#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 1.86 -4.06 -5.12 0.00 -1.26 -4.63 120.51 107.30 3k1q n ALA 2 Ca 0.00 0.05 -0.33 0.00 0.00 0.00 0.00 53.44 53.16 3k1q n ALA 2 Cb 0.00 -1.41 -0.16 0.00 0.00 0.00 0.00 19.45 17.88 3k1q n ALA 2 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 3k1q s GLN 3 N -3.24 2.93 0.00 0.00 0.74 -1.26 -5.04 119.66 113.80 3k1q s GLN 3 Ca 0.06 -0.81 0.00 0.00 0.05 0.00 0.00 55.36 54.66 3k1q s GLN 3 Cb 0.10 -2.51 0.00 0.00 1.10 0.00 0.00 33.01 31.70 3k1q s GLN 3 CO 0.45 -0.19 0.00 0.54 -0.55 0.00 0.00 175.29 175.54 3k1q n ARG 4 N 4.57 0.00 -3.24 1.67 5.12 -1.26 -4.55 116.66 118.97 3k1q n ARG 4 Ca -0.21 0.00 -0.38 0.00 -1.93 0.00 0.00 57.85 55.33 3k1q n ARG 4 Cb 0.50 -0.67 -0.02 0.00 -1.16 0.00 0.00 32.46 31.11 3k1q n ARG 4 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3k1q n GLN 5 N 0.56 3.63 -3.55 5.56 10.64 -1.26 -4.83 117.38 128.13 3k1q n GLN 5 Ca 0.00 -4.56 -0.40 0.00 -1.83 0.00 0.00 57.00 50.21 3k1q n GLN 5 Cb 0.00 -2.44 -0.05 0.00 -0.86 0.00 0.00 30.24 26.89 3k1q n GLN 5 CO 0.00 0.00 0.00 -0.06 -1.83 0.00 0.00 177.06 175.17 3k1q s PHE 6 N -2.33 3.80 -0.07 2.61 2.99 -1.26 -5.05 117.98 118.67 3k1q s PHE 6 Ca 0.33 -2.69 -0.01 0.00 0.00 0.00 0.00 56.93 54.55 3k1q s PHE 6 Cb 0.04 -3.44 0.03 0.00 0.00 0.00 0.00 43.02 39.64 3k1q s PHE 6 CO 0.02 -0.85 -0.02 -0.06 -0.00 0.00 0.00 175.22 174.31 3k1q s PHE 7 N -0.71 0.80 -0.26 0.36 0.40 -1.23 -2.07 117.98 115.26 3k1q s PHE 7 Ca 0.23 -0.26 -0.03 0.00 -0.60 0.00 0.00 56.93 56.27 3k1q s PHE 7 Cb -0.12 -0.84 0.10 0.00 0.51 0.00 0.00 43.02 42.67 3k1q s PHE 7 CO -0.09 -0.33 0.18 0.20 0.70 0.00 0.00 175.22 175.87 3k1q s GLY 8 N 1.77 0.26 -0.07 4.36 0.00 0.62 -3.39 107.32 110.88 3k1q s GLY 8 Ca 0.03 -0.61 -0.30 0.00 0.00 0.00 0.00 44.72 43.83 3k1q s GLY 8 CO -0.05 2.17 1.33 -2.27 0.00 0.00 0.00 173.10 174.28 3k1q s LEU 9 N 2.20 4.27 0.49 0.66 2.96 -1.26 -0.14 118.68 127.85 3k1q s LEU 9 Ca 0.08 1.92 -0.23 0.00 -0.22 0.00 0.00 54.13 55.68 3k1q s LEU 9 Cb -0.15 -3.55 -0.06 0.00 0.50 0.00 0.00 46.19 42.92 3k1q s LEU 9 CO -0.29 -0.71 1.28 0.42 -1.32 0.00 0.00 176.35 175.73 3k1q s THR 10 N 2.81 2.55 -0.24 3.68 -4.23 -0.68 -3.98 115.64 115.56 3k1q s THR 10 Ca 0.60 0.43 -0.29 0.00 -1.18 0.00 0.00 61.69 61.25 3k1q s THR 10 Cb -0.27 -3.22 -0.00 0.00 1.34 0.00 0.00 72.50 70.35 3k1q s THR 10 CO 0.22 0.01 1.20 -0.47 -0.54 0.00 0.00 174.62 175.04 3k1q s TYR 11 N -1.39 2.94 0.79 3.99 6.04 -1.26 -4.77 117.35 123.69 3k1q s TYR 11 Ca 0.66 1.09 -0.12 0.00 0.04 0.00 0.00 57.07 58.73 3k1q s TYR 11 Cb -0.36 -3.59 0.07 0.00 -1.04 0.00 0.00 41.96 37.05 3k1q s TYR 11 CO 0.43 -1.33 1.15 0.54 -1.54 0.00 0.00 175.55 174.80 3k1q s ASN 12 N 2.00 3.93 -0.22 4.32 4.22 -1.26 -4.88 114.94 123.05 3k1q s ASN 12 Ca 0.52 2.15 -0.29 0.00 -2.14 0.00 0.00 52.86 53.10 3k1q s ASN 12 Cb -0.18 -2.56 0.01 0.00 1.28 0.00 0.00 41.25 39.80 3k1q s ASN 12 CO 0.15 -2.43 1.02 -0.36 -2.04 0.00 0.00 177.10 173.44 3k1q s PHE 13 N -2.43 3.35 -1.27 1.54 0.40 -1.26 -4.89 117.98 113.42 3k1q s PHE 13 Ca 0.68 1.45 -0.12 0.00 -0.60 0.00 0.00 56.93 58.34 3k1q s PHE 13 Cb -0.24 -3.24 0.15 0.00 0.51 0.00 0.00 43.02 40.20 3k1q s PHE 13 CO 0.51 -0.45 1.74 0.66 0.70 0.00 0.00 175.22 178.38 3k1q n TYR 14 N 6.19 3.87 0.00 0.36 4.02 -1.26 -4.52 117.16 125.82 3k1q n TYR 14 Ca 0.11 -3.02 0.00 0.00 -0.01 0.00 0.00 57.90 54.98 3k1q n TYR 14 Cb 0.46 -2.14 0.00 0.00 -0.02 0.00 0.00 39.34 37.64 3k1q n TYR 14 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3k1q n GLY 15 N 3.58 2.04 3.77 2.72 0.00 -1.26 -4.96 105.19 111.07 3k1q n GLY 15 Ca 0.40 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 46.03 3k1q n GLY 15 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3k1q s GLN 16 N 0.00 4.33 0.00 1.61 -1.52 -1.26 -4.97 119.66 117.85 3k1q s GLN 16 Ca 0.00 1.88 0.00 0.00 -1.95 0.00 0.00 55.36 55.29 3k1q s GLN 16 Cb 0.00 -2.92 0.00 0.00 -0.22 0.00 0.00 33.01 29.87 3k1q s GLN 16 CO 0.00 -0.09 0.33 -0.35 -0.25 0.00 0.00 175.29 174.92 3k1q n PRO 17 N 0.60 0.62 -3.49 2.91 -0.04 -1.26 -4.81 135.00 129.53 3k1q n PRO 17 Ca 0.02 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.34 3k1q n PRO 17 Cb 0.45 -1.30 -0.04 0.00 -0.04 0.00 0.00 33.50 32.57 3k1q n PRO 17 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3k1q s ALA 18 N -0.92 -1.74 0.39 0.55 0.00 -1.26 -5.16 121.76 113.62 3k1q s ALA 18 Ca 0.00 1.01 -0.26 0.00 0.00 0.00 0.00 51.96 52.71 3k1q s ALA 18 Cb 0.00 0.30 -0.09 0.00 0.00 0.00 0.00 23.12 23.33 3k1q s ALA 18 CO 0.00 -0.56 1.19 -2.14 0.00 0.00 0.00 175.76 174.25 3k1q s PRO 19 N -2.40 4.12 -1.41 0.00 0.02 -1.26 -4.69 135.00 129.38 3k1q s PRO 19 Ca -0.03 1.90 -0.15 0.00 0.02 0.00 0.00 61.00 62.74 3k1q s PRO 19 Cb -0.01 -2.76 0.05 0.00 0.02 0.00 0.00 34.50 31.80 3k1q s PRO 19 CO -0.02 -0.28 2.09 1.28 -0.33 0.00 0.00 177.00 179.73 3k1q n LEU 20 N 0.23 6.29 -4.37 -5.54 4.32 -1.26 -4.82 117.00 111.85 3k1q n LEU 20 Ca 0.03 -4.06 -0.19 0.00 -0.02 0.00 0.00 56.01 51.77 3k1q n LEU 20 Cb 0.46 -1.68 -0.10 0.00 -1.62 0.00 0.00 43.42 40.47 3k1q n LEU 20 CO 0.52 0.82 -0.35 0.72 -1.22 0.00 0.00 177.39 177.88 3k1q s PHE 21 N 3.53 1.71 -0.05 -1.77 -0.12 -0.09 -4.81 117.98 116.37 3k1q s PHE 21 Ca 0.49 -0.82 -0.00 0.00 -0.05 0.00 0.00 56.93 56.54 3k1q s PHE 21 Cb 0.11 -0.98 0.03 0.00 -0.63 0.00 0.00 43.02 41.55 3k1q s PHE 21 CO -0.04 0.10 -0.01 0.34 -0.05 0.00 0.00 175.22 175.56 3k1q s ASP 22 N -3.36 1.16 0.17 1.98 -1.08 -1.26 -3.75 116.67 110.54 3k1q s ASP 22 Ca 0.28 -0.07 -0.14 0.00 -0.52 0.00 0.00 52.55 52.10 3k1q s ASP 22 Cb 0.05 -0.38 0.13 0.00 -1.46 0.00 0.00 42.92 41.25 3k1q s ASP 22 CO 0.10 -0.14 1.76 0.25 0.52 0.00 0.00 175.17 177.65 3k1q h LEU 23 N 7.82 0.22 -0.64 -1.34 6.46 -2.00 -0.22 115.31 125.61 3k1q h LEU 23 Ca -0.29 0.04 0.12 0.00 -0.12 0.00 0.00 57.88 57.64 3k1q h LEU 23 Cb 1.13 0.01 -0.09 0.00 -0.73 0.00 0.00 40.66 40.99 3k1q h LEU 23 CO 0.35 0.16 0.17 0.78 -0.62 0.00 0.00 178.44 179.28 3k1q h ASN 24 N 0.37 0.07 0.51 1.25 4.21 -2.00 -1.60 115.58 118.40 3k1q h ASN 24 Ca 0.21 0.11 -0.16 0.00 1.21 0.00 0.00 56.30 57.67 3k1q h ASN 24 Cb 0.18 0.14 -0.01 0.00 -1.12 0.00 0.00 38.32 37.51 3k1q h ASN 24 CO -0.19 0.03 -0.69 0.44 -1.29 0.00 0.00 177.43 175.72 3k1q h ASP 25 N 0.30 0.18 0.31 5.81 5.19 -1.50 -1.57 116.42 125.15 3k1q h ASP 25 Ca 0.34 -0.12 -0.20 0.00 -0.62 0.00 0.00 57.03 56.43 3k1q h ASP 25 Cb 0.50 -0.05 -0.00 0.00 0.18 0.00 0.00 39.33 39.96 3k1q h ASP 25 CO -0.40 0.82 -0.82 -0.07 -3.12 0.00 0.00 179.24 175.65 3k1q h LEU 26 N 0.10 0.49 0.17 1.55 3.38 -0.64 -0.37 115.31 119.99 3k1q h LEU 26 Ca -0.02 -0.35 -0.01 0.00 0.09 0.00 0.00 57.88 57.60 3k1q h LEU 26 Cb 1.23 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.84 3k1q h LEU 26 CO 0.10 1.12 -0.08 1.56 0.09 0.00 0.00 178.44 181.22 3k1q h GLN 27 N 0.25 -0.23 -1.00 1.13 4.20 -1.32 -3.17 115.11 114.97 3k1q h GLN 27 Ca -0.05 0.02 0.16 0.00 0.06 0.00 0.00 58.65 58.83 3k1q h GLN 27 Cb 1.42 0.05 -0.09 0.00 0.30 0.00 0.00 27.48 29.15 3k1q h GLN 27 CO 0.14 0.01 0.62 0.93 -0.67 0.00 0.00 178.83 179.86 3k1q h GLU 28 N -0.44 0.83 0.00 1.46 5.08 -0.77 -1.33 114.58 119.42 3k1q h GLU 28 Ca -0.02 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 3k1q h GLU 28 Cb 0.34 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.40 3k1q h GLU 28 CO 0.04 0.55 0.00 -0.11 -1.00 0.00 0.00 179.01 178.49 3k1q n LEU 29 N -4.68 0.18 -1.56 1.33 7.94 -0.20 -3.53 117.00 116.48 3k1q n LEU 29 Ca 0.21 0.55 -0.10 0.00 -1.11 0.00 0.00 56.01 55.56 3k1q n LEU 29 Cb 0.47 -0.53 0.06 0.00 0.53 0.00 0.00 43.42 43.95 3k1q n LEU 29 CO 0.25 -0.38 0.90 0.00 -1.11 0.00 0.00 177.39 177.05 3k1q n ALA 30 N -1.57 4.00 0.02 1.96 0.00 -0.50 -4.59 120.51 119.83 3k1q n ALA 30 Ca 0.03 -1.14 -0.06 0.00 0.00 0.00 0.00 53.44 52.27 3k1q n ALA 30 Cb 0.16 -1.20 0.13 0.00 0.00 0.00 0.00 19.45 18.53 3k1q n ALA 30 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3k1q h GLY 31 N 2.81 0.51 -0.01 0.00 0.00 -1.80 -3.27 103.07 101.32 3k1q h GLY 31 Ca 0.23 -0.52 0.00 0.00 0.00 0.00 0.00 47.33 47.04 3k1q h GLY 31 CO 0.46 0.47 0.00 0.00 0.00 0.00 0.00 176.54 177.47 3k1q s TYR 33 N -2.80 0.09 0.00 0.00 -0.85 -1.23 -5.09 117.35 107.47 3k1q s TYR 33 Ca 0.31 -0.55 0.00 0.00 -0.52 0.00 0.00 57.07 56.31 3k1q s TYR 33 Cb 0.27 0.73 0.00 0.00 0.38 0.00 0.00 41.96 43.34 3k1q s TYR 33 CO 0.03 -1.06 0.00 0.00 -1.52 0.00 0.00 175.55 173.00 3k1q n ALA 34 N -0.68 0.17 -1.06 9.51 0.00 -1.26 -4.80 120.51 122.38 3k1q n ALA 34 Ca -0.04 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.07 3k1q n ALA 34 Cb 0.59 0.00 0.13 0.00 0.00 0.00 0.00 19.45 20.18 3k1q n ALA 34 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3k1q n ARG 35 N -0.24 0.12 0.00 0.00 5.12 -1.26 -3.57 116.66 116.83 3k1q n ARG 35 Ca 0.00 0.12 0.00 0.00 -1.93 0.00 0.00 57.85 56.04 3k1q n ARG 35 Cb 0.00 -2.43 0.00 0.00 -1.16 0.00 0.00 32.46 28.87 3k1q n ARG 35 CO 0.00 0.00 0.00 -2.30 -1.93 0.00 0.00 177.63 173.40 3k1q n PRO 36 N -3.34 2.26 -2.31 5.56 -0.02 -1.26 -4.81 135.00 131.07 3k1q n PRO 36 Ca 0.13 0.00 -0.41 0.00 -2.02 0.00 0.00 63.50 61.21 3k1q n PRO 36 Cb 0.51 0.00 -0.03 0.00 -0.02 0.00 0.00 33.50 33.96 3k1q n PRO 36 CO 0.00 0.00 0.00 -0.46 1.98 0.00 0.00 175.50 177.02 3k1q s TRP 37 N 0.00 2.09 0.47 6.00 -0.00 -1.26 -4.92 118.94 121.32 3k1q s TRP 37 Ca 0.00 0.45 0.02 0.00 -0.00 0.00 0.00 56.10 56.57 3k1q s TRP 37 Cb 0.00 -4.35 -0.02 0.00 -0.00 0.00 0.00 33.47 29.10 3k1q s TRP 37 CO 0.00 -2.14 0.04 0.95 -0.00 0.00 0.00 176.95 175.81 3k1q s THR 38 N 6.86 1.02 0.32 5.86 -4.23 -1.26 -4.85 115.64 119.37 3k1q s THR 38 Ca 0.54 -2.00 0.08 0.00 -1.18 0.00 0.00 61.69 59.13 3k1q s THR 38 Cb -0.11 -2.27 0.35 0.00 1.34 0.00 0.00 72.50 71.80 3k1q s THR 38 CO 0.22 0.00 1.62 0.77 -0.54 0.00 0.00 174.62 176.69 3k1q h SER 39 N 1.52 0.05 -0.91 3.99 4.64 -1.98 -1.96 113.55 118.90 3k1q h SER 39 Ca -0.41 0.23 0.18 0.00 -0.47 0.00 0.00 61.79 61.32 3k1q h SER 39 Cb 1.30 0.29 -0.11 0.00 -0.31 0.00 0.00 62.40 63.58 3k1q h SER 39 CO 0.69 -0.26 0.49 0.03 -0.87 0.00 0.00 176.83 176.91 3k1q h ARG 40 N 0.14 0.59 -0.05 4.77 3.08 -1.96 0.95 114.38 121.90 3k1q h ARG 40 Ca 0.66 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.67 3k1q h ARG 40 Cb 1.49 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 31.40 3k1q h ARG 40 CO -0.73 0.39 0.02 0.35 -1.07 0.00 0.00 179.97 178.93 3k1q h PHE 41 N 0.61 0.09 -0.88 3.04 3.57 -1.71 -2.51 116.94 119.15 3k1q h PHE 41 Ca 0.53 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 62.02 3k1q h PHE 41 Cb 0.85 -0.03 -0.04 0.00 2.79 0.00 0.00 35.95 39.52 3k1q h PHE 41 CO -0.07 0.23 0.56 0.77 -2.23 0.00 0.00 178.31 177.56 3k1q h SER 42 N -0.08 1.03 0.93 0.41 0.02 -1.53 0.06 113.55 114.38 3k1q h SER 42 Ca 0.02 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 3k1q h SER 42 Cb 0.18 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.46 3k1q h SER 42 CO -0.00 0.77 0.00 1.57 -1.14 0.00 0.00 176.83 178.03 3k1q n HIS 43 N -4.38 0.00 -0.07 3.45 -0.00 0.30 -0.05 115.22 114.48 3k1q n HIS 43 Ca 0.10 0.00 -0.22 0.00 -0.00 0.00 0.00 57.72 57.60 3k1q n HIS 43 Cb 0.04 -0.48 -0.12 0.00 -0.00 0.00 0.00 29.99 29.42 3k1q n HIS 43 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.34 176.27 3k1q h LEU 44 N 0.00 0.14 0.13 0.27 3.38 -1.09 -3.29 115.31 114.84 3k1q h LEU 44 Ca 0.00 -0.65 0.02 0.00 0.09 0.00 0.00 57.88 57.33 3k1q h LEU 44 Cb 0.47 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.14 3k1q h LEU 44 CO 0.00 1.59 -0.26 0.00 0.09 0.00 0.00 178.44 179.86 3k1q h ALA 45 N -0.31 -0.46 -2.10 1.53 0.00 -0.83 -2.53 119.26 114.57 3k1q h ALA 45 Ca -0.36 -0.04 -0.74 0.00 0.00 0.00 0.00 54.91 53.76 3k1q h ALA 45 Cb 1.53 0.42 -0.32 0.00 0.00 0.00 0.00 17.79 19.41 3k1q h ALA 45 CO -0.11 -0.80 0.32 -0.89 0.00 0.00 0.00 179.25 177.76 3k1q n ILE 46 N -5.38 4.30 -2.08 0.00 -0.00 0.93 -4.86 119.36 112.27 3k1q n ILE 46 Ca -0.07 -5.65 -0.33 0.00 -0.00 0.00 0.00 62.75 56.70 3k1q n ILE 46 Cb 0.29 -2.13 0.01 0.00 -0.00 0.00 0.00 39.64 37.81 3k1q n ILE 46 CO 0.00 0.00 0.00 -0.55 -0.00 0.00 0.00 176.55 176.00 3k1q s SER 47 N -1.70 5.65 0.00 4.38 0.15 -0.95 -4.36 113.70 116.87 3k1q s SER 47 Ca 0.33 1.96 0.31 0.00 0.70 0.00 0.00 55.95 59.25 3k1q s SER 47 Cb 0.06 -2.55 1.73 0.00 -1.71 0.00 0.00 66.02 63.55 3k1q s SER 47 CO 0.05 -1.26 2.14 0.35 1.20 0.00 0.00 173.24 175.72 3k1q n THR 48 N -1.83 0.01 -0.03 6.45 -2.24 -1.26 -3.97 114.28 111.41 3k1q n THR 48 Ca 0.10 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.86 3k1q n THR 48 Cb 0.52 -0.51 -0.05 0.00 -2.10 0.00 0.00 70.33 68.19 3k1q n THR 48 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3k1q n GLY 49 N 1.08 -0.30 3.58 3.38 0.00 -1.26 -5.10 105.19 106.56 3k1q n GLY 49 Ca 0.20 -0.11 -0.16 0.00 0.00 0.00 0.00 46.02 45.95 3k1q n GLY 49 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3k1q s SER 50 N -3.64 -0.71 -0.45 1.61 0.15 -1.25 -5.09 113.70 104.32 3k1q s SER 50 Ca -0.03 1.12 0.02 0.00 0.70 0.00 0.00 55.95 57.77 3k1q s SER 50 Cb 0.02 1.05 0.14 0.00 -1.71 0.00 0.00 66.02 65.52 3k1q s SER 50 CO 0.26 -0.41 0.26 -0.76 1.20 0.00 0.00 173.24 173.78 3k1q s LEU 51 N -0.32 2.74 -0.52 3.45 1.43 -1.26 -3.51 118.68 120.69 3k1q s LEU 51 Ca -0.05 -2.72 -0.26 0.00 -1.03 0.00 0.00 54.13 50.07 3k1q s LEU 51 Cb -0.03 -1.04 -0.06 0.00 0.03 0.00 0.00 46.19 45.10 3k1q s LEU 51 CO 0.05 -0.25 2.29 -2.84 0.23 0.00 0.00 176.35 175.82 3k1q s PRO 52 N 0.24 2.21 -0.49 1.29 0.02 -1.26 -4.91 135.00 132.10 3k1q s PRO 52 Ca 0.19 1.22 -0.26 0.00 0.02 0.00 0.00 61.00 62.17 3k1q s PRO 52 Cb -0.22 -4.54 -0.07 0.00 0.02 0.00 0.00 34.50 29.70 3k1q s PRO 52 CO -0.02 -3.17 2.38 0.14 -0.33 0.00 0.00 177.00 176.00 3k1q s VAL 53 N 11.53 3.02 -0.22 3.83 -7.23 -1.26 -3.91 120.40 126.16 3k1q s VAL 53 Ca 0.91 0.01 -0.02 0.00 -1.81 0.00 0.00 61.98 61.07 3k1q s VAL 53 Cb -0.16 -3.06 0.01 0.00 0.56 0.00 0.00 36.38 33.73 3k1q s VAL 53 CO 0.25 -0.06 0.04 0.79 -0.31 0.00 0.00 175.10 175.81 3k1q n TRP 54 N 15.61 -3.20 -3.46 2.82 8.01 -1.19 -5.02 117.44 131.01 3k1q n TRP 54 Ca 0.36 1.52 -0.36 0.00 -1.31 0.00 0.00 57.50 57.70 3k1q n TRP 54 Cb 0.54 -3.34 -0.06 0.00 -2.01 0.00 0.00 31.31 26.45 3k1q n TRP 54 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.69 177.13 3k1q s SER 55 N -1.31 6.80 0.30 -0.99 0.15 -1.10 -4.92 113.70 112.63 3k1q s SER 55 Ca -0.04 0.98 0.01 0.00 0.70 0.00 0.00 55.95 57.60 3k1q s SER 55 Cb 0.00 -2.25 0.72 0.00 -1.71 0.00 0.00 66.02 62.79 3k1q s SER 55 CO 0.61 0.22 1.58 0.00 1.20 0.00 0.00 173.24 176.85 3k1q h ALA 56 N 4.09 1.15 0.00 5.45 0.00 -1.95 0.52 119.26 128.52 3k1q h ALA 56 Ca -0.50 0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3k1q h ALA 56 Cb 1.20 0.55 0.00 0.00 0.00 0.00 0.00 17.79 19.55 3k1q h ALA 56 CO 0.64 -0.55 -1.92 0.54 0.00 0.00 0.00 179.25 177.96 3k1q n ARG 57 N -5.45 0.61 -3.83 0.00 5.12 -1.26 -4.79 116.66 107.06 3k1q n ARG 57 Ca 0.22 -0.18 -0.29 0.00 -1.93 0.00 0.00 57.85 55.67 3k1q n ARG 57 Cb 0.73 -1.51 -0.13 0.00 -1.16 0.00 0.00 32.46 30.39 3k1q n ARG 57 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 3k1q s TYR 58 N -3.47 2.92 0.30 -1.55 1.51 0.16 -4.82 117.35 112.40 3k1q s TYR 58 Ca -0.07 -3.03 0.02 0.00 -1.01 0.00 0.00 57.07 52.99 3k1q s TYR 58 Cb 0.14 -2.41 0.59 0.00 -0.11 0.00 0.00 41.96 40.17 3k1q s TYR 58 CO 0.90 -0.67 1.85 -1.35 -1.11 0.00 0.00 175.55 175.17 3k1q h PRO 59 N 5.98 0.93 -5.06 -1.71 0.11 -1.74 -2.90 132.00 127.60 3k1q h PRO 59 Ca 0.07 -0.06 -0.58 0.00 0.11 0.00 0.00 66.00 65.54 3k1q h PRO 59 Cb 0.84 -0.21 -0.13 0.00 0.11 0.00 0.00 31.00 31.61 3k1q h PRO 59 CO 0.63 0.61 -0.51 -1.54 -0.21 0.00 0.00 178.00 176.98 3k1q s SER 60 N -5.75 2.98 0.25 -2.05 1.04 -1.26 -3.16 113.70 105.75 3k1q s SER 60 Ca -0.12 -1.67 -0.05 0.00 0.48 0.00 0.00 55.95 54.59 3k1q s SER 60 Cb 0.22 0.51 0.32 0.00 0.10 0.00 0.00 66.02 67.16 3k1q s SER 60 CO 0.80 -0.92 1.88 0.58 0.98 0.00 0.00 173.24 176.56 3k1q h VAL 61 N 1.73 1.11 -0.89 5.02 2.07 -1.85 -3.12 116.25 120.32 3k1q h VAL 61 Ca -0.36 -0.38 -0.01 0.00 0.82 0.00 0.00 66.70 66.77 3k1q h VAL 61 Cb 1.28 -0.09 -0.04 0.00 -1.52 0.00 0.00 31.29 30.92 3k1q h VAL 61 CO 0.59 0.20 0.52 0.00 0.02 0.00 0.00 177.57 178.90 3k1q h ALA 62 N 1.40 1.23 -0.95 1.67 0.00 -1.93 -1.92 119.26 118.76 3k1q h ALA 62 Ca 0.38 -0.11 0.27 0.00 0.00 0.00 0.00 54.91 55.45 3k1q h ALA 62 Cb 0.07 -0.36 -0.14 0.00 0.00 0.00 0.00 17.79 17.36 3k1q h ALA 62 CO -0.14 0.64 0.44 0.77 0.00 0.00 0.00 179.25 180.96 3k1q h SER 63 N 1.23 0.35 -0.33 0.00 0.02 -1.79 0.17 113.55 113.20 3k1q h SER 63 Ca 0.32 0.18 -0.09 0.00 -0.84 0.00 0.00 61.79 61.36 3k1q h SER 63 Cb -0.02 0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.67 3k1q h SER 63 CO -0.06 -0.10 -0.12 0.03 -1.14 0.00 0.00 176.83 175.44 3k1q h ARG 64 N 0.32 0.76 0.61 3.45 3.08 -1.45 0.33 114.38 121.49 3k1q h ARG 64 Ca 0.65 -0.25 -0.03 0.00 0.07 0.00 0.00 59.98 60.41 3k1q h ARG 64 Cb 1.38 -0.06 0.01 0.00 0.08 0.00 0.00 29.97 31.37 3k1q h ARG 64 CO -0.60 0.85 -0.29 -0.91 -1.07 0.00 0.00 179.97 177.94 3k1q h ASN 65 N 0.69 -0.70 -0.71 7.04 4.21 -0.76 -0.44 115.58 124.92 3k1q h ASN 65 Ca 0.12 -0.02 0.12 0.00 1.21 0.00 0.00 56.30 57.73 3k1q h ASN 65 Cb 0.59 0.18 -0.05 0.00 -1.12 0.00 0.00 38.32 37.93 3k1q h ASN 65 CO 0.04 -0.41 0.47 0.40 -1.29 0.00 0.00 177.43 176.65 3k1q h ILE 66 N -0.96 0.85 0.01 2.81 1.08 0.10 -1.51 117.51 119.88 3k1q h ILE 66 Ca -0.08 -0.16 -0.18 0.00 -0.39 0.00 0.00 64.86 64.04 3k1q h ILE 66 Cb 0.67 0.35 0.02 0.00 -3.07 0.00 0.00 36.82 34.79 3k1q h ILE 66 CO 0.14 0.08 -0.73 0.58 -0.69 0.00 0.00 178.15 177.53 3k1q h VAL 67 N 0.46 1.39 -0.94 1.67 2.07 -0.66 -2.41 116.25 117.84 3k1q h VAL 67 Ca 0.34 -2.15 0.23 0.00 0.82 0.00 0.00 66.70 65.94 3k1q h VAL 67 Cb 0.69 2.58 -0.12 0.00 -1.52 0.00 0.00 31.29 32.92 3k1q h VAL 67 CO -0.11 0.63 0.48 1.62 0.02 0.00 0.00 177.57 180.21 3k1q h VAL 68 N 0.00 0.50 0.09 2.57 3.04 -0.94 0.19 116.25 121.71 3k1q h VAL 68 Ca -0.09 -0.16 0.01 0.00 -1.01 0.00 0.00 66.70 65.44 3k1q h VAL 68 Cb 1.43 -0.02 -0.02 0.00 -2.01 0.00 0.00 31.29 30.68 3k1q h VAL 68 CO 0.14 0.09 -0.14 -1.13 -1.01 0.00 0.00 177.57 175.52 3k1q h ASN 69 N 0.47 -0.37 0.49 3.17 -0.73 -0.87 -2.33 115.58 115.41 3k1q h ASN 69 Ca 0.60 0.04 -0.10 0.00 1.87 0.00 0.00 56.30 58.71 3k1q h ASN 69 Cb 1.13 0.14 -0.01 0.00 0.27 0.00 0.00 38.32 39.85 3k1q h ASN 69 CO -0.51 -0.20 -0.45 0.71 -0.37 0.00 0.00 177.43 176.61 3k1q h THR 70 N -0.28 1.29 0.44 -3.57 1.35 -0.93 0.13 112.91 111.34 3k1q h THR 70 Ca 0.02 -1.57 -0.02 0.00 -0.55 0.00 0.00 66.41 64.28 3k1q h THR 70 Cb 0.29 1.86 0.00 0.00 -1.73 0.00 0.00 68.15 68.57 3k1q h THR 70 CO -0.07 0.44 -0.23 0.25 -0.25 0.00 0.00 175.52 175.67 3k1q h LEU 71 N 0.00 -0.55 -0.58 3.87 5.85 -0.47 0.05 115.31 123.47 3k1q h LEU 71 Ca -0.00 0.02 0.08 0.00 0.84 0.00 0.00 57.88 58.82 3k1q h LEU 71 Cb 0.82 0.15 -0.10 0.00 0.37 0.00 0.00 40.66 41.90 3k1q h LEU 71 CO 0.06 -0.38 -0.48 -0.07 -0.34 0.00 0.00 178.44 177.24 3k1q h LEU 72 N -0.61 -1.64 -0.83 2.25 4.07 -1.38 -2.16 115.31 115.01 3k1q h LEU 72 Ca -0.06 0.25 0.26 0.00 0.08 0.00 0.00 57.88 58.41 3k1q h LEU 72 Cb 0.48 0.73 -0.15 0.00 1.08 0.00 0.00 40.66 42.79 3k1q h LEU 72 CO 0.09 -0.34 0.12 0.61 -1.08 0.00 0.00 178.44 177.84 3k1q n GLY 73 N -1.39 -1.01 0.00 0.83 0.00 0.45 -0.38 105.19 103.69 3k1q n GLY 73 Ca 0.01 0.78 0.00 0.00 0.00 0.00 0.00 46.02 46.81 3k1q n GLY 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k1q n ALA 74 N -3.04 0.00 0.23 4.61 0.00 -0.02 -4.19 120.51 118.10 3k1q n ALA 74 Ca 0.22 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.78 3k1q n ALA 74 Cb 0.74 0.00 0.35 0.00 0.00 0.00 0.00 19.45 20.55 3k1q n ALA 74 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.50 178.62 3k1q h HIS 75 N 0.00 0.00 -0.33 0.00 2.07 -1.35 -2.98 115.15 112.56 3k1q h HIS 75 Ca 0.00 0.00 -0.16 0.00 -2.85 0.00 0.00 60.37 57.36 3k1q h HIS 75 Cb 0.00 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 29.98 3k1q h HIS 75 CO 0.00 0.12 -0.41 1.25 -3.07 0.00 0.00 177.93 175.82 3k1q h LEU 76 N 0.00 0.94 -1.35 6.12 5.85 -0.89 -3.31 115.31 122.65 3k1q h LEU 76 Ca -0.00 -0.49 0.35 0.00 0.84 0.00 0.00 57.88 58.59 3k1q h LEU 76 Cb 0.87 -0.26 -0.12 0.00 0.37 0.00 0.00 40.66 41.52 3k1q h LEU 76 CO 0.02 1.24 0.75 -0.55 -0.34 0.00 0.00 178.44 179.55 3k1q h ASN 77 N 0.66 0.35 -0.85 1.25 7.08 -1.48 0.39 115.58 122.98 3k1q h ASN 77 Ca 0.04 0.12 0.31 0.00 -3.08 0.00 0.00 56.30 53.69 3k1q h ASN 77 Cb 1.00 0.08 -0.16 0.00 -2.08 0.00 0.00 38.32 37.17 3k1q h ASN 77 CO 0.10 -0.07 0.28 -2.65 -2.08 0.00 0.00 177.43 173.00 3k1q n PRO 78 N -4.70 -0.06 -0.12 4.14 -0.02 -1.25 -1.53 135.00 131.46 3k1q n PRO 78 Ca 0.32 1.22 0.01 0.00 -2.02 0.00 0.00 63.50 63.03 3k1q n PRO 78 Cb 1.16 -2.08 0.30 0.00 -0.02 0.00 0.00 33.50 32.87 3k1q n PRO 78 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 3k1q h PHE 79 N 0.00 0.77 0.00 6.00 3.57 -1.12 -0.81 116.94 125.34 3k1q h PHE 79 Ca 0.64 0.00 0.00 0.00 3.53 0.00 0.00 57.97 62.14 3k1q h PHE 79 Cb 1.56 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 40.05 3k1q h PHE 79 CO -0.19 0.51 0.00 0.00 -2.23 0.00 0.00 178.31 176.41 3k1q h ALA 80 N 1.58 1.00 -2.49 2.41 0.00 -1.42 -3.39 119.26 116.95 3k1q h ALA 80 Ca 0.21 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.59 3k1q h ALA 80 Cb -0.03 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3k1q h ALA 80 CO -0.04 0.00 0.39 0.20 0.00 0.00 0.00 179.25 179.80 3k1q s GLY 81 N -3.83 2.89 0.00 0.00 0.00 -1.04 -4.61 107.32 100.73 3k1q s GLY 81 Ca 0.03 0.60 0.00 0.00 0.00 0.00 0.00 44.72 45.36 3k1q s GLY 81 CO 0.48 1.64 0.22 0.61 0.00 0.00 0.00 173.10 176.05 3k1q n GLY 82 N 2.65 0.64 0.00 0.20 0.00 -1.26 -1.16 105.19 106.25 3k1q n GLY 82 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 3k1q n GLY 82 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k1q n GLN 83 N 2.32 0.00 -2.08 1.61 -0.00 -1.26 -5.00 117.38 112.98 3k1q n GLN 83 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.00 56.99 3k1q n GLN 83 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 30.24 30.24 3k1q n GLN 83 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.06 176.17 3k1q n ILE 84 N 0.00 -6.42 -0.39 -0.39 5.41 -0.31 -4.85 119.36 112.41 3k1q n ILE 84 Ca 0.00 0.67 -0.05 0.00 1.00 0.00 0.00 62.75 64.38 3k1q n ILE 84 Cb 0.00 -5.41 -0.07 0.00 -0.71 0.00 0.00 39.64 33.46 3k1q n ILE 84 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 3k1q n THR 85 N 0.03 1.18 -2.58 1.39 -2.24 -0.34 -4.75 114.28 106.98 3k1q n THR 85 Ca 0.02 -0.59 -0.41 0.00 -2.27 0.00 0.00 64.05 60.80 3k1q n THR 85 Cb 0.08 -1.70 -0.03 0.00 -2.10 0.00 0.00 70.33 66.58 3k1q n THR 85 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3k1q s SER 86 N 2.62 6.30 0.29 3.42 0.15 -1.22 -4.33 113.70 120.92 3k1q s SER 86 Ca 0.26 -0.88 -0.19 0.00 0.70 0.00 0.00 55.95 55.85 3k1q s SER 86 Cb 0.13 -2.55 0.06 0.00 -1.71 0.00 0.00 66.02 61.95 3k1q s SER 86 CO -0.00 -1.68 0.91 -1.38 1.20 0.00 0.00 173.24 172.28 3k1q s HIS 87 N 5.32 0.09 0.00 3.44 -3.43 -1.26 -4.40 115.29 115.05 3k1q s HIS 87 Ca 0.38 -0.64 0.00 0.00 -0.80 0.00 0.00 55.06 54.00 3k1q s HIS 87 Cb -0.05 0.78 0.00 0.00 -1.43 0.00 0.00 32.58 31.87 3k1q s HIS 87 CO 0.05 -1.27 0.00 1.04 -2.00 0.00 0.00 174.74 172.56 3k1q n GLN 88 N -0.61 0.00 0.00 -0.38 1.13 -1.26 -4.85 117.38 111.41 3k1q n GLN 88 Ca -0.06 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.00 3k1q n GLN 88 Cb 0.60 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.95 3k1q n GLN 88 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3k1q n GLY 89 N 0.00 1.79 3.72 1.08 0.00 -1.26 -4.83 105.19 105.70 3k1q n GLY 89 Ca 0.00 0.24 -0.31 0.00 0.00 0.00 0.00 46.02 45.95 3k1q n GLY 89 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3k1q s ILE 90 N 0.00 2.71 -0.24 -0.61 2.07 -1.22 -2.86 121.20 121.05 3k1q s ILE 90 Ca 0.00 0.24 -0.27 0.00 -1.41 0.00 0.00 60.65 59.21 3k1q s ILE 90 Cb 0.00 -2.51 0.13 0.00 0.13 0.00 0.00 42.46 40.21 3k1q s ILE 90 CO 0.00 -0.30 1.08 0.28 -1.91 0.00 0.00 174.94 174.09 3k1q s THR 91 N -2.75 0.00 0.07 4.00 -1.32 0.73 -4.21 115.64 112.16 3k1q s THR 91 Ca 0.64 0.00 -0.31 0.00 -1.21 0.00 0.00 61.69 60.82 3k1q s THR 91 Cb -0.20 -1.00 -0.08 0.00 -1.51 0.00 0.00 72.50 69.71 3k1q s THR 91 CO 0.56 0.00 1.53 0.26 -2.21 0.00 0.00 174.62 174.77 3k1q s TRP 92 N -0.33 2.74 0.57 9.09 0.52 -1.26 -0.04 118.94 130.22 3k1q s TRP 92 Ca 0.02 0.59 0.34 0.00 0.02 0.00 0.00 56.10 57.07 3k1q s TRP 92 Cb -0.03 -3.83 1.87 0.00 -1.15 0.00 0.00 33.47 30.33 3k1q s TRP 92 CO -0.04 -3.20 2.05 0.00 0.02 0.00 0.00 176.95 175.78 3k1q h ARG 93 N 7.78 0.00 -1.31 4.98 3.08 -1.68 -3.45 114.38 123.78 3k1q h ARG 93 Ca -0.41 0.00 0.15 0.00 0.07 0.00 0.00 59.98 59.79 3k1q h ARG 93 Cb 1.20 0.00 -0.26 0.00 0.08 0.00 0.00 29.97 30.98 3k1q h ARG 93 CO 0.91 0.00 0.73 0.16 -1.07 0.00 0.00 179.97 180.70 3k1q s ASP 94 N -4.63 -0.21 0.52 7.04 1.47 -1.26 -5.07 116.67 114.52 3k1q s ASP 94 Ca -0.04 0.29 0.22 0.00 1.18 0.00 0.00 52.55 54.20 3k1q s ASP 94 Cb 0.10 0.25 1.33 0.00 -0.34 0.00 0.00 42.92 44.26 3k1q s ASP 94 CO 0.31 -0.16 2.02 1.55 0.68 0.00 0.00 175.17 179.57 3k1q h PRO 95 N 2.66 0.05 -0.82 2.11 0.13 -1.99 -0.83 132.00 133.32 3k1q h PRO 95 Ca -0.17 -0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.90 3k1q h PRO 95 Cb 1.18 -0.01 -0.03 0.00 0.13 0.00 0.00 31.00 32.26 3k1q h PRO 95 CO 0.23 0.03 0.07 1.33 -0.23 0.00 0.00 178.00 179.43 3k1q n VAL 96 N -4.42 1.65 -0.11 1.56 0.24 -1.26 -4.95 118.33 111.05 3k1q n VAL 96 Ca 0.08 -0.82 0.00 0.00 -2.04 0.00 0.00 64.34 61.55 3k1q n VAL 96 Cb 0.49 -0.44 0.00 0.00 -1.47 0.00 0.00 33.84 32.42 3k1q n VAL 96 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3k1q n LEU 97 N 0.20 0.21 0.00 1.34 -0.00 -0.32 -4.84 117.00 113.61 3k1q n LEU 97 Ca 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.20 3k1q n LEU 97 Cb 0.84 -0.35 0.00 0.00 -0.00 0.00 0.00 43.42 43.91 3k1q n LEU 97 CO 0.21 -0.11 0.01 -1.20 -0.00 0.00 0.00 177.39 176.30 3k1q n SER 98 N 0.00 0.00 -3.58 1.45 7.64 -1.26 -4.41 113.62 113.45 3k1q n SER 98 Ca 0.00 0.00 -0.06 0.00 1.01 0.00 0.00 58.87 59.82 3k1q n SER 98 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 3k1q n SER 98 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 3k1q s SER 99 N -0.74 -0.21 -0.04 6.43 0.01 -1.26 -4.66 113.70 113.23 3k1q s SER 99 Ca 0.00 0.09 0.01 0.00 1.31 0.00 0.00 55.95 57.36 3k1q s SER 99 Cb 0.00 0.20 -0.03 0.00 0.21 0.00 0.00 66.02 66.39 3k1q s SER 99 CO 0.00 -0.29 -0.02 -1.48 0.41 0.00 0.00 173.24 171.86 3k1q s LEU 100 N -1.82 3.41 -0.08 2.44 0.05 -1.23 -1.85 118.68 119.60 3k1q s LEU 100 Ca 0.06 0.01 0.00 0.00 0.05 0.00 0.00 54.13 54.26 3k1q s LEU 100 Cb -0.01 -1.87 -0.03 0.00 -2.05 0.00 0.00 46.19 42.24 3k1q s LEU 100 CO -0.05 0.32 -0.06 0.00 -0.55 0.00 0.00 176.35 176.01 3k1q s ALA 101 N -0.96 2.98 -0.07 1.48 0.00 0.94 -4.83 121.76 121.31 3k1q s ALA 101 Ca 0.16 -0.88 0.00 0.00 0.00 0.00 0.00 51.96 51.24 3k1q s ALA 101 Cb -0.11 -1.27 0.08 0.00 0.00 0.00 0.00 23.12 21.81 3k1q s ALA 101 CO 0.06 0.53 1.09 -0.35 0.00 0.00 0.00 175.76 177.09 3k1q n PRO 102 N 2.40 1.15 -3.65 0.00 -0.04 -1.26 -0.19 135.00 133.40 3k1q n PRO 102 Ca -0.18 -0.34 -0.02 0.00 -0.04 0.00 0.00 63.50 62.92 3k1q n PRO 102 Cb 0.53 -1.14 -0.07 0.00 -0.04 0.00 0.00 33.50 32.78 3k1q n PRO 102 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3k1q s VAL 103 N -0.39 0.00 0.42 0.52 0.11 -1.13 -3.42 120.40 116.51 3k1q s VAL 103 Ca 0.06 0.00 -0.23 0.00 -2.93 0.00 0.00 61.98 58.89 3k1q s VAL 103 Cb 0.05 -1.00 -0.09 0.00 -1.53 0.00 0.00 36.38 33.81 3k1q s VAL 103 CO 0.01 0.00 1.04 -2.84 -3.33 0.00 0.00 175.10 169.98 3k1q s PRO 104 N -0.07 4.07 1.03 1.54 0.02 -1.25 -4.62 135.00 135.72 3k1q s PRO 104 Ca 0.08 1.45 -0.17 0.00 0.02 0.00 0.00 61.00 62.38 3k1q s PRO 104 Cb -0.05 -2.40 0.22 0.00 0.02 0.00 0.00 34.50 32.29 3k1q s PRO 104 CO -0.16 -0.21 1.25 0.00 -0.33 0.00 0.00 177.00 177.54 3k1q s ALA 105 N -1.78 1.74 0.06 -1.55 0.00 -1.26 -4.97 121.76 114.00 3k1q s ALA 105 Ca 0.61 -1.08 0.00 0.00 0.00 0.00 0.00 51.96 51.49 3k1q s ALA 105 Cb -0.20 -2.83 0.14 0.00 0.00 0.00 0.00 23.12 20.23 3k1q s ALA 105 CO 0.25 -2.75 0.28 0.44 0.00 0.00 0.00 175.76 173.97 3k1q n ILE 106 N -4.05 -0.07 -3.28 0.00 -6.64 -1.26 -3.39 119.36 100.67 3k1q n ILE 106 Ca 0.14 0.39 -0.45 0.00 -1.77 0.00 0.00 62.75 61.06 3k1q n ILE 106 Cb 0.59 -0.57 -0.06 0.00 -1.44 0.00 0.00 39.64 38.16 3k1q n ILE 106 CO 0.00 0.00 0.00 -1.10 -1.77 0.00 0.00 176.55 173.68 3k1q s GLN 107 N -4.89 3.03 -0.20 6.28 -1.52 -1.26 -4.97 119.66 116.13 3k1q s GLN 107 Ca -0.02 -1.28 0.14 0.00 -1.95 0.00 0.00 55.36 52.24 3k1q s GLN 107 Cb 0.05 -4.17 0.75 0.00 -0.22 0.00 0.00 33.01 29.43 3k1q s GLN 107 CO 0.14 -1.18 1.65 -0.35 -0.25 0.00 0.00 175.29 175.29 3k1q n PRO 108 N 5.59 4.43 -0.30 2.91 -0.04 -1.22 -4.83 135.00 141.54 3k1q n PRO 108 Ca -0.11 -2.89 0.24 0.00 -0.04 0.00 0.00 63.50 60.70 3k1q n PRO 108 Cb 0.43 -2.15 0.55 0.00 -0.04 0.00 0.00 33.50 32.30 3k1q n PRO 108 CO 0.00 0.00 0.00 -1.35 -0.04 0.00 0.00 175.50 174.11 3k1q h PRO 109 N 3.76 0.31 -5.59 0.54 0.11 -1.93 -3.43 132.00 125.77 3k1q h PRO 109 Ca 0.00 -0.02 -0.52 0.00 0.11 0.00 0.00 66.00 65.57 3k1q h PRO 109 Cb 1.78 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.81 3k1q h PRO 109 CO 0.41 0.20 1.61 -2.30 -0.21 0.00 0.00 178.00 177.72 3k1q n PRO 110 N -4.53 0.93 -1.15 1.05 -0.02 -1.26 -4.95 135.00 125.07 3k1q n PRO 110 Ca 0.24 0.10 -0.30 0.00 -2.02 0.00 0.00 63.50 61.52 3k1q n PRO 110 Cb 0.90 -2.87 0.13 0.00 -0.02 0.00 0.00 33.50 31.64 3k1q n PRO 110 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3k1q s VAL 111 N 10.37 2.79 -0.06 -1.45 -7.23 -1.26 -4.24 120.40 119.32 3k1q s VAL 111 Ca 1.08 0.26 -0.00 0.00 -1.81 0.00 0.00 61.98 61.50 3k1q s VAL 111 Cb -0.52 -2.69 0.03 0.00 0.56 0.00 0.00 36.38 33.76 3k1q s VAL 111 CO 0.35 -0.33 -0.02 0.86 -0.31 0.00 0.00 175.10 175.65 3k1q s TRP 112 N -2.88 0.75 0.03 2.82 -0.00 -1.26 -3.45 118.94 114.93 3k1q s TRP 112 Ca 0.63 -0.22 -0.17 0.00 -0.00 0.00 0.00 56.10 56.34 3k1q s TRP 112 Cb -0.18 -0.77 -0.06 0.00 -0.00 0.00 0.00 33.47 32.46 3k1q s TRP 112 CO 0.57 -0.28 0.50 0.00 -0.00 0.00 0.00 176.95 177.73 3k1q s ALA 113 N 1.51 3.62 -0.75 5.86 0.00 -1.26 -4.98 121.76 125.76 3k1q s ALA 113 Ca -0.02 -0.09 -0.24 0.00 0.00 0.00 0.00 51.96 51.61 3k1q s ALA 113 Cb -0.13 -2.53 -0.15 0.00 0.00 0.00 0.00 23.12 20.31 3k1q s ALA 113 CO -0.03 0.40 2.40 1.33 0.00 0.00 0.00 175.76 179.86 3k1q n VAL 114 N 1.93 -0.02 -2.26 0.00 0.24 -1.26 -4.88 118.33 112.08 3k1q n VAL 114 Ca -0.12 -0.55 -0.41 0.00 -2.04 0.00 0.00 64.34 61.22 3k1q n VAL 114 Cb 0.51 -1.93 -0.03 0.00 -1.47 0.00 0.00 33.84 30.93 3k1q n VAL 114 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3k1q s ALA 115 N 12.51 3.47 0.00 2.33 0.00 -1.26 -5.07 121.76 133.74 3k1q s ALA 115 Ca 1.00 1.11 0.00 0.00 0.00 0.00 0.00 51.96 54.07 3k1q s ALA 115 Cb -0.26 -3.43 0.00 0.00 0.00 0.00 0.00 23.12 19.43 3k1q s ALA 115 CO 0.19 -0.46 0.00 -1.91 0.00 0.00 0.00 175.76 173.58 3k1q n GLU 116 N 1.40 0.00 -3.89 0.00 0.00 -1.26 -5.00 120.64 111.90 3k1q n GLU 116 Ca 0.01 0.00 -0.36 0.00 0.00 0.00 0.00 57.16 56.82 3k1q n GLU 116 Cb 0.43 0.00 -0.13 0.00 0.00 0.00 0.00 31.44 31.74 3k1q n GLU 116 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.13 178.34 3k1q s ASN 117 N 0.17 4.83 0.06 4.31 2.47 -1.26 -4.96 114.94 120.57 3k1q s ASN 117 Ca 0.00 -0.25 0.03 0.00 0.42 0.00 0.00 52.86 53.06 3k1q s ASN 117 Cb 0.00 -1.85 -0.03 0.00 -1.45 0.00 0.00 41.25 37.93 3k1q s ASN 117 CO 0.00 0.00 -0.10 0.68 -3.72 0.00 0.00 177.10 173.96 3k1q s VAL 118 N 1.38 0.78 -0.70 -5.21 -7.23 -1.26 -5.00 120.40 103.17 3k1q s VAL 118 Ca 0.05 -1.25 -0.16 0.00 -1.81 0.00 0.00 61.98 58.80 3k1q s VAL 118 Cb -0.15 -0.88 0.15 0.00 0.56 0.00 0.00 36.38 36.06 3k1q s VAL 118 CO 0.01 -0.37 0.72 -0.22 -0.31 0.00 0.00 175.10 174.93 3k1q s LEU 119 N -1.78 6.04 -0.78 1.32 2.96 -1.26 -1.68 118.68 123.49 3k1q s LEU 119 Ca -0.05 -2.03 -0.23 0.00 -0.22 0.00 0.00 54.13 51.60 3k1q s LEU 119 Cb -0.09 -2.26 -0.17 0.00 0.50 0.00 0.00 46.19 44.18 3k1q s LEU 119 CO 0.01 -0.86 2.40 0.18 -1.32 0.00 0.00 176.35 176.76 3k1q n LEU 120 N 5.26 1.13 -3.99 -0.68 4.77 0.80 -4.83 117.00 119.47 3k1q n LEU 120 Ca 0.01 -0.84 -0.40 0.00 -0.03 0.00 0.00 56.01 54.74 3k1q n LEU 120 Cb 0.44 -1.34 -0.01 0.00 -2.33 0.00 0.00 43.42 40.18 3k1q n LEU 120 CO 0.48 -1.89 0.84 0.47 -1.33 0.00 0.00 177.39 175.96 3k1q n ASP 121 N 14.47 5.67 0.28 -1.43 9.92 -1.25 -0.27 116.55 143.94 3k1q n ASP 121 Ca 0.51 -3.33 0.18 0.00 -0.53 0.00 0.00 54.79 51.62 3k1q n ASP 121 Cb 0.36 -1.18 0.96 0.00 -0.64 0.00 0.00 41.12 40.62 3k1q n ASP 121 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 3k1q h SER 122 N 5.52 0.00 -1.00 -2.24 0.02 -1.73 -2.68 113.55 111.43 3k1q h SER 122 Ca 0.19 0.00 0.20 0.00 -0.84 0.00 0.00 61.79 61.34 3k1q h SER 122 Cb 0.68 0.00 -0.11 0.00 0.14 0.00 0.00 62.40 63.11 3k1q h SER 122 CO 1.16 0.00 0.61 -0.55 -1.14 0.00 0.00 176.83 176.91 3k1q h ASN 123 N 0.00 0.76 0.00 3.07 -1.07 -1.88 0.71 115.58 117.17 3k1q h ASN 123 Ca 0.03 0.10 0.00 0.00 0.07 0.00 0.00 56.30 56.50 3k1q h ASN 123 Cb 0.20 -0.03 0.00 0.00 -2.07 0.00 0.00 38.32 36.42 3k1q h ASN 123 CO -0.00 0.25 0.00 -3.20 0.07 0.00 0.00 177.43 174.55 3k1q n ASN 124 N -4.79 0.00 -4.07 6.14 4.05 -1.01 -4.71 115.26 110.86 3k1q n ASN 124 Ca 0.24 -1.15 -0.35 0.00 0.45 0.00 0.00 54.58 53.77 3k1q n ASN 124 Cb 0.60 0.00 -0.12 0.00 1.23 0.00 0.00 39.78 41.49 3k1q n ASN 124 CO 0.00 0.00 0.00 -0.47 -3.05 0.00 0.00 177.26 173.74 3k1q s TYR 125 N -2.00 3.49 0.21 1.20 5.04 0.24 -4.68 117.35 120.85 3k1q s TYR 125 Ca 0.12 -2.70 -0.17 0.00 -2.44 0.00 0.00 57.07 51.88 3k1q s TYR 125 Cb 0.06 -3.12 0.20 0.00 0.35 0.00 0.00 41.96 39.45 3k1q s TYR 125 CO 0.10 -0.89 1.59 -1.00 -1.34 0.00 0.00 175.55 174.01 3k1q h PRO 126 N 7.42 -0.08 -0.91 4.97 0.13 -1.84 0.36 132.00 142.05 3k1q h PRO 126 Ca -0.07 0.01 0.21 0.00 -0.87 0.00 0.00 66.00 65.27 3k1q h PRO 126 Cb 0.99 0.02 -0.12 0.00 0.13 0.00 0.00 31.00 32.02 3k1q h PRO 126 CO 0.68 -0.06 0.45 1.15 -0.23 0.00 0.00 178.00 180.00 3k1q h THR 127 N -0.09 0.55 0.32 1.56 2.02 -1.94 -0.42 112.91 114.91 3k1q h THR 127 Ca 0.29 -0.17 -0.02 0.00 0.77 0.00 0.00 66.41 67.28 3k1q h THR 127 Cb 0.54 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.96 3k1q h THR 127 CO -0.72 0.09 -0.15 0.22 0.37 0.00 0.00 175.52 175.32 3k1q h TYR 128 N 0.50 -0.40 -0.73 3.16 3.20 -1.21 -2.27 116.97 119.22 3k1q h TYR 128 Ca 0.56 -0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.48 3k1q h TYR 128 Cb 1.01 0.13 -0.06 0.00 1.54 0.00 0.00 36.73 39.35 3k1q h TYR 128 CO -0.09 -0.20 0.43 0.28 -1.64 0.00 0.00 178.16 176.93 3k1q h VAL 129 N -0.50 1.00 -0.63 1.81 2.07 -1.22 -2.85 116.25 115.94 3k1q h VAL 129 Ca -0.04 -0.27 0.09 0.00 0.82 0.00 0.00 66.70 67.30 3k1q h VAL 129 Cb 0.38 0.15 -0.11 0.00 -1.52 0.00 0.00 31.29 30.18 3k1q h VAL 129 CO 0.07 0.14 -0.43 0.25 0.02 0.00 0.00 177.57 177.63 3k1q h LEU 130 N 0.79 -1.48 -6.30 2.57 5.85 -0.94 -2.91 115.31 112.89 3k1q h LEU 130 Ca 0.32 0.25 -0.63 0.00 0.84 0.00 0.00 57.88 58.66 3k1q h LEU 130 Cb 0.16 0.68 -0.40 0.00 0.37 0.00 0.00 40.66 41.48 3k1q h LEU 130 CO -0.17 -0.32 -0.41 -3.20 -0.34 0.00 0.00 178.44 174.00 3k1q n ASN 131 N -5.41 4.12 -0.16 1.25 5.15 -0.87 -4.86 115.26 114.48 3k1q n ASN 131 Ca 0.03 -3.44 -0.06 0.00 -0.60 0.00 0.00 54.58 50.51 3k1q n ASN 131 Cb 0.35 -0.75 0.03 0.00 -0.53 0.00 0.00 39.78 38.88 3k1q n ASN 131 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 3k1q h LEU 132 N 4.36 0.46 -1.00 1.20 3.38 -1.30 0.33 115.31 122.75 3k1q h LEU 132 Ca 0.20 0.00 0.40 0.00 0.09 0.00 0.00 57.88 58.57 3k1q h LEU 132 Cb 0.66 -0.09 -0.18 0.00 0.09 0.00 0.00 40.66 41.14 3k1q h LEU 132 CO 0.90 0.33 0.50 0.77 0.09 0.00 0.00 178.44 181.03 3k1q h SER 133 N 0.57 0.27 0.01 -0.43 4.64 -1.89 -0.61 113.55 116.11 3k1q h SER 133 Ca 0.19 0.25 -0.41 0.00 -0.47 0.00 0.00 61.79 61.36 3k1q h SER 133 Cb 0.02 0.28 -0.06 0.00 -0.31 0.00 0.00 62.40 62.32 3k1q h SER 133 CO -0.09 -0.40 -2.43 -1.20 -0.87 0.00 0.00 176.83 171.85 3k1q n SER 134 N -5.26 1.98 0.30 4.97 7.64 -1.03 -4.39 113.62 117.84 3k1q n SER 134 Ca 0.36 0.06 0.18 0.00 1.01 0.00 0.00 58.87 60.48 3k1q n SER 134 Cb 1.21 -0.59 1.00 0.00 -1.01 0.00 0.00 64.21 64.82 3k1q n SER 134 CO 0.00 0.00 0.00 0.24 -3.01 0.00 0.00 175.04 172.27 3k1q h MET 135 N -0.35 0.00 -0.46 1.43 2.07 -0.84 -3.38 114.93 113.40 3k1q h MET 135 Ca -0.60 0.00 0.13 0.00 -2.07 0.00 0.00 59.70 57.16 3k1q h MET 135 Cb 1.80 0.00 -0.09 0.00 -1.87 0.00 0.00 31.60 31.44 3k1q h MET 135 CO -0.19 0.00 0.02 1.87 1.07 0.00 0.00 176.91 179.67 3k1q n TRP 136 N -3.50 0.30 -0.04 -0.22 -0.00 -0.25 -1.15 117.44 112.59 3k1q n TRP 136 Ca -0.02 0.56 0.09 0.00 -0.00 0.00 0.00 57.50 58.13 3k1q n TRP 136 Cb 0.14 -0.85 0.49 0.00 -0.00 0.00 0.00 31.31 31.09 3k1q n TRP 136 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 177.69 176.69 3k1q h PRO 137 N 0.00 0.41 -0.66 5.87 0.13 -1.81 -1.70 132.00 134.23 3k1q h PRO 137 Ca 0.28 -0.02 0.06 0.00 -0.87 0.00 0.00 66.00 65.44 3k1q h PRO 137 Cb 0.59 -0.09 -0.05 0.00 0.13 0.00 0.00 31.00 31.57 3k1q h PRO 137 CO -0.43 0.27 0.37 0.82 -0.23 0.00 0.00 178.00 178.80 3k1q h ILE 138 N 0.42 0.98 -0.96 -3.56 5.03 -1.47 -2.51 117.51 115.45 3k1q h ILE 138 Ca 0.22 -0.24 0.16 0.00 -0.12 0.00 0.00 64.86 64.88 3k1q h ILE 138 Cb 0.34 0.23 -0.10 0.00 -3.03 0.00 0.00 36.82 34.26 3k1q h ILE 138 CO -0.06 0.13 0.56 0.78 -0.68 0.00 0.00 178.15 178.88 3k1q h ASN 139 N 0.69 0.75 -0.13 1.72 4.21 -1.44 -0.43 115.58 120.95 3k1q h ASN 139 Ca 0.29 0.08 0.05 0.00 1.21 0.00 0.00 56.30 57.93 3k1q h ASN 139 Cb 0.17 -0.05 -0.06 0.00 -1.12 0.00 0.00 38.32 37.25 3k1q h ASN 139 CO -0.17 0.32 -0.24 -0.61 -1.29 0.00 0.00 177.43 175.44 3k1q h GLN 140 N 0.79 -0.29 -0.36 0.81 4.15 -1.48 -2.20 115.11 116.52 3k1q h GLN 140 Ca 0.52 0.02 0.06 0.00 0.77 0.00 0.00 58.65 60.02 3k1q h GLN 140 Cb 0.71 0.07 -0.05 0.00 0.21 0.00 0.00 27.48 28.41 3k1q h GLN 140 CO -0.34 -0.20 0.04 -0.44 -1.93 0.00 0.00 178.83 175.96 3k1q h ASP 141 N -0.30 -0.07 -0.36 -0.69 3.32 -1.30 -3.05 116.42 113.96 3k1q h ASP 141 Ca 0.10 0.07 0.03 0.00 0.02 0.00 0.00 57.03 57.26 3k1q h ASP 141 Cb 0.46 0.12 -0.03 0.00 0.22 0.00 0.00 39.33 40.09 3k1q h ASP 141 CO -0.31 0.00 0.16 -0.37 -1.72 0.00 0.00 179.24 177.00 3k1q h VAL 142 N 0.14 0.95 0.55 -1.35 -1.51 -0.50 0.67 116.25 115.21 3k1q h VAL 142 Ca 0.17 -0.12 -0.03 0.00 -1.23 0.00 0.00 66.70 65.50 3k1q h VAL 142 Cb 0.22 0.59 0.01 0.00 -2.13 0.00 0.00 31.29 29.98 3k1q h VAL 142 CO -0.26 0.06 -0.27 0.45 -1.23 0.00 0.00 177.57 176.32 3k1q h HIS 143 N 0.34 -0.69 -0.89 5.19 3.86 -1.49 -1.07 115.15 120.40 3k1q h HIS 143 Ca 0.16 -0.02 0.24 0.00 -1.16 0.00 0.00 60.37 59.59 3k1q h HIS 143 Cb 0.09 0.23 -0.04 0.00 1.06 0.00 0.00 27.41 28.74 3k1q h HIS 143 CO -0.11 -0.41 0.63 0.97 0.86 0.00 0.00 177.93 179.86 3k1q h ILE 144 N -0.79 0.58 -0.36 2.45 6.09 -1.40 -0.57 117.51 123.52 3k1q h ILE 144 Ca -0.08 -0.04 -0.02 0.00 -1.37 0.00 0.00 64.86 63.36 3k1q h ILE 144 Cb 0.59 0.47 -0.02 0.00 0.47 0.00 0.00 36.82 38.33 3k1q h ILE 144 CO 0.12 0.02 0.16 0.24 -3.07 0.00 0.00 178.15 175.62 3k1q h MET 145 N 0.11 0.53 -0.49 2.19 2.86 -0.45 -0.65 114.93 119.03 3k1q h MET 145 Ca 0.44 -0.09 0.09 0.00 -2.06 0.00 0.00 59.70 58.07 3k1q h MET 145 Cb 1.56 -0.09 -0.07 0.00 0.06 0.00 0.00 31.60 33.06 3k1q h MET 145 CO -0.06 0.50 0.07 1.15 1.06 0.00 0.00 176.91 179.63 3k1q h THR 146 N 0.44 0.70 0.00 2.22 2.02 0.19 -1.10 112.91 117.37 3k1q h THR 146 Ca 0.12 -0.07 0.00 0.00 0.77 0.00 0.00 66.41 67.23 3k1q h THR 146 Cb 0.16 0.48 0.00 0.00 -1.74 0.00 0.00 68.15 67.05 3k1q h THR 146 CO -0.01 0.04 0.00 0.23 0.37 0.00 0.00 175.52 176.14 3k1q n MET 147 N -5.14 0.63 -0.00 6.66 2.00 -0.26 -0.58 117.12 120.42 3k1q n MET 147 Ca 0.05 0.00 0.04 0.00 0.00 0.00 0.00 57.70 57.79 3k1q n MET 147 Cb 0.25 -1.33 -0.05 0.00 0.00 0.00 0.00 33.22 32.09 3k1q n MET 147 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 175.97 176.88 3k1q n TRP 148 N -0.83 0.00 -0.01 2.03 8.01 -0.45 -0.91 117.44 125.28 3k1q n TRP 148 Ca 0.10 0.00 0.04 0.00 -1.31 0.00 0.00 57.50 56.33 3k1q n TRP 148 Cb 0.05 -0.07 -0.07 0.00 -2.01 0.00 0.00 31.31 29.20 3k1q n TRP 148 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 3k1q n ALA 149 N -1.41 2.28 0.32 6.99 0.00 0.24 -4.38 120.51 124.56 3k1q n ALA 149 Ca 0.00 -0.27 0.20 0.00 0.00 0.00 0.00 53.44 53.37 3k1q n ALA 149 Cb 0.15 -0.28 1.07 0.00 0.00 0.00 0.00 19.45 20.40 3k1q n ALA 149 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3k1q h LEU 150 N 0.00 0.00 -8.92 0.00 3.38 -1.13 -3.44 115.31 105.20 3k1q h LEU 150 Ca -0.03 0.00 -0.41 0.00 0.09 0.00 0.00 57.88 57.53 3k1q h LEU 150 Cb 0.58 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.19 3k1q h LEU 150 CO 0.00 0.00 -0.54 -0.55 0.09 0.00 0.00 178.44 177.44 3k1q s SER 151 N -5.19 1.42 0.00 -0.43 0.15 -1.26 -4.79 113.70 103.59 3k1q s SER 151 Ca -0.05 -1.60 0.16 0.00 0.70 0.00 0.00 55.95 55.17 3k1q s SER 151 Cb 0.13 0.45 0.47 0.00 -1.71 0.00 0.00 66.02 65.35 3k1q s SER 151 CO 0.41 -0.94 1.39 -0.90 1.20 0.00 0.00 173.24 174.40 3k1q n ASP 152 N -1.04 2.63 -2.76 5.45 3.85 -1.26 -4.95 116.55 118.48 3k1q n ASP 152 Ca 0.03 -1.97 -0.15 0.00 -0.71 0.00 0.00 54.79 51.99 3k1q n ASP 152 Cb 0.64 -0.31 -0.05 0.00 -1.35 0.00 0.00 41.12 40.05 3k1q n ASP 152 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3k1q n GLN 153 N 0.94 0.38 -1.63 0.11 1.13 -1.26 -5.01 117.38 112.04 3k1q n GLN 153 Ca 0.17 -2.59 -0.42 0.00 -1.94 0.00 0.00 57.00 52.21 3k1q n GLN 153 Cb 0.42 2.20 0.00 0.00 0.11 0.00 0.00 30.24 32.98 3k1q n GLN 153 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3k1q n GLY 154 N -0.50 0.01 0.00 1.08 0.00 -0.65 -4.74 105.19 100.39 3k1q n GLY 154 Ca 0.05 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.28 3k1q n GLY 154 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3k1q n PRO 155 N 0.31 0.00 -2.98 1.61 -0.02 -1.26 -0.76 135.00 131.91 3k1q n PRO 155 Ca 0.08 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 61.14 3k1q n PRO 155 Cb 0.37 0.00 -0.05 0.00 -0.02 0.00 0.00 33.50 33.80 3k1q n PRO 155 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3k1q s ILE 156 N 0.00 4.69 -0.03 4.25 1.09 -0.09 -3.54 121.20 127.58 3k1q s ILE 156 Ca 0.00 0.55 0.07 0.00 -1.10 0.00 0.00 60.65 60.17 3k1q s ILE 156 Cb 0.00 -4.27 -0.02 0.00 -1.06 0.00 0.00 42.46 37.11 3k1q s ILE 156 CO 0.00 -0.61 -0.25 -0.47 -0.10 0.00 0.00 174.94 173.51 3k1q s TYR 157 N 3.19 2.38 -0.08 3.97 6.14 0.20 -4.86 117.35 128.29 3k1q s TYR 157 Ca 0.30 -0.44 -0.04 0.00 0.64 0.00 0.00 57.07 57.52 3k1q s TYR 157 Cb -0.13 -1.52 -0.04 0.00 0.42 0.00 0.00 41.96 40.69 3k1q s TYR 157 CO 0.20 -0.03 0.11 -1.58 0.64 0.00 0.00 175.55 174.89 3k1q s HIS 158 N -0.58 3.47 0.14 4.97 5.65 -1.26 0.10 115.29 127.77 3k1q s HIS 158 Ca 0.09 0.39 0.08 0.00 0.25 0.00 0.00 55.06 55.87 3k1q s HIS 158 Cb -0.10 -1.86 -0.04 0.00 -1.18 0.00 0.00 32.58 29.39 3k1q s HIS 158 CO -0.00 0.65 -0.19 -1.17 -0.65 0.00 0.00 174.74 173.37 3k1q s LEU 159 N -1.25 2.38 -0.18 8.88 2.96 0.25 -4.97 118.68 126.74 3k1q s LEU 159 Ca 0.18 -0.79 -0.07 0.00 -0.22 0.00 0.00 54.13 53.23 3k1q s LEU 159 Cb -0.12 -0.83 0.08 0.00 0.50 0.00 0.00 46.19 45.81 3k1q s LEU 159 CO 0.07 -0.00 0.40 -0.70 -1.32 0.00 0.00 176.35 174.80 3k1q s GLU 160 N -2.42 0.32 -0.17 1.98 2.56 -1.26 -0.96 118.70 118.76 3k1q s GLU 160 Ca 0.11 0.93 0.01 0.00 0.00 0.00 0.00 54.97 56.02 3k1q s GLU 160 Cb -0.07 0.18 0.03 0.00 2.00 0.00 0.00 34.13 36.27 3k1q s GLU 160 CO 0.05 -0.22 -0.13 0.08 -0.56 0.00 0.00 175.26 174.48 3k1q s VAL 161 N 2.21 1.62 1.30 3.70 1.01 -0.20 -4.60 120.40 125.45 3k1q s VAL 161 Ca -0.04 -0.82 -0.21 0.00 0.00 0.00 0.00 61.98 60.91 3k1q s VAL 161 Cb -0.11 -1.60 0.32 0.00 0.00 0.00 0.00 36.38 34.99 3k1q s VAL 161 CO -0.12 0.33 1.04 -2.84 0.00 0.00 0.00 175.10 173.50 3k1q s PRO 162 N 1.44 -2.01 0.00 2.72 0.02 -1.26 -0.84 135.00 135.06 3k1q s PRO 162 Ca 0.02 -0.01 0.00 0.00 0.02 0.00 0.00 61.00 61.03 3k1q s PRO 162 Cb -0.14 -1.50 0.00 0.00 0.02 0.00 0.00 34.50 32.88 3k1q s PRO 162 CO -0.10 -4.25 0.00 1.33 -0.33 0.00 0.00 177.00 173.66 3k1q n VAL 163 N -5.15 0.00 0.21 3.83 0.24 -1.26 -4.64 118.33 111.56 3k1q n VAL 163 Ca 0.13 0.00 0.06 0.00 -2.04 0.00 0.00 64.34 62.49 3k1q n VAL 163 Cb 0.60 0.00 0.09 0.00 -1.47 0.00 0.00 33.84 33.05 3k1q n VAL 163 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 3k1q n ASP 164 N 0.00 0.00 -3.28 -1.34 9.92 -1.26 -4.16 116.55 116.42 3k1q n ASP 164 Ca 0.00 0.54 -0.14 0.00 -0.53 0.00 0.00 54.79 54.67 3k1q n ASP 164 Cb 0.00 -0.05 -0.04 0.00 -0.64 0.00 0.00 41.12 40.39 3k1q n ASP 164 CO 0.00 0.00 0.00 -2.65 0.13 0.00 0.00 177.20 174.68 3k1q n PRO 165 N -2.61 0.00 -3.65 -0.24 -0.02 -1.26 -4.57 135.00 122.64 3k1q n PRO 165 Ca 0.05 -0.56 -0.27 0.00 -2.02 0.00 0.00 63.50 60.70 3k1q n PRO 165 Cb 1.09 -1.96 -0.11 0.00 -0.02 0.00 0.00 33.50 32.50 3k1q n PRO 165 CO 0.00 0.00 0.00 -0.12 1.98 0.00 0.00 175.50 177.36 3k1q n MET 166 N 5.51 1.18 -1.70 -0.52 1.56 -1.26 -4.96 117.12 116.94 3k1q n MET 166 Ca 0.14 -3.94 -0.39 0.00 -0.27 0.00 0.00 57.70 53.25 3k1q n MET 166 Cb 0.15 -2.00 0.04 0.00 2.15 0.00 0.00 33.22 33.55 3k1q n MET 166 CO 0.00 0.00 0.00 -2.30 -0.73 0.00 0.00 175.97 172.94 3k1q n PRO 167 N 2.22 1.48 0.00 2.12 -0.02 -1.26 -4.76 135.00 134.78 3k1q n PRO 167 Ca 0.24 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 62.27 3k1q n PRO 167 Cb 0.41 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.48 3k1q n PRO 167 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3k1q n ALA 168 N -1.09 0.00 -0.07 3.55 0.00 -1.26 -1.95 120.51 119.69 3k1q n ALA 168 Ca 0.11 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.41 3k1q n ALA 168 Cb 0.44 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.80 3k1q n ALA 168 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3k1q h ALA 169 N 0.00 -0.76 -0.21 0.00 0.00 -1.99 -1.55 119.26 114.74 3k1q h ALA 169 Ca 0.00 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.92 3k1q h ALA 169 Cb 0.00 1.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 3k1q h ALA 169 CO 0.00 -1.03 0.05 1.79 0.00 0.00 0.00 179.25 180.05 3k1q h THR 170 N -0.48 0.92 -0.39 0.00 1.35 -1.75 -1.19 112.91 111.37 3k1q h THR 170 Ca 0.07 -0.05 -0.01 0.00 -0.55 0.00 0.00 66.41 65.87 3k1q h THR 170 Cb 0.64 0.77 -0.02 0.00 -1.73 0.00 0.00 68.15 67.81 3k1q h THR 170 CO -0.51 0.02 0.18 0.71 -0.25 0.00 0.00 175.52 175.67 3k1q h THR 171 N 0.14 1.14 0.34 6.82 1.35 -1.47 0.21 112.91 121.44 3k1q h THR 171 Ca 0.09 -0.40 -0.02 0.00 -0.55 0.00 0.00 66.41 65.53 3k1q h THR 171 Cb 0.08 0.65 0.00 0.00 -1.73 0.00 0.00 68.15 67.15 3k1q h THR 171 CO -0.12 0.16 -0.16 0.00 -0.25 0.00 0.00 175.52 175.15 3k1q h ALA 172 N 1.66 -0.46 0.00 6.62 0.00 -1.08 -2.70 119.26 123.30 3k1q h ALA 172 Ca 0.14 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3k1q h ALA 172 Cb 0.07 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3k1q h ALA 172 CO -0.02 -0.63 0.00 0.00 0.00 0.00 0.00 179.25 178.60 3k1q h ALA 173 N -0.15 1.00 0.00 0.00 0.00 -0.31 -1.43 119.26 118.37 3k1q h ALA 173 Ca -0.05 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.75 3k1q h ALA 173 Cb 0.49 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 3k1q h ALA 173 CO 0.08 0.00 -0.55 1.25 0.00 0.00 0.00 179.25 180.03 3k1q h LEU 174 N 0.00 0.00 -1.75 0.00 6.46 -0.30 -2.10 115.31 117.62 3k1q h LEU 174 Ca 0.00 0.00 0.14 0.00 -0.12 0.00 0.00 57.88 57.90 3k1q h LEU 174 Cb 0.46 0.00 -0.04 0.00 -0.73 0.00 0.00 40.66 40.35 3k1q h LEU 174 CO 0.00 0.55 0.43 0.24 -0.62 0.00 0.00 178.44 179.04 3k1q h MET 175 N 0.00 0.25 -0.06 1.25 2.86 -1.06 -0.94 114.93 117.23 3k1q h MET 175 Ca -0.01 -0.02 0.02 0.00 -2.06 0.00 0.00 59.70 57.64 3k1q h MET 175 Cb 1.01 -0.06 -0.00 0.00 0.06 0.00 0.00 31.60 32.61 3k1q h MET 175 CO 0.07 0.17 0.05 0.00 1.06 0.00 0.00 176.91 178.25 3k1q h ALA 176 N 1.69 1.93 0.00 6.32 0.00 -1.46 -2.36 119.26 125.39 3k1q h ALA 176 Ca 0.30 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.21 3k1q h ALA 176 Cb 0.83 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.63 3k1q h ALA 176 CO -0.07 -0.08 0.00 1.88 0.00 0.00 0.00 179.25 180.99 3k1q h TYR 177 N 0.00 0.00 -0.45 0.00 0.99 -1.31 -3.46 116.97 112.74 3k1q h TYR 177 Ca 0.03 0.00 -0.75 0.00 2.00 0.00 0.00 58.73 60.01 3k1q h TYR 177 Cb 0.12 0.00 -0.03 0.00 1.00 0.00 0.00 36.73 37.82 3k1q h TYR 177 CO 0.00 0.00 1.27 0.25 -0.00 0.00 0.00 178.16 179.68 3k1q n THR 178 N -3.01 0.07 0.00 -2.88 -2.24 -0.89 -1.66 114.28 103.67 3k1q n THR 178 Ca 0.02 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 3k1q n THR 178 Cb 0.38 -0.84 0.00 0.00 -2.10 0.00 0.00 70.33 67.78 3k1q n THR 178 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3k1q n GLY 179 N 6.78 2.79 3.69 3.38 0.00 -0.57 -5.02 105.19 116.23 3k1q n GLY 179 Ca 0.48 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.07 3k1q n GLY 179 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3k1q s VAL 180 N -2.66 4.60 0.38 1.61 1.01 -0.66 -4.66 120.40 120.03 3k1q s VAL 180 Ca 0.00 1.89 -0.19 0.00 0.00 0.00 0.00 61.98 63.68 3k1q s VAL 180 Cb 0.00 -4.22 -0.10 0.00 0.00 0.00 0.00 36.38 32.06 3k1q s VAL 180 CO 0.00 -0.01 0.86 -2.16 0.00 0.00 0.00 175.10 173.79 3k1q s PRO 181 N 2.17 4.15 0.34 2.72 0.04 -1.26 -2.42 135.00 140.74 3k1q s PRO 181 Ca 0.51 0.94 0.07 0.00 0.04 0.00 0.00 61.00 62.56 3k1q s PRO 181 Cb -0.20 -2.30 0.76 0.00 0.04 0.00 0.00 34.50 32.79 3k1q s PRO 181 CO 0.18 0.06 1.88 -0.84 0.04 0.00 0.00 177.00 178.32 3k1q h ILE 182 N 1.96 0.89 -0.32 0.56 -0.00 -1.70 -2.43 117.51 116.46 3k1q h ILE 182 Ca -0.48 -0.26 0.04 0.00 -0.00 0.00 0.00 64.86 64.15 3k1q h ILE 182 Cb 1.18 0.06 -0.04 0.00 -0.00 0.00 0.00 36.82 38.02 3k1q h ILE 182 CO 0.63 0.14 -0.16 0.00 -0.00 0.00 0.00 178.15 178.75 3k1q n ALA 183 N -2.42 -0.14 0.02 0.16 0.00 -1.26 -0.20 120.51 116.67 3k1q n ALA 183 Ca 0.16 0.29 -0.19 0.00 0.00 0.00 0.00 53.44 53.71 3k1q n ALA 183 Cb 0.40 -0.09 -0.14 0.00 0.00 0.00 0.00 19.45 19.62 3k1q n ALA 183 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3k1q h HIS 184 N 0.00 0.41 -0.93 0.00 -0.00 -1.86 -3.33 115.15 109.44 3k1q h HIS 184 Ca 0.08 -0.30 0.17 0.00 -0.00 0.00 0.00 60.37 60.31 3k1q h HIS 184 Cb 0.16 -0.02 -0.08 0.00 -0.00 0.00 0.00 27.41 27.47 3k1q h HIS 184 CO -0.31 1.26 0.59 1.25 -0.00 0.00 0.00 177.93 180.72 3k1q h LEU 185 N -0.52 0.65 -0.73 0.26 5.85 -0.85 -2.22 115.31 117.75 3k1q h LEU 185 Ca -0.12 0.05 0.16 0.00 0.84 0.00 0.00 57.88 58.81 3k1q h LEU 185 Cb 1.50 -0.07 -0.13 0.00 0.37 0.00 0.00 40.66 42.33 3k1q h LEU 185 CO 0.11 0.29 -0.08 0.00 -0.34 0.00 0.00 178.44 178.42 3k1q h ALA 186 N 1.61 0.64 0.78 1.25 0.00 -0.69 -0.35 119.26 122.50 3k1q h ALA 186 Ca 0.48 0.26 -0.04 0.00 0.00 0.00 0.00 54.91 55.61 3k1q h ALA 186 Cb 0.85 0.47 0.01 0.00 0.00 0.00 0.00 17.79 19.12 3k1q h ALA 186 CO -0.24 -0.42 -0.38 1.96 0.00 0.00 0.00 179.25 180.17 3k1q h GLN 187 N 0.05 -1.02 -0.60 0.00 4.20 -1.59 0.16 115.11 116.31 3k1q h GLN 187 Ca 0.38 0.07 0.10 0.00 0.06 0.00 0.00 58.65 59.26 3k1q h GLN 187 Cb 0.63 0.23 -0.08 0.00 0.30 0.00 0.00 27.48 28.56 3k1q h GLN 187 CO -0.70 -0.68 0.17 1.79 -0.67 0.00 0.00 178.83 178.75 3k1q h THR 188 N -1.06 0.70 -0.40 -0.54 1.35 -1.63 -1.59 112.91 109.74 3k1q h THR 188 Ca -0.11 -0.11 -0.05 0.00 -0.55 0.00 0.00 66.41 65.60 3k1q h THR 188 Cb 0.81 0.35 -0.02 0.00 -1.73 0.00 0.00 68.15 67.57 3k1q h THR 188 CO 0.17 0.06 0.06 0.00 -0.25 0.00 0.00 175.52 175.56 3k1q h ALA 189 N 1.45 0.54 0.25 6.62 0.00 -0.34 -1.32 119.26 126.45 3k1q h ALA 189 Ca 0.31 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 55.01 3k1q h ALA 189 Cb 0.43 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 3k1q h ALA 189 CO -0.36 0.25 -0.43 -0.92 0.00 0.00 0.00 179.25 177.80 3k1q h TYR 190 N 0.52 -1.19 -0.51 0.00 3.20 -0.49 -2.87 116.97 115.64 3k1q h TYR 190 Ca 0.12 0.02 0.15 0.00 3.14 0.00 0.00 58.73 62.16 3k1q h TYR 190 Cb 0.37 0.49 -0.02 0.00 1.54 0.00 0.00 36.73 39.11 3k1q h TYR 190 CO 0.03 -0.55 0.44 -0.09 -1.64 0.00 0.00 178.16 176.35 3k1q h ARG 191 N -0.75 0.00 -0.96 1.82 9.65 -0.32 -2.15 114.38 121.68 3k1q h ARG 191 Ca -0.01 0.00 0.30 0.00 -1.10 0.00 0.00 59.98 59.18 3k1q h ARG 191 Cb 0.72 0.00 -0.16 0.00 -1.39 0.00 0.00 29.97 29.14 3k1q h ARG 191 CO -0.17 0.00 0.34 0.35 2.80 0.00 0.00 179.97 183.29 3k1q h PHE 192 N 0.00 0.51 -0.34 2.20 3.57 -1.04 0.11 116.94 121.94 3k1q h PHE 192 Ca 0.24 0.05 -0.02 0.00 3.53 0.00 0.00 57.97 61.77 3k1q h PHE 192 Cb 1.12 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.78 3k1q h PHE 192 CO 0.00 -0.31 0.11 0.00 -2.23 0.00 0.00 178.31 175.88 3k1q h ALA 193 N 1.89 1.55 -0.03 2.41 0.00 -1.51 -2.58 119.26 120.99 3k1q h ALA 193 Ca 0.67 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 55.37 3k1q h ALA 193 Cb 1.51 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.14 3k1q h ALA 193 CO -0.72 0.34 -0.39 0.78 0.00 0.00 0.00 179.25 179.26 3k1q h GLY 194 N 0.68 0.07 1.01 0.00 0.00 -0.90 -3.39 103.07 100.53 3k1q h GLY 194 Ca 0.12 -0.06 0.01 0.00 0.00 0.00 0.00 47.33 47.40 3k1q h GLY 194 CO -0.01 0.05 0.62 1.46 0.00 0.00 0.00 176.54 178.66 3k1q h GLN 195 N 0.05 1.22 0.00 4.80 4.20 -1.26 -3.42 115.11 120.71 3k1q h GLN 195 Ca 0.00 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.64 3k1q h GLN 195 Cb 0.72 -0.28 0.00 0.00 0.30 0.00 0.00 27.48 28.22 3k1q h GLN 195 CO 0.05 0.81 0.00 1.47 -0.67 0.00 0.00 178.83 180.49 3k1q n LEU 196 N -4.44 0.00 -4.60 1.46 -0.00 -1.26 -5.09 117.00 103.07 3k1q n LEU 196 Ca 0.11 0.00 -0.43 0.00 -0.00 0.00 0.00 56.01 55.69 3k1q n LEU 196 Cb 0.01 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.41 3k1q n LEU 196 CO 0.37 0.00 1.56 -2.84 -0.00 0.00 0.00 177.39 176.48 3k1q s PRO 197 N -2.00 3.36 0.00 1.47 0.02 -1.26 -4.95 135.00 131.64 3k1q s PRO 197 Ca 0.00 1.56 0.00 0.00 0.02 0.00 0.00 61.00 62.58 3k1q s PRO 197 Cb 0.00 -4.21 0.00 0.00 0.02 0.00 0.00 34.50 30.31 3k1q s PRO 197 CO 0.00 -1.82 0.00 1.04 -0.33 0.00 0.00 177.00 175.89 3k1q n GLN 198 N 8.40 1.37 -3.63 5.54 6.02 -1.26 -5.05 117.38 128.76 3k1q n GLN 198 Ca 0.23 0.00 -0.37 0.00 -0.01 0.00 0.00 57.00 56.85 3k1q n GLN 198 Cb 0.46 0.00 -0.10 0.00 1.02 0.00 0.00 30.24 31.62 3k1q n GLN 198 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 3k1q s SER 199 N -1.00 6.09 0.35 1.08 0.15 -1.26 -4.93 113.70 114.18 3k1q s SER 199 Ca 0.00 0.08 0.16 0.00 0.70 0.00 0.00 55.95 56.89 3k1q s SER 199 Cb 0.00 -2.11 1.19 0.00 -1.71 0.00 0.00 66.02 63.39 3k1q s SER 199 CO 0.00 0.02 1.58 -0.65 1.20 0.00 0.00 173.24 175.39 3k1q h PRO 200 N 7.79 0.01 -0.77 5.44 0.11 -1.99 -1.72 132.00 140.87 3k1q h PRO 200 Ca -0.37 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 3k1q h PRO 200 Cb 1.18 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3k1q h PRO 200 CO 0.62 0.01 0.00 -0.40 -0.21 0.00 0.00 178.00 178.02 3k1q n ASP 201 N -5.31 1.70 -4.96 -2.05 5.75 -1.26 -4.76 116.55 105.65 3k1q n ASP 201 Ca 0.34 -2.15 -0.23 0.00 -0.01 0.00 0.00 54.79 52.75 3k1q n ASP 201 Cb 1.15 -0.45 -0.02 0.00 -1.03 0.00 0.00 41.12 40.76 3k1q n ASP 201 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 3k1q s SER 202 N -0.31 6.32 0.34 -1.12 1.04 -0.65 -5.00 113.70 114.32 3k1q s SER 202 Ca 0.10 0.19 0.13 0.00 0.48 0.00 0.00 55.95 56.86 3k1q s SER 202 Cb 0.07 -1.91 1.06 0.00 0.10 0.00 0.00 66.02 65.34 3k1q s SER 202 CO 0.04 -0.10 1.66 0.71 0.98 0.00 0.00 173.24 176.53 3k1q h THR 203 N 1.16 0.30 -0.17 2.02 1.35 -1.90 -2.95 112.91 112.72 3k1q h THR 203 Ca -0.51 -0.11 0.03 0.00 -0.55 0.00 0.00 66.41 65.27 3k1q h THR 203 Cb 1.22 -0.04 -0.05 0.00 -1.73 0.00 0.00 68.15 67.55 3k1q h THR 203 CO 0.62 0.06 -0.36 0.24 -0.25 0.00 0.00 175.52 175.84 3k1q h MET 204 N 0.32 -0.31 -0.54 4.72 2.86 -1.94 -1.15 114.93 118.89 3k1q h MET 204 Ca 0.72 0.02 0.10 0.00 -2.06 0.00 0.00 59.70 58.48 3k1q h MET 204 Cb 1.62 0.07 -0.08 0.00 0.06 0.00 0.00 31.60 33.28 3k1q h MET 204 CO -0.61 -0.21 0.11 0.28 1.06 0.00 0.00 176.91 177.54 3k1q h VAL 205 N -0.32 0.68 -0.15 -2.22 2.07 -1.82 -2.04 116.25 112.45 3k1q h VAL 205 Ca 0.03 -0.08 0.05 0.00 0.82 0.00 0.00 66.70 67.52 3k1q h VAL 205 Cb 0.41 0.42 -0.07 0.00 -1.52 0.00 0.00 31.29 30.54 3k1q h VAL 205 CO -0.33 0.04 -0.37 0.28 0.02 0.00 0.00 177.57 177.22 3k1q h SER 206 N 0.24 -1.15 -0.40 0.57 0.02 -1.51 -2.28 113.55 109.04 3k1q h SER 206 Ca 0.28 0.16 0.07 0.00 -0.84 0.00 0.00 61.79 61.46 3k1q h SER 206 Cb 0.39 0.48 -0.07 0.00 0.14 0.00 0.00 62.40 63.34 3k1q h SER 206 CO -0.36 -0.39 0.00 0.71 -1.14 0.00 0.00 176.83 175.65 3k1q h THR 207 N -0.43 0.70 -0.42 -2.27 1.35 -0.59 -1.98 112.91 109.27 3k1q h THR 207 Ca 0.09 -0.04 -0.04 0.00 -0.55 0.00 0.00 66.41 65.87 3k1q h THR 207 Cb 0.58 0.58 -0.02 0.00 -1.73 0.00 0.00 68.15 67.57 3k1q h THR 207 CO -0.39 0.02 0.10 0.40 -0.25 0.00 0.00 175.52 175.40 3k1q h ILE 208 N 0.11 1.23 -0.72 6.82 2.04 -1.01 -0.26 117.51 125.73 3k1q h ILE 208 Ca 0.20 -0.80 0.08 0.00 1.00 0.00 0.00 64.86 65.35 3k1q h ILE 208 Cb 0.28 0.96 -0.07 0.00 -0.74 0.00 0.00 36.82 37.25 3k1q h ILE 208 CO -0.33 0.28 0.38 0.03 0.00 0.00 0.00 178.15 178.50 3k1q h ARG 209 N 0.54 0.63 -0.25 2.37 3.08 -1.38 -1.77 114.38 117.60 3k1q h ARG 209 Ca 0.13 -0.04 -0.07 0.00 0.07 0.00 0.00 59.98 60.07 3k1q h ARG 209 Cb 0.32 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 3k1q h ARG 209 CO 0.00 0.42 -0.13 2.35 -1.07 0.00 0.00 179.97 181.54 3k1q h TRP 210 N 0.65 0.62 -0.98 3.04 2.91 -0.61 -2.52 115.95 119.06 3k1q h TRP 210 Ca 0.34 -0.16 0.17 0.00 1.13 0.00 0.00 58.89 60.38 3k1q h TRP 210 Cb 0.32 -0.14 -0.09 0.00 -0.51 0.00 0.00 29.16 28.74 3k1q h TRP 210 CO -0.09 0.80 0.61 -0.07 -1.03 0.00 0.00 178.44 178.66 3k1q h LEU 211 N 0.26 0.75 -0.64 0.65 3.38 -1.02 -0.20 115.31 118.49 3k1q h LEU 211 Ca 0.05 0.07 -0.12 0.00 0.09 0.00 0.00 57.88 57.98 3k1q h LEU 211 Cb 0.64 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 3k1q h LEU 211 CO 0.04 0.32 -0.20 0.28 0.09 0.00 0.00 178.44 178.97 3k1q h SER 212 N 0.76 0.87 -0.61 -0.43 0.02 -0.95 -0.66 113.55 112.54 3k1q h SER 212 Ca 0.53 -0.31 -0.07 0.00 -0.84 0.00 0.00 61.79 61.10 3k1q h SER 212 Cb 0.82 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 63.10 3k1q h SER 212 CO -0.30 1.05 0.10 0.00 -1.14 0.00 0.00 176.83 176.54 3k1q h ALA 213 N 1.02 0.81 -0.65 3.77 0.00 -0.68 -1.64 119.26 121.90 3k1q h ALA 213 Ca 0.11 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 3k1q h ALA 213 Cb 0.73 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 3k1q h ALA 213 CO 0.06 0.57 0.35 0.82 0.00 0.00 0.00 179.25 181.05 3k1q h ILE 214 N 0.92 1.21 -0.17 0.00 1.08 -0.57 -1.38 117.51 118.60 3k1q h ILE 214 Ca 0.19 -0.52 -0.02 0.00 -0.39 0.00 0.00 64.86 64.11 3k1q h ILE 214 Cb 0.42 0.37 -0.01 0.00 -3.07 0.00 0.00 36.82 34.54 3k1q h ILE 214 CO 0.01 0.23 0.02 -0.25 -0.69 0.00 0.00 178.15 177.46 3k1q h TRP 215 N 0.88 0.30 -0.02 1.37 7.01 -0.23 -1.30 115.95 123.97 3k1q h TRP 215 Ca 0.23 -0.05 0.02 0.00 2.11 0.00 0.00 58.89 61.20 3k1q h TRP 215 Cb 0.05 -0.08 -0.02 0.00 -2.10 0.00 0.00 29.16 27.00 3k1q h TRP 215 CO -0.01 0.47 -0.08 0.35 -2.79 0.00 0.00 178.44 176.38 3k1q h PHE 216 N 0.05 -0.21 -0.01 2.65 3.57 -1.38 0.40 116.94 122.02 3k1q h PHE 216 Ca 0.05 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.51 3k1q h PHE 216 Cb 0.34 0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.16 3k1q h PHE 216 CO 0.02 -0.13 -0.24 0.78 -2.23 0.00 0.00 178.31 176.52 3k1q h GLY 217 N -0.14 0.02 0.61 2.40 0.00 -1.19 -0.74 103.07 104.04 3k1q h GLY 217 Ca 0.04 -0.02 -0.02 0.00 0.00 0.00 0.00 47.33 47.33 3k1q h GLY 217 CO -0.10 0.01 -0.22 1.76 0.00 0.00 0.00 176.54 178.00 3k1q h SER 218 N 0.02 -0.52 -0.96 0.19 0.02 -0.98 -1.66 113.55 109.66 3k1q h SER 218 Ca 0.00 -0.08 0.20 0.00 -0.84 0.00 0.00 61.79 61.07 3k1q h SER 218 Cb 0.44 0.13 -0.18 0.00 0.14 0.00 0.00 62.40 62.93 3k1q h SER 218 CO 0.03 -0.12 -0.20 0.25 -1.14 0.00 0.00 176.83 175.65 3k1q h LEU 219 N -1.01 -0.83 -0.60 5.07 5.85 0.27 -0.05 115.31 124.01 3k1q h LEU 219 Ca -0.06 0.29 -0.15 0.00 0.84 0.00 0.00 57.88 58.79 3k1q h LEU 219 Cb 0.57 0.58 -0.01 0.00 0.37 0.00 0.00 40.66 42.17 3k1q h LEU 219 CO 0.10 -0.32 -0.52 0.71 -0.34 0.00 0.00 178.44 178.07 3k1q h THR 220 N 0.00 1.33 0.00 1.05 1.35 -1.20 -3.47 112.91 111.97 3k1q h THR 220 Ca 0.48 -1.76 0.00 0.00 -0.55 0.00 0.00 66.41 64.58 3k1q h THR 220 Cb 0.78 1.75 0.00 0.00 -1.73 0.00 0.00 68.15 68.95 3k1q h THR 220 CO -0.98 0.54 0.00 0.61 -0.25 0.00 0.00 175.52 175.45 3k1q n GLY 221 N 0.17 1.29 0.18 5.82 0.00 -0.03 -3.60 105.19 109.00 3k1q n GLY 221 Ca -0.03 -0.35 0.12 0.00 0.00 0.00 0.00 46.02 45.77 3k1q n GLY 221 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3k1q h ARG 222 N 0.00 0.00 -6.54 1.61 9.65 -1.73 -3.38 114.38 113.99 3k1q h ARG 222 Ca 0.00 0.00 -0.68 0.00 -1.10 0.00 0.00 59.98 58.20 3k1q h ARG 222 Cb 0.00 0.00 -0.21 0.00 -1.39 0.00 0.00 29.97 28.37 3k1q h ARG 222 CO 0.00 0.00 -0.79 -0.51 2.80 0.00 0.00 179.97 181.47 3k1q s LEU 223 N -4.67 2.72 -0.09 3.80 1.02 -0.69 -4.81 118.68 115.97 3k1q s LEU 223 Ca -0.02 -0.39 -0.31 0.00 0.02 0.00 0.00 54.13 53.44 3k1q s LEU 223 Cb 0.07 -1.58 0.10 0.00 0.02 0.00 0.00 46.19 44.80 3k1q s LEU 223 CO 0.24 0.25 1.36 0.54 0.02 0.00 0.00 176.35 178.77 3k1q s ASN 224 N -1.51 0.00 0.33 2.29 2.20 -0.36 -3.82 114.94 114.08 3k1q s ASN 224 Ca 0.16 -0.03 0.10 0.00 -0.94 0.00 0.00 52.86 52.14 3k1q s ASN 224 Cb -0.11 0.02 1.00 0.00 -2.00 0.00 0.00 41.25 40.16 3k1q s ASN 224 CO 0.06 -0.05 1.60 0.08 -2.94 0.00 0.00 177.10 175.86 3k1q h ARG 225 N 2.00 0.10 0.00 3.55 0.11 -1.94 -0.24 114.38 117.95 3k1q h ARG 225 Ca -0.20 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 59.88 3k1q h ARG 225 Cb 1.17 -0.02 0.00 0.00 1.11 0.00 0.00 29.97 32.23 3k1q h ARG 225 CO 0.29 0.06 -0.46 0.77 0.10 0.00 0.00 179.97 180.73 3k1q h SER 226 N 0.10 0.00 -2.32 0.08 0.02 -1.93 -3.42 113.55 106.08 3k1q h SER 226 Ca 0.69 -0.11 -0.55 0.00 -0.84 0.00 0.00 61.79 60.99 3k1q h SER 226 Cb 1.61 0.00 -0.37 0.00 0.14 0.00 0.00 62.40 63.79 3k1q h SER 226 CO -0.77 0.05 -0.91 -0.13 -1.14 0.00 0.00 176.83 173.94 3k1q s ARG 227 N -3.19 0.81 0.02 3.45 0.52 -0.11 -4.75 118.95 115.70 3k1q s ARG 227 Ca 0.06 -1.80 0.02 0.00 -0.52 0.00 0.00 55.73 53.49 3k1q s ARG 227 Cb 0.11 -1.27 -0.04 0.00 0.52 0.00 0.00 34.95 34.28 3k1q s ARG 227 CO 0.70 -1.33 -0.00 0.95 0.02 0.00 0.00 175.30 175.63 3k1q s THR 228 N 0.42 4.08 -1.24 0.02 -4.23 -0.22 -1.22 115.64 113.25 3k1q s THR 228 Ca 0.28 -0.69 -0.11 0.00 -1.18 0.00 0.00 61.69 59.99 3k1q s THR 228 Cb -0.04 -2.84 0.18 0.00 1.34 0.00 0.00 72.50 71.14 3k1q s THR 228 CO -0.13 0.33 1.68 0.00 -0.54 0.00 0.00 174.62 175.96 3k1q n ASN 230 N 4.35 -5.46 0.00 0.00 4.13 -1.26 -1.60 115.26 115.41 3k1q n ASN 230 Ca 0.38 -0.47 0.00 0.00 1.68 0.00 0.00 54.58 56.17 3k1q n ASN 230 Cb 0.38 -3.94 0.00 0.00 -1.54 0.00 0.00 39.78 34.68 3k1q n ASN 230 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3k1q n GLY 231 N -1.33 0.95 3.66 7.41 0.00 -1.24 -4.91 105.19 109.73 3k1q n GLY 231 Ca -0.05 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.50 3k1q n GLY 231 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3k1q n PHE 232 N 0.00 2.17 0.00 1.61 3.01 -0.63 -0.47 117.46 123.14 3k1q n PHE 232 Ca 0.00 0.30 0.00 0.00 1.01 0.00 0.00 57.45 58.76 3k1q n PHE 232 Cb 0.00 -2.52 0.00 0.00 -0.01 0.00 0.00 39.48 36.95 3k1q n PHE 232 CO 0.00 0.00 0.00 2.48 1.01 0.00 0.00 176.76 180.25 3k1q n TYR 233 N 3.60 0.00 -2.91 1.38 0.18 -1.12 -1.05 117.16 117.24 3k1q n TYR 233 Ca 0.18 0.00 -0.40 0.00 1.88 0.00 0.00 57.90 59.56 3k1q n TYR 233 Cb 0.27 0.00 -0.05 0.00 -0.38 0.00 0.00 39.34 39.18 3k1q n TYR 233 CO 0.00 0.00 0.00 -0.06 -2.08 0.00 0.00 176.86 174.72 3k1q s PHE 234 N -2.00 3.74 -0.26 -3.48 0.40 -1.26 -1.37 117.98 113.74 3k1q s PHE 234 Ca 0.00 1.55 -0.14 0.00 -0.60 0.00 0.00 56.93 57.75 3k1q s PHE 234 Cb 0.00 -2.89 -0.04 0.00 0.51 0.00 0.00 43.02 40.60 3k1q s PHE 234 CO 0.00 0.23 0.31 -2.00 0.70 0.00 0.00 175.22 174.46 3k1q s GLU 235 N 0.06 4.02 0.00 0.44 -6.30 0.33 -4.85 118.70 112.39 3k1q s GLU 235 Ca 0.41 -0.07 0.00 0.00 -2.50 0.00 0.00 54.97 52.82 3k1q s GLU 235 Cb -0.21 -3.64 0.00 0.00 0.00 0.00 0.00 34.13 30.28 3k1q s GLU 235 CO 0.25 -0.20 1.18 1.19 0.02 0.00 0.00 175.26 177.69 3k1q n PHE 236 N 5.10 0.00 0.00 5.30 3.01 -1.26 -1.28 117.46 128.33 3k1q n PHE 236 Ca -0.10 -0.59 0.00 0.00 1.01 0.00 0.00 57.45 57.76 3k1q n PHE 236 Cb 0.51 -0.33 0.00 0.00 -0.01 0.00 0.00 39.48 39.66 3k1q n PHE 236 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3k1q n ALA 237 N 1.03 0.00 -2.95 4.37 0.00 -0.46 -1.19 120.51 121.30 3k1q n ALA 237 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.05 3k1q n ALA 237 Cb 0.41 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.74 3k1q n ALA 237 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3k1q s LYS 238 N 0.00 3.07 0.19 0.00 1.02 -1.26 -5.02 119.74 117.74 3k1q s LYS 238 Ca 0.00 -0.90 -0.30 0.00 0.02 0.00 0.00 55.97 54.79 3k1q s LYS 238 Cb 0.00 -3.56 -0.08 0.00 -0.52 0.00 0.00 37.83 33.67 3k1q s LYS 238 CO 0.00 -0.53 1.08 -1.25 -0.92 0.00 0.00 175.35 173.73 3k1q s PRO 239 N 1.55 4.63 0.00 -1.68 0.04 -1.26 -4.10 135.00 134.17 3k1q s PRO 239 Ca 0.03 1.70 0.00 0.00 0.04 0.00 0.00 61.00 62.77 3k1q s PRO 239 Cb -0.18 -3.27 0.00 0.00 0.04 0.00 0.00 34.50 31.09 3k1q s PRO 239 CO 0.05 0.13 0.00 0.00 0.04 0.00 0.00 177.00 177.23 3k1q n ALA 240 N 2.16 0.00 -1.78 8.56 0.00 -1.26 -4.88 120.51 123.31 3k1q n ALA 240 Ca 0.02 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.09 3k1q n ALA 240 Cb 0.46 -0.96 -0.06 0.00 0.00 0.00 0.00 19.45 18.89 3k1q n ALA 240 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3k1q s LEU 241 N 0.00 4.33 0.19 0.00 1.43 -1.26 -4.62 118.68 118.75 3k1q s LEU 241 Ca 0.00 1.84 -0.13 0.00 -1.03 0.00 0.00 54.13 54.82 3k1q s LEU 241 Cb 0.00 -4.02 0.22 0.00 0.03 0.00 0.00 46.19 42.42 3k1q s LEU 241 CO 0.00 -0.08 1.23 0.59 0.23 0.00 0.00 176.35 178.32 3k1q n ASN 242 N 0.54 -0.48 -4.44 2.29 4.13 -1.26 -3.61 115.26 112.43 3k1q n ASN 242 Ca 0.02 1.38 -0.43 0.00 1.68 0.00 0.00 54.58 57.22 3k1q n ASN 242 Cb 0.50 -0.33 -0.04 0.00 -1.54 0.00 0.00 39.78 38.37 3k1q n ASN 242 CO 0.00 0.00 0.00 -2.84 0.28 0.00 0.00 177.26 174.70 3k1q s PRO 243 N -5.79 3.19 -0.08 3.52 0.02 -1.26 -4.97 135.00 129.63 3k1q s PRO 243 Ca -0.11 -1.10 -0.03 0.00 0.02 0.00 0.00 61.00 59.78 3k1q s PRO 243 Cb 0.17 -4.37 0.05 0.00 0.02 0.00 0.00 34.50 30.37 3k1q s PRO 243 CO 0.57 -1.76 0.17 0.16 -0.33 0.00 0.00 177.00 175.81 3k1q s ASP 244 N 3.67 0.59 -0.01 2.53 -4.77 -1.24 -4.44 116.67 113.00 3k1q s ASP 244 Ca 0.22 0.35 0.08 0.00 -3.30 0.00 0.00 52.55 49.90 3k1q s ASP 244 Cb -0.16 0.29 -0.02 0.00 -1.09 0.00 0.00 42.92 41.94 3k1q s ASP 244 CO 0.06 -0.23 -0.24 -1.10 0.70 0.00 0.00 175.17 174.35 3k1q s GLN 245 N 2.13 2.09 -0.27 2.11 -1.52 -0.33 -4.96 119.66 118.90 3k1q s GLN 245 Ca 0.01 -0.95 -0.13 0.00 -1.95 0.00 0.00 55.36 52.35 3k1q s GLN 245 Cb -0.12 -2.08 -0.04 0.00 -0.22 0.00 0.00 33.01 30.55 3k1q s GLN 245 CO -0.06 0.56 0.28 0.00 -0.25 0.00 0.00 175.29 175.82 3k1q s ALA 246 N -0.69 3.55 -0.13 6.09 0.00 -1.26 -1.35 121.76 127.97 3k1q s ALA 246 Ca 0.11 -0.93 0.03 0.00 0.00 0.00 0.00 51.96 51.16 3k1q s ALA 246 Cb -0.10 -2.59 0.01 0.00 0.00 0.00 0.00 23.12 20.44 3k1q s ALA 246 CO 0.00 -0.58 -0.22 0.08 0.00 0.00 0.00 175.76 175.04 3k1q s VAL 247 N 1.86 2.09 -0.11 0.00 1.01 -0.41 -1.59 120.40 123.25 3k1q s VAL 247 Ca 0.11 -0.98 -0.29 0.00 0.00 0.00 0.00 61.98 60.82 3k1q s VAL 247 Cb -0.16 -1.83 -0.01 0.00 0.00 0.00 0.00 36.38 34.38 3k1q s VAL 247 CO 0.10 0.55 0.99 -0.22 0.00 0.00 0.00 175.10 176.52 3k1q s LEU 248 N 0.74 4.24 -0.07 3.92 2.96 -1.01 -0.51 118.68 128.94 3k1q s LEU 248 Ca -0.09 1.50 0.04 0.00 -0.22 0.00 0.00 54.13 55.36 3k1q s LEU 248 Cb -0.16 -3.52 -0.02 0.00 0.50 0.00 0.00 46.19 42.99 3k1q s LEU 248 CO -0.00 -0.44 -0.20 -0.75 -1.32 0.00 0.00 176.35 173.64 3k1q s LYS 249 N 2.02 2.66 -0.83 1.98 2.20 -0.47 -1.51 119.74 125.77 3k1q s LYS 249 Ca 0.47 -0.81 -0.15 0.00 -0.36 0.00 0.00 55.97 55.13 3k1q s LYS 249 Cb -0.18 -2.30 0.19 0.00 -1.51 0.00 0.00 37.83 34.03 3k1q s LYS 249 CO 0.17 0.44 0.83 -0.46 -0.36 0.00 0.00 175.35 175.97 3k1q s TRP 250 N -0.27 3.59 -1.29 4.03 -0.00 -1.25 -2.81 118.94 120.94 3k1q s TRP 250 Ca 0.01 -1.82 -0.12 0.00 -0.00 0.00 0.00 56.10 54.17 3k1q s TRP 250 Cb -0.13 -3.92 0.14 0.00 -0.00 0.00 0.00 33.47 29.56 3k1q s TRP 250 CO 0.03 -1.10 1.79 -1.71 -0.00 0.00 0.00 176.95 175.96 3k1q n ASN 251 N 4.61 4.94 -4.29 5.86 5.15 0.38 -4.91 115.26 126.99 3k1q n ASN 251 Ca 0.14 -3.02 -0.41 0.00 -0.60 0.00 0.00 54.58 50.70 3k1q n ASN 251 Cb 0.47 -1.56 0.00 0.00 -0.53 0.00 0.00 39.78 38.16 3k1q n ASN 251 CO 0.00 0.00 0.00 -0.90 1.40 0.00 0.00 177.26 177.76 3k1q n ASP 252 N 5.13 -3.08 0.00 1.20 5.68 -1.26 -3.64 116.55 120.58 3k1q n ASP 252 Ca 0.42 0.76 0.00 0.00 -0.50 0.00 0.00 54.79 55.47 3k1q n ASP 252 Cb 0.39 -0.88 0.00 0.00 -1.14 0.00 0.00 41.12 39.50 3k1q n ASP 252 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3k1q n GLY 253 N 2.38 1.29 3.57 6.12 0.00 -1.26 -4.91 105.19 112.38 3k1q n GLY 253 Ca 0.10 -0.78 -0.26 0.00 0.00 0.00 0.00 46.02 45.08 3k1q n GLY 253 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k1q s ALA 254 N -1.55 1.57 -0.27 4.61 0.00 -1.26 -4.93 121.76 119.93 3k1q s ALA 254 Ca 0.00 -1.74 -0.09 0.00 0.00 0.00 0.00 51.96 50.13 3k1q s ALA 254 Cb 0.00 -4.62 -0.03 0.00 0.00 0.00 0.00 23.12 18.47 3k1q s ALA 254 CO 0.00 -5.22 0.12 1.03 0.00 0.00 0.00 175.76 171.69 3k1q s ARG 255 N 7.00 3.73 0.58 0.00 0.52 -1.26 -1.06 118.95 128.46 3k1q s ARG 255 Ca 0.72 -0.45 -0.19 0.00 -0.52 0.00 0.00 55.73 55.28 3k1q s ARG 255 Cb -0.04 -3.47 -0.05 0.00 0.52 0.00 0.00 34.95 31.90 3k1q s ARG 255 CO 0.07 -0.21 1.05 0.00 0.02 0.00 0.00 175.30 176.23 3k1q n ALA 256 N 4.98 0.47 -1.80 2.13 0.00 0.55 -4.90 120.51 121.94 3k1q n ALA 256 Ca -0.15 0.04 -0.41 0.00 0.00 0.00 0.00 53.44 52.93 3k1q n ALA 256 Cb 0.51 -2.16 -0.03 0.00 0.00 0.00 0.00 19.45 17.77 3k1q n ALA 256 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3k1q s ALA 257 N -1.45 3.47 -0.19 0.00 0.00 0.07 -4.85 121.76 118.81 3k1q s ALA 257 Ca 0.74 1.10 -0.29 0.00 0.00 0.00 0.00 51.96 53.52 3k1q s ALA 257 Cb -0.43 -3.42 -0.05 0.00 0.00 0.00 0.00 23.12 19.22 3k1q s ALA 257 CO 0.48 -0.45 2.00 -1.25 0.00 0.00 0.00 175.76 176.55 3k1q s PRO 258 N -1.42 3.45 0.93 0.00 0.04 -1.26 -4.46 135.00 132.28 3k1q s PRO 258 Ca 0.48 1.97 -0.11 0.00 0.04 0.00 0.00 61.00 63.38 3k1q s PRO 258 Cb -0.36 -4.25 0.15 0.00 0.04 0.00 0.00 34.50 30.08 3k1q s PRO 258 CO 0.46 -1.73 1.12 -1.25 0.04 0.00 0.00 177.00 175.63 3k1q s PRO 259 N 5.63 0.92 -0.62 0.56 0.04 -1.21 -4.96 135.00 135.37 3k1q s PRO 259 Ca 0.90 1.33 -0.28 0.00 0.04 0.00 0.00 61.00 62.99 3k1q s PRO 259 Cb -0.31 -1.73 0.03 0.00 0.04 0.00 0.00 34.50 32.52 3k1q s PRO 259 CO 0.35 -2.62 1.22 0.00 0.04 0.00 0.00 177.00 175.99 3k1q s ALA 260 N -2.68 2.93 0.00 8.56 0.00 -1.26 -4.62 121.76 124.69 3k1q s ALA 260 Ca 0.66 -0.96 0.00 0.00 0.00 0.00 0.00 51.96 51.66 3k1q s ALA 260 Cb -0.22 -4.10 0.00 0.00 0.00 0.00 0.00 23.12 18.80 3k1q s ALA 260 CO 0.59 -2.83 0.00 0.00 0.00 0.00 0.00 175.76 173.51 3k1q n ALA 261 N 8.72 0.00 0.00 0.00 0.00 -1.26 -4.68 120.51 123.29 3k1q n ALA 261 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 3k1q n ALA 261 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 3k1q n ALA 261 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3k1q n ALA 262 N 0.00 0.00 -2.62 0.00 0.00 -1.26 -4.23 120.51 112.40 3k1q n ALA 262 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.23 3k1q n ALA 262 Cb 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.30 3k1q n ALA 262 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3k1q s GLN 263 N -2.00 0.95 -0.01 0.00 -0.21 -0.02 -5.01 119.66 113.36 3k1q s GLN 263 Ca 0.00 -0.43 0.00 0.00 0.02 0.00 0.00 55.36 54.95 3k1q s GLN 263 Cb 0.00 -0.92 0.01 0.00 1.00 0.00 0.00 33.01 33.10 3k1q s GLN 263 CO 0.00 0.25 -0.00 0.45 -2.12 0.00 0.00 175.29 173.87 3k1q s SER 264 N -0.31 0.16 0.16 5.90 0.15 -1.26 -1.03 113.70 117.47 3k1q s SER 264 Ca 0.04 -0.01 -0.20 0.00 0.70 0.00 0.00 55.95 56.49 3k1q s SER 264 Cb -0.05 -0.05 0.05 0.00 -1.71 0.00 0.00 66.02 64.26 3k1q s SER 264 CO -0.00 -0.03 0.53 -0.44 1.20 0.00 0.00 173.24 174.50 3k1q s SER 265 N 0.33 -0.39 0.02 5.45 0.01 -0.13 -5.01 113.70 113.98 3k1q s SER 265 Ca -0.03 -0.22 0.08 0.00 1.31 0.00 0.00 55.95 57.09 3k1q s SER 265 Cb -0.05 0.56 -0.03 0.00 0.21 0.00 0.00 66.02 66.72 3k1q s SER 265 CO -0.01 -0.97 -0.23 -0.31 0.41 0.00 0.00 173.24 172.14 3k1q s TYR 266 N -3.80 2.43 0.04 2.43 2.02 -1.22 0.88 117.35 120.13 3k1q s TYR 266 Ca 0.04 -0.34 0.01 0.00 -0.37 0.00 0.00 57.07 56.40 3k1q s TYR 266 Cb -0.00 -1.46 -0.03 0.00 -0.40 0.00 0.00 41.96 40.07 3k1q s TYR 266 CO -0.10 0.14 -0.05 0.96 -1.57 0.00 0.00 175.55 174.93 3k1q s ILE 267 N -0.80 0.37 -0.03 2.71 -4.36 0.11 -2.65 121.20 116.56 3k1q s ILE 267 Ca 0.12 -1.24 -0.01 0.00 -0.26 0.00 0.00 60.65 59.26 3k1q s ILE 267 Cb -0.10 -0.76 0.03 0.00 1.25 0.00 0.00 42.46 42.87 3k1q s ILE 267 CO 0.02 -0.57 0.04 -0.60 0.24 0.00 0.00 174.94 174.07 3k1q s ARG 268 N -2.17 -0.05 -0.68 0.37 3.52 -0.13 0.63 118.95 120.43 3k1q s ARG 268 Ca -0.07 0.25 -0.24 0.00 -0.13 0.00 0.00 55.73 55.55 3k1q s ARG 268 Cb -0.05 -0.33 0.06 0.00 -1.56 0.00 0.00 34.95 33.07 3k1q s ARG 268 CO -0.02 -0.22 1.05 0.00 -0.81 0.00 0.00 175.30 175.30 3k1q n ILE 270 N 6.06 2.82 -3.88 0.00 -5.35 -1.26 -1.64 119.36 116.10 3k1q n ILE 270 Ca -0.02 -1.78 -0.15 0.00 -0.27 0.00 0.00 62.75 60.53 3k1q n ILE 270 Cb 0.46 -1.43 -0.16 0.00 -1.74 0.00 0.00 39.64 36.78 3k1q n ILE 270 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 3k1q s SER 271 N 0.47 0.24 0.66 7.28 0.15 -1.26 -4.76 113.70 116.48 3k1q s SER 271 Ca 0.35 -0.00 0.22 0.00 0.70 0.00 0.00 55.95 57.22 3k1q s SER 271 Cb 0.25 -0.12 1.21 0.00 -1.71 0.00 0.00 66.02 65.65 3k1q s SER 271 CO -0.04 -0.08 1.68 -0.65 1.20 0.00 0.00 173.24 175.35 3k1q h PRO 272 N 7.01 0.00 0.00 5.44 0.11 -1.88 -1.59 132.00 141.09 3k1q h PRO 272 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 3k1q h PRO 272 Cb 1.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3k1q h PRO 272 CO 0.49 0.00 0.00 1.25 -0.21 0.00 0.00 178.00 179.53 3k1q h HIS 273 N 0.00 0.00 0.00 0.65 2.76 -1.95 -2.22 115.15 114.39 3k1q h HIS 273 Ca 0.01 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.18 3k1q h HIS 273 Cb 1.05 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.01 3k1q h HIS 273 CO 0.00 0.00 0.00 0.11 -1.30 0.00 0.00 177.93 176.74 3k1q h TRP 274 N 0.00 0.00 -0.04 5.26 5.08 -1.56 -1.40 115.95 123.29 3k1q h TRP 274 Ca 0.00 0.00 0.01 0.00 1.08 0.00 0.00 58.89 59.98 3k1q h TRP 274 Cb 0.04 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.20 3k1q h TRP 274 CO 0.00 0.00 0.09 1.96 -1.28 0.00 0.00 178.44 179.21 3k1q h GLN 275 N 0.00 0.00 -0.13 0.12 4.20 -1.65 -1.73 115.11 115.92 3k1q h GLN 275 Ca 0.00 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 3k1q h GLN 275 Cb 0.17 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.94 3k1q h GLN 275 CO 0.00 0.00 -0.01 0.72 -0.67 0.00 0.00 178.83 178.87 3k1q n HIS 276 N -3.45 0.47 -3.18 2.96 8.25 -0.53 -4.06 115.22 115.69 3k1q n HIS 276 Ca -0.02 -0.98 -0.26 0.00 -0.26 0.00 0.00 57.72 56.21 3k1q n HIS 276 Cb 0.17 -0.24 -0.06 0.00 1.12 0.00 0.00 29.99 30.98 3k1q n HIS 276 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 3k1q n GLN 277 N -0.99 2.48 -0.27 -0.41 0.00 -0.65 -4.96 117.38 112.57 3k1q n GLN 277 Ca 0.19 -4.48 0.07 0.00 -0.00 0.00 0.00 57.00 52.78 3k1q n GLN 277 Cb 0.77 -2.09 0.21 0.00 0.00 0.00 0.00 30.24 29.13 3k1q n GLN 277 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.06 176.22 3k1q h ILE 278 N 2.76 0.65 -0.50 1.69 -0.00 -1.88 -2.12 117.51 118.10 3k1q h ILE 278 Ca 0.15 -0.16 0.05 0.00 -0.00 0.00 0.00 64.86 64.89 3k1q h ILE 278 Cb 0.65 0.13 -0.06 0.00 -0.00 0.00 0.00 36.82 37.54 3k1q h ILE 278 CO 0.76 0.09 -0.30 0.52 -0.00 0.00 0.00 178.15 179.22 3k1q n VAL 279 N -4.98 -0.34 -0.23 0.16 0.31 -1.26 -1.93 118.33 110.07 3k1q n VAL 279 Ca 0.16 1.81 0.11 0.00 -0.01 0.00 0.00 64.34 66.41 3k1q n VAL 279 Cb 0.45 -2.29 0.39 0.00 -0.91 0.00 0.00 33.84 31.48 3k1q n VAL 279 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 3k1q h GLU 280 N 0.00 0.65 -0.23 5.55 5.08 -1.76 -1.90 114.58 121.96 3k1q h GLU 280 Ca 0.08 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 3k1q h GLU 280 Cb 0.21 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 3k1q h GLU 280 CO -0.47 0.43 0.07 0.28 -1.00 0.00 0.00 179.01 178.32 3k1q h VAL 281 N 0.66 1.20 -0.95 3.13 2.07 -1.34 -2.22 116.25 118.79 3k1q h VAL 281 Ca 0.40 -0.62 -0.00 0.00 0.82 0.00 0.00 66.70 67.29 3k1q h VAL 281 Cb 0.61 1.16 -0.05 0.00 -1.52 0.00 0.00 31.29 31.50 3k1q h VAL 281 CO -0.16 0.20 0.59 0.00 0.02 0.00 0.00 177.57 178.22 3k1q h ALA 282 N 0.90 1.21 -0.96 1.67 0.00 -1.28 -1.85 119.26 118.95 3k1q h ALA 282 Ca 0.08 -0.09 0.16 0.00 0.00 0.00 0.00 54.91 55.06 3k1q h ALA 282 Cb 0.24 -0.38 -0.17 0.00 0.00 0.00 0.00 17.79 17.48 3k1q h ALA 282 CO -0.00 0.65 -0.34 0.78 0.00 0.00 0.00 179.25 180.34 3k1q h GLY 283 N 1.31 0.27 1.25 0.00 0.00 -0.74 0.29 103.07 105.44 3k1q h GLY 283 Ca 0.34 0.45 -0.23 0.00 0.00 0.00 0.00 47.33 47.89 3k1q h GLY 283 CO -0.07 -0.26 -0.85 0.00 0.00 0.00 0.00 176.54 175.37 3k1q h ALA 284 N 1.55 0.29 0.03 3.60 0.00 -1.10 -1.75 119.26 121.88 3k1q h ALA 284 Ca 0.38 -0.63 0.03 0.00 0.00 0.00 0.00 54.91 54.69 3k1q h ALA 284 Cb 0.63 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.38 3k1q h ALA 284 CO -0.98 0.70 -0.26 1.25 0.00 0.00 0.00 179.25 179.97 3k1q h LEU 285 N 0.47 -0.75 -0.55 0.00 5.85 -0.77 0.10 115.31 119.66 3k1q h LEU 285 Ca -0.07 0.10 0.09 0.00 0.84 0.00 0.00 57.88 58.84 3k1q h LEU 285 Cb 1.48 0.30 -0.10 0.00 0.37 0.00 0.00 40.66 42.71 3k1q h LEU 285 CO 0.17 -0.33 -0.42 -0.03 -0.34 0.00 0.00 178.44 177.49 3k1q h MET 286 N -0.41 -0.22 -0.45 1.25 4.05 -0.19 -2.35 114.93 116.61 3k1q h MET 286 Ca 0.05 0.02 -0.11 0.00 -0.28 0.00 0.00 59.70 59.38 3k1q h MET 286 Cb 0.48 0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 31.32 3k1q h MET 286 CO -0.21 -0.15 -0.17 0.66 0.23 0.00 0.00 176.91 177.28 3k1q h SER 287 N -0.23 0.92 -0.45 1.39 4.64 -1.03 -1.00 113.55 117.79 3k1q h SER 287 Ca 0.18 -0.39 0.13 0.00 -0.47 0.00 0.00 61.79 61.25 3k1q h SER 287 Cb 0.56 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 62.38 3k1q h SER 287 CO -0.67 1.10 0.57 1.56 -0.87 0.00 0.00 176.83 178.52 3k1q h GLN 288 N 0.74 0.00 0.00 4.77 1.08 -0.69 -2.09 115.11 118.92 3k1q h GLN 288 Ca 0.11 0.00 -0.12 0.00 -1.45 0.00 0.00 58.65 57.18 3k1q h GLN 288 Cb 0.73 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.14 3k1q h GLN 288 CO 0.06 0.00 -0.59 0.77 -0.95 0.00 0.00 178.83 178.12 3k1q h SER 289 N 0.00 0.00 -0.20 1.46 0.02 -0.62 -2.75 113.55 111.45 3k1q h SER 289 Ca 0.21 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.15 3k1q h SER 289 Cb 1.35 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.88 3k1q h SER 289 CO -0.00 0.59 0.07 0.58 -1.14 0.00 0.00 176.83 176.93 3k1q h VAL 290 N 0.00 1.18 -0.75 2.27 2.07 -1.30 -3.27 116.25 116.45 3k1q h VAL 290 Ca -0.01 -0.55 0.14 0.00 0.82 0.00 0.00 66.70 67.10 3k1q h VAL 290 Cb 1.11 1.17 -0.14 0.00 -1.52 0.00 0.00 31.29 31.91 3k1q h VAL 290 CO 0.08 0.18 -0.28 0.74 0.02 0.00 0.00 177.57 178.30 3k1q h THR 291 N 0.16 0.16 -1.48 2.57 2.02 -1.37 -0.53 112.91 114.44 3k1q h THR 291 Ca 0.07 0.00 0.46 0.00 0.77 0.00 0.00 66.41 67.70 3k1q h THR 291 Cb 0.21 0.16 -0.10 0.00 -1.74 0.00 0.00 68.15 66.68 3k1q h THR 291 CO -0.00 0.00 1.01 0.00 0.37 0.00 0.00 175.52 176.90 3k1q h ALA 292 N 1.43 3.10 -0.00 6.16 0.00 -1.54 0.13 119.26 128.53 3k1q h ALA 292 Ca 0.32 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.27 3k1q h ALA 292 Cb 0.57 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.53 3k1q h ALA 292 CO -0.79 -1.66 -0.67 1.33 0.00 0.00 0.00 179.25 177.46 3k1q n VAL 293 N -4.40 0.00 -4.25 0.00 0.24 -0.24 -4.93 118.33 104.75 3k1q n VAL 293 Ca 0.37 -0.06 -0.21 0.00 -2.04 0.00 0.00 64.34 62.41 3k1q n VAL 293 Cb 1.55 0.75 -0.12 0.00 -1.47 0.00 0.00 33.84 34.55 3k1q n VAL 293 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 3k1q s THR 294 N -2.85 1.47 -0.85 3.34 -4.23 0.46 -4.42 115.64 108.55 3k1q s THR 294 Ca 0.13 -1.56 -0.20 0.00 -1.18 0.00 0.00 61.69 58.88 3k1q s THR 294 Cb 0.17 -1.44 0.11 0.00 1.34 0.00 0.00 72.50 72.68 3k1q s THR 294 CO 0.73 -0.22 1.07 -0.83 -0.54 0.00 0.00 174.62 174.83 3k1q s GLY 295 N -2.07 1.78 -0.02 3.99 0.00 -1.26 -4.73 107.32 105.01 3k1q s GLY 295 Ca 0.06 -2.52 -0.32 0.00 0.00 0.00 0.00 44.72 41.94 3k1q s GLY 295 CO 0.04 2.01 1.92 -0.10 0.00 0.00 0.00 173.10 176.97 3k1q n LEU 296 N 6.85 3.80 -4.89 0.66 7.94 -1.26 -4.99 117.00 125.11 3k1q n LEU 296 Ca 0.16 0.94 -0.29 0.00 -1.11 0.00 0.00 56.01 55.71 3k1q n LEU 296 Cb 0.48 -1.45 -0.02 0.00 0.53 0.00 0.00 43.42 42.96 3k1q n LEU 296 CO 0.54 0.07 0.40 -2.16 -1.11 0.00 0.00 177.39 175.14 3k1q s PRO 297 N 4.18 3.69 -0.15 1.96 0.04 -1.26 -4.85 135.00 138.61 3k1q s PRO 297 Ca 0.91 0.32 -0.01 0.00 0.04 0.00 0.00 61.00 62.26 3k1q s PRO 297 Cb -0.57 -2.43 0.00 0.00 0.04 0.00 0.00 34.50 31.55 3k1q s PRO 297 CO 0.47 -0.04 0.02 0.00 0.04 0.00 0.00 177.00 177.49 3k1q n ALA 298 N -1.49 -3.27 -1.69 8.56 0.00 -1.26 -4.95 120.51 116.41 3k1q n ALA 298 Ca 0.01 0.38 -0.34 0.00 0.00 0.00 0.00 53.44 53.49 3k1q n ALA 298 Cb 0.54 -0.75 0.01 0.00 0.00 0.00 0.00 19.45 19.26 3k1q n ALA 298 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3k1q s LEU 299 N -0.79 3.64 -0.15 0.00 1.43 -1.26 -4.23 118.68 117.31 3k1q s LEU 299 Ca -0.02 2.10 -0.18 0.00 -1.03 0.00 0.00 54.13 55.00 3k1q s LEU 299 Cb 0.00 -4.57 -0.04 0.00 0.03 0.00 0.00 46.19 41.61 3k1q s LEU 299 CO 0.41 -1.32 0.47 -0.63 0.23 0.00 0.00 176.35 175.51 3k1q s ILE 300 N -1.97 5.17 0.49 -0.59 1.01 0.21 -0.93 121.20 124.58 3k1q s ILE 300 Ca 0.70 0.90 -0.24 0.00 0.00 0.00 0.00 60.65 62.01 3k1q s ILE 300 Cb -0.22 -3.80 -0.07 0.00 0.01 0.00 0.00 42.46 38.38 3k1q s ILE 300 CO 0.31 0.28 1.39 -0.67 0.00 0.00 0.00 174.94 176.25 3k1q n ASP 301 N 4.08 3.03 0.09 3.58 2.03 -1.23 -1.53 116.55 126.60 3k1q n ASP 301 Ca -0.07 1.06 -0.13 0.00 0.52 0.00 0.00 54.79 56.18 3k1q n ASP 301 Cb 0.51 -1.59 -0.06 0.00 -0.72 0.00 0.00 41.12 39.27 3k1q n ASP 301 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 3k1q h GLU 302 N 1.95 -0.51 -0.64 -0.67 4.57 -1.93 -3.10 114.58 114.24 3k1q h GLU 302 Ca -0.51 0.03 0.13 0.00 -1.18 0.00 0.00 59.36 57.84 3k1q h GLU 302 Cb 1.28 0.12 -0.11 0.00 -0.16 0.00 0.00 28.75 29.88 3k1q h GLU 302 CO 0.59 -0.34 -0.03 0.00 -1.18 0.00 0.00 179.01 178.06 3k1q h ALA 303 N 0.12 0.60 0.00 2.92 0.00 -1.93 -1.44 119.26 119.53 3k1q h ALA 303 Ca 0.04 0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.16 3k1q h ALA 303 Cb 0.59 0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.75 3k1q h ALA 303 CO -0.24 -0.40 0.00 0.25 0.00 0.00 0.00 179.25 178.86 3k1q n THR 304 N -5.32 0.88 -4.11 0.00 -2.24 -1.17 -4.72 114.28 97.60 3k1q n THR 304 Ca 0.09 0.22 -0.28 0.00 -2.27 0.00 0.00 64.05 61.81 3k1q n THR 304 Cb 0.37 -1.19 -0.07 0.00 -2.10 0.00 0.00 70.33 67.34 3k1q n THR 304 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3k1q s LEU 305 N -2.47 3.61 0.38 3.22 1.43 -0.55 -5.07 118.68 119.24 3k1q s LEU 305 Ca 0.02 -0.18 -0.28 0.00 -1.03 0.00 0.00 54.13 52.67 3k1q s LEU 305 Cb 0.01 -2.28 -0.10 0.00 0.03 0.00 0.00 46.19 43.86 3k1q s LEU 305 CO 0.03 0.12 1.42 -2.16 0.23 0.00 0.00 176.35 175.99 3k1q s PRO 306 N -2.73 4.09 0.00 1.29 0.04 -1.26 -4.94 135.00 131.49 3k1q s PRO 306 Ca 0.29 2.44 0.00 0.00 0.04 0.00 0.00 61.00 63.76 3k1q s PRO 306 Cb -0.11 -2.93 0.00 0.00 0.04 0.00 0.00 34.50 31.50 3k1q s PRO 306 CO 0.21 -0.49 0.00 0.00 0.04 0.00 0.00 177.00 176.75 3k1q n ALA 307 N 0.41 0.00 -0.20 8.56 0.00 -1.26 -1.01 120.51 127.01 3k1q n ALA 307 Ca 0.02 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.54 3k1q n ALA 307 Cb 0.40 0.00 0.37 0.00 0.00 0.00 0.00 19.45 20.22 3k1q n ALA 307 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.50 177.61 3k1q h TRP 308 N 0.00 0.76 -1.19 0.00 0.09 -2.00 -3.21 115.95 110.39 3k1q h TRP 308 Ca 0.00 0.02 -0.58 0.00 0.09 0.00 0.00 58.89 58.42 3k1q h TRP 308 Cb 0.00 -0.25 -0.22 0.00 0.08 0.00 0.00 29.16 28.77 3k1q h TRP 308 CO 0.00 0.37 0.69 0.43 0.09 0.00 0.00 178.44 180.02 3k1q n SER 309 N -4.49 7.04 -4.73 0.11 7.64 -0.18 -4.96 113.62 114.04 3k1q n SER 309 Ca 0.12 -3.48 -0.35 0.00 1.01 0.00 0.00 58.87 56.17 3k1q n SER 309 Cb 0.29 -1.10 -0.09 0.00 -1.01 0.00 0.00 64.21 62.30 3k1q n SER 309 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 3k1q s GLN 310 N -2.85 3.07 -0.86 1.43 -1.52 -1.22 -4.75 119.66 112.97 3k1q s GLN 310 Ca 0.53 -0.36 -0.03 0.00 -1.95 0.00 0.00 55.36 53.55 3k1q s GLN 310 Cb 0.40 -2.87 -0.02 0.00 -0.22 0.00 0.00 33.01 30.29 3k1q s GLN 310 CO -0.19 0.71 0.77 0.41 -0.25 0.00 0.00 175.29 176.74 3k1q n GLY 311 N 2.01 -1.21 3.05 3.09 0.00 -1.26 -5.02 105.19 105.85 3k1q n GLY 311 Ca -0.18 0.51 -0.33 0.00 0.00 0.00 0.00 46.02 46.02 3k1q n GLY 311 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3k1q s VAL 312 N -3.14 2.71 0.00 1.61 1.01 -1.26 -5.00 120.40 116.33 3k1q s VAL 312 Ca 0.16 -2.39 0.00 0.00 0.00 0.00 0.00 61.98 59.75 3k1q s VAL 312 Cb -0.03 -2.92 0.00 0.00 0.00 0.00 0.00 36.38 33.43 3k1q s VAL 312 CO 0.76 -0.67 0.00 0.00 0.00 0.00 0.00 175.10 175.19 3k1q n ALA 313 N 4.20 0.00 -0.33 5.51 0.00 -1.26 0.14 120.51 128.77 3k1q n ALA 313 Ca 0.02 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.61 3k1q n ALA 313 Cb 0.41 0.00 0.37 0.00 0.00 0.00 0.00 19.45 20.22 3k1q n ALA 313 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 3k1q h ASN 314 N 0.00 0.70 0.11 0.00 4.21 -2.03 -3.37 115.58 115.20 3k1q h ASN 314 Ca 0.00 0.08 -0.16 0.00 1.21 0.00 0.00 56.30 57.43 3k1q h ASN 314 Cb 0.00 -0.05 0.02 0.00 -1.12 0.00 0.00 38.32 37.17 3k1q h ASN 314 CO 0.00 0.26 -0.70 0.25 -1.29 0.00 0.00 177.43 175.95 3k1q h LEU 315 N 0.69 0.42 -9.43 1.61 5.85 -0.66 -3.47 115.31 110.33 3k1q h LEU 315 Ca 0.55 -0.94 -0.54 0.00 0.84 0.00 0.00 57.88 57.78 3k1q h LEU 315 Cb 0.95 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.85 3k1q h LEU 315 CO -0.32 1.33 0.78 -0.89 -0.34 0.00 0.00 178.44 179.00 3k1q s THR 316 N -2.47 3.66 0.05 1.05 2.01 -0.53 -0.62 115.64 118.78 3k1q s THR 316 Ca -0.14 1.10 -0.01 0.00 0.31 0.00 0.00 61.69 62.95 3k1q s THR 316 Cb 0.01 -3.71 -0.04 0.00 0.01 0.00 0.00 72.50 68.77 3k1q s THR 316 CO 0.81 0.03 -0.02 -0.83 -0.69 0.00 0.00 174.62 173.92 3k1q s GLY 317 N 1.61 0.45 0.00 4.40 0.00 -0.58 -4.80 107.32 108.39 3k1q s GLY 317 Ca 0.63 -1.16 0.00 0.00 0.00 0.00 0.00 44.72 44.20 3k1q s GLY 317 CO 0.28 -1.27 0.00 0.70 0.00 0.00 0.00 173.10 172.81 3k1q n ASN 318 N 0.19 0.00 -3.15 1.64 4.13 -1.26 -3.51 115.26 113.30 3k1q n ASN 318 Ca -0.15 0.00 -0.23 0.00 1.68 0.00 0.00 54.58 55.89 3k1q n ASN 318 Cb 0.61 0.00 -0.02 0.00 -1.54 0.00 0.00 39.78 38.83 3k1q n ASN 318 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3k1q n GLY 319 N 4.12 3.17 0.00 7.41 0.00 -1.26 -4.72 105.19 113.91 3k1q n GLY 319 Ca 0.00 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 45.13 3k1q n GLY 319 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3k1q n GLN 320 N 4.09 3.59 -3.92 1.61 1.13 -1.26 -5.01 117.38 117.61 3k1q n GLN 320 Ca 0.47 0.00 -0.35 0.00 -1.94 0.00 0.00 57.00 55.18 3k1q n GLN 320 Cb 0.15 0.00 -0.14 0.00 0.11 0.00 0.00 30.24 30.36 3k1q n GLN 320 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 3k1q s GLY 321 N 0.00 1.61 0.61 1.08 0.00 -0.11 -4.91 107.32 105.59 3k1q s GLY 321 Ca 0.00 -1.23 -0.17 0.00 0.00 0.00 0.00 44.72 43.32 3k1q s GLY 321 CO 0.00 0.44 1.13 -1.34 0.00 0.00 0.00 173.10 173.33 3k1q s VAL 322 N 1.44 3.13 -0.68 1.40 -7.23 -1.26 -3.72 120.40 113.49 3k1q s VAL 322 Ca 0.05 0.61 -0.11 0.00 -1.81 0.00 0.00 61.98 60.72 3k1q s VAL 322 Cb -0.15 -3.17 0.18 0.00 0.56 0.00 0.00 36.38 33.80 3k1q s VAL 322 CO -0.04 -0.24 0.58 -0.69 -0.31 0.00 0.00 175.10 174.40 3k1q s VAL 323 N -2.04 4.87 0.64 1.32 1.01 -1.26 -3.45 120.40 121.49 3k1q s VAL 323 Ca 0.70 -2.34 -0.18 0.00 0.00 0.00 0.00 61.98 60.17 3k1q s VAL 323 Cb -0.23 -4.09 -0.02 0.00 0.00 0.00 0.00 36.38 32.05 3k1q s VAL 323 CO 0.35 -0.93 1.27 -2.84 0.00 0.00 0.00 175.10 172.95 3k1q s PRO 324 N 0.51 2.64 0.00 2.72 0.02 -1.09 -4.87 135.00 134.94 3k1q s PRO 324 Ca 0.14 2.00 0.00 0.00 0.02 0.00 0.00 61.00 63.16 3k1q s PRO 324 Cb -0.18 -1.86 0.00 0.00 0.02 0.00 0.00 34.50 32.48 3k1q s PRO 324 CO -0.05 -1.51 0.00 0.00 -0.33 0.00 0.00 177.00 175.11 3k1q n LEU 326 N 0.00 0.00 -0.35 0.00 7.94 -1.18 -0.96 117.00 122.45 3k1q n LEU 326 Ca 0.00 0.00 0.25 0.00 -1.11 0.00 0.00 56.01 55.15 3k1q n LEU 326 Cb 0.00 0.00 0.50 0.00 0.53 0.00 0.00 43.42 44.45 3k1q n LEU 326 CO 0.00 0.00 1.17 0.44 -1.11 0.00 0.00 177.39 177.89 3k1q h ASP 327 N 0.00 0.48 0.00 1.96 3.32 -1.92 -3.40 116.42 116.86 3k1q h ASP 327 Ca 0.00 0.15 0.00 0.00 0.02 0.00 0.00 57.03 57.20 3k1q h ASP 327 Cb 0.00 0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.64 3k1q h ASP 327 CO 0.00 -0.06 0.00 0.00 -1.72 0.00 0.00 179.24 177.46 3k1q n TYR 328 N -4.87 0.00 -4.55 4.55 -0.00 -1.26 -4.62 117.16 106.41 3k1q n TYR 328 Ca 0.31 0.00 -0.31 0.00 -0.00 0.00 0.00 57.90 57.90 3k1q n TYR 328 Cb 1.01 0.00 -0.17 0.00 -0.00 0.00 0.00 39.34 40.18 3k1q n TYR 328 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 176.86 176.06 3k1q s ASN 329 N 0.00 2.87 0.49 9.48 0.01 -1.26 -4.52 114.94 122.01 3k1q s ASN 329 Ca 0.00 -0.54 0.26 0.00 -0.71 0.00 0.00 52.86 51.87 3k1q s ASN 329 Cb 0.00 -1.31 1.33 0.00 0.41 0.00 0.00 41.25 41.67 3k1q s ASN 329 CO 0.00 0.05 1.88 -0.65 -1.51 0.00 0.00 177.10 176.87 3k1q h PRO 330 N 7.41 0.15 -0.46 -0.60 0.11 -1.97 -2.92 132.00 133.72 3k1q h PRO 330 Ca -0.33 -0.01 0.09 0.00 0.11 0.00 0.00 66.00 65.86 3k1q h PRO 330 Cb 1.18 -0.03 -0.08 0.00 0.11 0.00 0.00 31.00 32.17 3k1q h PRO 330 CO 0.53 0.10 -0.06 0.28 -0.21 0.00 0.00 178.00 178.64 3k1q h VAL 331 N 0.15 0.58 0.22 3.15 2.07 -1.91 -1.07 116.25 119.45 3k1q h VAL 331 Ca 0.44 -0.02 0.01 0.00 0.82 0.00 0.00 66.70 67.95 3k1q h VAL 331 Cb 1.49 0.53 -0.04 0.00 -1.52 0.00 0.00 31.29 31.75 3k1q h VAL 331 CO -0.08 0.01 -0.50 -0.65 0.02 0.00 0.00 177.57 176.37 3k1q h PRO 332 N 0.05 -0.77 -0.99 1.57 0.11 -1.79 -2.79 132.00 127.38 3k1q h PRO 332 Ca 0.23 0.05 0.35 0.00 0.11 0.00 0.00 66.00 66.74 3k1q h PRO 332 Cb 0.34 0.18 -0.18 0.00 0.11 0.00 0.00 31.00 31.45 3k1q h PRO 332 CO -0.44 -0.52 0.34 1.98 -0.21 0.00 0.00 178.00 179.16 3k1q h MET 333 N -0.80 0.04 -0.36 1.05 4.05 -1.62 0.18 114.93 117.47 3k1q h MET 333 Ca -0.01 -0.00 0.04 0.00 -0.28 0.00 0.00 59.70 59.44 3k1q h MET 333 Cb 0.78 -0.01 -0.06 0.00 -0.80 0.00 0.00 31.60 31.51 3k1q h MET 333 CO -0.22 0.02 -0.37 0.00 0.23 0.00 0.00 176.91 176.57 3k1q h ALA 334 N 1.97 -0.55 -0.41 0.39 0.00 -0.92 -0.96 119.26 118.78 3k1q h ALA 334 Ca 0.74 0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.73 3k1q h ALA 334 Cb 1.78 1.05 -0.09 0.00 0.00 0.00 0.00 17.79 20.53 3k1q h ALA 334 CO -0.81 -0.75 -0.44 0.00 0.00 0.00 0.00 179.25 177.26 3k1q h ALA 335 N -0.37 -0.45 -0.45 0.00 0.00 -0.55 0.30 119.26 117.75 3k1q h ALA 335 Ca 0.06 0.06 0.09 0.00 0.00 0.00 0.00 54.91 55.12 3k1q h ALA 335 Cb 0.36 0.91 -0.09 0.00 0.00 0.00 0.00 17.79 18.96 3k1q h ALA 335 CO -0.44 -0.87 -0.23 0.00 0.00 0.00 0.00 179.25 177.70 3k1q h ALA 336 N 0.41 0.07 -0.79 0.00 0.00 -1.17 0.10 119.26 117.88 3k1q h ALA 336 Ca 0.14 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 3k1q h ALA 336 Cb 0.58 0.55 -0.04 0.00 0.00 0.00 0.00 17.79 18.89 3k1q h ALA 336 CO -0.58 -0.59 0.47 0.00 0.00 0.00 0.00 179.25 178.55 3k1q h ARG 337 N -0.14 1.07 -0.32 0.00 3.08 -0.77 -0.76 114.38 116.54 3k1q h ARG 337 Ca 0.21 -0.10 -0.09 0.00 0.07 0.00 0.00 59.98 60.07 3k1q h ARG 337 Cb 0.47 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.29 3k1q h ARG 337 CO -0.53 0.75 -0.16 1.12 -1.07 0.00 0.00 179.97 180.08 3k1q h HIS 338 N 1.09 0.78 0.00 3.04 2.07 -0.27 -2.61 115.15 119.25 3k1q h HIS 338 Ca 0.28 -0.20 0.00 0.00 -2.85 0.00 0.00 60.37 57.61 3k1q h HIS 338 Cb -0.04 -0.18 0.00 0.00 2.57 0.00 0.00 27.41 29.76 3k1q h HIS 338 CO 0.00 0.90 0.00 1.25 -3.07 0.00 0.00 177.93 177.01 3k1q h LEU 339 N 0.45 0.00 0.42 6.12 5.85 0.56 -1.54 115.31 127.17 3k1q h LEU 339 Ca 0.07 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 3k1q h LEU 339 Cb 0.69 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.70 3k1q h LEU 339 CO 0.05 0.00 -0.42 1.56 -0.34 0.00 0.00 178.44 179.29 3k1q h GLN 340 N 0.00 -0.83 0.00 1.25 1.08 -1.12 0.03 115.11 115.52 3k1q h GLN 340 Ca 0.00 0.06 -0.00 0.00 -1.45 0.00 0.00 58.65 57.26 3k1q h GLN 340 Cb 0.50 0.19 -0.00 0.00 -0.05 0.00 0.00 27.48 28.11 3k1q h GLN 340 CO 0.00 -0.55 -0.01 -1.49 -0.95 0.00 0.00 178.83 175.83 3k1q h TRP 341 N -0.86 0.00 -0.12 2.96 6.55 -0.95 0.54 115.95 124.07 3k1q h TRP 341 Ca -0.04 0.00 -0.18 0.00 0.95 0.00 0.00 58.89 59.62 3k1q h TRP 341 Cb 0.76 0.00 0.01 0.00 -0.86 0.00 0.00 29.16 29.07 3k1q h TRP 341 CO -0.23 0.01 -0.62 0.00 -1.05 0.00 0.00 178.44 176.55 3k1q h ARG 342 N 0.00 0.63 -0.55 0.49 3.08 -1.02 0.24 114.38 117.25 3k1q h ARG 342 Ca -0.00 -0.52 -0.03 0.00 0.07 0.00 0.00 59.98 59.50 3k1q h ARG 342 Cb 0.01 0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.14 3k1q h ARG 342 CO 0.00 1.14 0.23 1.96 -1.07 0.00 0.00 179.97 182.23 3k1q h GLN 343 N 0.28 0.81 -1.00 0.04 4.20 -0.29 -2.57 115.11 116.59 3k1q h GLN 343 Ca -0.04 -0.14 0.09 0.00 0.06 0.00 0.00 58.65 58.61 3k1q h GLN 343 Cb 1.26 -0.14 -0.07 0.00 0.30 0.00 0.00 27.48 28.83 3k1q h GLN 343 CO 0.13 0.69 0.64 -0.44 -0.67 0.00 0.00 178.83 179.18 3k1q h ASP 344 N 0.75 0.98 -4.07 1.46 3.45 -0.87 -3.48 116.42 114.65 3k1q h ASP 344 Ca 0.18 0.03 -0.24 0.00 0.43 0.00 0.00 57.03 57.43 3k1q h ASP 344 Cb 0.17 -0.18 0.09 0.00 -0.56 0.00 0.00 39.33 38.86 3k1q h ASP 344 CO -0.02 0.59 -0.43 0.61 -1.57 0.00 0.00 179.24 178.42 3k1q n GLY 345 N -1.35 0.00 0.13 2.75 0.00 -0.37 -4.96 105.19 101.39 3k1q n GLY 345 Ca 0.17 -0.10 -0.16 0.00 0.00 0.00 0.00 46.02 45.93 3k1q n GLY 345 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3k1q h LEU 346 N -1.60 0.52 -8.03 0.99 6.46 -0.88 -3.47 115.31 109.31 3k1q h LEU 346 Ca -0.36 -0.50 -0.10 0.00 -0.12 0.00 0.00 57.88 56.80 3k1q h LEU 346 Cb 1.23 -0.17 -0.13 0.00 -0.73 0.00 0.00 40.66 40.86 3k1q h LEU 346 CO 0.34 1.35 -0.35 0.27 -0.62 0.00 0.00 178.44 179.43 3k1q s ILE 347 N -2.89 0.09 -0.30 4.05 -5.25 -1.24 -5.08 121.20 110.58 3k1q s ILE 347 Ca -0.05 -1.36 -0.33 0.00 -0.99 0.00 0.00 60.65 57.92 3k1q s ILE 347 Cb 0.07 -1.71 -0.09 0.00 2.95 0.00 0.00 42.46 43.68 3k1q s ILE 347 CO 0.89 -0.40 2.20 0.35 -1.79 0.00 0.00 174.94 176.18 3k1q n THR 348 N -0.17 0.24 -0.20 8.37 -2.24 -1.26 -4.55 114.28 114.48 3k1q n THR 348 Ca -0.09 -0.33 0.09 0.00 -2.27 0.00 0.00 64.05 61.44 3k1q n THR 348 Cb 0.63 -1.98 0.17 0.00 -2.10 0.00 0.00 70.33 67.05 3k1q n THR 348 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3k1q n ALA 349 N 10.53 0.30 -2.37 6.98 0.00 -1.26 -2.57 120.51 132.11 3k1q n ALA 349 Ca 0.37 0.62 -0.03 0.00 0.00 0.00 0.00 53.44 54.40 3k1q n ALA 349 Cb 0.31 -0.46 0.06 0.00 0.00 0.00 0.00 19.45 19.36 3k1q n ALA 349 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3k1q n ALA 350 N -3.35 3.23 -0.91 0.00 0.00 -1.26 -4.97 120.51 113.24 3k1q n ALA 350 Ca 0.14 -2.96 0.00 0.00 0.00 0.00 0.00 53.44 50.62 3k1q n ALA 350 Cb 0.45 -0.64 0.00 0.00 0.00 0.00 0.00 19.45 19.27 3k1q n ALA 350 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 3k1q n GLN 351 N -0.42 0.00 -0.06 0.00 7.27 -1.06 -4.69 117.38 118.43 3k1q n GLN 351 Ca 0.17 0.00 -0.08 0.00 0.07 0.00 0.00 57.00 57.15 3k1q n GLN 351 Cb 0.91 0.00 -0.02 0.00 2.41 0.00 0.00 30.24 33.54 3k1q n GLN 351 CO 0.00 0.00 0.00 1.49 0.07 0.00 0.00 177.06 178.62 3k1q h GLU 352 N 0.00 0.20 -0.81 3.69 4.81 -1.96 -2.45 114.58 118.06 3k1q h GLU 352 Ca 0.00 -0.01 0.12 0.00 -0.13 0.00 0.00 59.36 59.34 3k1q h GLU 352 Cb 0.00 -0.05 -0.08 0.00 0.63 0.00 0.00 28.75 29.25 3k1q h GLU 352 CO 0.00 0.13 0.43 0.00 -0.73 0.00 0.00 179.01 178.84 3k1q h ALA 353 N 1.15 1.17 -0.60 2.92 0.00 -1.90 -0.39 119.26 121.60 3k1q h ALA 353 Ca 0.10 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 3k1q h ALA 353 Cb 0.06 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 3k1q h ALA 353 CO -0.10 -0.02 0.24 -0.56 0.00 0.00 0.00 179.25 178.81 3k1q h GLN 354 N 0.67 0.87 -0.07 0.00 -0.00 -1.72 -1.05 115.11 113.82 3k1q h GLN 354 Ca 0.42 -0.14 0.03 0.00 -0.00 0.00 0.00 58.65 58.96 3k1q h GLN 354 Cb 0.49 -0.15 -0.04 0.00 -0.00 0.00 0.00 27.48 27.78 3k1q h GLN 354 CO -0.30 0.71 -0.15 -0.07 -0.00 0.00 0.00 178.83 179.02 3k1q h LEU 355 N 0.86 -0.46 -0.39 0.06 3.38 -1.29 -1.93 115.31 115.55 3k1q h LEU 355 Ca 0.21 0.08 0.03 0.00 0.09 0.00 0.00 57.88 58.28 3k1q h LEU 355 Cb 0.16 0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 3k1q h LEU 355 CO -0.02 -0.20 0.19 -0.55 0.09 0.00 0.00 178.44 177.95 3k1q h ASN 356 N -0.22 0.28 0.00 -0.43 -1.07 -0.56 -2.52 115.58 111.06 3k1q h ASN 356 Ca 0.07 0.02 0.01 0.00 0.07 0.00 0.00 56.30 56.47 3k1q h ASN 356 Cb 0.32 -0.03 -0.03 0.00 -2.07 0.00 0.00 38.32 36.51 3k1q h ASN 356 CO -0.19 0.20 -0.29 0.78 0.07 0.00 0.00 177.43 178.00 3k1q h ASN 357 N 0.39 -0.91 -0.62 6.14 2.35 -0.77 0.86 115.58 123.03 3k1q h ASN 357 Ca 0.17 0.10 0.10 0.00 -0.55 0.00 0.00 56.30 56.12 3k1q h ASN 357 Cb 0.08 0.34 -0.12 0.00 0.05 0.00 0.00 38.32 38.67 3k1q h ASN 357 CO -0.12 -0.29 -0.36 0.44 -1.65 0.00 0.00 177.43 175.45 3k1q h ASP 358 N -0.37 -1.26 -0.45 5.81 3.32 -1.25 0.24 116.42 122.45 3k1q h ASP 358 Ca 0.01 0.24 0.01 0.00 0.02 0.00 0.00 57.03 57.31 3k1q h ASP 358 Cb 0.40 0.62 -0.03 0.00 0.22 0.00 0.00 39.33 40.53 3k1q h ASP 358 CO -0.20 -0.31 0.29 0.22 -1.72 0.00 0.00 179.24 177.52 3k1q h TYR 359 N -0.17 0.54 -0.60 4.55 3.20 -0.67 -1.46 116.97 122.36 3k1q h TYR 359 Ca 0.23 0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.16 3k1q h TYR 359 Cb 0.56 -0.18 -0.05 0.00 1.54 0.00 0.00 36.73 38.60 3k1q h TYR 359 CO -0.67 0.32 0.32 1.15 -1.64 0.00 0.00 178.16 177.64 3k1q h THR 360 N 0.58 0.97 -0.60 1.81 2.02 -0.32 0.14 112.91 117.51 3k1q h THR 360 Ca 0.17 -0.21 -0.05 0.00 0.77 0.00 0.00 66.41 67.10 3k1q h THR 360 Cb -0.03 0.31 -0.03 0.00 -1.74 0.00 0.00 68.15 66.66 3k1q h THR 360 CO -0.06 0.11 0.18 0.00 0.37 0.00 0.00 175.52 176.12 3k1q h ALA 361 N 1.31 0.78 -0.01 6.16 0.00 -0.86 0.21 119.26 126.85 3k1q h ALA 361 Ca 0.26 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3k1q h ALA 361 Cb 0.16 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 3k1q h ALA 361 CO -0.17 0.46 -0.04 -0.92 0.00 0.00 0.00 179.25 178.58 3k1q h TYR 362 N 0.85 -0.11 -0.88 0.00 3.20 -0.68 -1.48 116.97 117.86 3k1q h TYR 362 Ca 0.19 0.00 0.18 0.00 3.14 0.00 0.00 58.73 62.24 3k1q h TYR 362 Cb 0.30 0.05 -0.17 0.00 1.54 0.00 0.00 36.73 38.45 3k1q h TYR 362 CO 0.02 -0.04 -0.22 0.00 -1.64 0.00 0.00 178.16 176.28 3k1q n ALA 363 N -2.61 0.21 -0.03 1.82 0.00 0.44 -1.07 120.51 119.26 3k1q n ALA 363 Ca -0.00 0.97 -0.07 0.00 0.00 0.00 0.00 53.44 54.33 3k1q n ALA 363 Cb 0.03 -0.58 -0.05 0.00 0.00 0.00 0.00 19.45 18.84 3k1q n ALA 363 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3k1q h LEU 364 N 0.00 -0.91 -0.79 0.00 5.85 -0.53 -1.92 115.31 117.00 3k1q h LEU 364 Ca 0.42 0.11 0.19 0.00 0.84 0.00 0.00 57.88 59.45 3k1q h LEU 364 Cb 0.64 0.36 -0.13 0.00 0.37 0.00 0.00 40.66 41.91 3k1q h LEU 364 CO -0.91 -0.23 0.12 0.71 -0.34 0.00 0.00 178.44 177.79 3k1q h THR 365 N -0.25 0.37 0.81 1.05 1.35 0.01 0.58 112.91 116.83 3k1q h THR 365 Ca 0.03 -0.06 -0.04 0.00 -0.55 0.00 0.00 66.41 65.78 3k1q h THR 365 Cb 0.33 0.18 0.01 0.00 -1.73 0.00 0.00 68.15 66.93 3k1q h THR 365 CO -0.26 0.03 -0.39 0.40 -0.25 0.00 0.00 175.52 175.06 3k1q h ILE 366 N 0.18 0.17 -0.37 6.82 2.04 -1.42 0.22 117.51 125.16 3k1q h ILE 366 Ca 0.46 -0.07 -0.06 0.00 1.00 0.00 0.00 64.86 66.19 3k1q h ILE 366 Cb 0.85 0.19 -0.02 0.00 -0.74 0.00 0.00 36.82 37.09 3k1q h ILE 366 CO -0.62 0.01 -0.02 -0.33 0.00 0.00 0.00 178.15 177.18 3k1q h GLU 367 N -1.14 0.59 -0.07 2.37 5.08 -0.49 -2.57 114.58 118.35 3k1q h GLU 367 Ca -0.11 -0.14 -0.00 0.00 -1.00 0.00 0.00 59.36 58.11 3k1q h GLU 367 Cb 0.84 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 30.01 3k1q h GLU 367 CO 0.18 0.62 0.04 0.00 -1.00 0.00 0.00 179.01 178.86 3k1q h ARG 368 N 0.56 0.10 -0.45 2.33 3.08 0.22 0.19 114.38 120.41 3k1q h ARG 368 Ca 0.11 -0.01 -0.10 0.00 0.07 0.00 0.00 59.98 60.05 3k1q h ARG 368 Cb 0.39 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.40 3k1q h ARG 368 CO 0.02 0.14 -0.13 1.12 -1.07 0.00 0.00 179.97 180.04 3k1q h HIS 369 N 0.04 0.92 0.89 3.04 2.07 -0.85 0.11 115.15 121.36 3k1q h HIS 369 Ca 0.03 -0.18 -0.04 0.00 -2.85 0.00 0.00 60.37 57.32 3k1q h HIS 369 Cb 0.07 -0.23 0.01 0.00 2.57 0.00 0.00 27.41 29.82 3k1q h HIS 369 CO -0.05 0.90 -0.43 -0.07 -3.07 0.00 0.00 177.93 175.22 3k1q h LEU 370 N 0.74 -1.01 -0.42 6.12 3.38 -1.15 0.54 115.31 123.51 3k1q h LEU 370 Ca 0.12 0.03 0.09 0.00 0.09 0.00 0.00 57.88 58.21 3k1q h LEU 370 Cb 0.64 0.26 -0.09 0.00 0.09 0.00 0.00 40.66 41.56 3k1q h LEU 370 CO 0.04 -0.68 -0.20 0.74 0.09 0.00 0.00 178.44 178.43 3k1q h THR 371 N -1.27 0.40 -0.68 0.22 2.02 -0.35 0.36 112.91 113.62 3k1q h THR 371 Ca -0.12 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.00 3k1q h THR 371 Cb 0.92 0.40 -0.03 0.00 -1.74 0.00 0.00 68.15 67.71 3k1q h THR 371 CO 0.20 0.00 0.19 0.00 0.37 0.00 0.00 175.52 176.28 3k1q h ALA 372 N 1.17 0.89 -0.46 6.16 0.00 -0.46 -0.40 119.26 126.16 3k1q h ALA 372 Ca 0.20 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 3k1q h ALA 372 Cb 0.43 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3k1q h ALA 372 CO -0.50 0.59 0.05 1.98 0.00 0.00 0.00 179.25 181.37 3k1q h MET 373 N 1.00 0.78 0.00 0.00 -1.53 0.51 -1.63 114.93 114.06 3k1q h MET 373 Ca 0.22 -0.22 -0.01 0.00 -3.44 0.00 0.00 59.70 56.24 3k1q h MET 373 Cb 0.33 -0.08 -0.00 0.00 -0.55 0.00 0.00 31.60 31.29 3k1q h MET 373 CO -0.00 0.81 -0.05 -0.07 0.14 0.00 0.00 176.91 177.74 3k1q h LEU 374 N 0.64 0.00 -1.22 3.39 4.07 -0.45 -0.28 115.31 121.46 3k1q h LEU 374 Ca 0.14 0.00 -0.08 0.00 0.08 0.00 0.00 57.88 58.02 3k1q h LEU 374 Cb 0.42 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.15 3k1q h LEU 374 CO 0.01 0.05 -0.38 0.58 -1.08 0.00 0.00 178.44 177.63 3k1q h VAL 375 N 0.00 1.16 -0.59 1.22 2.07 -0.31 -3.00 116.25 116.81 3k1q h VAL 375 Ca -0.00 -1.33 0.01 0.00 0.82 0.00 0.00 66.70 66.20 3k1q h VAL 375 Cb 0.28 1.74 -0.03 0.00 -1.52 0.00 0.00 31.29 31.76 3k1q h VAL 375 CO 0.01 0.37 0.39 0.00 0.02 0.00 0.00 177.57 178.35 3k1q h ALA 376 N 1.62 1.61 -0.95 1.67 0.00 -0.14 -3.34 119.26 119.73 3k1q h ALA 376 Ca -0.00 -0.04 0.07 0.00 0.00 0.00 0.00 54.91 54.94 3k1q h ALA 376 Cb 0.71 -0.23 -0.06 0.00 0.00 0.00 0.00 17.79 18.21 3k1q h ALA 376 CO 0.05 0.35 0.61 -0.91 0.00 0.00 0.00 179.25 179.35 3k1q h ASN 377 N 0.77 0.95 0.00 0.00 -0.26 -1.37 -3.36 115.58 112.30 3k1q h ASN 377 Ca 0.22 0.01 0.00 0.00 -0.56 0.00 0.00 56.30 55.97 3k1q h ASN 377 Cb -0.05 -0.19 0.00 0.00 -1.06 0.00 0.00 38.32 37.02 3k1q h ASN 377 CO -0.05 0.60 0.00 -2.65 -1.06 0.00 0.00 177.43 174.26 3k1q n PRO 378 N -4.50 0.00 -1.68 0.81 -0.02 -1.26 -5.00 135.00 123.35 3k1q n PRO 378 Ca 0.15 0.02 0.00 0.00 -2.02 0.00 0.00 63.50 61.64 3k1q n PRO 378 Cb 0.21 -0.05 0.00 0.00 -0.02 0.00 0.00 33.50 33.64 3k1q n PRO 378 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 3k1q n ILE 379 N -0.27 -2.64 0.00 4.25 -6.64 -1.26 -4.48 119.36 108.31 3k1q n ILE 379 Ca 0.00 0.67 0.00 0.00 -1.77 0.00 0.00 62.75 61.65 3k1q n ILE 379 Cb 0.00 -1.59 0.00 0.00 -1.44 0.00 0.00 39.64 36.61 3k1q n ILE 379 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 3k1q n ALA 380 N 1.64 0.00 -1.41 -1.28 0.00 -1.26 -4.94 120.51 113.26 3k1q n ALA 380 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.10 3k1q n ALA 380 Cb 0.00 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.52 3k1q n ALA 380 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3k1q s ALA 381 N 0.00 2.25 -0.49 0.00 0.00 -1.26 -4.91 121.76 117.36 3k1q s ALA 381 Ca 0.00 0.72 0.00 0.00 0.00 0.00 0.00 51.96 52.68 3k1q s ALA 381 Cb 0.00 -3.40 0.00 0.00 0.00 0.00 0.00 23.12 19.72 3k1q s ALA 381 CO 0.00 -1.63 0.55 0.41 0.00 0.00 0.00 175.76 175.09 3k1q n GLY 382 N -0.02 1.28 0.00 0.00 0.00 -1.26 -4.17 105.19 101.02 3k1q n GLY 382 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 3k1q n GLY 382 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3k1q n ARG 383 N 0.39 0.00 -2.85 1.61 3.00 -1.25 -0.92 116.66 116.65 3k1q n ARG 383 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 57.85 57.83 3k1q n ARG 383 Cb 0.28 -0.04 0.00 0.00 0.00 0.00 0.00 32.46 32.70 3k1q n ARG 383 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.63 176.30 3k1q n MET 384 N -0.54 -2.70 -0.18 -0.14 2.81 -1.26 -3.67 117.12 111.44 3k1q n MET 384 Ca 0.00 2.29 -0.03 0.00 -1.81 0.00 0.00 57.70 58.15 3k1q n MET 384 Cb 0.00 -4.41 0.02 0.00 -0.71 0.00 0.00 33.22 28.13 3k1q n MET 384 CO 0.00 0.00 0.00 -0.35 1.51 0.00 0.00 175.97 177.13 3k1q n PRO 385 N 0.73 1.15 -3.64 0.03 -0.04 -1.26 -4.87 135.00 127.10 3k1q n PRO 385 Ca 0.01 -0.37 -0.03 0.00 -0.04 0.00 0.00 63.50 63.08 3k1q n PRO 385 Cb 0.16 -1.14 -0.04 0.00 -0.04 0.00 0.00 33.50 32.43 3k1q n PRO 385 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 3k1q s ILE 386 N -0.41 0.00 0.08 0.52 -5.25 -1.26 -4.46 121.20 110.42 3k1q s ILE 386 Ca 0.07 0.00 -0.31 0.00 -0.99 0.00 0.00 60.65 59.42 3k1q s ILE 386 Cb 0.06 -1.00 -0.06 0.00 2.95 0.00 0.00 42.46 44.40 3k1q s ILE 386 CO 0.01 0.00 1.25 -1.58 -1.79 0.00 0.00 174.94 172.83 3k1q s GLN 387 N -0.91 4.41 0.60 0.37 0.74 -1.26 -4.95 119.66 118.65 3k1q s GLN 387 Ca 0.08 1.86 -0.18 0.00 0.05 0.00 0.00 55.36 57.17 3k1q s GLN 387 Cb -0.01 -3.31 -0.10 0.00 1.10 0.00 0.00 33.01 30.68 3k1q s GLN 387 CO -0.08 -0.29 0.26 -2.30 -0.55 0.00 0.00 175.29 172.33 3k1q n PRO 388 N 3.83 0.29 -4.01 1.67 -0.02 -1.26 -4.98 135.00 130.52 3k1q n PRO 388 Ca 0.09 0.12 -0.36 0.00 -2.02 0.00 0.00 63.50 61.33 3k1q n PRO 388 Cb 0.45 -1.48 -0.07 0.00 -0.02 0.00 0.00 33.50 32.39 3k1q n PRO 388 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 3k1q s PHE 389 N -1.85 3.47 -0.02 6.00 5.36 -1.26 -4.84 117.98 124.84 3k1q s PHE 389 Ca 0.63 0.42 0.02 0.00 -0.96 0.00 0.00 56.93 57.04 3k1q s PHE 389 Cb -0.43 -1.91 0.00 0.00 -0.34 0.00 0.00 43.02 40.34 3k1q s PHE 389 CO 0.60 0.64 -0.06 1.21 -1.46 0.00 0.00 175.22 176.15 3k1q s ASN 390 N -0.91 0.78 0.37 6.13 3.84 -1.26 -5.04 114.94 118.85 3k1q s ASN 390 Ca 0.14 -0.11 0.10 0.00 0.21 0.00 0.00 52.86 53.20 3k1q s ASN 390 Cb -0.12 -0.19 0.86 0.00 -0.55 0.00 0.00 41.25 41.26 3k1q s ASN 390 CO 0.03 0.04 1.88 0.00 -2.79 0.00 0.00 177.10 176.26 3k1q h ALA 391 N 6.36 1.88 -0.87 1.71 0.00 -2.03 -0.86 119.26 125.45 3k1q h ALA 391 Ca -0.32 0.01 0.09 0.00 0.00 0.00 0.00 54.91 54.69 3k1q h ALA 391 Cb 1.18 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.79 3k1q h ALA 391 CO 0.49 -0.12 0.57 0.00 0.00 0.00 0.00 179.25 180.19 3k1q h ALA 392 N 1.61 1.63 0.00 0.00 0.00 -2.00 -2.57 119.26 117.92 3k1q h ALA 392 Ca 0.43 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.33 3k1q h ALA 392 Cb 0.75 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3k1q h ALA 392 CO -0.19 0.20 0.00 -0.44 0.00 0.00 0.00 179.25 178.82 3k1q h ASP 393 N 0.89 0.00 0.68 0.00 3.45 -1.45 -1.74 116.42 118.25 3k1q h ASP 393 Ca 0.40 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.86 3k1q h ASP 393 Cb 0.36 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.13 3k1q h ASP 393 CO -0.16 0.00 -0.03 0.49 -1.57 0.00 0.00 179.24 177.96 3k1q n PHE 394 N -3.04 0.00 -1.24 4.55 3.72 -0.97 -4.60 117.46 115.89 3k1q n PHE 394 Ca -0.03 0.00 -0.36 0.00 -0.05 0.00 0.00 57.45 57.01 3k1q n PHE 394 Cb 0.09 -0.34 0.06 0.00 -0.94 0.00 0.00 39.48 38.35 3k1q n PHE 394 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3k1q n GLY 395 N 1.36 -1.95 0.36 1.37 0.00 -0.66 -4.98 105.19 100.70 3k1q n GLY 395 Ca 0.12 -0.39 0.03 0.00 0.00 0.00 0.00 46.02 45.78 3k1q n GLY 395 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3k1q n GLN 396 N -0.26 2.43 -0.19 1.61 1.13 -1.26 -4.81 117.38 116.03 3k1q n GLN 396 Ca 0.09 -1.67 -0.09 0.00 -1.94 0.00 0.00 57.00 53.39 3k1q n GLN 396 Cb 0.50 -1.15 0.01 0.00 0.11 0.00 0.00 30.24 29.71 3k1q n GLN 396 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3k1q h ALA 397 N 1.20 0.73 0.00 -1.58 0.00 -1.96 -3.44 119.26 114.22 3k1q h ALA 397 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3k1q h ALA 397 Cb 0.58 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3k1q h ALA 397 CO 0.00 0.52 0.38 0.41 0.00 0.00 0.00 179.25 180.56 3k1q n GLY 398 N -0.46 0.00 2.63 0.00 0.00 -1.26 -2.24 105.19 103.87 3k1q n GLY 398 Ca 0.02 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.84 3k1q n GLY 398 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3k1q n GLN 399 N 2.50 -2.73 0.04 1.61 1.13 -1.26 -3.13 117.38 115.53 3k1q n GLN 399 Ca 0.00 0.86 -0.02 0.00 -1.94 0.00 0.00 57.00 55.90 3k1q n GLN 399 Cb 0.19 -5.57 -0.01 0.00 0.11 0.00 0.00 30.24 24.96 3k1q n GLN 399 CO 0.00 0.00 0.00 1.79 -1.44 0.00 0.00 177.06 177.41 3k1q h THR 400 N -0.42 0.00 -0.67 5.09 1.35 -1.65 0.15 112.91 116.76 3k1q h THR 400 Ca -0.46 0.00 0.19 0.00 -0.55 0.00 0.00 66.41 65.59 3k1q h THR 400 Cb 1.33 0.00 -0.12 0.00 -1.73 0.00 0.00 68.15 67.63 3k1q h THR 400 CO 0.53 0.00 0.04 0.00 -0.25 0.00 0.00 175.52 175.84 3k1q n ALA 401 N -2.27 0.37 -0.15 6.62 0.00 -1.26 -1.07 120.51 122.75 3k1q n ALA 401 Ca -0.01 0.71 -0.09 0.00 0.00 0.00 0.00 53.44 54.05 3k1q n ALA 401 Cb 0.05 -0.54 -0.00 0.00 0.00 0.00 0.00 19.45 18.97 3k1q n ALA 401 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3k1q h ALA 402 N 1.33 0.58 -0.54 0.00 0.00 -1.60 -1.69 119.26 117.34 3k1q h ALA 402 Ca 0.42 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 3k1q h ALA 402 Cb 0.89 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 3k1q h ALA 402 CO -0.62 0.23 0.26 0.00 0.00 0.00 0.00 179.25 179.12 3k1q h ALA 403 N 0.99 0.70 0.16 0.00 0.00 0.65 -0.20 119.26 121.56 3k1q h ALA 403 Ca 0.14 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.94 3k1q h ALA 403 Cb 0.26 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 3k1q h ALA 403 CO -0.00 0.26 -0.26 0.28 0.00 0.00 0.00 179.25 179.53 3k1q h VAL 404 N 0.72 0.44 -0.97 0.00 2.07 -1.17 -1.40 116.25 115.94 3k1q h VAL 404 Ca 0.18 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.86 3k1q h VAL 404 Cb 0.13 0.44 -0.09 0.00 -1.52 0.00 0.00 31.29 30.25 3k1q h VAL 404 CO -0.02 0.00 0.61 0.00 0.02 0.00 0.00 177.57 178.18 3k1q h ALA 405 N 0.22 1.70 0.21 1.67 0.00 -0.49 -0.47 119.26 122.10 3k1q h ALA 405 Ca 0.02 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3k1q h ALA 405 Cb 0.50 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3k1q h ALA 405 CO -0.12 0.01 -0.10 1.25 0.00 0.00 0.00 179.25 180.29 3k1q h LEU 406 N 0.80 -0.24 -0.74 0.00 5.85 -0.67 0.30 115.31 120.61 3k1q h LEU 406 Ca 0.51 -0.09 0.02 0.00 0.84 0.00 0.00 57.88 59.16 3k1q h LEU 406 Cb 0.73 0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.78 3k1q h LEU 406 CO -0.28 -0.06 0.48 0.00 -0.34 0.00 0.00 178.44 178.24 3k1q h ALA 407 N 0.36 0.96 -0.41 1.25 0.00 -0.15 -1.86 119.26 119.40 3k1q h ALA 407 Ca -0.03 -0.04 0.09 0.00 0.00 0.00 0.00 54.91 54.93 3k1q h ALA 407 Cb 0.31 -0.26 -0.09 0.00 0.00 0.00 0.00 17.79 17.75 3k1q h ALA 407 CO 0.05 0.30 -0.19 1.96 0.00 0.00 0.00 179.25 181.37 3k1q h GLN 408 N 0.95 -0.10 -0.82 0.00 4.20 -0.69 -0.91 115.11 117.74 3k1q h GLN 408 Ca 0.29 0.01 0.17 0.00 0.06 0.00 0.00 58.65 59.17 3k1q h GLN 408 Cb -0.03 0.02 -0.15 0.00 0.30 0.00 0.00 27.48 27.61 3k1q h GLN 408 CO -0.09 -0.07 -0.19 0.00 -0.67 0.00 0.00 178.83 177.82 3k1q h ALA 409 N 1.20 0.57 -0.99 3.87 0.00 -0.53 -3.13 119.26 120.24 3k1q h ALA 409 Ca 0.20 0.32 0.27 0.00 0.00 0.00 0.00 54.91 55.70 3k1q h ALA 409 Cb 0.42 0.61 -0.13 0.00 0.00 0.00 0.00 17.79 18.68 3k1q h ALA 409 CO -0.48 -0.41 0.57 0.52 0.00 0.00 0.00 179.25 179.45 3k1q h MET 410 N 0.01 0.47 -0.83 0.00 2.86 -0.34 -2.66 114.93 114.43 3k1q h MET 410 Ca 0.40 -0.03 0.16 0.00 -2.06 0.00 0.00 59.70 58.17 3k1q h MET 410 Cb 0.62 -0.11 -0.06 0.00 0.06 0.00 0.00 31.60 32.11 3k1q h MET 410 CO -0.83 0.31 0.55 0.35 1.06 0.00 0.00 176.91 178.34 3k1q h PHE 411 N 0.48 0.62 -0.00 -0.22 3.57 -1.55 -3.45 116.94 116.38 3k1q h PHE 411 Ca 0.67 0.02 0.00 0.00 3.53 0.00 0.00 57.97 62.19 3k1q h PHE 411 Cb 1.36 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 39.91 3k1q h PHE 411 CO -0.02 0.22 0.00 1.55 -2.23 0.00 0.00 178.31 177.83