26 117.31 3k1q h ALA 274 Ca 0.01 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3k1q h ALA 274 Cb 0.04 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.68 3k1q h ALA 274 CO -0.00 0.01 -0.05 0.09 0.00 0.00 0.00 179.25 179.30 3k1q n ASN 275 N -4.56 0.94 -4.59 0.00 3.02 -0.70 -3.83 115.26 105.54 3k1q n ASN 275 Ca 0.17 -1.15 -0.44 0.00 -0.03 0.00 0.00 54.58 53.13 3k1q n ASN 275 Cb 0.42 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.56 3k1q n ASN 275 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3k1q n ALA 276 N -0.38 1.60 -2.81 5.41 0.00 0.37 -5.00 120.51 119.70 3k1q n ALA 276 Ca 0.18 -0.12 -0.36 0.00 0.00 0.00 0.00 53.44 53.14 3k1q n ALA 276 Cb 0.29 -2.81 -0.07 0.00 0.00 0.00 0.00 19.45 16.85 3k1q n ALA 276 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3k1q s SER 277 N 7.32 5.97 0.07 0.00 0.15 -1.26 -4.77 113.70 121.18 3k1q s SER 277 Ca 1.00 0.33 -0.13 0.00 0.70 0.00 0.00 55.95 57.84 3k1q s SER 277 Cb -0.44 -1.88 -0.24 0.00 -1.71 0.00 0.00 66.02 61.75 3k1q s SER 277 CO 0.39 0.37 1.18 0.00 1.20 0.00 0.00 173.24 176.38 3k1q h ALA 278 N 5.27 0.11 -0.41 5.45 0.00 -1.95 -3.29 119.26 124.44 3k1q h ALA 278 Ca -0.51 -0.72 0.00 0.00 0.00 0.00 0.00 54.91 53.68 3k1q h ALA 278 Cb 1.21 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.06 3k1q h ALA 278 CO 0.59 0.70 0.00 -1.13 0.00 0.00 0.00 179.25 179.41 3k1q n SER 279 N -3.83 4.07 -4.25 0.00 3.41 -1.26 -3.97 113.62 107.79 3k1q n SER 279 Ca -0.11 -2.61 -0.38 0.00 -0.26 0.00 0.00 58.87 55.51 3k1q n SER 279 Cb 0.91 -0.49 -0.12 0.00 -0.26 0.00 0.00 64.21 64.24 3k1q n SER 279 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3k1q s THR 280 N -2.11 3.70 -0.44 6.66 2.01 -1.24 -5.05 115.64 119.17 3k1q s THR 280 Ca 0.41 -1.24 -0.31 0.00 0.31 0.00 0.00 61.69 60.86 3k1q s THR 280 Cb 0.29 -3.14 -0.11 0.00 0.01 0.00 0.00 72.50 69.56 3k1q s THR 280 CO 0.15 -0.23 2.32 0.00 -0.69 0.00 0.00 174.62 176.17 3k1q n ALA 281 N 4.79 1.03 -2.21 7.40 0.00 -1.26 -4.52 120.51 125.74 3k1q n ALA 281 Ca -0.12 -0.34 -0.35 0.00 0.00 0.00 0.00 53.44 52.63 3k1q n ALA 281 Cb 0.44 -2.75 -0.06 0.00 0.00 0.00 0.00 19.45 17.09 3k1q n ALA 281 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3k1q s VAL 282 N 8.96 4.71 0.12 0.00 1.01 0.20 -4.76 120.40 130.63 3k1q s VAL 282 Ca 1.09 1.00 -0.24 0.00 0.00 0.00 0.00 61.98 63.83 3k1q s VAL 282 Cb -0.65 -3.74 -0.07 0.00 0.00 0.00 0.00 36.38 31.92 3k1q s VAL 282 CO 0.41 0.10 1.68 0.74 0.00 0.00 0.00 175.10 178.02 3k1q h THR 283 N 2.50 0.64 -3.24 3.92 2.02 -1.92 -0.98 112.91 115.86 3k1q h THR 283 Ca -0.48 0.00 -0.46 0.00 0.77 0.00 0.00 66.41 66.24 3k1q h THR 283 Cb 1.19 0.64 -0.38 0.00 -1.74 0.00 0.00 68.15 67.86 3k1q h THR 283 CO 0.66 0.00 -0.78 -0.13 0.37 0.00 0.00 175.52 175.64 3k1q s ARG 284 N -6.14 0.87 0.00 6.66 0.52 -1.26 -3.41 118.95 116.19 3k1q s ARG 284 Ca -0.14 0.00 0.00 0.00 -0.52 0.00 0.00 55.73 55.07 3k1q s ARG 284 Cb 0.09 -1.14 0.00 0.00 0.52 0.00 0.00 34.95 34.41 3k1q s ARG 284 CO 0.67 -0.29 0.77 1.28 0.02 0.00 0.00 175.30 177.74 3k1q n LEU 285 N 5.08 0.00 -4.56 2.53 4.77 -1.26 -4.04 117.00 119.52 3k1q n LEU 285 Ca -0.09 0.77 -0.22 0.00 -0.03 0.00 0.00 56.01 56.44 3k1q n LEU 285 Cb 0.50 -0.27 -0.06 0.00 -2.33 0.00 0.00 43.42 41.27 3k1q n LEU 285 CO 0.12 -0.27 1.31 -0.62 -1.33 0.00 0.00 177.39 176.60 3k1q s ASP 286 N -2.32 4.67 0.00 -1.43 -1.08 -1.26 -4.89 116.67 110.36 3k1q s ASP 286 Ca 0.00 -0.37 0.00 0.00 -0.52 0.00 0.00 52.55 51.66 3k1q s ASP 286 Cb 0.00 -2.55 0.00 0.00 -1.46 0.00 0.00 42.92 38.91 3k1q s ASP 286 CO 0.00 -3.16 0.73 0.00 0.52 0.00 0.00 175.17 173.25 3k1q n GLN 287 N 8.85 0.77 -4.33 4.34 6.02 -1.26 -4.64 117.38 127.13 3k1q n GLN 287 Ca 0.42 0.00 -0.21 0.00 -0.01 0.00 0.00 57.00 57.20 3k1q n GLN 287 Cb 0.46 -1.14 -0.11 0.00 1.02 0.00 0.00 30.24 30.46 3k1q n GLN 287 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 3k1q s SER 288 N 0.87 2.65 0.04 1.08 0.15 -1.26 -4.77 113.70 112.45 3k1q s SER 288 Ca 0.00 -0.88 0.06 0.00 0.70 0.00 0.00 55.95 55.83 3k1q s SER 288 Cb 0.00 -0.15 -0.03 0.00 -1.71 0.00 0.00 66.02 64.12 3k1q s SER 288 CO 0.00 -0.05 -0.14 -0.31 1.20 0.00 0.00 173.24 173.93 3k1q s TYR 289 N -2.16 2.66 -0.17 3.44 1.51 -1.26 -4.06 117.35 117.31 3k1q s TYR 289 Ca 0.16 -0.19 -0.05 0.00 -1.01 0.00 0.00 57.07 55.98 3k1q s TYR 289 Cb -0.05 -1.49 -0.03 0.00 -0.11 0.00 0.00 41.96 40.28 3k1q s TYR 289 CO 0.07 0.31 -0.01 -1.58 -1.11 0.00 0.00 175.55 173.23 3k1q s HIS 290 N -0.98 3.09 0.24 2.71 2.46 -0.49 -4.90 115.29 117.41 3k1q s HIS 290 Ca 0.16 -0.21 -0.07 0.00 0.47 0.00 0.00 55.06 55.41 3k1q s HIS 290 Cb -0.11 -2.00 -0.06 0.00 -0.13 0.00 0.00 32.58 30.28 3k1q s HIS 290 CO 0.07 0.00 0.52 -1.25 -2.47 0.00 0.00 174.74 171.61 3k1q s PRO 291 N 0.42 3.71 0.00 2.88 0.04 -1.25 -0.88 135.00 139.91 3k1q s PRO 291 Ca -0.02 0.12 0.00 0.00 0.04 0.00 0.00 61.00 61.14 3k1q s PRO 291 Cb -0.14 -2.68 0.00 0.00 0.04 0.00 0.00 34.50 31.72 3k1q s PRO 291 CO 0.02 0.30 0.00 0.28 0.04 0.00 0.00 177.00 177.64 3k1q n VAL 292 N -0.40 0.00 -0.81 -0.36 0.31 0.11 -4.95 118.33 112.25 3k1q n VAL 292 Ca -0.01 0.00 -0.35 0.00 -0.01 0.00 0.00 64.34 63.98 3k1q n VAL 292 Cb 0.53 -0.40 0.12 0.00 -0.91 0.00 0.00 33.84 33.17 3k1q n VAL 292 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 3k1q n THR 293 N -0.84 0.00 0.00 2.52 -2.24 -1.26 -3.83 114.28 108.63 3k1q n THR 293 Ca 0.00 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 3k1q n THR 293 Cb 0.00 -0.38 0.00 0.00 -2.10 0.00 0.00 70.33 67.85 3k1q n THR 293 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3k1q n SER 294 N 0.29 0.00 -1.24 3.42 3.41 -1.25 -4.46 113.62 113.80 3k1q n SER 294 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3k1q n SER 294 Cb 0.65 -0.22 0.00 0.00 -0.26 0.00 0.00 64.21 64.38 3k1q n SER 294 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 3k1q n PHE 295 N -1.64 0.00 -0.04 7.33 0.99 -1.25 -4.11 117.46 118.73 3k1q n PHE 295 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 57.45 57.43 3k1q n PHE 295 Cb 0.00 -0.08 0.23 0.00 -1.00 0.00 0.00 39.48 38.62 3k1q n PHE 295 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 176.76 176.32 3k1q h ASP 296 N 1.87 0.60 -4.03 4.37 3.45 -1.91 -3.41 116.42 117.37 3k1q h ASP 296 Ca 0.00 -0.14 -0.49 0.00 0.43 0.00 0.00 57.03 56.83 3k1q h ASP 296 Cb 0.00 -0.16 0.04 0.00 -0.56 0.00 0.00 39.33 38.65 3k1q h ASP 296 CO 0.00 0.70 0.42 -2.84 -1.57 0.00 0.00 179.24 175.95 3k1q s PRO 297 N -4.91 3.82 -0.06 3.56 0.02 -1.26 -4.97 135.00 131.20 3k1q s PRO 297 Ca -0.08 1.54 0.05 0.00 0.02 0.00 0.00 61.00 62.53 3k1q s PRO 297 Cb 0.15 -2.28 -0.07 0.00 0.02 0.00 0.00 34.50 32.31 3k1q s PRO 297 CO 0.79 -0.44 0.01 -1.13 -0.33 0.00 0.00 177.00 175.90 3k1q n SER 298 N -0.65 3.48 -4.86 2.53 3.41 -1.26 -5.00 113.62 111.26 3k1q n SER 298 Ca 0.08 -0.00 -0.26 0.00 -0.26 0.00 0.00 58.87 58.42 3k1q n SER 298 Cb 0.50 0.56 -0.04 0.00 -0.26 0.00 0.00 64.21 64.97 3k1q n SER 298 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3k1q s THR 299 N -2.15 4.84 -1.31 6.66 -4.23 -1.26 -5.07 115.64 113.12 3k1q s THR 299 Ca -0.04 -0.91 -0.18 0.00 -1.18 0.00 0.00 61.69 59.39 3k1q s THR 299 Cb 0.02 -3.48 0.06 0.00 1.34 0.00 0.00 72.50 70.44 3k1q s THR 299 CO 0.24 -0.09 1.80 0.49 -0.54 0.00 0.00 174.62 176.52 3k1q n PHE 300 N -0.41 4.47 0.07 3.99 3.72 -1.26 -4.51 117.46 123.53 3k1q n PHE 300 Ca -0.08 -2.80 0.02 0.00 -0.05 0.00 0.00 57.45 54.54 3k1q n PHE 300 Cb 0.54 -2.63 -0.02 0.00 -0.94 0.00 0.00 39.48 36.43 3k1q n PHE 300 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 3k1q n ASN 301 N 8.38 2.40 -4.55 4.37 4.13 -1.26 -4.99 115.26 123.75 3k1q n ASN 301 Ca 0.49 -0.26 -0.28 0.00 1.68 0.00 0.00 54.58 56.22 3k1q n ASN 301 Cb 0.45 1.09 -0.10 0.00 -1.54 0.00 0.00 39.78 39.68 3k1q n ASN 301 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 3k1q s THR 302 N -1.83 3.11 0.39 3.41 -4.23 -1.26 -5.03 115.64 110.20 3k1q s THR 302 Ca -0.00 -1.58 0.18 0.00 -1.18 0.00 0.00 61.69 59.10 3k1q s THR 302 Cb 0.02 -2.50 0.39 0.00 1.34 0.00 0.00 72.50 71.75 3k1q s THR 302 CO 0.14 -0.03 1.77 0.25 -0.54 0.00 0.00 174.62 176.21 3k1q h LEU 303 N 3.20 0.46 -0.91 4.79 5.85 -1.98 -0.09 115.31 126.63 3k1q h LEU 303 Ca -0.48 0.09 -0.11 0.00 0.84 0.00 0.00 57.88 58.22 3k1q h LEU 303 Cb 1.19 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 42.22 3k1q h LEU 303 CO 0.52 0.09 -0.37 -0.07 -0.34 0.00 0.00 178.44 178.26 3k1q h LEU 304 N 0.40 0.35 -0.02 2.25 3.38 -1.97 0.20 115.31 119.90 3k1q h LEU 304 Ca 0.60 -0.14 -0.13 0.00 0.09 0.00 0.00 57.88 58.30 3k1q h LEU 304 Cb 1.49 -0.10 0.01 0.00 0.09 0.00 0.00 40.66 42.16 3k1q h LEU 304 CO -0.31 0.70 -0.48 1.56 0.09 0.00 0.00 178.44 180.00 3k1q h GLN 305 N 0.29 0.36 -0.83 1.13 7.50 -1.44 -2.95 115.11 119.16 3k1q h GLN 305 Ca 0.03 -0.36 0.04 0.00 0.50 0.00 0.00 58.65 58.86 3k1q h GLN 305 Cb 0.79 0.10 -0.05 0.00 0.05 0.00 0.00 27.48 28.37 3k1q h GLN 305 CO 0.06 1.03 0.53 0.00 -1.50 0.00 0.00 178.83 178.96 3k1q h ARG 306 N -0.18 0.99 -0.60 1.46 3.08 -1.02 -0.34 114.38 117.78 3k1q h ARG 306 Ca -0.05 -0.06 0.13 0.00 0.07 0.00 0.00 59.98 60.06 3k1q h ARG 306 Cb 1.19 -0.22 -0.03 0.00 0.08 0.00 0.00 29.97 30.98 3k1q h ARG 306 CO 0.10 0.66 0.41 0.00 -1.07 0.00 0.00 179.97 180.06 3k1q h ALA 307 N 1.36 2.21 -0.20 0.04 0.00 -0.63 -2.59 119.26 119.45 3k1q h ALA 307 Ca 0.34 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 55.06 3k1q h ALA 307 Cb 0.04 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 3k1q h ALA 307 CO -0.13 -0.36 -0.62 1.79 0.00 0.00 0.00 179.25 179.94 3k1q h THR 308 N 0.26 1.31 0.50 0.00 1.35 -0.87 -0.87 112.91 114.59 3k1q h THR 308 Ca 0.28 -1.86 -0.02 0.00 -0.55 0.00 0.00 66.41 64.27 3k1q h THR 308 Cb 0.76 1.81 -0.01 0.00 -1.73 0.00 0.00 68.15 68.99 3k1q h THR 308 CO -0.06 0.58 -0.34 0.78 -0.25 0.00 0.00 175.52 176.24 3k1q h ASN 309 N 0.50 -0.87 -0.66 5.36 -0.26 -1.45 0.66 115.58 118.86 3k1q h ASN 309 Ca -0.01 0.06 0.11 0.00 -0.56 0.00 0.00 56.30 55.90 3k1q h ASN 309 Cb 1.20 0.26 -0.12 0.00 -1.06 0.00 0.00 38.32 38.60 3k1q h ASN 309 CO 0.12 -0.52 -0.36 -0.07 -1.06 0.00 0.00 177.43 175.55 3k1q h LEU 310 N -0.81 -1.25 -0.33 1.61 3.38 -1.32 -0.90 115.31 115.69 3k1q h LEU 310 Ca -0.06 0.24 0.07 0.00 0.09 0.00 0.00 57.88 58.23 3k1q h LEU 310 Cb 0.68 0.62 -0.07 0.00 0.09 0.00 0.00 40.66 41.97 3k1q h LEU 310 CO 0.04 -0.30 -0.16 0.00 0.09 0.00 0.00 178.44 178.10 3k1q h ALA 311 N 1.01 0.10 -0.81 1.53 0.00 -1.12 -0.58 119.26 119.39 3k1q h ALA 311 Ca 0.24 0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.25 3k1q h ALA 311 Cb 0.56 0.39 -0.04 0.00 0.00 0.00 0.00 17.79 18.70 3k1q h ALA 311 CO -0.73 -0.54 0.41 1.25 0.00 0.00 0.00 179.25 179.63 3k1q h LEU 312 N -0.11 1.05 -0.55 0.00 5.85 -0.03 -2.67 115.31 118.86 3k1q h LEU 312 Ca 0.17 -0.12 -0.09 0.00 0.84 0.00 0.00 57.88 58.68 3k1q h LEU 312 Cb 0.36 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 3k1q h LEU 312 CO -0.40 0.88 -0.42 -0.07 -0.34 0.00 0.00 178.44 178.09 3k1q h LEU 313 N 1.15 0.00 -0.02 2.25 3.38 -0.97 -1.77 115.31 119.33 3k1q h LEU 313 Ca 0.28 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 58.06 3k1q h LEU 313 Cb 0.09 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.86 3k1q h LEU 313 CO -0.04 0.42 -0.75 0.00 0.09 0.00 0.00 178.44 178.16 3k1q h ALA 314 N 1.58 0.11 -0.63 1.53 0.00 -0.95 -1.24 119.26 119.67 3k1q h ALA 314 Ca -0.00 -0.61 0.04 0.00 0.00 0.00 0.00 54.91 54.33 3k1q h ALA 314 Cb 1.10 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.88 3k1q h ALA 314 CO 0.05 0.48 0.37 0.28 0.00 0.00 0.00 179.25 180.44 3k1q h VAL 315 N 0.11 1.04 0.00 0.00 2.07 -1.52 -1.96 116.25 115.99 3k1q h VAL 315 Ca -0.09 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.18 3k1q h VAL 315 Cb 1.43 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 31.46 3k1q h VAL 315 CO 0.15 0.13 0.18 1.56 0.02 0.00 0.00 177.57 179.61 3k1q h GLN 316 N 0.72 0.00 0.00 1.57 4.20 -0.62 -3.46 115.11 117.52 3k1q h GLN 316 Ca 0.26 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.97 3k1q h GLN 316 Cb 0.07 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.85 3k1q h GLN 316 CO -0.13 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 178.44 3k1q n GLY 317 N -1.27 1.68 3.90 3.46 0.00 -0.74 -4.37 105.19 107.84 3k1q n GLY 317 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 3k1q n GLY 317 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3k1q s VAL 318 N -2.00 5.03 -0.11 1.61 -7.23 -0.54 -1.69 120.40 115.48 3k1q s VAL 318 Ca 0.00 0.16 0.03 0.00 -1.81 0.00 0.00 61.98 60.36 3k1q s VAL 318 Cb 0.00 -3.68 -0.00 0.00 0.56 0.00 0.00 36.38 33.26 3k1q s VAL 318 CO 0.00 -0.18 -0.21 -1.10 -0.31 0.00 0.00 175.10 173.30 3k1q s GLN 319 N -3.17 3.14 0.79 4.82 -0.21 -1.26 -4.59 119.66 119.17 3k1q s GLN 319 Ca 0.44 -0.83 -0.11 0.00 0.02 0.00 0.00 55.36 54.89 3k1q s GLN 319 Cb -0.11 -2.40 0.07 0.00 1.00 0.00 0.00 33.01 31.57 3k1q s GLN 319 CO 0.26 0.18 1.09 -1.54 -2.12 0.00 0.00 175.29 173.16 3k1q s SER 320 N 0.36 4.46 0.00 5.90 1.04 -1.26 -1.85 113.70 122.35 3k1q s SER 320 Ca -0.16 1.56 0.00 0.00 0.48 0.00 0.00 55.95 57.83 3k1q s SER 320 Cb -0.17 -2.31 0.00 0.00 0.10 0.00 0.00 66.02 63.64 3k1q s SER 320 CO 0.08 -2.02 0.00 -0.62 0.98 0.00 0.00 173.24 171.66 3k1q n GLU 321 N -3.49 0.00 -1.61 4.02 1.02 -1.24 -4.64 120.64 114.70 3k1q n GLU 321 Ca 0.08 0.00 -0.44 0.00 -0.02 0.00 0.00 57.16 56.77 3k1q n GLU 321 Cb 0.54 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 31.93 3k1q n GLU 321 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 3k1q n SER 322 N 0.00 3.38 -4.84 1.62 3.41 -1.21 -4.95 113.62 111.03 3k1q n SER 322 Ca 0.00 0.51 -0.32 0.00 -0.26 0.00 0.00 58.87 58.80 3k1q n SER 322 Cb 0.00 -1.49 -0.04 0.00 -0.26 0.00 0.00 64.21 62.42 3k1q n SER 322 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3k1q s ALA 323 N 6.66 3.13 0.37 7.33 0.00 -1.26 -5.03 121.76 132.96 3k1q s ALA 323 Ca 0.98 0.14 -0.27 0.00 0.00 0.00 0.00 51.96 52.81 3k1q s ALA 323 Cb -0.47 -3.02 -0.09 0.00 0.00 0.00 0.00 23.12 19.53 3k1q s ALA 323 CO 0.41 -0.07 1.30 0.42 0.00 0.00 0.00 175.76 177.82 3k1q s ILE 324 N -2.44 2.68 0.69 0.00 1.09 -1.26 -5.02 121.20 116.94 3k1q s ILE 324 Ca 0.58 0.65 -0.16 0.00 -1.10 0.00 0.00 60.65 60.61 3k1q s ILE 324 Cb -0.10 -3.40 0.02 0.00 -1.06 0.00 0.00 42.46 37.92 3k1q s ILE 324 CO 0.26 0.12 1.25 -2.84 -0.10 0.00 0.00 174.94 173.64 3k1q s PRO 325 N -2.03 2.31 0.00 2.79 0.02 -1.26 -4.98 135.00 131.86 3k1q s PRO 325 Ca 0.53 1.92 -0.01 0.00 0.02 0.00 0.00 61.00 63.46 3k1q s PRO 325 Cb -0.39 -1.83 -0.00 0.00 0.02 0.00 0.00 34.50 32.30 3k1q s PRO 325 CO 0.50 -1.75 0.19 0.00 -0.33 0.00 0.00 177.00 175.62 3k1q n ALA 326 N -2.34 -0.02 -3.77 -1.55 0.00 -1.26 -2.53 120.51 109.04 3k1q n ALA 326 Ca 0.15 0.03 -0.34 0.00 0.00 0.00 0.00 53.44 53.27 3k1q n ALA 326 Cb 0.49 0.07 -0.15 0.00 0.00 0.00 0.00 19.45 19.87 3k1q n ALA 326 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3k1q s ILE 327 N -3.36 2.78 0.20 0.00 1.09 -1.26 -5.08 121.20 115.57 3k1q s ILE 327 Ca -0.00 -1.00 -0.31 0.00 -1.10 0.00 0.00 60.65 58.24 3k1q s ILE 327 Cb 0.00 -2.38 -0.10 0.00 -1.06 0.00 0.00 42.46 38.92 3k1q s ILE 327 CO 0.02 0.25 1.45 -2.16 -0.10 0.00 0.00 174.94 174.39 3k1q s PRO 328 N 1.32 4.28 0.51 2.79 0.04 -1.05 -4.70 135.00 138.18 3k1q s PRO 328 Ca 0.01 2.25 -0.20 0.00 0.04 0.00 0.00 61.00 63.10 3k1q s PRO 328 Cb -0.16 -3.16 -0.07 0.00 0.04 0.00 0.00 34.50 31.15 3k1q s PRO 328 CO -0.05 -0.45 1.08 0.95 0.04 0.00 0.00 177.00 178.56 3k1q s THR 329 N 0.52 3.49 0.22 1.26 -4.23 -1.26 -0.01 115.64 115.63 3k1q s THR 329 Ca 0.63 0.93 -0.10 0.00 -1.18 0.00 0.00 61.69 61.97 3k1q s THR 329 Cb -0.41 -3.38 0.22 0.00 1.34 0.00 0.00 72.50 70.27 3k1q s THR 329 CO 0.37 -0.19 1.66 -0.03 -0.54 0.00 0.00 174.62 175.88 3k1q h MET 330 N 1.42 0.11 -0.78 3.99 4.05 -1.30 -1.01 114.93 121.42 3k1q h MET 330 Ca -0.50 -0.01 0.14 0.00 -0.28 0.00 0.00 59.70 59.06 3k1q h MET 330 Cb 1.24 -0.03 -0.14 0.00 -0.80 0.00 0.00 31.60 31.87 3k1q h MET 330 CO 0.58 0.08 -0.28 0.66 0.23 0.00 0.00 176.91 178.18 3k1q h SER 331 N 0.12 -1.01 0.19 1.39 4.64 -1.80 0.67 113.55 117.74 3k1q h SER 331 Ca 0.35 0.25 -0.21 0.00 -0.47 0.00 0.00 61.79 61.71 3k1q h SER 331 Cb 0.57 0.58 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 3k1q h SER 331 CO -0.56 -0.28 -0.82 -0.78 -0.87 0.00 0.00 176.83 173.52 3k1q h ASP 332 N -0.05 0.60 -0.07 4.97 1.82 -1.56 -1.44 116.42 120.69 3k1q h ASP 332 Ca 0.33 -0.42 -0.01 0.00 -0.39 0.00 0.00 57.03 56.54 3k1q h ASP 332 Cb 0.58 -0.18 -0.00 0.00 0.68 0.00 0.00 39.33 40.41 3k1q h ASP 332 CO -0.82 1.19 0.02 0.58 -1.61 0.00 0.00 179.24 178.61 3k1q h VAL 333 N 0.32 1.17 -0.14 2.25 2.07 -0.79 0.23 116.25 121.36 3k1q h VAL 333 Ca -0.05 -0.53 -0.04 0.00 0.82 0.00 0.00 66.70 66.90 3k1q h VAL 333 Cb 1.42 1.39 -0.01 0.00 -1.52 0.00 0.00 31.29 32.57 3k1q h VAL 333 CO 0.15 0.15 -0.10 -0.09 0.02 0.00 0.00 177.57 177.70 3k1q h ARG 334 N -0.08 0.22 0.02 1.57 2.43 -0.86 0.19 114.38 117.87 3k1q h ARG 334 Ca 0.02 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.15 3k1q h ARG 334 Cb 0.22 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.73 3k1q h ARG 334 CO -0.00 0.33 -0.01 1.03 -1.51 0.00 0.00 179.97 179.81 3k1q h SER 335 N 0.21 -0.02 -0.45 -3.80 0.87 -0.94 -0.46 113.55 108.96 3k1q h SER 335 Ca 0.04 -0.16 -0.06 0.00 -1.23 0.00 0.00 61.79 60.39 3k1q h SER 335 Cb 0.31 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.26 3k1q h SER 335 CO 0.02 0.14 0.05 0.15 -0.53 0.00 0.00 176.83 176.66 3k1q h PHE 336 N -0.18 0.82 -0.42 2.24 3.57 0.18 -1.12 116.94 122.03 3k1q h PHE 336 Ca -0.00 -0.13 0.02 0.00 3.53 0.00 0.00 57.97 61.39 3k1q h PHE 336 Cb 0.17 -0.22 -0.03 0.00 2.79 0.00 0.00 35.95 38.67 3k1q h PHE 336 CO -0.02 0.79 0.25 0.28 -2.23 0.00 0.00 178.31 177.38 3k1q h VAL 337 N 0.62 1.05 -0.89 1.41 2.07 -0.65 -0.07 116.25 119.79 3k1q h VAL 337 Ca 0.13 -0.18 0.07 0.00 0.82 0.00 0.00 66.70 67.55 3k1q h VAL 337 Cb 0.43 0.50 -0.06 0.00 -1.52 0.00 0.00 31.29 30.63 3k1q h VAL 337 CO 0.01 0.09 0.58 0.00 0.02 0.00 0.00 177.57 178.28 3k1q h ALA 338 N 1.18 1.56 -0.55 1.67 0.00 -0.42 0.80 119.26 123.50 3k1q h ALA 338 Ca 0.17 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 3k1q h ALA 338 Cb 0.00 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 3k1q h ALA 338 CO -0.07 0.30 0.20 0.00 0.00 0.00 0.00 179.25 179.67 3k1q h ARG 339 N 0.97 0.83 -0.85 0.00 3.08 -1.01 -3.00 114.38 114.40 3k1q h ARG 339 Ca 0.39 -0.16 -0.02 0.00 0.07 0.00 0.00 59.98 60.26 3k1q h ARG 339 Cb 0.26 -0.13 -0.04 0.00 0.08 0.00 0.00 29.97 30.14 3k1q h ARG 339 CO -0.15 0.74 0.47 1.25 -1.07 0.00 0.00 179.97 181.21 3k1q h LEU 340 N 0.75 1.06 -3.79 3.04 5.85 0.11 0.79 115.31 123.11 3k1q h LEU 340 Ca 0.18 -0.09 -0.20 0.00 0.84 0.00 0.00 57.88 58.61 3k1q h LEU 340 Cb 0.23 -0.27 -0.08 0.00 0.37 0.00 0.00 40.66 40.92 3k1q h LEU 340 CO -0.01 0.84 -0.10 0.23 -0.34 0.00 0.00 178.44 179.06 3k1q n MET 341 N -4.34 1.80 0.00 1.25 2.81 -0.60 -4.34 117.12 113.70 3k1q n MET 341 Ca 0.09 -1.02 0.00 0.00 -1.81 0.00 0.00 57.70 54.96 3k1q n MET 341 Cb 0.09 -1.74 0.00 0.00 -0.71 0.00 0.00 33.22 30.86 3k1q n MET 341 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3k1q n ALA 342 N 1.81 0.00 -2.51 3.04 0.00 -1.23 -5.02 120.51 116.60 3k1q n ALA 342 Ca 0.32 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.48 3k1q n ALA 342 Cb 0.73 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 20.07 3k1q n ALA 342 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3k1q s GLU 343 N 2.53 1.85 0.00 0.00 0.41 -1.26 -4.78 118.70 117.45 3k1q s GLU 343 Ca 0.00 -1.26 0.00 0.00 -0.41 0.00 0.00 54.97 53.30 3k1q s GLU 343 Cb 0.00 -2.10 0.00 0.00 -1.78 0.00 0.00 34.13 30.25 3k1q s GLU 343 CO 0.00 0.45 0.00 0.41 -0.49 0.00 0.00 175.26 175.63 3k1q n GLY 344 N 0.45 4.13 3.28 -1.39 0.00 -1.26 -3.85 105.19 106.55 3k1q n GLY 344 Ca -0.13 -1.34 -0.32 0.00 0.00 0.00 0.00 46.02 44.23 3k1q n GLY 344 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3k1q s ASP 345 N 0.00 3.11 1.13 1.61 1.11 -1.26 -2.84 116.67 119.53 3k1q s ASP 345 Ca 0.00 -0.50 -0.17 0.00 0.18 0.00 0.00 52.55 52.06 3k1q s ASP 345 Cb 0.00 -0.83 0.17 0.00 1.07 0.00 0.00 42.92 43.33 3k1q s ASP 345 CO 0.00 0.25 0.27 -2.65 1.18 0.00 0.00 175.17 174.22 3k1q n PRO 346 N 2.92 -2.32 -0.12 8.23 -0.02 -1.26 -5.01 135.00 137.42 3k1q n PRO 346 Ca -0.17 -0.67 -0.26 0.00 -2.02 0.00 0.00 63.50 60.38 3k1q n PRO 346 Cb 0.52 -1.67 -0.11 0.00 -0.02 0.00 0.00 33.50 32.22 3k1q n PRO 346 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 3k1q n GLN 347 N -2.58 0.58 -3.04 -0.52 7.27 -1.26 -4.89 117.38 112.94 3k1q n GLN 347 Ca 0.04 0.41 -0.45 0.00 0.07 0.00 0.00 57.00 57.07 3k1q n GLN 347 Cb 0.52 -1.62 -0.03 0.00 2.41 0.00 0.00 30.24 31.53 3k1q n GLN 347 CO 0.00 0.00 0.00 -0.65 0.07 0.00 0.00 177.06 176.48 3k1q s GLN 348 N -2.44 3.52 0.14 3.69 -1.52 -1.26 -5.01 119.66 116.78 3k1q s GLN 348 Ca -0.34 -1.84 -0.02 0.00 -1.95 0.00 0.00 55.36 51.21 3k1q s GLN 348 Cb 0.10 -4.69 0.03 0.00 -0.22 0.00 0.00 33.01 28.23 3k1q s GLN 348 CO 0.55 -1.63 0.14 0.91 -0.25 0.00 0.00 175.29 175.00 3k1q n TRP 349 N 5.95 -3.35 -3.62 0.91 7.02 -1.26 -5.02 117.44 118.07 3k1q n TRP 349 Ca 0.17 -0.12 -0.15 0.00 -1.02 0.00 0.00 57.50 56.37 3k1q n TRP 349 Cb 0.48 -0.13 -0.07 0.00 -2.42 0.00 0.00 31.31 29.16 3k1q n TRP 349 CO 0.00 0.00 0.00 -0.59 -2.02 0.00 0.00 177.69 175.08 3k1q s PHE 350 N -1.26 -0.58 0.30 -5.99 -0.00 -1.26 -4.97 117.98 104.22 3k1q s PHE 350 Ca 0.09 1.19 -0.23 0.00 -0.00 0.00 0.00 56.93 57.97 3k1q s PHE 350 Cb -0.01 0.28 -0.09 0.00 -0.00 0.00 0.00 43.02 43.20 3k1q s PHE 350 CO 0.06 -0.46 0.87 -2.14 -0.00 0.00 0.00 175.22 173.56 3k1q s PRO 351 N -0.60 4.44 0.00 1.99 0.02 -1.26 -4.99 135.00 134.59 3k1q s PRO 351 Ca -0.07 1.15 0.17 0.00 0.02 0.00 0.00 61.00 62.27 3k1q s PRO 351 Cb -0.03 -2.77 1.01 0.00 0.02 0.00 0.00 34.50 32.74 3k1q s PRO 351 CO 0.05 0.29 1.60 0.66 -0.33 0.00 0.00 177.00 179.27 3k1q n TYR 352 N 0.49 0.00 1.12 6.54 4.02 -1.26 -3.08 117.16 124.99 3k1q n TYR 352 Ca 0.01 0.00 0.12 0.00 -0.01 0.00 0.00 57.90 58.02 3k1q n TYR 352 Cb 0.51 0.00 0.18 0.00 -0.02 0.00 0.00 39.34 40.01 3k1q n TYR 352 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 3k1q n ARG 353 N -0.79 0.88 -3.53 -0.72 3.00 -1.26 -5.00 116.66 109.25 3k1q n ARG 353 Ca 0.13 -0.64 -0.14 0.00 -0.01 0.00 0.00 57.85 57.19 3k1q n ARG 353 Cb 0.06 -1.49 -0.05 0.00 0.00 0.00 0.00 32.46 30.98 3k1q n ARG 353 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 3k1q s VAL 354 N -2.55 0.02 -0.12 1.55 0.11 -1.18 -5.00 120.40 113.23 3k1q s VAL 354 Ca 0.20 -0.14 -0.09 0.00 -2.93 0.00 0.00 61.98 59.03 3k1q s VAL 354 Cb 0.18 -0.99 -0.04 0.00 -1.53 0.00 0.00 36.38 34.00 3k1q s VAL 354 CO 0.57 -0.08 0.18 -1.81 -3.33 0.00 0.00 175.10 170.64 3k1q s ASP 355 N -1.97 6.42 -0.30 3.54 -0.00 -1.26 -4.67 116.67 118.43 3k1q s ASP 355 Ca -0.05 0.50 0.03 0.00 -0.00 0.00 0.00 52.55 53.03 3k1q s ASP 355 Cb -0.01 -2.10 0.09 0.00 -0.00 0.00 0.00 42.92 40.90 3k1q s ASP 355 CO -0.02 0.36 0.01 -1.10 -0.00 0.00 0.00 175.17 174.42 3k1q s GLN 356 N -0.80 1.58 -0.47 8.23 -1.52 -1.25 -3.39 119.66 122.05 3k1q s GLN 356 Ca 0.15 -1.56 -0.02 0.00 -1.95 0.00 0.00 55.36 51.99 3k1q s GLN 356 Cb -0.13 -2.92 0.12 0.00 -0.22 0.00 0.00 33.01 29.87 3k1q s GLN 356 CO 0.04 -0.82 0.26 0.42 -0.25 0.00 0.00 175.29 174.95 3k1q s ILE 357 N 1.09 3.31 0.00 1.08 1.09 0.65 -4.57 121.20 123.85 3k1q s ILE 357 Ca 0.04 -2.38 0.00 0.00 -1.10 0.00 0.00 60.65 57.21 3k1q s ILE 357 Cb -0.19 -3.25 0.00 0.00 -1.06 0.00 0.00 42.46 37.96 3k1q s ILE 357 CO -0.09 -0.74 0.00 -0.11 -0.10 0.00 0.00 174.94 173.90 3k1q n LEU 358 N 4.20 0.00 -0.23 2.97 7.94 -1.26 -2.08 117.00 128.54 3k1q n LEU 358 Ca 0.01 0.00 -0.07 0.00 -1.11 0.00 0.00 56.01 54.84 3k1q n LEU 358 Cb 0.40 0.00 0.07 0.00 0.53 0.00 0.00 43.42 44.42 3k1q n LEU 358 CO 0.33 0.00 0.93 0.10 -1.11 0.00 0.00 177.39 177.64 3k1q h TYR 359 N 1.78 1.15 -1.77 1.96 -0.00 -1.89 -3.39 116.97 114.81 3k1q h TYR 359 Ca 0.00 -0.14 -0.49 0.00 0.00 0.00 0.00 58.73 58.10 3k1q h TYR 359 Cb 0.00 -0.32 -0.00 0.00 0.00 0.00 0.00 36.73 36.41 3k1q h TYR 359 CO 0.00 0.95 1.55 -0.46 -0.00 0.00 0.00 178.16 180.20 3k1q s TRP 360 N -5.25 1.23 0.00 0.10 -0.00 -1.26 -4.87 118.94 108.89 3k1q s TRP 360 Ca -0.12 1.27 -0.02 0.00 -0.00 0.00 0.00 56.10 57.23 3k1q s TRP 360 Cb 0.15 -3.74 -0.11 0.00 -0.00 0.00 0.00 33.47 29.77 3k1q s TRP 360 CO 0.84 -2.66 1.79 -0.35 -0.00 0.00 0.00 176.95 176.57 3k1q n PRO 361 N 9.00 0.84 -0.02 5.86 -0.04 -1.26 -3.99 135.00 145.39 3k1q n PRO 361 Ca 0.32 -0.40 -0.16 0.00 -0.04 0.00 0.00 63.50 63.23 3k1q n PRO 361 Cb 0.53 -1.68 -0.11 0.00 -0.04 0.00 0.00 33.50 32.21 3k1q n PRO 361 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 3k1q h GLU 362 N 4.46 0.28 -6.38 0.54 4.81 -1.89 -3.48 114.58 112.92 3k1q h GLU 362 Ca 0.08 -0.27 -0.64 0.00 -0.13 0.00 0.00 59.36 58.39 3k1q h GLU 362 Cb 0.65 0.07 0.07 0.00 0.63 0.00 0.00 28.75 30.17 3k1q h GLU 362 CO 0.34 0.96 0.44 0.43 -0.73 0.00 0.00 179.01 180.46 3k1q n SER 363 N -4.41 1.87 -0.48 1.04 7.64 -1.26 -4.80 113.62 113.23 3k1q n SER 363 Ca -0.09 1.13 0.00 0.00 1.01 0.00 0.00 58.87 60.91 3k1q n SER 363 Cb 0.55 -1.27 0.00 0.00 -1.01 0.00 0.00 64.21 62.48 3k1q n SER 363 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 3k1q n PRO 364 N 2.23 0.85 -1.51 1.43 -0.04 -1.26 -4.90 135.00 131.80 3k1q n PRO 364 Ca 0.16 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.27 3k1q n PRO 364 Cb 0.24 -1.40 -0.15 0.00 -0.04 0.00 0.00 33.50 32.15 3k1q n PRO 364 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 3k1q n PHE 365 N 0.05 0.56 0.00 0.54 7.35 -1.26 -4.97 117.46 119.74 3k1q n PHE 365 Ca 0.00 0.24 0.00 0.00 -0.76 0.00 0.00 57.45 56.93 3k1q n PHE 365 Cb 0.20 -1.98 0.00 0.00 0.35 0.00 0.00 39.48 38.06 3k1q n PHE 365 CO 0.00 0.00 0.00 1.33 -0.76 0.00 0.00 176.76 177.33 3k1q n VAL 366 N 7.15 0.00 -3.31 -2.13 0.24 -1.26 -5.02 118.33 114.00 3k1q n VAL 366 Ca 0.62 0.00 -0.47 0.00 -2.04 0.00 0.00 64.34 62.45 3k1q n VAL 366 Cb 0.14 0.00 -0.02 0.00 -1.47 0.00 0.00 33.84 32.49 3k1q n VAL 366 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 3k1q s PRO 367 N -1.38 3.59 0.52 7.34 0.04 -1.26 -5.06 135.00 138.79 3k1q s PRO 367 Ca 0.00 -2.41 -0.18 0.00 0.04 0.00 0.00 61.00 58.45 3k1q s PRO 367 Cb 0.00 -4.45 -0.07 0.00 0.04 0.00 0.00 34.50 30.02 3k1q s PRO 367 CO 0.00 -1.32 1.02 -1.25 0.04 0.00 0.00 177.00 175.49 3k1q s PRO 368 N 0.32 3.74 0.13 0.56 0.04 -1.26 -5.00 135.00 133.52 3k1q s PRO 368 Ca 0.18 1.15 -0.29 0.00 0.04 0.00 0.00 61.00 62.09 3k1q s PRO 368 Cb -0.10 -2.10 -0.06 0.00 0.04 0.00 0.00 34.50 32.28 3k1q s PRO 368 CO -0.09 -0.46 1.59 0.82 0.04 0.00 0.00 177.00 178.91 3k1q h ILE 369 N 1.03 0.18 0.00 0.56 5.03 -1.94 -3.37 117.51 118.99 3k1q h ILE 369 Ca -0.48 0.00 -0.35 0.00 -0.12 0.00 0.00 64.86 63.92 3k1q h ILE 369 Cb 1.20 0.18 -0.06 0.00 -3.03 0.00 0.00 36.82 35.12 3k1q h ILE 369 CO 0.59 0.00 -2.22 0.61 -0.68 0.00 0.00 178.15 176.45 3k1q n GLY 370 N -1.43 -0.33 3.67 5.37 0.00 -1.26 -4.94 105.19 106.26 3k1q n GLY 370 Ca -0.04 -0.12 -0.48 0.00 0.00 0.00 0.00 46.02 45.37 3k1q n GLY 370 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3k1q n PRO 371 N -3.60 2.03 0.00 1.61 -0.02 -1.26 -4.50 135.00 129.26 3k1q n PRO 371 Ca -0.41 0.74 0.00 0.00 -2.02 0.00 0.00 63.50 61.81 3k1q n PRO 371 Cb 0.85 -2.52 0.00 0.00 -0.02 0.00 0.00 33.50 31.81 3k1q n PRO 371 CO 0.00 0.00 0.00 1.97 1.98 0.00 0.00 175.50 179.45 3k1q n PHE 372 N 4.73 0.00 -2.22 6.00 1.16 -1.22 -4.54 117.46 121.38 3k1q n PHE 372 Ca 0.20 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.78 3k1q n PHE 372 Cb 0.27 -0.44 0.00 0.00 -1.61 0.00 0.00 39.48 37.71 3k1q n PHE 372 CO 0.00 0.00 0.00 0.98 -1.87 0.00 0.00 176.76 175.87 3k1q n TYR 373 N -1.81 0.00 0.00 2.97 9.36 -1.26 -4.97 117.16 121.45 3k1q n TYR 373 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 3k1q n TYR 373 Cb 0.00 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.71 3k1q n TYR 373 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3k1q n ALA 374 N -3.00 -0.35 -1.82 2.98 0.00 -0.88 -0.26 120.51 117.17 3k1q n ALA 374 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.03 3k1q n ALA 374 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 3k1q n ALA 374 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 3k1q s PRO 375 N 0.00 4.34 0.33 0.00 0.02 -1.26 -3.99 135.00 134.44 3k1q s PRO 375 Ca 0.00 2.22 0.12 0.00 0.02 0.00 0.00 61.00 63.35 3k1q s PRO 375 Cb 0.00 -3.09 0.63 0.00 0.02 0.00 0.00 34.50 32.06 3k1q s PRO 375 CO 0.00 -0.25 1.24 1.19 -0.33 0.00 0.00 177.00 178.85 3k1q n PHE 376 N 1.37 0.40 -3.85 6.54 3.01 -1.26 -4.05 117.46 119.60 3k1q n PHE 376 Ca 0.02 0.21 -0.30 0.00 1.01 0.00 0.00 57.45 58.39 3k1q n PHE 376 Cb 0.42 -0.59 -0.15 0.00 -0.01 0.00 0.00 39.48 39.14 3k1q n PHE 376 CO 0.00 0.00 0.00 0.50 1.01 0.00 0.00 176.76 178.27 3k1q s ARG 377 N -3.29 1.13 -0.44 -1.08 3.52 -1.26 -5.06 118.95 112.47 3k1q s ARG 377 Ca -0.01 -1.17 -0.28 0.00 -0.13 0.00 0.00 55.73 54.13 3k1q s ARG 377 Cb 0.03 -2.44 0.03 0.00 -1.56 0.00 0.00 34.95 31.01 3k1q s ARG 377 CO 0.11 -0.84 1.09 -2.14 -0.81 0.00 0.00 175.30 172.71 3k1q s PRO 378 N 1.42 3.77 0.00 5.12 0.02 -1.26 -4.94 135.00 139.13 3k1q s PRO 378 Ca 0.05 0.60 0.00 0.00 0.02 0.00 0.00 61.00 61.67 3k1q s PRO 378 Cb -0.18 -3.88 0.00 0.00 0.02 0.00 0.00 34.50 30.46 3k1q s PRO 378 CO -0.15 -1.26 0.00 0.28 -0.33 0.00 0.00 177.00 175.54 3k1q n VAL 379 N 6.59 0.00 -3.45 3.83 0.31 -1.26 -5.14 118.33 119.21 3k1q n VAL 379 Ca 0.11 0.00 0.02 0.00 -0.01 0.00 0.00 64.34 64.46 3k1q n VAL 379 Cb 0.49 0.00 -0.05 0.00 -0.91 0.00 0.00 33.84 33.37 3k1q n VAL 379 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 3k1q s ASN 380 N -0.98 -0.29 -0.27 4.52 0.01 -1.26 -5.18 114.94 111.48 3k1q s ASN 380 Ca 0.00 0.43 -0.26 0.00 -0.71 0.00 0.00 52.86 52.32 3k1q s ASN 380 Cb 0.00 1.25 0.14 0.00 0.41 0.00 0.00 41.25 43.05 3k1q s ASN 380 CO 0.00 -0.06 1.12 0.72 -1.51 0.00 0.00 177.10 177.37 3k1q s PHE 381 N 1.77 -0.36 0.69 2.20 -0.71 -1.26 -5.16 117.98 115.16 3k1q s PHE 381 Ca -0.04 0.84 -0.16 0.00 -1.04 0.00 0.00 56.93 56.53 3k1q s PHE 381 Cb -0.03 0.40 0.02 0.00 -1.21 0.00 0.00 43.02 42.20 3k1q s PHE 381 CO -0.15 -0.20 1.21 -1.25 -1.34 0.00 0.00 175.22 173.49 3k1q s PRO 382 N -0.03 2.39 0.31 1.99 0.04 -1.26 -5.09 135.00 133.34 3k1q s PRO 382 Ca 0.04 1.76 -0.12 0.00 0.04 0.00 0.00 61.00 62.72 3k1q s PRO 382 Cb -0.04 -1.86 0.02 0.00 0.04 0.00 0.00 34.50 32.65 3k1q s PRO 382 CO -0.07 -1.65 0.59 -0.06 0.04 0.00 0.00 177.00 175.86 3k1q s PHE 383 N -1.89 0.40 -0.07 0.56 0.40 -1.26 -5.00 117.98 111.11 3k1q s PHE 383 Ca 0.75 -0.82 -0.32 0.00 -0.60 0.00 0.00 56.93 55.94 3k1q s PHE 383 Cb -0.29 0.36 0.13 0.00 0.51 0.00 0.00 43.02 43.73 3k1q s PHE 383 CO 0.42 -1.21 1.29 -0.08 0.70 0.00 0.00 175.22 176.34 3k1q s THR 384 N -3.32 0.00 -0.02 0.64 -1.32 -1.26 -5.01 115.64 105.35 3k1q s THR 384 Ca 0.21 -0.15 0.04 0.00 -1.21 0.00 0.00 61.69 60.58 3k1q s THR 384 Cb -0.03 -1.75 -0.03 0.00 -1.51 0.00 0.00 72.50 69.18 3k1q s THR 384 CO 0.12 0.00 -0.12 -0.89 -2.21 0.00 0.00 174.62 171.52 3k1q s THR 385 N -2.37 3.26 0.00 5.08 2.01 -1.25 0.33 115.64 122.69 3k1q s THR 385 Ca 0.13 -0.79 0.00 0.00 0.31 0.00 0.00 61.69 61.34 3k1q s THR 385 Cb 0.04 -2.34 0.00 0.00 0.01 0.00 0.00 72.50 70.21 3k1q s THR 385 CO -0.04 0.49 0.00 0.61 -0.69 0.00 0.00 174.62 174.99 3k1q n GLY 386 N 1.95 1.22 3.87 4.40 0.00 -0.38 -4.93 105.19 111.33 3k1q n GLY 386 Ca -0.17 0.21 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 3k1q n GLY 386 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3k1q s SER 387 N 0.00 6.30 -0.13 1.61 1.04 -1.26 -4.43 113.70 116.83 3k1q s SER 387 Ca 0.00 1.31 -0.23 0.00 0.48 0.00 0.00 55.95 57.52 3k1q s SER 387 Cb 0.00 -2.42 -0.03 0.00 0.10 0.00 0.00 66.02 63.67 3k1q s SER 387 CO 0.00 -0.74 0.69 -0.47 0.98 0.00 0.00 173.24 173.70 3k1q s TYR 388 N -2.96 3.49 -0.44 5.02 5.04 -1.25 -5.03 117.35 121.21 3k1q s TYR 388 Ca 0.54 1.13 -0.27 0.00 -2.44 0.00 0.00 57.07 56.02 3k1q s TYR 388 Cb -0.11 -2.82 -0.04 0.00 0.35 0.00 0.00 41.96 39.34 3k1q s TYR 388 CO 0.48 -0.04 2.08 0.95 -1.34 0.00 0.00 175.55 177.67 3k1q s THR 389 N 1.35 3.22 -1.11 4.34 -4.23 -1.26 -4.93 115.64 113.02 3k1q s THR 389 Ca 0.34 0.18 -0.25 0.00 -1.18 0.00 0.00 61.69 60.78 3k1q s THR 389 Cb -0.17 -3.43 -0.14 0.00 1.34 0.00 0.00 72.50 70.10 3k1q s THR 389 CO 0.14 -0.36 2.03 -0.69 -0.54 0.00 0.00 174.62 175.20 3k1q s VAL 390 N 9.41 3.31 -0.32 2.29 1.01 -1.26 -4.95 120.40 129.90 3k1q s VAL 390 Ca 0.85 -0.51 -0.14 0.00 0.00 0.00 0.00 61.98 62.18 3k1q s VAL 390 Cb -0.20 -4.25 -0.02 0.00 0.00 0.00 0.00 36.38 31.91 3k1q s VAL 390 CO 0.28 -0.58 0.32 -0.69 0.00 0.00 0.00 175.10 174.43 3k1q s VAL 391 N 13.52 5.21 0.73 2.92 1.01 -1.26 -5.11 120.40 137.42 3k1q s VAL 391 Ca 0.75 0.15 -0.16 0.00 0.00 0.00 0.00 61.98 62.71 3k1q s VAL 391 Cb -0.03 -3.74 -0.02 0.00 0.00 0.00 0.00 36.38 32.59 3k1q s VAL 391 CO 0.14 0.03 0.64 -2.65 0.00 0.00 0.00 175.10 173.26 3k1q n PRO 392 N 5.29 0.32 -1.52 2.72 -0.02 -1.26 -4.81 135.00 135.71 3k1q n PRO 392 Ca -0.10 0.15 -0.46 0.00 -2.02 0.00 0.00 63.50 61.07 3k1q n PRO 392 Cb 0.50 -1.93 -0.05 0.00 -0.02 0.00 0.00 33.50 32.00 3k1q n PRO 392 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 3k1q n ASP 393 N -0.72 2.68 -4.53 2.55 4.64 -1.26 -4.84 116.55 115.07 3k1q n ASP 393 Ca 0.11 0.28 -0.43 0.00 -1.38 0.00 0.00 54.79 53.37 3k1q n ASP 393 Cb 0.50 -1.41 -0.04 0.00 -1.04 0.00 0.00 41.12 39.13 3k1q n ASP 393 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3k1q s ALA 394 N 7.97 3.10 -0.87 -1.67 0.00 -0.49 -4.89 121.76 124.91 3k1q s ALA 394 Ca 1.05 -1.25 0.00 0.00 0.00 0.00 0.00 51.96 51.76 3k1q s ALA 394 Cb -0.58 -3.84 0.00 0.00 0.00 0.00 0.00 23.12 18.70 3k1q s ALA 394 CO 0.42 -2.54 0.31 -1.13 0.00 0.00 0.00 175.76 172.82 3k1q n SER 395 N 7.79 0.70 -4.07 0.00 3.41 -1.26 -1.86 113.62 118.33 3k1q n SER 395 Ca 0.02 -1.11 -0.24 0.00 -0.26 0.00 0.00 58.87 57.28 3k1q n SER 395 Cb 0.48 -0.28 -0.16 0.00 -0.26 0.00 0.00 64.21 63.99 3k1q n SER 395 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3k1q s ARG 396 N -0.82 1.50 0.31 4.33 1.04 -1.26 -4.79 118.95 119.26 3k1q s ARG 396 Ca 0.00 -0.47 -0.27 0.00 -1.04 0.00 0.00 55.73 53.95 3k1q s ARG 396 Cb 0.00 -1.31 -0.14 0.00 -2.04 0.00 0.00 34.95 31.47 3k1q s ARG 396 CO 0.00 0.15 1.00 -0.35 -0.04 0.00 0.00 175.30 176.07 3k1q n PRO 397 N 3.35 1.36 -4.81 3.89 -0.04 -1.25 -4.00 135.00 133.50 3k1q n PRO 397 Ca -0.19 0.48 -0.33 0.00 -0.04 0.00 0.00 63.50 63.42 3k1q n PRO 397 Cb 0.53 -1.87 -0.15 0.00 -0.04 0.00 0.00 33.50 31.97 3k1q n PRO 397 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3k1q s LEU 398 N 0.33 2.59 0.33 1.53 2.96 -1.23 -5.05 118.68 120.14 3k1q s LEU 398 Ca 0.59 -0.38 -0.29 0.00 -0.22 0.00 0.00 54.13 53.84 3k1q s LEU 398 Cb -0.68 -1.58 -0.10 0.00 0.50 0.00 0.00 46.19 44.34 3k1q s LEU 398 CO 0.60 0.15 1.28 -0.13 -1.32 0.00 0.00 176.35 176.93 3k1q s ARG 399 N 0.41 4.36 -0.21 1.98 3.00 -1.26 0.14 118.95 127.37 3k1q s ARG 399 Ca -0.11 2.15 0.01 0.00 0.00 0.00 0.00 55.73 57.77 3k1q s ARG 399 Cb -0.16 -3.05 0.05 0.00 0.00 0.00 0.00 34.95 31.78 3k1q s ARG 399 CO 0.05 -0.16 -0.08 -1.17 0.00 0.00 0.00 175.30 173.94 3k1q s LEU 400 N -1.81 2.32 -0.65 2.53 2.96 -0.76 -4.78 118.68 118.47 3k1q s LEU 400 Ca 0.49 -0.96 -0.27 0.00 -0.22 0.00 0.00 54.13 53.17 3k1q s LEU 400 Cb -0.38 -1.18 0.01 0.00 0.50 0.00 0.00 46.19 45.13 3k1q s LEU 400 CO 0.51 -0.18 1.51 -0.22 -1.32 0.00 0.00 176.35 176.65 3k1q s LEU 401 N 1.42 3.26 -1.17 -0.68 2.96 -1.26 -4.79 118.68 118.41 3k1q s LEU 401 Ca -0.03 -0.01 -0.21 0.00 -0.22 0.00 0.00 54.13 53.66 3k1q s LEU 401 Cb -0.17 -2.67 -0.02 0.00 0.50 0.00 0.00 46.19 43.83 3k1q s LEU 401 CO -0.07 -1.99 1.83 -2.84 -1.32 0.00 0.00 176.35 171.96 3k1q s PRO 402 N 6.12 3.06 0.04 0.98 0.02 -1.26 -4.96 135.00 138.99 3k1q s PRO 402 Ca 0.50 -1.32 -0.30 0.00 0.02 0.00 0.00 61.00 59.89 3k1q s PRO 402 Cb -0.10 -5.32 -0.07 0.00 0.02 0.00 0.00 34.50 29.03 3k1q s PRO 402 CO 0.19 -3.23 1.48 -1.14 -0.33 0.00 0.00 177.00 173.97 3k1q s GLN 403 N 5.71 4.26 0.03 5.54 -0.44 -1.26 -4.83 119.66 128.67 3k1q s GLN 403 Ca 0.62 2.10 -0.07 0.00 -2.50 0.00 0.00 55.36 55.51 3k1q s GLN 403 Cb 0.00 -3.54 -0.05 0.00 -1.64 0.00 0.00 33.01 27.78 3k1q s GLN 403 CO 0.08 -0.61 0.31 0.71 0.50 0.00 0.00 175.29 176.28 3k1q s TYR 404 N 2.30 3.57 -0.00 1.67 1.51 -1.26 -0.07 117.35 125.08 3k1q s TYR 404 Ca 0.67 0.62 0.06 0.00 -1.01 0.00 0.00 57.07 57.42 3k1q s TYR 404 Cb -0.35 -2.03 -0.03 0.00 -0.11 0.00 0.00 41.96 39.45 3k1q s TYR 404 CO 0.29 0.58 -0.20 0.50 -1.11 0.00 0.00 175.55 175.61 3k1q s ARG 405 N -1.85 2.18 0.00 -0.62 3.52 -1.05 -4.70 118.95 116.43 3k1q s ARG 405 Ca 0.30 -0.89 0.00 0.00 -0.13 0.00 0.00 55.73 55.00 3k1q s ARG 405 Cb -0.13 -2.19 0.00 0.00 -1.56 0.00 0.00 34.95 31.07 3k1q s ARG 405 CO 0.17 0.57 0.00 0.27 -0.81 0.00 0.00 175.30 175.50 3k1q n ASN 406 N 2.02 0.00 -4.22 -2.12 6.94 -1.26 -3.67 115.26 112.94 3k1q n ASN 406 Ca -0.16 0.00 -0.39 0.00 -0.02 0.00 0.00 54.58 54.00 3k1q n ASN 406 Cb 0.52 0.00 -0.10 0.00 -2.36 0.00 0.00 39.78 37.84 3k1q n ASN 406 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3k1q s ALA 407 N -1.08 3.27 -0.75 -2.53 0.00 -1.26 -5.00 121.76 114.41 3k1q s ALA 407 Ca 0.00 -2.29 -0.06 0.00 0.00 0.00 0.00 51.96 49.61 3k1q s ALA 407 Cb 0.00 -2.62 0.19 0.00 0.00 0.00 0.00 23.12 20.70 3k1q s ALA 407 CO 0.00 -1.72 0.61 0.95 0.00 0.00 0.00 175.76 175.60 3k1q s THR 408 N 1.35 4.40 0.34 0.00 -4.23 -1.26 -1.35 115.64 114.89 3k1q s THR 408 Ca 0.04 -3.04 -0.28 0.00 -1.18 0.00 0.00 61.69 57.23 3k1q s THR 408 Cb -0.24 -3.78 -0.12 0.00 1.34 0.00 0.00 72.50 69.70 3k1q s THR 408 CO 0.00 -0.97 1.39 0.00 -0.54 0.00 0.00 174.62 174.50 3k1q n ILE 409 N 3.34 1.85 -1.71 2.99 0.13 -0.73 -4.47 119.36 120.77 3k1q n ILE 409 Ca 0.13 -0.46 -0.42 0.00 -1.10 0.00 0.00 62.75 60.89 3k1q n ILE 409 Cb 0.40 -1.73 -0.03 0.00 -0.84 0.00 0.00 39.64 37.44 3k1q n ILE 409 CO 0.00 0.00 0.00 0.35 2.80 0.00 0.00 176.55 179.70 3k1q n THR 410 N 0.61 0.14 -0.34 9.51 -2.24 -1.26 -1.35 114.28 119.35 3k1q n THR 410 Ca 0.04 -0.02 0.03 0.00 -2.27 0.00 0.00 64.05 61.83 3k1q n THR 410 Cb 0.37 -2.05 0.10 0.00 -2.10 0.00 0.00 70.33 66.64 3k1q n THR 410 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 3k1q n VAL 411 N 4.26 -0.42 -0.29 2.28 0.31 -1.26 -1.18 118.33 122.03 3k1q n VAL 411 Ca 0.17 2.13 0.04 0.00 -0.01 0.00 0.00 64.34 66.67 3k1q n VAL 411 Cb 0.36 -2.90 0.18 0.00 -0.91 0.00 0.00 33.84 30.57 3k1q n VAL 411 CO 0.00 0.00 0.00 0.06 -1.32 0.00 0.00 176.83 175.57 3k1q h GLN 412 N 0.00 0.73 -0.10 5.55 -0.00 -1.99 -0.50 115.11 118.79 3k1q h GLN 412 Ca 0.40 -0.04 -0.03 0.00 -0.00 0.00 0.00 58.65 58.98 3k1q h GLN 412 Cb 0.63 -0.16 -0.00 0.00 -0.00 0.00 0.00 27.48 27.94 3k1q h GLN 412 CO -0.94 0.48 -0.04 0.37 -0.00 0.00 0.00 178.83 178.70 3k1q h GLN 413 N 0.75 0.20 -0.73 0.06 5.75 -1.55 0.22 115.11 119.81 3k1q h GLN 413 Ca 0.41 -0.09 0.11 0.00 -0.15 0.00 0.00 58.65 58.94 3k1q h GLN 413 Cb 0.43 -0.01 -0.13 0.00 1.07 0.00 0.00 27.48 28.84 3k1q h GLN 413 CO -0.27 0.54 -0.40 0.00 -2.65 0.00 0.00 178.83 176.05 3k1q h ALA 414 N 0.65 -0.11 0.60 3.38 0.00 -0.78 0.17 119.26 123.18 3k1q h ALA 414 Ca 0.02 0.18 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 3k1q h ALA 414 Cb 0.48 0.95 -0.01 0.00 0.00 0.00 0.00 17.79 19.20 3k1q h ALA 414 CO 0.01 -0.73 -0.46 -0.44 0.00 0.00 0.00 179.25 177.63 3k1q h ASP 415 N -0.13 -1.21 -0.86 0.00 3.32 -0.68 -0.10 116.42 116.77 3k1q h ASP 415 Ca 0.24 0.08 0.12 0.00 0.02 0.00 0.00 57.03 57.50 3k1q h ASP 415 Cb 0.56 0.38 -0.13 0.00 0.22 0.00 0.00 39.33 40.35 3k1q h ASP 415 CO -0.79 -0.66 -0.36 -0.67 -1.72 0.00 0.00 179.24 175.04 3k1q n ASP 416 N -5.57 -0.61 -0.02 6.45 -0.08 0.74 -0.86 116.55 116.61 3k1q n ASP 416 Ca -0.13 1.50 -0.02 0.00 -1.51 0.00 0.00 54.79 54.63 3k1q n ASP 416 Cb 0.46 -0.32 0.23 0.00 2.34 0.00 0.00 41.12 43.83 3k1q n ASP 416 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3k1q h ALA 417 N 1.06 1.21 -0.20 -1.67 0.00 -0.08 -1.08 119.26 118.51 3k1q h ALA 417 Ca 0.27 -0.27 0.04 0.00 0.00 0.00 0.00 54.91 54.96 3k1q h ALA 417 Cb 0.49 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 3k1q h ALA 417 CO -0.84 0.51 -0.08 -0.92 0.00 0.00 0.00 179.25 177.91 3k1q h TYR 418 N 0.52 -0.19 -0.97 0.00 3.20 -0.48 -1.24 116.97 117.80 3k1q h TYR 418 Ca 0.10 0.02 0.14 0.00 3.14 0.00 0.00 58.73 62.13 3k1q h TYR 418 Cb 0.48 0.12 -0.09 0.00 1.54 0.00 0.00 36.73 38.78 3k1q h TYR 418 CO 0.02 -0.13 0.61 0.93 -1.64 0.00 0.00 178.16 177.95 3k1q h GLU 419 N -0.06 0.84 -0.53 1.82 5.08 -0.72 0.27 114.58 121.28 3k1q h GLU 419 Ca 0.10 -0.05 -0.10 0.00 -1.00 0.00 0.00 59.36 58.32 3k1q h GLU 419 Cb 0.21 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 3k1q h GLU 419 CO -0.23 0.55 -0.04 -0.44 -1.00 0.00 0.00 179.01 177.85 3k1q h ASP 420 N 0.86 0.96 0.00 1.42 3.32 -0.62 -3.36 116.42 119.01 3k1q h ASP 420 Ca 0.50 -0.33 0.00 0.00 0.02 0.00 0.00 57.03 57.22 3k1q h ASP 420 Cb 0.64 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.93 3k1q h ASP 420 CO -0.27 1.06 -1.37 0.35 -1.72 0.00 0.00 179.24 177.29 3k1q n THR 421 N -4.23 0.00 -1.66 0.35 -2.24 -0.52 -5.01 114.28 100.97 3k1q n THR 421 Ca 0.01 -0.25 -0.46 0.00 -2.27 0.00 0.00 64.05 61.08 3k1q n THR 421 Cb 0.36 0.53 -0.04 0.00 -2.10 0.00 0.00 70.33 69.08 3k1q n THR 421 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3k1q n ALA 422 N -1.80 0.90 0.05 6.98 0.00 0.92 0.14 120.51 127.70 3k1q n ALA 422 Ca -0.00 0.44 -0.07 0.00 0.00 0.00 0.00 53.44 53.82 3k1q n ALA 422 Cb 0.39 -2.27 -0.11 0.00 0.00 0.00 0.00 19.45 17.45 3k1q n ALA 422 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3k1q h LEU 423 N 5.00 0.00 -9.82 0.00 5.85 -1.42 -3.44 115.31 111.47 3k1q h LEU 423 Ca -0.45 0.00 -0.56 0.00 0.84 0.00 0.00 57.88 57.71 3k1q h LEU 423 Cb 1.28 0.00 0.11 0.00 0.37 0.00 0.00 40.66 42.42 3k1q h LEU 423 CO 0.82 0.96 0.58 -1.20 -0.34 0.00 0.00 178.44 179.26 3k1q n SER 424 N -3.28 3.00 -4.79 1.25 7.64 -1.14 -4.64 113.62 111.65 3k1q n SER 424 Ca -0.03 1.19 -0.33 0.00 1.01 0.00 0.00 58.87 60.70 3k1q n SER 424 Cb 0.95 -1.53 0.01 0.00 -1.01 0.00 0.00 64.21 62.63 3k1q n SER 424 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 3k1q s PRO 425 N -2.04 3.27 0.01 1.43 0.04 -1.26 -5.02 135.00 131.44 3k1q s PRO 425 Ca 0.56 1.34 -0.22 0.00 0.04 0.00 0.00 61.00 62.72 3k1q s PRO 425 Cb -0.53 -2.02 0.05 0.00 0.04 0.00 0.00 34.50 32.04 3k1q s PRO 425 CO 0.61 -0.87 0.48 -1.17 0.04 0.00 0.00 177.00 176.10 3k1q s LEU 426 N -4.33 0.11 -0.68 -3.56 2.96 -1.26 -4.97 118.68 106.95 3k1q s LEU 426 Ca 0.66 0.24 -0.27 0.00 -0.22 0.00 0.00 54.13 54.55 3k1q s LEU 426 Cb -0.18 1.94 0.00 0.00 0.50 0.00 0.00 46.19 48.45 3k1q s LEU 426 CO 0.34 -0.62 1.58 0.27 -1.32 0.00 0.00 176.35 176.60 3k1q s ILE 427 N -1.91 3.53 -0.28 6.68 -5.25 -1.26 -4.46 121.20 118.25 3k1q s ILE 427 Ca -0.08 0.29 -0.31 0.00 -0.99 0.00 0.00 60.65 59.56 3k1q s ILE 427 Cb -0.02 -4.42 -0.08 0.00 2.95 0.00 0.00 42.46 40.90 3k1q s ILE 427 CO 0.02 -1.37 2.22 0.35 -1.79 0.00 0.00 174.94 174.37 3k1q n THR 428 N 6.81 0.26 -1.55 8.37 -2.24 -1.26 -5.01 114.28 119.66 3k1q n THR 428 Ca 0.12 -0.38 -0.45 0.00 -2.27 0.00 0.00 64.05 61.07 3k1q n THR 428 Cb 0.51 -2.14 -0.04 0.00 -2.10 0.00 0.00 70.33 66.55 3k1q n THR 428 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 3k1q n THR 429 N 7.52 0.28 0.09 4.28 -1.04 -1.24 -4.90 114.28 119.27 3k1q n THR 429 Ca 0.35 -0.41 -0.12 0.00 -2.04 0.00 0.00 64.05 61.83 3k1q n THR 429 Cb 0.35 -2.29 -0.05 0.00 -1.82 0.00 0.00 70.33 66.51 3k1q n THR 429 CO 0.00 0.00 0.00 0.45 -0.64 0.00 0.00 175.07 174.88 3k1q h HIS 430 N 14.42 -0.79 0.00 -1.42 3.86 -1.95 -0.16 115.15 129.11 3k1q h HIS 430 Ca -0.36 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 58.87 3k1q h HIS 430 Cb 1.27 0.34 0.00 0.00 1.06 0.00 0.00 27.41 30.08 3k1q h HIS 430 CO 0.95 -0.39 0.00 0.41 0.86 0.00 0.00 177.93 179.76 3k1q n GLY 431 N -1.40 0.43 3.25 2.45 0.00 -1.26 -1.02 105.19 107.64 3k1q n GLY 431 Ca -0.06 -1.00 -0.31 0.00 0.00 0.00 0.00 46.02 44.65 3k1q n GLY 431 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3k1q s PHE 432 N 0.00 2.41 0.17 1.61 0.40 -1.26 -4.80 117.98 116.52 3k1q s PHE 432 Ca 0.00 -0.76 -0.13 0.00 -0.60 0.00 0.00 56.93 55.44 3k1q s PHE 432 Cb 0.00 -1.59 0.08 0.00 0.51 0.00 0.00 43.02 42.02 3k1q s PHE 432 CO 0.00 -0.24 1.79 0.00 0.70 0.00 0.00 175.22 177.46 3k1q s VAL 434 N -5.87 0.56 -0.62 0.00 1.01 -0.90 -0.90 120.40 113.68 3k1q s VAL 434 Ca -0.13 -0.19 0.04 0.00 0.00 0.00 0.00 61.98 61.70 3k1q s VAL 434 Cb 0.13 -0.55 0.16 0.00 0.00 0.00 0.00 36.38 36.12 3k1q s VAL 434 CO 0.77 0.21 0.42 0.42 0.00 0.00 0.00 175.10 176.91 3k1q s THR 435 N 0.54 2.41 0.00 3.92 -4.23 0.13 -4.49 115.64 113.91 3k1q s THR 435 Ca -0.07 -3.79 0.00 0.00 -1.18 0.00 0.00 61.69 56.64 3k1q s THR 435 Cb -0.11 -2.61 0.00 0.00 1.34 0.00 0.00 72.50 71.13 3k1q s THR 435 CO 0.00 -0.99 0.00 0.61 -0.54 0.00 0.00 174.62 173.70 3k1q n GLY 436 N 2.38 1.94 2.91 3.99 0.00 -1.26 -4.20 105.19 110.95 3k1q n GLY 436 Ca 0.18 -0.64 -0.31 0.00 0.00 0.00 0.00 46.02 45.24 3k1q n GLY 436 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k1q n GLY 437 N 0.00 4.22 2.73 -0.02 0.00 -1.26 -1.44 105.19 109.42 3k1q n GLY 437 Ca 0.00 -2.63 -0.20 0.00 0.00 0.00 0.00 46.02 43.19 3k1q n GLY 437 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3k1q s VAL 438 N -1.64 -0.22 -0.03 1.61 1.01 -1.09 -4.31 120.40 115.72 3k1q s VAL 438 Ca 0.28 0.06 -0.29 0.00 0.00 0.00 0.00 61.98 62.04 3k1q s VAL 438 Cb -0.02 -0.48 0.10 0.00 0.00 0.00 0.00 36.38 35.98 3k1q s VAL 438 CO -0.12 -0.08 0.88 0.12 0.00 0.00 0.00 175.10 175.90 3k1q s PHE 439 N 2.25 -0.38 -0.23 5.22 5.36 -1.03 -3.73 117.98 125.43 3k1q s PHE 439 Ca 0.04 0.36 0.00 0.00 -0.96 0.00 0.00 56.93 56.38 3k1q s PHE 439 Cb -0.14 0.51 0.06 0.00 -0.34 0.00 0.00 43.02 43.11 3k1q s PHE 439 CO -0.08 -0.52 -0.04 -0.08 -1.46 0.00 0.00 175.22 173.04 3k1q s THR 440 N -2.61 1.40 -0.44 0.12 -1.32 -1.26 -0.71 115.64 110.81 3k1q s THR 440 Ca 0.02 -1.15 -0.18 0.00 -1.21 0.00 0.00 61.69 59.17 3k1q s THR 440 Cb -0.01 -1.70 0.03 0.00 -1.51 0.00 0.00 72.50 69.31 3k1q s THR 440 CO -0.06 -0.13 0.51 -0.44 -2.21 0.00 0.00 174.62 172.30 3k1q s SER 441 N 1.45 6.23 0.38 8.08 0.01 -0.62 -4.99 113.70 124.23 3k1q s SER 441 Ca -0.05 -0.66 -0.25 0.00 1.31 0.00 0.00 55.95 56.30 3k1q s SER 441 Cb -0.19 -2.25 -0.09 0.00 0.21 0.00 0.00 66.02 63.70 3k1q s SER 441 CO -0.07 -0.68 1.07 0.27 0.41 0.00 0.00 173.24 174.24 3k1q s ILE 442 N 2.35 3.62 -0.02 1.44 -5.25 -1.26 -1.86 121.20 120.22 3k1q s ILE 442 Ca 0.15 1.31 0.04 0.00 -0.99 0.00 0.00 60.65 61.16 3k1q s ILE 442 Cb -0.17 -3.71 -0.01 0.00 2.95 0.00 0.00 42.46 41.52 3k1q s ILE 442 CO 0.14 0.07 -0.14 -0.31 -1.79 0.00 0.00 174.94 172.92 3k1q s TYR 443 N -1.55 1.30 -0.01 1.37 1.51 -0.66 -4.88 117.35 114.43 3k1q s TYR 443 Ca 0.56 -0.29 -0.12 0.00 -1.01 0.00 0.00 57.07 56.20 3k1q s TYR 443 Cb -0.24 -0.86 0.02 0.00 -0.11 0.00 0.00 41.96 40.76 3k1q s TYR 443 CO 0.31 -0.07 0.25 -0.51 -1.11 0.00 0.00 175.55 174.42 3k1q s ASP 444 N -0.14 -0.13 0.62 2.29 1.01 -1.26 -1.01 116.67 118.06 3k1q s ASP 444 Ca 0.02 0.02 -0.18 0.00 0.71 0.00 0.00 52.55 53.12 3k1q s ASP 444 Cb -0.07 0.30 -0.12 0.00 1.01 0.00 0.00 42.92 44.03 3k1q s ASP 444 CO 0.00 -0.40 0.01 0.00 0.21 0.00 0.00 175.17 174.99 3k1q n ILE 445 N 1.45 0.71 -3.62 0.77 0.13 0.82 -4.23 119.36 115.38 3k1q n ILE 445 Ca -0.21 -0.48 -0.09 0.00 -1.10 0.00 0.00 62.75 60.87 3k1q n ILE 445 Cb 0.56 -0.25 -0.06 0.00 -0.84 0.00 0.00 39.64 39.05 3k1q n ILE 445 CO 0.00 0.00 0.00 -0.94 2.80 0.00 0.00 176.55 178.41 3k1q s SER 446 N -1.11 -0.38 0.00 9.51 1.04 -1.26 -5.02 113.70 116.47 3k1q s SER 446 Ca 0.58 0.64 0.00 0.00 0.48 0.00 0.00 55.95 57.66 3k1q s SER 446 Cb -0.42 0.62 0.00 0.00 0.10 0.00 0.00 66.02 66.32 3k1q s SER 446 CO 0.65 -0.19 0.42 0.61 0.98 0.00 0.00 173.24 175.70 3k1q n GLY 447 N 1.68 0.86 0.01 7.32 0.00 -1.26 -4.24 105.19 109.55 3k1q n GLY 447 Ca -0.11 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.02 3k1q n GLY 447 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3k1q n ASP 448 N 0.73 0.11 -4.63 1.61 8.00 -1.26 -4.95 116.55 116.17 3k1q n ASP 448 Ca 0.00 -0.05 -0.43 0.00 0.71 0.00 0.00 54.79 55.02 3k1q n ASP 448 Cb 0.21 1.84 -0.02 0.00 -0.02 0.00 0.00 41.12 43.13 3k1q n ASP 448 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 3k1q s PRO 449 N -3.47 3.91 -0.03 -0.24 0.04 -1.26 -4.78 135.00 129.16 3k1q s PRO 449 Ca -0.06 1.34 -0.08 0.00 0.04 0.00 0.00 61.00 62.24 3k1q s PRO 449 Cb 0.14 -3.90 -0.03 0.00 0.04 0.00 0.00 34.50 30.75 3k1q s PRO 449 CO 0.90 -1.13 -0.15 0.25 0.04 0.00 0.00 177.00 176.91 3k1q n THR 450 N 6.20 1.15 -3.11 1.26 -2.24 -1.26 -4.94 114.28 111.34 3k1q n THR 450 Ca 0.15 0.27 -0.22 0.00 -2.27 0.00 0.00 64.05 61.98 3k1q n THR 450 Cb 0.46 -1.85 -0.04 0.00 -2.10 0.00 0.00 70.33 66.80 3k1q n THR 450 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3k1q n ALA 451 N -3.74 3.12 -3.91 6.98 0.00 -1.26 -5.02 120.51 116.67 3k1q n ALA 451 Ca -0.06 -3.95 -0.30 0.00 0.00 0.00 0.00 53.44 49.13 3k1q n ALA 451 Cb 0.22 -0.85 -0.14 0.00 0.00 0.00 0.00 19.45 18.68 3k1q n ALA 451 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3k1q s TYR 452 N -2.74 2.98 0.89 0.00 1.51 -1.26 -4.98 117.35 113.75 3k1q s TYR 452 Ca 0.43 -3.01 -0.12 0.00 -1.01 0.00 0.00 57.07 53.36 3k1q s TYR 452 Cb 0.30 -2.64 0.17 0.00 -0.11 0.00 0.00 41.96 39.68 3k1q s TYR 452 CO -0.10 -0.76 1.23 -1.25 -1.11 0.00 0.00 175.55 173.55 3k1q s PRO 453 N -0.08 1.03 0.28 -1.71 0.04 -1.26 -2.18 135.00 131.12 3k1q s PRO 453 Ca 0.17 -0.52 0.08 0.00 0.04 0.00 0.00 61.00 60.76 3k1q s PRO 453 Cb -0.25 -1.98 0.82 0.00 0.04 0.00 0.00 34.50 33.14 3k1q s PRO 453 CO -0.01 -2.09 1.30 -2.30 0.04 0.00 0.00 177.00 173.94 3k1q n PRO 454 N -3.49 -0.06 0.17 0.56 -0.02 -1.26 -1.32 135.00 129.58 3k1q n PRO 454 Ca 0.14 1.20 0.09 0.00 -2.02 0.00 0.00 63.50 62.91 3k1q n PRO 454 Cb 0.60 -1.99 0.47 0.00 -0.02 0.00 0.00 33.50 32.55 3k1q n PRO 454 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3k1q h ALA 455 N 1.65 1.13 0.07 3.55 0.00 -1.98 0.11 119.26 123.79 3k1q h ALA 455 Ca 0.58 0.00 -0.28 0.00 0.00 0.00 0.00 54.91 55.21 3k1q h ALA 455 Cb 1.36 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.13 3k1q h ALA 455 CO -0.72 -0.13 -1.42 0.37 0.00 0.00 0.00 179.25 177.35 3k1q h GLN 456 N 0.00 0.15 -6.44 0.00 -0.00 -1.58 -3.47 115.11 103.77 3k1q h GLN 456 Ca 0.00 -0.25 -0.57 0.00 -0.00 0.00 0.00 58.65 57.83 3k1q h GLN 456 Cb 0.38 0.09 -0.04 0.00 0.00 0.00 0.00 27.48 27.91 3k1q h GLN 456 CO 0.00 0.99 1.14 -0.51 0.00 0.00 0.00 178.83 180.45 3k1q s LEU 457 N -6.77 3.55 -0.24 -2.39 1.43 0.40 -4.96 118.68 109.70 3k1q s LEU 457 Ca -0.06 0.95 -0.29 0.00 -1.03 0.00 0.00 54.13 53.71 3k1q s LEU 457 Cb 0.08 -3.50 -0.03 0.00 0.03 0.00 0.00 46.19 42.76 3k1q s LEU 457 CO 0.84 -1.54 1.78 -0.69 0.23 0.00 0.00 176.35 176.96 3k1q s VAL 458 N 5.96 3.49 0.20 -1.59 1.01 -1.26 -4.93 120.40 123.28 3k1q s VAL 458 Ca 0.67 0.53 -0.30 0.00 0.00 0.00 0.00 61.98 62.88 3k1q s VAL 458 Cb -0.16 -3.55 -0.09 0.00 0.00 0.00 0.00 36.38 32.57 3k1q s VAL 458 CO 0.33 -0.28 1.41 -0.62 0.00 0.00 0.00 175.10 175.94 3k1q s ASP 459 N 5.35 6.74 0.06 3.32 3.68 -1.26 -4.92 116.67 129.64 3k1q s ASP 459 Ca 0.79 2.52 -0.03 0.00 2.13 0.00 0.00 52.55 57.96 3k1q s ASP 459 Cb -0.26 -2.61 -0.02 0.00 -1.45 0.00 0.00 42.92 38.58 3k1q s ASP 459 CO 0.32 -0.66 0.01 0.00 0.13 0.00 0.00 175.17 174.97 3k1q n ALA 460 N 2.95 -1.60 -1.52 3.66 0.00 -1.26 -4.77 120.51 117.97 3k1q n ALA 460 Ca 0.08 0.01 -0.44 0.00 0.00 0.00 0.00 53.44 53.09 3k1q n ALA 460 Cb 0.41 -0.20 -0.05 0.00 0.00 0.00 0.00 19.45 19.60 3k1q n ALA 460 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3k1q n PRO 461 N 0.19 1.26 0.00 0.00 -0.02 -1.26 -4.79 135.00 130.39 3k1q n PRO 461 Ca 0.01 0.28 0.00 0.00 -2.02 0.00 0.00 63.50 61.77 3k1q n PRO 461 Cb 0.06 -2.86 0.00 0.00 -0.02 0.00 0.00 33.50 30.68 3k1q n PRO 461 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 3k1q n ASN 462 N 11.89 1.02 0.00 2.55 6.94 -1.26 -0.40 115.26 136.01 3k1q n ASN 462 Ca 0.39 -0.72 0.00 0.00 -0.02 0.00 0.00 54.58 54.22 3k1q n ASN 462 Cb 0.36 -0.18 0.00 0.00 -2.36 0.00 0.00 39.78 37.59 3k1q n ASN 462 CO 0.00 0.00 0.00 -0.90 -1.03 0.00 0.00 177.26 175.33 3k1q n ASP 463 N 0.77 0.00 0.05 0.53 5.68 -1.26 -4.94 116.55 117.39 3k1q n ASP 463 Ca 0.00 -0.27 0.03 0.00 -0.50 0.00 0.00 54.79 54.05 3k1q n ASP 463 Cb 0.17 0.00 0.17 0.00 -1.14 0.00 0.00 41.12 40.32 3k1q n ASP 463 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3k1q n TYR 464 N 0.00 0.21 -3.95 2.11 9.36 0.47 -3.40 117.16 121.96 3k1q n TYR 464 Ca 0.00 0.11 -0.30 0.00 3.32 0.00 0.00 57.90 61.03 3k1q n TYR 464 Cb 0.07 -0.61 -0.15 0.00 -0.63 0.00 0.00 39.34 38.03 3k1q n TYR 464 CO 0.00 0.00 0.00 -0.06 0.22 0.00 0.00 176.86 177.02 3k1q s PHE 465 N -3.06 3.24 -0.01 2.98 0.08 -1.26 -4.79 117.98 115.16 3k1q s PHE 465 Ca -0.01 -2.90 -0.00 0.00 0.12 0.00 0.00 56.93 54.14 3k1q s PHE 465 Cb 0.02 -2.70 0.02 0.00 -0.57 0.00 0.00 43.02 39.79 3k1q s PHE 465 CO 0.06 -0.86 0.02 0.34 -0.10 0.00 0.00 175.22 174.68 3k1q s ASP 466 N 0.54 0.03 0.01 1.36 2.15 -1.22 -5.07 116.67 114.46 3k1q s ASP 466 Ca 0.13 0.04 -0.02 0.00 0.43 0.00 0.00 52.55 53.14 3k1q s ASP 466 Cb -0.22 -0.02 -0.00 0.00 -0.30 0.00 0.00 42.92 42.38 3k1q s ASP 466 CO -0.06 -0.07 0.18 0.54 -0.17 0.00 0.00 175.17 175.59 3k1q n ARG 467 N 3.67 -0.02 -0.31 4.34 3.00 -1.26 -0.91 116.66 125.17 3k1q n ARG 467 Ca -0.20 0.18 -0.04 0.00 -0.01 0.00 0.00 57.85 57.77 3k1q n ARG 467 Cb 0.55 -0.27 0.08 0.00 0.00 0.00 0.00 32.46 32.82 3k1q n ARG 467 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.63 179.12 3k1q h GLU 468 N 0.00 1.12 -0.78 5.56 4.57 -2.00 -0.68 114.58 122.38 3k1q h GLU 468 Ca 0.01 -0.09 -0.04 0.00 -1.18 0.00 0.00 59.36 58.06 3k1q h GLU 468 Cb 0.02 -0.24 -0.04 0.00 -0.16 0.00 0.00 28.75 28.33 3k1q h GLU 468 CO -0.05 0.77 0.34 0.00 -1.18 0.00 0.00 179.01 178.89 3k1q h ARG 469 N 1.14 1.13 -0.04 1.92 3.08 -1.61 -0.77 114.38 119.24 3k1q h ARG 469 Ca 0.30 -0.18 -0.00 0.00 0.07 0.00 0.00 59.98 60.17 3k1q h ARG 469 Cb -0.08 -0.20 -0.00 0.00 0.08 0.00 0.00 29.97 29.77 3k1q h ARG 469 CO -0.06 0.90 0.01 0.52 -1.07 0.00 0.00 179.97 180.27 3k1q h MET 470 N 1.12 0.06 -0.94 0.04 2.86 -0.50 -2.52 114.93 115.06 3k1q h MET 470 Ca 0.26 -0.02 0.19 0.00 -2.06 0.00 0.00 59.70 58.08 3k1q h MET 470 Cb 0.17 -0.01 -0.11 0.00 0.06 0.00 0.00 31.60 31.71 3k1q h MET 470 CO -0.03 0.28 0.51 0.00 1.06 0.00 0.00 176.91 178.74 3k1q h ALA 471 N 0.78 1.53 -0.61 6.32 0.00 -0.24 -0.28 119.26 126.75 3k1q h ALA 471 Ca 0.01 0.11 0.09 0.00 0.00 0.00 0.00 54.91 55.12 3k1q h ALA 471 Cb 0.25 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 17.97 3k1q h ALA 471 CO 0.00 -0.16 0.23 -0.09 0.00 0.00 0.00 179.25 179.23 3k1q h ARG 472 N 0.62 0.40 -0.39 0.00 1.12 -1.14 0.33 114.38 115.31 3k1q h ARG 472 Ca 0.55 -0.02 -0.13 0.00 -1.11 0.00 0.00 59.98 59.27 3k1q h ARG 472 Cb 0.92 -0.09 -0.01 0.00 -0.01 0.00 0.00 29.97 30.78 3k1q h ARG 472 CO -0.42 0.26 -0.28 -0.09 -3.11 0.00 0.00 179.97 176.33 3k1q h ARG 473 N 0.41 0.84 0.25 0.20 2.43 -0.62 -2.10 114.38 115.80 3k1q h ARG 473 Ca 0.31 -0.38 -0.01 0.00 -0.81 0.00 0.00 59.98 59.09 3k1q h ARG 473 Cb 0.38 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.92 3k1q h ARG 473 CO -0.31 1.02 -0.12 0.22 -1.51 0.00 0.00 179.97 179.27 3k1q h ASP 474 N 0.72 -0.29 -0.73 -3.80 3.58 -0.44 -1.34 116.42 114.11 3k1q h ASP 474 Ca 0.08 -0.14 0.14 0.00 0.42 0.00 0.00 57.03 57.54 3k1q h ASP 474 Cb 0.83 0.07 -0.14 0.00 1.72 0.00 0.00 39.33 41.82 3k1q h ASP 474 CO 0.07 -0.02 -0.22 0.25 -2.88 0.00 0.00 179.24 176.44 3k1q h LEU 475 N -0.56 -0.79 -0.14 2.28 5.85 -0.34 0.25 115.31 121.86 3k1q h LEU 475 Ca -0.03 0.23 -0.02 0.00 0.84 0.00 0.00 57.88 58.90 3k1q h LEU 475 Cb 0.41 0.49 -0.01 0.00 0.37 0.00 0.00 40.66 41.93 3k1q h LEU 475 CO 0.06 -0.26 0.02 0.15 -0.34 0.00 0.00 178.44 178.07 3k1q h PHE 476 N -0.03 0.24 -0.19 1.25 3.57 -1.23 -2.23 116.94 118.33 3k1q h PHE 476 Ca 0.34 -0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.85 3k1q h PHE 476 Cb 0.55 -0.07 -0.07 0.00 2.79 0.00 0.00 35.95 39.15 3k1q h PHE 476 CO -0.61 0.40 -0.46 0.00 -2.23 0.00 0.00 178.31 175.42 3k1q h ARG 477 N 0.01 -0.47 -0.83 1.11 3.08 -0.70 -2.01 114.38 114.58 3k1q h ARG 477 Ca 0.04 0.03 0.18 0.00 0.07 0.00 0.00 59.98 60.30 3k1q h ARG 477 Cb 0.29 0.11 -0.15 0.00 0.08 0.00 0.00 29.97 30.29 3k1q h ARG 477 CO 0.00 -0.31 -0.13 0.00 -1.07 0.00 0.00 179.97 178.46 3k1q h ARG 478 N -0.48 0.02 -1.17 0.04 2.47 -0.49 -2.92 114.38 111.85 3k1q h ARG 478 Ca 0.08 -0.00 -0.23 0.00 -1.26 0.00 0.00 59.98 58.57 3k1q h ARG 478 Cb 0.63 -0.01 -0.12 0.00 -1.65 0.00 0.00 29.97 28.83 3k1q h ARG 478 CO -0.45 0.02 0.29 1.28 0.56 0.00 0.00 179.97 181.67 3k1q n LEU 479 N -5.49 5.03 -3.31 3.04 4.77 -0.76 -4.35 117.00 115.94 3k1q n LEU 479 Ca 0.14 -2.59 -0.09 0.00 -0.03 0.00 0.00 56.01 53.44 3k1q n LEU 479 Cb 0.47 -0.76 -0.06 0.00 -2.33 0.00 0.00 43.42 40.74 3k1q n LEU 479 CO -0.03 0.86 -0.06 -0.60 -1.33 0.00 0.00 177.39 176.23 3k1q s ARG 480 N -1.39 0.41 -0.47 3.23 6.06 -1.10 -0.06 118.95 125.63 3k1q s ARG 480 Ca 0.24 0.21 -0.01 0.00 -2.50 0.00 0.00 55.73 53.66 3k1q s ARG 480 Cb 0.20 -0.32 0.12 0.00 0.06 0.00 0.00 34.95 35.01 3k1q s ARG 480 CO 0.03 -0.96 0.25 0.00 -2.50 0.00 0.00 175.30 172.12 3k1q s ALA 481 N 2.55 3.25 -0.19 6.12 0.00 -1.26 -4.85 121.76 127.38 3k1q s ALA 481 Ca 0.10 -2.79 0.07 0.00 0.00 0.00 0.00 51.96 49.34 3k1q s ALA 481 Cb -0.13 -2.41 -0.16 0.00 0.00 0.00 0.00 23.12 20.43 3k1q s ALA 481 CO -0.28 -1.89 -0.09 -0.35 0.00 0.00 0.00 175.76 173.16 3k1q n PRO 482 N 4.13 0.86 0.00 0.00 -0.04 -1.26 -5.02 135.00 133.67 3k1q n PRO 482 Ca 0.02 0.07 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 3k1q n PRO 482 Cb 0.40 -1.41 0.00 0.00 -0.04 0.00 0.00 33.50 32.45 3k1q n PRO 482 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3k1q n ALA 483 N -2.90 0.00 -1.41 0.55 0.00 -1.26 -4.80 120.51 110.69 3k1q n ALA 483 Ca -0.32 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 52.87 3k1q n ALA 483 Cb 0.94 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 20.31 3k1q n ALA 483 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3k1q n ASP 484 N 0.00 6.28 -0.04 0.00 10.43 -1.26 -4.68 116.55 127.28 3k1q n ASP 484 Ca 0.00 -3.07 -0.12 0.00 2.57 0.00 0.00 54.79 54.17 3k1q n ASP 484 Cb 0.00 -1.27 -0.06 0.00 1.84 0.00 0.00 41.12 41.63 3k1q n ASP 484 CO 0.00 0.00 0.00 0.03 -1.07 0.00 0.00 177.20 176.16 3k1q h ARG 485 N 3.04 0.23 0.00 -1.24 3.08 -1.99 -1.89 114.38 115.61 3k1q h ARG 485 Ca 0.36 -0.08 -0.01 0.00 0.07 0.00 0.00 59.98 60.33 3k1q h ARG 485 Cb 0.85 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.88 3k1q h ARG 485 CO 0.77 0.48 -0.04 0.66 -1.07 0.00 0.00 179.97 180.77 3k1q h SER 486 N -0.04 0.00 0.14 7.04 4.64 -2.00 -2.43 113.55 120.91 3k1q h SER 486 Ca 0.04 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.35 3k1q h SER 486 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 3k1q h SER 486 CO 0.01 0.04 -0.07 0.00 -0.87 0.00 0.00 176.83 175.94 3k1q h ALA 487 N 1.96 -0.19 -0.73 5.18 0.00 -1.72 -1.93 119.26 121.82 3k1q h ALA 487 Ca -0.00 -0.18 0.14 0.00 0.00 0.00 0.00 54.91 54.87 3k1q h ALA 487 Cb 0.09 0.07 -0.10 0.00 0.00 0.00 0.00 17.79 17.86 3k1q h ALA 487 CO 0.01 -0.21 0.27 0.82 0.00 0.00 0.00 179.25 180.13 3k1q h ILE 488 N -0.98 0.64 -0.26 0.00 2.04 -1.31 0.05 117.51 117.69 3k1q h ILE 488 Ca -0.02 -0.14 0.03 0.00 1.00 0.00 0.00 64.86 65.73 3k1q h ILE 488 Cb 0.42 0.20 -0.04 0.00 -0.74 0.00 0.00 36.82 36.67 3k1q h ILE 488 CO 0.03 0.07 -0.20 0.11 0.00 0.00 0.00 178.15 178.17 3k1q h LYS 489 N 0.40 -0.05 -0.13 2.37 1.57 -1.41 -0.77 116.57 118.56 3k1q h LYS 489 Ca 0.40 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 59.01 3k1q h LYS 489 Cb 0.62 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.93 3k1q h LYS 489 CO -0.41 -0.03 -0.66 -0.44 -0.57 0.00 0.00 179.45 177.34 3k1q h ASP 490 N -0.05 0.56 -0.49 0.86 3.45 -0.21 -2.59 116.42 117.94 3k1q h ASP 490 Ca 0.04 -0.34 0.02 0.00 0.43 0.00 0.00 57.03 57.19 3k1q h ASP 490 Cb 0.16 -0.16 -0.03 0.00 -0.56 0.00 0.00 39.33 38.74 3k1q h ASP 490 CO -0.27 1.07 0.29 0.03 -1.57 0.00 0.00 179.24 178.78 3k1q h ARG 491 N 0.35 0.56 -0.36 3.56 3.08 -0.81 0.19 114.38 120.94 3k1q h ARG 491 Ca -0.02 -0.03 0.07 0.00 0.07 0.00 0.00 59.98 60.07 3k1q h ARG 491 Cb 1.22 -0.13 -0.06 0.00 0.08 0.00 0.00 29.97 31.08 3k1q h ARG 491 CO 0.12 0.37 -0.05 0.00 -1.07 0.00 0.00 179.97 179.33 3k1q h ALA 492 N 1.22 0.28 -0.76 0.04 0.00 -1.10 -0.94 119.26 118.01 3k1q h ALA 492 Ca 0.20 0.13 -0.05 0.00 0.00 0.00 0.00 54.91 55.19 3k1q h ALA 492 Cb 0.03 0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 3k1q h ALA 492 CO -0.10 -0.44 0.28 0.28 0.00 0.00 0.00 179.25 179.28 3k1q h VAL 493 N 0.04 1.26 0.00 0.00 2.07 -1.01 -1.24 116.25 117.36 3k1q h VAL 493 Ca 0.18 -0.85 -0.07 0.00 0.82 0.00 0.00 66.70 66.78 3k1q h VAL 493 Cb 0.26 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 3k1q h VAL 493 CO -0.34 0.34 -0.32 -0.26 0.02 0.00 0.00 177.57 177.01 3k1q h PHE 494 N 1.11 0.00 -0.05 1.57 0.05 -0.51 0.25 116.94 119.35 3k1q h PHE 494 Ca 0.25 0.00 -0.05 0.00 3.82 0.00 0.00 57.97 61.99 3k1q h PHE 494 Cb 0.25 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.20 3k1q h PHE 494 CO 0.02 0.32 -0.16 -0.44 -0.18 0.00 0.00 178.31 177.87 3k1q h ASP 495 N 0.00 0.23 -0.28 2.17 3.45 -0.72 -1.81 116.42 119.45 3k1q h ASP 495 Ca -0.00 -0.62 0.06 0.00 0.43 0.00 0.00 57.03 56.90 3k1q h ASP 495 Cb 0.86 -0.07 -0.07 0.00 -0.56 0.00 0.00 39.33 39.50 3k1q h ASP 495 CO 0.04 0.81 -0.16 0.15 -1.57 0.00 0.00 179.24 178.51 3k1q h PHE 496 N -0.34 -0.40 -0.51 4.55 3.57 -0.52 -1.78 116.94 121.52 3k1q h PHE 496 Ca -0.01 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.51 3k1q h PHE 496 Cb 0.79 0.22 -0.03 0.00 2.79 0.00 0.00 35.95 39.72 3k1q h PHE 496 CO 0.13 -0.23 0.25 1.25 -2.23 0.00 0.00 178.31 177.48 3k1q h LEU 497 N -0.13 0.63 -0.85 0.59 6.46 -0.60 -1.70 115.31 119.71 3k1q h LEU 497 Ca 0.15 -0.05 -0.12 0.00 -0.12 0.00 0.00 57.88 57.74 3k1q h LEU 497 Cb 0.35 -0.16 -0.01 0.00 -0.73 0.00 0.00 40.66 40.11 3k1q h LEU 497 CO -0.36 0.53 -0.52 0.00 -0.62 0.00 0.00 178.44 177.48 3k1q h ALA 498 N 1.57 1.04 0.00 1.25 0.00 -0.49 -2.91 119.26 119.72 3k1q h ALA 498 Ca 0.18 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3k1q h ALA 498 Cb 0.06 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3k1q h ALA 498 CO -0.03 0.66 0.10 0.77 0.00 0.00 0.00 179.25 180.76 3k1q h SER 499 N 0.11 0.00 -0.27 0.00 0.02 -0.65 -3.34 113.55 109.41 3k1q h SER 499 Ca 0.00 0.00 -0.27 0.00 -0.84 0.00 0.00 61.79 60.68 3k1q h SER 499 Cb 0.96 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.49 3k1q h SER 499 CO 0.07 0.00 0.87 0.18 -1.14 0.00 0.00 176.83 176.82 3k1q n LEU 500 N -2.99 2.50 -4.56 5.07 4.77 -1.10 -3.60 117.00 117.10 3k1q n LEU 500 Ca -0.03 -2.84 -0.34 0.00 -0.03 0.00 0.00 56.01 52.77 3k1q n LEU 500 Cb 0.16 -1.61 -0.11 0.00 -2.33 0.00 0.00 43.42 39.53 3k1q n LEU 500 CO 0.18 -2.29 -0.32 -0.69 -1.33 0.00 0.00 177.39 172.94 3k1q s VAL 501 N 12.27 4.19 -0.09 4.08 1.01 -1.25 -1.13 120.40 139.48 3k1q s VAL 501 Ca 0.72 -0.25 0.03 0.00 0.00 0.00 0.00 61.98 62.47 3k1q s VAL 501 Cb 0.00 -2.84 -0.01 0.00 0.00 0.00 0.00 36.38 33.53 3k1q s VAL 501 CO 0.16 0.50 -0.18 0.21 0.00 0.00 0.00 175.10 175.79 3k1q s ASN 502 N 0.21 3.61 0.10 3.32 3.84 -0.36 -4.89 114.94 120.78 3k1q s ASN 502 Ca -0.00 -0.39 -0.33 0.00 0.21 0.00 0.00 52.86 52.35 3k1q s ASN 502 Cb -0.13 -1.25 -0.13 0.00 -0.55 0.00 0.00 41.25 39.19 3k1q s ASN 502 CO 0.02 0.22 1.58 1.55 -2.79 0.00 0.00 177.10 177.68 3k1q h PRO 503 N 6.30 -0.74 -1.14 0.43 0.13 -1.86 -2.40 132.00 132.73 3k1q h PRO 503 Ca -0.30 0.05 0.32 0.00 -0.87 0.00 0.00 66.00 65.20 3k1q h PRO 503 Cb 1.20 0.17 -0.08 0.00 0.13 0.00 0.00 31.00 32.42 3k1q h PRO 503 CO 0.51 -0.49 0.77 1.15 -0.23 0.00 0.00 178.00 179.71 3k1q h THR 504 N -0.77 0.43 0.00 1.56 2.02 -1.87 0.25 112.91 114.53 3k1q h THR 504 Ca -0.01 -0.07 0.00 0.00 0.77 0.00 0.00 66.41 67.10 3k1q h THR 504 Cb 0.73 0.22 0.00 0.00 -1.74 0.00 0.00 68.15 67.36 3k1q h THR 504 CO -0.17 0.04 -1.08 0.35 0.37 0.00 0.00 175.52 175.03 3k1q n THR 505 N -4.44 0.01 -0.08 3.16 -2.24 -1.21 -4.54 114.28 104.93 3k1q n THR 505 Ca 0.27 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.98 3k1q n THR 505 Cb 1.10 0.79 0.00 0.00 -2.10 0.00 0.00 70.33 70.12 3k1q n THR 505 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3k1q n ALA 506 N -1.60 0.00 -2.62 6.98 0.00 0.86 -4.84 120.51 119.29 3k1q n ALA 506 Ca 0.03 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.21 3k1q n ALA 506 Cb 0.36 -0.37 -0.08 0.00 0.00 0.00 0.00 19.45 19.36 3k1q n ALA 506 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3k1q s ASN 507 N -2.66 4.54 1.15 0.00 0.01 -1.22 -1.76 114.94 115.01 3k1q s ASN 507 Ca 0.00 -0.48 -0.17 0.00 -0.71 0.00 0.00 52.86 51.49 3k1q s ASN 507 Cb 0.00 -0.88 0.16 0.00 0.41 0.00 0.00 41.25 40.94 3k1q s ASN 507 CO 0.00 0.09 0.27 -2.65 -1.51 0.00 0.00 177.10 173.30 3k1q n PRO 508 N -0.07 -1.95 -0.34 -0.60 -0.02 -1.26 -1.23 135.00 129.54 3k1q n PRO 508 Ca -0.10 -0.55 0.20 0.00 -2.02 0.00 0.00 63.50 61.03 3k1q n PRO 508 Cb 0.55 -1.82 0.44 0.00 -0.02 0.00 0.00 33.50 32.65 3k1q n PRO 508 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 3k1q h VAL 509 N -2.28 0.51 -4.18 -1.45 -1.51 -1.38 -3.43 116.25 102.52 3k1q h VAL 509 Ca -0.57 -0.17 -0.69 0.00 -1.23 0.00 0.00 66.70 64.04 3k1q h VAL 509 Cb 1.36 -0.03 -0.30 0.00 -2.13 0.00 0.00 31.29 30.19 3k1q h VAL 509 CO 0.42 0.09 -0.87 -0.76 -1.23 0.00 0.00 177.57 175.21 3k1q s LEU 510 N -10.08 2.13 0.00 4.19 1.43 -1.26 -5.13 118.68 109.96 3k1q s LEU 510 Ca -0.10 -0.47 0.00 0.00 -1.03 0.00 0.00 54.13 52.53 3k1q s LEU 510 Cb 0.27 -1.38 0.00 0.00 0.03 0.00 0.00 46.19 45.10 3k1q s LEU 510 CO 0.80 0.27 0.00 -0.90 0.23 0.00 0.00 176.35 176.75 3k1q n ASP 511 N 2.76 0.00 -4.77 2.29 5.68 -1.26 -5.07 116.55 116.18 3k1q n ASP 511 Ca -0.17 -0.19 -0.37 0.00 -0.50 0.00 0.00 54.79 53.56 3k1q n ASP 511 Cb 0.52 0.00 -0.01 0.00 -1.14 0.00 0.00 41.12 40.49 3k1q n ASP 511 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 3k1q s THR 512 N 1.54 3.05 -1.37 2.12 -4.23 -1.26 -4.33 115.64 111.17 3k1q s THR 512 Ca 0.00 0.81 -0.05 0.00 -1.18 0.00 0.00 61.69 61.27 3k1q s THR 512 Cb 0.00 -3.42 0.03 0.00 1.34 0.00 0.00 72.50 70.44 3k1q s THR 512 CO 0.00 0.01 0.86 -0.24 -0.54 0.00 0.00 174.62 174.71 3k1q n SER 513 N -0.39 -2.77 -1.83 3.99 2.88 0.66 -4.92 113.62 111.25 3k1q n SER 513 Ca 0.07 -0.76 0.00 0.00 -1.33 0.00 0.00 58.87 56.84 3k1q n SER 513 Cb 0.47 -4.20 0.00 0.00 -0.75 0.00 0.00 64.21 59.73 3k1q n SER 513 CO 0.00 0.00 0.00 2.22 -1.23 0.00 0.00 175.04 176.03 3k1q n PHE 514 N -4.45 0.00 -4.34 0.66 1.16 -1.24 -3.99 117.46 105.27 3k1q n PHE 514 Ca -0.17 0.00 -0.22 0.00 -1.87 0.00 0.00 57.45 55.19 3k1q n PHE 514 Cb 0.62 0.00 -0.16 0.00 -1.61 0.00 0.00 39.48 38.33 3k1q n PHE 514 CO 0.00 0.00 0.00 0.45 -1.87 0.00 0.00 176.76 175.34 3k1q s SER 515 N -1.00 1.29 -0.08 5.98 0.15 -1.26 -0.71 113.70 118.07 3k1q s SER 515 Ca 0.00 -0.20 0.03 0.00 0.70 0.00 0.00 55.95 56.48 3k1q s SER 515 Cb 0.00 -0.61 0.01 0.00 -1.71 0.00 0.00 66.02 63.71 3k1q s SER 515 CO 0.00 -0.02 -0.17 -0.04 1.20 0.00 0.00 173.24 174.22 3k1q s MET 516 N 0.81 2.21 -0.87 5.44 -1.94 0.22 -1.39 119.30 123.78 3k1q s MET 516 Ca -0.13 -0.59 -0.00 0.00 -1.71 0.00 0.00 55.69 53.26 3k1q s MET 516 Cb -0.15 -1.75 0.24 0.00 2.01 0.00 0.00 34.83 35.18 3k1q s MET 516 CO 0.02 0.08 0.87 0.00 -0.01 0.00 0.00 175.02 175.98 3k1q n ALA 517 N 3.71 4.04 -2.18 3.03 0.00 0.88 -2.97 120.51 127.02 3k1q n ALA 517 Ca -0.21 -4.66 -0.41 0.00 0.00 0.00 0.00 53.44 48.16 3k1q n ALA 517 Cb 0.52 -1.62 -0.03 0.00 0.00 0.00 0.00 19.45 18.33 3k1q n ALA 517 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 3k1q s TYR 518 N -1.81 1.95 0.15 0.00 5.04 -1.17 0.21 117.35 121.72 3k1q s TYR 518 Ca 0.30 0.62 0.09 0.00 -2.44 0.00 0.00 57.07 55.65 3k1q s TYR 518 Cb -0.01 -4.22 -0.04 0.00 0.35 0.00 0.00 41.96 38.03 3k1q s TYR 518 CO -0.07 -2.31 -0.17 -0.51 -1.34 0.00 0.00 175.55 171.15 3k1q s LEU 519 N 7.34 2.73 -0.42 6.97 1.43 0.35 -1.91 118.68 135.18 3k1q s LEU 519 Ca 0.64 -0.62 -0.01 0.00 -1.03 0.00 0.00 54.13 53.10 3k1q s LEU 519 Cb -0.14 -1.51 -0.01 0.00 0.03 0.00 0.00 46.19 44.56 3k1q s LEU 519 CO 0.25 0.15 0.36 0.61 0.23 0.00 0.00 176.35 177.94 3k1q n GLY 520 N 0.48 0.14 3.91 -3.19 0.00 -1.01 -1.08 105.19 104.44 3k1q n GLY 520 Ca -0.14 -0.11 -0.29 0.00 0.00 0.00 0.00 46.02 45.48 3k1q n GLY 520 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k1q s ALA 521 N -3.14 3.69 0.01 4.61 0.00 -0.08 -4.69 121.76 122.16 3k1q s ALA 521 Ca 0.08 -0.61 -0.04 0.00 0.00 0.00 0.00 51.96 51.39 3k1q s ALA 521 Cb -0.01 -2.21 -0.01 0.00 0.00 0.00 0.00 23.12 20.89 3k1q s ALA 521 CO 0.27 0.36 0.07 -1.54 0.00 0.00 0.00 175.76 174.93 3k1q s SER 522 N -3.02 0.11 0.00 0.00 1.04 -1.25 -4.20 113.70 106.38 3k1q s SER 522 Ca 0.42 -0.33 0.00 0.00 0.48 0.00 0.00 55.95 56.53 3k1q s SER 522 Cb -0.11 0.16 0.00 0.00 0.10 0.00 0.00 66.02 66.17 3k1q s SER 522 CO 0.28 -0.35 0.22 -1.54 0.98 0.00 0.00 173.24 172.84 3k1q n SER 523 N 1.49 0.12 0.00 7.02 3.41 -0.73 -3.57 113.62 121.36 3k1q n SER 523 Ca -0.23 -0.56 0.00 0.00 -0.26 0.00 0.00 58.87 57.81 3k1q n SER 523 Cb 0.55 -0.06 0.00 0.00 -0.26 0.00 0.00 64.21 64.44 3k1q n SER 523 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3k1q n ALA 524 N -0.14 0.00 0.51 7.33 0.00 -1.26 -3.16 120.51 123.80 3k1q n ALA 524 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3k1q n ALA 524 Cb 0.03 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.48 3k1q n ALA 524 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3k1q n HIS 525 N 0.00 0.00 -2.55 0.00 8.25 -1.26 -2.58 115.22 117.08 3k1q n HIS 525 Ca 0.00 -0.08 -0.43 0.00 -0.26 0.00 0.00 57.72 56.95 3k1q n HIS 525 Cb 0.00 -0.09 0.00 0.00 1.12 0.00 0.00 29.99 31.02 3k1q n HIS 525 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3k1q n ALA 526 N 0.39 4.55 0.00 -1.41 0.00 -1.26 -4.55 120.51 118.23 3k1q n ALA 526 Ca 0.00 -4.18 0.00 0.00 0.00 0.00 0.00 53.44 49.26 3k1q n ALA 526 Cb 0.17 -3.16 0.00 0.00 0.00 0.00 0.00 19.45 16.46 3k1q n ALA 526 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3k1q n ASN 527 N 5.43 0.00 -0.04 0.00 4.13 -1.26 -4.73 115.26 118.79 3k1q n ASN 527 Ca 0.41 0.00 -0.12 0.00 1.68 0.00 0.00 54.58 56.55 3k1q n ASN 527 Cb 0.40 -0.90 -0.14 0.00 -1.54 0.00 0.00 39.78 37.60 3k1q n ASN 527 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3k1q n ALA 528 N 0.99 1.38 -0.85 5.41 0.00 -1.26 -5.01 120.51 121.17 3k1q n ALA 528 Ca 0.00 -0.89 0.00 0.00 0.00 0.00 0.00 53.44 52.55 3k1q n ALA 528 Cb 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 19.45 18.84 3k1q n ALA 528 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3k1q n ASP 529 N -3.07 -1.94 -4.14 0.00 8.00 -1.06 -4.96 116.55 109.38 3k1q n ASP 529 Ca -0.25 0.00 -0.10 0.00 0.71 0.00 0.00 54.79 55.15 3k1q n ASP 529 Cb 1.07 -1.66 -0.10 0.00 -0.02 0.00 0.00 41.12 40.42 3k1q n ASP 529 CO 0.00 0.00 0.00 -1.83 -0.39 0.00 0.00 177.20 174.98 3k1q s GLU 530 N -0.76 0.99 -0.40 -1.24 4.04 -1.18 -4.47 118.70 115.68 3k1q s GLU 530 Ca 0.00 -1.44 -0.27 0.00 0.04 0.00 0.00 54.97 53.30 3k1q s GLU 530 Cb 0.00 0.26 -0.06 0.00 0.02 0.00 0.00 34.13 34.36 3k1q s GLU 530 CO 0.00 -0.30 2.27 -2.14 -1.84 0.00 0.00 175.26 173.26 3k1q s PRO 531 N -4.06 2.54 0.32 -4.83 0.02 -1.23 -4.38 135.00 123.39 3k1q s PRO 531 Ca 0.25 1.56 0.20 0.00 0.02 0.00 0.00 61.00 63.03 3k1q s PRO 531 Cb 0.07 -4.48 1.14 0.00 0.02 0.00 0.00 34.50 31.25 3k1q s PRO 531 CO 0.03 -2.78 1.29 0.28 -0.33 0.00 0.00 177.00 175.50 3k1q n VAL 532 N 7.83 -0.31 -0.29 3.83 0.31 -1.26 -0.80 118.33 127.64 3k1q n VAL 532 Ca 0.32 1.62 0.04 0.00 -0.01 0.00 0.00 64.34 66.31 3k1q n VAL 532 Cb 0.51 -2.63 0.18 0.00 -0.91 0.00 0.00 33.84 30.98 3k1q n VAL 532 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 3k1q h ILE 533 N 0.00 0.87 0.86 2.52 1.08 -1.90 -3.35 117.51 117.59 3k1q h ILE 533 Ca 0.71 -0.26 -0.04 0.00 -0.39 0.00 0.00 64.86 64.87 3k1q h ILE 533 Cb 1.98 0.05 0.01 0.00 -3.07 0.00 0.00 36.82 35.79 3k1q h ILE 533 CO -0.57 0.14 -0.41 -0.07 -0.69 0.00 0.00 178.15 176.55 3k1q h LEU 534 N 0.75 -0.98 -0.78 1.44 3.38 -1.36 -0.12 115.31 117.64 3k1q h LEU 534 Ca 0.41 0.03 0.16 0.00 0.09 0.00 0.00 57.88 58.58 3k1q h LEU 534 Cb 0.42 0.25 -0.15 0.00 0.09 0.00 0.00 40.66 41.28 3k1q h LEU 534 CO -0.27 -0.68 -0.18 0.00 0.09 0.00 0.00 178.44 177.40 3k1q n ALA 535 N -2.61 0.21 0.10 1.53 0.00 -1.26 -0.76 120.51 117.72 3k1q n ALA 535 Ca -0.14 0.86 -0.13 0.00 0.00 0.00 0.00 53.44 54.02 3k1q n ALA 535 Cb 0.46 -0.53 -0.08 0.00 0.00 0.00 0.00 19.45 19.30 3k1q n ALA 535 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3k1q h ASP 536 N 0.00 -0.22 -0.56 0.00 3.32 -1.55 -2.46 116.42 114.95 3k1q h ASP 536 Ca 0.38 -0.21 0.11 0.00 0.02 0.00 0.00 57.03 57.34 3k1q h ASP 536 Cb 0.61 0.06 -0.09 0.00 0.22 0.00 0.00 39.33 40.12 3k1q h ASP 536 CO -0.80 0.10 0.01 0.40 -1.72 0.00 0.00 179.24 177.23 3k1q h ILE 537 N -0.55 0.56 -0.56 0.35 1.08 -0.42 0.11 117.51 118.08 3k1q h ILE 537 Ca -0.03 -0.04 0.03 0.00 -0.39 0.00 0.00 64.86 64.43 3k1q h ILE 537 Cb 0.41 0.42 -0.03 0.00 -3.07 0.00 0.00 36.82 34.55 3k1q h ILE 537 CO 0.04 0.02 0.37 0.03 -0.69 0.00 0.00 178.15 177.93 3k1q h ARG 538 N 0.13 0.66 0.00 2.37 3.08 -0.79 -2.35 114.38 117.48 3k1q h ARG 538 Ca 0.29 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.30 3k1q h ARG 538 Cb 0.45 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.35 3k1q h ARG 538 CO -0.47 0.43 -0.38 0.66 -1.07 0.00 0.00 179.97 179.15 3k1q h SER 539 N 0.68 0.00 0.00 7.04 4.64 -1.07 -3.46 113.55 121.38 3k1q h SER 539 Ca 0.22 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 3k1q h SER 539 Cb 0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 3k1q h SER 539 CO -0.06 0.03 0.00 0.61 -0.87 0.00 0.00 176.83 176.54 3k1q n GLY 540 N 1.23 0.72 2.17 -0.77 0.00 -0.42 -5.05 105.19 103.07 3k1q n GLY 540 Ca 0.03 -0.25 -0.27 0.00 0.00 0.00 0.00 46.02 45.53 3k1q n GLY 540 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3k1q n SER 541 N 0.00 5.62 -4.13 1.61 2.88 0.27 -4.91 113.62 114.96 3k1q n SER 541 Ca 0.00 -3.76 -0.34 0.00 -1.33 0.00 0.00 58.87 53.45 3k1q n SER 541 Cb 0.00 -0.52 -0.15 0.00 -0.75 0.00 0.00 64.21 62.79 3k1q n SER 541 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 3k1q s ILE 542 N -4.77 2.57 0.32 2.46 1.01 -1.26 -4.69 121.20 116.84 3k1q s ILE 542 Ca 0.54 -1.38 -0.28 0.00 0.00 0.00 0.00 60.65 59.53 3k1q s ILE 542 Cb 0.43 -2.43 -0.13 0.00 0.01 0.00 0.00 42.46 40.35 3k1q s ILE 542 CO -0.01 0.03 1.23 -2.65 0.00 0.00 0.00 174.94 173.54 3k1q n PRO 543 N 4.56 1.92 0.00 2.79 -0.02 -1.26 -3.77 135.00 139.22 3k1q n PRO 543 Ca -0.15 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 3k1q n PRO 543 Cb 0.44 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 3k1q n PRO 543 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3k1q n GLY 544 N 0.96 0.91 3.76 -1.23 0.00 -0.85 -4.89 105.19 103.85 3k1q n GLY 544 Ca 0.06 -0.02 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 3k1q n GLY 544 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3k1q s LEU 545 N 0.00 4.55 0.00 0.99 2.96 -1.25 -4.76 118.68 121.17 3k1q s LEU 545 Ca 0.00 1.66 -0.04 0.00 -0.22 0.00 0.00 54.13 55.53 3k1q s LEU 545 Cb 0.00 -3.36 0.14 0.00 0.50 0.00 0.00 46.19 43.47 3k1q s LEU 545 CO 0.00 0.11 0.92 -2.65 -1.32 0.00 0.00 176.35 173.41 3k1q n PRO 546 N 2.08 -0.31 -0.06 0.98 -0.02 -1.26 -4.24 135.00 132.17 3k1q n PRO 546 Ca -0.03 -2.13 -0.02 0.00 -2.02 0.00 0.00 63.50 59.29 3k1q n PRO 546 Cb 0.49 -0.73 -0.00 0.00 -0.02 0.00 0.00 33.50 33.24 3k1q n PRO 546 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 3k1q n ILE 547 N -2.89 0.05 -2.43 4.25 -5.35 -1.26 -4.74 119.36 106.99 3k1q n ILE 547 Ca 0.14 -0.01 -0.28 0.00 -0.27 0.00 0.00 62.75 62.33 3k1q n ILE 547 Cb 0.49 0.00 0.01 0.00 -1.74 0.00 0.00 39.64 38.41 3k1q n ILE 547 CO 0.00 0.00 0.00 -2.16 -1.76 0.00 0.00 176.55 172.63 3k1q s PRO 548 N -0.02 3.37 0.00 6.28 0.05 -1.26 -0.25 135.00 143.17 3k1q s PRO 548 Ca 0.03 0.24 0.00 0.00 0.05 0.00 0.00 61.00 61.33 3k1q s PRO 548 Cb -0.05 -2.29 0.00 0.00 0.05 0.00 0.00 34.50 32.21 3k1q s PRO 548 CO 0.02 -0.42 0.07 -2.13 0.05 0.00 0.00 177.00 174.60 3k1q n ARG 549 N -2.45 0.00 -3.59 4.56 0.63 0.11 -4.65 116.66 111.28 3k1q n ARG 549 Ca 0.03 0.00 -0.40 0.00 -0.92 0.00 0.00 57.85 56.56 3k1q n ARG 549 Cb 0.56 -0.39 -0.11 0.00 0.45 0.00 0.00 32.46 32.96 3k1q n ARG 549 CO 0.00 0.00 0.00 -0.98 -2.51 0.00 0.00 177.63 174.14 3k1q s ARG 550 N -0.14 3.22 -0.05 -0.14 1.70 -0.76 -4.96 118.95 117.82 3k1q s ARG 550 Ca 0.00 -0.82 0.05 0.00 -0.47 0.00 0.00 55.73 54.49 3k1q s ARG 550 Cb 0.00 -3.71 -0.00 0.00 -0.57 0.00 0.00 34.95 30.67 3k1q s ARG 550 CO 0.00 -0.52 -0.19 0.42 -1.08 0.00 0.00 175.30 173.93 3k1q s ILE 551 N 1.63 1.54 0.09 4.99 1.09 -1.26 0.68 121.20 129.98 3k1q s ILE 551 Ca 0.04 -0.78 0.07 0.00 -1.10 0.00 0.00 60.65 58.88 3k1q s ILE 551 Cb -0.18 -1.32 -0.04 0.00 -1.06 0.00 0.00 42.46 39.86 3k1q s ILE 551 CO 0.08 0.44 -0.12 0.68 -0.10 0.00 0.00 174.94 175.92 3k1q s VAL 552 N -0.00 3.26 -0.81 2.92 -7.23 -1.16 -5.00 120.40 112.38 3k1q s VAL 552 Ca -0.04 -1.27 0.01 0.00 -1.81 0.00 0.00 61.98 58.88 3k1q s VAL 552 Cb -0.12 -2.50 0.21 0.00 0.56 0.00 0.00 36.38 34.52 3k1q s VAL 552 CO 0.02 0.14 0.69 1.67 -0.31 0.00 0.00 175.10 177.32 3k1q n GLN 553 N 0.84 2.37 -3.47 4.82 7.27 -1.25 -3.01 117.38 124.95 3k1q n GLN 553 Ca -0.14 -4.50 -0.37 0.00 0.07 0.00 0.00 57.00 52.05 3k1q n GLN 553 Cb 0.52 -2.36 -0.07 0.00 2.41 0.00 0.00 30.24 30.75 3k1q n GLN 553 CO 0.00 0.00 0.00 -0.06 0.07 0.00 0.00 177.06 177.07 3k1q s PHE 554 N -1.55 3.50 0.00 3.69 2.99 -0.80 -2.60 117.98 123.21 3k1q s PHE 554 Ca 0.28 0.71 0.00 0.00 0.00 0.00 0.00 56.93 57.92 3k1q s PHE 554 Cb -0.04 -2.39 0.00 0.00 0.00 0.00 0.00 43.02 40.59 3k1q s PHE 554 CO -0.13 0.26 0.00 0.41 -0.00 0.00 0.00 175.22 175.76 3k1q n GLY 555 N 3.19 -0.93 0.78 4.36 0.00 -1.04 -0.90 105.19 110.65 3k1q n GLY 555 Ca -0.11 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 3k1q n GLY 555 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3k1q n TYR 556 N 0.00 0.00 -3.77 1.61 4.01 -1.26 -2.18 117.16 115.58 3k1q n TYR 556 Ca 0.00 0.00 -0.32 0.00 -0.16 0.00 0.00 57.90 57.42 3k1q n TYR 556 Cb 0.00 0.06 -0.09 0.00 -0.31 0.00 0.00 39.34 39.00 3k1q n TYR 556 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 3k1q s ASP 557 N -4.60 5.41 0.07 7.72 -1.08 -1.26 -4.98 116.67 117.95 3k1q s ASP 557 Ca 0.00 -3.72 0.04 0.00 -0.52 0.00 0.00 52.55 48.35 3k1q s ASP 557 Cb 0.00 -1.78 -0.03 0.00 -1.46 0.00 0.00 42.92 39.65 3k1q s ASP 557 CO 0.00 -0.15 -0.12 0.68 0.52 0.00 0.00 175.17 176.10 3k1q s VAL 558 N -1.31 0.95 0.00 1.11 -7.23 -1.26 -1.78 120.40 110.88 3k1q s VAL 558 Ca 0.25 -1.32 0.00 0.00 -1.81 0.00 0.00 61.98 59.10 3k1q s VAL 558 Cb -0.07 -1.02 0.00 0.00 0.56 0.00 0.00 36.38 35.85 3k1q s VAL 558 CO -0.13 -0.33 0.00 1.33 -0.31 0.00 0.00 175.10 175.66 3k1q n VAL 559 N 1.18 0.00 -3.90 1.32 0.24 -1.26 -4.93 118.33 110.98 3k1q n VAL 559 Ca -0.21 0.00 -0.30 0.00 -2.04 0.00 0.00 64.34 61.80 3k1q n VAL 559 Cb 0.55 -1.14 -0.12 0.00 -1.47 0.00 0.00 33.84 31.65 3k1q n VAL 559 CO 0.00 0.00 0.00 -1.38 -2.14 0.00 0.00 176.83 173.31 3k1q s HIS 560 N -1.97 3.43 0.00 6.34 -3.43 -1.26 -4.95 115.29 113.45 3k1q s HIS 560 Ca 0.00 -3.23 0.00 0.00 -0.80 0.00 0.00 55.06 51.03 3k1q s HIS 560 Cb 0.00 -2.81 0.00 0.00 -1.43 0.00 0.00 32.58 28.34 3k1q s HIS 560 CO 0.00 -0.65 0.00 0.41 -2.00 0.00 0.00 174.74 172.50 3k1q n GLY 561 N 2.51 -0.69 3.27 -1.38 0.00 -1.25 -3.95 105.19 103.71 3k1q n GLY 561 Ca 0.13 -0.25 -0.13 0.00 0.00 0.00 0.00 46.02 45.77 3k1q n GLY 561 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3k1q s SER 562 N -4.00 -0.23 -0.87 1.61 0.15 -1.07 -5.02 113.70 104.26 3k1q s SER 562 Ca 0.00 0.10 -0.25 0.00 0.70 0.00 0.00 55.95 56.50 3k1q s SER 562 Cb 0.00 0.35 -0.04 0.00 -1.71 0.00 0.00 66.02 64.61 3k1q s SER 562 CO 0.00 -0.50 1.93 -0.22 1.20 0.00 0.00 173.24 175.65 3k1q s LEU 563 N -1.47 3.18 0.06 3.45 2.96 -1.25 -2.50 118.68 123.11 3k1q s LEU 563 Ca -0.11 -0.59 0.06 0.00 -0.22 0.00 0.00 54.13 53.27 3k1q s LEU 563 Cb -0.04 -2.56 -0.03 0.00 0.50 0.00 0.00 46.19 44.07 3k1q s LEU 563 CO 0.03 -2.69 -0.16 -0.76 -1.32 0.00 0.00 176.35 171.45 3k1q s LEU 564 N 9.91 2.21 -0.84 -0.68 1.43 -0.92 -4.98 118.68 124.81 3k1q s LEU 564 Ca 0.69 -0.54 -0.21 0.00 -1.03 0.00 0.00 54.13 53.04 3k1q s LEU 564 Cb -0.07 -0.69 0.09 0.00 0.03 0.00 0.00 46.19 45.55 3k1q s LEU 564 CO 0.01 0.03 1.15 -0.62 0.23 0.00 0.00 176.35 177.15 3k1q s ASP 565 N -1.39 6.41 0.24 2.29 3.68 -1.26 -4.43 116.67 122.22 3k1q s ASP 565 Ca 0.02 -1.45 -0.05 0.00 2.13 0.00 0.00 52.55 53.20 3k1q s ASP 565 Cb -0.09 -2.45 0.36 0.00 -1.45 0.00 0.00 42.92 39.30 3k1q s ASP 565 CO 0.02 -1.34 1.83 -0.07 0.13 0.00 0.00 175.17 175.74 3k1q h LEU 566 N 11.38 0.75 -0.64 -1.34 3.38 -1.99 -2.11 115.31 124.76 3k1q h LEU 566 Ca -0.02 0.03 0.13 0.00 0.09 0.00 0.00 57.88 58.11 3k1q h LEU 566 Cb 1.04 -0.12 -0.10 0.00 0.09 0.00 0.00 40.66 41.57 3k1q h LEU 566 CO 1.21 0.46 0.11 0.77 0.09 0.00 0.00 178.44 181.08 3k1q h SER 567 N 0.88 -0.05 -3.13 -0.43 4.64 -1.91 -3.43 113.55 110.11 3k1q h SER 567 Ca 0.38 0.13 -0.45 0.00 -0.47 0.00 0.00 61.79 61.38 3k1q h SER 567 Cb 0.27 0.19 0.05 0.00 -0.31 0.00 0.00 62.40 62.60 3k1q h SER 567 CO -0.21 -0.03 0.07 -0.13 -0.87 0.00 0.00 176.83 175.67 3k1q s ARG 568 N -6.10 2.60 -0.80 4.77 1.81 -0.79 -3.68 118.95 116.76 3k1q s ARG 568 Ca -0.13 -0.43 -0.28 0.00 -1.72 0.00 0.00 55.73 53.17 3k1q s ARG 568 Cb 0.19 -2.37 -0.17 0.00 -0.45 0.00 0.00 34.95 32.15 3k1q s ARG 568 CO 0.74 -0.79 2.55 0.00 -0.68 0.00 0.00 175.30 177.13 3k1q n ALA 569 N -2.51 0.52 -2.40 2.13 0.00 -1.26 -4.92 120.51 112.07 3k1q n ALA 569 Ca 0.06 -0.61 -0.29 0.00 0.00 0.00 0.00 53.44 52.60 3k1q n ALA 569 Cb 0.59 -2.68 -0.13 0.00 0.00 0.00 0.00 19.45 17.23 3k1q n ALA 569 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3k1q s VAL 570 N 9.99 2.37 -0.58 0.00 -7.23 -1.26 -5.04 120.40 118.64 3k1q s VAL 570 Ca 1.20 -1.60 -0.32 0.00 -1.81 0.00 0.00 61.98 59.45 3k1q s VAL 570 Cb -0.78 -2.02 -0.17 0.00 0.56 0.00 0.00 36.38 33.97 3k1q s VAL 570 CO 0.39 0.17 1.94 -2.65 -0.31 0.00 0.00 175.10 174.64 3k1q n PRO 571 N 1.12 0.00 -1.69 4.82 -0.02 -1.26 -4.77 135.00 133.20 3k1q n PRO 571 Ca -0.17 0.00 -0.17 0.00 -2.02 0.00 0.00 63.50 61.14 3k1q n PRO 571 Cb 0.53 -1.23 -0.07 0.00 -0.02 0.00 0.00 33.50 32.71 3k1q n PRO 571 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3k1q s THR 572 N 5.94 3.12 -0.08 3.45 2.01 -1.26 -4.95 115.64 123.87 3k1q s THR 572 Ca 1.04 -0.11 0.05 0.00 0.31 0.00 0.00 61.69 62.97 3k1q s THR 572 Cb -1.14 -3.33 -0.00 0.00 0.01 0.00 0.00 72.50 68.03 3k1q s THR 572 CO 0.48 -0.26 -0.24 -0.83 -0.69 0.00 0.00 174.62 173.09 3k1q s GLY 573 N 10.00 1.28 -0.35 4.40 0.00 -1.26 -5.11 107.32 116.27 3k1q s GLY 573 Ca 0.86 -0.97 -0.23 0.00 0.00 0.00 0.00 44.72 44.38 3k1q s GLY 573 CO 0.07 -0.45 0.76 -0.51 0.00 0.00 0.00 173.10 172.97 3k1q s THR 574 N 0.12 4.77 -0.02 0.90 -4.23 -1.26 -4.78 115.64 111.14 3k1q s THR 574 Ca -0.11 0.91 0.03 0.00 -1.18 0.00 0.00 61.69 61.33 3k1q s THR 574 Cb -0.16 -4.18 -0.00 0.00 1.34 0.00 0.00 72.50 69.50 3k1q s THR 574 CO 0.06 -0.37 -0.10 -0.36 -0.54 0.00 0.00 174.62 173.31 3k1q s PHE 575 N 3.01 0.93 0.26 3.99 0.40 0.05 -4.72 117.98 121.89 3k1q s PHE 575 Ca 0.31 -0.20 -0.02 0.00 -0.60 0.00 0.00 56.93 56.41 3k1q s PHE 575 Cb -0.14 -0.63 0.33 0.00 0.51 0.00 0.00 43.02 43.10 3k1q s PHE 575 CO 0.16 -0.06 1.78 0.78 0.70 0.00 0.00 175.22 178.58 3k1q h GLY 576 N 6.14 0.92 -7.26 4.36 0.00 -1.87 -2.79 103.07 102.56 3k1q h GLY 576 Ca -0.32 -0.57 -0.62 0.00 0.00 0.00 0.00 47.33 45.81 3k1q h GLY 576 CO 0.49 0.53 -0.71 -2.27 0.00 0.00 0.00 176.54 174.59 3k1q s LEU 577 N -9.29 3.48 -0.67 3.11 0.20 -0.48 -1.49 118.68 113.54 3k1q s LEU 577 Ca -0.10 -2.48 -0.22 0.00 0.69 0.00 0.00 54.13 52.02 3k1q s LEU 577 Cb 0.15 -1.29 0.07 0.00 -0.43 0.00 0.00 46.19 44.69 3k1q s LEU 577 CO 0.81 -0.30 0.96 -0.69 -0.29 0.00 0.00 176.35 176.84 3k1q s VAL 578 N 0.49 4.35 -0.83 1.68 1.01 -0.13 -0.09 120.40 126.89 3k1q s VAL 578 Ca 0.15 -0.43 -0.20 0.00 0.00 0.00 0.00 61.98 61.50 3k1q s VAL 578 Cb -0.23 -4.68 0.11 0.00 0.00 0.00 0.00 36.38 31.58 3k1q s VAL 578 CO -0.06 -1.45 1.07 -0.47 0.00 0.00 0.00 175.10 174.19 3k1q s TYR 579 N 3.98 2.94 -0.11 5.22 5.04 0.13 0.65 117.35 135.20 3k1q s TYR 579 Ca 0.22 -1.07 -0.26 0.00 -2.44 0.00 0.00 57.07 53.53 3k1q s TYR 579 Cb -0.17 -4.29 -0.02 0.00 0.35 0.00 0.00 41.96 37.83 3k1q s TYR 579 CO 0.09 -1.55 0.82 0.00 -1.34 0.00 0.00 175.55 173.57 3k1q s ALA 580 N 3.24 3.39 -0.37 3.97 0.00 0.30 -0.50 121.76 131.80 3k1q s ALA 580 Ca 0.29 0.16 0.01 0.00 0.00 0.00 0.00 51.96 52.42 3k1q s ALA 580 Cb -0.09 -3.16 0.11 0.00 0.00 0.00 0.00 23.12 19.98 3k1q s ALA 580 CO -0.02 -0.40 0.15 0.34 0.00 0.00 0.00 175.76 175.83 3k1q s ASP 581 N 1.01 4.05 -1.11 0.00 2.15 -0.24 -1.81 116.67 120.72 3k1q s ASP 581 Ca 0.41 -2.16 -0.23 0.00 0.43 0.00 0.00 52.55 51.00 3k1q s ASP 581 Cb -0.18 -1.11 -0.04 0.00 -0.30 0.00 0.00 42.92 41.29 3k1q s ASP 581 CO 0.17 -0.35 1.87 -0.22 -0.17 0.00 0.00 175.17 176.47 3k1q s LEU 582 N 0.94 3.23 -0.87 -1.34 2.96 -1.17 -4.06 118.68 118.37 3k1q s LEU 582 Ca 0.13 -1.48 -0.25 0.00 -0.22 0.00 0.00 54.13 52.31 3k1q s LEU 582 Cb -0.21 -2.58 -0.08 0.00 0.50 0.00 0.00 46.19 43.83 3k1q s LEU 582 CO -0.12 -2.59 2.11 1.51 -1.32 0.00 0.00 176.35 175.94 3k1q s ASP 583 N 6.49 4.70 -1.08 3.68 3.84 -1.26 -4.76 116.67 128.28 3k1q s ASP 583 Ca 0.65 -0.44 -0.22 0.00 -0.00 0.00 0.00 52.55 52.54 3k1q s ASP 583 Cb -0.02 -2.56 -0.01 0.00 -1.38 0.00 0.00 42.92 38.95 3k1q s ASP 583 CO 0.07 -3.15 1.79 -1.58 -0.00 0.00 0.00 175.17 172.29 3k1q s GLN 584 N 7.66 3.07 -0.82 2.11 2.00 -1.26 -4.95 119.66 127.46 3k1q s GLN 584 Ca 0.78 -1.05 -0.08 0.00 -2.00 0.00 0.00 55.36 53.00 3k1q s GLN 584 Cb -0.09 -5.27 0.21 0.00 0.80 0.00 0.00 33.01 28.66 3k1q s GLN 584 CO 0.02 -3.04 0.73 0.14 -0.50 0.00 0.00 175.29 172.64 3k1q s VAL 585 N 7.97 4.96 -0.14 1.34 -7.23 -1.26 -5.00 120.40 121.05 3k1q s VAL 585 Ca 0.61 -2.95 -0.24 0.00 -1.81 0.00 0.00 61.98 57.59 3k1q s VAL 585 Cb -0.01 -4.09 0.06 0.00 0.56 0.00 0.00 36.38 32.90 3k1q s VAL 585 CO 0.02 -1.02 0.60 -1.83 -0.31 0.00 0.00 175.10 172.56 3k1q s GLU 586 N -0.33 0.83 0.18 4.82 4.04 -1.26 -5.08 118.70 121.90 3k1q s GLU 586 Ca 0.21 0.50 -0.03 0.00 0.04 0.00 0.00 54.97 55.69 3k1q s GLU 586 Cb -0.13 0.39 0.06 0.00 0.02 0.00 0.00 34.13 34.48 3k1q s GLU 586 CO -0.08 -0.18 1.45 -0.44 -1.84 0.00 0.00 175.26 174.17 3k1q h ASP 587 N 4.23 0.57 -0.87 0.83 3.32 -2.07 -3.42 116.42 119.02 3k1q h ASP 587 Ca -0.28 -0.35 -0.73 0.00 0.02 0.00 0.00 57.03 55.69 3k1q h ASP 587 Cb 1.16 -0.17 -0.10 0.00 0.22 0.00 0.00 39.33 40.45 3k1q h ASP 587 CO 0.25 1.08 2.64 0.00 -1.72 0.00 0.00 179.24 181.49 3k1q n ALA 588 N -2.52 6.30 0.24 3.45 0.00 -1.26 -4.80 120.51 121.91 3k1q n ALA 588 Ca -0.04 -4.04 0.12 0.00 0.00 0.00 0.00 53.44 49.48 3k1q n ALA 588 Cb 0.67 -3.05 0.60 0.00 0.00 0.00 0.00 19.45 17.66 3k1q n ALA 588 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3k1q h GLY 589 N 7.19 0.00 0.49 0.00 0.00 -2.03 -2.73 103.07 105.99 3k1q h GLY 589 Ca 0.61 0.00 0.12 0.00 0.00 0.00 0.00 47.33 48.06 3k1q h GLY 589 CO 1.64 0.00 0.64 -0.91 0.00 0.00 0.00 176.54 177.91 3k1q h THR 590 N 0.00 0.16 -3.07 4.70 1.35 -2.00 -3.29 112.91 110.75 3k1q h THR 590 Ca 0.00 0.00 -0.77 0.00 -0.55 0.00 0.00 66.41 65.09 3k1q h THR 590 Cb 0.11 0.45 -0.24 0.00 -1.73 0.00 0.00 68.15 66.74 3k1q h THR 590 CO 0.00 0.00 0.75 -0.62 -0.25 0.00 0.00 175.52 175.40 3k1q s ASP 591 N -4.44 7.19 0.17 5.36 3.68 -1.03 -4.90 116.67 122.70 3k1q s ASP 591 Ca -0.03 -3.30 -0.15 0.00 2.13 0.00 0.00 52.55 51.20 3k1q s ASP 591 Cb 0.12 -2.28 0.10 0.00 -1.45 0.00 0.00 42.92 39.41 3k1q s ASP 591 CO 0.41 -0.48 1.73 0.24 0.13 0.00 0.00 175.17 177.20 3k1q h MET 592 N 6.96 0.24 -0.80 4.34 2.86 -1.88 -2.28 114.93 124.37 3k1q h MET 592 Ca 0.22 -0.01 0.10 0.00 -2.06 0.00 0.00 59.70 57.94 3k1q h MET 592 Cb 0.89 -0.05 -0.12 0.00 0.06 0.00 0.00 31.60 32.37 3k1q h MET 592 CO 1.08 0.16 -0.50 -1.35 1.06 0.00 0.00 176.91 177.35 3k1q h PRO 593 N 0.24 -0.12 -0.61 -0.22 0.11 -1.95 -1.69 132.00 127.76 3k1q h PRO 593 Ca 0.19 0.01 0.01 0.00 0.11 0.00 0.00 66.00 66.31 3k1q h PRO 593 Cb 0.21 0.03 -0.03 0.00 0.11 0.00 0.00 31.00 31.32 3k1q h PRO 593 CO -0.23 -0.08 0.41 0.00 -0.21 0.00 0.00 178.00 177.89 3k1q h ALA 594 N 0.62 1.56 -0.57 -0.75 0.00 -1.85 0.13 119.26 118.41 3k1q h ALA 594 Ca 0.19 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.08 3k1q h ALA 594 Cb 0.52 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 3k1q h ALA 594 CO -0.83 0.41 0.34 0.00 0.00 0.00 0.00 179.25 179.16 3k1q h ALA 595 N 1.61 0.73 0.03 0.00 0.00 -0.93 -0.79 119.26 119.92 3k1q h ALA 595 Ca 0.22 -0.01 -0.26 0.00 0.00 0.00 0.00 54.91 54.87 3k1q h ALA 595 Cb -0.09 -0.15 0.02 0.00 0.00 0.00 0.00 17.79 17.56 3k1q h ALA 595 CO -0.05 0.05 -1.07 -0.97 0.00 0.00 0.00 179.25 177.21 3k1q h ASN 596 N 0.66 0.75 -0.35 0.00 -0.00 -0.83 -3.25 115.58 112.57 3k1q h ASN 596 Ca 0.23 -0.63 -0.04 0.00 -0.00 0.00 0.00 56.30 55.86 3k1q h ASN 596 Cb 0.04 -0.23 -0.02 0.00 -0.00 0.00 0.00 38.32 38.11 3k1q h ASN 596 CO -0.11 1.44 0.10 -0.09 -0.00 0.00 0.00 177.43 178.77 3k1q h ARG 597 N 0.30 0.62 -0.67 6.67 1.12 -0.30 -1.75 114.38 120.37 3k1q h ARG 597 Ca -0.13 -0.11 0.05 0.00 -1.11 0.00 0.00 59.98 58.69 3k1q h ARG 597 Cb 1.72 -0.10 -0.05 0.00 -0.01 0.00 0.00 29.97 31.53 3k1q h ARG 597 CO 0.20 0.57 0.39 0.00 -3.11 0.00 0.00 179.97 178.02 3k1q h ALA 598 N 1.51 0.89 -0.55 2.80 0.00 -1.24 0.13 119.26 122.80 3k1q h ALA 598 Ca 0.14 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 3k1q h ALA 598 Cb 0.23 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3k1q h ALA 598 CO -0.00 0.09 0.06 0.00 0.00 0.00 0.00 179.25 179.40 3k1q h ALA 599 N 1.33 1.06 -0.20 0.00 0.00 -1.47 -1.72 119.26 118.27 3k1q h ALA 599 Ca 0.29 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 3k1q h ALA 599 Cb 0.13 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3k1q h ALA 599 CO -0.16 0.60 0.11 0.82 0.00 0.00 0.00 179.25 180.62 3k1q h ILE 600 N 0.85 1.10 -0.07 0.00 2.04 -1.16 -0.27 117.51 120.00 3k1q h ILE 600 Ca 0.17 -0.28 0.00 0.00 1.00 0.00 0.00 64.86 65.75 3k1q h ILE 600 Cb 0.42 0.93 -0.00 0.00 -0.74 0.00 0.00 36.82 37.43 3k1q h ILE 600 CO 0.01 0.10 0.05 0.00 0.00 0.00 0.00 178.15 178.31 3k1q h ALA 601 N 1.00 0.09 0.00 1.87 0.00 -0.13 -1.78 119.26 120.32 3k1q h ALA 601 Ca 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3k1q h ALA 601 Cb 0.06 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3k1q h ALA 601 CO -0.01 -0.41 0.00 0.00 0.00 0.00 0.00 179.25 178.83 3k1q n MET 602 N -5.03 0.13 -0.05 0.00 0.00 -0.74 -2.17 117.12 109.26 3k1q n MET 602 Ca -0.06 0.34 -0.16 0.00 0.00 0.00 0.00 57.70 57.83 3k1q n MET 602 Cb 0.03 -1.74 -0.07 0.00 0.00 0.00 0.00 33.22 31.45 3k1q n MET 602 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 175.97 175.90 3k1q h LEU 603 N 0.00 0.80 0.16 3.17 3.38 -0.26 -1.18 115.31 121.39 3k1q h LEU 603 Ca 0.00 -0.59 0.01 0.00 0.09 0.00 0.00 57.88 57.40 3k1q h LEU 603 Cb 0.35 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.83 3k1q h LEU 603 CO 0.00 1.25 -0.44 1.23 0.09 0.00 0.00 178.44 180.57 3k1q h GLY 604 N 0.40 -0.92 0.45 0.83 0.00 -1.27 -1.69 103.07 100.86 3k1q h GLY 604 Ca -0.02 0.53 0.19 0.00 0.00 0.00 0.00 47.33 48.03 3k1q h GLY 604 CO 0.12 -0.28 0.56 -0.91 0.00 0.00 0.00 176.54 176.03 3k1q h THR 605 N -0.70 0.72 -0.20 4.70 1.35 -1.28 -0.68 112.91 116.82 3k1q h THR 605 Ca 0.01 -0.13 -0.17 0.00 -0.55 0.00 0.00 66.41 65.56 3k1q h THR 605 Cb 0.71 0.30 -0.00 0.00 -1.73 0.00 0.00 68.15 67.43 3k1q h THR 605 CO -0.23 0.07 -0.59 0.00 -0.25 0.00 0.00 175.52 174.52 3k1q h ALA 606 N 1.62 0.60 -0.73 6.62 0.00 -0.71 -0.56 119.26 126.10 3k1q h ALA 606 Ca 0.43 -0.53 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 3k1q h ALA 606 Cb 1.08 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 3k1q h ALA 606 CO -0.14 0.69 0.37 1.25 0.00 0.00 0.00 179.25 181.42 3k1q h LEU 607 N 0.48 0.94 -1.11 0.00 5.85 -0.89 -1.77 115.31 118.82 3k1q h LEU 607 Ca 0.00 -0.12 0.07 0.00 0.84 0.00 0.00 57.88 58.67 3k1q h LEU 607 Cb 1.16 -0.24 -0.06 0.00 0.37 0.00 0.00 40.66 41.88 3k1q h LEU 607 CO 0.12 0.80 0.61 -0.61 -0.34 0.00 0.00 178.44 179.01 3k1q h GLN 608 N 1.02 1.03 0.00 1.25 4.15 -0.63 -3.07 115.11 118.86 3k1q h GLN 608 Ca 0.25 -0.06 -0.06 0.00 0.77 0.00 0.00 58.65 59.56 3k1q h GLN 608 Cb 0.09 -0.23 -0.01 0.00 0.21 0.00 0.00 27.48 27.54 3k1q h GLN 608 CO -0.04 0.68 -0.27 0.52 -1.93 0.00 0.00 178.83 177.80 3k1q h MET 609 N 1.06 0.00 -6.29 1.69 2.86 -0.63 -3.47 114.93 110.16 3k1q h MET 609 Ca 0.40 0.00 -0.55 0.00 -2.06 0.00 0.00 59.70 57.49 3k1q h MET 609 Cb 0.20 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.84 3k1q h MET 609 CO -0.16 0.27 0.80 0.95 1.06 0.00 0.00 176.91 179.83 3k1q s THR 610 N -4.21 4.09 0.48 2.22 -4.23 -0.71 -0.77 115.64 112.51 3k1q s THR 610 Ca -0.03 1.41 -0.22 0.00 -1.18 0.00 0.00 61.69 61.67 3k1q s THR 610 Cb 0.14 -3.91 -0.07 0.00 1.34 0.00 0.00 72.50 70.00 3k1q s THR 610 CO 0.68 -0.04 1.18 0.42 -0.54 0.00 0.00 174.62 176.32 3k1q s THR 611 N 2.64 3.02 -0.89 3.99 -4.23 -1.05 -4.81 115.64 114.31 3k1q s THR 611 Ca 0.58 0.75 -0.28 0.00 -1.18 0.00 0.00 61.69 61.56 3k1q s THR 611 Cb -0.26 -3.37 -0.20 0.00 1.34 0.00 0.00 72.50 70.01 3k1q s THR 611 CO 0.22 -0.03 2.60 0.00 -0.54 0.00 0.00 174.62 176.87 3k1q n ALA 612 N -0.63 0.45 0.00 3.99 0.00 -1.26 -0.43 120.51 122.62 3k1q n ALA 612 Ca 0.08 -0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.04 3k1q n ALA 612 Cb 0.48 -2.49 0.00 0.00 0.00 0.00 0.00 19.45 17.44 3k1q n ALA 612 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k1q n GLY 613 N 6.34 1.89 3.55 0.00 0.00 -0.21 -5.05 105.19 111.70 3k1q n GLY 613 Ca 0.60 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 46.24 3k1q n GLY 613 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k1q n GLY 614 N 0.00 -0.84 3.86 -0.02 0.00 0.42 -1.79 105.19 106.81 3k1q n GLY 614 Ca 0.00 -0.14 -0.25 0.00 0.00 0.00 0.00 46.02 45.63 3k1q n GLY 614 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3k1q s VAL 615 N -1.60 4.75 -0.08 1.61 -7.23 -0.56 -0.68 120.40 116.61 3k1q s VAL 615 Ca 0.72 -1.06 -0.06 0.00 -1.81 0.00 0.00 61.98 59.77 3k1q s VAL 615 Cb -0.43 -3.48 0.02 0.00 0.56 0.00 0.00 36.38 33.05 3k1q s VAL 615 CO 0.50 -0.19 0.20 -0.55 -0.31 0.00 0.00 175.10 174.75 3k1q s SER 616 N -3.41 -0.21 -0.12 4.85 0.15 0.09 -0.95 113.70 114.10 3k1q s SER 616 Ca 0.32 0.41 -0.01 0.00 0.70 0.00 0.00 55.95 57.37 3k1q s SER 616 Cb -0.10 0.38 -0.02 0.00 -1.71 0.00 0.00 66.02 64.58 3k1q s SER 616 CO 0.25 -0.09 -0.10 -0.69 1.20 0.00 0.00 173.24 173.82 3k1q s VAL 617 N 0.36 3.40 -0.31 4.45 1.01 0.21 0.28 120.40 129.79 3k1q s VAL 617 Ca -0.02 -0.55 0.01 0.00 0.00 0.00 0.00 61.98 61.42 3k1q s VAL 617 Cb -0.03 -2.43 0.09 0.00 0.00 0.00 0.00 36.38 34.01 3k1q s VAL 617 CO -0.02 0.53 0.06 -0.76 0.00 0.00 0.00 175.10 174.92 3k1q s LEU 618 N 0.07 3.00 -0.60 3.92 2.01 0.53 -0.54 118.68 127.08 3k1q s LEU 618 Ca -0.03 -1.71 -0.28 0.00 0.01 0.00 0.00 54.13 52.11 3k1q s LEU 618 Cb -0.14 -1.12 0.02 0.00 0.01 0.00 0.00 46.19 44.96 3k1q s LEU 618 CO 0.04 -0.38 1.27 -0.75 1.01 0.00 0.00 176.35 177.54 3k1q s LYS 619 N 1.39 3.40 -0.12 1.70 2.20 -0.75 0.66 119.74 128.21 3k1q s LYS 619 Ca 0.08 0.23 0.03 0.00 -0.36 0.00 0.00 55.97 55.95 3k1q s LYS 619 Cb -0.18 -4.07 0.01 0.00 -1.51 0.00 0.00 37.83 32.07 3k1q s LYS 619 CO -0.17 -1.84 -0.22 0.08 -0.36 0.00 0.00 175.35 172.84 3k1q s VAL 620 N 5.42 1.98 0.02 4.02 1.01 0.11 -3.02 120.40 129.95 3k1q s VAL 620 Ca 0.44 -0.95 -0.21 0.00 0.00 0.00 0.00 61.98 61.27 3k1q s VAL 620 Cb -0.08 -1.74 -0.11 0.00 0.00 0.00 0.00 36.38 34.44 3k1q s VAL 620 CO 0.24 0.54 1.15 -0.55 0.00 0.00 0.00 175.10 176.48 3k1q h ASN 621 N 7.11 -0.63 -3.16 3.32 7.08 -1.81 -0.92 115.58 126.57 3k1q h ASN 621 Ca -0.28 0.02 -0.73 0.00 -3.08 0.00 0.00 56.30 52.23 3k1q h ASN 621 Cb 1.21 0.16 -0.22 0.00 -2.08 0.00 0.00 38.32 37.39 3k1q h ASN 621 CO 0.52 -0.40 -0.16 -0.36 -2.08 0.00 0.00 177.43 174.94 3k1q s PHE 622 N -4.37 3.17 0.56 4.14 0.08 -1.26 -3.80 117.98 116.49 3k1q s PHE 622 Ca -0.11 -0.98 -0.12 0.00 0.12 0.00 0.00 56.93 55.84 3k1q s PHE 622 Cb 0.01 -3.57 -0.05 0.00 -0.57 0.00 0.00 43.02 38.84 3k1q s PHE 622 CO 0.33 -0.99 0.96 -1.25 -0.10 0.00 0.00 175.22 174.17 3k1q s PRO 623 N 1.96 3.69 0.10 0.24 0.04 -1.26 -4.91 135.00 134.86 3k1q s PRO 623 Ca 0.07 0.70 -0.25 0.00 0.04 0.00 0.00 61.00 61.55 3k1q s PRO 623 Cb -0.25 -2.16 0.08 0.00 0.04 0.00 0.00 34.50 32.21 3k1q s PRO 623 CO 0.06 -0.40 0.76 -0.08 0.04 0.00 0.00 177.00 177.38 3k1q s THR 624 N -2.91 0.00 0.21 1.26 -1.32 -1.26 -4.86 115.64 106.76 3k1q s THR 624 Ca 0.55 -0.12 -0.11 0.00 -1.21 0.00 0.00 61.69 60.80 3k1q s THR 624 Cb -0.11 -1.14 0.20 0.00 -1.51 0.00 0.00 72.50 69.94 3k1q s THR 624 CO 0.45 0.00 1.66 -0.09 -2.21 0.00 0.00 174.62 174.43 3k1q h ARG 625 N 2.00 0.11 -0.44 7.08 2.43 -1.91 -2.09 114.38 121.56 3k1q h ARG 625 Ca -0.27 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 58.85 3k1q h ARG 625 Cb 1.27 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.77 3k1q h ARG 625 CO 0.33 0.08 0.09 0.00 -1.51 0.00 0.00 179.97 178.95 3k1q h ALA 626 N 1.56 1.32 -0.02 2.80 0.00 -1.98 0.15 119.26 123.09 3k1q h ALA 626 Ca 0.32 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 55.06 3k1q h ALA 626 Cb 0.52 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3k1q h ALA 626 CO -0.53 0.48 -0.05 0.35 0.00 0.00 0.00 179.25 179.50 3k1q h PHE 627 N 0.65 -0.12 -0.69 0.00 3.57 -1.82 -1.57 116.94 116.96 3k1q h PHE 627 Ca 0.15 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.67 3k1q h PHE 627 Cb 0.28 0.06 -0.04 0.00 2.79 0.00 0.00 35.95 39.04 3k1q h PHE 627 CO 0.01 -0.08 0.44 -1.49 -2.23 0.00 0.00 178.31 174.96 3k1q h TRP 628 N -0.08 0.82 -0.25 0.41 -0.00 -0.60 0.16 115.95 116.41 3k1q h TRP 628 Ca 0.03 0.02 0.02 0.00 -0.00 0.00 0.00 58.89 58.96 3k1q h TRP 628 Cb 0.12 -0.27 -0.04 0.00 -0.00 0.00 0.00 29.16 28.97 3k1q h TRP 628 CO -0.13 0.48 -0.20 1.15 -0.00 0.00 0.00 178.44 179.74 3k1q h THR 629 N 0.86 0.00 -0.10 1.49 2.02 -0.74 -1.19 112.91 115.26 3k1q h THR 629 Ca 0.27 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.47 3k1q h THR 629 Cb -0.02 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 66.39 3k1q h THR 629 CO -0.09 0.00 0.07 1.56 0.37 0.00 0.00 175.52 177.42 3k1q h GLN 630 N -0.07 0.05 0.60 6.66 1.08 -0.35 -1.24 115.11 121.84 3k1q h GLN 630 Ca 0.04 -0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.22 3k1q h GLN 630 Cb 0.18 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.59 3k1q h GLN 630 CO -0.27 0.03 -0.39 0.28 -0.95 0.00 0.00 178.83 177.53 3k1q h VAL 631 N 0.05 0.21 0.00 -0.54 2.07 -0.57 0.75 116.25 118.23 3k1q h VAL 631 Ca 0.04 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.56 3k1q h VAL 631 Cb 0.10 0.21 -0.00 0.00 -1.52 0.00 0.00 31.29 30.08 3k1q h VAL 631 CO -0.00 0.00 -0.01 0.15 0.02 0.00 0.00 177.57 177.72 3k1q h PHE 632 N -0.94 -0.04 -0.76 1.57 3.57 -0.43 -0.62 116.94 119.30 3k1q h PHE 632 Ca -0.07 0.00 0.16 0.00 3.53 0.00 0.00 57.97 61.59 3k1q h PHE 632 Cb 0.77 0.02 -0.05 0.00 2.79 0.00 0.00 35.95 39.48 3k1q h PHE 632 CO -0.12 -0.01 0.51 -2.95 -2.23 0.00 0.00 178.31 173.51 3k1q h ASN 633 N -0.02 0.35 0.00 0.41 -1.07 -1.24 -2.31 115.58 111.69 3k1q h ASN 633 Ca 0.00 0.02 0.00 0.00 0.07 0.00 0.00 56.30 56.39 3k1q h ASN 633 Cb 0.02 -0.05 0.00 0.00 -2.07 0.00 0.00 38.32 36.22 3k1q h ASN 633 CO -0.01 0.17 -1.64 0.18 0.07 0.00 0.00 177.43 176.21 3k1q n LEU 634 N -4.47 0.17 0.00 6.14 4.77 0.25 -4.81 117.00 119.06 3k1q n LEU 634 Ca 0.15 -0.10 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 3k1q n LEU 634 Cb 0.57 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.66 3k1q n LEU 634 CO 0.33 0.04 -0.30 -1.22 -1.33 0.00 0.00 177.39 174.91 3k1q n TYR 635 N -1.99 0.00 -0.34 -1.77 4.02 -0.26 -4.89 117.16 111.93 3k1q n TYR 635 Ca -0.02 0.00 0.06 0.00 -0.01 0.00 0.00 57.90 57.93 3k1q n TYR 635 Cb 0.44 0.00 0.22 0.00 -0.02 0.00 0.00 39.34 39.98 3k1q n TYR 635 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3k1q h ALA 636 N 0.00 1.43 -0.25 -0.72 0.00 -1.20 0.58 119.26 119.10 3k1q h ALA 636 Ca 0.00 0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.00 3k1q h ALA 636 Cb 0.60 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.16 3k1q h ALA 636 CO 0.00 0.18 0.00 0.25 0.00 0.00 0.00 179.25 179.68 3k1q n THR 637 N -4.66 -0.10 -1.56 0.00 -2.24 -1.23 -1.21 114.28 103.28 3k1q n THR 637 Ca 0.18 0.54 -0.05 0.00 -2.27 0.00 0.00 64.05 62.45 3k1q n THR 637 Cb 0.34 -0.79 0.18 0.00 -2.10 0.00 0.00 70.33 67.96 3k1q n THR 637 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3k1q n HIS 638 N -4.13 1.07 -3.80 4.78 -0.00 0.19 -0.61 115.22 112.73 3k1q n HIS 638 Ca 0.06 -1.71 -0.13 0.00 -0.00 0.00 0.00 57.72 55.94 3k1q n HIS 638 Cb 0.19 -0.45 -0.13 0.00 -0.00 0.00 0.00 29.99 29.60 3k1q n HIS 638 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3k1q s ALA 639 N -3.32 -0.41 -0.07 -1.41 0.00 -0.35 -0.97 121.76 115.24 3k1q s ALA 639 Ca 0.44 0.55 0.00 0.00 0.00 0.00 0.00 51.96 52.96 3k1q s ALA 639 Cb 0.40 -0.33 -0.25 0.00 0.00 0.00 0.00 23.12 22.94 3k1q s ALA 639 CO -0.02 -0.10 0.57 1.79 0.00 0.00 0.00 175.76 178.00 3k1q h THR 640 N 5.13 0.80 -3.79 0.00 1.35 -1.17 -3.36 112.91 111.88 3k1q h THR 640 Ca -0.29 -2.55 -0.23 0.00 -0.55 0.00 0.00 66.41 62.79 3k1q h THR 640 Cb 1.19 2.53 -0.27 0.00 -1.73 0.00 0.00 68.15 69.87 3k1q h THR 640 CO 0.40 0.75 -0.72 0.28 -0.25 0.00 0.00 175.52 175.98 3k1q s THR 641 N -2.58 0.06 -0.21 6.82 -1.32 -0.54 -4.83 115.64 113.04 3k1q s THR 641 Ca -0.14 -0.19 0.00 0.00 -1.21 0.00 0.00 61.69 60.15 3k1q s THR 641 Cb 0.07 -0.09 0.02 0.00 -1.51 0.00 0.00 72.50 70.99 3k1q s THR 641 CO 0.81 -0.09 -0.14 -1.48 -2.21 0.00 0.00 174.62 171.51 3k1q s LEU 642 N -0.29 2.58 0.25 9.08 0.05 -1.26 -0.75 118.68 128.33 3k1q s LEU 642 Ca -0.03 -0.73 0.10 0.00 0.05 0.00 0.00 54.13 53.52 3k1q s LEU 642 Cb -0.02 -1.56 -0.05 0.00 -2.05 0.00 0.00 46.19 42.51 3k1q s LEU 642 CO -0.00 -0.05 -0.17 -1.00 -0.55 0.00 0.00 176.35 174.58 3k1q s HIS 643 N 1.30 2.03 -0.08 3.48 3.76 -0.73 -0.12 115.29 124.92 3k1q s HIS 643 Ca 0.03 -0.46 -0.30 0.00 -0.15 0.00 0.00 55.06 54.18 3k1q s HIS 643 Cb -0.15 -0.92 0.07 0.00 1.11 0.00 0.00 32.58 32.69 3k1q s HIS 643 CO -0.09 0.54 0.69 -1.17 -0.85 0.00 0.00 174.74 173.86 3k1q s LEU 644 N -3.43 -0.67 0.04 0.89 0.20 -0.18 0.79 118.68 116.32 3k1q s LEU 644 Ca 0.27 0.83 -0.02 0.00 0.69 0.00 0.00 54.13 55.89 3k1q s LEU 644 Cb -0.03 2.53 -0.02 0.00 -0.43 0.00 0.00 46.19 48.24 3k1q s LEU 644 CO 0.11 -0.56 0.01 0.68 -0.29 0.00 0.00 176.35 176.31 3k1q s VAL 645 N -0.96 0.15 -0.23 1.68 -7.23 -0.64 -1.65 120.40 111.53 3k1q s VAL 645 Ca -0.09 -1.27 0.01 0.00 -1.81 0.00 0.00 61.98 58.81 3k1q s VAL 645 Cb -0.01 -0.89 0.06 0.00 0.56 0.00 0.00 36.38 36.10 3k1q s VAL 645 CO 0.09 -0.70 -0.06 -0.75 -0.31 0.00 0.00 175.10 173.36 3k1q s LYS 646 N -2.67 1.68 -0.34 4.82 2.47 -0.78 -0.98 119.74 123.95 3k1q s LYS 646 Ca -0.05 -0.99 -0.27 0.00 -1.56 0.00 0.00 55.97 53.10 3k1q s LYS 646 Cb -0.01 -2.58 -0.05 0.00 -1.46 0.00 0.00 37.83 33.72 3k1q s LYS 646 CO -0.05 -0.58 2.23 -2.14 0.16 0.00 0.00 175.35 174.97 3k1q s PRO 647 N 1.38 2.77 -1.01 4.03 0.02 -1.26 -1.60 135.00 139.34 3k1q s PRO 647 Ca -0.06 1.70 -0.13 0.00 0.02 0.00 0.00 61.00 62.53 3k1q s PRO 647 Cb -0.19 -4.43 0.21 0.00 0.02 0.00 0.00 34.50 30.11 3k1q s PRO 647 CO -0.06 -2.52 1.06 0.99 -0.33 0.00 0.00 177.00 176.14 3k1q s THR 648 N 9.58 5.47 -0.20 0.99 2.01 0.11 -4.70 115.64 128.90 3k1q s THR 648 Ca 0.96 -2.65 -0.16 0.00 0.31 0.00 0.00 61.69 60.15 3k1q s THR 648 Cb -0.26 -4.65 -0.08 0.00 0.01 0.00 0.00 72.50 67.53 3k1q s THR 648 CO 0.31 -1.27 -0.32 -0.38 -0.69 0.00 0.00 174.62 172.26 3k1q n ILE 649 N 3.96 1.50 -4.34 1.82 5.41 -1.26 -2.47 119.36 123.98 3k1q n ILE 649 Ca 0.23 0.00 -0.17 0.00 1.00 0.00 0.00 62.75 63.81 3k1q n ILE 649 Cb 0.44 -2.22 -0.10 0.00 -0.71 0.00 0.00 39.64 37.05 3k1q n ILE 649 CO 0.00 0.00 0.00 0.68 0.00 0.00 0.00 176.55 177.23 3k1q s VAL 650 N -2.74 1.04 -0.63 1.39 -7.23 -1.26 -4.44 120.40 106.53 3k1q s VAL 650 Ca -0.31 -2.03 -0.25 0.00 -1.81 0.00 0.00 61.98 57.58 3k1q s VAL 650 Cb 0.07 -2.38 0.04 0.00 0.56 0.00 0.00 36.38 34.67 3k1q s VAL 650 CO 0.44 -0.30 1.08 0.21 -0.31 0.00 0.00 175.10 176.22 3k1q s ASN 651 N -3.32 6.28 -0.11 4.85 2.47 -1.26 -4.95 114.94 118.89 3k1q s ASN 651 Ca 0.29 -0.43 -0.31 0.00 0.42 0.00 0.00 52.86 52.83 3k1q s ASN 651 Cb 0.06 -2.49 0.12 0.00 -1.45 0.00 0.00 41.25 37.49 3k1q s ASN 651 CO 0.09 -1.49 1.01 -0.55 -3.72 0.00 0.00 177.10 172.45 3k1q s SER 652 N 3.29 -0.31 -0.15 -4.21 0.15 -1.26 -4.82 113.70 106.39 3k1q s SER 652 Ca 0.32 0.15 -0.01 0.00 0.70 0.00 0.00 55.95 57.11 3k1q s SER 652 Cb -0.11 0.29 0.06 0.00 -1.71 0.00 0.00 66.02 64.54 3k1q s SER 652 CO 0.17 -0.42 2.23 -1.54 1.20 0.00 0.00 173.24 174.89 3k1q n SER 653 N 0.18 5.84 -4.13 5.45 3.41 -1.26 -4.93 113.62 118.18 3k1q n SER 653 Ca -0.07 -2.72 -0.37 0.00 -0.26 0.00 0.00 58.87 55.45 3k1q n SER 653 Cb 0.59 -1.14 -0.10 0.00 -0.26 0.00 0.00 64.21 63.30 3k1q n SER 653 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3k1q s GLU 654 N -0.69 2.29 0.02 4.33 2.02 -1.25 -4.38 118.70 121.04 3k1q s GLU 654 Ca 0.23 -2.08 -0.12 0.00 0.02 0.00 0.00 54.97 53.01 3k1q s GLU 654 Cb 0.15 -3.69 -0.06 0.00 0.10 0.00 0.00 34.13 30.63 3k1q s GLU 654 CO -0.02 -1.13 0.39 0.14 0.02 0.00 0.00 175.26 174.66 3k1q s VAL 655 N 0.72 5.08 -0.52 2.63 -7.23 -0.35 -4.74 120.40 116.00 3k1q s VAL 655 Ca 0.11 0.66 -0.14 0.00 -1.81 0.00 0.00 61.98 60.80 3k1q s VAL 655 Cb -0.22 -3.67 0.12 0.00 0.56 0.00 0.00 36.38 33.17 3k1q s VAL 655 CO -0.04 0.48 0.45 -0.36 -0.31 0.00 0.00 175.10 175.33 3k1q s PHE 656 N -1.19 3.29 -0.76 2.82 0.40 -0.15 0.07 117.98 122.45 3k1q s PHE 656 Ca 0.26 -1.37 -0.26 0.00 -0.60 0.00 0.00 56.93 54.97 3k1q s PHE 656 Cb -0.15 -3.66 0.04 0.00 0.51 0.00 0.00 43.02 39.76 3k1q s PHE 656 CO 0.14 -0.99 1.24 -0.51 0.70 0.00 0.00 175.22 175.81 3k1q s LEU 657 N 1.55 3.42 -0.75 -0.37 1.02 0.21 -1.62 118.68 122.14 3k1q s LEU 657 Ca 0.04 -0.66 -0.12 0.00 0.02 0.00 0.00 54.13 53.41 3k1q s LEU 657 Cb -0.29 -2.54 0.20 0.00 0.02 0.00 0.00 46.19 43.59 3k1q s LEU 657 CO 0.03 -1.73 0.67 -0.69 0.02 0.00 0.00 176.35 174.64 3k1q s VAL 658 N 5.35 5.20 -0.08 -1.59 1.01 0.24 -0.34 120.40 130.19 3k1q s VAL 658 Ca 0.34 -2.45 -0.04 0.00 0.00 0.00 0.00 61.98 59.83 3k1q s VAL 658 Cb -0.09 -4.25 -0.04 0.00 0.00 0.00 0.00 36.38 32.01 3k1q s VAL 658 CO 0.11 -0.98 0.12 -0.36 0.00 0.00 0.00 175.10 173.99 3k1q s PHE 659 N 0.29 3.47 0.07 5.22 2.99 0.14 -1.78 117.98 128.38 3k1q s PHE 659 Ca 0.16 0.40 0.08 0.00 0.00 0.00 0.00 56.93 57.57 3k1q s PHE 659 Cb -0.14 -1.86 -0.03 0.00 0.00 0.00 0.00 43.02 40.98 3k1q s PHE 659 CO -0.07 0.65 -0.20 0.20 -0.00 0.00 0.00 175.22 175.80 3k1q s GLY 660 N -1.28 1.57 -0.57 4.36 0.00 0.07 -0.74 107.32 110.73 3k1q s GLY 660 Ca 0.18 -1.27 -0.02 0.00 0.00 0.00 0.00 44.72 43.62 3k1q s GLY 660 CO 0.08 -1.18 0.49 0.61 0.00 0.00 0.00 173.10 173.10 3k1q n GLY 661 N 1.38 -0.07 3.77 0.20 0.00 -1.13 -1.47 105.19 107.87 3k1q n GLY 661 Ca -0.16 0.01 -0.38 0.00 0.00 0.00 0.00 46.02 45.49 3k1q n GLY 661 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3k1q s ARG 662 N -4.15 4.47 -1.33 1.61 0.52 0.14 -1.89 118.95 118.33 3k1q s ARG 662 Ca 0.13 1.54 -0.09 0.00 -0.52 0.00 0.00 55.73 56.80 3k1q s ARG 662 Cb -0.02 -2.86 0.01 0.00 0.52 0.00 0.00 34.95 32.60 3k1q s ARG 662 CO 0.38 0.13 1.13 1.04 0.02 0.00 0.00 175.30 178.00 3k1q n GLN 663 N 0.60 -7.64 -4.02 3.54 6.02 -0.14 -1.05 117.38 114.69 3k1q n GLN 663 Ca 0.02 0.81 -0.09 0.00 -0.01 0.00 0.00 57.00 57.72 3k1q n GLN 663 Cb 0.48 -5.78 -0.11 0.00 1.02 0.00 0.00 30.24 25.85 3k1q n GLN 663 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 3k1q s SER 664 N -3.29 0.43 0.29 1.08 1.04 -1.00 -4.54 113.70 107.73 3k1q s SER 664 Ca 0.56 -0.62 -0.30 0.00 0.48 0.00 0.00 55.95 56.07 3k1q s SER 664 Cb -0.25 0.11 -0.11 0.00 0.10 0.00 0.00 66.02 65.87 3k1q s SER 664 CO 0.69 -0.34 1.59 0.20 0.98 0.00 0.00 173.24 176.36 3k1q s ASN 665 N -1.80 6.38 0.02 7.02 -0.87 -1.26 -2.06 114.94 122.38 3k1q s ASN 665 Ca -0.10 2.94 -0.23 0.00 -1.57 0.00 0.00 52.86 53.90 3k1q s ASN 665 Cb -0.06 -2.63 0.05 0.00 -0.02 0.00 0.00 41.25 38.59 3k1q s ASN 665 CO -0.02 -0.91 0.53 -0.83 -2.57 0.00 0.00 177.10 173.30 3k1q s GLY 666 N 0.49 -0.43 -0.42 0.66 0.00 0.22 -4.75 107.32 103.10 3k1q s GLY 666 Ca 0.63 0.70 0.09 0.00 0.00 0.00 0.00 44.72 46.15 3k1q s GLY 666 CO 0.48 0.40 1.00 0.00 0.00 0.00 0.00 173.10 174.98 3k1q n ALA 667 N 0.59 4.25 -1.72 3.20 0.00 -1.26 -3.49 120.51 122.07 3k1q n ALA 667 Ca -0.19 -3.96 -0.38 0.00 0.00 0.00 0.00 53.44 48.91 3k1q n ALA 667 Cb 0.59 -0.72 0.05 0.00 0.00 0.00 0.00 19.45 19.37 3k1q n ALA 667 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3k1q n LEU 668 N -0.25 5.29 -3.64 0.00 4.77 -1.26 -5.08 117.00 116.83 3k1q n LEU 668 Ca 0.28 0.95 -0.10 0.00 -0.03 0.00 0.00 56.01 57.11 3k1q n LEU 668 Cb 0.66 -1.55 -0.04 0.00 -2.33 0.00 0.00 43.42 40.16 3k1q n LEU 668 CO 0.30 -0.78 0.19 -0.60 -1.33 0.00 0.00 177.39 175.18 3k1q s ARG 669 N -2.88 1.14 0.26 3.23 3.52 -1.26 -4.86 118.95 118.10 3k1q s ARG 669 Ca 0.73 -0.73 -0.31 0.00 -0.13 0.00 0.00 55.73 55.29 3k1q s ARG 669 Cb -0.42 0.49 -0.12 0.00 -1.56 0.00 0.00 34.95 33.34 3k1q s ARG 669 CO 0.48 -0.46 1.64 0.45 -0.81 0.00 0.00 175.30 176.61 3k1q s SER 670 N -2.82 6.38 0.10 -2.12 0.15 -0.93 -4.84 113.70 109.62 3k1q s SER 670 Ca 0.04 2.92 0.05 0.00 0.70 0.00 0.00 55.95 59.66 3k1q s SER 670 Cb 0.01 -2.62 -0.04 0.00 -1.71 0.00 0.00 66.02 61.66 3k1q s SER 670 CO -0.10 -0.94 0.02 0.42 1.20 0.00 0.00 173.24 173.84 3k1q s THR 671 N 0.46 4.08 0.40 6.45 -4.23 -1.26 -4.44 115.64 117.11 3k1q s THR 671 Ca 0.68 -1.00 0.16 0.00 -1.18 0.00 0.00 61.69 60.35 3k1q s THR 671 Cb -0.48 -2.97 0.37 0.00 1.34 0.00 0.00 72.50 70.76 3k1q s THR 671 CO 0.42 0.09 1.84 0.71 -0.54 0.00 0.00 174.62 177.13 3k1q h THR 672 N 2.76 0.67 0.70 3.99 1.35 -1.89 0.01 112.91 120.49 3k1q h THR 672 Ca -0.47 -0.16 -0.03 0.00 -0.55 0.00 0.00 66.41 65.20 3k1q h THR 672 Cb 1.17 0.17 0.00 0.00 -1.73 0.00 0.00 68.15 67.76 3k1q h THR 672 CO 0.61 0.08 -0.36 0.00 -0.25 0.00 0.00 175.52 175.59 3k1q h ALA 673 N 1.61 -0.98 -0.47 6.62 0.00 -1.91 0.55 119.26 124.67 3k1q h ALA 673 Ca 0.50 -0.21 0.09 0.00 0.00 0.00 0.00 54.91 55.29 3k1q h ALA 673 Cb 1.17 0.41 -0.08 0.00 0.00 0.00 0.00 17.79 19.30 3k1q h ALA 673 CO -0.21 -1.06 -0.01 1.25 0.00 0.00 0.00 179.25 179.22 3k1q h LEU 674 N -0.98 -0.22 0.21 0.00 5.85 -1.70 0.55 115.31 119.03 3k1q h LEU 674 Ca -0.09 0.11 0.01 0.00 0.84 0.00 0.00 57.88 58.75 3k1q h LEU 674 Cb 0.76 0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.97 3k1q h LEU 674 CO 0.14 -0.07 -0.32 -0.61 -0.34 0.00 0.00 178.44 177.23 3k1q h GLN 675 N 0.11 -0.58 -0.75 1.25 5.75 -0.48 0.49 115.11 120.90 3k1q h GLN 675 Ca 0.24 0.04 0.17 0.00 -0.15 0.00 0.00 58.65 58.94 3k1q h GLN 675 Cb 0.35 0.13 -0.12 0.00 1.07 0.00 0.00 27.48 28.92 3k1q h GLN 675 CO -0.40 -0.39 0.13 -0.09 -2.65 0.00 0.00 178.83 175.43 3k1q h ARG 676 N -0.60 0.20 -0.58 1.69 1.12 -0.73 -1.50 114.38 113.97 3k1q h ARG 676 Ca 0.01 -0.01 -0.09 0.00 -1.11 0.00 0.00 59.98 58.78 3k1q h ARG 676 Cb 0.59 -0.05 -0.02 0.00 -0.01 0.00 0.00 29.97 30.48 3k1q h ARG 676 CO -0.13 0.13 0.02 0.00 -3.11 0.00 0.00 179.97 176.88 3k1q h ALA 677 N 1.65 0.93 -0.87 2.80 0.00 -0.63 -0.98 119.26 122.16 3k1q h ALA 677 Ca 0.42 -0.29 0.18 0.00 0.00 0.00 0.00 54.91 55.22 3k1q h ALA 677 Cb 0.74 -0.22 -0.11 0.00 0.00 0.00 0.00 17.79 18.20 3k1q h ALA 677 CO -0.57 0.64 0.41 -0.07 0.00 0.00 0.00 179.25 179.67 3k1q h LEU 678 N 0.92 0.43 -0.18 0.00 3.38 -0.37 -0.63 115.31 118.87 3k1q h LEU 678 Ca 0.17 0.12 -0.16 0.00 0.09 0.00 0.00 57.88 58.10 3k1q h LEU 678 Cb 0.51 0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.33 3k1q h LEU 678 CO 0.02 0.11 -0.53 -0.07 0.09 0.00 0.00 178.44 178.06 3k1q h LEU 679 N 0.51 0.77 -0.76 1.67 3.38 -0.76 -1.11 115.31 119.01 3k1q h LEU 679 Ca 0.51 -0.59 0.01 0.00 0.09 0.00 0.00 57.88 57.90 3k1q h LEU 679 Cb 0.86 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.35 3k1q h LEU 679 CO -0.45 1.23 0.50 0.28 0.09 0.00 0.00 178.44 180.09 3k1q h SER 680 N 0.36 0.87 0.96 -0.43 0.02 -0.74 0.47 113.55 115.06 3k1q h SER 680 Ca -0.02 -0.02 -0.05 0.00 -0.84 0.00 0.00 61.79 60.86 3k1q h SER 680 Cb 1.15 -0.22 0.01 0.00 0.14 0.00 0.00 62.40 63.48 3k1q h SER 680 CO 0.11 0.63 -0.47 0.25 -1.14 0.00 0.00 176.83 176.22 3k1q h LEU 681 N 1.03 -1.11 -1.01 5.07 5.85 -0.83 0.11 115.31 124.42 3k1q h LEU 681 Ca 0.28 0.04 0.20 0.00 0.84 0.00 0.00 57.88 59.23 3k1q h LEU 681 Cb -0.12 0.29 -0.11 0.00 0.37 0.00 0.00 40.66 41.09 3k1q h LEU 681 CO -0.06 -0.79 0.61 1.88 -0.34 0.00 0.00 178.44 179.74 3k1q h TYR 682 N -1.29 1.07 -0.16 1.25 0.05 -0.72 -1.00 116.97 116.17 3k1q h TYR 682 Ca -0.13 0.03 -0.09 0.00 0.05 0.00 0.00 58.73 58.59 3k1q h TYR 682 Cb 1.00 -0.32 -0.00 0.00 1.01 0.00 0.00 36.73 38.41 3k1q h TYR 682 CO 0.00 0.22 -0.26 0.00 -1.05 0.00 0.00 178.16 177.07 3k1q h ALA 683 N 1.65 0.24 -0.37 3.88 0.00 -0.57 -1.68 119.26 122.42 3k1q h ALA 683 Ca 0.59 -0.39 0.08 0.00 0.00 0.00 0.00 54.91 55.18 3k1q h ALA 683 Cb 0.93 -0.04 -0.08 0.00 0.00 0.00 0.00 17.79 18.60 3k1q h ALA 683 CO -0.39 0.23 -0.16 0.00 0.00 0.00 0.00 179.25 178.93 3k1q h ARG 684 N 0.08 -0.09 -0.35 0.00 3.08 -0.49 -0.80 114.38 115.80 3k1q h ARG 684 Ca 0.01 0.01 0.08 0.00 0.07 0.00 0.00 59.98 60.14 3k1q h ARG 684 Cb 0.84 0.02 -0.08 0.00 0.08 0.00 0.00 29.97 30.84 3k1q h ARG 684 CO 0.06 -0.06 -0.17 -0.97 -1.07 0.00 0.00 179.97 177.76 3k1q h ASN 685 N -0.09 -0.58 -0.12 7.04 -0.73 -1.21 -2.24 115.58 117.65 3k1q h ASN 685 Ca 0.19 0.14 -0.01 0.00 1.87 0.00 0.00 56.30 58.49 3k1q h ASN 685 Cb 0.37 0.32 -0.01 0.00 0.27 0.00 0.00 38.32 39.28 3k1q h ASN 685 CO -0.43 -0.21 0.05 0.00 -0.37 0.00 0.00 177.43 176.47 3k1q h ALA 686 N 1.15 0.16 -0.39 1.57 0.00 -1.17 0.72 119.26 121.31 3k1q h ALA 686 Ca 0.18 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 55.01 3k1q h ALA 686 Cb 0.39 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 3k1q h ALA 686 CO -0.43 -0.26 0.22 0.00 0.00 0.00 0.00 179.25 178.79 3k1q h ALA 687 N 0.89 0.49 -0.48 0.00 0.00 -0.91 -1.26 119.26 117.99 3k1q h ALA 687 Ca 0.04 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.82 3k1q h ALA 687 Cb 0.17 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3k1q h ALA 687 CO -0.00 -0.12 -0.19 0.82 0.00 0.00 0.00 179.25 179.76 3k1q h ILE 688 N 0.45 1.27 -0.47 0.00 2.04 -1.40 -2.39 117.51 117.01 3k1q h ILE 688 Ca 0.15 -1.35 0.10 0.00 1.00 0.00 0.00 64.86 64.76 3k1q h ILE 688 Cb 0.01 1.10 -0.10 0.00 -0.74 0.00 0.00 36.82 37.09 3k1q h ILE 688 CO -0.08 0.47 -0.19 -0.78 0.00 0.00 0.00 178.15 177.57 3k1q h ASP 689 N 0.84 -0.66 -0.20 1.72 3.58 -0.47 0.11 116.42 121.34 3k1q h ASP 689 Ca 0.12 0.17 -0.01 0.00 0.42 0.00 0.00 57.03 57.72 3k1q h ASP 689 Cb 0.76 0.37 -0.01 0.00 1.72 0.00 0.00 39.33 42.17 3k1q h ASP 689 CO 0.06 -0.22 0.10 0.03 -2.88 0.00 0.00 179.24 176.33 3k1q h ARG 690 N -0.08 0.29 -0.02 0.28 3.08 -0.74 -1.96 114.38 115.24 3k1q h ARG 690 Ca 0.23 -0.04 0.01 0.00 0.07 0.00 0.00 59.98 60.24 3k1q h ARG 690 Cb 0.43 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.41 3k1q h ARG 690 CO -0.53 0.30 -0.14 0.00 -1.07 0.00 0.00 179.97 178.53 3k1q h ALA 691 N 0.97 -0.59 -0.97 0.04 0.00 -1.20 -3.30 119.26 114.22 3k1q h ALA 691 Ca 0.07 -0.02 0.23 0.00 0.00 0.00 0.00 54.91 55.19 3k1q h ALA 691 Cb 0.11 0.65 -0.08 0.00 0.00 0.00 0.00 17.79 18.47 3k1q h ALA 691 CO -0.01 -0.63 0.63 0.28 0.00 0.00 0.00 179.25 179.52 3k1q h VAL 692 N -0.17 0.63 0.00 0.00 2.07 -0.37 -0.21 116.25 118.19 3k1q h VAL 692 Ca 0.01 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.38 3k1q h VAL 692 Cb 0.19 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.12 3k1q h VAL 692 CO -0.10 0.08 0.29 0.71 0.02 0.00 0.00 177.57 178.57 3k1q h THR 693 N 0.43 0.00 0.00 2.57 1.35 -1.45 -1.69 112.91 114.12 3k1q h THR 693 Ca 0.52 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.38 3k1q h THR 693 Cb 1.28 0.35 0.00 0.00 -1.73 0.00 0.00 68.15 68.05 3k1q h THR 693 CO -0.23 0.00 -1.16 1.41 -0.25 0.00 0.00 175.52 175.29 3k1q n HIS 694 N -2.17 0.15 -2.62 4.73 8.25 -0.09 -4.93 115.22 118.53 3k1q n HIS 694 Ca -0.01 0.04 -0.41 0.00 -0.26 0.00 0.00 57.72 57.09 3k1q n HIS 694 Cb 0.32 -0.34 -0.05 0.00 1.12 0.00 0.00 29.99 31.04 3k1q n HIS 694 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3k1q s ILE 695 N -3.20 4.05 0.21 1.59 1.01 -0.64 -3.88 121.20 120.35 3k1q s ILE 695 Ca 0.03 1.84 -0.32 0.00 0.00 0.00 0.00 60.65 62.20 3k1q s ILE 695 Cb 0.15 -4.17 -0.12 0.00 0.01 0.00 0.00 42.46 38.32 3k1q s ILE 695 CO 0.83 0.35 1.71 -0.81 0.00 0.00 0.00 174.94 177.02 3k1q n PRO 696 N 2.15 2.75 -0.85 2.79 -0.04 -1.26 -5.01 135.00 135.54 3k1q n PRO 696 Ca 0.01 0.99 -0.31 0.00 -0.04 0.00 0.00 63.50 64.15 3k1q n PRO 696 Cb 0.47 -2.83 0.15 0.00 -0.04 0.00 0.00 33.50 31.25 3k1q n PRO 696 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 3k1q s PHE 697 N 1.09 1.84 0.13 0.54 2.19 -1.26 -4.99 117.98 117.51 3k1q s PHE 697 Ca 0.75 1.74 -0.34 0.00 0.33 0.00 0.00 56.93 59.40 3k1q s PHE 697 Cb -0.51 -3.29 -0.17 0.00 -1.31 0.00 0.00 43.02 37.74 3k1q s PHE 697 CO 0.33 -2.59 1.08 1.19 1.83 0.00 0.00 175.22 177.07 3k1q n PHE 698 N -4.02 0.95 -3.68 10.12 3.01 -1.26 -3.52 117.46 119.06 3k1q n PHE 698 Ca 0.11 0.79 -0.24 0.00 1.01 0.00 0.00 57.45 59.12 3k1q n PHE 698 Cb 0.52 -2.20 0.03 0.00 -0.01 0.00 0.00 39.48 37.82 3k1q n PHE 698 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3k1q n GLY 699 N 1.96 -0.60 3.39 1.37 0.00 -1.26 -4.97 105.19 105.08 3k1q n GLY 699 Ca 0.17 0.28 -0.39 0.00 0.00 0.00 0.00 46.02 46.08 3k1q n GLY 699 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3k1q s VAL 700 N -3.62 4.44 0.67 1.61 1.01 -1.23 -5.09 120.40 118.20 3k1q s VAL 700 Ca 0.20 -0.69 -0.16 0.00 0.00 0.00 0.00 61.98 61.33 3k1q s VAL 700 Cb -0.06 -3.38 0.01 0.00 0.00 0.00 0.00 36.38 32.95 3k1q s VAL 700 CO 0.83 -0.07 1.16 -2.84 0.00 0.00 0.00 175.10 174.18 3k1q s PRO 701 N 1.56 2.60 -0.18 2.72 0.02 -1.26 -4.57 135.00 135.88 3k1q s PRO 701 Ca 0.03 1.61 -0.29 0.00 0.02 0.00 0.00 61.00 62.36 3k1q s PRO 701 Cb -0.18 -1.91 -0.06 0.00 0.02 0.00 0.00 34.50 32.37 3k1q s PRO 701 CO 0.06 -1.45 2.17 -0.25 -0.33 0.00 0.00 177.00 177.20 3k1q n ASP 702 N -2.35 3.32 -0.44 2.53 8.00 -1.26 -4.86 116.55 121.48 3k1q n ASP 702 Ca 0.12 0.35 0.09 0.00 0.71 0.00 0.00 54.79 56.06 3k1q n ASP 702 Cb 0.51 -1.52 0.01 0.00 -0.02 0.00 0.00 41.12 40.09 3k1q n ASP 702 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 3k1q n ASP 703 N 10.77 1.83 0.00 -2.24 5.68 -1.26 -4.83 116.55 126.51 3k1q n ASP 703 Ca 0.29 -1.42 0.00 0.00 -0.50 0.00 0.00 54.79 53.16 3k1q n ASP 703 Cb 0.42 0.41 0.00 0.00 -1.14 0.00 0.00 41.12 40.81 3k1q n ASP 703 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3k1q n GLY 704 N 1.19 2.15 0.15 6.12 0.00 -1.26 -4.82 105.19 108.72 3k1q n GLY 704 Ca 0.08 -0.37 -0.17 0.00 0.00 0.00 0.00 46.02 45.56 3k1q n GLY 704 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3k1q h THR 705 N 0.00 1.38 -2.18 2.61 1.35 -1.95 -3.48 112.91 110.64 3k1q h THR 705 Ca 0.00 -2.59 -0.62 0.00 -0.55 0.00 0.00 66.41 62.65 3k1q h THR 705 Cb 0.00 2.63 0.07 0.00 -1.73 0.00 0.00 68.15 69.12 3k1q h THR 705 CO 0.00 0.77 0.59 -1.54 -0.25 0.00 0.00 175.52 175.10 3k1q n SER 706 N -3.71 2.41 -0.30 5.36 3.41 -1.26 -4.84 113.62 114.68 3k1q n SER 706 Ca -0.10 1.11 0.35 0.00 -0.26 0.00 0.00 58.87 59.98 3k1q n SER 706 Cb 0.93 -1.34 0.69 0.00 -0.26 0.00 0.00 64.21 64.23 3k1q n SER 706 CO 0.00 0.00 0.00 -0.78 -0.16 0.00 0.00 175.04 174.10 3k1q h ASP 707 N 4.82 0.00 -4.19 4.04 1.82 -1.92 -3.38 116.42 117.61 3k1q h ASP 707 Ca -0.45 0.00 -0.34 0.00 -0.39 0.00 0.00 57.03 55.84 3k1q h ASP 707 Cb 1.29 0.00 -0.26 0.00 0.68 0.00 0.00 39.33 41.04 3k1q h ASP 707 CO 0.80 0.00 -0.76 -0.76 -1.61 0.00 0.00 179.24 176.91 3k1q s LEU 708 N -7.62 2.09 0.00 2.28 1.02 -1.25 -2.60 118.68 112.61 3k1q s LEU 708 Ca -0.04 -0.27 0.00 0.00 0.02 0.00 0.00 54.13 53.84 3k1q s LEU 708 Cb 0.20 -0.33 0.00 0.00 0.02 0.00 0.00 46.19 46.08 3k1q s LEU 708 CO 0.70 0.01 0.00 0.61 0.02 0.00 0.00 176.35 177.68 3k1q n GLY 709 N 2.44 -0.39 3.30 -3.19 0.00 -1.17 -4.75 105.19 101.43 3k1q n GLY 709 Ca -0.16 -1.01 -0.36 0.00 0.00 0.00 0.00 46.02 44.49 3k1q n GLY 709 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3k1q s ILE 710 N -2.00 3.59 -0.35 -0.61 1.01 -1.26 -0.60 121.20 120.98 3k1q s ILE 710 Ca 0.00 -0.79 -0.04 0.00 0.00 0.00 0.00 60.65 59.83 3k1q s ILE 710 Cb 0.00 -2.83 0.07 0.00 0.01 0.00 0.00 42.46 39.70 3k1q s ILE 710 CO 0.00 0.13 0.10 -1.81 0.00 0.00 0.00 174.94 173.36 3k1q s ASP 711 N 1.44 5.14 -0.05 3.58 1.11 0.60 -4.75 116.67 123.73 3k1q s ASP 711 Ca 0.02 -1.49 0.05 0.00 0.18 0.00 0.00 52.55 51.31 3k1q s ASP 711 Cb -0.17 -1.80 -0.01 0.00 1.07 0.00 0.00 42.92 42.02 3k1q s ASP 711 CO -0.00 -0.38 -0.22 0.00 1.18 0.00 0.00 175.17 175.75 3k1q s ALA 712 N 1.26 1.95 0.07 5.23 0.00 -1.26 -0.58 121.76 128.43 3k1q s ALA 712 Ca 0.00 -0.93 0.04 0.00 0.00 0.00 0.00 51.96 51.08 3k1q s ALA 712 Cb -0.21 -0.62 -0.04 0.00 0.00 0.00 0.00 23.12 22.25 3k1q s ALA 712 CO -0.01 0.36 -0.02 0.14 0.00 0.00 0.00 175.76 176.24 3k1q s VAL 713 N -0.07 3.93 0.10 0.00 -7.23 -0.13 -1.08 120.40 115.92 3k1q s VAL 713 Ca -0.04 -0.93 0.08 0.00 -1.81 0.00 0.00 61.98 59.28 3k1q s VAL 713 Cb -0.13 -2.83 -0.03 0.00 0.56 0.00 0.00 36.38 33.94 3k1q s VAL 713 CO 0.03 0.19 -0.21 0.00 -0.31 0.00 0.00 175.10 174.81 3k1q s ARG 714 N -2.08 1.14 -0.36 4.82 1.70 0.38 0.39 118.95 124.94 3k1q s ARG 714 Ca 0.23 -1.16 -0.04 0.00 -0.47 0.00 0.00 55.73 54.30 3k1q s ARG 714 Cb -0.12 -1.40 0.07 0.00 -0.57 0.00 0.00 34.95 32.93 3k1q s ARG 714 CO 0.15 0.33 0.12 -1.17 -1.08 0.00 0.00 175.30 173.65 3k1q s LEU 715 N -1.89 4.59 -0.64 -1.89 2.96 -0.24 -4.77 118.68 116.80 3k1q s LEU 715 Ca 0.07 -1.55 -0.27 0.00 -0.22 0.00 0.00 54.13 52.15 3k1q s LEU 715 Cb -0.10 -1.81 0.00 0.00 0.50 0.00 0.00 46.19 44.79 3k1q s LEU 715 CO 0.04 -0.40 1.56 -0.36 -1.32 0.00 0.00 176.35 175.87 3k1q s PHE 716 N 1.25 2.02 -0.09 5.38 0.40 -1.26 -0.04 117.98 125.64 3k1q s PHE 716 Ca 0.01 0.42 -0.07 0.00 -0.60 0.00 0.00 56.93 56.69 3k1q s PHE 716 Cb -0.21 -4.35 0.03 0.00 0.51 0.00 0.00 43.02 39.00 3k1q s PHE 716 CO -0.01 -2.17 0.14 -0.25 0.70 0.00 0.00 175.22 173.62 3k1q n ASP 717 N 10.81 -4.72 -4.62 1.36 10.43 -0.86 -4.62 116.55 124.33 3k1q n ASP 717 Ca 0.13 1.61 -0.43 0.00 2.57 0.00 0.00 54.79 58.67 3k1q n ASP 717 Cb 0.50 -5.30 -0.03 0.00 1.84 0.00 0.00 41.12 38.14 3k1q n ASP 717 CO 0.00 0.00 0.00 -2.16 -1.07 0.00 0.00 177.20 173.97 3k1q s PRO 718 N -0.64 3.64 -0.69 -0.24 0.04 -1.26 -4.88 135.00 130.97 3k1q s PRO 718 Ca -0.16 1.85 0.01 0.00 0.04 0.00 0.00 61.00 62.74 3k1q s PRO 718 Cb 0.01 -4.15 0.38 0.00 0.04 0.00 0.00 34.50 30.78 3k1q s PRO 718 CO 0.42 -1.49 1.67 -1.33 0.04 0.00 0.00 177.00 176.31 3k1q n MET 719 N 7.99 3.01 -0.02 4.56 2.81 -1.26 -4.79 117.12 129.42 3k1q n MET 719 Ca 0.22 -3.90 -0.13 0.00 -1.81 0.00 0.00 57.70 52.08 3k1q n MET 719 Cb 0.45 -2.26 -0.09 0.00 -0.71 0.00 0.00 33.22 30.61 3k1q n MET 719 CO 0.00 0.00 0.00 0.74 1.51 0.00 0.00 175.97 178.22 3k1q h PHE 720 N 2.82 -1.45 0.00 2.03 0.05 -1.96 -3.45 116.94 114.99 3k1q h PHE 720 Ca 0.47 0.06 0.00 0.00 3.82 0.00 0.00 57.97 62.31 3k1q h PHE 720 Cb 0.39 0.65 0.00 0.00 2.00 0.00 0.00 35.95 38.99 3k1q h PHE 720 CO 1.04 -0.48 0.00 -1.13 -0.18 0.00 0.00 178.31 177.56 3k1q n SER 721 N -5.09 0.00 0.00 2.17 3.41 -1.26 -4.76 113.62 108.08 3k1q n SER 721 Ca -0.05 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.56 3k1q n SER 721 Cb 0.33 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.28 3k1q n SER 721 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3k1q n ASP 722 N 7.37 0.00 -0.00 4.04 -0.08 -1.26 -4.75 116.55 121.87 3k1q n ASP 722 Ca 0.00 0.00 -0.17 0.00 -1.51 0.00 0.00 54.79 53.11 3k1q n ASP 722 Cb 0.00 0.00 -0.13 0.00 2.34 0.00 0.00 41.12 43.33 3k1q n ASP 722 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3k1q h ALA 723 N 1.21 -0.01 -1.23 -1.67 0.00 -1.95 -3.40 119.26 112.21 3k1q h ALA 723 Ca 0.00 -0.57 0.35 0.00 0.00 0.00 0.00 54.91 54.70 3k1q h ALA 723 Cb 0.00 0.04 -0.08 0.00 0.00 0.00 0.00 17.79 17.76 3k1q h ALA 723 CO 0.00 0.21 0.85 0.28 0.00 0.00 0.00 179.25 180.59 3k1q h VAL 724 N -0.48 0.37 -0.61 0.00 2.07 -1.98 -2.23 116.25 113.39 3k1q h VAL 724 Ca -0.07 -0.05 0.18 0.00 0.82 0.00 0.00 66.70 67.58 3k1q h VAL 724 Cb 1.27 0.22 -0.03 0.00 -1.52 0.00 0.00 31.29 31.24 3k1q h VAL 724 CO 0.09 0.02 0.44 0.00 0.02 0.00 0.00 177.57 178.14 3k1q h ALA 725 N 1.47 2.56 -0.25 1.67 0.00 -1.93 -3.46 119.26 119.33 3k1q h ALA 725 Ca 0.64 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.53 3k1q h ALA 725 Cb 2.21 0.04 0.00 0.00 0.00 0.00 0.00 17.79 20.05 3k1q h ALA 725 CO -0.16 -0.74 0.00 0.09 0.00 0.00 0.00 179.25 178.45 3k1q n ASN 726 N -4.36 0.00 -0.36 0.00 3.02 -0.84 -4.34 115.26 108.38 3k1q n ASN 726 Ca 0.12 0.00 -0.01 0.00 -0.03 0.00 0.00 54.58 54.66 3k1q n ASN 726 Cb 0.68 0.00 0.12 0.00 -0.61 0.00 0.00 39.78 39.97 3k1q n ASN 726 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 3k1q h LEU 727 N 0.00 1.07 0.67 3.41 5.85 -1.91 0.69 115.31 125.10 3k1q h LEU 727 Ca 0.00 -0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.67 3k1q h LEU 727 Cb 0.00 -0.25 0.01 0.00 0.37 0.00 0.00 40.66 40.79 3k1q h LEU 727 CO 0.00 0.75 -0.32 -0.65 -0.34 0.00 0.00 178.44 177.87 3k1q h PRO 728 N 1.25 -0.87 -0.61 5.25 0.11 -1.89 -2.37 132.00 132.88 3k1q h PRO 728 Ca 0.38 0.06 0.12 0.00 0.11 0.00 0.00 66.00 66.67 3k1q h PRO 728 Cb -0.05 0.20 -0.10 0.00 0.11 0.00 0.00 31.00 31.16 3k1q h PRO 728 CO -0.11 -0.58 0.03 0.77 -0.21 0.00 0.00 178.00 177.90 3k1q h SER 729 N -1.07 -0.21 -0.87 -2.05 0.02 -1.60 -1.02 113.55 106.76 3k1q h SER 729 Ca -0.09 0.14 -0.01 0.00 -0.84 0.00 0.00 61.79 60.99 3k1q h SER 729 Cb 0.69 0.24 -0.04 0.00 0.14 0.00 0.00 62.40 63.43 3k1q h SER 729 CO 0.15 -0.09 0.49 0.78 -1.14 0.00 0.00 176.83 177.02 3k1q h ASN 730 N 0.15 1.07 -0.35 3.07 2.35 0.29 -0.33 115.58 121.83 3k1q h ASN 730 Ca 0.32 -0.09 -0.04 0.00 -0.55 0.00 0.00 56.30 55.94 3k1q h ASN 730 Cb 0.51 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.59 3k1q h ASN 730 CO -0.49 0.85 0.06 0.00 -1.65 0.00 0.00 177.43 176.20 3k1q h ALA 731 N 1.32 0.46 -0.20 -0.83 0.00 -0.66 0.16 119.26 119.52 3k1q h ALA 731 Ca 0.31 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 55.04 3k1q h ALA 731 Cb 0.01 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3k1q h ALA 731 CO -0.05 0.15 -0.12 -0.11 0.00 0.00 0.00 179.25 179.13 3k1q n LEU 732 N -4.59 -0.21 -0.30 0.00 7.94 -0.62 -0.90 117.00 118.33 3k1q n LEU 732 Ca -0.02 1.10 0.11 0.00 -1.11 0.00 0.00 56.01 56.09 3k1q n LEU 732 Cb 0.22 -0.42 0.24 0.00 0.53 0.00 0.00 43.42 43.99 3k1q n LEU 732 CO 0.38 -0.66 0.85 0.00 -1.11 0.00 0.00 177.39 176.85 3k1q h ALA 733 N -0.65 1.05 -0.11 1.96 0.00 -0.93 -1.57 119.26 119.01 3k1q h ALA 733 Ca 0.03 0.27 0.02 0.00 0.00 0.00 0.00 54.91 55.23 3k1q h ALA 733 Cb 0.08 0.46 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 3k1q h ALA 733 CO -0.18 -0.49 -0.01 1.03 0.00 0.00 0.00 179.25 179.60 3k1q h SER 734 N 0.10 -0.06 -0.76 0.00 0.87 -0.14 -0.07 113.55 113.48 3k1q h SER 734 Ca 0.52 0.03 0.01 0.00 -1.23 0.00 0.00 61.79 61.11 3k1q h SER 734 Cb 1.01 0.05 -0.04 0.00 -0.44 0.00 0.00 62.40 62.98 3k1q h SER 734 CO -0.76 -0.01 0.51 0.25 -0.53 0.00 0.00 176.83 176.29 3k1q h LEU 735 N 0.02 0.87 -0.66 2.23 5.85 -0.57 -0.48 115.31 122.58 3k1q h LEU 735 Ca 0.05 -0.02 -0.11 0.00 0.84 0.00 0.00 57.88 58.64 3k1q h LEU 735 Cb 0.06 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.86 3k1q h LEU 735 CO -0.09 0.63 -0.13 0.58 -0.34 0.00 0.00 178.44 179.09 3k1q h VAL 736 N 1.03 1.27 -0.80 1.05 2.07 -1.06 -2.03 116.25 117.78 3k1q h VAL 736 Ca 0.28 -1.25 -0.02 0.00 0.82 0.00 0.00 66.70 66.53 3k1q h VAL 736 Cb -0.11 1.02 -0.04 0.00 -1.52 0.00 0.00 31.29 30.65 3k1q h VAL 736 CO -0.06 0.43 0.42 -1.28 0.02 0.00 0.00 177.57 177.11 3k1q h SER 737 N 0.81 1.00 -0.54 0.57 0.87 -0.17 0.33 113.55 116.42 3k1q h SER 737 Ca 0.13 -0.09 -0.02 0.00 -1.23 0.00 0.00 61.79 60.58 3k1q h SER 737 Cb 0.66 -0.25 -0.03 0.00 -0.44 0.00 0.00 62.40 62.34 3k1q h SER 737 CO 0.05 0.81 0.27 -0.09 -0.53 0.00 0.00 176.83 177.34 3k1q h ARG 738 N 1.12 0.81 0.03 2.24 9.65 -0.67 -3.37 114.38 124.18 3k1q h ARG 738 Ca 0.28 -0.10 -0.33 0.00 -1.10 0.00 0.00 59.98 58.73 3k1q h ARG 738 Cb 0.04 -0.15 -0.05 0.00 -1.39 0.00 0.00 29.97 28.42 3k1q h ARG 738 CO -0.04 0.63 -1.93 1.33 2.80 0.00 0.00 179.97 182.76 3k1q n VAL 739 N -4.36 1.61 -2.83 0.20 0.24 -0.80 -4.48 118.33 107.91 3k1q n VAL 739 Ca 0.05 -0.76 -0.01 0.00 -2.04 0.00 0.00 64.34 61.58 3k1q n VAL 739 Cb 0.13 -1.13 -0.01 0.00 -1.47 0.00 0.00 33.84 31.36 3k1q n VAL 739 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 3k1q n VAL 740 N -3.11 -2.39 -0.72 3.34 0.31 0.09 -3.35 118.33 112.49 3k1q n VAL 740 Ca -0.25 0.37 0.00 0.00 -0.01 0.00 0.00 64.34 64.46 3k1q n VAL 740 Cb 1.06 -2.84 0.00 0.00 -0.91 0.00 0.00 33.84 31.15 3k1q n VAL 740 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 3k1q n PRO 741 N 2.35 -0.19 0.01 5.55 -0.02 -1.26 -4.74 135.00 136.69 3k1q n PRO 741 Ca -0.05 -0.09 0.00 0.00 -2.02 0.00 0.00 63.50 61.34 3k1q n PRO 741 Cb 0.07 0.17 0.00 0.00 -0.02 0.00 0.00 33.50 33.72 3k1q n PRO 741 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3k1q n SER 742 N 0.18 0.18 -4.38 2.55 3.41 -1.21 -5.08 113.62 109.25 3k1q n SER 742 Ca 0.00 0.03 -0.33 0.00 -0.26 0.00 0.00 58.87 58.31 3k1q n SER 742 Cb 0.00 -0.05 -0.14 0.00 -0.26 0.00 0.00 64.21 63.76 3k1q n SER 742 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3k1q s SER 743 N -5.12 3.87 -0.29 4.04 1.04 -1.26 -5.09 113.70 110.88 3k1q s SER 743 Ca 0.00 -0.32 0.03 0.00 0.48 0.00 0.00 55.95 56.14 3k1q s SER 743 Cb 0.00 -1.28 0.20 0.00 0.10 0.00 0.00 66.02 65.04 3k1q s SER 743 CO 0.00 0.23 0.67 -0.51 0.98 0.00 0.00 173.24 174.61 3k1q s ILE 744 N -0.04 -0.87 0.05 -1.02 1.10 -1.25 -4.53 121.20 114.63 3k1q s ILE 744 Ca -0.04 0.00 0.06 0.00 -0.51 0.00 0.00 60.65 60.16 3k1q s ILE 744 Cb -0.14 -0.87 -0.04 0.00 0.15 0.00 0.00 42.46 41.56 3k1q s ILE 744 CO 0.04 0.00 -0.11 -0.04 -2.11 0.00 0.00 174.94 172.72 3k1q s MET 745 N 2.85 2.26 0.01 3.50 -1.94 -0.57 -1.84 119.30 123.58 3k1q s MET 745 Ca 0.13 -0.90 0.01 0.00 -1.71 0.00 0.00 55.69 53.22 3k1q s MET 745 Cb -0.09 -2.34 -0.01 0.00 2.01 0.00 0.00 34.83 34.41 3k1q s MET 745 CO -0.25 0.55 -0.02 -0.59 -0.01 0.00 0.00 175.02 174.70 3k1q s PHE 746 N -1.04 0.21 -0.18 -0.03 -0.71 0.12 -0.47 117.98 115.88 3k1q s PHE 746 Ca 0.18 -0.16 -0.08 0.00 -1.04 0.00 0.00 56.93 55.83 3k1q s PHE 746 Cb -0.11 -0.14 0.08 0.00 -1.21 0.00 0.00 43.02 41.64 3k1q s PHE 746 CO 0.09 -0.05 0.40 0.95 -1.34 0.00 0.00 175.22 175.27 3k1q s THR 747 N -0.43 -0.38 -0.93 -4.49 -4.23 -0.77 -3.53 115.64 100.88 3k1q s THR 747 Ca -0.04 0.15 -0.22 0.00 -1.18 0.00 0.00 61.69 60.40 3k1q s THR 747 Cb -0.03 -0.62 0.07 0.00 1.34 0.00 0.00 72.50 73.26 3k1q s THR 747 CO -0.00 0.06 1.28 -0.60 -0.54 0.00 0.00 174.62 174.83 3k1q s ARG 748 N 2.12 3.50 0.01 3.99 3.52 -1.13 -1.70 118.95 129.25 3k1q s ARG 748 Ca -0.04 -1.19 -0.30 0.00 -0.13 0.00 0.00 55.73 54.06 3k1q s ARG 748 Cb -0.11 -4.98 -0.06 0.00 -1.56 0.00 0.00 34.95 28.25 3k1q s ARG 748 CO -0.12 -2.03 1.38 0.14 -0.81 0.00 0.00 175.30 173.86 3k1q s VAL 749 N 4.28 3.71 -0.41 7.11 -7.23 0.29 -0.69 120.40 127.46 3k1q s VAL 749 Ca 0.38 1.11 -0.38 0.00 -1.81 0.00 0.00 61.98 61.29 3k1q s VAL 749 Cb -0.04 -3.72 -0.14 0.00 0.56 0.00 0.00 36.38 33.05 3k1q s VAL 749 CO -0.05 0.01 2.19 -0.81 -0.31 0.00 0.00 175.10 176.13 3k1q n PRO 750 N 5.19 0.71 -3.58 4.82 -0.04 -1.26 -4.48 135.00 136.36 3k1q n PRO 750 Ca 0.13 0.19 -0.11 0.00 -0.04 0.00 0.00 63.50 63.67 3k1q n PRO 750 Cb 0.44 -2.15 -0.06 0.00 -0.04 0.00 0.00 33.50 31.69 3k1q n PRO 750 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3k1q s SER 751 N 7.03 -0.41 -0.27 3.54 1.04 -1.26 -4.98 113.70 118.38 3k1q s SER 751 Ca 1.13 0.53 -0.01 0.00 0.48 0.00 0.00 55.95 58.08 3k1q s SER 751 Cb -1.06 0.44 0.04 0.00 0.10 0.00 0.00 66.02 65.54 3k1q s SER 751 CO 0.54 -0.33 -0.04 0.20 0.98 0.00 0.00 173.24 174.59 3k1q s ASN 752 N -0.85 4.58 0.00 7.02 0.02 -1.26 -4.76 114.94 119.68 3k1q s ASN 752 Ca -0.02 -1.12 0.00 0.00 -1.02 0.00 0.00 52.86 50.71 3k1q s ASN 752 Cb -0.01 -1.67 0.00 0.00 0.02 0.00 0.00 41.25 39.59 3k1q s ASN 752 CO 0.01 -0.19 0.00 0.61 0.02 0.00 0.00 177.10 177.54 3k1q n GLY 753 N 4.62 0.18 3.64 0.66 0.00 -1.26 -4.79 105.19 108.23 3k1q n GLY 753 Ca -0.15 -1.48 -0.43 0.00 0.00 0.00 0.00 46.02 43.96 3k1q n GLY 753 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3k1q s PRO 754 N -0.12 4.02 -0.98 1.61 0.02 -1.26 -4.84 135.00 133.44 3k1q s PRO 754 Ca 0.00 1.36 -0.23 0.00 0.02 0.00 0.00 61.00 62.15 3k1q s PRO 754 Cb 0.00 -3.84 0.05 0.00 0.02 0.00 0.00 34.50 30.74 3k1q s PRO 754 CO 0.00 -0.98 1.41 0.08 -0.33 0.00 0.00 177.00 177.18 3k1q s VAL 755 N 4.07 3.93 -0.07 3.83 1.01 -1.26 -4.77 120.40 127.15 3k1q s VAL 755 Ca 0.55 -0.65 -0.30 0.00 0.00 0.00 0.00 61.98 61.58 3k1q s VAL 755 Cb -0.18 -5.03 -0.05 0.00 0.00 0.00 0.00 36.38 31.12 3k1q s VAL 755 CO 0.20 -1.91 1.67 -0.55 0.00 0.00 0.00 175.10 174.51 3k1q s SER 756 N 4.77 6.62 -0.99 3.32 0.15 -1.26 -2.03 113.70 124.28 3k1q s SER 756 Ca 0.44 2.20 -0.05 0.00 0.70 0.00 0.00 55.95 59.24 3k1q s SER 756 Cb -0.01 -2.53 0.25 0.00 -1.71 0.00 0.00 66.02 62.01 3k1q s SER 756 CO -0.07 -0.98 0.92 -0.89 1.20 0.00 0.00 173.24 173.43 3k1q s THR 757 N 4.22 5.07 0.16 6.45 2.01 0.94 -0.54 115.64 133.95 3k1q s THR 757 Ca 0.74 -3.69 -0.32 0.00 0.31 0.00 0.00 61.69 58.74 3k1q s THR 757 Cb -0.33 -4.09 -0.10 0.00 0.01 0.00 0.00 72.50 67.99 3k1q s THR 757 CO 0.30 -1.13 1.60 -0.89 -0.69 0.00 0.00 174.62 173.81 3k1q s THR 758 N -1.33 2.57 -0.20 -0.82 2.01 -0.69 -1.08 115.64 116.10 3k1q s THR 758 Ca 0.29 0.38 -0.02 0.00 0.31 0.00 0.00 61.69 62.66 3k1q s THR 758 Cb -0.08 -3.25 0.00 0.00 0.01 0.00 0.00 72.50 69.18 3k1q s THR 758 CO -0.11 0.03 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.11 3k1q s ILE 759 N 1.28 2.83 -0.12 1.82 1.01 0.16 -1.84 121.20 126.33 3k1q s ILE 759 Ca 0.71 -0.68 0.01 0.00 0.00 0.00 0.00 60.65 60.69 3k1q s ILE 759 Cb -0.44 -2.25 -0.01 0.00 0.01 0.00 0.00 42.46 39.76 3k1q s ILE 759 CO 0.31 0.47 -0.16 -0.47 0.00 0.00 0.00 174.94 175.10 3k1q s TYR 760 N 1.38 2.75 0.15 3.97 6.14 0.37 -0.96 117.35 131.16 3k1q s TYR 760 Ca 0.05 -0.71 -0.01 0.00 0.64 0.00 0.00 57.07 57.04 3k1q s TYR 760 Cb -0.14 -1.81 -0.04 0.00 0.42 0.00 0.00 41.96 40.39 3k1q s TYR 760 CO -0.07 -0.24 0.06 0.20 0.64 0.00 0.00 175.55 176.14 3k1q s GLY 761 N 0.31 1.11 -0.18 8.97 0.00 0.25 -1.51 107.32 116.27 3k1q s GLY 761 Ca -0.12 -1.54 -0.01 0.00 0.00 0.00 0.00 44.72 43.06 3k1q s GLY 761 CO 0.06 -1.40 -0.14 0.54 0.00 0.00 0.00 173.10 172.17 3k1q s LYS 762 N -4.05 3.18 0.19 2.90 1.02 -1.26 -0.29 119.74 121.43 3k1q s LYS 762 Ca 0.27 -0.74 -0.28 0.00 0.02 0.00 0.00 55.97 55.23 3k1q s LYS 762 Cb 0.07 -2.72 -0.08 0.00 -0.52 0.00 0.00 37.83 34.58 3k1q s LYS 762 CO 0.04 -0.14 0.89 -0.98 -0.92 0.00 0.00 175.35 174.24 3k1q s ARG 763 N 1.20 4.73 0.08 1.68 1.70 0.24 -4.68 118.95 123.90 3k1q s ARG 763 Ca 0.02 1.37 0.06 0.00 -0.47 0.00 0.00 55.73 56.70 3k1q s ARG 763 Cb -0.14 -3.29 -0.03 0.00 -0.57 0.00 0.00 34.95 30.92 3k1q s ARG 763 CO -0.06 0.48 -0.15 0.95 -1.08 0.00 0.00 175.30 175.44 3k1q s THR 764 N -0.96 1.23 0.31 4.99 -4.23 -1.25 -3.05 115.64 112.69 3k1q s THR 764 Ca 0.40 -1.36 0.08 0.00 -1.18 0.00 0.00 61.69 59.63 3k1q s THR 764 Cb -0.25 -1.17 0.33 0.00 1.34 0.00 0.00 72.50 72.76 3k1q s THR 764 CO 0.30 -0.20 1.64 2.19 -0.54 0.00 0.00 174.62 178.01 3k1q h PHE 765 N 4.24 0.55 0.06 3.99 -5.15 -1.78 -2.54 116.94 116.32 3k1q h PHE 765 Ca -0.42 0.05 0.02 0.00 -0.20 0.00 0.00 57.97 57.42 3k1q h PHE 765 Cb 1.19 -0.09 -0.03 0.00 0.22 0.00 0.00 35.95 37.24 3k1q h PHE 765 CO 0.63 -0.24 -0.22 -0.07 -2.00 0.00 0.00 178.31 176.42 3k1q h LEU 766 N 0.22 -0.62 -1.15 2.10 3.38 -1.91 -2.87 115.31 114.46 3k1q h LEU 766 Ca 0.64 0.08 0.18 0.00 0.09 0.00 0.00 57.88 58.87 3k1q h LEU 766 Cb 1.40 0.25 -0.09 0.00 0.09 0.00 0.00 40.66 42.30 3k1q h LEU 766 CO -0.67 -0.29 0.61 0.77 0.09 0.00 0.00 178.44 178.95 3k1q h SER 767 N -0.38 0.72 -0.71 -0.43 4.64 -1.77 -2.29 113.55 113.33 3k1q h SER 767 Ca 0.04 0.07 0.03 0.00 -0.47 0.00 0.00 61.79 61.47 3k1q h SER 767 Cb 0.43 -0.06 -0.04 0.00 -0.31 0.00 0.00 62.40 62.41 3k1q h SER 767 CO -0.16 0.29 0.47 0.78 -0.87 0.00 0.00 176.83 177.35 3k1q h ASN 768 N 0.72 0.74 0.23 4.97 2.35 -1.25 -2.53 115.58 120.81 3k1q h ASN 768 Ca 0.53 -0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 56.26 3k1q h ASN 768 Cb 0.88 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 39.08 3k1q h ASN 768 CO -0.30 0.51 -0.11 0.03 -1.65 0.00 0.00 177.43 175.91 3k1q h ARG 769 N 0.86 -0.29 -0.54 0.81 3.08 -1.25 -1.13 114.38 115.92 3k1q h ARG 769 Ca 0.28 0.02 0.07 0.00 0.07 0.00 0.00 59.98 60.42 3k1q h ARG 769 Cb 0.05 0.07 -0.06 0.00 0.08 0.00 0.00 29.97 30.11 3k1q h ARG 769 CO -0.08 -0.14 0.22 -0.09 -1.07 0.00 0.00 179.97 178.81 3k1q h ARG 770 N -0.38 0.41 -0.86 0.04 9.65 -1.53 -3.01 114.38 118.70 3k1q h ARG 770 Ca -0.03 -0.02 0.12 0.00 -1.10 0.00 0.00 59.98 58.95 3k1q h ARG 770 Cb 0.29 -0.09 -0.06 0.00 -1.39 0.00 0.00 29.97 28.71 3k1q h ARG 770 CO 0.05 0.27 0.56 -0.09 2.80 0.00 0.00 179.97 183.56 3k1q h ARG 771 N 0.42 0.70 -0.09 0.20 2.43 -0.96 -1.25 114.38 115.82 3k1q h ARG 771 Ca 0.25 -0.04 -0.10 0.00 -0.81 0.00 0.00 59.98 59.29 3k1q h ARG 771 Cb 0.25 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.63 3k1q h ARG 771 CO -0.23 0.46 -0.38 0.00 -1.51 0.00 0.00 179.97 178.31 3k1q h ALA 772 N 1.59 1.20 0.00 2.80 0.00 -1.15 -0.85 119.26 122.85 3k1q h ALA 772 Ca 0.42 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3k1q h ALA 772 Cb 0.61 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3k1q h ALA 772 CO -0.18 0.55 0.00 -0.09 0.00 0.00 0.00 179.25 179.53 3k1q h ARG 773 N 0.16 0.00 -6.68 0.00 2.43 -1.10 -3.47 114.38 105.73 3k1q h ARG 773 Ca 0.02 0.00 -0.52 0.00 -0.81 0.00 0.00 59.98 58.66 3k1q h ARG 773 Cb 0.75 0.00 0.04 0.00 -0.42 0.00 0.00 29.97 30.34 3k1q h ARG 773 CO 0.06 0.00 0.70 -0.51 -1.51 0.00 0.00 179.97 178.71 3k1q s LEU 774 N -5.96 4.40 0.08 3.80 1.43 -0.33 -4.80 118.68 117.30 3k1q s LEU 774 Ca 0.04 2.48 -0.14 0.00 -1.03 0.00 0.00 54.13 55.48 3k1q s LEU 774 Cb 0.08 -3.61 -0.18 0.00 0.03 0.00 0.00 46.19 42.51 3k1q s LEU 774 CO 0.57 -0.61 1.26 -0.09 0.23 0.00 0.00 176.35 177.71 3k1q h ARG 775 N 5.54 0.73 -2.22 1.70 2.43 -1.90 -3.49 114.38 117.17 3k1q h ARG 775 Ca -0.45 -0.63 0.18 0.00 -0.81 0.00 0.00 59.98 58.27 3k1q h ARG 775 Cb 1.21 0.14 -0.11 0.00 -0.42 0.00 0.00 29.97 30.80 3k1q h ARG 775 CO 0.79 1.24 0.53 -0.51 -1.51 0.00 0.00 179.97 180.51 3k1q s ASP 776 N -7.07 -0.21 -0.38 -3.80 1.11 -1.26 -4.73 116.67 100.32 3k1q s ASP 776 Ca -0.11 -0.27 -0.06 0.00 0.18 0.00 0.00 52.55 52.29 3k1q s ASP 776 Cb 0.08 0.42 0.07 0.00 1.07 0.00 0.00 42.92 44.56 3k1q s ASP 776 CO 0.89 -0.76 0.18 -0.69 1.18 0.00 0.00 175.17 175.97 3k1q s VAL 777 N -3.14 3.79 -0.01 -1.27 1.01 -0.46 -4.96 120.40 115.36 3k1q s VAL 777 Ca 0.10 -1.44 -0.30 0.00 0.00 0.00 0.00 61.98 60.35 3k1q s VAL 777 Cb -0.01 -3.31 -0.08 0.00 0.00 0.00 0.00 36.38 32.99 3k1q s VAL 777 CO -0.01 -0.40 1.96 -2.16 0.00 0.00 0.00 175.10 174.48 3k1q s PRO 778 N 1.35 4.00 -0.55 2.72 0.04 -1.26 -1.77 135.00 139.53 3k1q s PRO 778 Ca 0.02 2.46 -0.26 0.00 0.04 0.00 0.00 61.00 63.26 3k1q s PRO 778 Cb -0.22 -4.17 -0.05 0.00 0.04 0.00 0.00 34.50 30.11 3k1q s PRO 778 CO 0.01 -1.11 2.18 -1.64 0.04 0.00 0.00 177.00 176.48 3k1q s MET 779 N 4.67 2.30 0.51 4.56 -1.94 -0.46 -4.72 119.30 124.23 3k1q s MET 779 Ca 0.88 1.05 -0.21 0.00 -1.71 0.00 0.00 55.69 55.70 3k1q s MET 779 Cb -0.40 -4.51 -0.08 0.00 2.01 0.00 0.00 34.83 31.85 3k1q s MET 779 CO 0.39 -3.08 0.93 1.47 -0.01 0.00 0.00 175.02 174.72 3k1q n LEU 780 N 14.67 2.83 -4.56 -0.03 -0.00 -1.26 -2.54 117.00 126.12 3k1q n LEU 780 Ca 0.30 0.91 -0.41 0.00 -0.00 0.00 0.00 56.01 56.81 3k1q n LEU 780 Cb 0.54 -1.35 -0.04 0.00 -0.00 0.00 0.00 43.42 42.57 3k1q n LEU 780 CO 0.71 -1.82 1.93 0.00 -0.00 0.00 0.00 177.39 178.21 3k1q n ILE 781 N -1.13 0.15 -0.03 1.47 0.13 0.90 -4.67 119.36 116.17 3k1q n ILE 781 Ca 0.11 -0.55 0.23 0.00 -1.10 0.00 0.00 62.75 61.44 3k1q n ILE 781 Cb 0.43 -2.46 0.58 0.00 -0.84 0.00 0.00 39.64 37.35 3k1q n ILE 781 CO 0.00 0.00 0.00 0.71 2.80 0.00 0.00 176.55 180.06 3k1q h THR 782 N 7.40 0.16 -0.03 9.51 1.35 -1.88 -2.70 112.91 126.72 3k1q h THR 782 Ca -0.31 0.00 -0.09 0.00 -0.55 0.00 0.00 66.41 65.45 3k1q h THR 782 Cb 1.26 0.33 -0.01 0.00 -1.73 0.00 0.00 68.15 68.00 3k1q h THR 782 CO 1.06 0.00 -0.41 0.71 -0.25 0.00 0.00 175.52 176.63 3k1q h THR 783 N 0.00 1.30 -0.65 6.82 1.35 -1.89 -2.47 112.91 117.38 3k1q h THR 783 Ca 0.32 -1.45 -0.08 0.00 -0.55 0.00 0.00 66.41 64.64 3k1q h THR 783 Cb 1.97 1.75 -0.03 0.00 -1.73 0.00 0.00 68.15 70.11 3k1q h THR 783 CO -0.00 0.42 0.07 0.71 -0.25 0.00 0.00 175.52 176.47 3k1q h THR 784 N 0.05 1.26 -0.41 6.82 1.35 -1.88 -1.56 112.91 118.54 3k1q h THR 784 Ca 0.00 -1.07 -0.08 0.00 -0.55 0.00 0.00 66.41 64.71 3k1q h THR 784 Cb 0.76 0.68 -0.01 0.00 -1.73 0.00 0.00 68.15 67.84 3k1q h THR 784 CO 0.06 0.40 -0.07 -0.07 -0.25 0.00 0.00 175.52 175.59 3k1q h LEU 785 N 1.01 0.77 -0.83 3.87 3.38 -1.69 -3.37 115.31 118.45 3k1q h LEU 785 Ca 0.19 -0.35 -0.07 0.00 0.09 0.00 0.00 57.88 57.75 3k1q h LEU 785 Cb 0.48 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 3k1q h LEU 785 CO 0.02 0.94 0.11 0.58 0.09 0.00 0.00 178.44 180.18 3k1q h VAL 786 N 0.59 1.25 -1.48 1.22 2.07 -1.14 -3.10 116.25 115.66 3k1q h VAL 786 Ca 0.11 -0.96 0.43 0.00 0.82 0.00 0.00 66.70 67.10 3k1q h VAL 786 Cb 0.58 0.66 -0.06 0.00 -1.52 0.00 0.00 31.29 30.95 3k1q h VAL 786 CO 0.03 0.36 1.13 1.41 0.02 0.00 0.00 177.57 180.52 3k1q n HIS 787 N -4.23 0.00 -2.83 1.57 8.25 -0.62 -4.08 115.22 113.28 3k1q n HIS 787 Ca 0.04 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.07 3k1q n HIS 787 Cb 0.27 -0.37 -0.03 0.00 1.12 0.00 0.00 29.99 30.98 3k1q n HIS 787 CO 0.00 0.00 0.00 1.14 0.64 0.00 0.00 176.34 178.12 3k1q s GLN 788 N -4.41 3.62 0.00 -0.41 -2.07 -1.18 -4.87 119.66 110.34 3k1q s GLN 788 Ca -0.04 -1.63 0.07 0.00 -1.82 0.00 0.00 55.36 51.94 3k1q s GLN 788 Cb 0.20 -5.04 0.34 0.00 -1.09 0.00 0.00 33.01 27.42 3k1q s GLN 788 CO 0.67 -1.89 1.23 0.54 -1.32 0.00 0.00 175.29 174.52 3k1q n ARG 789 N 7.14 1.16 0.00 9.60 1.74 -1.26 -4.89 116.66 130.15 3k1q n ARG 789 Ca 0.27 -0.24 0.00 0.00 -0.77 0.00 0.00 57.85 57.11 3k1q n ARG 789 Cb 0.49 -1.13 0.00 0.00 -1.02 0.00 0.00 32.46 30.81 3k1q n ARG 789 CO 0.00 0.00 0.00 2.89 -1.52 0.00 0.00 177.63 179.00 3k1q n ARG 790 N -0.37 2.97 -3.81 5.56 -4.01 -1.26 -3.32 116.66 112.43 3k1q n ARG 790 Ca 0.06 0.00 -0.36 0.00 -1.04 0.00 0.00 57.85 56.50 3k1q n ARG 790 Cb 0.08 0.00 -0.13 0.00 -3.04 0.00 0.00 32.46 29.37 3k1q n ARG 790 CO 0.00 0.00 0.00 -0.06 -3.04 0.00 0.00 177.63 174.53 3k1q s PHE 791 N 0.98 3.08 -0.14 2.89 0.08 -1.26 -4.82 117.98 118.79 3k1q s PHE 791 Ca 0.00 -0.83 -0.01 0.00 0.12 0.00 0.00 56.93 56.21 3k1q s PHE 791 Cb 0.00 -2.20 -0.02 0.00 -0.57 0.00 0.00 43.02 40.23 3k1q s PHE 791 CO 0.00 -0.51 -0.12 0.95 -0.10 0.00 0.00 175.22 175.44 3k1q s THR 792 N 1.52 3.13 0.65 0.64 -4.23 0.13 -1.40 115.64 116.09 3k1q s THR 792 Ca 0.04 -0.63 -0.16 0.00 -1.18 0.00 0.00 61.69 59.77 3k1q s THR 792 Cb -0.16 -2.33 -0.01 0.00 1.34 0.00 0.00 72.50 71.35 3k1q s THR 792 CO 0.01 0.52 1.13 0.42 -0.54 0.00 0.00 174.62 176.15 3k1q s THR 793 N 0.42 3.10 0.60 3.99 -4.23 -0.78 -2.85 115.64 115.89 3k1q s THR 793 Ca -0.09 0.55 -0.17 0.00 -1.18 0.00 0.00 61.69 60.79 3k1q s THR 793 Cb -0.16 -3.09 -0.03 0.00 1.34 0.00 0.00 72.50 70.57 3k1q s THR 793 CO 0.05 -0.28 1.11 -2.16 -0.54 0.00 0.00 174.62 172.80 3k1q s PRO 794 N -3.91 3.08 0.49 3.99 0.04 -1.26 -3.76 135.00 133.67 3k1q s PRO 794 Ca 0.69 1.47 -0.21 0.00 0.04 0.00 0.00 61.00 63.00 3k1q s PRO 794 Cb -0.22 -1.98 -0.08 0.00 0.04 0.00 0.00 34.50 32.26 3k1q s PRO 794 CO 0.39 -1.04 1.08 -1.25 0.04 0.00 0.00 177.00 176.21 3k1q s PRO 795 N -3.74 3.70 0.52 0.56 0.04 -1.26 -4.51 135.00 130.32 3k1q s PRO 795 Ca 0.69 1.48 0.34 0.00 0.04 0.00 0.00 61.00 63.56 3k1q s PRO 795 Cb -0.22 -2.14 1.61 0.00 0.04 0.00 0.00 34.50 33.80 3k1q s PRO 795 CO 0.35 -0.53 2.03 1.79 0.04 0.00 0.00 177.00 180.67 3k1q h THR 796 N 1.54 0.00 -4.74 1.26 1.35 -2.02 -3.50 112.91 106.80 3k1q h THR 796 Ca -0.50 -0.27 0.01 0.00 -0.55 0.00 0.00 66.41 65.10 3k1q h THR 796 Cb 1.23 1.18 -0.07 0.00 -1.73 0.00 0.00 68.15 68.76 3k1q h THR 796 CO 0.59 0.00 -1.17 0.49 -0.25 0.00 0.00 175.52 175.18 3k1q n PHE 797 N -2.88 -3.69 -3.71 4.73 3.01 -1.26 -4.94 117.46 108.72 3k1q n PHE 797 Ca -0.00 1.96 -0.16 0.00 1.01 0.00 0.00 57.45 60.25 3k1q n PHE 797 Cb 0.20 -3.62 -0.16 0.00 -0.01 0.00 0.00 39.48 35.90 3k1q n PHE 797 CO 0.00 0.00 0.00 -0.08 1.01 0.00 0.00 176.76 177.69 3k1q s THR 798 N -0.90 -0.14 0.07 4.37 -1.32 -1.26 -3.67 115.64 112.78 3k1q s THR 798 Ca -0.15 0.28 -0.29 0.00 -1.21 0.00 0.00 61.69 60.32 3k1q s THR 798 Cb 0.01 -0.23 -0.18 0.00 -1.51 0.00 0.00 72.50 70.60 3k1q s THR 798 CO 0.68 0.12 1.64 0.25 -2.21 0.00 0.00 174.62 175.09 3k1q h LEU 799 N 7.83 -0.49-10.24 9.08 5.85 -1.16 -3.47 115.31 122.71 3k1q h LEU 799 Ca -0.28 0.00 -0.47 0.00 0.84 0.00 0.00 57.88 57.97 3k1q h LEU 799 Cb 1.13 0.13 0.01 0.00 0.37 0.00 0.00 40.66 42.29 3k1q h LEU 799 CO 0.29 -0.33 -0.20 -0.36 -0.34 0.00 0.00 178.44 177.50 3k1q s PHE 800 N -6.00 3.48 0.00 1.25 0.40 -0.19 -4.75 117.98 112.17 3k1q s PHE 800 Ca -0.16 0.32 0.00 0.00 -0.60 0.00 0.00 56.93 56.49 3k1q s PHE 800 Cb 0.04 -1.91 0.00 0.00 0.51 0.00 0.00 43.02 41.66 3k1q s PHE 800 CO 0.63 0.10 0.00 -1.13 0.70 0.00 0.00 175.22 175.52 3k1q n SER 801 N -1.79 0.00 0.00 1.36 3.41 -1.07 -4.83 113.62 110.71 3k1q n SER 801 Ca -0.04 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.57 3k1q n SER 801 Cb 0.56 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.51 3k1q n SER 801 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3k1q n SER 802 N 0.00 0.00 -3.61 4.04 3.41 -1.26 -4.89 113.62 111.31 3k1q n SER 802 Ca 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 58.87 58.55 3k1q n SER 802 Cb 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 63.93 3k1q n SER 802 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 3k1q s GLU 803 N -0.41 0.98 -0.51 4.33 4.04 -1.25 -4.71 118.70 121.17 3k1q s GLU 803 Ca 0.00 -0.45 -0.16 0.00 0.04 0.00 0.00 54.97 54.40 3k1q s GLU 803 Cb 0.00 0.39 0.10 0.00 0.02 0.00 0.00 34.13 34.64 3k1q s GLU 803 CO 0.00 -0.44 0.47 0.00 -1.84 0.00 0.00 175.26 173.45 3k1q s ALA 804 N -3.19 3.58 0.03 -0.84 0.00 -0.77 -4.86 121.76 115.72 3k1q s ALA 804 Ca 0.08 -2.28 -0.30 0.00 0.00 0.00 0.00 51.96 49.46 3k1q s ALA 804 Cb -0.01 -3.19 -0.08 0.00 0.00 0.00 0.00 23.12 19.84 3k1q s ALA 804 CO -0.04 -1.90 1.81 0.08 0.00 0.00 0.00 175.76 175.71 3k1q s VAL 805 N 1.73 3.09 0.03 0.00 1.01 -1.26 -4.80 120.40 120.20 3k1q s VAL 805 Ca 0.05 0.28 -0.07 0.00 0.00 0.00 0.00 61.98 62.24 3k1q s VAL 805 Cb -0.26 -3.18 -0.02 0.00 0.00 0.00 0.00 36.38 32.92 3k1q s VAL 805 CO 0.05 -0.02 1.12 -0.65 0.00 0.00 0.00 175.10 175.60 3k1q h PRO 806 N 9.62 -0.01 -0.85 2.72 0.11 -1.96 -2.37 132.00 139.27 3k1q h PRO 806 Ca -0.45 0.00 0.15 0.00 0.11 0.00 0.00 66.00 65.81 3k1q h PRO 806 Cb 1.21 0.00 -0.15 0.00 0.11 0.00 0.00 31.00 32.17 3k1q h PRO 806 CO 0.94 -0.00 -0.27 1.33 -0.21 0.00 0.00 178.00 179.79 3k1q n VAL 807 N -3.47 -0.40 -0.22 3.15 0.24 -1.26 -2.25 118.33 114.12 3k1q n VAL 807 Ca 0.00 1.97 -0.06 0.00 -2.04 0.00 0.00 64.34 64.21 3k1q n VAL 807 Cb 0.06 -2.67 0.04 0.00 -1.47 0.00 0.00 33.84 29.80 3k1q n VAL 807 CO 0.00 0.00 0.00 0.71 -2.14 0.00 0.00 176.83 175.40 3k1q h THR 808 N 0.00 1.19 -0.71 3.34 1.35 -1.94 -1.81 112.91 114.34 3k1q h THR 808 Ca 0.35 -0.44 0.13 0.00 -0.55 0.00 0.00 66.41 65.91 3k1q h THR 808 Cb 0.57 0.35 -0.13 0.00 -1.73 0.00 0.00 68.15 67.21 3k1q h THR 808 CO -0.86 0.20 -0.28 0.71 -0.25 0.00 0.00 175.52 175.04 3k1q h THR 809 N 0.84 0.18 -0.50 6.82 1.35 -0.97 -0.52 112.91 120.11 3k1q h THR 809 Ca 0.22 0.00 -0.08 0.00 -0.55 0.00 0.00 66.41 66.01 3k1q h THR 809 Cb -0.00 0.18 -0.02 0.00 -1.73 0.00 0.00 68.15 66.58 3k1q h THR 809 CO -0.04 0.00 0.01 -0.07 -0.25 0.00 0.00 175.52 175.17 3k1q h LEU 810 N -0.08 0.80 0.24 3.87 3.38 -1.03 -0.88 115.31 121.61 3k1q h LEU 810 Ca 0.30 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 3k1q h LEU 810 Cb 0.56 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.10 3k1q h LEU 810 CO -0.76 0.86 -0.12 0.58 0.09 0.00 0.00 178.44 179.10 3k1q h VAL 811 N 0.77 0.78 -1.11 1.22 2.07 -0.97 -2.65 116.25 116.36 3k1q h VAL 811 Ca 0.15 -0.77 0.38 0.00 0.82 0.00 0.00 66.70 67.28 3k1q h VAL 811 Cb 0.46 1.18 -0.15 0.00 -1.52 0.00 0.00 31.29 31.26 3k1q h VAL 811 CO 0.02 0.15 0.66 0.00 0.02 0.00 0.00 177.57 178.42 3k1q h ALA 812 N -0.18 2.28 -0.90 1.67 0.00 -1.06 -1.51 119.26 119.56 3k1q h ALA 812 Ca -0.03 0.18 0.01 0.00 0.00 0.00 0.00 54.91 55.07 3k1q h ALA 812 Cb 0.50 0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.46 3k1q h ALA 812 CO 0.05 -0.93 0.60 0.00 0.00 0.00 0.00 179.25 178.97 3k1q h ALA 813 N 1.80 1.35 -0.34 0.00 0.00 -1.03 0.05 119.26 121.10 3k1q h ALA 813 Ca 0.79 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.62 3k1q h ALA 813 Cb 2.11 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 19.52 3k1q h ALA 813 CO -0.58 0.60 0.15 0.78 0.00 0.00 0.00 179.25 180.21 3k1q h GLY 814 N 1.23 0.54 0.55 0.00 0.00 -1.06 -2.13 103.07 102.19 3k1q h GLY 814 Ca 0.33 -0.28 0.08 0.00 0.00 0.00 0.00 47.33 47.46 3k1q h GLY 814 CO -0.07 0.26 0.37 -0.97 0.00 0.00 0.00 176.54 176.13 3k1q h TYR 815 N 0.41 0.67 -0.24 5.60 0.05 -1.15 -1.51 116.97 120.80 3k1q h TYR 815 Ca 0.12 0.03 0.05 0.00 0.05 0.00 0.00 58.73 58.97 3k1q h TYR 815 Cb 0.15 -0.19 -0.05 0.00 1.01 0.00 0.00 36.73 37.64 3k1q h TYR 815 CO -0.01 0.27 -0.08 -0.97 -1.05 0.00 0.00 178.16 176.32 3k1q h ASN 816 N 0.65 -0.29 -0.66 3.88 -0.73 -0.83 -2.40 115.58 115.20 3k1q h ASN 816 Ca 0.34 0.08 0.12 0.00 1.87 0.00 0.00 56.30 58.70 3k1q h ASN 816 Cb 0.30 0.18 -0.08 0.00 0.27 0.00 0.00 38.32 38.99 3k1q h ASN 816 CO -0.24 -0.11 0.22 -1.28 -0.37 0.00 0.00 177.43 175.65 3k1q h SER 817 N -0.04 0.17 0.18 1.15 0.87 -0.94 -1.20 113.55 113.75 3k1q h SER 817 Ca 0.12 0.10 0.01 0.00 -1.23 0.00 0.00 61.79 60.79 3k1q h SER 817 Cb 0.22 0.10 -0.04 0.00 -0.44 0.00 0.00 62.40 62.24 3k1q h SER 817 CO -0.27 0.08 -0.51 0.15 -0.53 0.00 0.00 176.83 175.75 3k1q h PHE 818 N 0.37 -1.48 -0.55 2.24 3.57 -0.81 0.59 116.94 120.87 3k1q h PHE 818 Ca 0.35 0.03 0.11 0.00 3.53 0.00 0.00 57.97 61.99 3k1q h PHE 818 Cb 0.49 0.62 -0.11 0.00 2.79 0.00 0.00 35.95 39.74 3k1q h PHE 818 CO -0.19 -0.60 -0.21 0.82 -2.23 0.00 0.00 178.31 175.90 3k1q h ILE 819 N -0.78 0.34 0.00 1.41 2.04 -1.03 -1.89 117.51 117.59 3k1q h ILE 819 Ca -0.02 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.84 3k1q h ILE 819 Cb 0.76 0.34 0.00 0.00 -0.74 0.00 0.00 36.82 37.18 3k1q h ILE 819 CO -0.24 0.00 -0.25 -1.54 0.00 0.00 0.00 178.15 176.11 3k1q n SER 820 N -5.42 0.62 -2.73 1.72 3.41 -0.49 -3.63 113.62 107.09 3k1q n SER 820 Ca 0.05 0.33 -0.37 0.00 -0.26 0.00 0.00 58.87 58.63 3k1q n SER 820 Cb 0.32 -0.33 0.04 0.00 -0.26 0.00 0.00 64.21 63.98 3k1q n SER 820 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3k1q n GLU 821 N -2.01 2.88 -2.54 4.33 4.71 0.18 -4.17 120.64 124.01 3k1q n GLU 821 Ca 0.05 -3.66 -0.43 0.00 -0.01 0.00 0.00 57.16 53.11 3k1q n GLU 821 Cb 0.41 -2.27 -0.02 0.00 -1.01 0.00 0.00 31.44 28.55 3k1q n GLU 821 CO 0.00 0.00 0.00 -0.65 0.09 0.00 0.00 177.13 176.57 3k1q s GLN 822 N -3.94 3.66 2.69 3.49 -1.52 -1.23 -4.80 119.66 118.01 3k1q s GLN 822 Ca 0.53 0.60 0.00 0.00 -1.95 0.00 0.00 55.36 54.54 3k1q s GLN 822 Cb 0.44 -3.95 0.00 0.00 -0.22 0.00 0.00 33.01 29.28 3k1q s GLN 822 CO -0.30 -1.47 0.00 0.25 -0.25 0.00 0.00 175.29 173.51 3k1q n THR 823 N 6.89 0.00 -3.36 -0.19 -2.24 -1.26 -2.40 114.28 111.72 3k1q n THR 823 Ca 0.13 0.00 -0.26 0.00 -2.27 0.00 0.00 64.05 61.65 3k1q n THR 823 Cb 0.49 0.00 -0.09 0.00 -2.10 0.00 0.00 70.33 68.63 3k1q n THR 823 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3k1q n ARG 824 N 0.00 0.94 -2.20 -0.78 1.74 -1.26 -4.94 116.66 110.16 3k1q n ARG 824 Ca 0.00 -3.56 0.00 0.00 -0.77 0.00 0.00 57.85 53.52 3k1q n ARG 824 Cb 0.00 -1.62 0.00 0.00 -1.02 0.00 0.00 32.46 29.82 3k1q n ARG 824 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3k1q n ASN 825 N 1.82 -5.89 -0.90 0.55 3.02 -1.03 -4.24 115.26 108.59 3k1q n ASN 825 Ca 0.25 1.53 0.00 0.00 -0.03 0.00 0.00 54.58 56.33 3k1q n ASN 825 Cb 0.48 -3.80 0.00 0.00 -0.61 0.00 0.00 39.78 35.85 3k1q n ASN 825 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 3k1q n PRO 826 N 1.91 -0.08 -0.69 3.52 -0.02 -1.12 -4.85 135.00 133.67 3k1q n PRO 826 Ca 0.00 -0.04 0.02 0.00 -2.02 0.00 0.00 63.50 61.46 3k1q n PRO 826 Cb 0.00 0.08 0.20 0.00 -0.02 0.00 0.00 33.50 33.76 3k1q n PRO 826 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 3k1q n ASN 827 N 0.19 2.00 -1.82 2.55 2.85 -1.01 -4.93 115.26 115.10 3k1q n ASN 827 Ca 0.00 -3.87 0.00 0.00 -0.11 0.00 0.00 54.58 50.60 3k1q n ASN 827 Cb 0.00 -0.57 0.00 0.00 1.24 0.00 0.00 39.78 40.45 3k1q n ASN 827 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 3k1q n LEU 828 N -1.12 -6.28 -3.71 1.20 4.32 -1.26 -4.64 117.00 105.50 3k1q n LEU 828 Ca 0.24 3.15 -0.18 0.00 -0.02 0.00 0.00 56.01 59.21 3k1q n LEU 828 Cb 0.81 -3.01 -0.17 0.00 -1.62 0.00 0.00 43.42 39.43 3k1q n LEU 828 CO 0.04 -0.70 -0.33 0.00 -1.22 0.00 0.00 177.39 175.18 3k1q s ALA 829 N -1.86 0.12 -0.53 -1.18 0.00 -1.26 -4.74 121.76 112.31 3k1q s ALA 829 Ca 0.00 0.28 -0.23 0.00 0.00 0.00 0.00 51.96 52.02 3k1q s ALA 829 Cb 0.00 -0.48 0.05 0.00 0.00 0.00 0.00 23.12 22.69 3k1q s ALA 829 CO 0.00 -0.33 0.85 -1.58 0.00 0.00 0.00 175.76 174.70 3k1q s HIS 830 N 1.70 2.87 0.32 0.00 2.46 -1.25 -2.79 115.29 118.60 3k1q s HIS 830 Ca -0.01 -0.15 0.04 0.00 0.47 0.00 0.00 55.06 55.40 3k1q s HIS 830 Cb -0.12 -3.90 -0.06 0.00 -0.13 0.00 0.00 32.58 28.36 3k1q s HIS 830 CO -0.03 -1.24 0.06 -0.48 -2.47 0.00 0.00 174.74 170.57 3k1q s LEU 831 N 3.55 2.14 0.03 8.88 2.34 -0.44 0.49 118.68 135.67 3k1q s LEU 831 Ca 0.26 -1.39 0.05 0.00 0.06 0.00 0.00 54.13 53.11 3k1q s LEU 831 Cb -0.14 -0.35 -0.03 0.00 -0.56 0.00 0.00 46.19 45.10 3k1q s LEU 831 CO 0.17 -0.63 -0.10 -0.22 -1.06 0.00 0.00 176.35 174.52 3k1q s LEU 832 N -3.48 3.00 -0.31 1.48 2.96 0.11 0.11 118.68 122.56 3k1q s LEU 832 Ca 0.36 -0.26 -0.13 0.00 -0.22 0.00 0.00 54.13 53.88 3k1q s LEU 832 Cb 0.09 -1.75 -0.03 0.00 0.50 0.00 0.00 46.19 44.99 3k1q s LEU 832 CO 0.15 0.25 0.27 -0.62 -1.32 0.00 0.00 176.35 175.09 3k1q s ASP 833 N -1.59 6.10 -0.69 3.68 2.15 0.47 -1.47 116.67 125.33 3k1q s ASP 833 Ca 0.17 -0.16 -0.16 0.00 0.43 0.00 0.00 52.55 52.83 3k1q s ASP 833 Cb -0.11 -2.16 0.16 0.00 -0.30 0.00 0.00 42.92 40.51 3k1q s ASP 833 CO 0.08 -0.20 0.70 -0.76 -0.17 0.00 0.00 175.17 174.82 3k1q s LEU 834 N 1.85 6.16 0.00 -1.34 1.43 -0.43 -1.68 118.68 124.67 3k1q s LEU 834 Ca 0.09 -2.09 0.00 0.00 -1.03 0.00 0.00 54.13 51.10 3k1q s LEU 834 Cb -0.17 -2.24 0.00 0.00 0.03 0.00 0.00 46.19 43.81 3k1q s LEU 834 CO 0.11 -0.82 0.00 0.61 0.23 0.00 0.00 176.35 176.48 3k1q n GLY 835 N 4.78 0.67 3.56 -3.19 0.00 -1.15 -4.54 105.19 105.32 3k1q n GLY 835 Ca 0.01 -0.34 -0.38 0.00 0.00 0.00 0.00 46.02 45.31 3k1q n GLY 835 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3k1q s THR 836 N -1.38 3.14 0.32 2.61 2.01 -0.49 -4.96 115.64 116.88 3k1q s THR 836 Ca 0.00 0.09 -0.28 0.00 0.31 0.00 0.00 61.69 61.81 3k1q s THR 836 Cb 0.00 -3.33 -0.13 0.00 0.01 0.00 0.00 72.50 69.04 3k1q s THR 836 CO 0.00 -0.31 1.08 0.61 -0.69 0.00 0.00 174.62 175.30 3k1q n GLY 837 N 5.87 -0.05 0.34 4.40 0.00 -1.26 -4.63 105.19 109.86 3k1q n GLY 837 Ca 0.31 0.30 0.17 0.00 0.00 0.00 0.00 46.02 46.80 3k1q n GLY 837 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3k1q h PRO 838 N 2.08 0.56 0.00 1.61 0.13 -1.93 0.13 132.00 134.58 3k1q h PRO 838 Ca -0.42 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 3k1q h PRO 838 Cb 1.33 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.33 3k1q h PRO 838 CO 0.61 0.37 0.00 1.05 -0.23 0.00 0.00 178.00 179.80 3k1q h GLU 839 N 0.58 0.00 -4.93 0.86 9.09 -1.87 -3.46 114.58 114.85 3k1q h GLU 839 Ca 0.64 0.00 -0.38 0.00 0.05 0.00 0.00 59.36 59.67 3k1q h GLU 839 Cb 1.20 0.00 0.10 0.00 -1.65 0.00 0.00 28.75 28.39 3k1q h GLU 839 CO -0.48 0.00 -0.60 0.00 0.05 0.00 0.00 179.01 177.98 3k1q h ARG 841 N -1.99 0.00 -1.14 0.00 2.47 -1.90 0.11 114.38 111.93 3k1q h ARG 841 Ca -0.52 0.00 0.40 0.00 -1.26 0.00 0.00 59.98 58.61 3k1q h ARG 841 Cb 1.34 0.00 -0.15 0.00 -1.65 0.00 0.00 29.97 29.51 3k1q h ARG 841 CO 0.53 0.00 0.69 0.97 0.56 0.00 0.00 179.97 182.71 3k1q h ILE 842 N 0.00 0.12 -0.10 2.04 6.09 -1.94 -2.41 117.51 121.30 3k1q h ILE 842 Ca 0.49 -0.04 -0.12 0.00 -1.37 0.00 0.00 64.86 63.82 3k1q h ILE 842 Cb 2.20 -0.00 -0.01 0.00 0.47 0.00 0.00 36.82 39.48 3k1q h ILE 842 CO -0.01 0.02 -0.45 -0.07 -3.07 0.00 0.00 178.15 174.57 3k1q h LEU 843 N 0.11 0.26 -0.85 2.19 3.38 -1.11 0.15 115.31 119.44 3k1q h LEU 843 Ca 0.81 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.66 3k1q h LEU 843 Cb 2.27 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.94 3k1q h LEU 843 CO -0.58 0.69 0.00 -0.24 0.09 0.00 0.00 178.44 178.40 3k1q n SER 844 N -3.99 0.66 -0.10 -0.43 2.88 -0.92 -4.06 113.62 107.66 3k1q n SER 844 Ca -0.02 0.69 -0.11 0.00 -1.33 0.00 0.00 58.87 58.10 3k1q n SER 844 Cb 0.51 -0.82 -0.14 0.00 -0.75 0.00 0.00 64.21 63.02 3k1q n SER 844 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 3k1q n LEU 845 N -2.25 0.74 -4.69 2.46 4.77 0.32 -4.76 117.00 113.58 3k1q n LEU 845 Ca 0.01 -0.03 -0.42 0.00 -0.03 0.00 0.00 56.01 55.54 3k1q n LEU 845 Cb 0.19 0.14 -0.03 0.00 -2.33 0.00 0.00 43.42 41.39 3k1q n LEU 845 CO 0.18 0.56 1.00 0.27 -1.33 0.00 0.00 177.39 178.07 3k1q s ILE 846 N -2.45 3.98 0.21 -0.08 -5.25 -0.10 -4.62 121.20 112.89 3k1q s ILE 846 Ca -0.15 1.36 -0.32 0.00 -0.99 0.00 0.00 60.65 60.56 3k1q s ILE 846 Cb 0.06 -3.87 -0.14 0.00 2.95 0.00 0.00 42.46 41.46 3k1q s ILE 846 CO 0.70 0.03 1.34 -2.65 -1.79 0.00 0.00 174.94 172.57 3k1q n PRO 847 N 4.90 1.76 -0.33 0.37 -0.02 -1.26 -4.85 135.00 135.57 3k1q n PRO 847 Ca 0.11 0.63 0.35 0.00 -2.02 0.00 0.00 63.50 62.57 3k1q n PRO 847 Cb 0.45 -2.24 0.66 0.00 -0.02 0.00 0.00 33.50 32.35 3k1q n PRO 847 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 3k1q h PRO 848 N 4.02 0.00 0.00 0.52 0.13 -1.87 0.34 132.00 135.14 3k1q h PRO 848 Ca -0.44 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.61 3k1q h PRO 848 Cb 1.30 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.42 3k1q h PRO 848 CO 0.74 0.00 -0.37 1.79 -0.23 0.00 0.00 178.00 179.94 3k1q h THR 849 N 0.00 1.24 -4.07 1.56 1.35 -1.95 -3.45 112.91 107.58 3k1q h THR 849 Ca 0.59 -1.27 -0.55 0.00 -0.55 0.00 0.00 66.41 64.63 3k1q h THR 849 Cb 2.76 1.69 0.14 0.00 -1.73 0.00 0.00 68.15 71.01 3k1q h THR 849 CO -0.01 0.36 0.57 -0.76 -0.25 0.00 0.00 175.52 175.43 3k1q s LEU 850 N -8.13 3.74 -0.53 3.87 1.02 0.12 -4.93 118.68 113.85 3k1q s LEU 850 Ca -0.03 2.71 -0.09 0.00 0.02 0.00 0.00 54.13 56.74 3k1q s LEU 850 Cb 0.14 -4.41 0.13 0.00 0.02 0.00 0.00 46.19 42.07 3k1q s LEU 850 CO 0.72 -1.75 0.40 0.00 0.02 0.00 0.00 176.35 175.75 3k1q s GLN 851 N -3.10 2.62 0.10 1.70 0.00 -1.12 -4.53 119.66 115.33 3k1q s GLN 851 Ca 0.76 -1.91 0.10 0.00 -0.00 0.00 0.00 55.36 54.31 3k1q s GLN 851 Cb -0.39 -3.98 -0.04 0.00 0.00 0.00 0.00 33.01 28.60 3k1q s GLN 851 CO 0.44 -1.21 -0.24 0.08 0.00 0.00 0.00 175.29 174.36 3k1q s VAL 852 N 1.12 2.43 -0.08 3.63 1.01 -0.62 -1.33 120.40 126.56 3k1q s VAL 852 Ca 0.08 -1.58 -0.01 0.00 0.00 0.00 0.00 61.98 60.47 3k1q s VAL 852 Cb -0.24 -2.06 -0.03 0.00 0.00 0.00 0.00 36.38 34.05 3k1q s VAL 852 CO -0.02 0.16 -0.03 -0.89 0.00 0.00 0.00 175.10 174.33 3k1q s THR 853 N -1.02 4.03 -0.32 3.92 2.01 0.31 -1.49 115.64 123.08 3k1q s THR 853 Ca 0.15 -0.36 -0.01 0.00 0.31 0.00 0.00 61.69 61.77 3k1q s THR 853 Cb -0.10 -2.67 0.11 0.00 0.01 0.00 0.00 72.50 69.84 3k1q s THR 853 CO 0.06 0.60 0.13 -0.04 -0.69 0.00 0.00 174.62 174.68 3k1q s MET 854 N -0.86 0.61 -1.03 4.92 -1.94 -0.06 -0.39 119.30 120.55 3k1q s MET 854 Ca 0.13 -1.03 -0.23 0.00 -1.71 0.00 0.00 55.69 52.85 3k1q s MET 854 Cb -0.11 -1.75 0.01 0.00 2.01 0.00 0.00 34.83 34.99 3k1q s MET 854 CO 0.02 -1.03 1.69 0.45 -0.01 0.00 0.00 175.02 176.14 3k1q s SER 855 N 1.59 5.97 -0.98 3.03 0.15 -0.68 0.23 113.70 123.02 3k1q s SER 855 Ca 0.11 -1.34 -0.15 0.00 0.70 0.00 0.00 55.95 55.27 3k1q s SER 855 Cb -0.18 -2.57 0.19 0.00 -1.71 0.00 0.00 66.02 61.75 3k1q s SER 855 CO -0.24 -2.01 1.07 -0.62 1.20 0.00 0.00 173.24 172.63 3k1q s ASP 856 N 6.02 6.87 0.18 5.45 -1.08 -1.10 -1.40 116.67 131.61 3k1q s ASP 856 Ca 0.57 -2.67 -0.17 0.00 -0.52 0.00 0.00 52.55 49.76 3k1q s ASP 856 Cb -0.02 -2.31 0.15 0.00 -1.46 0.00 0.00 42.92 39.28 3k1q s ASP 856 CO -0.03 -0.73 1.64 0.28 0.52 0.00 0.00 175.17 176.85 3k1q h SER 857 N 7.85 -0.59 -3.87 -0.34 0.02 -1.81 -2.76 113.55 112.05 3k1q h SER 857 Ca 0.17 0.16 -0.51 0.00 -0.84 0.00 0.00 61.79 60.78 3k1q h SER 857 Cb 0.98 0.35 0.04 0.00 0.14 0.00 0.00 62.40 63.91 3k1q h SER 857 CO 1.00 -0.20 0.53 -0.13 -1.14 0.00 0.00 176.83 176.89 3k1q s ARG 858 N -6.19 4.39 -0.58 3.45 3.00 -1.26 -3.73 118.95 118.03 3k1q s ARG 858 Ca -0.14 1.92 -0.26 0.00 0.00 0.00 0.00 55.73 57.25 3k1q s ARG 858 Cb 0.16 -3.00 -0.06 0.00 0.00 0.00 0.00 34.95 32.06 3k1q s ARG 858 CO 0.71 -0.05 2.21 -1.25 0.00 0.00 0.00 175.30 176.92 3k1q s PRO 859 N -1.81 2.24 -0.15 3.54 0.04 -1.26 -4.90 135.00 132.70 3k1q s PRO 859 Ca 0.49 0.97 -0.07 0.00 0.04 0.00 0.00 61.00 62.44 3k1q s PRO 859 Cb -0.33 -4.57 -0.04 0.00 0.04 0.00 0.00 34.50 29.60 3k1q s PRO 859 CO 0.43 -3.22 0.09 0.00 0.04 0.00 0.00 177.00 174.34 3k1q n ALA 861 N 2.79 1.90 -2.10 0.00 0.00 -1.26 -4.91 120.51 116.93 3k1q n ALA 861 Ca -0.18 -0.21 -0.40 0.00 0.00 0.00 0.00 53.44 52.64 3k1q n ALA 861 Cb 0.53 0.32 -0.03 0.00 0.00 0.00 0.00 19.45 20.27 3k1q n ALA 861 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3k1q s GLU 862 N -2.09 2.94 -1.57 0.00 2.02 -1.26 -3.68 118.70 115.05 3k1q s GLU 862 Ca -0.05 0.79 -0.01 0.00 0.02 0.00 0.00 54.97 55.72 3k1q s GLU 862 Cb 0.01 -4.29 0.00 0.00 0.10 0.00 0.00 34.13 29.96 3k1q s GLU 862 CO 0.12 -2.35 0.10 -0.11 0.02 0.00 0.00 175.26 173.04 3k1q n LEU 863 N 11.50 -1.85 0.00 1.80 7.94 -1.26 -4.75 117.00 130.38 3k1q n LEU 863 Ca 0.19 -0.02 0.00 0.00 -1.11 0.00 0.00 56.01 55.08 3k1q n LEU 863 Cb 0.50 -2.74 0.00 0.00 0.53 0.00 0.00 43.42 41.71 3k1q n LEU 863 CO 0.70 -0.12 0.00 0.80 -1.11 0.00 0.00 177.39 177.66 3k1q n MET 864 N -3.13 0.00 0.06 1.96 1.56 -1.24 -4.74 117.12 111.58 3k1q n MET 864 Ca -0.20 0.00 0.12 0.00 -0.27 0.00 0.00 57.70 57.35 3k1q n MET 864 Cb 0.66 -0.02 0.19 0.00 2.15 0.00 0.00 33.22 36.19 3k1q n MET 864 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 3k1q n ALA 865 N -3.00 2.94 -0.18 -5.12 0.00 -1.26 -4.75 120.51 109.14 3k1q n ALA 865 Ca 0.00 -0.25 0.08 0.00 0.00 0.00 0.00 53.44 53.27 3k1q n ALA 865 Cb 0.00 -1.18 0.16 0.00 0.00 0.00 0.00 19.45 18.43 3k1q n ALA 865 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3k1q n SER 866 N -2.07 -0.06 -4.29 0.00 7.64 -1.26 -2.63 113.62 110.96 3k1q n SER 866 Ca 0.03 0.89 -0.44 0.00 1.01 0.00 0.00 58.87 60.36 3k1q n SER 866 Cb 0.43 -0.33 -0.02 0.00 -1.01 0.00 0.00 64.21 63.28 3k1q n SER 866 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 3k1q s PHE 867 N -5.35 3.94 0.36 1.43 0.40 -1.26 -4.96 117.98 112.54 3k1q s PHE 867 Ca -0.07 -2.45 0.10 0.00 -0.60 0.00 0.00 56.93 53.92 3k1q s PHE 867 Cb 0.15 -3.70 0.67 0.00 0.51 0.00 0.00 43.02 40.65 3k1q s PHE 867 CO 0.41 -0.93 1.82 -0.44 0.70 0.00 0.00 175.22 176.78 3k1q h ASP 868 N 7.08 0.13 0.00 1.36 5.19 -1.84 -3.43 116.42 124.91 3k1q h ASP 868 Ca 0.13 -0.04 0.00 0.00 -0.62 0.00 0.00 57.03 56.50 3k1q h ASP 868 Cb 0.94 -0.04 0.00 0.00 0.18 0.00 0.00 39.33 40.42 3k1q h ASP 868 CO 0.86 0.44 0.00 -2.65 -3.12 0.00 0.00 179.24 174.77 3k1q n PRO 869 N -4.13 0.00 -1.96 3.56 -0.02 -1.26 -2.95 135.00 128.23 3k1q n PRO 869 Ca -0.01 0.00 -0.40 0.00 -2.02 0.00 0.00 63.50 61.06 3k1q n PRO 869 Cb 0.38 0.00 -0.03 0.00 -0.02 0.00 0.00 33.50 33.84 3k1q n PRO 869 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3k1q s ALA 870 N 0.00 2.44 -0.78 3.55 0.00 -1.26 -4.80 121.76 120.91 3k1q s ALA 870 Ca 0.00 -0.14 -0.20 0.00 0.00 0.00 0.00 51.96 51.63 3k1q s ALA 870 Cb 0.00 -4.17 -0.20 0.00 0.00 0.00 0.00 23.12 18.75 3k1q s ALA 870 CO 0.00 -3.36 1.99 -0.11 0.00 0.00 0.00 175.76 174.28 3k1q n LEU 871 N 11.95 -0.16 -3.99 0.00 7.94 -1.15 -4.84 117.00 126.75 3k1q n LEU 871 Ca 0.23 -0.02 -0.32 0.00 -1.11 0.00 0.00 56.01 54.80 3k1q n LEU 871 Cb 0.50 -0.64 -0.10 0.00 0.53 0.00 0.00 43.42 43.71 3k1q n LEU 871 CO 0.70 -0.72 0.12 0.42 -1.11 0.00 0.00 177.39 176.80 3k1q s THR 872 N 5.10 3.50 -1.18 1.96 -4.23 -1.22 -1.59 115.64 117.99 3k1q s THR 872 Ca 1.06 -4.07 -0.16 0.00 -1.18 0.00 0.00 61.69 57.33 3k1q s THR 872 Cb -0.90 -3.24 0.13 0.00 1.34 0.00 0.00 72.50 69.83 3k1q s THR 872 CO 0.40 -1.03 1.47 0.00 -0.54 0.00 0.00 174.62 174.92 3k1q s ALA 873 N -1.37 3.64 -0.18 3.99 0.00 -0.56 -4.88 121.76 122.41 3k1q s ALA 873 Ca 0.26 -3.08 -0.29 0.00 0.00 0.00 0.00 51.96 48.84 3k1q s ALA 873 Cb -0.06 -4.28 -0.03 0.00 0.00 0.00 0.00 23.12 18.75 3k1q s ALA 873 CO -0.14 -3.00 1.51 0.71 0.00 0.00 0.00 175.76 174.84 3k1q s TYR 874 N 2.66 2.30 -0.72 0.00 2.02 -1.26 -0.88 117.35 121.47 3k1q s TYR 874 Ca 0.44 0.60 -0.00 0.00 -0.37 0.00 0.00 57.07 57.74 3k1q s TYR 874 Cb -0.01 -3.86 0.18 0.00 -0.40 0.00 0.00 41.96 37.87 3k1q s TYR 874 CO -0.00 -2.75 0.54 0.08 -1.57 0.00 0.00 175.55 171.85 3k1q s VAL 875 N 4.47 3.63 0.41 0.71 1.01 0.14 -4.92 120.40 125.84 3k1q s VAL 875 Ca 0.67 -3.57 -0.25 0.00 0.00 0.00 0.00 61.98 58.83 3k1q s VAL 875 Cb -0.25 -3.34 -0.11 0.00 0.00 0.00 0.00 36.38 32.68 3k1q s VAL 875 CO 0.25 -0.96 1.04 1.67 0.00 0.00 0.00 175.10 177.10 3k1q n GLN 876 N 2.75 1.42 0.00 2.72 0.00 -1.26 -2.72 117.38 120.29 3k1q n GLN 876 Ca 0.14 0.51 0.00 0.00 -0.00 0.00 0.00 57.00 57.65 3k1q n GLN 876 Cb 0.36 -2.06 0.00 0.00 0.00 0.00 0.00 30.24 28.54 3k1q n GLN 876 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3k1q n GLY 877 N 1.14 2.55 3.28 1.69 0.00 -1.04 -4.91 105.19 107.91 3k1q n GLY 877 Ca 0.09 -1.92 -0.44 0.00 0.00 0.00 0.00 46.02 43.75 3k1q n GLY 877 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3k1q s ASP 878 N 0.00 6.79 0.00 1.61 2.15 -1.26 -3.30 116.67 122.66 3k1q s ASP 878 Ca 0.00 -3.28 0.00 0.00 0.43 0.00 0.00 52.55 49.70 3k1q s ASP 878 Cb 0.00 -2.14 0.00 0.00 -0.30 0.00 0.00 42.92 40.48 3k1q s ASP 878 CO 0.00 -0.36 0.00 0.00 -0.17 0.00 0.00 175.17 174.64 3k1q n TYR 879 N 3.09 0.00 0.25 -5.34 0.18 -1.26 -2.33 117.16 111.76 3k1q n TYR 879 Ca 0.19 0.00 0.09 0.00 1.88 0.00 0.00 57.90 60.06 3k1q n TYR 879 Cb 0.41 -0.02 0.65 0.00 -0.38 0.00 0.00 39.34 40.00 3k1q n TYR 879 CO 0.00 0.00 0.00 0.77 -2.08 0.00 0.00 176.86 175.55 3k1q h SER 880 N 0.00 0.00 -4.16 9.48 0.02 -2.00 -3.41 113.55 113.48 3k1q h SER 880 Ca 0.00 0.00 -0.52 0.00 -0.84 0.00 0.00 61.79 60.43 3k1q h SER 880 Cb 0.00 0.00 0.12 0.00 0.14 0.00 0.00 62.40 62.66 3k1q h SER 880 CO 0.00 0.09 0.41 0.42 -1.14 0.00 0.00 176.83 176.61 3k1q s THR 881 N -4.71 2.72 0.19 -2.27 -4.23 -0.98 -5.00 115.64 101.36 3k1q s THR 881 Ca -0.04 0.38 -0.32 0.00 -1.18 0.00 0.00 61.69 60.52 3k1q s THR 881 Cb 0.16 -2.99 -0.12 0.00 1.34 0.00 0.00 72.50 70.89 3k1q s THR 881 CO 0.65 -0.16 1.72 0.00 -0.54 0.00 0.00 174.62 176.28 3k1q n ALA 882 N -2.23 2.57 -2.09 3.99 0.00 -1.26 -4.51 120.51 116.98 3k1q n ALA 882 Ca 0.12 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.96 3k1q n ALA 882 Cb 0.51 -2.51 0.00 0.00 0.00 0.00 0.00 19.45 17.45 3k1q n ALA 882 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3k1q n ALA 883 N 4.07 -1.52 0.00 0.00 0.00 -1.26 -4.98 120.51 116.82 3k1q n ALA 883 Ca 0.16 0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.86 3k1q n ALA 883 Cb 0.34 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.77 3k1q n ALA 883 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3k1q n PHE 884 N 1.88 0.00 -0.31 0.00 7.35 -1.26 -4.95 117.46 120.17 3k1q n PHE 884 Ca 0.00 0.00 0.14 0.00 -0.76 0.00 0.00 57.45 56.83 3k1q n PHE 884 Cb 0.00 0.00 0.31 0.00 0.35 0.00 0.00 39.48 40.14 3k1q n PHE 884 CO 0.00 0.00 0.00 0.11 -0.76 0.00 0.00 176.76 176.11 3k1q h TRP 885 N 0.00 0.63 0.00 -5.13 0.09 -1.87 -3.31 115.95 106.36 3k1q h TRP 885 Ca 0.00 0.04 0.00 0.00 0.09 0.00 0.00 58.89 59.02 3k1q h TRP 885 Cb 0.00 -0.14 0.00 0.00 0.08 0.00 0.00 29.16 29.10 3k1q h TRP 885 CO 0.00 -0.07 0.00 0.09 0.09 0.00 0.00 178.44 178.55 3k1q n ASN 886 N -5.07 0.00 0.17 0.11 4.13 -1.26 -0.28 115.26 113.05 3k1q n ASN 886 Ca 0.22 0.00 0.13 0.00 1.68 0.00 0.00 54.58 56.62 3k1q n ASN 886 Cb 0.67 0.00 0.44 0.00 -1.54 0.00 0.00 39.78 39.35 3k1q n ASN 886 CO 0.00 0.00 0.00 1.23 0.28 0.00 0.00 177.26 178.77 3k1q h GLY 887 N 0.00 0.00 -6.60 7.41 0.00 -2.02 -3.46 103.07 98.41 3k1q h GLY 887 Ca 0.00 0.00 -0.61 0.00 0.00 0.00 0.00 47.33 46.72 3k1q h GLY 887 CO 0.00 0.00 0.28 -0.42 0.00 0.00 0.00 176.54 176.40 3k1q s ILE 888 N -3.29 4.83 -0.07 2.60 1.01 0.61 -5.04 121.20 121.85 3k1q s ILE 888 Ca 0.06 0.90 0.02 0.00 0.00 0.00 0.00 60.65 61.63 3k1q s ILE 888 Cb 0.09 -4.12 -0.03 0.00 0.01 0.00 0.00 42.46 38.42 3k1q s ILE 888 CO 0.54 -0.29 -0.10 -0.13 0.00 0.00 0.00 174.94 174.96 3k1q s ARG 889 N 2.87 2.73 0.16 2.79 1.81 -1.26 -4.71 118.95 123.33 3k1q s ARG 889 Ca 0.29 -0.61 -0.24 0.00 -1.72 0.00 0.00 55.73 53.45 3k1q s ARG 889 Cb -0.14 -2.53 0.07 0.00 -0.45 0.00 0.00 34.95 31.91 3k1q s ARG 889 CO 0.14 0.61 1.02 0.00 -0.68 0.00 0.00 175.30 176.39 3k1q n ASP 891 N -0.84 2.42 -3.31 0.00 10.43 0.18 -2.55 116.55 122.88 3k1q n ASP 891 Ca -0.05 -3.49 0.03 0.00 2.57 0.00 0.00 54.79 53.85 3k1q n ASP 891 Cb 0.60 -0.53 -0.03 0.00 1.84 0.00 0.00 41.12 43.01 3k1q n ASP 891 CO 0.00 0.00 0.00 -0.55 -1.07 0.00 0.00 177.20 175.58 3k1q s SER 892 N -2.76 -0.70 -0.72 -2.24 0.15 -1.12 -1.62 113.70 104.68 3k1q s SER 892 Ca 0.38 0.72 -0.11 0.00 0.70 0.00 0.00 55.95 57.64 3k1q s SER 892 Cb 0.35 1.70 0.19 0.00 -1.71 0.00 0.00 66.02 66.55 3k1q s SER 892 CO 0.00 -0.13 0.63 0.00 1.20 0.00 0.00 173.24 174.94 3k1q s ALA 893 N 2.68 3.87 -0.37 5.45 0.00 0.95 0.08 121.76 134.42 3k1q s ALA 893 Ca 0.01 -3.16 -0.23 0.00 0.00 0.00 0.00 51.96 48.58 3k1q s ALA 893 Cb -0.09 -3.25 0.01 0.00 0.00 0.00 0.00 23.12 19.79 3k1q s ALA 893 CO -0.16 -2.18 0.77 0.95 0.00 0.00 0.00 175.76 175.14 3k1q s THR 894 N 0.38 4.74 -0.28 0.00 -4.23 -0.54 -1.11 115.64 114.59 3k1q s THR 894 Ca 0.15 0.83 -0.03 0.00 -1.18 0.00 0.00 61.69 61.46 3k1q s THR 894 Cb -0.16 -4.21 0.11 0.00 1.34 0.00 0.00 72.50 69.58 3k1q s THR 894 CO -0.06 -0.44 0.17 0.00 -0.54 0.00 0.00 174.62 173.75 3k1q s ALA 895 N 3.08 0.32 -0.18 3.99 0.00 -0.04 -1.32 121.76 127.61 3k1q s ALA 895 Ca 0.31 -0.84 -0.01 0.00 0.00 0.00 0.00 51.96 51.42 3k1q s ALA 895 Cb -0.13 -1.48 -0.00 0.00 0.00 0.00 0.00 23.12 21.50 3k1q s ALA 895 CO 0.17 -1.64 -0.13 0.42 0.00 0.00 0.00 175.76 174.58 3k1q s ILE 896 N 2.17 2.79 0.00 0.00 1.01 -1.26 -0.98 121.20 124.93 3k1q s ILE 896 Ca 0.09 -0.71 0.00 0.00 0.00 0.00 0.00 60.65 60.03 3k1q s ILE 896 Cb -0.15 -2.21 0.00 0.00 0.01 0.00 0.00 42.46 40.11 3k1q s ILE 896 CO -0.35 0.49 0.00 0.49 0.00 0.00 0.00 174.94 175.58 3k1q n PHE 897 N 4.34 0.00 -0.27 3.97 3.01 -1.23 -4.76 117.46 122.52 3k1q n PHE 897 Ca -0.19 0.00 0.03 0.00 1.01 0.00 0.00 57.45 58.30 3k1q n PHE 897 Cb 0.51 0.00 0.11 0.00 -0.01 0.00 0.00 39.48 40.09 3k1q n PHE 897 CO 0.00 0.00 0.00 1.79 1.01 0.00 0.00 176.76 179.56 3k1q h THR 898 N 0.00 0.23 -0.83 4.37 1.35 -1.88 -2.22 112.91 113.93 3k1q h THR 898 Ca 0.00 -0.00 0.18 0.00 -0.55 0.00 0.00 66.41 66.03 3k1q h THR 898 Cb 0.00 0.22 -0.11 0.00 -1.73 0.00 0.00 68.15 66.53 3k1q h THR 898 CO 0.00 0.00 0.36 -0.29 -0.25 0.00 0.00 175.52 175.34 3k1q h ILE 899 N 0.01 0.58 0.00 6.82 6.09 -1.85 -0.10 117.51 129.06 3k1q h ILE 899 Ca 0.39 -0.15 0.00 0.00 -1.37 0.00 0.00 64.86 63.72 3k1q h ILE 899 Cb 0.61 0.09 0.00 0.00 0.47 0.00 0.00 36.82 37.99 3k1q h ILE 899 CO -0.79 0.08 0.00 0.61 -3.07 0.00 0.00 178.15 174.98 3k1q n GLY 900 N -1.33 -3.34 0.34 8.18 0.00 -0.84 -0.01 105.19 108.19 3k1q n GLY 900 Ca 0.18 0.52 0.13 0.00 0.00 0.00 0.00 46.02 46.86 3k1q n GLY 900 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k1q h ALA 901 N -1.82 1.08 -0.77 4.61 0.00 -1.48 -1.61 119.26 119.28 3k1q h ALA 901 Ca 0.00 0.35 0.08 0.00 0.00 0.00 0.00 54.91 55.33 3k1q h ALA 901 Cb 0.00 0.62 -0.06 0.00 0.00 0.00 0.00 17.79 18.35 3k1q h ALA 901 CO 0.00 -0.54 0.44 0.00 0.00 0.00 0.00 179.25 179.14 3k1q h ALA 902 N 1.98 1.06 -0.40 0.00 0.00 -0.82 0.96 119.26 122.05 3k1q h ALA 902 Ca 0.58 0.02 -0.14 0.00 0.00 0.00 0.00 54.91 55.37 3k1q h ALA 902 Cb 1.15 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 3k1q h ALA 902 CO -0.94 0.10 -0.29 0.00 0.00 0.00 0.00 179.25 178.12 3k1q h ALA 903 N 1.41 0.72 -0.59 0.00 0.00 0.38 -2.27 119.26 118.90 3k1q h ALA 903 Ca 0.35 -0.41 0.02 0.00 0.00 0.00 0.00 54.91 54.87 3k1q h ALA 903 Cb 0.27 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 3k1q h ALA 903 CO -0.21 0.66 0.39 0.00 0.00 0.00 0.00 179.25 180.09 3k1q h ALA 904 N 0.92 1.62 -0.74 0.00 0.00 -0.28 -2.70 119.26 118.07 3k1q h ALA 904 Ca 0.08 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 3k1q h ALA 904 Cb 0.85 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.38 3k1q h ALA 904 CO 0.07 0.34 0.45 0.00 0.00 0.00 0.00 179.25 180.11 3k1q h ALA 905 N 1.64 1.39 0.00 0.00 0.00 -0.49 -1.47 119.26 120.32 3k1q h ALA 905 Ca 0.22 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3k1q h ALA 905 Cb -0.03 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.46 3k1q h ALA 905 CO -0.05 0.53 0.00 0.00 0.00 0.00 0.00 179.25 179.72 3k1q n ALA 906 N -2.42 2.30 -4.33 0.00 0.00 -0.89 -4.98 120.51 110.19 3k1q n ALA 906 Ca 0.08 -0.10 -0.35 0.00 0.00 0.00 0.00 53.44 53.07 3k1q n ALA 906 Cb 0.07 -1.45 -0.07 0.00 0.00 0.00 0.00 19.45 17.99 3k1q n ALA 906 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k1q n GLY 907 N 1.32 -0.26 3.48 0.00 0.00 -0.56 -4.96 105.19 104.21 3k1q n GLY 907 Ca 0.08 0.14 -0.24 0.00 0.00 0.00 0.00 46.02 46.00 3k1q n GLY 907 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3k1q s THR 908 N -3.85 2.57 -0.30 2.61 -4.23 -1.25 -5.08 115.64 106.11 3k1q s THR 908 Ca 0.35 -2.29 -0.28 0.00 -1.18 0.00 0.00 61.69 58.28 3k1q s THR 908 Cb -0.20 -2.33 -0.03 0.00 1.34 0.00 0.00 72.50 71.28 3k1q s THR 908 CO 0.99 -0.35 1.97 -1.81 -0.54 0.00 0.00 174.62 174.87 3k1q s ASP 909 N -3.39 5.69 0.43 3.99 1.01 -1.26 -4.88 116.67 118.26 3k1q s ASP 909 Ca 0.29 1.50 0.29 0.00 0.71 0.00 0.00 52.55 55.34 3k1q s ASP 909 Cb -0.06 -2.52 1.41 0.00 1.01 0.00 0.00 42.92 42.77 3k1q s ASP 909 CO 0.15 -1.83 1.61 -0.07 0.21 0.00 0.00 175.17 175.24 3k1q h LEU 910 N 14.34 0.26 -0.79 1.23 3.38 -1.98 0.41 115.31 132.16 3k1q h LEU 910 Ca -0.36 0.16 0.13 0.00 0.09 0.00 0.00 57.88 57.90 3k1q h LEU 910 Cb 1.20 0.15 -0.09 0.00 0.09 0.00 0.00 40.66 42.01 3k1q h LEU 910 CO 1.01 -0.22 0.38 0.40 0.09 0.00 0.00 178.44 180.10 3k1q h ILE 911 N 0.07 0.73 0.07 1.22 2.04 -1.99 0.13 117.51 119.79 3k1q h ILE 911 Ca 0.83 -0.19 -0.00 0.00 1.00 0.00 0.00 64.86 66.49 3k1q h ILE 911 Cb 2.54 0.12 0.00 0.00 -0.74 0.00 0.00 36.82 38.74 3k1q h ILE 911 CO -0.48 0.10 -0.03 0.00 0.00 0.00 0.00 178.15 177.74 3k1q h ALA 912 N 1.53 -0.10 -0.80 1.87 0.00 -0.59 0.74 119.26 121.90 3k1q h ALA 912 Ca 0.42 -0.23 0.16 0.00 0.00 0.00 0.00 54.91 55.26 3k1q h ALA 912 Cb 0.58 0.04 -0.15 0.00 0.00 0.00 0.00 17.79 18.26 3k1q h ALA 912 CO -0.35 -0.12 -0.21 0.35 0.00 0.00 0.00 179.25 178.91 3k1q h PHE 913 N -0.96 -0.47 0.05 0.00 3.57 -1.08 0.10 116.94 118.15 3k1q h PHE 913 Ca -0.01 0.07 0.01 0.00 3.53 0.00 0.00 57.97 61.57 3k1q h PHE 913 Cb 0.49 0.33 -0.01 0.00 2.79 0.00 0.00 35.95 39.55 3k1q h PHE 913 CO 0.11 -0.35 -0.07 0.28 -2.23 0.00 0.00 178.31 176.05 3k1q h VAL 914 N -0.01 0.83 -0.28 1.41 2.07 -0.62 -2.01 116.25 117.64 3k1q h VAL 914 Ca 0.38 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.95 3k1q h VAL 914 Cb 0.59 0.83 -0.08 0.00 -1.52 0.00 0.00 31.29 31.11 3k1q h VAL 914 CO -0.83 0.00 -0.50 1.56 0.02 0.00 0.00 177.57 177.82 3k1q h GLN 915 N -0.15 -0.44 -0.81 1.57 4.20 -0.64 -1.33 115.11 117.52 3k1q h GLN 915 Ca 0.01 0.03 0.23 0.00 0.06 0.00 0.00 58.65 58.98 3k1q h GLN 915 Cb 0.16 0.10 -0.04 0.00 0.30 0.00 0.00 27.48 28.00 3k1q h GLN 915 CO -0.04 -0.29 0.58 0.37 -0.67 0.00 0.00 178.83 178.77 3k1q h GLN 916 N -0.45 0.04 -0.35 1.46 -0.00 -0.89 -0.87 115.11 114.04 3k1q h GLN 916 Ca 0.08 -0.00 -0.14 0.00 -0.00 0.00 0.00 58.65 58.58 3k1q h GLN 916 Cb 0.63 -0.01 -0.01 0.00 0.00 0.00 0.00 27.48 28.09 3k1q h GLN 916 CO -0.51 0.03 -0.36 1.25 0.00 0.00 0.00 178.83 179.24 3k1q h LEU 917 N 0.04 0.86 0.00 -2.39 5.85 -0.51 -1.70 115.31 117.46 3k1q h LEU 917 Ca 0.39 -0.37 0.00 0.00 0.84 0.00 0.00 57.88 58.73 3k1q h LEU 917 Cb 1.48 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 42.27 3k1q h LEU 917 CO -0.02 1.13 0.00 -0.38 -0.34 0.00 0.00 178.44 178.82 3k1q n ILE 918 N -4.06 0.00 -0.31 4.05 5.41 -0.34 -1.97 119.36 122.15 3k1q n ILE 918 Ca -0.02 1.39 0.20 0.00 1.00 0.00 0.00 62.75 65.32 3k1q n ILE 918 Cb 0.52 -2.30 0.38 0.00 -0.71 0.00 0.00 39.64 37.53 3k1q n ILE 918 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 3k1q n PRO 919 N -1.80 -0.07 -0.06 0.38 -0.02 -1.20 0.03 135.00 132.26 3k1q n PRO 919 Ca 0.00 1.34 -0.02 0.00 -2.02 0.00 0.00 63.50 62.81 3k1q n PRO 919 Cb 0.00 -2.24 -0.01 0.00 -0.02 0.00 0.00 33.50 31.23 3k1q n PRO 919 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3k1q n ARG 920 N -5.26 -0.06 0.20 -0.52 1.74 -0.64 -2.98 116.66 109.14 3k1q n ARG 920 Ca 0.27 0.82 0.09 0.00 -0.77 0.00 0.00 57.85 58.26 3k1q n ARG 920 Cb 0.90 -1.22 0.32 0.00 -1.02 0.00 0.00 32.46 31.44 3k1q n ARG 920 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 3k1q h ILE 921 N 0.00 0.50 -0.99 0.55 1.08 -0.33 -2.83 117.51 115.48 3k1q h ILE 921 Ca 0.02 -1.34 0.26 0.00 -0.39 0.00 0.00 64.86 63.41 3k1q h ILE 921 Cb 0.06 1.96 -0.07 0.00 -3.07 0.00 0.00 36.82 35.70 3k1q h ILE 921 CO -0.14 0.24 0.67 0.58 -0.69 0.00 0.00 178.15 178.82 3k1q h VAL 922 N 0.00 0.55 -0.47 1.67 2.07 -0.32 -1.99 116.25 117.76 3k1q h VAL 922 Ca -0.00 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.44 3k1q h VAL 922 Cb 0.94 0.29 0.00 0.00 -1.52 0.00 0.00 31.29 31.00 3k1q h VAL 922 CO 0.03 0.04 0.00 0.00 0.02 0.00 0.00 177.57 177.67 3k1q n ALA 923 N -2.59 2.53 -2.43 1.67 0.00 -1.07 -4.87 120.51 113.75 3k1q n ALA 923 Ca 0.22 -0.88 -0.22 0.00 0.00 0.00 0.00 53.44 52.56 3k1q n ALA 923 Cb 0.91 -0.97 -0.10 0.00 0.00 0.00 0.00 19.45 19.28 3k1q n ALA 923 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3k1q s ALA 924 N -1.44 2.40 -1.14 0.00 0.00 -0.75 -5.03 121.76 115.80 3k1q s ALA 924 Ca 0.32 -1.88 -0.07 0.00 0.00 0.00 0.00 51.96 50.33 3k1q s ALA 924 Cb 0.18 0.07 -0.00 0.00 0.00 0.00 0.00 23.12 23.37 3k1q s ALA 924 CO 0.21 0.00 2.78 0.41 0.00 0.00 0.00 175.76 179.15 3k1q n GLY 925 N -0.58 4.52 3.47 0.00 0.00 -1.26 -4.90 105.19 106.44 3k1q n GLY 925 Ca -0.06 -1.75 -0.33 0.00 0.00 0.00 0.00 46.02 43.88 3k1q n GLY 925 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3k1q s GLY 926 N 1.14 1.62 -0.01 -0.02 0.00 -1.06 -3.97 107.32 105.02 3k1q s GLY 926 Ca 0.61 -0.88 -0.04 0.00 0.00 0.00 0.00 44.72 44.41 3k1q s GLY 926 CO -0.09 -0.36 -0.08 -1.30 0.00 0.00 0.00 173.10 171.27 3k1q n THR 927 N 3.03 0.73 -2.30 0.90 -2.24 -1.17 -4.59 114.28 108.65 3k1q n THR 927 Ca -0.18 0.26 -0.37 0.00 -2.27 0.00 0.00 64.05 61.49 3k1q n THR 927 Cb 0.53 -1.58 -0.04 0.00 -2.10 0.00 0.00 70.33 67.14 3k1q n THR 927 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3k1q s ARG 928 N -1.75 2.99 -0.50 -0.78 0.52 -0.64 -1.28 118.95 117.52 3k1q s ARG 928 Ca -0.06 -0.28 -0.22 0.00 -0.52 0.00 0.00 55.73 54.64 3k1q s ARG 928 Cb 0.01 -4.77 0.04 0.00 0.52 0.00 0.00 34.95 30.75 3k1q s ARG 928 CO 0.10 -2.63 0.77 1.41 0.02 0.00 0.00 175.30 174.97 3k1q s MET 929 N 6.19 3.28 -0.92 3.54 1.75 0.84 -0.04 119.30 133.94 3k1q s MET 929 Ca 0.55 -0.41 -0.07 0.00 -1.25 0.00 0.00 55.69 54.50 3k1q s MET 929 Cb -0.07 -4.02 0.23 0.00 2.84 0.00 0.00 34.83 33.81 3k1q s MET 929 CO 0.06 -1.25 0.85 -1.58 -0.65 0.00 0.00 175.02 172.44 3k1q s TRP 930 N 3.26 3.94 -0.69 4.11 0.52 -0.27 -1.18 118.94 128.63 3k1q s TRP 930 Ca 0.25 -2.65 -0.16 0.00 0.02 0.00 0.00 56.10 53.56 3k1q s TRP 930 Cb -0.14 -3.57 0.16 0.00 -1.15 0.00 0.00 33.47 28.76 3k1q s TRP 930 CO 0.18 -0.88 0.70 -1.17 0.02 0.00 0.00 176.95 175.79 3k1q s LEU 931 N -0.84 6.12 -1.13 2.99 2.96 -0.32 -0.86 118.68 127.61 3k1q s LEU 931 Ca 0.25 -2.06 -0.08 0.00 -0.22 0.00 0.00 54.13 52.02 3k1q s LEU 931 Cb -0.11 -2.25 0.27 0.00 0.50 0.00 0.00 46.19 44.60 3k1q s LEU 931 CO -0.09 -0.83 1.30 1.67 -1.32 0.00 0.00 176.35 177.08 3k1q n GLN 932 N 5.14 3.76 -2.84 1.98 0.00 -0.16 -1.58 117.38 123.69 3k1q n GLN 932 Ca 0.00 -4.35 -0.38 0.00 -0.00 0.00 0.00 57.00 52.28 3k1q n GLN 932 Cb 0.44 -2.63 -0.06 0.00 0.00 0.00 0.00 30.24 27.99 3k1q n GLN 932 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.06 175.89 3k1q s LEU 933 N -1.22 4.42 -0.69 1.69 2.96 -1.26 -3.49 118.68 121.10 3k1q s LEU 933 Ca 0.33 1.78 -0.19 0.00 -0.22 0.00 0.00 54.13 55.83 3k1q s LEU 933 Cb -0.04 -3.81 -0.18 0.00 0.50 0.00 0.00 46.19 42.66 3k1q s LEU 933 CO -0.02 0.02 1.74 0.59 -1.32 0.00 0.00 176.35 177.36 3k1q n ASN 934 N 0.86 0.33 -3.99 3.68 3.02 -1.26 -4.34 115.26 113.57 3k1q n ASN 934 Ca -0.00 -2.14 -0.18 0.00 -0.03 0.00 0.00 54.58 52.23 3k1q n ASN 934 Cb 0.49 -1.30 -0.15 0.00 -0.61 0.00 0.00 39.78 38.21 3k1q n ASN 934 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 3k1q s THR 935 N 11.72 0.57 0.49 3.41 -1.32 -0.97 -1.14 115.64 128.40 3k1q s THR 935 Ca 0.57 -0.30 -0.22 0.00 -1.21 0.00 0.00 61.69 60.53 3k1q s THR 935 Cb -0.02 -0.49 -0.06 0.00 -1.51 0.00 0.00 72.50 70.41 3k1q s THR 935 CO 0.14 0.17 1.20 -2.84 -2.21 0.00 0.00 174.62 171.08 3k1q s PRO 936 N -0.09 3.55 0.03 7.08 0.02 -1.17 -4.07 135.00 140.36 3k1q s PRO 936 Ca 0.02 1.85 -0.08 0.00 0.02 0.00 0.00 61.00 62.80 3k1q s PRO 936 Cb -0.04 -2.30 -0.31 0.00 0.02 0.00 0.00 34.50 31.87 3k1q s PRO 936 CO -0.00 -0.75 0.99 -0.07 -0.33 0.00 0.00 177.00 176.84 3k1q h LEU 937 N 1.77 0.57 0.00 -5.54 3.38 -1.07 -3.37 115.31 111.05 3k1q h LEU 937 Ca -0.50 -0.67 0.00 0.00 0.09 0.00 0.00 57.88 56.81 3k1q h LEU 937 Cb 1.26 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.83 3k1q h LEU 937 CO 0.59 1.53 0.00 -1.22 0.09 0.00 0.00 178.44 179.43 3k1q n TYR 938 N -3.58 0.00 -1.15 1.13 4.02 -1.26 -4.98 117.16 111.33 3k1q n TYR 938 Ca -0.14 0.00 -0.45 0.00 -0.01 0.00 0.00 57.90 57.30 3k1q n TYR 938 Cb 1.06 0.00 -0.11 0.00 -0.02 0.00 0.00 39.34 40.27 3k1q n TYR 938 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 176.86 173.94 3k1q n GLU 939 N 0.00 0.00 -1.43 -0.72 4.07 -1.26 -4.86 120.64 116.44 3k1q n GLU 939 Ca 0.00 0.00 -0.51 0.00 -0.06 0.00 0.00 57.16 56.59 3k1q n GLU 939 Cb 0.00 -1.28 -0.08 0.00 -0.06 0.00 0.00 31.44 30.02 3k1q n GLU 939 CO 0.00 0.00 0.00 1.33 -0.06 0.00 0.00 177.13 178.40 3k1q n VAL 940 N 5.89 0.16 -3.85 6.31 0.24 -1.26 -4.99 118.33 120.84 3k1q n VAL 940 Ca 0.51 -0.25 -0.36 0.00 -2.04 0.00 0.00 64.34 62.21 3k1q n VAL 940 Cb -0.01 -1.56 -0.13 0.00 -1.47 0.00 0.00 33.84 30.67 3k1q n VAL 940 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 3k1q s SER 941 N 7.36 4.66 0.31 -1.34 0.15 -1.26 -5.12 113.70 118.46 3k1q s SER 941 Ca 1.11 -0.31 -0.29 0.00 0.70 0.00 0.00 55.95 57.16 3k1q s SER 941 Cb -0.90 -1.82 -0.11 0.00 -1.71 0.00 0.00 66.02 61.49 3k1q s SER 941 CO 0.50 -0.02 1.47 -0.44 1.20 0.00 0.00 173.24 175.94 3k1q s SER 942 N 1.52 6.51 -0.68 5.45 0.01 -1.26 -4.99 113.70 120.26 3k1q s SER 942 Ca 0.06 2.85 -0.05 0.00 1.31 0.00 0.00 55.95 60.13 3k1q s SER 942 Cb -0.15 -2.64 0.18 0.00 0.21 0.00 0.00 66.02 63.62 3k1q s SER 942 CO -0.00 -0.78 0.52 -0.76 0.41 0.00 0.00 173.24 172.63 3k1q s LEU 943 N -1.14 5.51 0.68 2.44 1.43 0.24 -5.02 118.68 122.82 3k1q s LEU 943 Ca 0.57 -2.90 -0.16 0.00 -1.03 0.00 0.00 54.13 50.60 3k1q s LEU 943 Cb -0.44 -1.92 0.01 0.00 0.03 0.00 0.00 46.19 43.87 3k1q s LEU 943 CO 0.52 -0.39 1.23 -2.16 0.23 0.00 0.00 176.35 175.78 3k1q s PRO 944 N -0.14 2.42 -1.68 1.29 0.04 -1.26 0.28 135.00 135.96 3k1q s PRO 944 Ca 0.18 1.84 0.00 0.00 0.04 0.00 0.00 61.00 63.06 3k1q s PRO 944 Cb -0.18 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.50 3k1q s PRO 944 CO -0.05 -1.64 0.00 -0.40 0.04 0.00 0.00 177.00 174.95 3k1q n ASP 945 N -2.29 -5.53 0.00 6.66 5.75 -1.26 -4.61 116.55 115.27 3k1q n ASP 945 Ca 0.14 0.39 0.00 0.00 -0.01 0.00 0.00 54.79 55.31 3k1q n ASP 945 Cb 0.50 -4.42 0.00 0.00 -1.03 0.00 0.00 41.12 36.16 3k1q n ASP 945 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 3k1q n LEU 946 N -1.80 0.00 -4.22 -2.12 4.77 -0.87 -4.66 117.00 108.10 3k1q n LEU 946 Ca -0.16 0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.48 3k1q n LEU 946 Cb 0.62 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.57 3k1q n LEU 946 CO 0.24 0.00 -0.45 -0.63 -1.33 0.00 0.00 177.39 175.22 3k1q s ILE 947 N 0.00 2.79 -0.10 -0.08 -1.09 0.14 0.10 121.20 122.97 3k1q s ILE 947 Ca 0.00 -0.71 0.01 0.00 -2.23 0.00 0.00 60.65 57.72 3k1q s ILE 947 Cb 0.00 -2.25 -0.02 0.00 -1.58 0.00 0.00 42.46 38.61 3k1q s ILE 947 CO 0.00 0.46 -0.11 -1.61 -1.23 0.00 0.00 174.94 172.45 3k1q s GLU 948 N 1.39 3.07 -0.28 2.79 8.01 -0.72 0.83 118.70 133.79 3k1q s GLU 948 Ca 0.05 -0.65 -0.10 0.00 0.01 0.00 0.00 54.97 54.28 3k1q s GLU 948 Cb -0.14 -2.59 -0.04 0.00 -4.31 0.00 0.00 34.13 27.06 3k1q s GLU 948 CO -0.07 0.41 0.16 0.42 0.01 0.00 0.00 175.26 176.18 3k1q s ILE 949 N -0.14 4.96 -0.13 -1.63 1.01 -1.26 -0.12 121.20 123.89 3k1q s ILE 949 Ca -0.00 -0.02 0.02 0.00 0.00 0.00 0.00 60.65 60.65 3k1q s ILE 949 Cb -0.13 -3.39 0.01 0.00 0.01 0.00 0.00 42.46 38.96 3k1q s ILE 949 CO 0.03 0.23 -0.18 -0.62 0.00 0.00 0.00 174.94 174.40 3k1q s ASP 950 N 1.70 2.77 -0.23 3.58 -1.08 -0.12 -4.98 116.67 118.32 3k1q s ASP 950 Ca 0.07 -0.52 0.01 0.00 -0.52 0.00 0.00 52.55 51.59 3k1q s ASP 950 Cb -0.16 -1.26 -0.19 0.00 -1.46 0.00 0.00 42.92 39.85 3k1q s ASP 950 CO 0.08 0.04 -0.10 0.18 0.52 0.00 0.00 175.17 175.89 3k1q n LEU 951 N 4.19 2.83 -0.27 -1.34 4.32 -1.26 0.30 117.00 125.76 3k1q n LEU 951 Ca -0.19 -0.07 0.08 0.00 -0.02 0.00 0.00 56.01 55.81 3k1q n LEU 951 Cb 0.51 -0.91 0.22 0.00 -1.62 0.00 0.00 43.42 41.62 3k1q n LEU 951 CO 0.25 0.91 0.93 0.03 -1.22 0.00 0.00 177.39 178.29 3k1q h ARG 952 N 0.01 0.24 -4.38 3.23 -0.00 -1.96 -2.97 114.38 108.56 3k1q h ARG 952 Ca -0.55 -0.01 -0.63 0.00 -0.50 0.00 0.00 59.98 58.28 3k1q h ARG 952 Cb 1.94 -0.05 -0.40 0.00 0.00 0.00 0.00 29.97 31.46 3k1q h ARG 952 CO -0.05 0.16 -0.74 0.16 0.00 0.00 0.00 179.97 179.49 3k1q s ASP 953 N -5.19 4.44 -0.08 7.04 -4.77 -1.26 -5.06 116.67 111.79 3k1q s ASP 953 Ca -0.13 -1.84 -0.16 0.00 -3.30 0.00 0.00 52.55 47.12 3k1q s ASP 953 Cb 0.23 -1.37 -0.19 0.00 -1.09 0.00 0.00 42.92 40.49 3k1q s ASP 953 CO 0.76 -0.35 1.16 1.41 0.70 0.00 0.00 175.17 178.84 3k1q n HIS 954 N 4.47 0.07 -3.87 2.11 8.25 -1.12 -4.68 115.22 120.44 3k1q n HIS 954 Ca -0.01 -0.24 -0.12 0.00 -0.26 0.00 0.00 57.72 57.09 3k1q n HIS 954 Cb 0.42 -0.73 -0.14 0.00 1.12 0.00 0.00 29.99 30.66 3k1q n HIS 954 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3k1q s VAL 955 N 5.74 0.01 -0.10 1.59 1.01 0.15 -0.88 120.40 127.91 3k1q s VAL 955 Ca 0.38 -0.04 -0.25 0.00 0.00 0.00 0.00 61.98 62.06 3k1q s VAL 955 Cb 0.07 -0.05 -0.03 0.00 0.00 0.00 0.00 36.38 36.37 3k1q s VAL 955 CO 0.18 -0.02 0.80 -0.31 0.00 0.00 0.00 175.10 175.74 3k1q s TYR 956 N -0.06 3.53 -1.12 5.22 4.12 0.20 -0.94 117.35 128.29 3k1q s TYR 956 Ca -0.01 1.32 -0.12 0.00 0.02 0.00 0.00 57.07 58.28 3k1q s TYR 956 Cb -0.01 -2.94 0.22 0.00 -1.52 0.00 0.00 41.96 37.71 3k1q s TYR 956 CO -0.00 -0.06 1.22 0.50 0.02 0.00 0.00 175.55 177.23 3k1q s ARG 957 N 1.38 4.06 0.06 -0.62 3.00 0.83 -1.00 118.95 126.66 3k1q s ARG 957 Ca 0.40 -2.78 -0.32 0.00 -1.00 0.00 0.00 55.73 52.04 3k1q s ARG 957 Cb -0.18 -4.79 -0.11 0.00 0.00 0.00 0.00 34.95 29.88 3k1q s ARG 957 CO 0.17 -1.51 1.87 0.34 0.00 0.00 0.00 175.30 176.18 3k1q n PHE 958 N 4.35 2.51 0.19 5.12 7.35 -0.13 -1.75 117.46 135.11 3k1q n PHE 958 Ca 0.28 -0.16 0.04 0.00 -0.76 0.00 0.00 57.45 56.85 3k1q n PHE 958 Cb 0.42 -2.73 0.39 0.00 0.35 0.00 0.00 39.48 37.92 3k1q n PHE 958 CO 0.00 0.00 0.00 -0.91 -0.76 0.00 0.00 176.76 175.09 3k1q h ASN 959 N 9.10 0.00 -0.26 -2.13 4.21 -0.64 -0.89 115.58 124.97 3k1q h ASN 959 Ca -0.48 0.00 -0.03 0.00 1.21 0.00 0.00 56.30 57.00 3k1q h ASN 959 Cb 1.24 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 38.43 3k1q h ASN 959 CO 0.94 0.35 0.20 0.61 -1.29 0.00 0.00 177.43 178.24 3k1q n GLY 960 N -0.43 -0.23 5.12 2.83 0.00 -1.26 -4.40 105.19 106.82 3k1q n GLY 960 Ca -0.02 0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.25 3k1q n GLY 960 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k1q n GLY 961 N 6.55 0.53 3.15 -0.02 0.00 -1.26 -4.23 105.19 109.90 3k1q n GLY 961 Ca 0.47 0.69 0.05 0.00 0.00 0.00 0.00 46.02 47.23 3k1q n GLY 961 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3k1q s GLU 962 N 0.00 0.31 -0.28 1.61 -6.30 -1.24 -5.02 118.70 107.78 3k1q s GLU 962 Ca 0.00 0.54 -0.00 0.00 -2.50 0.00 0.00 54.97 53.00 3k1q s GLU 962 Cb 0.00 0.30 0.09 0.00 0.00 0.00 0.00 34.13 34.52 3k1q s GLU 962 CO 0.00 -0.35 0.06 0.50 0.02 0.00 0.00 175.26 175.49 3k1q s ARG 963 N 2.92 0.90 -0.70 4.30 3.52 -0.34 -5.01 118.95 124.55 3k1q s ARG 963 Ca 0.07 -1.03 -0.26 0.00 -0.13 0.00 0.00 55.73 54.38 3k1q s ARG 963 Cb -0.11 -2.20 -0.09 0.00 -1.56 0.00 0.00 34.95 30.98 3k1q s ARG 963 CO -0.15 -0.87 2.30 0.14 -0.81 0.00 0.00 175.30 175.91 3k1q s VAL 964 N 1.56 3.09 -0.48 7.11 -7.23 -1.26 -0.95 120.40 122.24 3k1q s VAL 964 Ca 0.06 -0.03 -0.13 0.00 -1.81 0.00 0.00 61.98 60.07 3k1q s VAL 964 Cb -0.18 -3.22 0.10 0.00 0.56 0.00 0.00 36.38 33.64 3k1q s VAL 964 CO -0.18 -0.21 0.38 -1.61 -0.31 0.00 0.00 175.10 173.17 3k1q s GLU 965 N 8.30 2.77 0.17 4.82 0.41 -0.17 -4.72 118.70 130.27 3k1q s GLU 965 Ca 0.89 -1.59 -0.33 0.00 -0.41 0.00 0.00 54.97 53.53 3k1q s GLU 965 Cb -0.13 -4.05 -0.16 0.00 -1.78 0.00 0.00 34.13 28.01 3k1q s GLU 965 CO 0.14 -1.14 1.19 -2.30 -0.49 0.00 0.00 175.26 172.66 3k1q n PRO 966 N 5.07 1.21 -4.53 0.39 -0.02 -1.26 0.58 135.00 136.43 3k1q n PRO 966 Ca -0.11 0.43 -0.23 0.00 -2.02 0.00 0.00 63.50 61.57 3k1q n PRO 966 Cb 0.42 -1.95 -0.14 0.00 -0.02 0.00 0.00 33.50 31.81 3k1q n PRO 966 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 3k1q s TYR 967 N -0.11 1.52 -0.07 6.00 -0.85 -0.06 -4.29 117.35 119.49 3k1q s TYR 967 Ca 0.74 -0.35 0.03 0.00 -0.52 0.00 0.00 57.07 56.97 3k1q s TYR 967 Cb -0.85 -0.91 -0.02 0.00 0.38 0.00 0.00 41.96 40.55 3k1q s TYR 967 CO 0.51 0.05 -0.16 0.00 -1.52 0.00 0.00 175.55 174.44 3k1q s ALA 968 N -0.77 2.57 0.40 9.51 0.00 -0.29 -3.94 121.76 129.25 3k1q s ALA 968 Ca 0.05 -0.97 -0.27 0.00 0.00 0.00 0.00 51.96 50.77 3k1q s ALA 968 Cb -0.08 -0.97 -0.09 0.00 0.00 0.00 0.00 23.12 21.98 3k1q s ALA 968 CO 0.01 0.47 1.38 0.34 0.00 0.00 0.00 175.76 177.96 3k1q s ASP 969 N -0.41 6.26 0.44 0.00 -1.08 -1.26 -3.02 116.67 117.60 3k1q s ASP 969 Ca 0.04 2.83 0.17 0.00 -0.52 0.00 0.00 52.55 55.08 3k1q s ASP 969 Cb -0.12 -2.65 1.10 0.00 -1.46 0.00 0.00 42.92 39.79 3k1q s ASP 969 CO 0.02 -0.90 1.94 1.55 0.52 0.00 0.00 175.17 178.29 3k1q h PRO 970 N 2.76 0.34 0.03 4.34 0.13 -1.91 -3.02 132.00 134.67 3k1q h PRO 970 Ca -0.50 -0.02 -0.00 0.00 -0.87 0.00 0.00 66.00 64.61 3k1q h PRO 970 Cb 1.25 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.30 3k1q h PRO 970 CO 0.63 0.23 -0.01 0.28 -0.23 0.00 0.00 178.00 178.89 3k1q h VAL 971 N 0.35 1.34 -0.75 1.56 2.07 -1.93 0.69 116.25 119.59 3k1q h VAL 971 Ca 0.35 -1.80 0.14 0.00 0.82 0.00 0.00 66.70 66.21 3k1q h VAL 971 Cb 0.85 2.45 -0.10 0.00 -1.52 0.00 0.00 31.29 32.98 3k1q h VAL 971 CO -0.10 0.42 0.28 -0.65 0.02 0.00 0.00 177.57 177.54 3k1q h PRO 972 N -0.91 0.40 -0.32 1.57 0.11 -1.97 0.43 132.00 131.31 3k1q h PRO 972 Ca -0.00 -0.02 0.04 0.00 0.11 0.00 0.00 66.00 66.13 3k1q h PRO 972 Cb 0.72 -0.09 -0.08 0.00 0.11 0.00 0.00 31.00 31.66 3k1q h PRO 972 CO 0.01 0.27 -0.56 1.25 -0.21 0.00 0.00 178.00 178.76 3k1q h LEU 973 N 0.41 -1.83 -1.46 2.35 5.85 -1.40 -0.47 115.31 118.77 3k1q h LEU 973 Ca 0.41 0.23 0.11 0.00 0.84 0.00 0.00 57.88 59.48 3k1q h LEU 973 Cb 0.64 0.74 -0.05 0.00 0.37 0.00 0.00 40.66 42.35 3k1q h LEU 973 CO -0.42 -0.43 0.49 1.56 -0.34 0.00 0.00 178.44 179.31 3k1q h GLN 974 N -0.46 0.56 -0.61 1.25 4.20 0.18 -0.83 115.11 119.41 3k1q h GLN 974 Ca 0.06 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 58.70 3k1q h GLN 974 Cb 0.62 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 28.25 3k1q h GLN 974 CO -0.55 0.37 0.25 1.96 -0.67 0.00 0.00 178.83 180.19 3k1q h GLN 975 N 0.58 0.90 -0.36 1.46 1.08 0.30 0.89 115.11 119.97 3k1q h GLN 975 Ca 0.35 -0.16 -0.12 0.00 -1.45 0.00 0.00 58.65 57.28 3k1q h GLN 975 Cb 0.59 -0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 27.85 3k1q h GLN 975 CO -0.13 0.76 -0.25 0.00 -0.95 0.00 0.00 178.83 178.26 3k1q h ALA 976 N 1.10 0.89 0.14 3.87 0.00 0.26 -1.04 119.26 124.47 3k1q h ALA 976 Ca 0.20 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 3k1q h ALA 976 Cb 0.19 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3k1q h ALA 976 CO -0.02 0.63 -0.07 0.82 0.00 0.00 0.00 179.25 180.61 3k1q h ILE 977 N 0.63 0.99 -0.60 0.00 2.04 -1.11 -2.62 117.51 116.84 3k1q h ILE 977 Ca 0.08 -0.62 0.11 0.00 1.00 0.00 0.00 64.86 65.43 3k1q h ILE 977 Cb 0.76 1.38 -0.08 0.00 -0.74 0.00 0.00 36.82 38.13 3k1q h ILE 977 CO 0.06 0.15 0.15 0.00 0.00 0.00 0.00 178.15 178.50 3k1q h ALA 978 N 0.32 0.72 -0.43 1.87 0.00 -0.62 -0.66 119.26 120.46 3k1q h ALA 978 Ca -0.02 0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 3k1q h ALA 978 Cb 0.38 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 3k1q h ALA 978 CO 0.03 -0.29 0.05 0.00 0.00 0.00 0.00 179.25 179.05 3k1q h ALA 979 N 1.47 1.29 -0.80 0.00 0.00 -1.23 -3.32 119.26 116.66 3k1q h ALA 979 Ca 0.31 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3k1q h ALA 979 Cb 0.45 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3k1q h ALA 979 CO -0.38 0.49 0.00 -0.11 0.00 0.00 0.00 179.25 179.25 3k1q n LEU 980 N -4.27 0.33 0.00 0.00 7.94 -0.99 -5.09 117.00 114.92 3k1q n LEU 980 Ca 0.03 0.66 0.00 0.00 -1.11 0.00 0.00 56.01 55.59 3k1q n LEU 980 Cb 0.24 -0.37 0.00 0.00 0.53 0.00 0.00 43.42 43.82 3k1q n LEU 980 CO 0.40 -0.37 0.00 0.00 -1.11 0.00 0.00 177.39 176.31 3k1q n LEU 981 N -1.60 0.00 -0.48 -1.96 -0.00 -0.28 -5.06 117.00 107.62 3k1q n LEU 981 Ca 0.00 0.00 0.06 0.00 -0.00 0.00 0.00 56.01 56.07 3k1q n LEU 981 Cb 0.00 0.00 0.15 0.00 -0.00 0.00 0.00 43.42 43.57 3k1q n LEU 981 CO 0.00 0.00 0.62 -0.81 -0.00 0.00 0.00 177.39 177.20 3k1q n PRO 982 N -0.22 2.58 -0.01 1.47 -0.04 -1.26 -4.46 135.00 133.07 3k1q n PRO 982 Ca 0.00 -2.31 0.00 0.00 -0.04 0.00 0.00 63.50 61.15 3k1q n PRO 982 Cb 0.00 -1.45 0.00 0.00 -0.04 0.00 0.00 33.50 32.01 3k1q n PRO 982 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3k1q n ALA 983 N -0.42 1.60 -3.17 0.55 0.00 -1.26 -4.42 120.51 113.39 3k1q n ALA 983 Ca 0.13 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.44 3k1q n ALA 983 Cb 0.58 -1.18 -0.06 0.00 0.00 0.00 0.00 19.45 18.79 3k1q n ALA 983 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3k1q s ALA 984 N 1.10 -1.02 -0.00 0.00 0.00 -1.26 -4.57 121.76 116.02 3k1q s ALA 984 Ca 0.00 0.32 -0.30 0.00 0.00 0.00 0.00 51.96 51.98 3k1q s ALA 984 Cb 0.00 0.34 -0.05 0.00 0.00 0.00 0.00 23.12 23.41 3k1q s ALA 984 CO 0.00 -0.45 1.24 0.00 0.00 0.00 0.00 175.76 176.55 3k1q s ALA 985 N -2.44 3.48 -0.43 0.00 0.00 0.12 -3.42 121.76 119.07 3k1q s ALA 985 Ca -0.05 0.76 -0.02 0.00 0.00 0.00 0.00 51.96 52.65 3k1q s ALA 985 Cb -0.01 -3.51 0.12 0.00 0.00 0.00 0.00 23.12 19.72 3k1q s ALA 985 CO -0.02 -0.67 0.22 -0.51 0.00 0.00 0.00 175.76 174.77 3k1q s LEU 986 N 1.82 5.15 -0.04 0.00 1.02 -1.26 -1.40 118.68 123.98 3k1q s LEU 986 Ca 0.59 -2.19 0.05 0.00 0.02 0.00 0.00 54.13 52.59 3k1q s LEU 986 Cb -0.28 -1.80 -0.01 0.00 0.02 0.00 0.00 46.19 44.13 3k1q s LEU 986 CO 0.25 -0.49 -0.19 -0.94 0.02 0.00 0.00 176.35 175.01 3k1q s SER 987 N 1.47 2.27 -0.10 2.29 1.04 -0.37 -2.59 113.70 117.72 3k1q s SER 987 Ca 0.10 -0.37 -0.00 0.00 0.48 0.00 0.00 55.95 56.16 3k1q s SER 987 Cb -0.22 -0.51 -0.03 0.00 0.10 0.00 0.00 66.02 65.37 3k1q s SER 987 CO -0.04 0.19 -0.07 0.26 0.98 0.00 0.00 173.24 174.56 3k1q s TRP 988 N -0.14 2.94 -0.90 5.02 0.52 -1.26 -1.17 118.94 123.95 3k1q s TRP 988 Ca -0.00 -0.12 -0.24 0.00 0.02 0.00 0.00 56.10 55.75 3k1q s TRP 988 Cb -0.10 -1.78 0.00 0.00 -1.15 0.00 0.00 33.47 30.44 3k1q s TRP 988 CO 0.01 0.19 1.67 -1.01 0.02 0.00 0.00 176.95 177.83 3k1q s HIS 989 N -0.41 2.13 0.00 -1.98 3.76 -1.07 -4.93 115.29 112.79 3k1q s HIS 989 Ca 0.06 -0.01 0.00 0.00 -0.15 0.00 0.00 55.06 54.96 3k1q s HIS 989 Cb -0.12 -4.37 0.00 0.00 1.11 0.00 0.00 32.58 29.20 3k1q s HIS 989 CO 0.02 -1.92 0.57 0.25 -0.85 0.00 0.00 174.74 172.82 3k1q n THR 990 N 7.26 0.00 0.06 1.30 -2.24 -1.26 -4.68 114.28 114.72 3k1q n THR 990 Ca 0.31 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 62.01 3k1q n THR 990 Cb 0.49 -1.18 0.06 0.00 -2.10 0.00 0.00 70.33 67.60 3k1q n THR 990 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3k1q h LEU 991 N 6.97 0.42 -2.62 3.22 3.38 -1.93 -3.36 115.31 121.39 3k1q h LEU 991 Ca 0.00 -0.26 0.01 0.00 0.09 0.00 0.00 57.88 57.72 3k1q h LEU 991 Cb 0.00 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.63 3k1q h LEU 991 CO 0.57 0.97 0.07 0.28 0.09 0.00 0.00 178.44 180.42 3k1q h SER 992 N 0.25 0.00 0.00 -0.43 0.02 -1.84 -2.01 113.55 109.54 3k1q h SER 992 Ca -0.02 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.80 3k1q h SER 992 Cb 1.22 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.74 3k1q h SER 992 CO 0.11 0.00 -2.05 -0.81 -1.14 0.00 0.00 176.83 172.94 3k1q n PRO 993 N -3.37 0.74 -3.34 3.45 -0.04 -1.26 -4.93 135.00 126.26 3k1q n PRO 993 Ca -0.02 -0.12 -0.38 0.00 -0.04 0.00 0.00 63.50 62.94 3k1q n PRO 993 Cb 0.15 -1.48 -0.06 0.00 -0.04 0.00 0.00 33.50 32.07 3k1q n PRO 993 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 3k1q s THR 994 N -3.03 5.18 -0.13 0.52 -4.23 -0.76 -4.99 115.64 108.21 3k1q s THR 994 Ca -0.08 0.92 0.28 0.00 -1.18 0.00 0.00 61.69 61.63 3k1q s THR 994 Cb 0.10 -3.80 0.34 0.00 1.34 0.00 0.00 72.50 70.49 3k1q s THR 994 CO 0.80 0.35 1.80 0.00 -0.54 0.00 0.00 174.62 177.03 3k1q h ASP 996 N 0.00 0.72 0.98 0.00 5.19 -1.94 0.17 116.42 121.53 3k1q h ASP 996 Ca -0.00 0.12 -0.08 0.00 -0.62 0.00 0.00 57.03 56.45 3k1q h ASP 996 Cb 0.77 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.27 3k1q h ASP 996 CO 0.01 0.17 -0.40 4.11 -3.12 0.00 0.00 179.24 180.01 3k1q h TRP 997 N 0.65 0.00 -0.53 4.55 5.08 -1.94 -3.28 115.95 120.48 3k1q h TRP 997 Ca 0.62 0.00 0.07 0.00 1.08 0.00 0.00 58.89 60.66 3k1q h TRP 997 Cb 1.10 0.00 -0.03 0.00 -3.00 0.00 0.00 29.16 27.23 3k1q h TRP 997 CO -0.01 0.40 0.36 1.25 -1.28 0.00 0.00 178.44 179.16 3k1q h LEU 998 N 0.00 0.39 -1.41 0.11 5.85 -1.23 -0.40 115.31 118.61 3k1q h LEU 998 Ca -0.00 0.00 0.22 0.00 0.84 0.00 0.00 57.88 58.94 3k1q h LEU 998 Cb 0.99 -0.08 -0.08 0.00 0.37 0.00 0.00 40.66 41.86 3k1q h LEU 998 CO 0.05 0.25 0.62 -0.65 -0.34 0.00 0.00 178.44 178.38 3k1q h PRO 999 N 0.44 0.43 0.34 5.25 0.11 -1.68 -1.71 132.00 135.19 3k1q h PRO 999 Ca 0.24 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.32 3k1q h PRO 999 Cb 0.36 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 31.35 3k1q h PRO 999 CO -0.06 0.29 -0.38 -0.92 -0.21 0.00 0.00 178.00 176.71 3k1q h TYR 1000N 0.45 -1.04 -0.89 0.65 3.20 -1.25 -0.74 116.97 117.35 3k1q h TYR 1000Ca 0.52 0.01 0.16 0.00 3.14 0.00 0.00 58.73 62.56 3k1q h TYR 1000Cb 1.24 0.41 -0.16 0.00 1.54 0.00 0.00 36.73 39.76 3k1q h TYR 1000CO -0.00 -0.52 -0.29 0.82 -1.64 0.00 0.00 178.16 176.52 3k1q h ILE 1001N -0.76 0.07 -0.76 1.81 5.03 -1.51 -1.82 117.51 119.57 3k1q h ILE 1001Ca -0.02 0.00 0.11 0.00 -0.12 0.00 0.00 64.86 64.83 3k1q h ILE 1001Cb 0.69 0.07 -0.05 0.00 -3.03 0.00 0.00 36.82 34.51 3k1q h ILE 1001CO -0.09 0.00 0.50 0.40 -0.68 0.00 0.00 178.15 178.28 3k1q h ILE 1002N -0.02 0.90 -0.20 -0.67 2.04 -0.38 -2.93 117.51 116.24 3k1q h ILE 1002Ca 0.38 -0.21 0.06 0.00 1.00 0.00 0.00 64.86 66.09 3k1q h ILE 1002Cb 0.63 0.24 -0.01 0.00 -0.74 0.00 0.00 36.82 36.93 3k1q h ILE 1002CO -0.92 0.11 0.15 1.23 0.00 0.00 0.00 178.15 178.73 3k1q h GLY 1003N 0.61 0.00 -4.54 5.37 0.00 -0.27 -2.69 103.07 101.54 3k1q h GLY 1003Ca 0.36 0.00 -0.69 0.00 0.00 0.00 0.00 47.33 47.00 3k1q h GLY 1003CO -0.13 0.00 0.52 3.33 0.00 0.00 0.00 176.54 180.26 3k1q n VAL 1004N -4.40 3.29 -4.14 4.60 0.24 -1.10 -4.70 118.33 112.11 3k1q n VAL 1004Ca 0.02 -4.06 -0.40 0.00 -2.04 0.00 0.00 64.34 57.86 3k1q n VAL 1004Cb 0.29 -1.22 -0.02 0.00 -1.47 0.00 0.00 33.84 31.43 3k1q n VAL 1004CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3k1q n GLY 1005N -0.64 -0.56 2.95 7.63 0.00 -1.01 -4.97 105.19 108.58 3k1q n GLY 1005Ca 0.53 0.27 -0.31 0.00 0.00 0.00 0.00 46.02 46.51 3k1q n GLY 1005CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3k1q s SER 1006N -3.85 4.40 -0.77 1.61 0.01 -1.24 -2.59 113.70 111.28 3k1q s SER 1006Ca 0.31 -1.78 -0.25 0.00 1.31 0.00 0.00 55.95 55.54 3k1q s SER 1006Cb -0.18 -1.37 -0.17 0.00 0.21 0.00 0.00 66.02 64.52 3k1q s SER 1006CO 0.94 -0.34 2.47 -2.65 0.41 0.00 0.00 173.24 174.07 3k1q n PRO 1007N 4.48 0.50 -1.32 12.44 -0.02 -1.25 -4.64 135.00 145.19 3k1q n PRO 1007Ca -0.02 -0.16 -0.36 0.00 -2.02 0.00 0.00 63.50 60.95 3k1q n PRO 1007Cb 0.42 -2.57 0.09 0.00 -0.02 0.00 0.00 33.50 31.42 3k1q n PRO 1007CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3k1q n LEU 1008N 13.37 2.94 -3.93 2.45 4.77 -0.08 -1.85 117.00 134.66 3k1q n LEU 1008Ca 0.52 0.64 -0.20 0.00 -0.03 0.00 0.00 56.01 56.95 3k1q n LEU 1008Cb 0.31 -1.37 -0.16 0.00 -2.33 0.00 0.00 43.42 39.88 3k1q n LEU 1008CO 0.80 -2.27 -0.42 0.21 -1.33 0.00 0.00 177.39 174.39 3k1q s ASN 1009N -1.63 0.98 0.10 -1.43 3.84 -1.26 0.19 114.94 115.74 3k1q s ASN 1009Ca 0.71 -0.14 -0.07 0.00 0.21 0.00 0.00 52.86 53.57 3k1q s ASN 1009Cb -0.34 -0.39 -0.17 0.00 -0.55 0.00 0.00 41.25 39.80 3k1q s ASN 1009CO 0.52 -0.01 1.24 -0.07 -2.79 0.00 0.00 177.10 175.99 3k1q h LEU 1010N 6.82 0.63 -0.78 3.21 3.38 -1.50 0.07 115.31 127.14 3k1q h LEU 1010Ca -0.36 -0.53 -0.08 0.00 0.09 0.00 0.00 57.88 57.00 3k1q h LEU 1010Cb 1.16 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.70 3k1q h LEU 1010CO 0.48 1.35 0.04 0.28 0.09 0.00 0.00 178.44 180.67 3k1q h SER 1011N 0.24 0.93 0.24 -0.43 0.02 -1.78 -2.61 113.55 110.16 3k1q h SER 1011Ca -0.11 -0.23 -0.03 0.00 -0.84 0.00 0.00 61.79 60.58 3k1q h SER 1011Cb 1.70 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 63.98 3k1q h SER 1011CO 0.19 0.96 -0.15 0.44 -1.14 0.00 0.00 176.83 177.13 3k1q h ASP 1012N 0.89 0.00 0.35 3.07 3.32 -1.86 -2.36 116.42 119.83 3k1q h ASP 1012Ca 0.17 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.20 3k1q h ASP 1012Cb 0.47 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.03 3k1q h ASP 1012CO 0.02 0.15 -0.17 0.40 -1.72 0.00 0.00 179.24 177.92 3k1q h ILE 1013N 0.00 0.66 -0.48 0.35 5.03 -0.59 -2.56 117.51 119.91 3k1q h ILE 1013Ca -0.00 0.00 -0.07 0.00 -0.12 0.00 0.00 64.86 64.67 3k1q h ILE 1013Cb 0.31 0.66 -0.02 0.00 -3.03 0.00 0.00 36.82 34.74 3k1q h ILE 1013CO 0.02 0.00 0.01 -0.55 -0.68 0.00 0.00 178.15 176.95 3k1q h ASN 1014N -0.47 0.75 -0.48 1.72 -1.07 -1.29 -0.74 115.58 114.00 3k1q h ASN 1014Ca -0.05 -0.18 0.06 0.00 0.07 0.00 0.00 56.30 56.21 3k1q h ASN 1014Cb 0.36 -0.20 -0.05 0.00 -2.07 0.00 0.00 38.32 36.36 3k1q h ASN 1014CO 0.08 0.81 0.18 0.71 0.07 0.00 0.00 177.43 179.28 3k1q h THR 1015N 0.73 0.86 -0.21 6.14 1.35 -1.45 -1.06 112.91 119.27 3k1q h THR 1015Ca 0.14 -0.12 0.03 0.00 -0.55 0.00 0.00 66.41 65.91 3k1q h THR 1015Cb 0.44 0.46 -0.03 0.00 -1.73 0.00 0.00 68.15 67.29 3k1q h THR 1015CO 0.02 0.07 0.05 0.00 -0.25 0.00 0.00 175.52 175.40 3k1q h ALA 1016N 1.31 0.21 -0.96 6.62 0.00 -1.16 -2.21 119.26 123.08 3k1q h ALA 1016Ca 0.23 0.04 0.25 0.00 0.00 0.00 0.00 54.91 55.42 3k1q h ALA 1016Cb 0.22 0.04 -0.18 0.00 0.00 0.00 0.00 17.79 17.87 3k1q h ALA 1016CO -0.22 -0.38 -0.01 0.82 0.00 0.00 0.00 179.25 179.46 3k1q h ILE 1017N 0.13 0.06 -0.48 0.00 2.04 -0.53 0.15 117.51 118.88 3k1q h ILE 1017Ca 0.09 -0.01 0.03 0.00 1.00 0.00 0.00 64.86 65.97 3k1q h ILE 1017Cb 0.09 0.04 -0.03 0.00 -0.74 0.00 0.00 36.82 36.17 3k1q h ILE 1017CO -0.12 0.00 0.27 0.28 0.00 0.00 0.00 178.15 178.59 3k1q h SER 1018N 0.02 0.43 -0.32 1.72 0.02 -0.99 -3.11 113.55 111.32 3k1q h SER 1018Ca 0.56 0.01 -0.16 0.00 -0.84 0.00 0.00 61.79 61.36 3k1q h SER 1018Cb 1.10 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 63.56 3k1q h SER 1018CO -0.90 0.30 -0.41 0.22 -1.14 0.00 0.00 176.83 174.90 3k1q h TYR 1019N 0.54 1.05 -1.04 3.45 5.03 -0.48 -2.45 116.97 123.07 3k1q h TYR 1019Ca 0.20 -0.32 0.36 0.00 2.58 0.00 0.00 58.73 61.55 3k1q h TYR 1019Cb 0.05 -0.22 -0.15 0.00 1.55 0.00 0.00 36.73 37.95 3k1q h TYR 1019CO -0.08 1.13 0.60 0.66 -1.32 0.00 0.00 178.16 179.15 3k1q h SER 1020N 0.71 0.43 0.12 -2.11 4.64 -0.70 -0.14 113.55 116.50 3k1q h SER 1020Ca 0.05 0.20 -0.00 0.00 -0.47 0.00 0.00 61.79 61.57 3k1q h SER 1020Cb 0.99 0.17 -0.00 0.00 -0.31 0.00 0.00 62.40 63.25 3k1q h SER 1020CO 0.10 -0.21 -0.01 -0.09 -0.87 0.00 0.00 176.83 175.74 3k1q h ARG 1021N 0.22 0.00 0.00 4.77 1.12 -1.46 -0.71 114.38 118.31 3k1q h ARG 1021Ca 0.77 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 59.64 3k1q h ARG 1021Cb 1.92 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 31.88 3k1q h ARG 1021CO -0.62 0.01 -1.70 1.28 -3.11 0.00 0.00 179.97 175.84 3k1q n LEU 1022N -3.35 0.15 -3.57 3.80 4.32 -0.15 -0.38 117.00 117.81 3k1q n LEU 1022Ca -0.03 -0.09 -0.27 0.00 -0.02 0.00 0.00 56.01 55.61 3k1q n LEU 1022Cb 0.11 0.00 -0.10 0.00 -1.62 0.00 0.00 43.42 41.81 3k1q n LEU 1022CO 0.24 0.04 -0.15 0.35 -1.22 0.00 0.00 177.39 176.64 3k1q n THR 1023N -2.04 0.44 -3.21 -5.08 -2.24 -0.67 -2.30 114.28 99.19 3k1q n THR 1023Ca -0.02 -4.30 -0.21 0.00 -2.27 0.00 0.00 64.05 57.25 3k1q n THR 1023Cb 0.46 -1.96 0.00 0.00 -2.10 0.00 0.00 70.33 66.74 3k1q n THR 1023CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 3k1q s PRO 1024N -1.04 3.08 -0.48 -0.78 0.04 -0.33 -4.52 135.00 130.97 3k1q s PRO 1024Ca 0.31 -0.75 -0.18 0.00 0.04 0.00 0.00 61.00 60.43 3k1q s PRO 1024Cb 0.04 -2.68 0.05 0.00 0.04 0.00 0.00 34.50 31.95 3k1q s PRO 1024CO -0.15 -0.12 0.52 0.42 0.04 0.00 0.00 177.00 177.70 3k1q s ILE 1025N -2.38 5.03 -0.53 0.56 1.01 -1.26 -4.06 121.20 119.57 3k1q s ILE 1025Ca 0.47 -0.63 -0.28 0.00 0.00 0.00 0.00 60.65 60.20 3k1q s ILE 1025Cb -0.10 -4.19 0.02 0.00 0.01 0.00 0.00 42.46 38.20 3k1q s ILE 1025CO 0.35 -0.65 1.35 -0.22 0.00 0.00 0.00 174.94 175.77 3k1q s LEU 1026N 2.22 3.46 -0.40 2.97 2.96 -0.61 -2.58 118.68 126.70 3k1q s LEU 1026Ca 0.11 0.38 -0.15 0.00 -0.22 0.00 0.00 54.13 54.24 3k1q s LEU 1026Cb -0.20 -3.21 0.01 0.00 0.50 0.00 0.00 46.19 43.29 3k1q s LEU 1026CO 0.11 -1.58 0.34 -2.28 -1.32 0.00 0.00 176.35 171.62 3k1q s HIS 1027N 5.62 3.21 -0.21 5.38 5.65 -0.31 -1.17 115.29 133.46 3k1q s HIS 1027Ca 0.52 -0.41 0.01 0.00 0.25 0.00 0.00 55.06 55.44 3k1q s HIS 1027Cb -0.10 -2.68 0.04 0.00 -1.18 0.00 0.00 32.58 28.66 3k1q s HIS 1027CO 0.27 -0.58 -0.13 0.96 -0.65 0.00 0.00 174.74 174.62 3k1q s ILE 1028N 1.87 1.87 -0.21 0.89 -4.36 -0.33 -1.23 121.20 119.70 3k1q s ILE 1028Ca 0.08 -1.15 -0.06 0.00 -0.26 0.00 0.00 60.65 59.26 3k1q s ILE 1028Cb -0.18 -1.89 -0.03 0.00 1.25 0.00 0.00 42.46 41.61 3k1q s ILE 1028CO 0.11 0.20 0.03 -1.81 0.24 0.00 0.00 174.94 173.72 3k1q s ASP 1029N 1.30 5.02 0.00 4.36 1.11 -0.49 -0.11 116.67 127.85 3k1q s ASP 1029Ca -0.02 -0.17 0.00 0.00 0.18 0.00 0.00 52.55 52.55 3k1q s ASP 1029Cb -0.16 -1.87 0.00 0.00 1.07 0.00 0.00 42.92 41.95 3k1q s ASP 1029CO -0.08 0.05 0.09 0.35 1.18 0.00 0.00 175.17 176.75 3k1q n THR 1030N 4.35 0.00 -2.02 -1.27 -2.24 -0.41 0.13 114.28 112.82 3k1q n THR 1030Ca -0.17 0.59 -0.27 0.00 -2.27 0.00 0.00 64.05 61.93 3k1q n THR 1030Cb 0.52 -1.53 -0.06 0.00 -2.10 0.00 0.00 70.33 67.15 3k1q n THR 1030CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3k1q s THR 1031N -0.17 3.48 0.03 4.28 -4.23 -1.26 -4.27 115.64 113.49 3k1q s THR 1031Ca 0.00 -0.71 -0.27 0.00 -1.18 0.00 0.00 61.69 59.52 3k1q s THR 1031Cb 0.00 -4.36 0.09 0.00 1.34 0.00 0.00 72.50 69.57 3k1q s THR 1031CO 0.00 -0.90 0.84 0.42 -0.54 0.00 0.00 174.62 174.44 3k1q s THR 1032N 11.29 0.00 0.05 3.99 -4.23 -1.26 -5.02 115.64 120.46 3k1q s THR 1032Ca 0.70 -0.04 -0.31 0.00 -1.18 0.00 0.00 61.69 60.87 3k1q s THR 1032Cb -0.03 -1.05 -0.07 0.00 1.34 0.00 0.00 72.50 72.69 3k1q s THR 1032CO 0.10 0.00 1.52 -2.16 -0.54 0.00 0.00 174.62 173.54 3k1q s PRO 1033N -3.25 4.24 0.06 3.99 0.04 -1.26 -4.29 135.00 134.53 3k1q s PRO 1033Ca 0.05 2.16 -0.37 0.00 0.04 0.00 0.00 61.00 62.87 3k1q s PRO 1033Cb -0.01 -3.53 -0.18 0.00 0.04 0.00 0.00 34.50 30.82 3k1q s PRO 1033CO -0.09 -0.64 1.20 -2.30 0.04 0.00 0.00 177.00 175.22 3k1q n PRO 1034N 5.27 0.68 -3.74 0.56 -0.02 -1.26 -4.20 135.00 132.30 3k1q n PRO 1034Ca 0.14 0.25 -0.37 0.00 -2.02 0.00 0.00 63.50 61.50 3k1q n PRO 1034Cb 0.42 -1.81 -0.07 0.00 -0.02 0.00 0.00 33.50 32.02 3k1q n PRO 1034CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3k1q s LEU 1035N 0.38 4.35 -0.50 2.45 2.96 -1.22 -4.92 118.68 122.17 3k1q s LEU 1035Ca 0.86 0.51 -0.09 0.00 -0.22 0.00 0.00 54.13 55.19 3k1q s LEU 1035Cb -1.07 -2.20 0.13 0.00 0.50 0.00 0.00 46.19 43.55 3k1q s LEU 1035CO 0.51 0.31 0.37 -0.13 -1.32 0.00 0.00 176.35 176.09 3k1q s ARG 1036N -0.55 2.53 -0.23 1.98 3.00 -1.26 -4.81 118.95 119.62 3k1q s ARG 1036Ca 0.15 -1.85 -0.02 0.00 0.00 0.00 0.00 55.73 54.01 3k1q s ARG 1036Cb -0.13 -3.94 0.01 0.00 0.00 0.00 0.00 34.95 30.90 3k1q s ARG 1036CO 0.04 -1.20 -0.07 0.14 0.00 0.00 0.00 175.30 174.22 3k1q s VAL 1037N 1.21 3.00 -0.48 3.52 -7.23 -1.26 -4.89 120.40 114.27 3k1q s VAL 1037Ca 0.07 -0.79 0.03 0.00 -1.81 0.00 0.00 61.98 59.48 3k1q s VAL 1037Cb -0.25 -2.43 0.13 0.00 0.56 0.00 0.00 36.38 34.39 3k1q s VAL 1037CO -0.01 0.33 0.25 0.21 -0.31 0.00 0.00 175.10 175.56 3k1q s ASN 1038N 1.39 4.01 -0.37 4.85 2.47 -1.26 -5.01 114.94 121.02 3k1q s ASN 1038Ca 0.03 -2.85 0.05 0.00 0.42 0.00 0.00 52.86 50.52 3k1q s ASN 1038Cb -0.15 -1.36 0.46 0.00 -1.45 0.00 0.00 41.25 38.74 3k1q s ASN 1038CO -0.05 -0.25 1.38 -0.81 -3.72 0.00 0.00 177.10 173.65 3k1q n PRO 1039N 3.29 3.34 -0.03 0.43 -0.04 -1.26 -4.43 135.00 136.31 3k1q n PRO 1039Ca 0.07 -3.95 -0.03 0.00 -0.04 0.00 0.00 63.50 59.56 3k1q n PRO 1039Cb 0.33 -2.26 -0.04 0.00 -0.04 0.00 0.00 33.50 31.49 3k1q n PRO 1039CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 3k1q n VAL 1040N -0.77 0.36 -2.87 0.52 0.24 -1.26 -4.82 118.33 109.74 3k1q n VAL 1040Ca 0.47 -0.22 -0.36 0.00 -2.04 0.00 0.00 64.34 62.20 3k1q n VAL 1040Cb 0.90 -0.85 -0.06 0.00 -1.47 0.00 0.00 33.84 32.36 3k1q n VAL 1040CO 0.00 0.00 0.00 -2.84 -2.14 0.00 0.00 176.83 171.85 3k1q s PRO 1041N -2.13 4.40 -0.83 7.34 0.02 -1.26 -4.41 135.00 138.13 3k1q s PRO 1041Ca -0.03 1.16 -0.21 0.00 0.02 0.00 0.00 61.00 61.94 3k1q s PRO 1041Cb 0.02 -2.63 0.03 0.00 0.02 0.00 0.00 34.50 31.93 3k1q s PRO 1041CO 0.21 0.21 0.39 0.25 -0.33 0.00 0.00 177.00 177.74 3k1q n THR 1042N 0.23 -1.58 0.00 0.99 -2.24 -1.26 -3.92 114.28 106.49 3k1q n THR 1042Ca 0.03 -0.38 0.00 0.00 -2.27 0.00 0.00 64.05 61.42 3k1q n THR 1042Cb 0.51 -1.36 0.00 0.00 -2.10 0.00 0.00 70.33 67.39 3k1q n THR 1042CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 3k1q n PRO 1043N -3.66 0.00 -1.18 -0.78 -0.02 -1.26 -0.13 135.00 127.97 3k1q n PRO 1043Ca -0.09 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.39 3k1q n PRO 1043Cb 0.38 -0.85 0.00 0.00 -0.02 0.00 0.00 33.50 33.01 3k1q n PRO 1043CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3k1q n LEU 1044N -0.49 0.00 -3.90 2.45 4.32 -1.26 -0.02 117.00 118.10 3k1q n LEU 1044Ca 0.00 0.00 -0.31 0.00 -0.02 0.00 0.00 56.01 55.68 3k1q n LEU 1044Cb 0.00 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 3k1q n LEU 1044CO 0.00 0.00 0.03 0.59 -1.22 0.00 0.00 177.39 176.79 3k1q n ASN 1045N 0.40 -4.09 0.00 -1.43 5.03 -1.10 -4.86 115.26 109.21 3k1q n ASN 1045Ca 0.00 -0.77 0.00 0.00 0.87 0.00 0.00 54.58 54.68 3k1q n ASN 1045Cb 0.00 -3.31 0.00 0.00 -1.02 0.00 0.00 39.78 35.45 3k1q n ASN 1045CO 0.00 0.00 0.00 1.67 -1.83 0.00 0.00 177.26 177.10 3k1q n GLN 1046N -4.37 0.00 0.00 3.52 0.00 0.98 -4.93 117.38 112.58 3k1q n GLN 1046Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.04 3k1q n GLN 1046Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.76 3k1q n GLN 1046CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3k1q n GLN 1047N 0.00 0.00 -3.02 3.69 10.64 0.82 -4.28 117.38 125.23 3k1q n GLN 1047Ca 0.00 0.00 -0.36 0.00 -1.83 0.00 0.00 57.00 54.81 3k1q n GLN 1047Cb 0.00 0.00 -0.06 0.00 -0.86 0.00 0.00 30.24 29.32 3k1q n GLN 1047CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 3k1q s ALA 1049N -1.66 1.79 0.00 0.00 0.00 -1.26 -1.68 121.76 118.96 3k1q s ALA 1049Ca 0.47 -1.01 0.00 0.00 0.00 0.00 0.00 51.96 51.43 3k1q s ALA 1049Cb -0.16 -0.40 0.00 0.00 0.00 0.00 0.00 23.12 22.57 3k1q s ALA 1049CO 0.20 0.42 0.00 1.51 0.00 0.00 0.00 175.76 177.89 3k1q n ILE 1050N 2.16 0.00 -4.75 0.00 0.13 -0.79 -4.88 119.36 111.24 3k1q n ILE 1050Ca -0.16 0.00 -0.25 0.00 -1.10 0.00 0.00 62.75 61.23 3k1q n ILE 1050Cb 0.53 0.00 -0.16 0.00 -0.84 0.00 0.00 39.64 39.17 3k1q n ILE 1050CO 0.00 0.00 0.00 -0.13 2.80 0.00 0.00 176.55 179.22 3k1q s ARG 1051N -2.00 1.72 -0.27 9.51 0.52 -1.26 0.21 118.95 127.38 3k1q s ARG 1051Ca 0.00 -0.54 -0.14 0.00 -0.52 0.00 0.00 55.73 54.53 3k1q s ARG 1051Cb 0.00 -1.48 -0.04 0.00 0.52 0.00 0.00 34.95 33.95 3k1q s ARG 1051CO 0.00 0.18 0.32 -1.50 0.02 0.00 0.00 175.30 174.32 3k1q s ILE 1052N 0.20 5.21 0.52 1.52 2.07 -0.12 -4.85 121.20 125.75 3k1q s ILE 1052Ca -0.07 0.47 0.06 0.00 -1.41 0.00 0.00 60.65 59.71 3k1q s ILE 1052Cb -0.12 -3.65 0.05 0.00 0.13 0.00 0.00 42.46 38.86 3k1q s ILE 1052CO 0.03 0.19 0.71 0.42 -1.91 0.00 0.00 174.94 174.37 3k1q s THR 1053N 1.95 2.61 -1.27 4.00 -4.23 -1.26 -1.18 115.64 116.25 3k1q s THR 1053Ca 0.13 -0.90 -0.12 0.00 -1.18 0.00 0.00 61.69 59.62 3k1q s THR 1053Cb -0.16 -2.70 0.11 0.00 1.34 0.00 0.00 72.50 71.09 3k1q s THR 1053CO 0.10 0.00 0.48 -1.20 -0.54 0.00 0.00 174.62 173.46 3k1q n SER 1054N -2.15 -2.87 -4.43 3.99 7.64 0.43 -4.85 113.62 111.38 3k1q n SER 1054Ca 0.11 -0.51 -0.25 0.00 1.01 0.00 0.00 58.87 59.23 3k1q n SER 1054Cb 0.60 -2.41 -0.11 0.00 -1.01 0.00 0.00 64.21 61.28 3k1q n SER 1054CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3k1q s LEU 1055N -6.52 2.50 0.20 -3.43 1.43 0.25 -5.02 118.68 108.09 3k1q s LEU 1055Ca 0.47 -0.94 -0.33 0.00 -1.03 0.00 0.00 54.13 52.31 3k1q s LEU 1055Cb -0.26 -1.09 -0.13 0.00 0.03 0.00 0.00 46.19 44.73 3k1q s LEU 1055CO 0.58 0.06 1.55 -0.67 0.23 0.00 0.00 176.35 178.10 3k1q n ASP 1056N -0.12 3.15 -0.34 2.29 2.03 -1.26 -4.14 116.55 118.16 3k1q n ASP 1056Ca -0.09 1.10 0.11 0.00 0.52 0.00 0.00 54.79 56.43 3k1q n ASP 1056Cb 0.58 -1.46 0.23 0.00 -0.72 0.00 0.00 41.12 39.75 3k1q n ASP 1056CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 3k1q n PRO 1057N 2.97 -0.08 -3.35 -0.67 -0.04 -1.26 -2.69 135.00 129.87 3k1q n PRO 1057Ca 0.15 1.47 -0.45 0.00 -0.04 0.00 0.00 63.50 64.62 3k1q n PRO 1057Cb 0.31 -2.28 -0.05 0.00 -0.04 0.00 0.00 33.50 31.44 3k1q n PRO 1057CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3k1q s ALA 1058N -6.05 3.73 -0.12 0.55 0.00 -1.26 -4.75 121.76 113.86 3k1q s ALA 1058Ca -0.13 -2.76 -0.07 0.00 0.00 0.00 0.00 51.96 49.00 3k1q s ALA 1058Cb 0.28 -3.26 -0.04 0.00 0.00 0.00 0.00 23.12 20.09 3k1q s ALA 1058CO 0.75 -2.07 0.12 0.00 0.00 0.00 0.00 175.76 174.56 3k1q s ALA 1059N 1.16 3.79 -0.67 0.00 0.00 -1.10 -4.85 121.76 120.10 3k1q s ALA 1059Ca 0.07 -0.66 -0.08 0.00 0.00 0.00 0.00 51.96 51.29 3k1q s ALA 1059Cb -0.24 -1.92 0.17 0.00 0.00 0.00 0.00 23.12 21.13 3k1q s ALA 1059CO -0.01 0.58 0.54 0.08 0.00 0.00 0.00 175.76 176.96 3k1q s VAL 1060N -0.91 4.50 -0.75 0.00 1.01 -1.26 -4.27 120.40 118.72 3k1q s VAL 1060Ca 0.14 -2.54 -0.17 0.00 0.00 0.00 0.00 61.98 59.41 3k1q s VAL 1060Cb -0.12 -3.87 -0.13 0.00 0.00 0.00 0.00 36.38 32.26 3k1q s VAL 1060CO 0.03 -0.91 1.93 0.18 0.00 0.00 0.00 175.10 176.33 3k1q n LEU 1061N 3.95 4.06 -4.45 3.92 4.77 -1.10 -4.65 117.00 123.50 3k1q n LEU 1061Ca 0.07 -2.77 -0.13 0.00 -0.03 0.00 0.00 56.01 53.14 3k1q n LEU 1061Cb 0.42 -1.06 -0.10 0.00 -2.33 0.00 0.00 43.42 40.34 3k1q n LEU 1061CO 0.36 -0.20 1.06 -1.54 -1.33 0.00 0.00 177.39 175.74 3k1q n SER 1062N 6.58 0.79 -4.56 -1.43 3.41 -1.24 -1.45 113.62 115.72 3k1q n SER 1062Ca 0.46 -2.31 -0.36 0.00 -0.26 0.00 0.00 58.87 56.40 3k1q n SER 1062Cb 0.32 -1.51 -0.11 0.00 -0.26 0.00 0.00 64.21 62.64 3k1q n SER 1062CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3k1q s VAL 1063N 14.45 4.74 0.05 -3.33 1.01 0.19 -2.48 120.40 135.02 3k1q s VAL 1063Ca 0.68 -0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.63 3k1q s VAL 1063Cb -0.04 -3.19 -0.03 0.00 0.00 0.00 0.00 36.38 33.12 3k1q s VAL 1063CO 0.16 0.37 -0.04 0.00 0.00 0.00 0.00 175.10 175.59 3k1q s GLN 1064N 1.13 0.54 -0.75 2.72 -2.07 0.56 -1.19 119.66 120.60 3k1q s GLN 1064Ca 0.05 -0.97 0.03 0.00 -1.82 0.00 0.00 55.36 52.66 3k1q s GLN 1064Cb -0.14 0.03 0.23 0.00 -1.09 0.00 0.00 33.01 32.04 3k1q s GLN 1064CO 0.04 -0.05 0.76 1.58 -1.32 0.00 0.00 175.29 176.30 3k1q n HIS 1065N 0.78 3.51 -3.22 9.60 -0.00 0.19 0.11 115.22 126.19 3k1q n HIS 1065Ca -0.18 -4.04 -0.20 0.00 -0.00 0.00 0.00 57.72 53.30 3k1q n HIS 1065Cb 0.58 -0.75 0.02 0.00 -0.00 0.00 0.00 29.99 29.84 3k1q n HIS 1065CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.34 176.43 3k1q n ASN 1066N 1.44 -6.73 0.00 0.26 4.13 -1.26 -3.55 115.26 109.56 3k1q n ASN 1066Ca 0.25 0.04 0.00 0.00 1.68 0.00 0.00 54.58 56.55 3k1q n ASN 1066Cb 0.38 -3.66 0.00 0.00 -1.54 0.00 0.00 39.78 34.96 3k1q n ASN 1066CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3k1q n GLY 1067N -0.62 1.71 3.51 7.41 0.00 -1.26 -4.94 105.19 110.99 3k1q n GLY 1067Ca -0.02 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.87 3k1q n GLY 1067CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3k1q n VAL 1068N 0.00 0.00 -2.45 1.61 0.31 -1.23 -4.90 118.33 111.66 3k1q n VAL 1068Ca 0.00 -0.22 -0.39 0.00 -0.01 0.00 0.00 64.34 63.72 3k1q n VAL 1068Cb 0.00 -1.68 -0.03 0.00 -0.91 0.00 0.00 33.84 31.22 3k1q n VAL 1068CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 3k1q s GLU 1069N 8.21 3.28 -0.10 5.55 2.56 -1.26 0.54 118.70 137.49 3k1q s GLU 1069Ca 0.79 -0.67 -0.23 0.00 0.00 0.00 0.00 54.97 54.85 3k1q s GLU 1069Cb -0.11 -4.96 -0.20 0.00 2.00 0.00 0.00 34.13 30.87 3k1q s GLU 1069CO 0.16 -2.39 0.78 0.28 -0.56 0.00 0.00 175.26 173.53 3k1q h VAL 1070N 6.67 1.30 -3.62 3.70 2.07 -1.74 -3.44 116.25 121.19 3k1q h VAL 1070Ca 0.03 -1.72 -0.67 0.00 0.82 0.00 0.00 66.70 65.17 3k1q h VAL 1070Cb 1.03 2.35 -0.39 0.00 -1.52 0.00 0.00 31.29 32.76 3k1q h VAL 1070CO 1.35 0.40 -0.67 -0.63 0.02 0.00 0.00 177.57 178.04 3k1q s ILE 1071N -2.74 2.57 -0.91 4.57 1.01 -0.33 -3.03 121.20 122.34 3k1q s ILE 1071Ca -0.15 -2.31 0.27 0.00 0.00 0.00 0.00 60.65 58.46 3k1q s ILE 1071Cb -0.01 -2.85 0.20 0.00 0.01 0.00 0.00 42.46 39.81 3k1q s ILE 1071CO 0.56 -0.63 1.76 0.61 0.00 0.00 0.00 174.94 177.23 3k1q n GLY 1072N 4.29 -1.50 7.00 6.18 0.00 -1.20 0.53 105.19 120.49 3k1q n GLY 1072Ca 0.02 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.91 3k1q n GLY 1072CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k1q n GLY 1073N 1.44 2.90 0.30 -0.02 0.00 -0.53 -2.72 105.19 106.57 3k1q n GLY 1073Ca 0.06 -0.22 0.10 0.00 0.00 0.00 0.00 46.02 45.96 3k1q n GLY 1073CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3k1q h THR 1074N 0.00 0.55 0.00 2.61 1.35 -1.90 -2.91 112.91 112.61 3k1q h THR 1074Ca 0.00 -0.15 -0.58 0.00 -0.55 0.00 0.00 66.41 65.14 3k1q h THR 1074Cb 0.00 0.09 0.07 0.00 -1.73 0.00 0.00 68.15 66.58 3k1q h THR 1074CO 0.00 0.08 2.04 -2.65 -0.25 0.00 0.00 175.52 174.74 3k1q n PRO 1075N -5.03 1.12 0.00 4.72 -0.02 -1.22 -4.78 135.00 129.79 3k1q n PRO 1075Ca 0.19 -1.53 0.05 0.00 -2.02 0.00 0.00 63.50 60.18 3k1q n PRO 1075Cb 0.55 -2.72 0.26 0.00 -0.02 0.00 0.00 33.50 31.57 3k1q n PRO 1075CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3k1q n GLY 1076N 4.54 -0.56 0.10 -1.23 0.00 -1.10 -3.64 105.19 103.30 3k1q n GLY 1076Ca 0.46 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.43 3k1q n GLY 1076CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3k1q n ASN 1077N -1.22 0.09 0.00 1.61 6.94 -1.26 -1.67 115.26 119.74 3k1q n ASN 1077Ca 0.05 -0.94 0.00 0.00 -0.02 0.00 0.00 54.58 53.67 3k1q n ASN 1077Cb 0.07 -0.05 0.00 0.00 -2.36 0.00 0.00 39.78 37.44 3k1q n ASN 1077CO 0.00 0.00 0.00 1.33 -1.03 0.00 0.00 177.26 177.56 3k1q n VAL 1078N -0.35 0.00 -1.54 3.53 0.24 -1.26 -5.00 118.33 113.96 3k1q n VAL 1078Ca 0.00 -0.33 -0.20 0.00 -2.04 0.00 0.00 64.34 61.77 3k1q n VAL 1078Cb 0.02 0.83 -0.11 0.00 -1.47 0.00 0.00 33.84 33.11 3k1q n VAL 1078CO 0.00 0.00 0.00 -0.38 -2.14 0.00 0.00 176.83 174.31 3k1q n ILE 1079N -1.15 -0.01 0.54 1.34 -0.00 -0.67 -4.37 119.36 115.03 3k1q n ILE 1079Ca 0.00 -0.51 0.06 0.00 -0.00 0.00 0.00 62.75 62.30 3k1q n ILE 1079Cb 0.00 -1.50 -0.05 0.00 -0.00 0.00 0.00 39.64 38.09 3k1q n ILE 1079CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.55 175.01 3k1q n SER 1080N 14.53 0.69 -4.76 4.38 3.41 -1.26 -5.05 113.62 125.57 3k1q n SER 1080Ca 0.52 -0.84 -0.38 0.00 -0.26 0.00 0.00 58.87 57.91 3k1q n SER 1080Cb 0.35 0.91 0.02 0.00 -0.26 0.00 0.00 64.21 65.22 3k1q n SER 1080CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3k1q s VAL 1081N -1.99 2.53 -0.64 -3.33 0.11 -1.26 -4.88 120.40 110.94 3k1q s VAL 1081Ca 0.05 0.41 -0.27 0.00 -2.93 0.00 0.00 61.98 59.24 3k1q s VAL 1081Cb 0.09 -3.21 0.03 0.00 -1.53 0.00 0.00 36.38 31.76 3k1q s VAL 1081CO 0.44 -0.00 1.19 0.00 -3.33 0.00 0.00 175.10 173.41 3k1q s ALA 1082N -1.40 2.92 0.00 1.54 0.00 -1.26 -4.92 121.76 118.64 3k1q s ALA 1082Ca 0.67 -1.11 0.00 0.00 0.00 0.00 0.00 51.96 51.52 3k1q s ALA 1082Cb -0.35 -4.09 0.00 0.00 0.00 0.00 0.00 23.12 18.68 3k1q s ALA 1082CO 0.42 -2.88 0.00 0.41 0.00 0.00 0.00 175.76 173.72 3k1q n GLY 1083N 5.20 0.81 3.75 0.00 0.00 -1.26 -4.67 105.19 109.02 3k1q n GLY 1083Ca 0.05 -2.28 -0.38 0.00 0.00 0.00 0.00 46.02 43.41 3k1q n GLY 1083CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k1q s ALA 1084N -1.13 3.49 -0.05 4.61 0.00 -1.26 -4.87 121.76 122.55 3k1q s ALA 1084Ca 0.00 -0.09 0.04 0.00 0.00 0.00 0.00 51.96 51.91 3k1q s ALA 1084Cb 0.00 -2.68 0.00 0.00 0.00 0.00 0.00 23.12 20.44 3k1q s ALA 1084CO 0.00 0.10 -0.16 0.00 0.00 0.00 0.00 175.76 175.70 3k1q s ALA 1085N 0.18 1.46 -0.02 0.00 0.00 -1.23 -1.84 121.76 120.31 3k1q s ALA 1085Ca 0.28 -0.63 0.03 0.00 0.00 0.00 0.00 51.96 51.64 3k1q s ALA 1085Cb -0.17 -0.52 -0.00 0.00 0.00 0.00 0.00 23.12 22.43 3k1q s ALA 1085CO 0.14 0.24 -0.10 0.00 0.00 0.00 0.00 175.76 176.03 3k1q s ALA 1086N 0.17 0.91 -0.28 0.00 0.00 -0.63 -4.99 121.76 116.94 3k1q s ALA 1086Ca -0.06 -0.43 -0.03 0.00 0.00 0.00 0.00 51.96 51.44 3k1q s ALA 1086Cb -0.12 -0.27 0.09 0.00 0.00 0.00 0.00 23.12 22.82 3k1q s ALA 1086CO 0.03 0.19 0.11 -0.51 0.00 0.00 0.00 175.76 175.58 3k1q s LEU 1087N -0.09 1.06 -0.20 0.00 1.43 -1.24 -2.60 118.68 117.04 3k1q s LEU 1087Ca 0.01 -1.28 0.01 0.00 -1.03 0.00 0.00 54.13 51.84 3k1q s LEU 1087Cb -0.06 -0.51 0.02 0.00 0.03 0.00 0.00 46.19 45.68 3k1q s LEU 1087CO -0.00 -0.41 -0.17 -1.10 0.23 0.00 0.00 176.35 174.90 3k1q s GLN 1088N 1.95 2.89 -0.50 1.70 1.11 -1.16 -4.95 119.66 120.71 3k1q s GLN 1088Ca 0.08 -0.91 -0.28 0.00 0.01 0.00 0.00 55.36 54.26 3k1q s GLN 1088Cb -0.16 -2.67 0.02 0.00 -1.01 0.00 0.00 33.01 29.18 3k1q s GLN 1088CO -0.29 -0.28 1.30 0.71 0.01 0.00 0.00 175.29 176.75 3k1q s TYR 1089N 1.28 2.51 -0.80 0.91 1.51 -1.26 -1.48 117.35 120.01 3k1q s TYR 1089Ca 0.03 0.59 0.02 0.00 -1.01 0.00 0.00 57.07 56.69 3k1q s TYR 1089Cb -0.14 -4.41 0.20 0.00 -0.11 0.00 0.00 41.96 37.50 3k1q s TYR 1089CO -0.11 -1.72 0.68 -0.89 -1.11 0.00 0.00 175.55 172.40 3k1q n ILE 1090N 6.90 2.45 0.00 2.71 5.41 -0.47 -5.00 119.36 131.36 3k1q n ILE 1090Ca 0.13 -5.05 0.00 0.00 1.00 0.00 0.00 62.75 58.83 3k1q n ILE 1090Cb 0.49 -2.27 0.00 0.00 -0.71 0.00 0.00 39.64 37.15 3k1q n ILE 1090CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 176.55 176.44 3k1q n LEU 1091N 1.99 0.00 -0.32 1.39 7.94 -1.26 -1.72 117.00 125.01 3k1q n LEU 1091Ca 0.22 0.25 0.25 0.00 -1.11 0.00 0.00 56.01 55.62 3k1q n LEU 1091Cb 0.36 -0.11 0.55 0.00 0.53 0.00 0.00 43.42 44.75 3k1q n LEU 1091CO 0.34 -0.11 1.23 0.00 -1.11 0.00 0.00 177.39 177.74 3k1q h ALA 1092N -0.34 2.38 -0.01 1.96 0.00 -1.96 -2.39 119.26 118.90 3k1q h ALA 1092Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3k1q h ALA 1092Cb 0.00 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3k1q h ALA 1092CO 0.00 -0.77 -0.49 0.09 0.00 0.00 0.00 179.25 178.08 3k1q n ASN 1093N -4.55 1.25 -4.03 0.00 4.13 -0.89 -5.00 115.26 106.17 3k1q n ASN 1093Ca 0.25 -1.00 -0.33 0.00 1.68 0.00 0.00 54.58 55.18 3k1q n ASN 1093Cb 0.93 0.40 -0.04 0.00 -1.54 0.00 0.00 39.78 39.54 3k1q n ASN 1093CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3k1q n GLN 1094N -0.73 -2.41 -4.41 3.52 1.13 -0.70 -4.47 117.38 109.31 3k1q n GLN 1094Ca 0.09 0.28 -0.21 0.00 -1.94 0.00 0.00 57.00 55.22 3k1q n GLN 1094Cb 0.38 -4.95 -0.13 0.00 0.11 0.00 0.00 30.24 25.65 3k1q n GLN 1094CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 3k1q s GLU 1095N -6.71 1.02 -0.19 -1.09 2.02 -1.16 0.85 118.70 113.44 3k1q s GLU 1095Ca 0.65 -0.79 0.01 0.00 0.02 0.00 0.00 54.97 54.87 3k1q s GLU 1095Cb -0.37 -1.06 0.03 0.00 0.10 0.00 0.00 34.13 32.84 3k1q s GLU 1095CO 0.80 0.26 -0.17 -0.06 0.02 0.00 0.00 175.26 176.11 3k1q s PHE 1096N -0.84 2.80 0.05 1.61 0.40 -0.33 -1.37 117.98 120.31 3k1q s PHE 1096Ca 0.03 -1.74 -0.31 0.00 -0.60 0.00 0.00 56.93 54.32 3k1q s PHE 1096Cb -0.08 -1.88 -0.06 0.00 0.51 0.00 0.00 43.02 41.52 3k1q s PHE 1096CO 0.01 -0.81 1.24 -1.17 0.70 0.00 0.00 175.22 175.19 3k1q s LEU 1097N 1.28 4.35 -0.30 -0.37 2.96 -0.55 -0.95 118.68 125.11 3k1q s LEU 1097Ca 0.02 2.03 0.02 0.00 -0.22 0.00 0.00 54.13 55.98 3k1q s LEU 1097Cb -0.14 -3.58 0.07 0.00 0.50 0.00 0.00 46.19 43.04 3k1q s LEU 1097CO -0.11 -0.52 -0.03 -0.76 -1.32 0.00 0.00 176.35 173.60 3k1q s LEU 1098N 1.32 3.98 -0.38 -0.68 1.43 0.13 -2.96 118.68 121.52 3k1q s LEU 1098Ca 0.59 -1.63 -0.09 0.00 -1.03 0.00 0.00 54.13 51.97 3k1q s LEU 1098Cb -0.30 -1.61 0.05 0.00 0.03 0.00 0.00 46.19 44.36 3k1q s LEU 1098CO 0.28 -0.27 0.19 -1.10 0.23 0.00 0.00 176.35 175.68 3k1q s GLN 1099N 1.07 2.69 0.08 1.70 -0.21 -1.07 -1.89 119.66 122.03 3k1q s GLN 1099Ca -0.02 -1.22 0.09 0.00 0.02 0.00 0.00 55.36 54.23 3k1q s GLN 1099Cb -0.20 -3.66 -0.03 0.00 1.00 0.00 0.00 33.01 30.12 3k1q s GLN 1099CO -0.05 -0.76 -0.23 -0.06 -2.12 0.00 0.00 175.29 172.06 3k1q s PHE 1100N 1.47 2.00 -0.26 0.91 2.99 -0.67 -1.61 117.98 122.80 3k1q s PHE 1100Ca 0.01 -0.40 -0.25 0.00 0.00 0.00 0.00 56.93 56.29 3k1q s PHE 1100Cb -0.20 -1.13 0.00 0.00 0.00 0.00 0.00 43.02 41.69 3k1q s PHE 1100CO 0.04 0.20 0.87 0.99 -0.00 0.00 0.00 175.22 177.32 3k1q s THR 1101N -0.99 4.77 -0.67 0.64 2.01 -0.77 -0.06 115.64 120.58 3k1q s THR 1101Ca 0.09 1.56 -0.26 0.00 0.31 0.00 0.00 61.69 63.39 3k1q s THR 1101Cb -0.10 -4.18 -0.07 0.00 0.01 0.00 0.00 72.50 68.16 3k1q s THR 1101CO 0.04 -0.17 2.20 -2.84 -0.69 0.00 0.00 174.62 173.16 3k1q s PRO 1102N 3.00 2.17 0.00 4.92 0.02 -1.26 -4.72 135.00 139.13 3k1q s PRO 1102Ca 0.37 0.69 0.00 0.00 0.02 0.00 0.00 61.00 62.07 3k1q s PRO 1102Cb -0.15 -4.68 0.00 0.00 0.02 0.00 0.00 34.50 29.70 3k1q s PRO 1102CO 0.09 -3.48 0.00 0.25 -0.33 0.00 0.00 177.00 173.53 3k1q n THR 1103N 8.00 0.00 -1.96 0.99 -2.24 -0.97 -2.72 114.28 115.38 3k1q n THR 1103Ca 0.36 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.73 3k1q n THR 1103Cb 0.50 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.71 3k1q n THR 1103CO 0.00 0.00 0.00 -1.48 -0.57 0.00 0.00 175.07 173.02 3k1q s LEU 1104N 0.00 4.37 0.09 3.22 0.05 -1.26 -2.25 118.68 122.91 3k1q s LEU 1104Ca 0.00 2.83 -0.31 0.00 0.05 0.00 0.00 54.13 56.70 3k1q s LEU 1104Cb 0.00 -3.65 -0.08 0.00 -2.05 0.00 0.00 46.19 40.41 3k1q s LEU 1104CO 0.00 -0.72 1.55 -2.84 -0.55 0.00 0.00 176.35 173.79 3k1q s PRO 1105N -1.47 4.24 -0.30 1.48 0.02 -1.25 -3.59 135.00 134.13 3k1q s PRO 1105Ca 0.54 2.24 -0.22 0.00 0.02 0.00 0.00 61.00 63.58 3k1q s PRO 1105Cb -0.43 -3.41 0.20 0.00 0.02 0.00 0.00 34.50 30.87 3k1q s PRO 1105CO 0.54 -0.63 1.38 0.20 -0.33 0.00 0.00 177.00 178.16 3k1q s GLY 1106N 1.76 0.45 -0.41 0.52 0.00 -1.22 -5.00 107.32 103.43 3k1q s GLY 1106Ca 0.70 3.64 0.04 0.00 0.00 0.00 0.00 44.72 49.10 3k1q s GLY 1106CO 0.31 2.23 0.13 -0.42 0.00 0.00 0.00 173.10 175.34 3k1q s ILE 1107N 0.37 2.38 -0.18 0.90 1.09 -1.26 -1.73 121.20 122.77 3k1q s ILE 1107Ca 0.02 -2.71 -0.19 0.00 -1.10 0.00 0.00 60.65 56.67 3k1q s ILE 1107Cb -0.04 -2.72 -0.03 0.00 -1.06 0.00 0.00 42.46 38.60 3k1q s ILE 1107CO -0.14 -0.68 0.52 -0.36 -0.10 0.00 0.00 174.94 174.19 3k1q s PHE 1108N 0.45 3.41 -0.21 3.97 0.08 -0.16 -4.78 117.98 120.74 3k1q s PHE 1108Ca 0.13 0.82 -0.21 0.00 0.12 0.00 0.00 56.93 57.78 3k1q s PHE 1108Cb -0.22 -2.66 -0.02 0.00 -0.57 0.00 0.00 43.02 39.56 3k1q s PHE 1108CO -0.05 -0.05 0.66 0.16 -0.10 0.00 0.00 175.22 175.85 3k1q s ASP 1109N 1.04 6.70 -0.08 1.36 1.47 0.30 0.53 116.67 127.99 3k1q s ASP 1109Ca 0.25 0.86 0.01 0.00 1.18 0.00 0.00 52.55 54.85 3k1q s ASP 1109Cb -0.15 -2.36 -0.03 0.00 -0.34 0.00 0.00 42.92 40.04 3k1q s ASP 1109CO 0.10 -0.32 -0.08 -0.69 0.68 0.00 0.00 175.17 174.86 3k1q s VAL 1110N 2.10 3.59 0.17 2.11 1.01 -0.17 -0.32 120.40 128.88 3k1q s VAL 1110Ca 0.30 -0.51 0.09 0.00 0.00 0.00 0.00 61.98 61.86 3k1q s VAL 1110Cb -0.16 -2.47 -0.04 0.00 0.00 0.00 0.00 36.38 33.71 3k1q s VAL 1110CO 0.10 0.58 -0.20 0.12 0.00 0.00 0.00 175.10 175.70 3k1q s PHE 1111N -0.61 1.98 -0.12 5.22 2.19 -1.03 -0.32 117.98 125.28 3k1q s PHE 1111Ca 0.09 -0.43 -0.29 0.00 0.33 0.00 0.00 56.93 56.63 3k1q s PHE 1111Cb -0.12 -0.99 -0.03 0.00 -1.31 0.00 0.00 43.02 40.58 3k1q s PHE 1111CO 0.02 0.38 1.40 -0.51 1.83 0.00 0.00 175.22 178.34 3k1q s LEU 1112N -2.63 4.24 -0.24 6.12 1.02 -0.99 -4.63 118.68 121.57 3k1q s LEU 1112Ca 0.17 1.90 -0.07 0.00 0.02 0.00 0.00 54.13 56.15 3k1q s LEU 1112Cb -0.07 -3.54 -0.03 0.00 0.02 0.00 0.00 46.19 42.58 3k1q s LEU 1112CO 0.08 -0.81 0.06 0.28 0.02 0.00 0.00 176.35 175.97 3k1q s THR 1113N 3.58 4.27 -0.30 5.49 -1.32 -1.26 -4.58 115.64 121.52 3k1q s THR 1113Ca 0.61 -0.19 -0.15 0.00 -1.21 0.00 0.00 61.69 60.75 3k1q s THR 1113Cb -0.26 -2.98 0.16 0.00 -1.51 0.00 0.00 72.50 67.91 3k1q s THR 1113CO 0.20 0.36 0.99 -0.89 -2.21 0.00 0.00 174.62 173.08 3k1q s THR 1114N 1.42 -0.34 0.00 5.08 2.01 -1.26 -4.16 115.64 118.39 3k1q s THR 1114Ca 0.05 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.05 3k1q s THR 1114Cb -0.15 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.36 3k1q s THR 1114CO 0.03 0.00 0.00 0.18 -0.69 0.00 0.00 174.62 174.14 3k1q n LEU 1115N 4.55 0.00 0.04 4.42 4.77 -1.26 -2.73 117.00 126.79 3k1q n LEU 1115Ca -0.12 0.00 0.07 0.00 -0.03 0.00 0.00 56.01 55.93 3k1q n LEU 1115Cb 0.54 0.00 0.30 0.00 -2.33 0.00 0.00 43.42 41.93 3k1q n LEU 1115CO -0.02 0.00 0.71 0.61 -1.33 0.00 0.00 177.39 177.36 3k1q n GLY 1116N 0.00 -0.92 3.32 -0.72 0.00 -1.26 -4.97 105.19 100.64 3k1q n GLY 1116Ca 0.00 0.01 -0.12 0.00 0.00 0.00 0.00 46.02 45.92 3k1q n GLY 1116CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3k1q n GLN 1117N -1.71 -1.53 -2.61 1.61 1.13 -1.10 -4.98 117.38 108.18 3k1q n GLN 1117Ca 0.02 1.30 -0.40 0.00 -1.94 0.00 0.00 57.00 55.98 3k1q n GLN 1117Cb 0.13 -4.34 -0.05 0.00 0.11 0.00 0.00 30.24 26.09 3k1q n GLN 1117CO 0.00 0.00 0.00 -2.14 -1.44 0.00 0.00 177.06 173.48 3k1q s PRO 1118N -3.60 4.71 -0.69 -1.09 0.02 -1.26 -4.96 135.00 128.12 3k1q s PRO 1118Ca 0.05 1.63 -0.26 0.00 0.02 0.00 0.00 61.00 62.44 3k1q s PRO 1118Cb -0.01 -3.17 -0.12 0.00 0.02 0.00 0.00 34.50 31.22 3k1q s PRO 1118CO 0.81 0.33 2.42 -0.35 -0.33 0.00 0.00 177.00 179.88 3k1q n PRO 1119N 1.22 0.71 -3.64 5.54 -0.04 -1.26 -4.74 135.00 132.78 3k1q n PRO 1119Ca -0.01 -0.50 -0.07 0.00 -0.04 0.00 0.00 63.50 62.87 3k1q n PRO 1119Cb 0.46 -3.49 -0.07 0.00 -0.04 0.00 0.00 33.50 30.36 3k1q n PRO 1119CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3k1q s VAL 1120N 13.38 0.00 0.29 0.52 0.11 -1.26 -5.02 120.40 128.42 3k1q s VAL 1120Ca 0.97 0.00 0.04 0.00 -2.93 0.00 0.00 61.98 60.06 3k1q s VAL 1120Cb -0.19 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.63 3k1q s VAL 1120CO 0.17 0.00 0.43 -2.16 -3.33 0.00 0.00 175.10 170.21 3k1q s PRO 1121N 1.37 3.40 -0.22 1.54 0.04 -1.26 -2.36 135.00 137.50 3k1q s PRO 1121Ca -0.08 -0.67 0.09 0.00 0.04 0.00 0.00 61.00 60.38 3k1q s PRO 1121Cb -0.05 -2.81 -0.20 0.00 0.04 0.00 0.00 34.50 31.49 3k1q s PRO 1121CO -0.16 0.29 -0.09 -2.13 0.04 0.00 0.00 177.00 174.95 3k1q n ARG 1122N -1.56 0.72 -1.59 4.56 0.63 0.56 -4.79 116.66 115.19 3k1q n ARG 1122Ca -0.06 0.07 0.00 0.00 -0.92 0.00 0.00 57.85 56.94 3k1q n ARG 1122Cb 0.57 -1.50 0.00 0.00 0.45 0.00 0.00 32.46 31.98 3k1q n ARG 1122CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3k1q n GLY 1123N 2.09 0.22 3.30 5.14 0.00 -1.20 -4.20 105.19 110.53 3k1q n GLY 1123Ca -0.38 -1.61 -0.33 0.00 0.00 0.00 0.00 46.02 43.69 3k1q n GLY 1123CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3k1q s SER 1124N -4.00 3.90 -0.16 1.61 1.04 -1.07 -1.00 113.70 114.02 3k1q s SER 1124Ca 0.00 -0.41 -0.04 0.00 0.48 0.00 0.00 55.95 55.98 3k1q s SER 1124Cb 0.00 -1.62 -0.03 0.00 0.10 0.00 0.00 66.02 64.48 3k1q s SER 1124CO 0.00 0.08 -0.02 0.12 0.98 0.00 0.00 173.24 174.40 3k1q s PHE 1125N 0.83 3.06 -0.29 5.02 5.36 0.19 -4.82 117.98 127.33 3k1q s PHE 1125Ca -0.04 -0.25 -0.09 0.00 -0.96 0.00 0.00 56.93 55.59 3k1q s PHE 1125Cb -0.15 -1.98 -0.02 0.00 -0.34 0.00 0.00 43.02 40.53 3k1q s PHE 1125CO 0.00 -0.02 0.14 0.95 -1.46 0.00 0.00 175.22 174.84 3k1q s THR 1126N 0.39 4.69 -0.00 0.12 -4.23 -1.26 -0.99 115.64 114.36 3k1q s THR 1126Ca -0.03 -0.24 -0.13 0.00 -1.18 0.00 0.00 61.69 60.11 3k1q s THR 1126Cb -0.14 -3.31 -0.05 0.00 1.34 0.00 0.00 72.50 70.33 3k1q s THR 1126CO 0.02 0.17 0.37 -0.63 -0.54 0.00 0.00 174.62 174.01 3k1q s ILE 1127N 1.65 5.10 -0.08 2.99 -1.09 -0.71 -4.72 121.20 124.34 3k1q s ILE 1127Ca 0.06 0.68 0.05 0.00 -2.23 0.00 0.00 60.65 59.21 3k1q s ILE 1127Cb -0.16 -3.66 -0.00 0.00 -1.58 0.00 0.00 42.46 37.05 3k1q s ILE 1127CO 0.07 0.53 -0.24 0.42 -1.23 0.00 0.00 174.94 174.49 3k1q s THR 1128N -1.13 2.05 0.39 2.92 -4.23 -1.24 -3.41 115.64 111.00 3k1q s THR 1128Ca 0.24 -1.04 -0.27 0.00 -1.18 0.00 0.00 61.69 59.44 3k1q s THR 1128Cb -0.16 -1.75 -0.10 0.00 1.34 0.00 0.00 72.50 71.84 3k1q s THR 1128CO 0.13 0.56 1.41 -2.84 -0.54 0.00 0.00 174.62 173.34 3k1q s PRO 1129N 0.10 4.02 0.31 3.99 0.02 -0.95 -2.30 135.00 140.19 3k1q s PRO 1129Ca -0.12 2.40 -0.27 0.00 0.02 0.00 0.00 61.00 63.03 3k1q s PRO 1129Cb -0.16 -2.87 -0.10 0.00 0.02 0.00 0.00 34.50 31.39 3k1q s PRO 1129CO 0.06 -0.54 0.96 -1.25 -0.33 0.00 0.00 177.00 175.91 3k1q s PRO 1130N -2.16 4.61 -0.52 5.54 0.04 -1.26 -4.83 135.00 136.43 3k1q s PRO 1130Ca 0.55 1.41 -0.27 0.00 0.04 0.00 0.00 61.00 62.73 3k1q s PRO 1130Cb -0.43 -2.91 -0.02 0.00 0.04 0.00 0.00 34.50 31.18 3k1q s PRO 1130CO 0.57 0.29 1.82 -2.14 0.04 0.00 0.00 177.00 177.58 3k1q s PRO 1131N -1.86 2.88 -0.46 0.56 0.02 -1.26 -4.94 135.00 129.93 3k1q s PRO 1131Ca 0.48 0.86 -0.07 0.00 0.02 0.00 0.00 61.00 62.30 3k1q s PRO 1131Cb -0.21 -4.31 0.12 0.00 0.02 0.00 0.00 34.50 30.11 3k1q s PRO 1131CO 0.27 -2.42 0.31 0.99 -0.33 0.00 0.00 177.00 175.81 3k1q s THR 1132N 8.27 3.87 -0.08 0.99 2.01 -1.26 -4.84 115.64 124.61 3k1q s THR 1132Ca 0.70 -1.96 0.00 0.00 0.31 0.00 0.00 61.69 60.74 3k1q s THR 1132Cb -0.15 -3.58 -0.03 0.00 0.01 0.00 0.00 72.50 68.75 3k1q s THR 1132CO 0.25 -0.76 -0.06 0.42 -0.69 0.00 0.00 174.62 173.78 3k1q s THR 1133N 1.18 3.77 -0.17 -0.82 -4.23 -1.26 -4.88 115.64 109.23 3k1q s THR 1133Ca 0.07 -0.45 0.01 0.00 -1.18 0.00 0.00 61.69 60.15 3k1q s THR 1133Cb -0.24 -2.56 0.02 0.00 1.34 0.00 0.00 72.50 71.06 3k1q s THR 1133CO -0.02 0.59 -0.16 0.54 -0.54 0.00 0.00 174.62 175.02 3k1q s VAL 1134N -0.67 1.82 -0.09 2.29 0.11 -1.26 -3.10 120.40 119.50 3k1q s VAL 1134Ca 0.10 -0.84 -0.00 0.00 -2.93 0.00 0.00 61.98 58.31 3k1q s VAL 1134Cb -0.11 -1.70 0.02 0.00 -1.53 0.00 0.00 36.38 33.06 3k1q s VAL 1134CO 0.02 0.45 -0.06 0.00 -3.33 0.00 0.00 175.10 172.18 3k1q s ALA 1135N 1.38 1.14 0.16 1.54 0.00 0.70 -4.74 121.76 121.93 3k1q s ALA 1135Ca 0.04 -0.41 -0.30 0.00 0.00 0.00 0.00 51.96 51.29 3k1q s ALA 1135Cb -0.13 -0.80 -0.08 0.00 0.00 0.00 0.00 23.12 22.11 3k1q s ALA 1135CO -0.11 -0.34 1.21 -1.17 0.00 0.00 0.00 175.76 175.35 3k1q s LEU 1136N 1.59 4.43 0.09 0.00 2.96 -1.26 -0.03 118.68 126.46 3k1q s LEU 1136Ca 0.02 2.19 0.06 0.00 -0.22 0.00 0.00 54.13 56.18 3k1q s LEU 1136Cb -0.13 -3.60 -0.04 0.00 0.50 0.00 0.00 46.19 42.92 3k1q s LEU 1136CO -0.06 -0.40 -0.07 0.20 -1.32 0.00 0.00 176.35 174.70 3k1q s ASN 1137N 0.36 4.58 0.45 3.68 0.01 0.11 -4.98 114.94 119.15 3k1q s ASN 1137Ca 0.55 -0.31 -0.24 0.00 -0.71 0.00 0.00 52.86 52.15 3k1q s ASN 1137Cb -0.32 -0.95 -0.08 0.00 0.41 0.00 0.00 41.25 40.31 3k1q s ASN 1137CO 0.35 0.19 1.21 -0.04 -1.51 0.00 0.00 177.10 177.29 3k1q s MET 1138N -2.17 3.80 0.07 -0.60 -1.94 -1.26 -2.78 119.30 114.41 3k1q s MET 1138Ca 0.22 1.90 -0.31 0.00 -1.71 0.00 0.00 55.69 55.80 3k1q s MET 1138Cb -0.11 -2.51 -0.09 0.00 2.01 0.00 0.00 34.83 34.12 3k1q s MET 1138CO 0.14 -0.56 1.84 -2.14 -0.01 0.00 0.00 175.02 174.30 3k1q s PRO 1139N -2.55 4.15 0.10 2.03 0.02 -1.18 -4.53 135.00 133.04 3k1q s PRO 1139Ca 0.62 2.54 -0.22 0.00 0.02 0.00 0.00 61.00 63.95 3k1q s PRO 1139Cb -0.32 -3.82 -0.10 0.00 0.02 0.00 0.00 34.50 30.28 3k1q s PRO 1139CO 0.39 -0.87 1.72 -1.35 -0.33 0.00 0.00 177.00 176.57 3k1q h PRO 1140N 9.31 -0.05 -6.81 5.54 0.11 -1.94 -3.40 132.00 134.76 3k1q h PRO 1140Ca -0.46 0.00 -0.51 0.00 0.11 0.00 0.00 66.00 65.15 3k1q h PRO 1140Cb 1.22 0.01 0.02 0.00 0.11 0.00 0.00 31.00 32.36 3k1q h PRO 1140CO 0.94 -0.03 0.49 -2.14 -0.21 0.00 0.00 178.00 177.05 3k1q s PRO 1141N -6.19 4.62 0.00 1.05 0.02 -1.26 -4.95 135.00 128.30 3k1q s PRO 1141Ca -0.13 1.84 0.00 0.00 0.02 0.00 0.00 61.00 62.72 3k1q s PRO 1141Cb 0.08 -3.18 0.00 0.00 0.02 0.00 0.00 34.50 31.41 3k1q s PRO 1141CO 0.67 0.18 0.12 0.54 -0.33 0.00 0.00 177.00 178.17 3k1q n ARG 1142N 1.17 0.11 -5.28 5.54 3.00 -1.26 -4.83 116.66 115.10 3k1q n ARG 1142Ca -0.01 0.00 -0.31 0.00 -0.01 0.00 0.00 57.85 57.52 3k1q n ARG 1142Cb 0.45 -1.44 -0.16 0.00 0.00 0.00 0.00 32.46 31.30 3k1q n ARG 1142CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.63 176.98 3k1q s GLN 1143N 0.93 2.35 -0.84 5.56 -1.52 -1.26 -5.08 119.66 119.79 3k1q s GLN 1143Ca 0.00 -0.91 -0.16 0.00 -1.95 0.00 0.00 55.36 52.34 3k1q s GLN 1143Cb 0.00 -2.10 0.19 0.00 -0.22 0.00 0.00 33.01 30.87 3k1q s GLN 1143CO 0.00 0.46 0.87 -1.17 -0.25 0.00 0.00 175.29 175.20 3k1q s LEU 1144N -0.36 6.19 -1.26 2.90 2.96 -1.26 -4.98 118.68 122.86 3k1q s LEU 1144Ca 0.02 -2.43 -0.15 0.00 -0.22 0.00 0.00 54.13 51.35 3k1q s LEU 1144Cb -0.12 -2.27 -0.03 0.00 0.50 0.00 0.00 46.19 44.27 3k1q s LEU 1144CO 0.02 -0.75 2.22 -0.67 -1.32 0.00 0.00 176.35 175.85 3k1q n ASP 1145N 4.86 4.10 -1.81 3.68 2.03 -1.26 -4.84 116.55 123.31 3k1q n ASP 1145Ca 0.15 -2.74 -0.02 0.00 0.52 0.00 0.00 54.79 52.71 3k1q n ASP 1145Cb 0.47 -1.47 -0.03 0.00 -0.72 0.00 0.00 41.12 39.38 3k1q n ASP 1145CO 0.00 0.00 0.00 0.33 -1.92 0.00 0.00 177.20 175.61 3k1q n PHE 1146N 6.09 0.00 -3.38 -0.67 -0.00 -1.26 -3.68 117.46 114.55 3k1q n PHE 1146Ca 0.54 -0.74 0.00 0.00 -0.00 0.00 0.00 57.45 57.25 3k1q n PHE 1146Cb 0.36 -0.62 0.00 0.00 -0.00 0.00 0.00 39.48 39.22 3k1q n PHE 1146CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.76 177.01 3k1q n THR 1147N 1.94 0.00 0.19 -2.13 -2.24 -1.26 -4.74 114.28 106.04 3k1q n THR 1147Ca 0.07 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.88 3k1q n THR 1147Cb 0.40 0.00 0.37 0.00 -2.10 0.00 0.00 70.33 69.00 3k1q n THR 1147CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3k1q h ASP 1148N 0.00 0.00 0.47 3.42 5.19 -1.98 -2.17 116.42 121.35 3k1q h ASP 1148Ca 0.00 0.00 -0.18 0.00 -0.62 0.00 0.00 57.03 56.23 3k1q h ASP 1148Cb 0.00 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.50 3k1q h ASP 1148CO 0.00 0.36 -0.77 0.58 -3.12 0.00 0.00 179.24 176.29 3k1q h VAL 1149N 0.00 1.44 -0.45 -1.35 2.07 -1.97 -3.46 116.25 112.53 3k1q h VAL 1149Ca -0.00 -2.34 0.00 0.00 0.82 0.00 0.00 66.70 65.17 3k1q h VAL 1149Cb 0.64 2.27 0.00 0.00 -1.52 0.00 0.00 31.29 32.68 3k1q h VAL 1149CO 0.05 0.69 0.00 0.61 0.02 0.00 0.00 177.57 178.93 3k1q n GLY 1150N 0.63 0.79 2.97 2.17 0.00 -0.82 -4.62 105.19 106.31 3k1q n GLY 1150Ca -0.03 -0.81 -0.10 0.00 0.00 0.00 0.00 46.02 45.08 3k1q n GLY 1150CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3k1q s ASN 1151N -4.00 0.23 -0.88 1.61 4.22 -0.79 -4.72 114.94 110.61 3k1q s ASN 1151Ca 0.00 -0.44 -0.26 0.00 -2.14 0.00 0.00 52.86 50.02 3k1q s ASN 1151Cb 0.00 0.08 -0.15 0.00 1.28 0.00 0.00 41.25 42.47 3k1q s ASN 1151CO 0.00 -0.26 2.28 -0.62 -2.04 0.00 0.00 177.10 176.46 3k1q s ASP 1152N -1.27 3.95 -1.10 3.54 3.68 -1.22 -3.06 116.67 121.18 3k1q s ASP 1152Ca -0.14 -0.31 -0.08 0.00 2.13 0.00 0.00 52.55 54.16 3k1q s ASP 1152Cb -0.09 -2.56 0.28 0.00 -1.45 0.00 0.00 42.92 39.10 3k1q s ASP 1152CO -0.01 -3.94 1.19 0.00 0.13 0.00 0.00 175.17 172.54 3k1q n ALA 1153N 18.30 4.43 -1.12 3.66 0.00 0.12 -3.12 120.51 142.78 3k1q n ALA 1153Ca 0.45 -4.70 -0.37 0.00 0.00 0.00 0.00 53.44 48.83 3k1q n ALA 1153Cb 0.44 -2.41 0.05 0.00 0.00 0.00 0.00 19.45 17.54 3k1q n ALA 1153CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3k1q n ARG 1154N 2.36 0.05 -5.19 0.00 1.74 -1.12 -2.17 116.66 112.33 3k1q n ARG 1154Ca 0.24 0.04 -0.30 0.00 -0.77 0.00 0.00 57.85 57.06 3k1q n ARG 1154Cb 0.38 -1.32 -0.16 0.00 -1.02 0.00 0.00 32.46 30.33 3k1q n ARG 1154CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3k1q s ILE 1155N -2.02 1.94 -0.46 0.55 1.09 0.48 0.09 121.20 122.87 3k1q s ILE 1155Ca 0.54 -1.01 -0.05 0.00 -1.10 0.00 0.00 60.65 59.02 3k1q s ILE 1155Cb -0.32 -1.64 0.12 0.00 -1.06 0.00 0.00 42.46 39.56 3k1q s ILE 1155CO 0.70 0.54 0.28 -0.89 -0.10 0.00 0.00 174.94 175.47 3k1q s THR 1156N -0.18 3.69 -0.03 2.92 2.01 0.95 -3.29 115.64 121.71 3k1q s THR 1156Ca -0.02 -2.04 0.04 0.00 0.31 0.00 0.00 61.69 59.98 3k1q s THR 1156Cb -0.13 -3.47 -0.00 0.00 0.01 0.00 0.00 72.50 68.90 3k1q s THR 1156CO 0.03 -0.74 -0.14 0.00 -0.69 0.00 0.00 174.62 173.08 3k1q s ASP 1158N -0.05 6.46 -1.05 0.00 1.11 -1.18 -4.90 116.67 117.07 3k1q s ASP 1158Ca -0.00 2.68 -0.26 0.00 0.18 0.00 0.00 52.55 55.14 3k1q s ASP 1158Cb -0.09 -2.55 -0.22 0.00 1.07 0.00 0.00 42.92 41.13 3k1q s ASP 1158CO 0.01 -1.01 2.06 -0.81 1.18 0.00 0.00 175.17 176.60 3k1q n PRO 1159N 6.35 0.38 -0.01 8.23 -0.04 -1.26 -4.60 135.00 144.04 3k1q n PRO 1159Ca 0.18 -1.81 -0.01 0.00 -0.04 0.00 0.00 63.50 61.81 3k1q n PRO 1159Cb 0.40 -3.83 -0.01 0.00 -0.04 0.00 0.00 33.50 30.01 3k1q n PRO 1159CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3k1q n TYR 1160N 18.37 0.00 -3.77 0.54 4.02 -1.26 -5.12 117.16 129.94 3k1q n TYR 1160Ca 0.42 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 58.18 3k1q n TYR 1160Cb 0.47 -0.08 -0.14 0.00 -0.02 0.00 0.00 39.34 39.57 3k1q n TYR 1160CO 0.00 0.00 0.00 1.52 -1.01 0.00 0.00 176.86 177.37 3k1q s TYR 1161N -2.04 -0.16 -0.03 -0.72 -0.85 -1.26 -4.64 117.35 107.64 3k1q s TYR 1161Ca -0.03 0.45 0.06 0.00 -0.52 0.00 0.00 57.07 57.03 3k1q s TYR 1161Cb 0.01 -0.05 -0.01 0.00 0.38 0.00 0.00 41.96 42.28 3k1q s TYR 1161CO 0.05 -0.14 -0.23 -1.14 -1.52 0.00 0.00 175.55 172.57 3k1q s GLN 1162N 0.90 2.06 -0.51 -3.49 2.00 -1.26 -4.84 119.66 114.52 3k1q s GLN 1162Ca -0.07 -0.81 -0.01 0.00 -2.00 0.00 0.00 55.36 52.47 3k1q s GLN 1162Cb -0.09 -1.87 -0.01 0.00 0.80 0.00 0.00 33.01 31.84 3k1q s GLN 1162CO -0.04 0.42 0.47 -0.11 -0.50 0.00 0.00 175.29 175.53 3k1q n LEU 1163N 2.75 -4.78 -2.26 3.68 7.94 -1.26 -4.92 117.00 118.14 3k1q n LEU 1163Ca -0.17 -0.15 -0.29 0.00 -1.11 0.00 0.00 56.01 54.29 3k1q n LEU 1163Cb 0.52 -2.37 0.03 0.00 0.53 0.00 0.00 43.42 42.14 3k1q n LEU 1163CO 0.24 -0.49 0.64 0.00 -1.11 0.00 0.00 177.39 176.67 3k1q n ALA 1164N -1.78 5.51 -3.05 1.96 0.00 -1.26 -4.77 120.51 117.13 3k1q n ALA 1164Ca -0.01 -3.83 -0.31 0.00 0.00 0.00 0.00 53.44 49.28 3k1q n ALA 1164Cb 0.52 -0.89 -0.17 0.00 0.00 0.00 0.00 19.45 18.91 3k1q n ALA 1164CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3k1q s VAL 1165N -4.87 1.96 0.11 0.00 1.01 -1.26 0.35 120.40 117.70 3k1q s VAL 1165Ca 0.54 -0.99 -0.11 0.00 0.00 0.00 0.00 61.98 61.43 3k1q s VAL 1165Cb 0.44 -1.69 0.01 0.00 0.00 0.00 0.00 36.38 35.14 3k1q s VAL 1165CO -0.06 0.54 0.26 0.00 0.00 0.00 0.00 175.10 175.85 3k1q n ILE 1167N -0.12 0.00 -5.16 0.00 -5.35 0.19 -0.45 119.36 108.46 3k1q n ILE 1167Ca -0.15 0.00 -0.30 0.00 -0.27 0.00 0.00 62.75 62.04 3k1q n ILE 1167Cb 0.63 0.00 -0.16 0.00 -1.74 0.00 0.00 39.64 38.37 3k1q n ILE 1167CO 0.00 0.00 0.00 0.12 -1.76 0.00 0.00 176.55 174.91 3k1q s PHE 1168N -0.06 2.17 -0.03 4.28 5.36 -1.26 -0.25 117.98 128.19 3k1q s PHE 1168Ca 0.00 -0.52 0.06 0.00 -0.96 0.00 0.00 56.93 55.51 3k1q s PHE 1168Cb 0.00 -1.42 -0.01 0.00 -0.34 0.00 0.00 43.02 41.25 3k1q s PHE 1168CO 0.00 -0.12 -0.22 0.21 -1.46 0.00 0.00 175.22 173.63 3k1q s LYS 1169N -0.34 2.00 0.00 10.12 2.20 0.89 -4.47 119.74 130.14 3k1q s LYS 1169Ca 0.03 -0.79 0.00 0.00 -0.36 0.00 0.00 55.97 54.85 3k1q s LYS 1169Cb -0.11 -1.82 0.00 0.00 -1.51 0.00 0.00 37.83 34.39 3k1q s LYS 1169CO 0.01 0.41 0.00 -3.47 -0.36 0.00 0.00 175.35 171.94 3k1q n ASP 1170N 2.75 0.00 0.00 1.43 2.03 -1.26 0.06 116.55 121.56 3k1q n ASP 1170Ca -0.16 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.15 3k1q n ASP 1170Cb 0.52 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.92 3k1q n ASP 1170CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3k1q n GLY 1171N 0.00 2.97 0.00 0.27 0.00 -1.26 -2.01 105.19 105.16 3k1q n GLY 1171Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.87 3k1q n GLY 1171CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k1q n GLN 1172N 0.00 3.87 -5.05 1.61 10.64 0.11 -5.07 117.38 123.49 3k1q n GLN 1172Ca 0.00 0.00 -0.28 0.00 -1.83 0.00 0.00 57.00 54.89 3k1q n GLN 1172Cb 0.00 0.00 -0.16 0.00 -0.86 0.00 0.00 30.24 29.22 3k1q n GLN 1172CO 0.00 0.00 0.00 0.71 -1.83 0.00 0.00 177.06 175.94 3k1q s TYR 1173N 2.26 1.94 -0.22 2.61 1.51 -1.25 -0.08 117.35 124.11 3k1q s TYR 1173Ca 0.00 -0.41 -0.08 0.00 -1.01 0.00 0.00 57.07 55.57 3k1q s TYR 1173Cb 0.00 -1.26 -0.04 0.00 -0.11 0.00 0.00 41.96 40.56 3k1q s TYR 1173CO 0.00 -0.07 0.08 0.54 -1.11 0.00 0.00 175.55 174.99 3k1q s VAL 1174N -0.40 4.61 0.30 0.71 0.11 0.65 -4.58 120.40 121.81 3k1q s VAL 1174Ca 0.06 -0.08 -0.29 0.00 -2.93 0.00 0.00 61.98 58.73 3k1q s VAL 1174Cb -0.09 -3.12 -0.10 0.00 -1.53 0.00 0.00 36.38 31.53 3k1q s VAL 1174CO -0.00 0.38 1.24 -0.13 -3.33 0.00 0.00 175.10 173.26 3k1q s ARG 1175N 1.10 4.45 0.76 1.54 1.81 -0.72 -0.64 118.95 127.26 3k1q s ARG 1175Ca 0.05 2.07 -0.16 0.00 -1.72 0.00 0.00 55.73 55.97 3k1q s ARG 1175Cb -0.14 -3.12 -0.04 0.00 -0.45 0.00 0.00 34.95 31.20 3k1q s ARG 1175CO 0.03 -0.07 0.41 1.55 -0.68 0.00 0.00 175.30 176.55 3k1q n VAL 1176N 1.11 1.32 -1.66 3.52 3.14 -1.13 -4.51 118.33 120.12 3k1q n VAL 1176Ca 0.00 -0.37 -0.47 0.00 -2.96 0.00 0.00 64.34 60.54 3k1q n VAL 1176Cb 0.43 -0.65 -0.04 0.00 -1.06 0.00 0.00 33.84 32.52 3k1q n VAL 1176CO 0.00 0.00 0.00 -3.20 -6.46 0.00 0.00 176.83 167.17 3k1q n ASN 1177N -0.14 2.99 0.25 6.55 2.85 -1.26 -3.43 115.26 123.07 3k1q n ASN 1177Ca 0.09 1.08 0.17 0.00 -0.11 0.00 0.00 54.58 55.80 3k1q n ASN 1177Cb 0.51 -1.40 0.70 0.00 1.24 0.00 0.00 39.78 40.82 3k1q n ASN 1177CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 3k1q h PRO 1178N 5.98 0.00 0.23 1.20 0.13 -1.81 -3.27 132.00 134.45 3k1q h PRO 1178Ca -0.45 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.67 3k1q h PRO 1178Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 3k1q h PRO 1178CO 0.88 0.00 -0.11 0.93 -0.23 0.00 0.00 178.00 179.47 3k1q h GLU 1179N 0.00 -0.30 0.00 0.86 5.08 -1.91 -3.40 114.58 114.91 3k1q h GLU 1179Ca 0.00 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 3k1q h GLU 1179Cb 0.42 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.74 3k1q h GLU 1179CO 0.00 0.02 0.00 1.57 -1.00 0.00 0.00 179.01 179.60 3k1q h LYS 1180N -0.96 0.00 -1.49 2.33 2.10 -1.91 -3.35 116.57 113.28 3k1q h LYS 1180Ca -0.03 0.00 -0.62 0.00 -2.00 0.00 0.00 60.65 58.00 3k1q h LYS 1180Cb 0.47 0.00 -0.39 0.00 -0.90 0.00 0.00 32.23 31.41 3k1q h LYS 1180CO 0.05 0.00 -0.35 0.00 -2.00 0.00 0.00 179.45 177.15 3k1q n ALA 1181N -2.02 5.38 -2.39 0.07 0.00 -1.23 -1.84 120.51 118.48 3k1q n ALA 1181Ca 0.03 -4.19 -0.37 0.00 0.00 0.00 0.00 53.44 48.91 3k1q n ALA 1181Cb 0.41 -0.82 -0.03 0.00 0.00 0.00 0.00 19.45 19.01 3k1q n ALA 1181CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3k1q s SER 1182N -3.04 6.13 -0.46 0.00 0.01 -1.22 -4.76 113.70 110.36 3k1q s SER 1182Ca 0.50 -1.93 -0.27 0.00 1.31 0.00 0.00 55.95 55.56 3k1q s SER 1182Cb 0.41 -2.58 -0.02 0.00 0.21 0.00 0.00 66.02 64.04 3k1q s SER 1182CO -0.20 -1.90 1.87 -0.69 0.41 0.00 0.00 173.24 172.73 3k1q s VAL 1183N 6.79 3.39 0.09 3.43 1.01 -1.26 -0.35 120.40 133.50 3k1q s VAL 1183Ca 0.58 0.33 0.03 0.00 0.00 0.00 0.00 61.98 62.93 3k1q s VAL 1183Cb 0.01 -3.72 -0.04 0.00 0.00 0.00 0.00 36.38 32.64 3k1q s VAL 1183CO 0.06 -0.59 -0.09 0.54 0.00 0.00 0.00 175.10 175.03 3k1q s VAL 1184N 8.19 0.80 0.18 2.92 0.11 0.58 -4.44 120.40 128.74 3k1q s VAL 1184Ca 0.76 -1.65 0.00 0.00 -2.93 0.00 0.00 61.98 58.15 3k1q s VAL 1184Cb -0.18 -1.35 0.00 0.00 -1.53 0.00 0.00 36.38 33.32 3k1q s VAL 1184CO 0.28 -0.64 0.00 0.35 -3.33 0.00 0.00 175.10 171.76 3k1q n THR 1185N 0.49 -1.20 -0.86 5.04 -2.24 -1.26 -2.55 114.28 111.70 3k1q n THR 1185Ca -0.16 0.52 -0.09 0.00 -2.27 0.00 0.00 64.05 62.06 3k1q n THR 1185Cb 0.58 -0.82 -0.12 0.00 -2.10 0.00 0.00 70.33 67.86 3k1q n THR 1185CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 3k1q n ASN 1186N -1.68 5.19 -2.93 3.42 6.94 -1.26 -4.40 115.26 120.55 3k1q n ASN 1186Ca 0.00 -2.45 -0.11 0.00 -0.02 0.00 0.00 54.58 52.01 3k1q n ASN 1186Cb 0.12 -1.33 0.06 0.00 -2.36 0.00 0.00 39.78 36.28 3k1q n ASN 1186CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3k1q n ALA 1187N 2.25 -0.22 -1.38 -2.53 0.00 -1.26 -4.95 120.51 112.42 3k1q n ALA 1187Ca 0.31 -0.76 -0.50 0.00 0.00 0.00 0.00 53.44 52.49 3k1q n ALA 1187Cb 0.80 0.06 -0.13 0.00 0.00 0.00 0.00 19.45 20.18 3k1q n ALA 1187CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3k1q n PRO 1188N -1.92 0.12 0.00 0.00 -0.02 -1.26 -4.71 135.00 127.21 3k1q n PRO 1188Ca 0.07 0.02 0.00 0.00 -2.02 0.00 0.00 63.50 61.57 3k1q n PRO 1188Cb 0.24 -1.65 0.00 0.00 -0.02 0.00 0.00 33.50 32.07 3k1q n PRO 1188CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 3k1q n ASN 1189N 9.27 0.00 -4.01 2.55 2.85 -1.26 -4.35 115.26 120.31 3k1q n ASN 1189Ca 0.58 0.00 -0.31 0.00 -0.11 0.00 0.00 54.58 54.74 3k1q n ASN 1189Cb 0.03 0.00 -0.16 0.00 1.24 0.00 0.00 39.78 40.89 3k1q n ASN 1189CO 0.00 0.00 0.00 -0.13 -2.11 0.00 0.00 177.26 175.02 3k1q s ARG 1190N 0.00 2.15 -0.38 1.20 0.52 -1.21 -4.84 118.95 116.40 3k1q s ARG 1190Ca 0.00 -0.82 -0.07 0.00 -0.52 0.00 0.00 55.73 54.31 3k1q s ARG 1190Cb 0.00 -2.40 0.06 0.00 0.52 0.00 0.00 34.95 33.13 3k1q s ARG 1190CO 0.00 -0.39 0.18 0.34 0.02 0.00 0.00 175.30 175.46 3k1q s ASP 1191N 1.39 5.45 -0.39 0.23 -1.08 -1.06 -0.39 116.67 120.82 3k1q s ASP 1191Ca -0.00 -1.41 -0.25 0.00 -0.52 0.00 0.00 52.55 50.38 3k1q s ASP 1191Cb -0.16 -1.92 0.02 0.00 -1.46 0.00 0.00 42.92 39.40 3k1q s ASP 1191CO -0.09 -0.44 0.87 -0.22 0.52 0.00 0.00 175.17 175.81 3k1q s LEU 1192N 1.38 4.06 -0.81 -1.34 2.96 -0.92 -0.31 118.68 123.70 3k1q s LEU 1192Ca 0.02 0.38 -0.08 0.00 -0.22 0.00 0.00 54.13 54.22 3k1q s LEU 1192Cb -0.21 -3.15 0.21 0.00 0.50 0.00 0.00 46.19 43.53 3k1q s LEU 1192CO 0.02 -0.86 0.70 -2.28 -1.32 0.00 0.00 176.35 172.62 3k1q s HIS 1193N 3.39 3.72 -0.28 5.38 2.46 0.52 0.13 115.29 130.62 3k1q s HIS 1193Ca 0.35 -2.46 -0.11 0.00 0.47 0.00 0.00 55.06 53.31 3k1q s HIS 1193Cb -0.12 -3.54 -0.05 0.00 -0.13 0.00 0.00 32.58 28.75 3k1q s HIS 1193CO 0.20 -0.90 0.19 0.12 -2.47 0.00 0.00 174.74 171.87 3k1q s PHE 1194N -0.30 3.21 -0.37 3.88 5.36 -1.17 -3.40 117.98 125.19 3k1q s PHE 1194Ca 0.20 0.06 -0.29 0.00 -0.96 0.00 0.00 56.93 55.95 3k1q s PHE 1194Cb -0.13 -2.38 -0.00 0.00 -0.34 0.00 0.00 43.02 40.17 3k1q s PHE 1194CO -0.07 -0.19 1.55 0.08 -1.46 0.00 0.00 175.22 175.12 3k1q s VAL 1195N 1.75 3.76 0.37 3.12 1.01 -0.77 -1.88 120.40 127.76 3k1q s VAL 1195Ca 0.07 0.78 -0.27 0.00 0.00 0.00 0.00 61.98 62.56 3k1q s VAL 1195Cb -0.16 -3.99 -0.11 0.00 0.00 0.00 0.00 36.38 32.12 3k1q s VAL 1195CO 0.11 -0.61 1.28 0.18 0.00 0.00 0.00 175.10 176.06 3k1q n LEU 1196N 9.22 3.69 -3.69 3.92 4.77 -1.26 -4.93 117.00 128.72 3k1q n LEU 1196Ca 0.19 1.18 -0.11 0.00 -0.03 0.00 0.00 56.01 57.23 3k1q n LEU 1196Cb 0.47 -1.49 -0.10 0.00 -2.33 0.00 0.00 43.42 39.98 3k1q n LEU 1196CO 0.69 -0.54 0.15 -1.81 -1.33 0.00 0.00 177.39 174.54 3k1q s ASP 1197N -0.38 -0.58 0.63 -1.43 1.01 -1.26 -4.83 116.67 109.83 3k1q s ASP 1197Ca 0.57 1.03 0.32 0.00 0.71 0.00 0.00 52.55 55.18 3k1q s ASP 1197Cb -0.55 0.96 1.77 0.00 1.01 0.00 0.00 42.92 46.11 3k1q s ASP 1197CO 0.61 -0.19 2.07 -0.07 0.21 0.00 0.00 175.17 177.80 3k1q h LEU 1198N 6.41 0.00 -0.48 1.23 3.38 -0.85 -1.86 115.31 123.14 3k1q h LEU 1198Ca -0.32 0.00 0.16 0.00 0.09 0.00 0.00 57.88 57.81 3k1q h LEU 1198Cb 1.19 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.85 3k1q h LEU 1198CO 0.24 0.00 0.10 0.00 0.09 0.00 0.00 178.44 178.86 3k1q n ALA 1199N -2.15 0.33 0.09 1.53 0.00 -1.26 -1.06 120.51 117.99 3k1q n ALA 1199Ca 0.00 0.50 0.05 0.00 0.00 0.00 0.00 53.44 54.00 3k1q n ALA 1199Cb 0.33 -0.41 0.27 0.00 0.00 0.00 0.00 19.45 19.64 3k1q n ALA 1199CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3k1q n ASP 1200N -4.37 0.25 0.23 0.00 5.75 -0.70 -1.27 116.55 116.44 3k1q n ASP 1200Ca 0.14 0.56 0.07 0.00 -0.01 0.00 0.00 54.79 55.55 3k1q n ASP 1200Cb 0.45 -0.58 0.57 0.00 -1.03 0.00 0.00 41.12 40.54 3k1q n ASP 1200CO 0.00 0.00 0.00 0.78 -0.11 0.00 0.00 177.20 177.87 3k1q h ASN 1201N 0.00 0.02 -0.28 -1.12 2.35 -1.35 -3.19 115.58 112.01 3k1q h ASN 1201Ca 0.00 -0.00 -0.21 0.00 -0.55 0.00 0.00 56.30 55.54 3k1q h ASN 1201Cb 0.19 -0.01 -0.17 0.00 0.05 0.00 0.00 38.32 38.38 3k1q h ASN 1201CO 0.00 0.09 -0.64 1.41 -1.65 0.00 0.00 177.43 176.64 3k1q n HIS 1202N -4.45 1.01 -3.58 1.19 8.25 -0.40 -5.04 115.22 112.20 3k1q n HIS 1202Ca -0.03 -1.75 -0.00 0.00 -0.26 0.00 0.00 57.72 55.69 3k1q n HIS 1202Cb 0.15 -0.28 -0.06 0.00 1.12 0.00 0.00 29.99 30.92 3k1q n HIS 1202CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3k1q s VAL 1203N -3.66 -0.07 -0.10 1.59 0.11 -1.21 -4.93 120.40 112.12 3k1q s VAL 1203Ca 0.42 0.00 -0.02 0.00 -2.93 0.00 0.00 61.98 59.46 3k1q s VAL 1203Cb 0.38 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 34.20 3k1q s VAL 1203CO -0.03 0.00 -0.03 -0.22 -3.33 0.00 0.00 175.10 171.49 3k1q s LEU 1204N 1.46 3.39 0.11 2.54 2.96 -1.26 -4.55 118.68 123.33 3k1q s LEU 1204Ca -0.07 0.03 0.07 0.00 -0.22 0.00 0.00 54.13 53.95 3k1q s LEU 1204Cb -0.03 -1.77 -0.04 0.00 0.50 0.00 0.00 46.19 44.84 3k1q s LEU 1204CO -0.14 0.32 -0.11 -0.76 -1.32 0.00 0.00 176.35 174.34 3k1q s LEU 1205N -0.56 2.98 -0.20 -0.68 1.02 -1.26 -4.91 118.68 115.05 3k1q s LEU 1205Ca 0.09 -0.42 -0.04 0.00 0.02 0.00 0.00 54.13 53.78 3k1q s LEU 1205Cb -0.12 -1.78 -0.02 0.00 0.02 0.00 0.00 46.19 44.30 3k1q s LEU 1205CO 0.02 0.18 -0.04 -0.72 0.02 0.00 0.00 176.35 175.81 3k1q s TYR 1206N -1.21 2.97 -0.59 0.29 -0.85 0.40 -1.65 117.35 116.71 3k1q s TYR 1206Ca 0.21 -0.72 -0.26 0.00 -0.52 0.00 0.00 57.07 55.78 3k1q s TYR 1206Cb -0.11 -2.07 -0.04 0.00 0.38 0.00 0.00 41.96 40.12 3k1q s TYR 1206CO 0.13 -0.39 2.03 -1.17 -1.52 0.00 0.00 175.55 174.63 3k1q s LEU 1207N 1.17 3.31 0.00 -3.49 2.96 0.25 -0.85 118.68 122.03 3k1q s LEU 1207Ca 0.02 0.51 0.07 0.00 -0.22 0.00 0.00 54.13 54.51 3k1q s LEU 1207Cb -0.14 -2.52 -0.02 0.00 0.50 0.00 0.00 46.19 44.00 3k1q s LEU 1207CO -0.00 -2.56 -0.22 0.00 -1.32 0.00 0.00 176.35 172.25 3k1q n ASP 1209N 2.33 2.89 -0.09 0.00 2.03 -0.36 -4.57 116.55 118.78 3k1q n ASP 1209Ca -0.16 1.03 -0.15 0.00 0.52 0.00 0.00 54.79 56.03 3k1q n ASP 1209Cb 0.53 -1.25 -0.08 0.00 -0.72 0.00 0.00 41.12 39.60 3k1q n ASP 1209CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 3k1q h VAL 1210N 5.33 0.57 -0.95 5.18 2.07 -1.91 -3.28 116.25 123.26 3k1q h VAL 1210Ca -0.47 -1.73 0.29 0.00 0.82 0.00 0.00 66.70 65.60 3k1q h VAL 1210Cb 1.30 1.38 -0.17 0.00 -1.52 0.00 0.00 31.29 32.28 3k1q h VAL 1210CO 0.96 0.19 0.22 0.71 0.02 0.00 0.00 177.57 179.67 3k1q h THR 1211N -1.00 0.14 -4.06 2.57 1.35 -1.91 -3.42 112.91 106.57 3k1q h THR 1211Ca -0.22 -0.03 -0.50 0.00 -0.55 0.00 0.00 66.41 65.12 3k1q h THR 1211Cb 0.99 0.04 0.06 0.00 -1.73 0.00 0.00 68.15 67.51 3k1q h THR 1211CO -0.13 0.02 0.43 -2.16 -0.25 0.00 0.00 175.52 173.43 3k1q s PRO 1212N -5.88 3.53 -0.35 4.72 0.04 -1.26 -4.96 135.00 130.84 3k1q s PRO 1212Ca -0.12 1.60 -0.04 0.00 0.04 0.00 0.00 61.00 62.48 3k1q s PRO 1212Cb 0.29 -2.11 -0.09 0.00 0.04 0.00 0.00 34.50 32.62 3k1q s PRO 1212CO 0.78 -0.70 1.98 -1.13 0.04 0.00 0.00 177.00 177.97 3k1q n SER 1213N -1.05 3.28 0.00 6.66 3.41 -1.26 -4.49 113.62 120.16 3k1q n SER 1213Ca 0.10 -2.11 0.00 0.00 -0.26 0.00 0.00 58.87 56.61 3k1q n SER 1213Cb 0.51 -0.83 0.00 0.00 -0.26 0.00 0.00 64.21 63.63 3k1q n SER 1213CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3k1q n GLY 1214N 3.22 1.46 3.66 5.00 0.00 -1.24 -4.66 105.19 112.64 3k1q n GLY 1214Ca 0.28 0.39 -0.38 0.00 0.00 0.00 0.00 46.02 46.31 3k1q n GLY 1214CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3k1q s LEU 1215N 0.00 4.13 0.00 0.99 1.43 -1.26 -4.15 118.68 119.82 3k1q s LEU 1215Ca 0.00 0.36 0.00 0.00 -1.03 0.00 0.00 54.13 53.46 3k1q s LEU 1215Cb 0.00 -2.37 0.00 0.00 0.03 0.00 0.00 46.19 43.85 3k1q s LEU 1215CO 0.00 -0.04 0.00 0.61 0.23 0.00 0.00 176.35 177.15 3k1q n GLY 1216N 4.10 0.99 0.39 -3.19 0.00 -1.24 -4.89 105.19 101.36 3k1q n GLY 1216Ca -0.11 -0.01 -0.15 0.00 0.00 0.00 0.00 46.02 45.76 3k1q n GLY 1216CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3k1q h ASP 1217N 0.00 -0.82 -0.37 1.61 3.45 -1.86 -3.31 116.42 115.13 3k1q h ASP 1217Ca 0.00 0.03 -0.66 0.00 0.43 0.00 0.00 57.03 56.83 3k1q h ASP 1217Cb 0.00 0.21 -0.03 0.00 -0.56 0.00 0.00 39.33 38.95 3k1q h ASP 1217CO 0.00 -0.49 3.10 0.54 -1.57 0.00 0.00 179.24 180.82 3k1q n ARG 1218N -5.11 3.84 -0.62 3.56 1.74 -1.26 -4.92 116.66 113.90 3k1q n ARG 1218Ca -0.12 -2.51 0.02 0.00 -0.77 0.00 0.00 57.85 54.47 3k1q n ARG 1218Cb 0.38 -2.69 -0.01 0.00 -1.02 0.00 0.00 32.46 29.12 3k1q n ARG 1218CO 0.00 0.00 0.00 0.44 -1.52 0.00 0.00 177.63 176.55 3k1q n ILE 1219N 2.89 -0.10 -4.57 0.55 -5.35 -1.25 -4.49 119.36 107.04 3k1q n ILE 1219Ca 0.71 0.11 -0.28 0.00 -0.27 0.00 0.00 62.75 63.02 3k1q n ILE 1219Cb 0.28 -0.17 -0.17 0.00 -1.74 0.00 0.00 39.64 37.85 3k1q n ILE 1219CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3k1q s ALA 1220N -4.61 1.61 -0.65 -1.28 0.00 -1.26 -1.23 121.76 114.35 3k1q s ALA 1220Ca 0.00 -0.66 -0.26 0.00 0.00 0.00 0.00 51.96 51.03 3k1q s ALA 1220Cb 0.00 -0.75 0.04 0.00 0.00 0.00 0.00 23.12 22.40 3k1q s ALA 1220CO 0.00 0.01 1.16 0.12 0.00 0.00 0.00 175.76 177.06 3k1q s PHE 1221N 0.84 2.50 -0.24 0.00 5.36 0.16 -4.76 117.98 121.84 3k1q s PHE 1221Ca -0.10 0.04 -0.28 0.00 -0.96 0.00 0.00 56.93 55.62 3k1q s PHE 1221Cb -0.15 -4.47 -0.04 0.00 -0.34 0.00 0.00 43.02 38.01 3k1q s PHE 1221CO 0.01 -1.77 2.05 -1.25 -1.46 0.00 0.00 175.22 172.81 3k1q s PRO 1222N 5.03 3.28 -1.52 10.12 0.04 -1.26 0.86 135.00 151.54 3k1q s PRO 1222Ca 0.35 1.87 -0.12 0.00 0.04 0.00 0.00 61.00 63.15 3k1q s PRO 1222Cb -0.10 -4.29 -0.01 0.00 0.04 0.00 0.00 34.50 30.14 3k1q s PRO 1222CO 0.18 -1.93 2.56 -0.89 0.04 0.00 0.00 177.00 176.96 3k1q n ILE 1223N 7.47 3.94 -0.20 0.56 5.41 -0.66 -4.78 119.36 131.10 3k1q n ILE 1223Ca 0.27 -2.91 0.21 0.00 1.00 0.00 0.00 62.75 61.31 3k1q n ILE 1223Cb 0.45 -2.59 0.57 0.00 -0.71 0.00 0.00 39.64 37.37 3k1q n ILE 1223CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 176.55 176.18 3k1q h VAL 1224N 3.49 0.66 -0.78 1.39 -1.51 -1.90 -2.64 116.25 114.97 3k1q h VAL 1224Ca 0.71 -0.10 0.14 0.00 -1.23 0.00 0.00 66.70 66.22 3k1q h VAL 1224Cb 0.47 0.35 -0.09 0.00 -2.13 0.00 0.00 31.29 29.88 3k1q h VAL 1224CO 1.82 0.05 0.35 0.44 -1.23 0.00 0.00 177.57 179.00 3k1q h ASP 1225N 0.29 0.37 0.87 4.19 3.32 -1.98 0.38 116.42 123.85 3k1q h ASP 1225Ca 0.44 0.10 -0.09 0.00 0.02 0.00 0.00 57.03 57.50 3k1q h ASP 1225Cb 1.25 0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.85 3k1q h ASP 1225CO -0.12 0.15 -0.43 -0.29 -1.72 0.00 0.00 179.24 176.83 3k1q h ILE 1226N 0.51 0.97 -0.16 0.35 6.09 -1.89 -3.22 117.51 120.16 3k1q h ILE 1226Ca 0.43 -1.69 -0.08 0.00 -1.37 0.00 0.00 64.86 62.15 3k1q h ILE 1226Cb 0.63 2.01 -0.01 0.00 0.47 0.00 0.00 36.82 39.92 3k1q h ILE 1226CO -0.38 0.42 -0.25 0.22 -3.07 0.00 0.00 178.15 175.08 3k1q h TYR 1227N 0.00 0.31 0.00 2.19 3.20 -1.05 -3.32 116.97 118.30 3k1q h TYR 1227Ca -0.00 -0.06 -0.56 0.00 3.14 0.00 0.00 58.73 61.24 3k1q h TYR 1227Cb 0.98 -0.08 0.02 0.00 1.54 0.00 0.00 36.73 39.20 3k1q h TYR 1227CO 0.00 0.52 3.40 0.54 -1.64 0.00 0.00 178.16 180.97 3k1q n ARG 1228N -4.15 3.14 -2.37 1.82 3.00 -1.22 -4.62 116.66 112.26 3k1q n ARG 1228Ca -0.01 -1.93 -0.42 0.00 -0.01 0.00 0.00 57.85 55.48 3k1q n ARG 1228Cb 0.37 -2.67 -0.03 0.00 0.00 0.00 0.00 32.46 30.13 3k1q n ARG 1228CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.63 176.13 3k1q s ILE 1229N 2.58 3.93 0.06 0.55 2.07 -1.25 -5.04 121.20 124.10 3k1q s ILE 1229Ca 0.59 1.37 0.03 0.00 -1.41 0.00 0.00 60.65 61.23 3k1q s ILE 1229Cb 0.15 -3.88 -0.04 0.00 0.13 0.00 0.00 42.46 38.83 3k1q s ILE 1229CO -0.05 0.09 0.03 0.00 -1.91 0.00 0.00 174.94 173.10 3k1q s ALA 1230N 1.30 3.41 -0.89 1.50 0.00 -1.26 -5.09 121.76 120.73 3k1q s ALA 1230Ca 0.60 -1.03 -0.02 0.00 0.00 0.00 0.00 51.96 51.51 3k1q s ALA 1230Cb -0.30 -1.33 0.22 0.00 0.00 0.00 0.00 23.12 21.70 3k1q s ALA 1230CO 0.28 0.71 0.77 -0.06 0.00 0.00 0.00 175.76 177.46 3k1q s PHE 1231N -1.29 3.89 0.33 0.00 0.40 -1.26 -5.05 117.98 115.00 3k1q s PHE 1231Ca 0.26 -3.03 -0.16 0.00 -0.60 0.00 0.00 56.93 53.39 3k1q s PHE 1231Cb -0.12 -3.24 -0.09 0.00 0.51 0.00 0.00 43.02 40.08 3k1q s PHE 1231CO 0.18 -0.74 0.77 -1.25 0.70 0.00 0.00 175.22 174.88 3k1q s PRO 1232N -1.33 4.06 -0.42 0.24 0.04 -1.26 -4.74 135.00 131.60 3k1q s PRO 1232Ca 0.27 0.76 -0.03 0.00 0.04 0.00 0.00 61.00 62.04 3k1q s PRO 1232Cb -0.07 -2.43 0.14 0.00 0.04 0.00 0.00 34.50 32.17 3k1q s PRO 1232CO -0.12 0.15 2.44 -2.13 0.04 0.00 0.00 177.00 177.38 3k1q n ARG 1233N -0.31 2.19 0.00 4.56 3.00 -1.26 -3.06 116.66 121.78 3k1q n ARG 1233Ca 0.04 -2.10 0.00 0.00 -0.00 0.00 0.00 57.85 55.78 3k1q n ARG 1233Cb 0.53 -1.95 0.00 0.00 0.00 0.00 0.00 32.46 31.04 3k1q n ARG 1233CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.63 177.90 3k1q n ASN 1234N 0.57 0.00 -4.53 6.15 6.94 -1.26 -4.81 115.26 118.32 3k1q n ASN 1234Ca 0.42 0.00 -0.34 0.00 -0.02 0.00 0.00 54.58 54.64 3k1q n ASN 1234Cb 0.56 0.00 -0.11 0.00 -2.36 0.00 0.00 39.78 37.87 3k1q n ASN 1234CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 3k1q s THR 1235N -1.00 4.25 0.90 5.53 -4.23 -1.25 -4.86 115.64 114.98 3k1q s THR 1235Ca 0.00 -0.22 -0.12 0.00 -1.18 0.00 0.00 61.69 60.17 3k1q s THR 1235Cb 0.00 -2.90 0.07 0.00 1.34 0.00 0.00 72.50 71.01 3k1q s THR 1235CO 0.00 0.46 0.78 -2.65 -0.54 0.00 0.00 174.62 172.67 3k1q n PRO 1236N 3.76 -0.22 -4.10 3.99 -0.02 -1.26 -4.54 135.00 132.61 3k1q n PRO 1236Ca -0.17 -0.01 -0.33 0.00 -2.02 0.00 0.00 63.50 60.98 3k1q n PRO 1236Cb 0.52 -2.11 -0.16 0.00 -0.02 0.00 0.00 33.50 31.73 3k1q n PRO 1236CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3k1q s VAL 1237N -2.38 2.09 -0.23 -1.45 -7.23 0.98 -4.87 120.40 107.31 3k1q s VAL 1237Ca 0.63 -1.19 -0.14 0.00 -1.81 0.00 0.00 61.98 59.48 3k1q s VAL 1237Cb -0.24 -2.00 -0.04 0.00 0.56 0.00 0.00 36.38 34.65 3k1q s VAL 1237CO 0.61 0.33 0.33 -0.13 -0.31 0.00 0.00 175.10 175.93 3k1q s ARG 1238N 1.23 4.11 -0.13 4.82 0.52 -1.26 -1.39 118.95 126.84 3k1q s ARG 1238Ca -0.00 0.04 -0.00 0.00 -0.52 0.00 0.00 55.73 55.24 3k1q s ARG 1238Cb -0.16 -3.57 -0.01 0.00 0.52 0.00 0.00 34.95 31.73 3k1q s ARG 1238CO -0.10 -0.08 -0.13 0.00 0.02 0.00 0.00 175.30 175.02 3k1q s ALA 1239N 1.44 2.63 0.02 2.13 0.00 0.49 -0.09 121.76 128.38 3k1q s ALA 1239Ca 0.15 -0.90 0.03 0.00 0.00 0.00 0.00 51.96 51.24 3k1q s ALA 1239Cb -0.15 -1.24 -0.02 0.00 0.00 0.00 0.00 23.12 21.72 3k1q s ALA 1239CO 0.08 0.21 -0.10 -1.54 0.00 0.00 0.00 175.76 174.40 3k1q s SER 1240N 0.41 1.21 -0.63 0.00 1.04 -1.26 -0.57 113.70 113.90 3k1q s SER 1240Ca -0.10 -0.34 -0.09 0.00 0.48 0.00 0.00 55.95 55.91 3k1q s SER 1240Cb -0.16 -0.08 -0.20 0.00 0.10 0.00 0.00 66.02 65.68 3k1q s SER 1240CO 0.05 0.02 1.43 -0.11 0.98 0.00 0.00 173.24 175.61 3k1q n LEU 1241N 2.25 -0.68 0.19 2.42 7.94 -1.25 -4.00 117.00 123.88 3k1q n LEU 1241Ca -0.17 -0.24 0.03 0.00 -1.11 0.00 0.00 56.01 54.52 3k1q n LEU 1241Cb 0.56 -0.39 0.39 0.00 0.53 0.00 0.00 43.42 44.51 3k1q n LEU 1241CO 0.23 -0.80 0.76 1.55 -1.11 0.00 0.00 177.39 178.02 3k1q h PRO 1242N 7.04 0.00 -2.63 1.96 0.13 -1.93 -3.36 132.00 133.22 3k1q h PRO 1242Ca 0.01 0.00 0.12 0.00 -0.87 0.00 0.00 66.00 65.26 3k1q h PRO 1242Cb 0.73 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.82 3k1q h PRO 1242CO 0.99 0.34 0.43 1.52 -0.23 0.00 0.00 178.00 181.05 3k1q s TYR 1243N -4.27 -0.03 -1.38 1.56 -0.85 -1.26 -4.86 117.35 106.26 3k1q s TYR 1243Ca -0.03 -0.41 0.10 0.00 -0.52 0.00 0.00 57.07 56.22 3k1q s TYR 1243Cb 0.15 0.71 0.50 0.00 0.38 0.00 0.00 41.96 43.70 3k1q s TYR 1243CO 0.72 -1.07 1.23 0.25 -1.52 0.00 0.00 175.55 175.15 3k1q n THR 1244N -0.55 0.83 -2.15 -3.49 -2.24 -1.26 -4.68 114.28 100.74 3k1q n THR 1244Ca -0.05 0.21 -0.28 0.00 -2.27 0.00 0.00 64.05 61.65 3k1q n THR 1244Cb 0.60 -1.04 0.04 0.00 -2.10 0.00 0.00 70.33 67.83 3k1q n THR 1244CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3k1q s GLY 1245N -2.62 1.61 -0.82 3.38 0.00 -1.26 -5.00 107.32 102.61 3k1q s GLY 1245Ca 0.09 -0.51 -0.25 0.00 0.00 0.00 0.00 44.72 44.05 3k1q s GLY 1245CO 0.16 -0.19 1.95 -0.32 0.00 0.00 0.00 173.10 174.70 3k1q s GLY 1246N -4.32 0.14 -0.91 0.20 0.00 -1.26 -4.80 107.32 96.36 3k1q s GLY 1246Ca 0.56 -1.25 -0.00 0.00 0.00 0.00 0.00 44.72 44.02 3k1q s GLY 1246CO 0.48 3.51 1.21 0.61 0.00 0.00 0.00 173.10 178.91 3k1q n GLY 1247N 6.56 5.07 0.18 0.20 0.00 0.09 -2.92 105.19 114.38 3k1q n GLY 1247Ca 0.35 -2.71 0.12 0.00 0.00 0.00 0.00 46.02 43.79 3k1q n GLY 1247CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k1q h ALA 1248N 4.92 0.95 0.00 4.61 0.00 -1.72 0.40 119.26 128.42 3k1q h ALA 1248Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3k1q h ALA 1248Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.41 3k1q h ALA 1248CO 1.15 0.00 0.00 0.72 0.00 0.00 0.00 179.25 181.12 3k1q n HIS 1249N -2.86 0.00 -2.56 0.00 8.25 -1.03 -4.58 115.22 112.43 3k1q n HIS 1249Ca 0.04 -0.10 -0.43 0.00 -0.26 0.00 0.00 57.72 56.97 3k1q n HIS 1249Cb 0.51 -0.13 -0.02 0.00 1.12 0.00 0.00 29.99 31.47 3k1q n HIS 1249CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 3k1q s LEU 1250N 0.00 4.05 -0.09 2.41 2.96 -1.23 -3.86 118.68 122.92 3k1q s LEU 1250Ca 0.00 1.35 -0.06 0.00 -0.22 0.00 0.00 54.13 55.20 3k1q s LEU 1250Cb 0.00 -3.54 0.03 0.00 0.50 0.00 0.00 46.19 43.18 3k1q s LEU 1250CO 0.00 -0.80 0.21 0.42 -1.32 0.00 0.00 176.35 174.86 3k1q s THR 1251N 3.55 -0.03 -0.42 3.68 -4.23 -1.09 -1.68 115.64 115.42 3k1q s THR 1251Ca 0.49 0.09 -0.14 0.00 -1.18 0.00 0.00 61.69 60.95 3k1q s THR 1251Cb -0.16 -0.32 0.04 0.00 1.34 0.00 0.00 72.50 73.39 3k1q s THR 1251CO 0.13 0.04 0.30 -0.55 -0.54 0.00 0.00 174.62 173.99 3k1q s SER 1252N 0.78 6.00 -1.44 3.99 0.15 -0.74 0.14 113.70 122.57 3k1q s SER 1252Ca -0.05 -1.06 -0.07 0.00 0.70 0.00 0.00 55.95 55.47 3k1q s SER 1252Cb -0.07 -2.12 0.01 0.00 -1.71 0.00 0.00 66.02 62.13 3k1q s SER 1252CO -0.05 -0.49 0.24 0.61 1.20 0.00 0.00 173.24 174.76 3k1q n GLY 1253N 5.11 -0.30 0.00 9.45 0.00 -1.26 -2.11 105.19 116.09 3k1q n GLY 1253Ca -0.11 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.12 3k1q n GLY 1253CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k1q n GLY 1254N -2.33 3.01 3.76 -0.02 0.00 -1.26 -5.02 105.19 103.33 3k1q n GLY 1254Ca -0.28 -0.82 -0.41 0.00 0.00 0.00 0.00 46.02 44.51 3k1q n GLY 1254CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3k1q s ASN 1255N 0.00 6.38 0.35 1.61 0.01 -0.90 -4.84 114.94 117.56 3k1q s ASN 1255Ca 0.00 2.95 -0.25 0.00 -0.71 0.00 0.00 52.86 54.85 3k1q s ASN 1255Cb 0.00 -2.64 -0.10 0.00 0.41 0.00 0.00 41.25 38.92 3k1q s ASN 1255CO 0.00 -0.89 0.95 -2.84 -1.51 0.00 0.00 177.10 172.81 3k1q s PRO 1256N -0.80 4.48 0.00 -0.60 0.02 -1.26 -1.80 135.00 135.04 3k1q s PRO 1256Ca 0.61 1.29 0.00 0.00 0.02 0.00 0.00 61.00 62.92 3k1q s PRO 1256Cb -0.47 -2.64 0.00 0.00 0.02 0.00 0.00 34.50 31.41 3k1q s PRO 1256CO 0.51 0.18 0.00 1.19 -0.33 0.00 0.00 177.00 178.55 3k1q n PHE 1257N 0.25 0.00 -1.29 6.54 3.01 -0.68 -4.87 117.46 120.43 3k1q n PHE 1257Ca 0.03 0.00 -0.30 0.00 1.01 0.00 0.00 57.45 58.19 3k1q n PHE 1257Cb 0.51 0.00 -0.10 0.00 -0.01 0.00 0.00 39.48 39.88 3k1q n PHE 1257CO 0.00 0.00 0.00 -0.12 1.01 0.00 0.00 176.76 177.65 3k1q n MET 1258N 0.00 0.57 -1.59 -1.08 1.56 -0.45 -2.12 117.12 114.01 3k1q n MET 1258Ca 0.00 -1.67 -0.38 0.00 -0.27 0.00 0.00 57.70 55.38 3k1q n MET 1258Cb 0.00 -3.33 0.05 0.00 2.15 0.00 0.00 33.22 32.09 3k1q n MET 1258CO 0.00 0.00 0.00 -1.13 -0.73 0.00 0.00 175.97 174.11 3k1q n SER 1259N 13.83 0.56 -4.55 6.12 3.41 -1.26 -4.92 113.62 126.81 3k1q n SER 1259Ca 0.45 0.82 -0.41 0.00 -0.26 0.00 0.00 58.87 59.47 3k1q n SER 1259Cb 0.44 -1.35 -0.03 0.00 -0.26 0.00 0.00 64.21 63.01 3k1q n SER 1259CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3k1q s LEU 1260N -1.42 3.32 -0.18 1.04 1.43 0.14 -4.32 118.68 118.69 3k1q s LEU 1260Ca 0.73 -0.40 -0.10 0.00 -1.03 0.00 0.00 54.13 53.34 3k1q s LEU 1260Cb -0.44 -2.65 0.04 0.00 0.03 0.00 0.00 46.19 43.17 3k1q s LEU 1260CO 0.49 -1.74 0.19 0.41 0.23 0.00 0.00 176.35 175.94 3k1q n THR 1261N 6.39-11.54 -3.59 5.49 -1.04 -1.26 -0.73 114.28 108.00 3k1q n THR 1261Ca 0.03 2.33 -0.13 0.00 -2.04 0.00 0.00 64.05 64.24 3k1q n THR 1261Cb 0.49 -6.22 -0.06 0.00 -1.82 0.00 0.00 70.33 62.72 3k1q n THR 1261CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 3k1q s THR 1262N -0.69 0.00 0.28 12.58 2.01 -1.26 -4.55 115.64 124.01 3k1q s THR 1262Ca -0.22 0.00 -0.29 0.00 0.31 0.00 0.00 61.69 61.48 3k1q s THR 1262Cb 0.01 -1.00 -0.10 0.00 0.01 0.00 0.00 72.50 71.42 3k1q s THR 1262CO 0.69 0.00 1.38 -2.84 -0.69 0.00 0.00 174.62 173.16 3k1q s PRO 1263N -0.42 4.31 0.00 4.92 0.02 -1.26 -3.86 135.00 138.70 3k1q s PRO 1263Ca -0.03 2.25 0.00 0.00 0.02 0.00 0.00 61.00 63.24 3k1q s PRO 1263Cb -0.03 -3.10 0.00 0.00 0.02 0.00 0.00 34.50 31.39 3k1q s PRO 1263CO 0.02 -0.32 0.00 -2.30 -0.33 0.00 0.00 177.00 174.07 3k1q n PRO 1264N 1.76 0.00 -2.26 5.54 -0.02 -1.26 -4.98 135.00 133.78 3k1q n PRO 1264Ca 0.04 0.00 -0.35 0.00 -2.02 0.00 0.00 63.50 61.17 3k1q n PRO 1264Cb 0.41 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.89 3k1q n PRO 1264CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3k1q s ALA 1265N 0.00 2.70 -1.02 3.55 0.00 -1.25 -4.96 121.76 120.78 3k1q s ALA 1265Ca 0.00 0.78 -0.23 0.00 0.00 0.00 0.00 51.96 52.51 3k1q s ALA 1265Cb 0.00 -3.35 0.01 0.00 0.00 0.00 0.00 23.12 19.79 3k1q s ALA 1265CO 0.00 -0.75 1.67 0.08 0.00 0.00 0.00 175.76 176.76 3k1q s VAL 1266N -1.83 3.76 -0.66 0.00 1.01 -0.90 -4.85 120.40 116.94 3k1q s VAL 1266Ca 0.72 -0.75 -0.23 0.00 0.00 0.00 0.00 61.98 61.71 3k1q s VAL 1266Cb -0.23 -4.70 0.06 0.00 0.00 0.00 0.00 36.38 31.52 3k1q s VAL 1266CO 0.27 -1.56 0.99 -0.22 0.00 0.00 0.00 175.10 174.58 3k1q s LEU 1267N 6.95 4.24 0.96 3.92 2.96 -1.26 -1.34 118.68 135.12 3k1q s LEU 1267Ca 0.56 -0.88 -0.15 0.00 -0.22 0.00 0.00 54.13 53.44 3k1q s LEU 1267Cb -0.02 -2.47 0.18 0.00 0.50 0.00 0.00 46.19 44.38 3k1q s LEU 1267CO -0.04 -1.46 1.23 -2.84 -1.32 0.00 0.00 176.35 171.93 3k1q s PRO 1268N 4.21 0.67 0.00 0.98 0.02 -1.26 -4.97 135.00 134.65 3k1q s PRO 1268Ca 0.24 -0.14 0.03 0.00 0.02 0.00 0.00 61.00 61.15 3k1q s PRO 1268Cb -0.16 -1.82 0.19 0.00 0.02 0.00 0.00 34.50 32.73 3k1q s PRO 1268CO 0.11 -2.44 0.75 0.00 -0.33 0.00 0.00 177.00 175.10 3k1q n ALA 1269N -3.84 1.55 -0.01 -1.55 0.00 -1.26 -2.20 120.51 113.20 3k1q n ALA 1269Ca 0.12 -0.02 0.06 0.00 0.00 0.00 0.00 53.44 53.60 3k1q n ALA 1269Cb 0.60 -1.05 0.14 0.00 0.00 0.00 0.00 19.45 19.13 3k1q n ALA 1269CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k1q n GLY 1270N -0.85 1.97 3.34 0.00 0.00 -1.26 -5.07 105.19 103.32 3k1q n GLY 1270Ca 0.02 -0.40 -0.31 0.00 0.00 0.00 0.00 46.02 45.33 3k1q n GLY 1270CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3k1q s VAL 1271N -1.00 2.22 -0.08 1.61 1.01 -0.93 -2.80 120.40 120.42 3k1q s VAL 1271Ca 0.23 -1.05 -0.30 0.00 0.00 0.00 0.00 61.98 60.86 3k1q s VAL 1271Cb 0.12 -1.78 0.07 0.00 0.00 0.00 0.00 36.38 34.80 3k1q s VAL 1271CO 0.17 0.58 0.71 0.00 0.00 0.00 0.00 175.10 176.56 3k1q s ALA 1272N -0.62 -1.78 0.09 5.51 0.00 -0.61 -4.79 121.76 119.55 3k1q s ALA 1272Ca 0.10 1.41 -0.25 0.00 0.00 0.00 0.00 51.96 53.22 3k1q s ALA 1272Cb -0.10 -0.18 -0.06 0.00 0.00 0.00 0.00 23.12 22.78 3k1q s ALA 1272CO -0.01 -0.36 0.79 -1.17 0.00 0.00 0.00 175.76 175.01 3k1q s LEU 1273N -1.02 4.50 -0.63 0.00 2.96 -1.26 0.13 118.68 123.36 3k1q s LEU 1273Ca -0.09 1.55 -0.23 0.00 -0.22 0.00 0.00 54.13 55.14 3k1q s LEU 1273Cb -0.01 -3.28 0.07 0.00 0.50 0.00 0.00 46.19 43.47 3k1q s LEU 1273CO 0.08 0.08 0.94 0.00 -1.32 0.00 0.00 176.35 176.13 3k1q s ALA 1274N -0.43 3.14 0.32 5.97 0.00 0.11 -4.75 121.76 126.12 3k1q s ALA 1274Ca 0.38 -1.75 0.11 0.00 0.00 0.00 0.00 51.96 50.70 3k1q s ALA 1274Cb -0.22 -3.81 0.97 0.00 0.00 0.00 0.00 23.12 20.06 3k1q s ALA 1274CO 0.25 -2.66 1.66 0.00 0.00 0.00 0.00 175.76 175.01 3k1q h ALA 1275N 9.49 1.75 -0.29 0.00 0.00 -1.96 -3.32 119.26 124.92 3k1q h ALA 1275Ca -0.28 0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 3k1q h ALA 1275Cb 1.07 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 3k1q h ALA 1275CO 1.15 -0.52 0.31 -0.11 0.00 0.00 0.00 179.25 180.08 3k1q n LEU 1276N -5.09 1.34 -4.26 0.00 7.94 -1.26 -4.88 117.00 110.78 3k1q n LEU 1276Ca 0.28 -1.36 -0.38 0.00 -1.11 0.00 0.00 56.01 53.45 3k1q n LEU 1276Cb 0.88 -1.50 -0.03 0.00 0.53 0.00 0.00 43.42 43.30 3k1q n LEU 1276CO 0.09 -2.47 1.95 -0.24 -1.11 0.00 0.00 177.39 175.61 3k1q n SER 1277N 16.85 3.65 -3.60 1.96 2.88 -1.25 -4.55 113.62 129.56 3k1q n SER 1277Ca 0.50 -2.78 -0.41 0.00 -1.33 0.00 0.00 58.87 54.85 3k1q n SER 1277Cb 0.39 -1.61 0.00 0.00 -0.75 0.00 0.00 64.21 62.24 3k1q n SER 1277CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 3k1q n THR 1278N 6.61 5.31 -4.89 2.46 -2.24 -1.26 -4.90 114.28 115.36 3k1q n THR 1278Ca 0.48 -4.79 -0.27 0.00 -2.27 0.00 0.00 64.05 57.20 3k1q n THR 1278Cb 0.44 -2.01 -0.16 0.00 -2.10 0.00 0.00 70.33 66.50 3k1q n THR 1278CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3k1q s SER 1279N -0.07 2.27 0.56 3.42 0.15 -1.26 -4.72 113.70 114.05 3k1q s SER 1279Ca 0.47 -0.37 0.25 0.00 0.70 0.00 0.00 55.95 57.00 3k1q s SER 1279Cb 0.16 -0.59 1.53 0.00 -1.71 0.00 0.00 66.02 65.41 3k1q s SER 1279CO -0.07 0.17 2.11 0.58 1.20 0.00 0.00 173.24 177.23 3k1q h VAL 1280N 5.17 0.67 -3.87 4.45 2.07 -1.89 -3.43 116.25 119.41 3k1q h VAL 1280Ca -0.33 0.00 -0.55 0.00 0.82 0.00 0.00 66.70 66.64 3k1q h VAL 1280Cb 1.17 0.88 -0.21 0.00 -1.52 0.00 0.00 31.29 31.61 3k1q h VAL 1280CO 0.48 0.00 -0.82 0.00 0.02 0.00 0.00 177.57 177.24 3k1q s ALA 1281N -4.82 1.82 0.19 1.67 0.00 -1.26 -4.95 121.76 114.42 3k1q s ALA 1281Ca -0.05 -1.27 -0.08 0.00 0.00 0.00 0.00 51.96 50.56 3k1q s ALA 1281Cb 0.17 -0.24 0.10 0.00 0.00 0.00 0.00 23.12 23.15 3k1q s ALA 1281CO 0.62 0.35 1.69 1.79 0.00 0.00 0.00 175.76 180.21 3k1q h THR 1282N 4.00 1.26 0.02 0.00 1.35 -1.96 -3.37 112.91 114.22 3k1q h THR 1282Ca -0.46 -1.05 0.02 0.00 -0.55 0.00 0.00 66.41 64.37 3k1q h THR 1282Cb 1.18 0.63 -0.02 0.00 -1.73 0.00 0.00 68.15 68.21 3k1q h THR 1282CO 0.40 0.39 -0.12 -0.61 -0.25 0.00 0.00 175.52 175.34 3k1q h GLN 1283N 1.05 -0.20 -5.08 4.72 -0.00 -1.98 -3.42 115.11 110.19 3k1q h GLN 1283Ca 0.20 0.01 -0.64 0.00 -0.00 0.00 0.00 58.65 58.23 3k1q h GLN 1283Cb 0.45 0.05 -0.34 0.00 0.00 0.00 0.00 27.48 27.64 3k1q h GLN 1283CO 0.01 -0.13 -0.86 -0.47 0.00 0.00 0.00 178.83 177.38 3k1q s TYR 1284N -6.15 2.32 0.52 3.99 5.04 -1.26 -5.15 117.35 116.66 3k1q s TYR 1284Ca -0.14 -1.03 0.04 0.00 -2.44 0.00 0.00 57.07 53.49 3k1q s TYR 1284Cb 0.08 -1.59 0.03 0.00 0.35 0.00 0.00 41.96 40.83 3k1q s TYR 1284CO 0.66 -0.46 0.72 -1.25 -1.34 0.00 0.00 175.55 173.89 3k1q s PRO 1285N 0.63 2.58 0.40 4.97 0.04 -1.26 -3.87 135.00 138.48 3k1q s PRO 1285Ca -0.13 -0.97 -0.26 0.00 0.04 0.00 0.00 61.00 59.68 3k1q s PRO 1285Cb -0.16 -2.57 -0.11 0.00 0.04 0.00 0.00 34.50 31.70 3k1q s PRO 1285CO 0.04 -0.62 1.21 2.41 0.04 0.00 0.00 177.00 180.08 3k1q n THR 1286N -2.21 2.40 -4.39 1.26 -1.04 -1.26 -4.52 114.28 104.51 3k1q n THR 1286Ca 0.09 -0.50 -0.20 0.00 -2.04 0.00 0.00 64.05 61.39 3k1q n THR 1286Cb 0.60 -1.45 -0.10 0.00 -1.82 0.00 0.00 70.33 67.55 3k1q n THR 1286CO 0.00 0.00 0.00 -0.72 -0.64 0.00 0.00 175.07 173.71 3k1q s TYR 1287N -1.19 1.86 -0.32 -1.42 -0.85 0.26 0.06 117.35 115.76 3k1q s TYR 1287Ca 0.60 -0.63 -0.14 0.00 -0.52 0.00 0.00 57.07 56.38 3k1q s TYR 1287Cb -0.54 -0.97 -0.02 0.00 0.38 0.00 0.00 41.96 40.81 3k1q s TYR 1287CO 0.59 0.33 0.33 0.99 -1.52 0.00 0.00 175.55 176.27 3k1q s THR 1288N -2.98 5.20 0.09 -3.49 2.01 0.35 -0.38 115.64 116.44 3k1q s THR 1288Ca 0.27 0.16 -0.12 0.00 0.31 0.00 0.00 61.69 62.30 3k1q s THR 1288Cb 0.01 -3.75 -0.06 0.00 0.01 0.00 0.00 72.50 68.72 3k1q s THR 1288CO 0.10 0.02 0.46 -0.76 -0.69 0.00 0.00 174.62 173.74 3k1q s LEU 1289N 1.97 4.37 0.00 4.42 1.43 -0.48 -1.57 118.68 128.81 3k1q s LEU 1289Ca 0.11 0.93 -0.07 0.00 -1.03 0.00 0.00 54.13 54.07 3k1q s LEU 1289Cb -0.16 -3.03 0.11 0.00 0.03 0.00 0.00 46.19 43.14 3k1q s LEU 1289CO 0.11 0.17 0.35 -0.81 0.23 0.00 0.00 176.35 176.40 3k1q n PRO 1290N 1.01 -2.10 -1.61 1.29 -0.04 -1.12 -0.01 135.00 132.41 3k1q n PRO 1290Ca -0.08 -0.57 -0.23 0.00 -0.04 0.00 0.00 63.50 62.59 3k1q n PRO 1290Cb 0.52 -0.58 -0.05 0.00 -0.04 0.00 0.00 33.50 33.34 3k1q n PRO 1290CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3k1q s ALA 1291N -2.72 1.10 -0.26 0.55 0.00 -1.26 -2.86 121.76 116.31 3k1q s ALA 1291Ca 0.24 -0.55 -0.27 0.00 0.00 0.00 0.00 51.96 51.37 3k1q s ALA 1291Cb -0.03 -4.49 0.16 0.00 0.00 0.00 0.00 23.12 18.77 3k1q s ALA 1291CO 0.19 -5.31 1.25 0.20 0.00 0.00 0.00 175.76 172.09 3k1q s GLY 1292N 11.10 0.06 -0.36 0.00 0.00 -1.17 -4.67 107.32 112.28 3k1q s GLY 1292Ca 0.92 2.87 -0.16 0.00 0.00 0.00 0.00 44.72 48.35 3k1q s GLY 1292CO 0.14 1.51 0.41 0.14 0.00 0.00 0.00 173.10 175.30 3k1q s VAL 1293N -0.45 5.11 -0.14 1.40 1.01 -1.26 -4.58 120.40 121.49 3k1q s VAL 1293Ca 0.05 0.06 0.02 0.00 0.00 0.00 0.00 61.98 62.10 3k1q s VAL 1293Cb -0.03 -3.90 0.02 0.00 0.00 0.00 0.00 36.38 32.47 3k1q s VAL 1293CO -0.08 -0.18 -0.18 -0.31 0.00 0.00 0.00 175.10 174.35 3k1q s TYR 1294N 2.14 2.36 -0.56 5.22 1.51 -1.26 -4.01 117.35 122.75 3k1q s TYR 1294Ca 0.14 -1.24 -0.27 0.00 -1.01 0.00 0.00 57.07 54.69 3k1q s TYR 1294Cb -0.16 -1.66 -0.02 0.00 -0.11 0.00 0.00 41.96 40.00 3k1q s TYR 1294CO 0.12 -0.61 1.85 -1.21 -1.11 0.00 0.00 175.55 174.59 3k1q s GLU 1295N 1.09 2.76 -0.95 -0.62 8.01 0.38 -4.78 118.70 124.58 3k1q s GLU 1295Ca -0.02 0.78 -0.24 0.00 0.01 0.00 0.00 54.97 55.49 3k1q s GLU 1295Cb -0.14 -4.35 -0.06 0.00 -4.31 0.00 0.00 34.13 25.26 3k1q s GLU 1295CO -0.05 -2.57 1.98 -0.47 0.01 0.00 0.00 175.26 174.15 3k1q s TYR 1296N 8.70 1.78 -0.02 1.61 5.04 -1.26 -2.68 117.35 130.52 3k1q s TYR 1296Ca 0.70 0.71 0.00 0.00 -2.44 0.00 0.00 57.07 56.04 3k1q s TYR 1296Cb -0.14 -3.99 0.03 0.00 0.35 0.00 0.00 41.96 38.21 3k1q s TYR 1296CO 0.23 -1.61 0.02 0.14 -1.34 0.00 0.00 175.55 173.00 3k1q s VAL 1297N 10.68 0.03 0.72 3.14 -7.23 -1.25 -4.93 120.40 121.56 3k1q s VAL 1297Ca 0.71 0.17 -0.11 0.00 -1.81 0.00 0.00 61.98 60.95 3k1q s VAL 1297Cb -0.06 -0.15 0.17 0.00 0.56 0.00 0.00 36.38 36.90 3k1q s VAL 1297CO 0.03 0.11 0.39 2.30 -0.31 0.00 0.00 175.10 177.62 3k1q n ILE 1298N 4.20 0.00 1.40 -0.62 -6.64 -1.26 -2.47 119.36 113.97 3k1q n ILE 1298Ca -0.27 0.00 0.14 0.00 -1.77 0.00 0.00 62.75 60.85 3k1q n ILE 1298Cb 0.50 -0.44 0.44 0.00 -1.44 0.00 0.00 39.64 38.70 3k1q n ILE 1298CO 0.00 0.00 0.00 -0.62 -1.77 0.00 0.00 176.55 174.16