#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kqj s ASP 2 N 0.00 5.43 0.13 6.12 1.11 -1.26 -3.66 116.67 124.55 3kqj s ASP 2 Ca 0.00 2.37 -0.03 0.00 0.18 0.00 0.00 52.55 55.07 3kqj s ASP 2 Cb 0.00 -2.60 -0.03 0.00 1.07 0.00 0.00 42.92 41.36 3kqj s ASP 2 CO 0.00 -1.43 0.12 -0.54 1.18 0.00 0.00 175.17 174.50 3kqj s LYS 3 N -3.19 0.97 -0.16 8.23 1.02 -0.63 -3.06 119.74 122.92 3kqj s LYS 3 Ca 0.74 -1.34 -0.03 0.00 0.02 0.00 0.00 55.97 55.36 3kqj s LYS 3 Cb -0.30 0.28 -0.02 0.00 -0.52 0.00 0.00 37.83 37.27 3kqj s LYS 3 CO 0.33 -0.30 -0.07 -0.06 -0.92 0.00 0.00 175.35 174.34 3kqj s PHE 4 N -4.01 2.94 -0.24 3.18 2.99 -0.62 -0.54 117.98 121.67 3kqj s PHE 4 Ca 0.21 -0.54 -0.07 0.00 0.00 0.00 0.00 56.93 56.53 3kqj s PHE 4 Cb 0.06 -1.95 -0.03 0.00 0.00 0.00 0.00 43.02 41.10 3kqj s PHE 4 CO 0.00 -0.19 0.07 0.50 -0.00 0.00 0.00 175.22 175.60 3kqj s ARG 5 N 0.58 3.71 -0.06 0.44 3.52 0.47 -0.81 118.95 126.79 3kqj s ARG 5 Ca -0.05 -0.45 0.05 0.00 -0.13 0.00 0.00 55.73 55.15 3kqj s ARG 5 Cb -0.15 -3.31 -0.01 0.00 -1.56 0.00 0.00 34.95 29.92 3kqj s ARG 5 CO 0.03 -0.11 -0.23 0.08 -0.81 0.00 0.00 175.30 174.25 3kqj s VAL 6 N 1.41 1.93 -0.20 7.11 1.01 0.73 -1.02 120.40 131.37 3kqj s VAL 6 Ca 0.05 -0.99 -0.04 0.00 0.00 0.00 0.00 61.98 61.00 3kqj s VAL 6 Cb -0.15 -1.64 -0.02 0.00 0.00 0.00 0.00 36.38 34.58 3kqj s VAL 6 CO 0.04 0.54 -0.03 -1.10 0.00 0.00 0.00 175.10 174.55 3kqj s GLN 7 N -0.06 3.50 0.42 2.72 -1.52 -0.33 -0.82 119.66 123.57 3kqj s GLN 7 Ca -0.06 -0.58 0.03 0.00 -1.95 0.00 0.00 55.36 52.81 3kqj s GLN 7 Cb -0.14 -3.01 -0.03 0.00 -0.22 0.00 0.00 33.01 29.60 3kqj s GLN 7 CO 0.04 -0.05 0.08 0.20 -0.25 0.00 0.00 175.29 175.31 3kqj s GLY 8 N 1.13 2.60 0.25 3.09 0.00 0.10 -4.25 107.32 110.24 3kqj s GLY 8 Ca 0.02 -1.26 -0.16 0.00 0.00 0.00 0.00 44.72 43.32 3kqj s GLY 8 CO 0.00 -1.92 0.69 2.56 0.00 0.00 0.00 173.10 174.43 3kqj s PRO 9 N -3.78 4.09 -0.01 2.90 0.04 -0.71 -1.47 135.00 136.05 3kqj s PRO 9 Ca 0.23 0.70 0.01 0.00 0.04 0.00 0.00 61.00 61.98 3kqj s PRO 9 Cb 0.04 -2.71 0.00 0.00 0.04 0.00 0.00 34.50 31.87 3kqj s PRO 9 CO 0.12 0.32 -0.05 0.95 0.04 0.00 0.00 177.00 178.38 3kqj s THR 10 N -1.70 0.40 -0.26 1.26 -4.23 0.40 -4.99 115.64 106.52 3kqj s THR 10 Ca 0.46 -0.17 -0.24 0.00 -1.18 0.00 0.00 61.69 60.56 3kqj s THR 10 Cb -0.14 -0.37 -0.00 0.00 1.34 0.00 0.00 72.50 73.33 3kqj s THR 10 CO 0.19 0.13 0.82 -0.75 -0.54 0.00 0.00 174.62 174.48 3kqj s LYS 11 N 0.15 4.12 -0.25 3.99 2.20 -1.26 -4.46 119.74 124.22 3kqj s LYS 11 Ca -0.01 0.84 -0.23 0.00 -0.36 0.00 0.00 55.97 56.21 3kqj s LYS 11 Cb -0.05 -3.67 -0.01 0.00 -1.51 0.00 0.00 37.83 32.59 3kqj s LYS 11 CO -0.00 -0.56 0.74 -0.51 -0.36 0.00 0.00 175.35 174.65 3kqj s LEU 12 N 2.88 4.07 0.06 5.43 1.43 -1.26 -4.65 118.68 126.64 3kqj s LEU 12 Ca 0.34 0.86 -0.22 0.00 -1.03 0.00 0.00 54.13 54.07 3kqj s LEU 12 Cb -0.15 -3.03 0.05 0.00 0.03 0.00 0.00 46.19 43.09 3kqj s LEU 12 CO 0.09 -0.46 0.53 0.00 0.23 0.00 0.00 176.35 176.73 3kqj s GLN 13 N 2.71 1.06 0.00 1.70 -2.07 -0.36 -4.26 119.66 118.43 3kqj s GLN 13 Ca 0.31 -0.25 0.00 0.00 -1.82 0.00 0.00 55.36 53.59 3kqj s GLN 13 Cb -0.15 0.48 0.00 0.00 -1.09 0.00 0.00 33.01 32.25 3kqj s GLN 13 CO 0.08 -0.39 0.00 0.41 -1.32 0.00 0.00 175.29 174.07 3kqj n GLY 14 N 0.34 0.40 3.11 2.60 0.00 -0.40 -4.41 105.19 106.83 3kqj n GLY 14 Ca -0.18 -1.25 -0.09 0.00 0.00 0.00 0.00 46.02 44.49 3kqj n GLY 14 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kqj s GLU 15 N -0.42 0.66 -0.04 1.61 2.02 -1.26 -1.50 118.70 119.77 3kqj s GLU 15 Ca 0.00 -1.14 -0.11 0.00 0.02 0.00 0.00 54.97 53.74 3kqj s GLU 15 Cb 0.00 -0.04 0.02 0.00 0.10 0.00 0.00 34.13 34.21 3kqj s GLU 15 CO 0.00 -0.04 0.25 0.54 0.02 0.00 0.00 175.26 176.03 3kqj s VAL 16 N -3.21 0.04 -0.24 2.63 0.11 -0.69 -4.79 120.40 114.26 3kqj s VAL 16 Ca 0.04 -0.35 -0.05 0.00 -2.93 0.00 0.00 61.98 58.69 3kqj s VAL 16 Cb 0.03 -0.48 -0.01 0.00 -1.53 0.00 0.00 36.38 34.38 3kqj s VAL 16 CO -0.06 -0.19 0.01 -0.89 -3.33 0.00 0.00 175.10 170.64 3kqj s THR 17 N -0.80 3.76 0.17 5.04 2.01 -1.26 -0.42 115.64 124.14 3kqj s THR 17 Ca -0.09 -0.41 -0.30 0.00 0.31 0.00 0.00 61.69 61.20 3kqj s THR 17 Cb -0.05 -2.76 -0.08 0.00 0.01 0.00 0.00 72.50 69.63 3kqj s THR 17 CO 0.02 0.35 1.25 -0.63 -0.69 0.00 0.00 174.62 174.93 3kqj s ILE 18 N 1.53 3.46 0.70 1.82 -1.09 0.03 -4.94 121.20 122.71 3kqj s ILE 18 Ca 0.06 1.18 -0.05 0.00 -2.23 0.00 0.00 60.65 59.61 3kqj s ILE 18 Cb -0.15 -3.76 0.08 0.00 -1.58 0.00 0.00 42.46 37.05 3kqj s ILE 18 CO -0.00 0.17 0.99 -0.44 -1.23 0.00 0.00 174.94 174.43 3kqj s SER 19 N 0.38 4.70 0.65 3.58 0.01 -1.26 -4.77 113.70 117.00 3kqj s SER 19 Ca 0.56 0.25 -0.17 0.00 1.31 0.00 0.00 55.95 57.89 3kqj s SER 19 Cb -0.34 -0.85 -0.01 0.00 0.21 0.00 0.00 66.02 65.03 3kqj s SER 19 CO 0.36 -1.64 1.25 -0.83 0.41 0.00 0.00 173.24 172.79 3kqj s GLY 20 N -4.56 2.70 0.03 3.44 0.00 -1.22 -1.09 107.32 106.62 3kqj s GLY 20 Ca 0.62 1.08 -0.30 0.00 0.00 0.00 0.00 44.72 46.11 3kqj s GLY 20 CO 0.44 1.49 1.71 0.00 0.00 0.00 0.00 173.10 176.75 3kqj s ALA 21 N -1.59 3.65 0.19 3.20 0.00 0.53 -4.28 121.76 123.45 3kqj s ALA 21 Ca 0.79 1.15 -0.14 0.00 0.00 0.00 0.00 51.96 53.77 3kqj s ALA 21 Cb -0.34 -3.74 0.18 0.00 0.00 0.00 0.00 23.12 19.23 3kqj s ALA 21 CO 0.39 -1.28 1.68 -0.22 0.00 0.00 0.00 175.76 176.33 3kqj h LYS 22 N 9.11 0.10 -0.03 0.00 3.64 -1.90 0.71 116.57 128.20 3kqj h LYS 22 Ca -0.43 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.95 3kqj h LYS 22 Cb 1.20 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.00 3kqj h LYS 22 CO 0.94 0.07 0.00 0.09 -2.27 0.00 0.00 179.45 178.27 3kqj n ASN 23 N -5.24 0.24 -0.07 4.20 3.02 -1.26 -1.74 115.26 114.41 3kqj n ASN 23 Ca 0.05 -1.54 -0.10 0.00 -0.03 0.00 0.00 54.58 52.96 3kqj n ASN 23 Cb 0.27 -0.02 -0.06 0.00 -0.61 0.00 0.00 39.78 39.36 3kqj n ASN 23 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3kqj n ALA 24 N -0.59 1.77 -0.24 5.41 0.00 -0.85 -4.37 120.51 121.64 3kqj n ALA 24 Ca 0.13 -0.57 -0.03 0.00 0.00 0.00 0.00 53.44 52.96 3kqj n ALA 24 Cb 0.09 0.21 0.08 0.00 0.00 0.00 0.00 19.45 19.83 3kqj n ALA 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kqj h ALA 25 N -0.08 0.90 0.17 0.00 0.00 -0.78 -1.97 119.26 117.51 3kqj h ALA 25 Ca -0.31 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 3kqj h ALA 25 Cb 1.44 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3kqj h ALA 25 CO -0.07 0.19 -0.08 -0.07 0.00 0.00 0.00 179.25 179.21 3kqj h LEU 26 N 0.83 -0.19 -1.45 0.00 3.38 -1.56 0.21 115.31 116.53 3kqj h LEU 26 Ca 0.28 -0.16 -0.05 0.00 0.09 0.00 0.00 57.88 58.05 3kqj h LEU 26 Cb 0.04 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 3kqj h LEU 26 CO -0.12 0.05 -0.14 1.55 0.09 0.00 0.00 178.44 179.87 3kqj h PRO 27 N -0.43 0.18 -0.59 1.13 0.13 -1.74 -2.35 132.00 128.33 3kqj h PRO 27 Ca -0.02 -0.04 -0.08 0.00 -0.87 0.00 0.00 66.00 64.99 3kqj h PRO 27 Cb 0.33 -0.03 -0.02 0.00 0.13 0.00 0.00 31.00 31.41 3kqj h PRO 27 CO 0.04 0.33 0.07 0.82 -0.23 0.00 0.00 178.00 179.03 3kqj h ILE 28 N 0.17 1.26 -0.68 -3.56 2.04 -1.12 0.72 117.51 116.33 3kqj h ILE 28 Ca 0.04 -1.04 -0.01 0.00 1.00 0.00 0.00 64.86 64.85 3kqj h ILE 28 Cb 0.37 0.78 -0.03 0.00 -0.74 0.00 0.00 36.82 37.19 3kqj h ILE 28 CO 0.02 0.38 0.40 -0.07 0.00 0.00 0.00 178.15 178.88 3kqj h LEU 29 N 0.90 0.83 -0.56 1.44 3.38 -0.44 -1.59 115.31 119.27 3kqj h LEU 29 Ca 0.18 -0.08 -0.16 0.00 0.09 0.00 0.00 57.88 57.91 3kqj h LEU 29 Cb 0.46 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 3kqj h LEU 29 CO 0.02 0.66 -0.68 -0.26 0.09 0.00 0.00 178.44 178.27 3kqj h PHE 30 N 0.93 0.27 0.00 1.13 -1.00 -1.28 -2.60 116.94 114.39 3kqj h PHE 30 Ca 0.24 -0.12 -0.02 0.00 2.81 0.00 0.00 57.97 60.89 3kqj h PHE 30 Cb -0.00 -0.04 -0.00 0.00 3.61 0.00 0.00 35.95 39.51 3kqj h PHE 30 CO -0.01 0.82 -0.09 0.00 -1.61 0.00 0.00 178.31 177.42 3kqj h ALA 31 N 1.15 1.45 0.00 2.45 0.00 -0.37 -1.46 119.26 122.47 3kqj h ALA 31 Ca -0.02 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3kqj h ALA 31 Cb 1.22 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3kqj h ALA 31 CO 0.10 0.11 0.00 0.00 0.00 0.00 0.00 179.25 179.46 3kqj h ALA 32 N 1.91 1.00 0.00 0.00 0.00 -0.89 -0.61 119.26 120.68 3kqj h ALA 32 Ca -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 3kqj h ALA 32 Cb 0.21 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 3kqj h ALA 32 CO 0.01 0.00 -0.02 -0.07 0.00 0.00 0.00 179.25 179.18 3kqj h LEU 33 N 0.00 0.00 0.00 0.00 3.38 -1.40 -1.48 115.31 115.81 3kqj h LEU 33 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3kqj h LEU 33 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 3kqj h LEU 33 CO 0.00 0.02 -0.18 -0.07 0.09 0.00 0.00 178.44 178.30 3kqj h LEU 34 N 0.00 0.00 -9.32 1.67 3.38 -1.30 -3.46 115.31 106.28 3kqj h LEU 34 Ca -0.00 -0.03 -0.55 0.00 0.09 0.00 0.00 57.88 57.39 3kqj h LEU 34 Cb 0.26 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 3kqj h LEU 34 CO 0.00 0.01 0.66 0.00 0.09 0.00 0.00 178.44 179.21 3kqj s ALA 35 N -3.18 3.47 -0.86 1.53 0.00 -0.56 -4.16 121.76 118.00 3kqj s ALA 35 Ca 0.08 0.59 0.16 0.00 0.00 0.00 0.00 51.96 52.79 3kqj s ALA 35 Cb 0.09 -3.50 0.73 0.00 0.00 0.00 0.00 23.12 20.45 3kqj s ALA 35 CO 0.66 -0.71 1.64 0.39 0.00 0.00 0.00 175.76 177.74 3kqj n GLU 36 N 5.07 4.04 -3.99 0.00 1.02 -0.46 -4.11 120.64 122.21 3kqj n GLU 36 Ca 0.10 -2.86 -0.08 0.00 -0.02 0.00 0.00 57.16 54.30 3kqj n GLU 36 Cb 0.47 -2.01 -0.09 0.00 -0.02 0.00 0.00 31.44 29.79 3kqj n GLU 36 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 3kqj s GLU 37 N -2.13 0.64 0.71 3.49 0.41 -1.23 -4.77 118.70 115.81 3kqj s GLU 37 Ca 0.51 -1.01 -0.16 0.00 -0.41 0.00 0.00 54.97 53.90 3kqj s GLU 37 Cb 0.35 0.24 0.03 0.00 -1.78 0.00 0.00 34.13 32.96 3kqj s GLU 37 CO 0.21 -0.15 1.24 -2.14 -0.49 0.00 0.00 175.26 173.93 3kqj s PRO 38 N -3.43 2.21 0.03 0.39 0.02 -1.26 -4.28 135.00 128.69 3kqj s PRO 38 Ca 0.02 1.88 0.03 0.00 0.02 0.00 0.00 61.00 62.96 3kqj s PRO 38 Cb 0.04 -1.83 -0.02 0.00 0.02 0.00 0.00 34.50 32.71 3kqj s PRO 38 CO -0.08 -1.81 -0.10 0.14 -0.33 0.00 0.00 177.00 174.81 3kqj s VAL 39 N -1.78 0.80 -0.17 3.83 -7.23 -0.14 -2.85 120.40 112.85 3kqj s VAL 39 Ca 0.77 -0.90 0.00 0.00 -1.81 0.00 0.00 61.98 60.05 3kqj s VAL 39 Cb -0.32 -0.76 0.01 0.00 0.56 0.00 0.00 36.38 35.86 3kqj s VAL 39 CO 0.44 -0.11 -0.17 -0.70 -0.31 0.00 0.00 175.10 174.25 3kqj s GLU 40 N -1.13 3.10 -0.24 4.82 2.12 -0.45 -1.73 118.70 125.19 3kqj s GLU 40 Ca -0.02 -0.79 -0.05 0.00 0.36 0.00 0.00 54.97 54.47 3kqj s GLU 40 Cb -0.08 -2.63 -0.01 0.00 0.26 0.00 0.00 34.13 31.68 3kqj s GLU 40 CO 0.01 -0.13 0.01 0.42 -0.54 0.00 0.00 175.26 175.02 3kqj s ILE 41 N 1.15 3.71 0.22 -3.70 -1.09 0.88 -1.54 121.20 120.82 3kqj s ILE 41 Ca 0.01 -0.47 0.03 0.00 -2.23 0.00 0.00 60.65 58.00 3kqj s ILE 41 Cb -0.14 -2.76 -0.03 0.00 -1.58 0.00 0.00 42.46 37.95 3kqj s ILE 41 CO -0.07 0.33 0.35 -1.10 -1.23 0.00 0.00 174.94 173.22 3kqj s GLN 42 N 1.51 3.45 -1.35 2.79 -0.21 0.11 -0.47 119.66 125.49 3kqj s GLN 42 Ca 0.05 -0.64 -0.09 0.00 0.02 0.00 0.00 55.36 54.70 3kqj s GLN 42 Cb -0.15 -2.89 0.01 0.00 1.00 0.00 0.00 33.01 30.97 3kqj s GLN 42 CO -0.00 0.44 1.16 -1.71 -2.12 0.00 0.00 175.29 173.06 3kqj n ASN 43 N -1.10 -6.36 -4.66 5.90 5.15 -1.26 -1.13 115.26 111.79 3kqj n ASN 43 Ca -0.08 -0.53 -0.40 0.00 -0.60 0.00 0.00 54.58 52.97 3kqj n ASN 43 Cb 0.56 -4.99 -0.06 0.00 -0.53 0.00 0.00 39.78 34.76 3kqj n ASN 43 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3kqj s VAL 44 N -3.31 5.02 0.65 3.44 1.01 -1.26 -3.41 120.40 122.53 3kqj s VAL 44 Ca 0.58 1.20 -0.17 0.00 0.00 0.00 0.00 61.98 63.59 3kqj s VAL 44 Cb -0.25 -3.95 -0.01 0.00 0.00 0.00 0.00 36.38 32.17 3kqj s VAL 44 CO 0.71 0.11 1.19 -2.16 0.00 0.00 0.00 175.10 174.95 3kqj s PRO 45 N 1.89 2.68 -0.90 2.72 0.04 -1.26 -4.87 135.00 135.30 3kqj s PRO 45 Ca 0.29 1.73 -0.17 0.00 0.04 0.00 0.00 61.00 62.88 3kqj s PRO 45 Cb -0.16 -1.90 0.16 0.00 0.04 0.00 0.00 34.50 32.64 3kqj s PRO 45 CO 0.11 -1.41 1.02 0.15 0.04 0.00 0.00 177.00 176.91 3kqj s LYS 46 N -3.65 3.61 0.20 4.56 1.02 -1.26 -4.85 119.74 119.37 3kqj s LYS 46 Ca 0.75 -1.98 0.09 0.00 0.02 0.00 0.00 55.97 54.84 3kqj s LYS 46 Cb -0.28 -4.77 -0.04 0.00 -0.52 0.00 0.00 37.83 32.21 3kqj s LYS 46 CO 0.38 -1.63 -0.18 -0.51 -0.92 0.00 0.00 175.35 172.49 3kqj s LEU 47 N 1.91 2.49 0.21 3.17 1.43 -1.26 -4.51 118.68 122.12 3kqj s LEU 47 Ca 0.28 -0.93 -0.10 0.00 -1.03 0.00 0.00 54.13 52.35 3kqj s LEU 47 Cb -0.06 -0.87 0.19 0.00 0.03 0.00 0.00 46.19 45.47 3kqj s LEU 47 CO -0.09 -0.04 1.85 0.50 0.23 0.00 0.00 176.35 178.79 3kqj h LYS 48 N 2.91 0.83 -0.37 1.70 1.63 -1.34 -1.86 116.57 120.07 3kqj h LYS 48 Ca -0.41 -0.05 -0.03 0.00 -0.85 0.00 0.00 60.65 59.31 3kqj h LYS 48 Cb 1.22 -0.19 -0.02 0.00 -0.60 0.00 0.00 32.23 32.64 3kqj h LYS 48 CO 0.55 0.55 0.11 -0.44 -3.45 0.00 0.00 179.45 176.76 3kqj h ASP 49 N 0.85 0.49 -0.34 4.20 5.19 -1.80 0.19 116.42 125.19 3kqj h ASP 49 Ca 0.28 -0.06 -0.09 0.00 -0.62 0.00 0.00 57.03 56.54 3kqj h ASP 49 Cb 0.02 -0.12 -0.01 0.00 0.18 0.00 0.00 39.33 39.40 3kqj h ASP 49 CO -0.11 0.48 -0.13 0.58 -3.12 0.00 0.00 179.24 176.93 3kqj h VAL 50 N 0.53 1.29 -0.50 -1.35 2.07 -1.70 -0.45 116.25 116.14 3kqj h VAL 50 Ca 0.13 -1.23 -0.00 0.00 0.82 0.00 0.00 66.70 66.41 3kqj h VAL 50 Cb 0.17 1.38 -0.02 0.00 -1.52 0.00 0.00 31.29 31.29 3kqj h VAL 50 CO -0.01 0.40 0.30 0.44 0.02 0.00 0.00 177.57 178.72 3kqj h ASP 51 N 0.46 0.60 -0.65 0.57 3.32 -0.70 0.03 116.42 120.04 3kqj h ASP 51 Ca 0.08 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.07 3kqj h ASP 51 Cb 0.66 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 40.02 3kqj h ASP 51 CO 0.04 0.48 0.42 0.74 -1.72 0.00 0.00 179.24 179.21 3kqj h THR 52 N 0.67 1.18 -0.68 0.35 2.02 -0.87 -1.13 112.91 114.44 3kqj h THR 52 Ca 0.18 -0.34 -0.04 0.00 0.77 0.00 0.00 66.41 66.98 3kqj h THR 52 Cb -0.00 0.24 -0.03 0.00 -1.74 0.00 0.00 68.15 66.61 3kqj h THR 52 CO -0.03 0.17 0.28 0.28 0.37 0.00 0.00 175.52 176.59 3kqj h SER 53 N 0.88 0.94 -0.61 4.18 0.02 -0.66 0.39 113.55 118.70 3kqj h SER 53 Ca 0.24 -0.16 -0.03 0.00 -0.84 0.00 0.00 61.79 60.99 3kqj h SER 53 Cb -0.08 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.19 3kqj h SER 53 CO -0.05 0.84 0.25 0.24 -1.14 0.00 0.00 176.83 176.98 3kqj h MET 54 N 0.97 0.90 -0.60 3.45 2.07 -0.54 -0.14 114.93 121.05 3kqj h MET 54 Ca 0.23 -0.16 -0.08 0.00 -2.07 0.00 0.00 59.70 57.62 3kqj h MET 54 Cb 0.19 -0.15 -0.02 0.00 -1.87 0.00 0.00 31.60 29.75 3kqj h MET 54 CO -0.02 0.76 0.05 0.87 1.07 0.00 0.00 176.91 179.64 3kqj h LYS 55 N 0.84 1.02 0.04 1.72 1.57 -0.88 -0.78 116.57 120.10 3kqj h LYS 55 Ca 0.20 -0.28 -0.00 0.00 -1.87 0.00 0.00 60.65 58.70 3kqj h LYS 55 Cb 0.19 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.39 3kqj h LYS 55 CO -0.02 0.96 -0.02 1.25 -0.57 0.00 0.00 179.45 181.06 3kqj h LEU 56 N 0.94 -0.04 -0.84 2.94 6.46 -0.50 -0.17 115.31 124.11 3kqj h LEU 56 Ca 0.18 -0.10 0.06 0.00 -0.12 0.00 0.00 57.88 57.90 3kqj h LEU 56 Cb 0.47 0.01 -0.06 0.00 -0.73 0.00 0.00 40.66 40.36 3kqj h LEU 56 CO 0.02 0.07 0.52 -0.07 -0.62 0.00 0.00 178.44 178.36 3kqj h LEU 57 N -0.15 0.83 -0.75 2.25 3.38 -0.87 -1.77 115.31 118.23 3kqj h LEU 57 Ca -0.01 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 3kqj h LEU 57 Cb 0.14 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 3kqj h LEU 57 CO 0.01 0.54 0.38 -1.28 0.09 0.00 0.00 178.44 178.18 3kqj h SER 58 N 0.96 0.96 0.83 -0.43 0.87 -0.79 -1.72 113.55 114.23 3kqj h SER 58 Ca 0.36 -0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.80 3kqj h SER 58 Cb 0.14 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 61.85 3kqj h SER 58 CO -0.16 0.80 0.00 1.56 -0.53 0.00 0.00 176.83 178.50 3kqj h GLN 59 N 1.04 0.00 -0.00 2.24 4.20 -0.23 -0.58 115.11 121.78 3kqj h GLN 59 Ca 0.26 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.97 3kqj h GLN 59 Cb 0.08 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.86 3kqj h GLN 59 CO -0.04 0.00 -0.23 1.28 -0.67 0.00 0.00 178.83 179.17 3kqj n LEU 60 N -2.45 0.45 0.00 1.46 4.77 -0.72 -4.79 117.00 115.71 3kqj n LEU 60 Ca 0.02 0.08 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 3kqj n LEU 60 Cb 0.26 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 3kqj n LEU 60 CO 0.22 0.09 0.00 0.61 -1.33 0.00 0.00 177.39 176.98 3kqj n GLY 61 N 1.41 0.88 3.87 -0.72 0.00 -0.22 -1.60 105.19 108.81 3kqj n GLY 61 Ca 0.10 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 3kqj n GLY 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kqj s ALA 62 N -2.00 3.23 -0.24 4.61 0.00 -0.75 -3.92 121.76 122.69 3kqj s ALA 62 Ca 0.00 -0.09 -0.16 0.00 0.00 0.00 0.00 51.96 51.71 3kqj s ALA 62 Cb 0.00 -2.88 -0.04 0.00 0.00 0.00 0.00 23.12 20.21 3kqj s ALA 62 CO 0.00 -0.20 0.40 0.15 0.00 0.00 0.00 175.76 176.10 3kqj s LYS 63 N -4.18 4.10 0.02 0.00 -0.14 -0.10 -4.16 119.74 115.27 3kqj s LYS 63 Ca 0.54 0.15 0.04 0.00 -1.36 0.00 0.00 55.97 55.33 3kqj s LYS 63 Cb -0.10 -3.60 -0.01 0.00 -1.68 0.00 0.00 37.83 32.44 3kqj s LYS 63 CO 0.36 -0.17 -0.11 0.08 -0.76 0.00 0.00 175.35 174.75 3kqj s VAL 64 N 1.73 0.85 0.14 3.17 1.01 -1.26 -0.88 120.40 125.17 3kqj s VAL 64 Ca 0.17 -0.70 -0.24 0.00 0.00 0.00 0.00 61.98 61.21 3kqj s VAL 64 Cb -0.15 -0.76 0.07 0.00 0.00 0.00 0.00 36.38 35.53 3kqj s VAL 64 CO 0.09 0.07 0.76 -1.83 0.00 0.00 0.00 175.10 174.18 3kqj s GLU 65 N -0.71 1.26 -0.22 2.72 -1.05 -0.69 -5.01 118.70 115.00 3kqj s GLU 65 Ca 0.01 -0.57 -0.15 0.00 -0.15 0.00 0.00 54.97 54.11 3kqj s GLU 65 Cb -0.06 0.51 0.06 0.00 -0.44 0.00 0.00 34.13 34.21 3kqj s GLU 65 CO 0.00 -0.57 0.56 -0.98 0.95 0.00 0.00 175.26 175.23 3kqj s ARG 66 N -3.55 0.59 0.38 -4.83 1.70 -1.26 -0.05 118.95 111.92 3kqj s ARG 66 Ca 0.06 0.93 0.00 0.00 -0.47 0.00 0.00 55.73 56.25 3kqj s ARG 66 Cb -0.02 0.16 0.00 0.00 -0.57 0.00 0.00 34.95 34.51 3kqj s ARG 66 CO -0.05 -0.13 0.00 -0.25 -1.08 0.00 0.00 175.30 173.79 3kqj n ASP 67 N 3.73 -5.17 0.00 -2.89 9.92 -1.26 -4.96 116.55 115.92 3kqj n ASP 67 Ca -0.19 0.87 0.00 0.00 -0.53 0.00 0.00 54.79 54.95 3kqj n ASP 67 Cb 0.57 -3.15 0.00 0.00 -0.64 0.00 0.00 41.12 37.90 3kqj n ASP 67 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3kqj n GLY 68 N -3.55 0.00 3.93 0.44 0.00 -1.26 -5.18 105.19 99.57 3kqj n GLY 68 Ca -0.05 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.69 3kqj n GLY 68 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3kqj s SER 69 N 0.00 6.38 -0.14 1.61 0.01 -1.26 -4.18 113.70 116.12 3kqj s SER 69 Ca 0.00 0.33 -0.08 0.00 1.31 0.00 0.00 55.95 57.51 3kqj s SER 69 Cb 0.00 -1.98 -0.04 0.00 0.21 0.00 0.00 66.02 64.21 3kqj s SER 69 CO 0.00 0.02 0.13 -0.69 0.41 0.00 0.00 173.24 173.11 3kqj s VAL 70 N -1.77 5.46 -0.10 3.43 1.01 0.38 -4.36 120.40 124.45 3kqj s VAL 70 Ca 0.37 0.20 0.03 0.00 0.00 0.00 0.00 61.98 62.58 3kqj s VAL 70 Cb -0.11 -3.41 -0.01 0.00 0.00 0.00 0.00 36.38 32.85 3kqj s VAL 70 CO 0.28 0.57 -0.21 -1.00 0.00 0.00 0.00 175.10 174.74 3kqj s HIS 71 N -0.63 2.61 -0.04 5.22 3.76 0.92 -0.09 115.29 127.04 3kqj s HIS 71 Ca 0.13 -0.90 0.03 0.00 -0.15 0.00 0.00 55.06 54.17 3kqj s HIS 71 Cb -0.12 -1.73 0.01 0.00 1.11 0.00 0.00 32.58 31.86 3kqj s HIS 71 CO 0.02 -0.33 -0.11 0.42 -0.85 0.00 0.00 174.74 173.89 3kqj s ILE 72 N 0.26 0.97 -0.34 0.60 -1.09 -0.70 -1.70 121.20 119.20 3kqj s ILE 72 Ca -0.15 -0.43 0.01 0.00 -2.23 0.00 0.00 60.65 57.85 3kqj s ILE 72 Cb -0.17 -0.88 0.11 0.00 -1.58 0.00 0.00 42.46 39.94 3kqj s ILE 72 CO 0.07 0.30 0.11 -0.62 -1.23 0.00 0.00 174.94 173.58 3kqj s ASP 73 N 0.40 4.10 -0.05 3.58 3.68 -0.06 -0.97 116.67 127.35 3kqj s ASP 73 Ca -0.08 -1.90 0.17 0.00 2.13 0.00 0.00 52.55 52.87 3kqj s ASP 73 Cb -0.12 -1.03 0.59 0.00 -1.45 0.00 0.00 42.92 40.90 3kqj s ASP 73 CO 0.02 -0.38 1.48 0.00 0.13 0.00 0.00 175.17 176.41 3kqj n ALA 74 N 4.52 2.73 -0.22 3.66 0.00 -1.26 -0.92 120.51 129.02 3kqj n ALA 74 Ca 0.01 -1.22 0.02 0.00 0.00 0.00 0.00 53.44 52.24 3kqj n ALA 74 Cb 0.41 -0.99 0.13 0.00 0.00 0.00 0.00 19.45 19.00 3kqj n ALA 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kqj h ARG 75 N 3.56 0.34 -0.90 0.00 3.08 -1.86 -2.73 114.38 115.87 3kqj h ARG 75 Ca 0.00 -0.02 -0.41 0.00 0.07 0.00 0.00 59.98 59.62 3kqj h ARG 75 Cb 1.07 -0.08 -0.24 0.00 0.08 0.00 0.00 29.97 30.80 3kqj h ARG 75 CO 0.11 0.23 0.51 -0.25 -1.07 0.00 0.00 179.97 179.49 3kqj n ASP 76 N -5.05 4.13 -4.66 7.04 8.00 -1.26 -4.98 116.55 119.77 3kqj n ASP 76 Ca 0.10 -3.48 -0.46 0.00 0.71 0.00 0.00 54.79 51.66 3kqj n ASP 76 Cb 0.33 -0.80 -0.04 0.00 -0.02 0.00 0.00 41.12 40.59 3kqj n ASP 76 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 3kqj n VAL 77 N -0.79 0.25 -0.98 2.53 0.31 -1.03 -4.77 118.33 113.84 3kqj n VAL 77 Ca 0.53 -0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.80 3kqj n VAL 77 Cb 1.57 -1.42 0.00 0.00 -0.91 0.00 0.00 33.84 33.08 3kqj n VAL 77 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 3kqj n ASN 78 N 2.97 0.04 -4.18 4.52 6.94 -0.63 -4.99 115.26 119.94 3kqj n ASN 78 Ca 0.16 -1.02 -0.29 0.00 -0.02 0.00 0.00 54.58 53.41 3kqj n ASN 78 Cb 0.28 0.00 -0.16 0.00 -2.36 0.00 0.00 39.78 37.54 3kqj n ASN 78 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 3kqj s VAL 79 N -0.02 1.71 -0.33 3.53 1.01 -0.64 -5.02 120.40 120.64 3kqj s VAL 79 Ca 0.00 -0.85 0.04 0.00 0.00 0.00 0.00 61.98 61.16 3kqj s VAL 79 Cb 0.00 -1.47 0.11 0.00 0.00 0.00 0.00 36.38 35.01 3kqj s VAL 79 CO 0.00 0.48 1.09 0.49 0.00 0.00 0.00 175.10 177.16 3kqj n PHE 80 N 3.26 0.16 -3.91 5.22 3.72 -1.26 -4.70 117.46 119.96 3kqj n PHE 80 Ca -0.19 -0.50 -0.35 0.00 -0.05 0.00 0.00 57.45 56.37 3kqj n PHE 80 Cb 0.52 -0.04 -0.14 0.00 -0.94 0.00 0.00 39.48 38.88 3kqj n PHE 80 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3kqj s ALA 82 N 1.38 3.48 0.14 0.00 0.00 0.02 -4.93 121.76 121.85 3kqj s ALA 82 Ca 0.01 1.02 -0.31 0.00 0.00 0.00 0.00 51.96 52.68 3kqj s ALA 82 Cb -0.16 -3.45 -0.10 0.00 0.00 0.00 0.00 23.12 19.41 3kqj s ALA 82 CO -0.03 -0.45 1.56 -1.25 0.00 0.00 0.00 175.76 175.59 3kqj s PRO 83 N -0.14 4.22 0.21 0.00 0.04 -1.26 -4.66 135.00 133.42 3kqj s PRO 83 Ca 0.55 2.32 -0.11 0.00 0.04 0.00 0.00 61.00 63.79 3kqj s PRO 83 Cb -0.34 -3.23 0.28 0.00 0.04 0.00 0.00 34.50 31.24 3kqj s PRO 83 CO 0.37 -0.61 1.65 -0.92 0.04 0.00 0.00 177.00 177.54 3kqj h TYR 84 N 7.03 -0.12 -0.38 0.56 3.20 -1.99 -1.42 116.97 123.86 3kqj h TYR 84 Ca -0.42 0.05 0.03 0.00 3.14 0.00 0.00 58.73 61.52 3kqj h TYR 84 Cb 1.20 0.15 -0.02 0.00 1.54 0.00 0.00 36.73 39.60 3kqj h TYR 84 CO 0.67 -0.19 0.26 0.38 -1.64 0.00 0.00 178.16 177.63 3kqj h ASP 85 N 0.08 0.35 0.49 -2.11 2.03 -2.00 -1.32 116.42 113.94 3kqj h ASP 85 Ca 0.32 -0.00 -0.30 0.00 -0.73 0.00 0.00 57.03 56.31 3kqj h ASP 85 Cb 0.51 -0.08 -0.02 0.00 -0.83 0.00 0.00 39.33 38.91 3kqj h ASP 85 CO -0.56 0.24 -1.53 -0.07 -1.03 0.00 0.00 179.24 176.29 3kqj h LEU 86 N 0.40 0.29 -0.44 0.15 3.38 -1.78 -3.36 115.31 113.96 3kqj h LEU 86 Ca 0.15 -0.42 -0.07 0.00 0.09 0.00 0.00 57.88 57.63 3kqj h LEU 86 Cb 0.12 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 3kqj h LEU 86 CO -0.04 1.36 -0.02 0.58 0.09 0.00 0.00 178.44 180.41 3kqj h VAL 87 N 0.05 1.26 0.00 1.22 2.07 -0.80 -3.22 116.25 116.83 3kqj h VAL 87 Ca -0.24 -1.06 0.00 0.00 0.82 0.00 0.00 66.70 66.22 3kqj h VAL 87 Cb 1.99 1.09 0.00 0.00 -1.52 0.00 0.00 31.29 32.85 3kqj h VAL 87 CO 0.14 0.36 0.00 0.29 0.02 0.00 0.00 177.57 178.38 3kqj n LYS 88 N -4.38 0.14 0.00 1.57 4.76 -0.54 -3.23 118.16 116.47 3kqj n LYS 88 Ca -0.00 0.12 0.13 0.00 -2.87 0.00 0.00 58.31 55.68 3kqj n LYS 88 Cb 0.31 -1.50 0.30 0.00 -1.84 0.00 0.00 35.03 32.30 3kqj n LYS 88 CO 0.00 0.00 0.00 -2.37 -1.37 0.00 0.00 177.40 173.66 3kqj n THR 89 N -1.41 0.00 -3.78 -0.18 5.66 -1.22 -3.79 114.28 109.56 3kqj n THR 89 Ca 0.07 -0.24 -0.09 0.00 -3.05 0.00 0.00 64.05 60.75 3kqj n THR 89 Cb 0.21 0.75 -0.04 0.00 -1.55 0.00 0.00 70.33 69.71 3kqj n THR 89 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3kqj s MET 90 N -2.31 1.47 0.07 1.09 0.23 -1.23 -4.13 119.30 114.50 3kqj s MET 90 Ca 0.27 -0.93 -0.11 0.00 -1.03 0.00 0.00 55.69 53.89 3kqj s MET 90 Cb 0.20 0.53 -0.26 0.00 -1.53 0.00 0.00 34.83 33.76 3kqj s MET 90 CO 0.46 -0.63 1.13 -0.09 -2.03 0.00 0.00 175.02 173.86 3kqj h ARG 91 N 2.16 0.51 -0.31 3.16 9.65 -1.79 -0.51 114.38 127.26 3kqj h ARG 91 Ca -0.27 -0.71 0.09 0.00 -1.10 0.00 0.00 59.98 57.99 3kqj h ARG 91 Cb 1.26 0.24 -0.01 0.00 -1.39 0.00 0.00 29.97 30.07 3kqj h ARG 91 CO 0.35 1.31 0.39 0.00 2.80 0.00 0.00 179.97 184.82 3kqj h ALA 92 N 0.41 1.93 -0.29 2.80 0.00 -1.92 -2.57 119.26 119.62 3kqj h ALA 92 Ca -0.17 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 54.81 3kqj h ALA 92 Cb 1.90 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.70 3kqj h ALA 92 CO 0.22 -0.55 0.26 0.66 0.00 0.00 0.00 179.25 179.85 3kqj h SER 93 N 0.00 0.00 -0.06 0.00 4.64 -1.83 -0.61 113.55 115.68 3kqj h SER 93 Ca 0.15 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 61.48 3kqj h SER 93 Cb 0.93 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.01 3kqj h SER 93 CO -0.00 0.00 0.07 -0.29 -0.87 0.00 0.00 176.83 175.74 3kqj h ILE 94 N 0.00 0.47 0.00 0.95 6.09 -1.76 -1.11 117.51 122.14 3kqj h ILE 94 Ca 0.14 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.63 3kqj h ILE 94 Cb 0.66 0.94 0.00 0.00 0.47 0.00 0.00 36.82 38.89 3kqj h ILE 94 CO -0.00 0.00 0.00 0.79 -3.07 0.00 0.00 178.15 175.87 3kqj n TRP 95 N -3.77 0.00 0.19 2.19 8.01 -0.24 -2.23 117.44 121.59 3kqj n TRP 95 Ca -0.01 0.00 0.08 0.00 -1.31 0.00 0.00 57.50 56.25 3kqj n TRP 95 Cb 0.17 -0.23 0.20 0.00 -2.01 0.00 0.00 31.31 29.44 3kqj n TRP 95 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 3kqj h ALA 96 N 2.97 0.87 0.30 6.99 0.00 -1.39 -3.37 119.26 125.63 3kqj h ALA 96 Ca 0.00 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 3kqj h ALA 96 Cb 0.14 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3kqj h ALA 96 CO 0.00 0.32 -0.14 1.25 0.00 0.00 0.00 179.25 180.67 3kqj h LEU 97 N 0.00 -0.34 0.04 0.00 5.85 -1.64 -2.86 115.31 116.36 3kqj h LEU 97 Ca -0.00 -0.12 0.01 0.00 0.84 0.00 0.00 57.88 58.61 3kqj h LEU 97 Cb 1.08 0.09 -0.02 0.00 0.37 0.00 0.00 40.66 42.18 3kqj h LEU 97 CO 0.03 -0.08 -0.09 1.23 -0.34 0.00 0.00 178.44 179.19 3kqj h GLY 98 N -0.60 -0.14 1.08 3.75 0.00 -1.77 -1.78 103.07 103.60 3kqj h GLY 98 Ca -0.04 0.11 0.01 0.00 0.00 0.00 0.00 47.33 47.40 3kqj h GLY 98 CO 0.07 -0.10 0.61 -2.55 0.00 0.00 0.00 176.54 174.57 3kqj h PRO 99 N -0.18 1.24 -0.28 4.80 0.11 -1.74 0.60 132.00 136.54 3kqj h PRO 99 Ca 0.02 -0.08 -0.02 0.00 0.11 0.00 0.00 66.00 66.03 3kqj h PRO 99 Cb 0.21 -0.28 -0.01 0.00 0.11 0.00 0.00 31.00 31.03 3kqj h PRO 99 CO -0.07 0.83 0.10 -0.07 -0.21 0.00 0.00 178.00 178.58 3kqj h LEU 100 N 1.27 0.40 -0.56 2.35 3.38 -1.25 -0.45 115.31 120.46 3kqj h LEU 100 Ca 0.34 -0.19 -0.15 0.00 0.09 0.00 0.00 57.88 57.97 3kqj h LEU 100 Cb -0.13 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 3kqj h LEU 100 CO -0.07 0.48 -0.49 1.62 0.09 0.00 0.00 178.44 180.07 3kqj h VAL 101 N 0.30 1.31 -0.43 1.22 3.04 -1.02 0.16 116.25 120.83 3kqj h VAL 101 Ca 0.09 -1.70 -0.11 0.00 -1.01 0.00 0.00 66.70 63.98 3kqj h VAL 101 Cb 0.21 1.66 -0.02 0.00 -2.01 0.00 0.00 31.29 31.14 3kqj h VAL 101 CO -0.01 0.53 -0.16 0.00 -1.01 0.00 0.00 177.57 176.93 3kqj h ALA 102 N 0.99 0.91 0.01 3.17 0.00 -0.70 -0.90 119.26 122.74 3kqj h ALA 102 Ca 0.02 -0.35 -0.35 0.00 0.00 0.00 0.00 54.91 54.23 3kqj h ALA 102 Cb 1.02 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 18.58 3kqj h ALA 102 CO 0.09 0.62 -2.20 -2.13 0.00 0.00 0.00 179.25 175.64 3kqj n ARG 103 N -4.14 0.68 0.00 0.00 0.63 -0.19 -4.61 116.66 109.02 3kqj n ARG 103 Ca 0.01 0.13 0.04 0.00 -0.92 0.00 0.00 57.85 57.11 3kqj n ARG 103 Cb 0.40 -1.61 -0.00 0.00 0.45 0.00 0.00 32.46 31.70 3kqj n ARG 103 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 3kqj n PHE 104 N -3.01 0.00 -0.91 -0.14 3.01 0.54 -5.00 117.46 111.95 3kqj n PHE 104 Ca -0.32 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.14 3kqj n PHE 104 Cb 1.09 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.56 3kqj n PHE 104 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3kqj n GLY 105 N 0.83 0.83 3.54 1.37 0.00 -0.34 -4.97 105.19 106.44 3kqj n GLY 105 Ca 0.03 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.92 3kqj n GLY 105 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3kqj s GLN 106 N -0.09 0.83 -0.21 1.61 -2.07 -1.23 -1.27 119.66 117.22 3kqj s GLN 106 Ca 0.00 0.12 -0.27 0.00 -1.82 0.00 0.00 55.36 53.39 3kqj s GLN 106 Cb 0.00 0.39 0.10 0.00 -1.09 0.00 0.00 33.01 32.41 3kqj s GLN 106 CO 0.00 -0.27 0.88 0.20 -1.32 0.00 0.00 175.29 174.78 3kqj s GLY 107 N -1.35 -0.35 -0.05 2.60 0.00 -0.54 -3.53 107.32 104.11 3kqj s GLY 107 Ca -0.05 2.12 0.00 0.00 0.00 0.00 0.00 44.72 46.79 3kqj s GLY 107 CO 0.03 1.46 -0.01 1.20 0.00 0.00 0.00 173.10 175.78 3kqj s GLN 108 N -0.31 0.59 -0.02 2.90 1.11 -0.14 -0.59 119.66 123.19 3kqj s GLN 108 Ca -0.01 0.02 -0.01 0.00 0.01 0.00 0.00 55.36 55.37 3kqj s GLN 108 Cb -0.03 -0.77 0.01 0.00 -1.01 0.00 0.00 33.01 31.21 3kqj s GLN 108 CO 0.00 -0.17 0.06 0.08 0.01 0.00 0.00 175.29 175.27 3kqj s VAL 109 N 1.31 -0.02 0.79 1.09 1.01 -0.58 -0.80 120.40 123.20 3kqj s VAL 109 Ca -0.05 0.07 -0.11 0.00 0.00 0.00 0.00 61.98 61.89 3kqj s VAL 109 Cb -0.13 -0.10 0.06 0.00 0.00 0.00 0.00 36.38 36.21 3kqj s VAL 109 CO -0.02 0.03 1.09 -0.44 0.00 0.00 0.00 175.10 175.75 3kqj s SER 110 N 0.39 4.48 0.38 3.32 0.01 -1.26 0.48 113.70 121.50 3kqj s SER 110 Ca -0.03 1.57 -0.27 0.00 1.31 0.00 0.00 55.95 58.53 3kqj s SER 110 Cb -0.04 -2.32 -0.11 0.00 0.21 0.00 0.00 66.02 63.76 3kqj s SER 110 CO -0.01 -2.01 1.35 0.18 0.41 0.00 0.00 173.24 173.15 3kqj n LEU 111 N -3.49 4.13 -4.69 2.44 4.77 -0.30 -4.77 117.00 115.08 3kqj n LEU 111 Ca 0.08 1.18 -0.29 0.00 -0.03 0.00 0.00 56.01 56.95 3kqj n LEU 111 Cb 0.54 -1.53 0.17 0.00 -2.33 0.00 0.00 43.42 40.27 3kqj n LEU 111 CO 0.55 -0.33 0.65 -2.16 -1.33 0.00 0.00 177.39 174.77 3kqj s PRO 112 N -2.07 0.46 0.00 3.23 0.04 -1.26 -4.61 135.00 130.78 3kqj s PRO 112 Ca 0.57 0.44 0.00 0.00 0.04 0.00 0.00 61.00 62.05 3kqj s PRO 112 Cb -0.52 -1.75 0.00 0.00 0.04 0.00 0.00 34.50 32.28 3kqj s PRO 112 CO 0.61 -2.70 0.00 0.41 0.04 0.00 0.00 177.00 175.37 3kqj n GLY 113 N -1.28 3.41 0.00 0.56 0.00 -0.20 -4.92 105.19 102.77 3kqj n GLY 113 Ca 0.05 -1.73 0.00 0.00 0.00 0.00 0.00 46.02 44.35 3kqj n GLY 113 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kqj n GLY 114 N 5.00 -2.00 3.68 -0.02 0.00 -1.25 -2.61 105.19 107.99 3kqj n GLY 114 Ca 0.00 -2.16 -0.44 0.00 0.00 0.00 0.00 46.02 43.42 3kqj n GLY 114 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kqj n THR 116 N 2.06 3.11 0.68 0.00 -2.24 -1.26 -4.52 114.28 112.11 3kqj n THR 116 Ca 0.12 -2.37 0.04 0.00 -2.27 0.00 0.00 64.05 59.56 3kqj n THR 116 Cb 0.32 -1.61 0.15 0.00 -2.10 0.00 0.00 70.33 67.09 3kqj n THR 116 CO 0.00 0.00 0.00 2.30 -0.57 0.00 0.00 175.07 176.80 3kqj n ILE 117 N 1.08 0.72 0.00 2.28 -5.35 -1.26 -4.89 119.36 111.94 3kqj n ILE 117 Ca 0.42 -0.48 0.00 0.00 -0.27 0.00 0.00 62.75 62.42 3kqj n ILE 117 Cb 0.62 -0.05 0.00 0.00 -1.74 0.00 0.00 39.64 38.47 3kqj n ILE 117 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3kqj n GLY 118 N 0.68 -0.43 0.18 3.28 0.00 -1.26 -1.02 105.19 106.61 3kqj n GLY 118 Ca 0.11 -1.07 0.01 0.00 0.00 0.00 0.00 46.02 45.06 3kqj n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kqj h ALA 119 N 0.00 1.23 -6.40 4.61 0.00 -1.96 -3.48 119.26 113.27 3kqj h ALA 119 Ca 0.00 -0.40 -0.44 0.00 0.00 0.00 0.00 54.91 54.07 3kqj h ALA 119 Cb 0.00 -0.08 0.04 0.00 0.00 0.00 0.00 17.79 17.76 3kqj h ALA 119 CO 0.00 0.56 -0.90 0.54 0.00 0.00 0.00 179.25 179.45 3kqj n ARG 120 N -4.02 -1.06 -1.10 0.00 1.74 -1.26 -4.96 116.66 106.00 3kqj n ARG 120 Ca -0.02 0.52 -0.29 0.00 -0.77 0.00 0.00 57.85 57.29 3kqj n ARG 120 Cb 0.47 -3.59 0.21 0.00 -1.02 0.00 0.00 32.46 28.53 3kqj n ARG 120 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3kqj s PRO 121 N -5.84 -0.45 -0.10 5.56 0.04 -1.26 -4.99 135.00 127.97 3kqj s PRO 121 Ca 0.35 0.25 0.14 0.00 0.04 0.00 0.00 61.00 61.78 3kqj s PRO 121 Cb -0.15 -1.66 0.28 0.00 0.04 0.00 0.00 34.50 33.02 3kqj s PRO 121 CO 0.88 -3.26 1.14 1.33 0.04 0.00 0.00 177.00 177.13 3kqj n VAL 122 N -4.50 1.27 -0.14 -0.36 0.24 -1.26 -4.84 118.33 108.74 3kqj n VAL 122 Ca 0.09 -1.83 0.12 0.00 -2.04 0.00 0.00 64.34 60.68 3kqj n VAL 122 Cb 0.58 0.11 0.47 0.00 -1.47 0.00 0.00 33.84 33.53 3kqj n VAL 122 CO 0.00 0.00 0.00 -2.24 -2.14 0.00 0.00 176.83 172.45 3kqj h ASP 123 N 0.41 0.45 0.57 -1.34 2.03 -1.99 -1.20 116.42 115.35 3kqj h ASP 123 Ca -0.04 0.02 -0.12 0.00 -0.73 0.00 0.00 57.03 56.16 3kqj h ASP 123 Cb 1.22 -0.08 -0.02 0.00 -0.83 0.00 0.00 39.33 39.63 3kqj h ASP 123 CO 0.02 0.25 -0.58 -0.07 -1.03 0.00 0.00 179.24 177.83 3kqj h LEU 124 N 0.49 0.02 -0.16 0.15 3.38 -1.98 0.11 115.31 117.31 3kqj h LEU 124 Ca 0.33 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.24 3kqj h LEU 124 Cb 0.63 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.37 3kqj h LEU 124 CO -0.11 0.60 -0.11 0.45 0.09 0.00 0.00 178.44 179.36 3kqj h HIS 125 N 0.01 0.43 -0.02 1.13 3.86 -1.57 -1.41 115.15 117.57 3kqj h HIS 125 Ca -0.01 -0.12 -0.00 0.00 -1.16 0.00 0.00 60.37 59.09 3kqj h HIS 125 Cb 1.03 -0.09 -0.00 0.00 1.06 0.00 0.00 27.41 29.41 3kqj h HIS 125 CO 0.00 0.71 0.01 0.82 0.86 0.00 0.00 177.93 180.33 3kqj h ILE 126 N 0.02 1.06 -0.93 2.45 2.04 -1.25 -1.46 117.51 119.44 3kqj h ILE 126 Ca 0.03 -0.16 -0.00 0.00 1.00 0.00 0.00 64.86 65.73 3kqj h ILE 126 Cb 0.61 1.13 -0.05 0.00 -0.74 0.00 0.00 36.82 37.78 3kqj h ILE 126 CO 0.03 0.04 0.57 -1.28 0.00 0.00 0.00 178.15 177.51 3kqj h SER 127 N -0.03 1.12 -0.36 1.72 0.87 -0.80 -0.35 113.55 115.71 3kqj h SER 127 Ca 0.01 -0.07 -0.03 0.00 -1.23 0.00 0.00 61.79 60.48 3kqj h SER 127 Cb 0.06 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 61.72 3kqj h SER 127 CO -0.00 0.85 0.12 1.23 -0.53 0.00 0.00 176.83 178.51 3kqj h GLY 128 N 1.28 0.59 1.45 5.77 0.00 -1.06 -0.48 103.07 110.63 3kqj h GLY 128 Ca 0.34 -0.34 -0.09 0.00 0.00 0.00 0.00 47.33 47.23 3kqj h GLY 128 CO -0.06 0.32 -0.17 1.41 0.00 0.00 0.00 176.54 178.03 3kqj h LEU 129 N 0.43 0.64 -0.82 3.11 3.38 -0.94 -2.27 115.31 118.84 3kqj h LEU 129 Ca 0.12 -0.20 -0.06 0.00 0.09 0.00 0.00 57.88 57.82 3kqj h LEU 129 Cb 0.23 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 3kqj h LEU 129 CO -0.01 0.82 0.17 -0.33 0.09 0.00 0.00 178.44 179.19 3kqj h GLU 130 N 0.58 1.05 0.00 1.13 5.08 -0.85 -0.95 114.58 120.62 3kqj h GLU 130 Ca 0.09 -0.24 -0.02 0.00 -1.00 0.00 0.00 59.36 58.19 3kqj h GLU 130 Cb 0.62 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.72 3kqj h GLU 130 CO 0.04 0.93 -0.12 1.96 -1.00 0.00 0.00 179.01 180.82 3kqj h GLN 131 N 1.00 0.00 -0.01 2.33 4.20 -0.55 -0.92 115.11 121.16 3kqj h GLN 131 Ca 0.21 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.92 3kqj h GLN 131 Cb 0.34 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.12 3kqj h GLN 131 CO -0.00 0.12 -0.02 1.28 -0.67 0.00 0.00 178.83 179.54 3kqj n LEU 132 N -3.41 0.93 0.00 1.46 4.77 -0.81 -4.67 117.00 115.27 3kqj n LEU 132 Ca -0.01 -0.29 0.00 0.00 -0.03 0.00 0.00 56.01 55.68 3kqj n LEU 132 Cb 0.29 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.36 3kqj n LEU 132 CO 0.29 0.16 0.00 0.61 -1.33 0.00 0.00 177.39 177.12 3kqj n GLY 133 N 1.14 0.78 3.80 -0.72 0.00 -0.35 -0.32 105.19 109.52 3kqj n GLY 133 Ca 0.20 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.88 3kqj n GLY 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kqj s ALA 134 N -2.00 3.00 -0.18 4.61 0.00 -0.43 -4.81 121.76 121.95 3kqj s ALA 134 Ca 0.00 0.53 -0.08 0.00 0.00 0.00 0.00 51.96 52.41 3kqj s ALA 134 Cb 0.00 -3.21 -0.04 0.00 0.00 0.00 0.00 23.12 19.87 3kqj s ALA 134 CO 0.00 -0.08 0.07 0.99 0.00 0.00 0.00 175.76 176.75 3kqj s THR 135 N -1.99 4.91 -0.04 0.00 2.01 0.78 -4.12 115.64 117.19 3kqj s THR 135 Ca 0.62 0.01 0.03 0.00 0.31 0.00 0.00 61.69 62.67 3kqj s THR 135 Cb -0.14 -3.21 0.00 0.00 0.01 0.00 0.00 72.50 69.15 3kqj s THR 135 CO 0.18 0.46 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.80 3kqj s ILE 136 N 0.34 1.23 -0.01 1.82 1.01 -1.26 -1.14 121.20 123.19 3kqj s ILE 136 Ca 0.04 -0.59 0.04 0.00 0.00 0.00 0.00 60.65 60.14 3kqj s ILE 136 Cb -0.12 -1.08 -0.01 0.00 0.01 0.00 0.00 42.46 41.26 3kqj s ILE 136 CO -0.00 0.37 -0.13 -1.59 0.00 0.00 0.00 174.94 173.58 3kqj s LYS 137 N 0.20 1.08 -0.27 2.79 -2.85 -0.28 -4.98 119.74 115.43 3kqj s LYS 137 Ca -0.06 -0.50 -0.07 0.00 -1.00 0.00 0.00 55.97 54.34 3kqj s LYS 137 Cb -0.12 -1.04 -0.01 0.00 -2.06 0.00 0.00 37.83 34.60 3kqj s LYS 137 CO 0.02 0.28 0.08 -0.51 0.10 0.00 0.00 175.35 175.33 3kqj s LEU 138 N -0.38 3.64 -0.13 2.77 2.01 -1.26 -0.86 118.68 124.46 3kqj s LEU 138 Ca 0.05 -0.43 -0.06 0.00 0.01 0.00 0.00 54.13 53.70 3kqj s LEU 138 Cb -0.05 -1.91 0.06 0.00 0.01 0.00 0.00 46.19 44.30 3kqj s LEU 138 CO -0.00 -0.11 0.30 -1.83 1.01 0.00 0.00 176.35 175.71 3kqj s GLU 139 N 1.57 0.23 -1.40 1.70 -1.05 -0.78 -4.91 118.70 114.07 3kqj s GLU 139 Ca 0.05 0.69 -0.07 0.00 -0.15 0.00 0.00 54.97 55.49 3kqj s GLU 139 Cb -0.16 -0.03 0.04 0.00 -0.44 0.00 0.00 34.13 33.53 3kqj s GLU 139 CO 0.03 -0.21 0.91 0.39 0.95 0.00 0.00 175.26 177.34 3kqj n GLU 140 N 4.71 -5.79 -0.64 -4.83 1.02 -1.26 -2.12 120.64 111.74 3kqj n GLU 140 Ca -0.17 0.66 0.00 0.00 -0.02 0.00 0.00 57.16 57.63 3kqj n GLU 140 Cb 0.52 -5.47 0.00 0.00 -0.02 0.00 0.00 31.44 26.47 3kqj n GLU 140 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3kqj n GLY 141 N -1.65 1.31 3.77 0.62 0.00 -1.26 -5.01 105.19 102.98 3kqj n GLY 141 Ca -0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.54 3kqj n GLY 141 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kqj s TYR 142 N -3.22 3.41 -0.31 1.61 1.51 -0.90 -1.15 117.35 118.30 3kqj s TYR 142 Ca 0.00 0.34 -0.14 0.00 -1.01 0.00 0.00 57.07 56.26 3kqj s TYR 142 Cb 0.00 -1.94 -0.03 0.00 -0.11 0.00 0.00 41.96 39.88 3kqj s TYR 142 CO 0.00 0.53 0.34 0.08 -1.11 0.00 0.00 175.55 175.39 3kqj s VAL 143 N -0.63 5.19 -0.23 0.71 1.01 0.18 -1.86 120.40 124.77 3kqj s VAL 143 Ca 0.12 0.27 -0.03 0.00 0.00 0.00 0.00 61.98 62.34 3kqj s VAL 143 Cb -0.12 -3.73 0.00 0.00 0.00 0.00 0.00 36.38 32.53 3kqj s VAL 143 CO 0.02 0.05 -0.05 -0.54 0.00 0.00 0.00 175.10 174.58 3kqj s LYS 144 N 2.01 3.19 0.10 2.72 1.02 -0.04 -1.53 119.74 127.21 3kqj s LYS 144 Ca 0.12 -0.74 0.08 0.00 0.02 0.00 0.00 55.97 55.45 3kqj s LYS 144 Cb -0.16 -2.99 -0.04 0.00 -0.52 0.00 0.00 37.83 34.12 3kqj s LYS 144 CO 0.11 -0.26 -0.17 0.00 -0.92 0.00 0.00 175.35 174.10 3kqj s ALA 145 N 1.43 2.69 0.08 5.17 0.00 0.24 -1.12 121.76 130.24 3kqj s ALA 145 Ca 0.04 -1.31 -0.23 0.00 0.00 0.00 0.00 51.96 50.46 3kqj s ALA 145 Cb -0.15 -0.69 0.06 0.00 0.00 0.00 0.00 23.12 22.34 3kqj s ALA 145 CO -0.04 0.59 0.56 -1.54 0.00 0.00 0.00 175.76 175.33 3kqj s SER 146 N -2.00 -0.49 -0.20 0.00 1.04 -0.29 -1.47 113.70 110.28 3kqj s SER 146 Ca 0.18 0.15 -0.19 0.00 0.48 0.00 0.00 55.95 56.57 3kqj s SER 146 Cb -0.11 0.53 0.05 0.00 0.10 0.00 0.00 66.02 66.60 3kqj s SER 146 CO 0.09 -0.80 0.54 0.54 0.98 0.00 0.00 173.24 174.60 3kqj s VAL 147 N -2.80 0.00 -0.50 5.02 0.11 -0.40 -0.15 120.40 121.67 3kqj s VAL 147 Ca -0.03 -0.01 -0.20 0.00 -2.93 0.00 0.00 61.98 58.80 3kqj s VAL 147 Cb -0.00 -0.76 0.05 0.00 -1.53 0.00 0.00 36.38 34.14 3kqj s VAL 147 CO -0.05 -0.01 0.69 -0.62 -3.33 0.00 0.00 175.10 171.79 3kqj s ASP 148 N 0.22 6.27 0.00 3.54 2.15 -1.26 -4.64 116.67 122.94 3kqj s ASP 148 Ca -0.01 -0.68 0.00 0.00 0.43 0.00 0.00 52.55 52.29 3kqj s ASP 148 Cb -0.04 -2.33 0.00 0.00 -0.30 0.00 0.00 42.92 40.26 3kqj s ASP 148 CO 0.01 -0.94 0.00 0.61 -0.17 0.00 0.00 175.17 174.68 3kqj n GLY 149 N 5.13 -1.71 3.83 2.66 0.00 -1.26 -4.96 105.19 108.88 3kqj n GLY 149 Ca -0.04 -1.67 -0.32 0.00 0.00 0.00 0.00 46.02 44.00 3kqj n GLY 149 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kqj s ARG 150 N 0.00 3.53 0.86 1.61 0.52 -1.26 -4.79 118.95 119.43 3kqj s ARG 150 Ca 0.00 1.01 -0.12 0.00 -0.52 0.00 0.00 55.73 56.10 3kqj s ARG 150 Cb 0.00 -2.07 0.11 0.00 0.52 0.00 0.00 34.95 33.51 3kqj s ARG 150 CO 0.00 -0.62 1.10 -0.51 0.02 0.00 0.00 175.30 175.29 3kqj s LEU 151 N -4.60 2.33 -0.04 2.53 1.43 -1.26 -4.84 118.68 114.24 3kqj s LEU 151 Ca 0.60 1.35 0.04 0.00 -1.03 0.00 0.00 54.13 55.09 3kqj s LEU 151 Cb -0.13 -3.83 -0.00 0.00 0.03 0.00 0.00 46.19 42.26 3kqj s LEU 151 CO 0.40 -2.39 -0.16 -0.54 0.23 0.00 0.00 176.35 173.89 3kqj s LYS 152 N -5.05 1.68 0.49 1.70 1.02 0.56 -0.39 119.74 119.74 3kqj s LYS 152 Ca 0.62 -0.57 -0.23 0.00 0.02 0.00 0.00 55.97 55.82 3kqj s LYS 152 Cb -0.16 -1.47 -0.08 0.00 -0.52 0.00 0.00 37.83 35.61 3kqj s LYS 152 CO 0.56 0.22 1.23 0.41 -0.92 0.00 0.00 175.35 176.85 3kqj n GLY 153 N 3.17 0.41 3.24 -3.33 0.00 0.26 -4.47 105.19 104.47 3kqj n GLY 153 Ca -0.18 0.08 -0.09 0.00 0.00 0.00 0.00 46.02 45.83 3kqj n GLY 153 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kqj s ALA 154 N -1.28 -0.08 -0.47 4.61 0.00 -1.16 -4.76 121.76 118.62 3kqj s ALA 154 Ca 0.67 -0.76 -0.19 0.00 0.00 0.00 0.00 51.96 51.68 3kqj s ALA 154 Cb -0.47 0.60 0.04 0.00 0.00 0.00 0.00 23.12 23.29 3kqj s ALA 154 CO 0.53 -0.54 0.59 -1.58 0.00 0.00 0.00 175.76 174.77 3kqj s HIS 155 N -3.90 3.08 -0.28 0.00 2.46 -1.26 -1.72 115.29 113.66 3kqj s HIS 155 Ca 0.09 -0.35 -0.06 0.00 0.47 0.00 0.00 55.06 55.22 3kqj s HIS 155 Cb 0.05 -3.35 0.01 0.00 -0.13 0.00 0.00 32.58 29.16 3kqj s HIS 155 CO -0.07 -0.92 0.05 0.42 -2.47 0.00 0.00 174.74 171.75 3kqj s ILE 156 N 2.60 3.75 -0.50 0.89 1.01 0.20 -4.96 121.20 124.19 3kqj s ILE 156 Ca 0.17 -0.73 -0.15 0.00 0.00 0.00 0.00 60.65 59.94 3kqj s ILE 156 Cb -0.17 -2.92 0.10 0.00 0.01 0.00 0.00 42.46 39.49 3kqj s ILE 156 CO 0.15 0.12 0.44 -0.69 0.00 0.00 0.00 174.94 174.96 3kqj s VAL 157 N 1.47 5.13 0.01 2.92 1.01 -1.26 -0.80 120.40 128.88 3kqj s VAL 157 Ca 0.02 -1.33 -0.30 0.00 0.00 0.00 0.00 61.98 60.37 3kqj s VAL 157 Cb -0.17 -4.19 -0.07 0.00 0.00 0.00 0.00 36.38 31.95 3kqj s VAL 157 CO 0.01 -0.73 1.64 -0.04 0.00 0.00 0.00 175.10 175.98 3kqj s MET 158 N 1.60 4.20 0.00 2.72 1.00 -0.84 -4.87 119.30 123.11 3kqj s MET 158 Ca 0.04 2.25 0.32 0.00 0.00 0.00 0.00 55.69 58.30 3kqj s MET 158 Cb -0.27 -3.77 1.88 0.00 0.00 0.00 0.00 34.83 32.67 3kqj s MET 158 CO 0.04 -0.77 2.22 -0.40 0.00 0.00 0.00 175.02 176.11 3kqj n ASP 159 N 6.24 0.00 -3.75 3.03 5.68 -1.26 -4.70 116.55 121.80 3kqj n ASP 159 Ca 0.16 -0.95 -0.13 0.00 -0.50 0.00 0.00 54.79 53.37 3kqj n ASP 159 Cb 0.42 -0.02 -0.10 0.00 -1.14 0.00 0.00 41.12 40.28 3kqj n ASP 159 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 3kqj s LYS 160 N -2.03 0.51 -0.04 0.11 1.02 -1.26 -5.14 119.74 112.90 3kqj s LYS 160 Ca 0.47 0.31 -0.30 0.00 0.02 0.00 0.00 55.97 56.47 3kqj s LYS 160 Cb 0.22 0.24 -0.03 0.00 -0.52 0.00 0.00 37.83 37.74 3kqj s LYS 160 CO 0.37 -0.09 1.03 0.08 -0.92 0.00 0.00 175.35 175.82 3kqj s VAL 161 N -0.26 4.71 -0.07 3.17 1.01 -1.26 -5.02 120.40 122.68 3kqj s VAL 161 Ca -0.04 1.96 -0.03 0.00 0.00 0.00 0.00 61.98 63.87 3kqj s VAL 161 Cb -0.03 -4.26 0.04 0.00 0.00 0.00 0.00 36.38 32.13 3kqj s VAL 161 CO 0.02 0.08 0.14 -0.55 0.00 0.00 0.00 175.10 174.79 3kqj s SER 162 N 1.09 0.55 0.07 3.32 0.15 -1.26 -5.03 113.70 112.59 3kqj s SER 162 Ca 0.51 0.28 -0.31 0.00 0.70 0.00 0.00 55.95 57.13 3kqj s SER 162 Cb -0.21 0.18 -0.18 0.00 -1.71 0.00 0.00 66.02 64.10 3kqj s SER 162 CO 0.24 -0.22 1.65 0.58 1.20 0.00 0.00 173.24 176.69 3kqj h VAL 163 N 6.30 0.45 -0.85 4.45 2.07 -1.95 -1.81 116.25 124.91 3kqj h VAL 163 Ca -0.22 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.27 3kqj h VAL 163 Cb 1.12 0.45 -0.04 0.00 -1.52 0.00 0.00 31.29 31.31 3kqj h VAL 163 CO 0.23 0.00 0.41 1.23 0.02 0.00 0.00 177.57 179.46 3kqj h GLY 164 N -0.75 1.31 1.69 2.17 0.00 -2.00 -2.03 103.07 103.47 3kqj h GLY 164 Ca -0.08 -0.65 -0.15 0.00 0.00 0.00 0.00 47.33 46.45 3kqj h GLY 164 CO 0.13 0.62 -0.61 0.00 0.00 0.00 0.00 176.54 176.67 3kqj h ALA 165 N 1.22 0.78 -0.54 3.60 0.00 -1.92 -1.03 119.26 121.37 3kqj h ALA 165 Ca 0.29 -0.55 0.01 0.00 0.00 0.00 0.00 54.91 54.66 3kqj h ALA 165 Cb 0.12 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 3kqj h ALA 165 CO -0.04 0.73 0.36 1.15 0.00 0.00 0.00 179.25 181.45 3kqj h THR 166 N 0.23 1.13 -0.27 0.00 2.02 -1.00 -0.37 112.91 114.67 3kqj h THR 166 Ca -0.01 -0.25 -0.00 0.00 0.77 0.00 0.00 66.41 66.92 3kqj h THR 166 Cb 1.14 0.34 -0.01 0.00 -1.74 0.00 0.00 68.15 67.87 3kqj h THR 166 CO 0.10 0.13 0.15 0.58 0.37 0.00 0.00 175.52 176.86 3kqj h VAL 167 N 0.73 1.11 -0.30 3.16 2.07 -1.06 -0.03 116.25 121.93 3kqj h VAL 167 Ca 0.20 -0.28 0.03 0.00 0.82 0.00 0.00 66.70 67.48 3kqj h VAL 167 Cb -0.08 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 30.47 3kqj h VAL 167 CO -0.05 0.11 0.10 0.74 0.02 0.00 0.00 177.57 178.49 3kqj h THR 168 N 0.33 0.91 -0.19 2.57 2.02 -0.81 -0.76 112.91 116.98 3kqj h THR 168 Ca 0.10 -0.08 -0.04 0.00 0.77 0.00 0.00 66.41 67.16 3kqj h THR 168 Cb 0.04 0.66 -0.01 0.00 -1.74 0.00 0.00 68.15 67.10 3kqj h THR 168 CO -0.02 0.04 -0.02 0.40 0.37 0.00 0.00 175.52 176.29 3kqj h ILE 169 N 0.22 1.27 -0.37 3.11 2.04 -0.93 -1.98 117.51 120.88 3kqj h ILE 169 Ca 0.14 -0.94 0.01 0.00 1.00 0.00 0.00 64.86 65.07 3kqj h ILE 169 Cb 0.11 1.51 -0.02 0.00 -0.74 0.00 0.00 36.82 37.68 3kqj h ILE 169 CO -0.15 0.28 0.23 -0.03 0.00 0.00 0.00 178.15 178.49 3kqj h MET 170 N 0.08 0.45 -0.31 2.37 4.05 -0.85 -0.50 114.93 120.22 3kqj h MET 170 Ca 0.05 -0.03 -0.03 0.00 -0.28 0.00 0.00 59.70 59.41 3kqj h MET 170 Cb 0.44 -0.10 -0.01 0.00 -0.80 0.00 0.00 31.60 31.12 3kqj h MET 170 CO 0.01 0.30 0.06 0.00 0.23 0.00 0.00 176.91 177.52 3kqj h ALA 172 N 0.90 1.15 0.00 0.00 0.00 -1.21 -2.52 119.26 117.57 3kqj h ALA 172 Ca 0.10 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 3kqj h ALA 172 Cb 0.32 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 3kqj h ALA 172 CO 0.00 0.56 -0.05 0.00 0.00 0.00 0.00 179.25 179.76 3kqj h ALA 173 N 1.29 1.42 0.00 0.00 0.00 -0.93 -2.84 119.26 118.19 3kqj h ALA 173 Ca 0.16 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 3kqj h ALA 173 Cb 0.39 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 3kqj h ALA 173 CO 0.01 0.07 -0.02 1.79 0.00 0.00 0.00 179.25 181.10 3kqj h THR 174 N 0.00 0.18 -0.18 0.00 1.35 -1.30 -2.09 112.91 110.87 3kqj h THR 174 Ca -0.00 -0.18 0.00 0.00 -0.55 0.00 0.00 66.41 65.68 3kqj h THR 174 Cb 0.15 1.14 0.00 0.00 -1.73 0.00 0.00 68.15 67.71 3kqj h THR 174 CO 0.01 0.02 0.00 0.18 -0.25 0.00 0.00 175.52 175.48 3kqj n LEU 175 N -3.30 2.40 -4.85 3.87 4.77 -1.07 -1.08 117.00 117.73 3kqj n LEU 175 Ca -0.02 -1.58 -0.30 0.00 -0.03 0.00 0.00 56.01 54.08 3kqj n LEU 175 Cb 0.14 -0.12 0.05 0.00 -2.33 0.00 0.00 43.42 41.16 3kqj n LEU 175 CO 0.24 0.56 0.73 0.00 -1.33 0.00 0.00 177.39 177.59 3kqj s ALA 176 N -0.92 2.77 -0.27 -1.18 0.00 -0.79 -4.55 121.76 116.81 3kqj s ALA 176 Ca 0.17 -0.19 -0.23 0.00 0.00 0.00 0.00 51.96 51.71 3kqj s ALA 176 Cb 0.10 -3.08 -0.00 0.00 0.00 0.00 0.00 23.12 20.13 3kqj s ALA 176 CO 0.13 -1.18 0.78 -2.00 0.00 0.00 0.00 175.76 173.50 3kqj s GLU 177 N -5.22 4.08 0.01 0.00 2.12 0.48 -3.90 118.70 116.25 3kqj s GLU 177 Ca 0.58 0.73 0.00 0.00 0.36 0.00 0.00 54.97 56.64 3kqj s GLU 177 Cb -0.12 -3.68 0.00 0.00 0.26 0.00 0.00 34.13 30.59 3kqj s GLU 177 CO 0.53 -0.57 0.00 0.41 -0.54 0.00 0.00 175.26 175.09 3kqj n GLY 178 N 4.01 -1.72 3.66 -1.50 0.00 -1.26 -0.58 105.19 107.80 3kqj n GLY 178 Ca 0.04 -2.05 -0.35 0.00 0.00 0.00 0.00 46.02 43.66 3kqj n GLY 178 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kqj s THR 179 N 0.00 4.53 -0.10 2.61 2.01 -1.26 -0.71 115.64 122.72 3kqj s THR 179 Ca 0.00 -0.15 0.01 0.00 0.31 0.00 0.00 61.69 61.86 3kqj s THR 179 Cb 0.00 -2.97 -0.02 0.00 0.01 0.00 0.00 72.50 69.52 3kqj s THR 179 CO 0.00 0.54 -0.11 -0.89 -0.69 0.00 0.00 174.62 173.48 3kqj s THR 180 N -0.32 3.31 -0.18 -0.82 2.01 0.38 -2.99 115.64 117.04 3kqj s THR 180 Ca 0.07 -0.60 0.01 0.00 0.31 0.00 0.00 61.69 61.48 3kqj s THR 180 Cb -0.12 -2.36 0.03 0.00 0.01 0.00 0.00 72.50 70.05 3kqj s THR 180 CO 0.02 0.55 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.72 3kqj s ILE 181 N -0.20 1.83 -0.30 1.82 1.01 -0.70 -0.33 121.20 124.33 3kqj s ILE 181 Ca 0.01 -0.91 -0.11 0.00 0.00 0.00 0.00 60.65 59.64 3kqj s ILE 181 Cb -0.13 -1.74 -0.04 0.00 0.01 0.00 0.00 42.46 40.56 3kqj s ILE 181 CO 0.03 0.39 0.19 -0.63 0.00 0.00 0.00 174.94 174.93 3kqj s ILE 182 N 1.36 5.20 0.08 2.92 1.01 0.67 -0.63 121.20 131.81 3kqj s ILE 182 Ca 0.03 0.01 0.01 0.00 0.00 0.00 0.00 60.65 60.70 3kqj s ILE 182 Cb -0.14 -3.54 -0.04 0.00 0.01 0.00 0.00 42.46 38.75 3kqj s ILE 182 CO -0.11 0.17 0.17 -1.61 0.00 0.00 0.00 174.94 173.56 3kqj s GLU 183 N 1.73 3.23 -1.48 2.79 0.41 0.02 -1.31 118.70 124.09 3kqj s GLU 183 Ca 0.07 -0.55 -0.01 0.00 -0.41 0.00 0.00 54.97 54.07 3kqj s GLU 183 Cb -0.16 -2.91 0.00 0.00 -1.78 0.00 0.00 34.13 29.27 3kqj s GLU 183 CO 0.10 0.58 0.08 0.09 -0.49 0.00 0.00 175.26 175.63 3kqj n ASN 184 N 0.28 -5.19 -4.76 -0.19 3.02 -0.11 -1.98 115.26 106.32 3kqj n ASN 184 Ca -0.06 -0.05 -0.39 0.00 -0.03 0.00 0.00 54.58 54.05 3kqj n ASN 184 Cb 0.51 -4.23 0.01 0.00 -0.61 0.00 0.00 39.78 35.46 3kqj n ASN 184 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3kqj s ALA 185 N -2.91 3.09 0.44 5.41 0.00 -0.22 -4.60 121.76 122.97 3kqj s ALA 185 Ca 0.04 1.19 -0.25 0.00 0.00 0.00 0.00 51.96 52.95 3kqj s ALA 185 Cb -0.02 -3.48 -0.08 0.00 0.00 0.00 0.00 23.12 19.54 3kqj s ALA 185 CO 0.05 -0.92 1.25 0.00 0.00 0.00 0.00 175.76 176.14 3kqj s ALA 186 N -1.34 3.11 -1.89 0.00 0.00 -1.26 -4.34 121.76 116.05 3kqj s ALA 186 Ca 0.62 1.13 0.17 0.00 0.00 0.00 0.00 51.96 53.88 3kqj s ALA 186 Cb -0.36 -3.45 0.27 0.00 0.00 0.00 0.00 23.12 19.57 3kqj s ALA 186 CO 0.45 -0.81 1.19 0.54 0.00 0.00 0.00 175.76 177.13 3kqj n ARG 187 N -0.18 1.95 -1.48 0.00 1.74 -1.26 -4.67 116.66 112.76 3kqj n ARG 187 Ca 0.06 -1.86 -0.43 0.00 -0.77 0.00 0.00 57.85 54.85 3kqj n ARG 187 Cb 0.45 -1.37 -0.00 0.00 -1.02 0.00 0.00 32.46 30.53 3kqj n ARG 187 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3kqj n GLU 188 N 1.02 0.69 0.01 5.56 4.71 -1.26 -4.50 120.64 126.87 3kqj n GLU 188 Ca 0.13 0.25 0.21 0.00 -0.01 0.00 0.00 57.16 57.73 3kqj n GLU 188 Cb 0.47 -1.54 0.71 0.00 -1.01 0.00 0.00 31.44 30.07 3kqj n GLU 188 CO 0.00 0.00 0.00 -1.35 0.09 0.00 0.00 177.13 175.87 3kqj h PRO 189 N 1.08 0.00 0.00 3.49 0.11 -1.96 0.91 132.00 135.63 3kqj h PRO 189 Ca -0.39 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.68 3kqj h PRO 189 Cb 1.39 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.49 3kqj h PRO 189 CO 0.54 0.00 -0.18 0.93 -0.21 0.00 0.00 178.00 179.08 3kqj h GLU 190 N 0.00 0.00 -0.12 1.05 3.07 -1.88 -0.97 114.58 115.72 3kqj h GLU 190 Ca 0.24 0.00 -0.23 0.00 -0.50 0.00 0.00 59.36 58.87 3kqj h GLU 190 Cb 1.03 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.95 3kqj h GLU 190 CO -0.00 0.18 -0.82 0.82 -1.40 0.00 0.00 179.01 177.78 3kqj h ILE 191 N 0.00 1.28 -0.39 3.13 1.08 -1.14 -0.85 117.51 120.61 3kqj h ILE 191 Ca -0.00 -2.02 -0.03 0.00 -0.39 0.00 0.00 64.86 62.42 3kqj h ILE 191 Cb 0.79 2.06 -0.02 0.00 -3.07 0.00 0.00 36.82 36.58 3kqj h ILE 191 CO 0.02 0.64 0.13 0.58 -0.69 0.00 0.00 178.15 178.83 3kqj h VAL 192 N 0.51 1.21 -0.61 1.67 2.07 -1.28 -0.43 116.25 119.38 3kqj h VAL 192 Ca -0.07 -0.67 -0.04 0.00 0.82 0.00 0.00 66.70 66.74 3kqj h VAL 192 Cb 1.46 0.92 -0.03 0.00 -1.52 0.00 0.00 31.29 32.12 3kqj h VAL 192 CO 0.17 0.24 0.21 -0.78 0.02 0.00 0.00 177.57 177.43 3kqj h ASP 193 N 0.48 0.87 -0.62 0.57 3.58 -1.14 -0.33 116.42 119.84 3kqj h ASP 193 Ca 0.13 -0.19 -0.06 0.00 0.42 0.00 0.00 57.03 57.33 3kqj h ASP 193 Cb 0.24 -0.23 -0.03 0.00 1.72 0.00 0.00 39.33 41.04 3kqj h ASP 193 CO -0.01 0.83 0.15 0.74 -2.88 0.00 0.00 179.24 178.07 3kqj h THR 194 N 0.86 1.25 -0.60 2.25 2.02 -0.96 -0.80 112.91 116.93 3kqj h THR 194 Ca 0.20 -0.91 -0.01 0.00 0.77 0.00 0.00 66.41 66.46 3kqj h THR 194 Cb 0.25 0.66 -0.03 0.00 -1.74 0.00 0.00 68.15 67.30 3kqj h THR 194 CO -0.01 0.34 0.35 0.00 0.37 0.00 0.00 175.52 176.57 3kqj h ALA 195 N 1.05 0.77 -0.02 6.16 0.00 -0.70 -0.27 119.26 126.25 3kqj h ALA 195 Ca 0.19 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 3kqj h ALA 195 Cb 0.35 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3kqj h ALA 195 CO 0.00 0.26 -0.44 -0.91 0.00 0.00 0.00 179.25 178.17 3kqj h ASN 196 N 0.81 0.03 -0.07 0.00 2.35 -0.72 0.24 115.58 118.22 3kqj h ASN 196 Ca 0.21 -0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.94 3kqj h ASN 196 Cb 0.01 -0.01 -0.00 0.00 0.05 0.00 0.00 38.32 38.37 3kqj h ASN 196 CO -0.04 0.47 -0.00 0.15 -1.65 0.00 0.00 177.43 176.36 3kqj h PHE 197 N 0.03 0.14 -0.87 1.19 3.57 -0.70 -2.04 116.94 118.26 3kqj h PHE 197 Ca -0.00 -0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.51 3kqj h PHE 197 Cb 0.79 -0.04 -0.05 0.00 2.79 0.00 0.00 35.95 39.44 3kqj h PHE 197 CO 0.00 0.40 0.56 -0.07 -2.23 0.00 0.00 178.31 176.97 3kqj h LEU 198 N -0.16 0.92 -1.24 0.59 3.38 -0.53 -1.27 115.31 116.99 3kqj h LEU 198 Ca 0.02 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 3kqj h LEU 198 Cb 0.35 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 3kqj h LEU 198 CO 0.00 0.62 0.40 0.40 0.09 0.00 0.00 178.44 179.95 3kqj h ILE 199 N 1.07 1.19 -0.70 1.22 2.04 -0.87 -1.01 117.51 120.46 3kqj h ILE 199 Ca 0.36 -0.43 0.03 0.00 1.00 0.00 0.00 64.86 65.81 3kqj h ILE 199 Cb 0.05 0.25 -0.04 0.00 -0.74 0.00 0.00 36.82 36.34 3kqj h ILE 199 CO -0.13 0.20 0.46 0.74 0.00 0.00 0.00 178.15 179.42 3kqj h THR 200 N 0.93 1.11 0.00 -0.27 2.02 -0.48 -0.47 112.91 115.75 3kqj h THR 200 Ca 0.24 -0.29 0.00 0.00 0.77 0.00 0.00 66.41 67.13 3kqj h THR 200 Cb -0.03 0.18 0.00 0.00 -1.74 0.00 0.00 68.15 66.57 3kqj h THR 200 CO -0.04 0.16 0.00 0.18 0.37 0.00 0.00 175.52 176.18 3kqj n LEU 201 N -4.45 0.00 0.00 2.58 4.77 -0.54 -4.77 117.00 114.59 3kqj n LEU 201 Ca 0.09 0.41 0.00 0.00 -0.03 0.00 0.00 56.01 56.48 3kqj n LEU 201 Cb 0.11 -0.41 0.00 0.00 -2.33 0.00 0.00 43.42 40.79 3kqj n LEU 201 CO 0.35 -0.03 0.00 0.61 -1.33 0.00 0.00 177.39 176.99 3kqj n GLY 202 N 1.23 0.95 3.78 -0.72 0.00 -0.19 -0.27 105.19 109.97 3kqj n GLY 202 Ca 0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 3kqj n GLY 202 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kqj s ALA 203 N -2.00 2.45 -0.36 4.61 0.00 -0.50 -4.96 121.76 121.01 3kqj s ALA 203 Ca 0.00 0.32 -0.00 0.00 0.00 0.00 0.00 51.96 52.28 3kqj s ALA 203 Cb 0.00 -3.26 0.09 0.00 0.00 0.00 0.00 23.12 19.95 3kqj s ALA 203 CO 0.00 -1.42 0.10 0.15 0.00 0.00 0.00 175.76 174.59 3kqj s LYS 204 N -4.62 1.94 -0.00 0.00 1.02 -1.26 -4.34 119.74 112.49 3kqj s LYS 204 Ca 0.62 -1.70 0.01 0.00 0.02 0.00 0.00 55.97 54.93 3kqj s LYS 204 Cb -0.17 -3.35 -0.00 0.00 -0.52 0.00 0.00 37.83 33.78 3kqj s LYS 204 CO 0.50 -0.92 -0.05 0.42 -0.92 0.00 0.00 175.35 174.38 3kqj s ILE 205 N 1.09 0.37 0.07 2.17 1.01 -1.26 -0.85 121.20 123.80 3kqj s ILE 205 Ca 0.05 -0.20 -0.05 0.00 0.00 0.00 0.00 60.65 60.45 3kqj s ILE 205 Cb -0.21 -0.32 -0.02 0.00 0.01 0.00 0.00 42.46 41.92 3kqj s ILE 205 CO -0.05 0.11 0.10 -0.94 0.00 0.00 0.00 174.94 174.16 3kqj s SER 206 N -0.08 0.27 0.00 3.58 1.04 -0.31 -4.88 113.70 113.32 3kqj s SER 206 Ca 0.01 -0.79 0.00 0.00 0.48 0.00 0.00 55.95 55.66 3kqj s SER 206 Cb -0.02 0.28 0.00 0.00 0.10 0.00 0.00 66.02 66.38 3kqj s SER 206 CO -0.00 -0.67 0.00 0.61 0.98 0.00 0.00 173.24 174.16 3kqj n GLY 207 N 0.04 1.08 3.71 7.32 0.00 -1.26 -0.74 105.19 115.33 3kqj n GLY 207 Ca -0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.44 3kqj n GLY 207 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kqj n GLN 208 N -2.00 2.48 0.00 1.61 0.00 -1.26 -0.92 117.38 117.28 3kqj n GLN 208 Ca 0.00 0.89 0.00 0.00 0.00 0.00 0.00 57.00 57.89 3kqj n GLN 208 Cb 0.00 -2.64 0.00 0.00 0.00 0.00 0.00 30.24 27.60 3kqj n GLN 208 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3kqj n GLY 209 N 2.50 1.61 3.79 2.61 0.00 -1.26 -4.89 105.19 109.55 3kqj n GLY 209 Ca 0.11 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.85 3kqj n GLY 209 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3kqj s THR 210 N -2.40 1.71 -1.88 2.61 -4.23 -0.10 -4.76 115.64 106.59 3kqj s THR 210 Ca 0.00 -1.76 0.27 0.00 -1.18 0.00 0.00 61.69 59.02 3kqj s THR 210 Cb 0.00 -2.46 0.70 0.00 1.34 0.00 0.00 72.50 72.08 3kqj s THR 210 CO 0.00 0.00 1.94 -0.90 -0.54 0.00 0.00 174.62 175.12 3kqj n ASP 211 N -1.39 0.00 -3.81 3.99 3.85 -1.26 -4.60 116.55 113.33 3kqj n ASP 211 Ca -0.08 -0.68 -0.28 0.00 -0.71 0.00 0.00 54.79 53.05 3kqj n ASP 211 Cb 0.65 -0.06 -0.16 0.00 -1.35 0.00 0.00 41.12 40.20 3kqj n ASP 211 CO 0.00 0.00 0.00 -0.60 -1.01 0.00 0.00 177.20 175.59 3kqj s ARG 212 N -2.12 0.99 -0.13 0.11 3.52 -1.26 -0.93 118.95 119.13 3kqj s ARG 212 Ca 0.37 -0.47 -0.02 0.00 -0.13 0.00 0.00 55.73 55.48 3kqj s ARG 212 Cb 0.18 -2.03 -0.03 0.00 -1.56 0.00 0.00 34.95 31.52 3kqj s ARG 212 CO 0.33 -0.54 -0.06 0.42 -0.81 0.00 0.00 175.30 174.64 3kqj s ILE 213 N 1.75 3.76 -0.15 4.11 1.01 -0.43 -4.36 121.20 126.88 3kqj s ILE 213 Ca -0.01 -0.42 -0.00 0.00 0.00 0.00 0.00 60.65 60.22 3kqj s ILE 213 Cb -0.16 -2.61 -0.01 0.00 0.01 0.00 0.00 42.46 39.69 3kqj s ILE 213 CO -0.07 0.53 -0.13 -0.69 0.00 0.00 0.00 174.94 174.57 3kqj s VAL 214 N 0.04 2.90 -0.11 2.92 1.01 0.08 -0.24 120.40 126.99 3kqj s VAL 214 Ca -0.01 -0.70 0.02 0.00 0.00 0.00 0.00 61.98 61.30 3kqj s VAL 214 Cb -0.14 -2.23 0.01 0.00 0.00 0.00 0.00 36.38 34.03 3kqj s VAL 214 CO 0.03 0.51 -0.18 -0.63 0.00 0.00 0.00 175.10 174.83 3kqj s ILE 215 N 0.64 1.72 -0.32 2.22 1.09 0.55 -1.17 121.20 125.94 3kqj s ILE 215 Ca -0.07 -0.79 -0.10 0.00 -1.10 0.00 0.00 60.65 58.59 3kqj s ILE 215 Cb -0.16 -1.54 -0.00 0.00 -1.06 0.00 0.00 42.46 39.70 3kqj s ILE 215 CO 0.03 0.48 0.15 -0.70 -0.10 0.00 0.00 174.94 174.80 3kqj s GLU 216 N 0.81 3.27 0.63 2.79 2.12 -0.03 -0.47 118.70 127.82 3kqj s GLU 216 Ca -0.09 -0.76 -0.18 0.00 0.36 0.00 0.00 54.97 54.30 3kqj s GLU 216 Cb -0.16 -3.57 -0.02 0.00 0.26 0.00 0.00 34.13 30.65 3kqj s GLU 216 CO 0.00 -0.44 1.24 0.20 -0.54 0.00 0.00 175.26 175.72 3kqj s GLY 217 N 1.60 2.75 0.26 -1.50 0.00 0.11 -3.98 107.32 106.56 3kqj s GLY 217 Ca 0.04 1.08 0.05 0.00 0.00 0.00 0.00 44.72 45.90 3kqj s GLY 217 CO 0.06 1.49 -0.04 -1.34 0.00 0.00 0.00 173.10 173.27 3kqj s VAL 218 N -1.55 1.41 0.14 1.40 -7.23 -0.24 -4.63 120.40 109.70 3kqj s VAL 218 Ca 0.79 -2.09 -0.13 0.00 -1.81 0.00 0.00 61.98 58.74 3kqj s VAL 218 Cb -0.33 -2.42 -0.00 0.00 0.56 0.00 0.00 36.38 34.19 3kqj s VAL 218 CO 0.37 -0.31 1.58 -0.33 -0.31 0.00 0.00 175.10 176.11 3kqj h GLU 219 N 2.35 0.80 -3.15 4.82 5.08 -1.88 -3.38 114.58 119.20 3kqj h GLU 219 Ca -0.39 -0.26 -0.07 0.00 -1.00 0.00 0.00 59.36 57.64 3kqj h GLU 219 Cb 1.23 -0.07 -0.15 0.00 0.50 0.00 0.00 28.75 30.26 3kqj h GLU 219 CO 0.66 0.86 -0.09 -0.98 -1.00 0.00 0.00 179.01 178.46 3kqj s ARG 220 N -5.00 0.97 0.07 2.33 1.70 -1.26 -4.99 118.95 112.78 3kqj s ARG 220 Ca -0.13 -0.48 0.04 0.00 -0.47 0.00 0.00 55.73 54.69 3kqj s ARG 220 Cb 0.11 0.43 -0.04 0.00 -0.57 0.00 0.00 34.95 34.88 3kqj s ARG 220 CO 0.81 -0.35 0.02 -0.51 -1.08 0.00 0.00 175.30 174.19 3kqj s LEU 221 N -2.28 3.55 0.00 -1.89 1.43 -1.26 -4.93 118.68 113.30 3kqj s LEU 221 Ca -0.02 -0.10 0.00 0.00 -1.03 0.00 0.00 54.13 52.98 3kqj s LEU 221 Cb 0.00 -2.22 0.00 0.00 0.03 0.00 0.00 46.19 44.00 3kqj s LEU 221 CO -0.06 0.20 0.00 0.61 0.23 0.00 0.00 176.35 177.33 3kqj n GLY 222 N 0.74 1.27 0.00 -3.19 0.00 0.62 -1.35 105.19 103.29 3kqj n GLY 222 Ca -0.11 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 44.92 3kqj n GLY 222 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kqj n GLY 223 N 5.00 4.26 0.00 -0.02 0.00 -1.26 -3.22 105.19 109.95 3kqj n GLY 223 Ca 0.00 -2.00 0.00 0.00 0.00 0.00 0.00 46.02 44.02 3kqj n GLY 223 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kqj n GLY 224 N 3.14 -1.70 3.01 -0.02 0.00 -1.13 -4.34 105.19 104.15 3kqj n GLY 224 Ca 0.00 -1.13 -0.23 0.00 0.00 0.00 0.00 46.02 44.66 3kqj n GLY 224 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kqj s VAL 225 N -2.62 0.98 -0.13 1.61 1.01 -1.26 -1.35 120.40 118.64 3kqj s VAL 225 Ca 0.00 -0.42 -0.11 0.00 0.00 0.00 0.00 61.98 61.46 3kqj s VAL 225 Cb 0.00 -0.89 0.04 0.00 0.00 0.00 0.00 36.38 35.52 3kqj s VAL 225 CO 0.00 0.31 0.34 -0.47 0.00 0.00 0.00 175.10 175.28 3kqj s TYR 226 N 0.51 -0.39 -0.21 5.22 5.04 -0.59 -4.99 117.35 121.94 3kqj s TYR 226 Ca -0.10 0.94 -0.07 0.00 -2.44 0.00 0.00 57.07 55.39 3kqj s TYR 226 Cb -0.13 0.14 -0.04 0.00 0.35 0.00 0.00 41.96 42.28 3kqj s TYR 226 CO 0.02 -0.20 0.07 0.50 -1.34 0.00 0.00 175.55 174.60 3kqj s ARG 227 N 0.44 3.83 0.35 4.97 3.52 -1.26 0.06 118.95 130.86 3kqj s ARG 227 Ca -0.02 -0.41 -0.27 0.00 -0.13 0.00 0.00 55.73 54.90 3kqj s ARG 227 Cb -0.04 -3.27 -0.09 0.00 -1.56 0.00 0.00 34.95 29.99 3kqj s ARG 227 CO -0.02 0.06 1.21 0.08 -0.81 0.00 0.00 175.30 175.82 3kqj s VAL 228 N 0.95 3.03 0.86 7.11 1.01 -0.29 -4.93 120.40 128.14 3kqj s VAL 228 Ca 0.04 0.97 -0.11 0.00 0.00 0.00 0.00 61.98 62.87 3kqj s VAL 228 Cb -0.14 -3.59 0.10 0.00 0.00 0.00 0.00 36.38 32.76 3kqj s VAL 228 CO 0.03 0.18 1.09 -1.48 0.00 0.00 0.00 175.10 174.92 3kqj s LEU 229 N -2.02 2.45 0.65 3.92 2.34 -1.26 -4.72 118.68 120.04 3kqj s LEU 229 Ca 0.52 1.50 -0.17 0.00 0.06 0.00 0.00 54.13 56.03 3kqj s LEU 229 Cb -0.35 -4.01 -0.00 0.00 -0.56 0.00 0.00 46.19 41.28 3kqj s LEU 229 CO 0.45 -2.40 1.22 -2.84 -1.06 0.00 0.00 176.35 171.72 3kqj s PRO 230 N -4.98 2.59 -0.61 1.48 0.02 -1.26 -0.35 135.00 131.90 3kqj s PRO 230 Ca 0.62 1.84 -0.28 0.00 0.02 0.00 0.00 61.00 63.20 3kqj s PRO 230 Cb -0.17 -1.88 0.03 0.00 0.02 0.00 0.00 34.50 32.50 3kqj s PRO 230 CO 0.56 -1.51 1.23 0.34 -0.33 0.00 0.00 177.00 177.30 3kqj s ASP 231 N -1.74 6.36 0.44 2.53 -1.08 -0.25 -4.19 116.67 118.74 3kqj s ASP 231 Ca 0.77 0.03 0.15 0.00 -0.52 0.00 0.00 52.55 52.99 3kqj s ASP 231 Cb -0.31 -2.55 1.01 0.00 -1.46 0.00 0.00 42.92 39.60 3kqj s ASP 231 CO 0.39 -1.57 1.98 0.08 0.52 0.00 0.00 175.17 176.56 3kqj h ARG 232 N 9.81 0.00 -0.00 4.34 0.11 -1.91 -0.98 114.38 125.75 3kqj h ARG 232 Ca -0.26 0.00 -0.26 0.00 0.10 0.00 0.00 59.98 59.56 3kqj h ARG 232 Cb 1.06 0.00 0.02 0.00 1.11 0.00 0.00 29.97 32.16 3kqj h ARG 232 CO 1.20 0.20 -1.03 0.82 0.10 0.00 0.00 179.97 181.27 3kqj h ILE 233 N 0.00 1.29 -0.71 0.08 1.08 -1.95 0.94 117.51 118.24 3kqj h ILE 233 Ca -0.00 -2.26 -0.05 0.00 -0.39 0.00 0.00 64.86 62.16 3kqj h ILE 233 Cb 0.37 2.38 -0.03 0.00 -3.07 0.00 0.00 36.82 36.47 3kqj h ILE 233 CO 0.03 0.70 0.26 -0.08 -0.69 0.00 0.00 178.15 178.36 3kqj h GLU 234 N 0.38 1.08 -0.16 2.37 4.81 -1.85 0.50 114.58 121.71 3kqj h GLU 234 Ca -0.12 -0.21 -0.00 0.00 -0.13 0.00 0.00 59.36 58.89 3kqj h GLU 234 Cb 1.68 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 30.89 3kqj h GLU 234 CO 0.20 0.91 0.10 1.15 -0.73 0.00 0.00 179.01 180.63 3kqj h THR 235 N 1.03 1.07 -0.48 0.32 2.02 -1.03 -1.67 112.91 114.16 3kqj h THR 235 Ca 0.23 -0.16 -0.03 0.00 0.77 0.00 0.00 66.41 67.22 3kqj h THR 235 Cb 0.25 0.89 -0.02 0.00 -1.74 0.00 0.00 68.15 67.53 3kqj h THR 235 CO -0.01 0.06 0.16 1.23 0.37 0.00 0.00 175.52 177.33 3kqj h GLY 236 N 0.18 0.75 0.98 2.16 0.00 -0.46 -1.65 103.07 105.03 3kqj h GLY 236 Ca 0.06 -0.39 -0.00 0.00 0.00 0.00 0.00 47.33 46.99 3kqj h GLY 236 CO -0.01 0.37 0.23 -0.84 0.00 0.00 0.00 176.54 176.29 3kqj h THR 237 N 0.69 1.14 0.00 4.70 2.02 -0.33 -0.22 112.91 120.91 3kqj h THR 237 Ca 0.16 -0.34 -0.11 0.00 0.77 0.00 0.00 66.41 66.89 3kqj h THR 237 Cb 0.19 0.65 -0.02 0.00 -1.74 0.00 0.00 68.15 67.23 3kqj h THR 237 CO -0.01 0.14 -0.54 -0.26 0.37 0.00 0.00 175.52 175.22 3kqj h PHE 238 N 0.52 0.00 -0.45 3.16 -1.00 -0.99 -0.94 116.94 117.24 3kqj h PHE 238 Ca 0.14 0.00 -0.11 0.00 2.81 0.00 0.00 57.97 60.82 3kqj h PHE 238 Cb 0.03 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.58 3kqj h PHE 238 CO -0.03 0.54 -0.14 -0.07 -1.61 0.00 0.00 178.31 177.01 3kqj h LEU 239 N 0.00 0.89 -0.90 1.54 3.38 -0.94 -2.03 115.31 117.25 3kqj h LEU 239 Ca -0.01 -0.37 -0.06 0.00 0.09 0.00 0.00 57.88 57.53 3kqj h LEU 239 Cb 1.01 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.49 3kqj h LEU 239 CO 0.07 1.06 0.16 0.58 0.09 0.00 0.00 178.44 180.40 3kqj h VAL 240 N 0.71 1.24 -0.57 1.22 2.07 -0.80 -0.88 116.25 119.24 3kqj h VAL 240 Ca 0.11 -0.88 0.08 0.00 0.82 0.00 0.00 66.70 66.83 3kqj h VAL 240 Cb 0.69 0.59 -0.07 0.00 -1.52 0.00 0.00 31.29 30.98 3kqj h VAL 240 CO 0.05 0.33 0.21 0.00 0.02 0.00 0.00 177.57 178.19 3kqj h ALA 241 N 1.24 0.72 -0.29 1.67 0.00 -0.72 -0.90 119.26 120.99 3kqj h ALA 241 Ca 0.20 0.07 -0.08 0.00 0.00 0.00 0.00 54.91 55.11 3kqj h ALA 241 Cb 0.32 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3kqj h ALA 241 CO -0.00 -0.19 -0.12 0.00 0.00 0.00 0.00 179.25 178.94 3kqj h ALA 242 N 1.38 0.40 -0.04 0.00 0.00 -1.03 -2.84 119.26 117.13 3kqj h ALA 242 Ca 0.28 -0.31 0.03 0.00 0.00 0.00 0.00 54.91 54.91 3kqj h ALA 242 Cb 0.32 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 3kqj h ALA 242 CO -0.28 0.27 -0.17 0.00 0.00 0.00 0.00 179.25 179.07 3kqj h ALA 243 N 0.76 -0.18 0.00 0.00 0.00 -0.45 -1.32 119.26 118.07 3kqj h ALA 243 Ca 0.07 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3kqj h ALA 243 Cb 0.63 0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.74 3kqj h ALA 243 CO 0.04 -0.66 0.00 -0.84 0.00 0.00 0.00 179.25 177.79 3kqj h ILE 244 N -0.26 0.00 -0.00 0.00 3.07 -1.26 -1.87 117.51 117.18 3kqj h ILE 244 Ca 0.07 -0.32 0.00 0.00 1.55 0.00 0.00 64.86 66.16 3kqj h ILE 244 Cb 0.36 1.14 0.00 0.00 -0.27 0.00 0.00 36.82 38.05 3kqj h ILE 244 CO -0.20 0.00 -0.40 -1.20 -1.05 0.00 0.00 178.15 175.30 3kqj n SER 245 N -2.50 0.44 -2.91 2.16 7.64 -0.69 -4.93 113.62 112.84 3kqj n SER 245 Ca 0.02 -0.17 -0.22 0.00 1.01 0.00 0.00 58.87 59.51 3kqj n SER 245 Cb 0.26 0.12 0.03 0.00 -1.01 0.00 0.00 64.21 63.61 3kqj n SER 245 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3kqj n ARG 246 N -1.45 -4.42 0.00 1.43 1.74 -0.62 -4.65 116.66 108.68 3kqj n ARG 246 Ca 0.06 0.93 0.00 0.00 -0.77 0.00 0.00 57.85 58.07 3kqj n ARG 246 Cb 0.34 -5.76 0.00 0.00 -1.02 0.00 0.00 32.46 26.02 3kqj n ARG 246 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kqj n GLY 247 N -1.45 6.85 3.02 -0.13 0.00 -0.60 -3.11 105.19 109.77 3kqj n GLY 247 Ca -0.14 -2.00 -0.14 0.00 0.00 0.00 0.00 46.02 43.74 3kqj n GLY 247 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3kqj s LYS 248 N 1.37 0.50 -0.02 1.61 2.20 -1.26 -1.40 119.74 122.73 3kqj s LYS 248 Ca 0.00 -0.54 -0.12 0.00 -0.36 0.00 0.00 55.97 54.96 3kqj s LYS 248 Cb 0.00 -0.35 0.02 0.00 -1.51 0.00 0.00 37.83 35.98 3kqj s LYS 248 CO 0.00 0.08 0.25 -1.50 -0.36 0.00 0.00 175.35 173.82 3kqj s ILE 249 N -0.88 0.06 -0.14 5.43 2.07 -0.29 -1.27 121.20 126.18 3kqj s ILE 249 Ca -0.05 -0.51 0.02 0.00 -1.41 0.00 0.00 60.65 58.69 3kqj s ILE 249 Cb -0.07 -0.53 0.01 0.00 0.13 0.00 0.00 42.46 42.00 3kqj s ILE 249 CO 0.00 -0.28 -0.19 -0.63 -1.91 0.00 0.00 174.94 171.93 3kqj s ILE 250 N -1.23 1.86 -0.29 2.00 1.01 -0.56 -1.22 121.20 122.77 3kqj s ILE 250 Ca -0.13 -0.84 -0.11 0.00 0.00 0.00 0.00 60.65 59.57 3kqj s ILE 250 Cb -0.06 -1.67 -0.04 0.00 0.01 0.00 0.00 42.46 40.70 3kqj s ILE 250 CO 0.03 0.51 0.18 0.00 0.00 0.00 0.00 174.94 175.66 3kqj s ARG 252 N 1.74 3.42 -1.38 0.00 1.81 0.44 -1.79 118.95 123.19 3kqj s ARG 252 Ca 0.07 -0.49 -0.08 0.00 -1.72 0.00 0.00 55.73 53.51 3kqj s ARG 252 Cb -0.16 -2.72 0.03 0.00 -0.45 0.00 0.00 34.95 31.65 3kqj s ARG 252 CO 0.10 0.18 1.08 0.09 -0.68 0.00 0.00 175.30 176.07 3kqj n ASN 253 N -1.71 -5.00 -4.88 0.23 4.13 -0.83 -0.79 115.26 106.42 3kqj n ASN 253 Ca -0.05 -0.63 -0.21 0.00 1.68 0.00 0.00 54.58 55.37 3kqj n ASN 253 Cb 0.57 -4.69 -0.03 0.00 -1.54 0.00 0.00 39.78 34.08 3kqj n ASN 253 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3kqj s ALA 254 N -3.35 3.96 -0.42 5.41 0.00 -0.38 -4.46 121.76 122.52 3kqj s ALA 254 Ca 0.48 -1.71 0.02 0.00 0.00 0.00 0.00 51.96 50.75 3kqj s ALA 254 Cb -0.22 -1.18 0.13 0.00 0.00 0.00 0.00 23.12 21.85 3kqj s ALA 254 CO 0.76 -0.07 0.23 -1.14 0.00 0.00 0.00 175.76 175.54 3kqj s GLN 255 N -4.06 1.18 0.37 0.00 0.74 -1.26 -4.12 119.66 112.51 3kqj s GLN 255 Ca 0.44 -1.90 0.17 0.00 0.05 0.00 0.00 55.36 54.12 3kqj s GLN 255 Cb -0.06 -2.20 1.08 0.00 1.10 0.00 0.00 33.01 32.93 3kqj s GLN 255 CO 0.28 -1.16 1.73 -1.35 -0.55 0.00 0.00 175.29 174.23 3kqj h PRO 256 N 6.80 0.39 0.00 1.67 0.11 -1.86 -2.12 132.00 136.99 3kqj h PRO 256 Ca -0.00 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.08 3kqj h PRO 256 Cb 0.94 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.96 3kqj h PRO 256 CO 0.45 0.26 0.00 -0.40 -0.21 0.00 0.00 178.00 178.10 3kqj n ASP 257 N -4.77 0.00 -0.34 -2.05 3.85 -1.26 -1.82 116.55 110.16 3kqj n ASP 257 Ca 0.28 -0.16 0.13 0.00 -0.71 0.00 0.00 54.79 54.34 3kqj n ASP 257 Cb 0.92 -0.19 0.42 0.00 -1.35 0.00 0.00 41.12 40.92 3kqj n ASP 257 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.20 176.54 3kqj n THR 258 N -1.19 0.00 -1.85 2.12 -2.24 -0.80 -4.31 114.28 106.01 3kqj n THR 258 Ca 0.10 -0.18 0.05 0.00 -2.27 0.00 0.00 64.05 61.76 3kqj n THR 258 Cb 0.11 0.46 0.14 0.00 -2.10 0.00 0.00 70.33 68.93 3kqj n THR 258 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3kqj n LEU 259 N -0.33 2.02 -0.14 3.22 4.77 -0.76 -4.89 117.00 120.89 3kqj n LEU 259 Ca 0.14 -3.11 -0.04 0.00 -0.03 0.00 0.00 56.01 52.97 3kqj n LEU 259 Cb 0.36 -0.33 0.03 0.00 -2.33 0.00 0.00 43.42 41.14 3kqj n LEU 259 CO 0.23 1.01 0.75 0.44 -1.33 0.00 0.00 177.39 178.49 3kqj h ASP 260 N 0.86 -0.54 -0.48 -1.43 3.32 -1.75 -0.13 116.42 116.27 3kqj h ASP 260 Ca -0.07 0.15 -0.06 0.00 0.02 0.00 0.00 57.03 57.07 3kqj h ASP 260 Cb 1.30 0.33 -0.02 0.00 0.22 0.00 0.00 39.33 41.16 3kqj h ASP 260 CO 0.03 -0.19 0.05 0.00 -1.72 0.00 0.00 179.24 177.41 3kqj h ALA 261 N 1.37 0.64 -0.38 3.45 0.00 -1.89 -1.75 119.26 120.69 3kqj h ALA 261 Ca 0.22 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 3kqj h ALA 261 Cb 0.39 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3kqj h ALA 261 CO -0.50 0.40 0.09 0.28 0.00 0.00 0.00 179.25 179.52 3kqj h VAL 262 N 0.68 1.23 -0.58 0.00 2.07 -1.81 -1.91 116.25 115.93 3kqj h VAL 262 Ca 0.14 -0.79 -0.07 0.00 0.82 0.00 0.00 66.70 66.80 3kqj h VAL 262 Cb 0.44 1.01 -0.02 0.00 -1.52 0.00 0.00 31.29 31.19 3kqj h VAL 262 CO 0.02 0.27 0.07 -0.07 0.02 0.00 0.00 177.57 177.87 3kqj h LEU 263 N 0.48 0.91 -0.83 2.57 3.38 -0.97 -0.68 115.31 120.17 3kqj h LEU 263 Ca 0.12 -0.21 -0.04 0.00 0.09 0.00 0.00 57.88 57.84 3kqj h LEU 263 Cb 0.31 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.79 3kqj h LEU 263 CO 0.00 0.93 0.37 0.00 0.09 0.00 0.00 178.44 179.83 3kqj h ALA 264 N 1.17 1.07 -0.26 1.53 0.00 -1.17 -0.30 119.26 121.31 3kqj h ALA 264 Ca 0.18 -0.18 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 3kqj h ALA 264 Cb 0.43 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3kqj h ALA 264 CO 0.01 0.66 -0.34 0.87 0.00 0.00 0.00 179.25 180.46 3kqj h LYS 265 N 1.19 0.55 -0.33 0.00 1.79 -0.89 -0.90 116.57 117.98 3kqj h LYS 265 Ca 0.28 -0.25 -0.11 0.00 -2.18 0.00 0.00 60.65 58.39 3kqj h LYS 265 Cb 0.16 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 30.79 3kqj h LYS 265 CO -0.03 0.82 -0.25 -0.07 -1.08 0.00 0.00 179.45 178.83 3kqj h LEU 266 N 0.47 0.67 -0.75 2.94 3.38 -0.66 -1.20 115.31 120.16 3kqj h LEU 266 Ca 0.05 -0.24 -0.07 0.00 0.09 0.00 0.00 57.88 57.71 3kqj h LEU 266 Cb 0.81 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.35 3kqj h LEU 266 CO 0.07 0.90 0.14 0.03 0.09 0.00 0.00 178.44 179.67 3kqj h ARG 267 N 0.57 1.09 0.00 1.13 3.08 -0.71 -0.84 114.38 118.69 3kqj h ARG 267 Ca 0.08 -0.27 -0.02 0.00 0.07 0.00 0.00 59.98 59.84 3kqj h ARG 267 Cb 0.74 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 30.64 3kqj h ARG 267 CO 0.06 0.97 -0.10 -0.44 -1.07 0.00 0.00 179.97 179.40 3kqj h ASP 268 N 1.03 0.00 0.10 7.04 3.32 -0.56 -0.01 116.42 127.34 3kqj h ASP 268 Ca 0.21 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.26 3kqj h ASP 268 Cb 0.39 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.94 3kqj h ASP 268 CO 0.01 0.10 -0.01 0.00 -1.72 0.00 0.00 179.24 177.61 3kqj n ALA 269 N -2.36 2.66 0.00 3.45 0.00 -0.51 -4.76 120.51 118.99 3kqj n ALA 269 Ca -0.02 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.17 3kqj n ALA 269 Cb 0.19 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.21 3kqj n ALA 269 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kqj n GLY 270 N 1.10 0.77 3.77 0.00 0.00 -0.02 0.01 105.19 110.82 3kqj n GLY 270 Ca 0.21 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.84 3kqj n GLY 270 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kqj s ALA 271 N -2.00 3.27 -0.46 4.61 0.00 -0.43 -4.86 121.76 121.89 3kqj s ALA 271 Ca 0.00 0.76 -0.18 0.00 0.00 0.00 0.00 51.96 52.55 3kqj s ALA 271 Cb 0.00 -3.28 0.04 0.00 0.00 0.00 0.00 23.12 19.88 3kqj s ALA 271 CO 0.00 -0.10 0.50 0.34 0.00 0.00 0.00 175.76 176.49 3kqj s ASP 272 N -1.22 6.20 -0.06 0.00 2.15 -0.29 -4.35 116.67 119.11 3kqj s ASP 272 Ca 0.49 -0.86 0.04 0.00 0.43 0.00 0.00 52.55 52.65 3kqj s ASP 272 Cb -0.27 -2.24 -0.02 0.00 -0.30 0.00 0.00 42.92 40.09 3kqj s ASP 272 CO 0.34 -0.70 -0.16 -0.63 -0.17 0.00 0.00 175.17 173.85 3kqj s ILE 273 N 2.23 2.88 0.10 4.11 1.01 -1.26 -0.64 121.20 129.63 3kqj s ILE 273 Ca 0.12 -0.78 0.06 0.00 0.00 0.00 0.00 60.65 60.05 3kqj s ILE 273 Cb -0.19 -2.13 -0.03 0.00 0.01 0.00 0.00 42.46 40.12 3kqj s ILE 273 CO 0.12 0.58 -0.15 -1.61 0.00 0.00 0.00 174.94 173.88 3kqj s GLU 274 N -0.47 0.93 0.04 2.79 2.02 -0.74 -4.99 118.70 118.28 3kqj s GLU 274 Ca 0.06 -1.10 0.02 0.00 0.02 0.00 0.00 54.97 53.97 3kqj s GLU 274 Cb -0.12 -0.90 -0.02 0.00 0.10 0.00 0.00 34.13 33.19 3kqj s GLU 274 CO 0.02 0.19 -0.07 0.14 0.02 0.00 0.00 175.26 175.55 3kqj s VAL 275 N -1.67 0.51 0.00 2.63 -7.23 -1.26 -0.69 120.40 112.68 3kqj s VAL 275 Ca 0.04 -1.03 0.00 0.00 -1.81 0.00 0.00 61.98 59.17 3kqj s VAL 275 Cb -0.08 -0.58 0.00 0.00 0.56 0.00 0.00 36.38 36.29 3kqj s VAL 275 CO 0.03 -0.37 0.00 0.61 -0.31 0.00 0.00 175.10 175.06 3kqj n GLY 276 N 1.53 5.78 0.31 2.32 0.00 -0.11 -4.99 105.19 110.04 3kqj n GLY 276 Ca -0.22 -2.08 -0.04 0.00 0.00 0.00 0.00 46.02 43.67 3kqj n GLY 276 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3kqj h GLU 277 N 0.00 0.93 -0.17 1.61 4.81 -2.01 -3.35 114.58 116.39 3kqj h GLU 277 Ca 0.00 -0.21 -0.20 0.00 -0.13 0.00 0.00 59.36 58.82 3kqj h GLU 277 Cb 0.00 -0.13 -0.39 0.00 0.63 0.00 0.00 28.75 28.86 3kqj h GLU 277 CO 0.00 0.84 -1.07 -0.40 -0.73 0.00 0.00 179.01 177.65 3kqj n ASP 278 N -4.25 1.24 -3.60 1.04 3.85 -1.26 -4.67 116.55 108.90 3kqj n ASP 278 Ca 0.04 -2.02 -0.11 0.00 -0.71 0.00 0.00 54.79 52.00 3kqj n ASP 278 Cb 0.25 -0.37 -0.04 0.00 -1.35 0.00 0.00 41.12 39.60 3kqj n ASP 278 CO 0.00 0.00 0.00 -1.66 -1.01 0.00 0.00 177.20 174.53 3kqj s TRP 279 N -1.55 -0.26 -0.02 2.11 1.48 -1.26 -1.25 118.94 118.21 3kqj s TRP 279 Ca 0.31 -0.03 0.00 0.00 -1.06 0.00 0.00 56.10 55.33 3kqj s TRP 279 Cb 0.36 0.30 0.02 0.00 -1.16 0.00 0.00 33.47 32.99 3kqj s TRP 279 CO -0.12 -0.72 0.02 0.42 -4.06 0.00 0.00 176.95 172.49 3kqj s ILE 280 N -3.72 -0.01 0.09 0.66 1.01 -0.74 -0.93 121.20 117.56 3kqj s ILE 280 Ca 0.02 0.14 0.10 0.00 0.00 0.00 0.00 60.65 60.91 3kqj s ILE 280 Cb 0.01 -0.08 -0.04 0.00 0.01 0.00 0.00 42.46 42.36 3kqj s ILE 280 CO -0.12 0.07 -0.26 -0.94 0.00 0.00 0.00 174.94 173.70 3kqj s SER 281 N 0.76 3.34 -0.03 3.58 1.04 0.13 -0.26 113.70 122.26 3kqj s SER 281 Ca -0.06 -0.66 0.01 0.00 0.48 0.00 0.00 55.95 55.72 3kqj s SER 281 Cb -0.09 -0.29 0.02 0.00 0.10 0.00 0.00 66.02 65.75 3kqj s SER 281 CO -0.02 0.21 -0.04 -0.22 0.98 0.00 0.00 173.24 174.16 3kqj s LEU 282 N -1.74 1.44 -0.06 2.42 0.20 -0.36 -1.80 118.68 118.79 3kqj s LEU 282 Ca 0.14 -0.10 -0.00 0.00 0.69 0.00 0.00 54.13 54.85 3kqj s LEU 282 Cb -0.10 -0.36 0.03 0.00 -0.43 0.00 0.00 46.19 45.33 3kqj s LEU 282 CO 0.05 -0.04 -0.01 -0.62 -0.29 0.00 0.00 176.35 175.44 3kqj s ASP 283 N 0.71 1.29 0.00 3.68 -1.08 0.19 -1.14 116.67 120.32 3kqj s ASP 283 Ca -0.09 -0.09 0.26 0.00 -0.52 0.00 0.00 52.55 52.11 3kqj s ASP 283 Cb -0.12 -0.42 0.62 0.00 -1.46 0.00 0.00 42.92 41.54 3kqj s ASP 283 CO -0.00 -0.14 1.49 0.23 0.52 0.00 0.00 175.17 177.26 3kqj n MET 284 N 4.73 0.21 -3.81 4.34 2.81 -0.50 -1.13 117.12 123.78 3kqj n MET 284 Ca -0.14 -0.12 -0.28 0.00 -1.81 0.00 0.00 57.70 55.35 3kqj n MET 284 Cb 0.50 -1.50 0.04 0.00 -0.71 0.00 0.00 33.22 31.55 3kqj n MET 284 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 3kqj n HIS 285 N -1.29 -2.44 -0.95 2.03 8.25 -1.26 -1.29 115.22 118.27 3kqj n HIS 285 Ca 0.07 0.92 0.00 0.00 -0.26 0.00 0.00 57.72 58.45 3kqj n HIS 285 Cb 0.34 -4.24 0.00 0.00 1.12 0.00 0.00 29.99 27.21 3kqj n HIS 285 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3kqj n GLY 286 N -1.76 0.32 3.89 -1.41 0.00 -1.18 -5.01 105.19 100.04 3kqj n GLY 286 Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 3kqj n GLY 286 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kqj s LYS 287 N -0.86 3.64 0.27 1.61 -0.14 -0.41 -4.93 119.74 118.92 3kqj s LYS 287 Ca 0.00 -0.04 -0.29 0.00 -1.36 0.00 0.00 55.97 54.28 3kqj s LYS 287 Cb 0.00 -2.90 -0.09 0.00 -1.68 0.00 0.00 37.83 33.15 3kqj s LYS 287 CO 0.00 0.51 1.19 0.50 -0.76 0.00 0.00 175.35 176.79 3kqj s ARG 288 N -2.41 4.51 0.77 1.68 3.52 -1.26 -4.44 118.95 121.32 3kqj s ARG 288 Ca 0.38 1.95 -0.11 0.00 -0.13 0.00 0.00 55.73 57.83 3kqj s ARG 288 Cb -0.13 -3.16 0.05 0.00 -1.56 0.00 0.00 34.95 30.15 3kqj s ARG 288 CO 0.22 0.01 1.09 -1.25 -0.81 0.00 0.00 175.30 174.57 3kqj s PRO 289 N -1.23 2.27 -0.04 5.12 0.04 -1.26 -4.80 135.00 135.10 3kqj s PRO 289 Ca 0.48 1.19 -0.10 0.00 0.04 0.00 0.00 61.00 62.61 3kqj s PRO 289 Cb -0.35 -1.90 -0.05 0.00 0.04 0.00 0.00 34.50 32.25 3kqj s PRO 289 CO 0.43 -1.64 0.28 0.15 0.04 0.00 0.00 177.00 176.27 3kqj s LYS 290 N -4.85 3.68 0.64 4.56 -0.14 0.10 -0.52 119.74 123.21 3kqj s LYS 290 Ca 0.62 0.12 -0.18 0.00 -1.36 0.00 0.00 55.97 55.17 3kqj s LYS 290 Cb -0.17 -3.18 -0.01 0.00 -1.68 0.00 0.00 37.83 32.78 3kqj s LYS 290 CO 0.55 0.72 1.29 0.00 -0.76 0.00 0.00 175.35 177.14 3kqj s ALA 291 N -1.10 2.40 0.09 5.17 0.00 -0.58 -4.34 121.76 123.39 3kqj s ALA 291 Ca 0.21 1.19 0.02 0.00 0.00 0.00 0.00 51.96 53.39 3kqj s ALA 291 Cb -0.14 -3.54 -0.04 0.00 0.00 0.00 0.00 23.12 19.40 3kqj s ALA 291 CO 0.10 -1.55 -0.08 0.14 0.00 0.00 0.00 175.76 174.37 3kqj s VAL 292 N -1.42 0.75 -0.15 0.00 -7.23 -1.26 -4.86 120.40 106.24 3kqj s VAL 292 Ca 0.82 -1.70 -0.08 0.00 -1.81 0.00 0.00 61.98 59.22 3kqj s VAL 292 Cb -0.37 -1.39 -0.04 0.00 0.56 0.00 0.00 36.38 35.13 3kqj s VAL 292 CO 0.39 -0.69 0.12 0.20 -0.31 0.00 0.00 175.10 174.81 3kqj s ASN 293 N -2.61 6.19 0.02 4.85 0.01 -1.26 -3.45 114.94 118.69 3kqj s ASN 293 Ca 0.06 0.34 0.02 0.00 -0.71 0.00 0.00 52.86 52.57 3kqj s ASN 293 Cb 0.00 -2.02 -0.01 0.00 0.41 0.00 0.00 41.25 39.63 3kqj s ASN 293 CO -0.02 0.32 -0.06 -0.69 -1.51 0.00 0.00 177.10 175.14 3kqj s VAL 294 N -0.49 0.44 -0.11 1.60 1.01 0.14 -4.95 120.40 118.04 3kqj s VAL 294 Ca 0.12 -0.59 -0.01 0.00 0.00 0.00 0.00 61.98 61.50 3kqj s VAL 294 Cb -0.12 -0.44 0.03 0.00 0.00 0.00 0.00 36.38 35.86 3kqj s VAL 294 CO 0.02 -0.11 -0.03 -0.60 0.00 0.00 0.00 175.10 174.38 3kqj s ARG 295 N -0.76 1.05 0.52 2.72 3.52 -1.26 -0.16 118.95 124.58 3kqj s ARG 295 Ca -0.04 -0.17 -0.18 0.00 -0.13 0.00 0.00 55.73 55.21 3kqj s ARG 295 Cb -0.05 -1.47 -0.07 0.00 -1.56 0.00 0.00 34.95 31.79 3kqj s ARG 295 CO 0.00 -0.35 1.02 0.95 -0.81 0.00 0.00 175.30 176.11 3kqj s THR 296 N 1.82 4.11 0.02 4.11 -4.23 -0.05 -4.33 115.64 117.08 3kqj s THR 296 Ca 0.04 1.12 -0.29 0.00 -1.18 0.00 0.00 61.69 61.38 3kqj s THR 296 Cb -0.13 -3.53 0.10 0.00 1.34 0.00 0.00 72.50 70.27 3kqj s THR 296 CO -0.07 -0.47 1.10 0.00 -0.54 0.00 0.00 174.62 174.64 3kqj s ALA 297 N -2.35 -1.94 0.77 3.99 0.00 -0.64 -4.10 121.76 117.50 3kqj s ALA 297 Ca 0.63 0.66 -0.14 0.00 0.00 0.00 0.00 51.96 53.10 3kqj s ALA 297 Cb -0.13 0.40 0.06 0.00 0.00 0.00 0.00 23.12 23.46 3kqj s ALA 297 CO 0.28 -0.93 1.22 -2.14 0.00 0.00 0.00 175.76 174.18 3kqj s PRO 298 N -2.84 1.83 0.43 0.00 0.02 -1.26 -4.32 135.00 128.85 3kqj s PRO 298 Ca 0.11 1.81 -0.24 0.00 0.02 0.00 0.00 61.00 62.70 3kqj s PRO 298 Cb 0.01 -1.79 -0.10 0.00 0.02 0.00 0.00 34.50 32.64 3kqj s PRO 298 CO -0.03 -2.08 1.01 1.58 -0.33 0.00 0.00 177.00 177.15 3kqj n HIS 299 N -3.03 1.17 1.46 6.54 -0.00 -1.26 -1.51 115.22 118.60 3kqj n HIS 299 Ca 0.14 0.55 0.01 0.00 0.46 0.00 0.00 57.72 58.88 3kqj n HIS 299 Cb 0.50 -2.23 0.04 0.00 -0.12 0.00 0.00 29.99 28.18 3kqj n HIS 299 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 3kqj n PRO 300 N 0.09 1.27 -1.30 1.57 -0.04 -1.26 -4.40 135.00 130.93 3kqj n PRO 300 Ca 0.09 -0.33 -0.30 0.00 -0.04 0.00 0.00 63.50 62.93 3kqj n PRO 300 Cb 0.40 -1.21 0.23 0.00 -0.04 0.00 0.00 33.50 32.87 3kqj n PRO 300 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3kqj s ALA 301 N -1.70 1.03 0.15 0.55 0.00 -0.57 -4.37 121.76 116.85 3kqj s ALA 301 Ca 0.06 -1.02 -0.32 0.00 0.00 0.00 0.00 51.96 50.68 3kqj s ALA 301 Cb 0.04 -2.85 -0.11 0.00 0.00 0.00 0.00 23.12 20.19 3kqj s ALA 301 CO 0.03 -3.30 1.79 0.34 0.00 0.00 0.00 175.76 174.62 3kqj n PHE 302 N -4.51 2.65 -2.47 0.00 7.35 -1.26 -4.77 117.46 114.44 3kqj n PHE 302 Ca 0.14 -0.07 -0.41 0.00 -0.76 0.00 0.00 57.45 56.35 3kqj n PHE 302 Cb 0.59 -2.71 -0.04 0.00 0.35 0.00 0.00 39.48 37.68 3kqj n PHE 302 CO 0.00 0.00 0.00 -1.25 -0.76 0.00 0.00 176.76 174.75 3kqj s PRO 303 N 2.16 4.56 0.54 -7.13 0.04 -1.26 -1.61 135.00 132.30 3kqj s PRO 303 Ca 0.80 1.76 0.20 0.00 0.04 0.00 0.00 61.00 63.80 3kqj s PRO 303 Cb -0.50 -3.27 1.43 0.00 0.04 0.00 0.00 34.50 32.21 3kqj s PRO 303 CO 0.36 0.03 2.18 0.00 0.04 0.00 0.00 177.00 179.61 3kqj h THR 304 N 3.73 0.86 0.00 1.26 1.03 -1.92 -0.89 112.91 116.98 3kqj h THR 304 Ca -0.44 -0.00 0.00 0.00 -0.01 0.00 0.00 66.41 65.96 3kqj h THR 304 Cb 1.21 1.00 0.00 0.00 -1.07 0.00 0.00 68.15 69.29 3kqj h THR 304 CO 0.73 0.00 0.00 0.47 -0.01 0.00 0.00 175.52 176.71 3kqj n ASP 305 N -4.34 0.00 -0.42 0.00 8.00 -1.26 -1.37 116.55 117.16 3kqj n ASP 305 Ca -0.03 0.08 0.05 0.00 0.71 0.00 0.00 54.79 55.60 3kqj n ASP 305 Cb 0.09 -0.26 0.05 0.00 -0.02 0.00 0.00 41.12 40.97 3kqj n ASP 305 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 3kqj n MET 306 N -1.26 0.50 -0.13 -1.24 2.81 -0.34 -4.75 117.12 112.70 3kqj n MET 306 Ca 0.06 -1.14 -0.09 0.00 -1.81 0.00 0.00 57.70 54.72 3kqj n MET 306 Cb 0.09 -1.20 -0.01 0.00 -0.71 0.00 0.00 33.22 31.39 3kqj n MET 306 CO 0.00 0.00 0.00 0.37 1.51 0.00 0.00 175.97 177.85 3kqj h GLN 307 N 2.04 0.58 -0.76 0.03 -0.00 -1.23 -1.27 115.11 114.50 3kqj h GLN 307 Ca 0.00 -0.09 -0.04 0.00 -0.00 0.00 0.00 58.65 58.52 3kqj h GLN 307 Cb 0.44 -0.10 -0.03 0.00 0.00 0.00 0.00 27.48 27.78 3kqj h GLN 307 CO 0.00 0.51 0.31 0.00 0.00 0.00 0.00 178.83 179.65 3kqj h ALA 308 N 1.04 1.11 -0.56 3.38 0.00 -1.85 -0.40 119.26 121.98 3kqj h ALA 308 Ca 0.14 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 3kqj h ALA 308 Cb 0.12 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 3kqj h ALA 308 CO -0.02 0.64 0.04 1.96 0.00 0.00 0.00 179.25 181.87 3kqj h GLN 309 N 1.10 0.95 0.00 0.00 7.50 -1.78 -2.04 115.11 120.85 3kqj h GLN 309 Ca 0.26 -0.28 -0.03 0.00 0.50 0.00 0.00 58.65 59.09 3kqj h GLN 309 Cb 0.20 -0.10 -0.00 0.00 0.05 0.00 0.00 27.48 27.63 3kqj h GLN 309 CO -0.02 0.94 -0.15 0.74 -1.50 0.00 0.00 178.83 178.83 3kqj h PHE 310 N 0.84 0.00 -0.07 2.96 -1.00 -0.92 -1.43 116.94 117.32 3kqj h PHE 310 Ca 0.16 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.94 3kqj h PHE 310 Cb 0.48 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.04 3kqj h PHE 310 CO 0.04 0.15 0.03 1.15 -1.61 0.00 0.00 178.31 178.07 3kqj h THR 311 N 0.00 1.13 -0.26 -1.55 2.02 -0.59 0.27 112.91 113.93 3kqj h THR 311 Ca -0.00 -0.38 0.03 0.00 0.77 0.00 0.00 66.41 66.83 3kqj h THR 311 Cb 0.83 1.26 -0.03 0.00 -1.74 0.00 0.00 68.15 68.46 3kqj h THR 311 CO 0.02 0.11 0.06 0.25 0.37 0.00 0.00 175.52 176.33 3kqj h LEU 312 N -0.03 0.03 -0.36 2.58 5.85 -1.05 -0.88 115.31 121.45 3kqj h LEU 312 Ca 0.02 0.04 0.06 0.00 0.84 0.00 0.00 57.88 58.84 3kqj h LEU 312 Cb 0.15 0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.17 3kqj h LEU 312 CO -0.00 0.05 0.00 0.25 -0.34 0.00 0.00 178.44 178.40 3kqj h LEU 313 N 0.16 -0.13 -1.33 2.25 6.46 -0.94 -1.24 115.31 120.54 3kqj h LEU 313 Ca 0.12 0.08 -0.03 0.00 -0.12 0.00 0.00 57.88 57.93 3kqj h LEU 313 Cb 0.11 0.14 -0.02 0.00 -0.73 0.00 0.00 40.66 40.16 3kqj h LEU 313 CO -0.15 -0.03 0.15 0.78 -0.62 0.00 0.00 178.44 178.57 3kqj h ASN 314 N 0.10 0.56 0.49 1.25 2.35 -0.57 -1.50 115.58 118.26 3kqj h ASN 314 Ca 0.17 -0.06 0.00 0.00 -0.55 0.00 0.00 56.30 55.86 3kqj h ASN 314 Cb 0.24 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.46 3kqj h ASN 314 CO -0.29 0.52 0.00 0.18 -1.65 0.00 0.00 177.43 176.19 3kqj n LEU 315 N -4.36 0.00 0.00 1.61 4.77 -0.37 -2.17 117.00 116.48 3kqj n LEU 315 Ca 0.03 0.48 0.00 0.00 -0.03 0.00 0.00 56.01 56.49 3kqj n LEU 315 Cb 0.16 -0.48 0.00 0.00 -2.33 0.00 0.00 43.42 40.77 3kqj n LEU 315 CO 0.38 -0.23 0.34 1.33 -1.33 0.00 0.00 177.39 177.88 3kqj n VAL 316 N -1.48 0.43 -2.17 4.08 0.24 -0.90 -1.32 118.33 117.21 3kqj n VAL 316 Ca 0.04 -0.65 -0.26 0.00 -2.04 0.00 0.00 64.34 61.43 3kqj n VAL 316 Cb 0.17 0.85 0.07 0.00 -1.47 0.00 0.00 33.84 33.46 3kqj n VAL 316 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3kqj s ALA 317 N -0.43 3.11 -0.29 2.33 0.00 -0.61 -4.52 121.76 121.34 3kqj s ALA 317 Ca 0.00 -0.87 -0.26 0.00 0.00 0.00 0.00 51.96 50.82 3kqj s ALA 317 Cb 0.00 -2.65 0.01 0.00 0.00 0.00 0.00 23.12 20.48 3kqj s ALA 317 CO 0.00 -1.31 0.94 -2.00 0.00 0.00 0.00 175.76 173.39 3kqj s GLU 318 N -5.27 4.08 0.03 0.00 2.56 0.33 -3.79 118.70 116.64 3kqj s GLU 318 Ca 0.60 0.94 0.00 0.00 0.00 0.00 0.00 54.97 56.51 3kqj s GLU 318 Cb -0.11 -3.70 0.00 0.00 2.00 0.00 0.00 34.13 32.32 3kqj s GLU 318 CO 0.45 -0.72 0.00 0.41 -0.56 0.00 0.00 175.26 174.84 3kqj n GLY 319 N 3.86 -2.38 3.73 -1.50 0.00 -1.26 -1.52 105.19 106.11 3kqj n GLY 319 Ca 0.08 -2.05 -0.35 0.00 0.00 0.00 0.00 46.02 43.70 3kqj n GLY 319 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kqj s THR 320 N -0.26 4.69 0.04 2.61 2.01 -1.26 -1.52 115.64 121.95 3kqj s THR 320 Ca 0.00 -0.10 -0.07 0.00 0.31 0.00 0.00 61.69 61.83 3kqj s THR 320 Cb 0.00 -3.02 -0.01 0.00 0.01 0.00 0.00 72.50 69.49 3kqj s THR 320 CO 0.00 0.59 0.13 -0.83 -0.69 0.00 0.00 174.62 173.82 3kqj s GLY 321 N -0.72 0.12 0.25 4.40 0.00 -0.26 -4.69 107.32 106.42 3kqj s GLY 321 Ca 0.12 -0.45 0.12 0.00 0.00 0.00 0.00 44.72 44.51 3kqj s GLY 321 CO 0.02 -0.60 -0.21 -0.11 0.00 0.00 0.00 173.10 172.20 3kqj s PHE 322 N -2.57 2.30 -0.12 1.90 -0.12 -1.22 -0.21 117.98 117.93 3kqj s PHE 322 Ca -0.05 -0.34 -0.02 0.00 -0.05 0.00 0.00 56.93 56.47 3kqj s PHE 322 Cb -0.01 -1.05 0.04 0.00 -0.63 0.00 0.00 43.02 41.37 3kqj s PHE 322 CO -0.04 0.64 0.01 0.42 -0.05 0.00 0.00 175.22 176.19 3kqj s ILE 323 N -2.19 0.47 -0.27 -4.49 1.01 -0.32 -0.68 121.20 114.73 3kqj s ILE 323 Ca 0.26 -0.14 -0.12 0.00 0.00 0.00 0.00 60.65 60.66 3kqj s ILE 323 Cb -0.06 -0.74 -0.05 0.00 0.01 0.00 0.00 42.46 41.62 3kqj s ILE 323 CO 0.13 0.11 0.24 -0.89 0.00 0.00 0.00 174.94 174.53 3kqj s THR 324 N 1.92 5.28 -0.41 2.92 2.01 0.77 -1.03 115.64 127.09 3kqj s THR 324 Ca 0.03 0.28 -0.14 0.00 0.31 0.00 0.00 61.69 62.17 3kqj s THR 324 Cb -0.14 -3.57 0.04 0.00 0.01 0.00 0.00 72.50 68.84 3kqj s THR 324 CO -0.06 0.23 0.29 -0.70 -0.69 0.00 0.00 174.62 173.69 3kqj s GLU 325 N 1.78 2.90 0.00 4.92 2.56 0.19 -0.87 118.70 130.18 3kqj s GLU 325 Ca 0.09 -1.14 0.18 0.00 0.00 0.00 0.00 54.97 54.10 3kqj s GLU 325 Cb -0.16 -3.93 -0.10 0.00 2.00 0.00 0.00 34.13 31.94 3kqj s GLU 325 CO 0.10 -0.81 0.84 0.25 -0.56 0.00 0.00 175.26 175.08 3kqj n THR 326 N 5.11 0.00 -0.04 -1.70 -2.24 -1.26 -4.65 114.28 109.51 3kqj n THR 326 Ca -0.11 -0.20 -0.19 0.00 -2.27 0.00 0.00 64.05 61.28 3kqj n THR 326 Cb 0.46 1.11 -0.13 0.00 -2.10 0.00 0.00 70.33 69.66 3kqj n THR 326 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 3kqj n VAL 327 N -0.76 1.67 -4.40 2.28 0.31 -1.26 -4.95 118.33 111.22 3kqj n VAL 327 Ca 0.05 -0.65 -0.26 0.00 -0.01 0.00 0.00 64.34 63.47 3kqj n VAL 327 Cb 0.33 -1.55 -0.13 0.00 -0.91 0.00 0.00 33.84 31.58 3kqj n VAL 327 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 3kqj s PHE 328 N -2.55 1.97 -1.71 3.52 0.40 -1.26 -5.06 117.98 113.29 3kqj s PHE 328 Ca -0.24 -0.40 0.23 0.00 -0.60 0.00 0.00 56.93 55.92 3kqj s PHE 328 Cb 0.07 -1.10 0.18 0.00 0.51 0.00 0.00 43.02 42.69 3kqj s PHE 328 CO 0.73 0.22 1.20 -0.85 0.70 0.00 0.00 175.22 177.22 3kqj n GLU 329 N 1.19 0.82 -2.60 0.44 0.00 -1.23 -4.38 120.64 114.88 3kqj n GLU 329 Ca -0.19 -0.63 -0.14 0.00 0.00 0.00 0.00 57.16 56.21 3kqj n GLU 329 Cb 0.53 -1.49 0.02 0.00 0.00 0.00 0.00 31.44 30.51 3kqj n GLU 329 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 3kqj n ASN 330 N -0.54 2.49 -1.81 -1.84 4.05 -0.19 -4.90 115.26 112.52 3kqj n ASN 330 Ca 0.09 -2.96 -0.20 0.00 0.45 0.00 0.00 54.58 51.96 3kqj n ASN 330 Cb 0.41 -0.50 0.10 0.00 1.23 0.00 0.00 39.78 41.02 3kqj n ASN 330 CO 0.00 0.00 0.00 -1.14 -3.05 0.00 0.00 177.26 173.07 3kqj n ARG 331 N -0.26 2.70 -0.27 1.20 0.63 -1.23 -4.35 116.66 115.09 3kqj n ARG 331 Ca 0.18 -3.56 0.08 0.00 -0.92 0.00 0.00 57.85 53.63 3kqj n ARG 331 Cb 0.78 -2.12 0.15 0.00 0.45 0.00 0.00 32.46 31.73 3kqj n ARG 331 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 3kqj n PHE 332 N -0.93 0.00 0.31 -0.14 0.99 -1.26 -4.77 117.46 111.66 3kqj n PHE 332 Ca 0.46 -1.09 0.19 0.00 -0.00 0.00 0.00 57.45 57.01 3kqj n PHE 332 Cb 0.94 -0.17 0.98 0.00 -1.00 0.00 0.00 39.48 40.23 3kqj n PHE 332 CO 0.00 0.00 0.00 0.52 -0.00 0.00 0.00 176.76 177.28 3kqj h MET 333 N 0.31 0.00 0.00 -1.08 2.86 -2.00 -2.04 114.93 112.98 3kqj h MET 333 Ca -0.00 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.62 3kqj h MET 333 Cb 1.04 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.70 3kqj h MET 333 CO 0.00 0.02 -0.05 1.12 1.06 0.00 0.00 176.91 179.06 3kqj h HIS 334 N 0.00 0.00 -0.08 -0.22 2.07 -1.94 -3.36 115.15 111.62 3kqj h HIS 334 Ca -0.00 0.00 0.01 0.00 -2.85 0.00 0.00 60.37 57.53 3kqj h HIS 334 Cb 0.20 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.17 3kqj h HIS 334 CO 0.00 0.05 0.03 0.28 -3.07 0.00 0.00 177.93 175.22 3kqj h VAL 335 N 0.00 0.99 -0.15 6.12 2.07 -1.74 -0.77 116.25 122.77 3kqj h VAL 335 Ca -0.00 -0.02 -0.02 0.00 0.82 0.00 0.00 66.70 67.47 3kqj h VAL 335 Cb 0.97 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 31.64 3kqj h VAL 335 CO 0.01 0.01 -0.01 -0.65 0.02 0.00 0.00 177.57 176.95 3kqj h PRO 336 N 0.07 0.21 -0.23 1.57 0.11 -1.75 -0.76 132.00 131.22 3kqj h PRO 336 Ca 0.03 -0.03 -0.13 0.00 0.11 0.00 0.00 66.00 65.99 3kqj h PRO 336 Cb 0.01 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 31.08 3kqj h PRO 336 CO -0.03 0.24 -0.36 0.93 -0.21 0.00 0.00 178.00 178.57 3kqj h GLU 337 N 0.20 0.64 -0.01 1.05 4.39 -1.62 -2.68 114.58 116.55 3kqj h GLU 337 Ca 0.05 -0.39 -0.08 0.00 0.34 0.00 0.00 59.36 59.28 3kqj h GLU 337 Cb 0.16 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.83 3kqj h GLU 337 CO 0.00 1.00 -0.39 -0.07 -1.16 0.00 0.00 179.01 178.40 3kqj h LEU 338 N 0.34 0.03 -1.57 1.33 3.38 -0.76 -1.85 115.31 116.21 3kqj h LEU 338 Ca 0.02 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 3kqj h LEU 338 Cb 0.95 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.68 3kqj h LEU 338 CO 0.08 0.41 -0.18 0.28 0.09 0.00 0.00 178.44 179.12 3kqj h SER 339 N 0.02 0.04 0.67 -0.43 0.02 -0.98 0.07 113.55 112.96 3kqj h SER 339 Ca -0.00 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 3kqj h SER 339 Cb 0.69 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.22 3kqj h SER 339 CO 0.05 0.23 0.00 0.03 -1.14 0.00 0.00 176.83 176.00 3kqj h ARG 340 N 0.04 0.00 -0.66 3.45 3.08 -1.00 -1.86 114.38 117.44 3kqj h ARG 340 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 3kqj h ARG 340 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.40 3kqj h ARG 340 CO 0.02 0.00 0.00 -1.33 -1.07 0.00 0.00 179.97 177.59 3kqj n MET 341 N -2.83 3.26 -0.28 0.04 2.81 -0.02 -4.78 117.12 115.31 3kqj n MET 341 Ca 0.00 -2.58 0.00 0.00 -1.81 0.00 0.00 57.70 53.31 3kqj n MET 341 Cb 0.22 -1.76 0.00 0.00 -0.71 0.00 0.00 33.22 30.97 3kqj n MET 341 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3kqj n GLY 342 N 1.22 0.77 3.79 3.03 0.00 -0.70 -0.57 105.19 112.73 3kqj n GLY 342 Ca 0.23 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.92 3kqj n GLY 342 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kqj s ALA 343 N -2.24 2.75 -0.32 4.61 0.00 -1.00 -4.95 121.76 120.60 3kqj s ALA 343 Ca 0.00 0.59 -0.01 0.00 0.00 0.00 0.00 51.96 52.55 3kqj s ALA 343 Cb 0.00 -3.28 0.07 0.00 0.00 0.00 0.00 23.12 19.91 3kqj s ALA 343 CO 0.00 -0.67 0.04 -1.01 0.00 0.00 0.00 175.76 174.11 3kqj s HIS 344 N -2.10 3.41 0.01 0.00 0.09 -1.26 -4.50 115.29 110.93 3kqj s HIS 344 Ca 0.68 -2.21 -0.08 0.00 -0.00 0.00 0.00 55.06 53.45 3kqj s HIS 344 Cb -0.19 -2.45 0.00 0.00 -0.00 0.00 0.00 32.58 29.94 3kqj s HIS 344 CO 0.29 -0.87 0.15 0.00 -0.00 0.00 0.00 174.74 174.31 3kqj s ALA 345 N 1.16 -0.33 -0.02 -1.40 0.00 -1.26 -1.40 121.76 118.51 3kqj s ALA 345 Ca -0.00 -0.19 0.02 0.00 0.00 0.00 0.00 51.96 51.79 3kqj s ALA 345 Cb -0.20 0.16 0.00 0.00 0.00 0.00 0.00 23.12 23.07 3kqj s ALA 345 CO -0.03 -0.25 -0.08 -1.21 0.00 0.00 0.00 175.76 174.18 3kqj s GLU 346 N -1.74 0.88 -0.22 0.00 8.01 -0.35 -4.97 118.70 120.31 3kqj s GLU 346 Ca -0.12 -0.29 -0.11 0.00 0.01 0.00 0.00 54.97 54.47 3kqj s GLU 346 Cb -0.06 -0.84 -0.05 0.00 -4.31 0.00 0.00 34.13 28.88 3kqj s GLU 346 CO 0.00 0.11 0.18 0.42 0.01 0.00 0.00 175.26 175.98 3kqj s ILE 347 N 0.16 5.36 -0.37 -1.63 1.01 -1.26 0.11 121.20 124.58 3kqj s ILE 347 Ca -0.02 0.24 0.02 0.00 0.00 0.00 0.00 60.65 60.89 3kqj s ILE 347 Cb -0.08 -3.51 0.11 0.00 0.01 0.00 0.00 42.46 38.99 3kqj s ILE 347 CO 0.00 0.37 0.12 -1.61 0.00 0.00 0.00 174.94 173.83 3kqj s GLU 348 N 0.83 1.26 7.52 2.79 2.02 0.96 -5.00 118.70 129.08 3kqj s GLU 348 Ca 0.09 -1.73 0.00 0.00 0.02 0.00 0.00 54.97 53.35 3kqj s GLU 348 Cb -0.13 -2.67 0.00 0.00 0.10 0.00 0.00 34.13 31.43 3kqj s GLU 348 CO 0.03 -1.01 0.00 0.45 0.02 0.00 0.00 175.26 174.74 3kqj n SER 349 N 4.19 0.00 -0.80 -0.19 2.88 -1.26 -1.33 113.62 117.11 3kqj n SER 349 Ca 0.03 0.00 0.05 0.00 -1.33 0.00 0.00 58.87 57.62 3kqj n SER 349 Cb 0.39 0.00 0.16 0.00 -0.75 0.00 0.00 64.21 64.02 3kqj n SER 349 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 3kqj n ASN 350 N 8.10 2.28 -4.16 -3.46 6.94 -1.26 -4.86 115.26 118.84 3kqj n ASN 350 Ca 0.00 -2.14 -0.25 0.00 -0.02 0.00 0.00 54.58 52.17 3kqj n ASN 350 Cb 0.00 -0.34 -0.16 0.00 -2.36 0.00 0.00 39.78 36.92 3kqj n ASN 350 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 3kqj s THR 351 N -1.63 1.42 -0.19 5.53 2.01 -0.44 -0.64 115.64 121.70 3kqj s THR 351 Ca 0.24 -0.74 -0.06 0.00 0.31 0.00 0.00 61.69 61.44 3kqj s THR 351 Cb 0.14 -1.19 -0.03 0.00 0.01 0.00 0.00 72.50 71.43 3kqj s THR 351 CO 0.13 0.40 0.02 0.54 -0.69 0.00 0.00 174.62 175.02 3kqj s VAL 352 N -0.23 4.22 -0.26 3.82 0.11 -0.20 -0.02 120.40 127.84 3kqj s VAL 352 Ca 0.02 -0.23 -0.15 0.00 -2.93 0.00 0.00 61.98 58.70 3kqj s VAL 352 Cb -0.09 -2.90 -0.04 0.00 -1.53 0.00 0.00 36.38 31.82 3kqj s VAL 352 CO 0.00 0.44 0.38 -0.63 -3.33 0.00 0.00 175.10 171.96 3kqj s ILE 353 N 0.74 5.18 -0.07 7.04 -1.09 0.12 -1.17 121.20 131.94 3kqj s ILE 353 Ca 0.01 0.58 0.01 0.00 -2.23 0.00 0.00 60.65 59.03 3kqj s ILE 353 Cb -0.14 -3.70 -0.03 0.00 -1.58 0.00 0.00 42.46 37.01 3kqj s ILE 353 CO 0.02 0.16 -0.09 0.00 -1.23 0.00 0.00 174.94 173.81 3kqj s HIS 355 N -0.77 2.38 0.45 0.00 3.76 -0.49 -1.10 115.29 119.53 3kqj s HIS 355 Ca 0.12 -1.95 -0.25 0.00 -0.15 0.00 0.00 55.06 52.83 3kqj s HIS 355 Cb -0.11 -1.86 -0.08 0.00 1.11 0.00 0.00 32.58 31.64 3kqj s HIS 355 CO 0.01 -0.83 1.37 0.20 -0.85 0.00 0.00 174.74 174.64 3kqj s GLY 356 N 1.39 2.91 0.24 -2.22 0.00 -0.57 -4.14 107.32 104.92 3kqj s GLY 356 Ca 0.03 1.35 0.11 0.00 0.00 0.00 0.00 44.72 46.21 3kqj s GLY 356 CO -0.12 1.94 -0.18 -1.34 0.00 0.00 0.00 173.10 173.39 3kqj s VAL 357 N -1.25 2.63 0.14 1.40 -7.23 -0.44 -4.65 120.40 111.00 3kqj s VAL 357 Ca 0.62 -2.13 -0.17 0.00 -1.81 0.00 0.00 61.98 58.48 3kqj s VAL 357 Cb -0.41 -2.34 -0.02 0.00 0.56 0.00 0.00 36.38 34.18 3kqj s VAL 357 CO 0.52 -0.26 1.77 -0.08 -0.31 0.00 0.00 175.10 176.73 3kqj h GLU 358 N 2.63 0.45 -2.98 4.82 4.57 -1.88 -3.39 114.58 118.81 3kqj h GLU 358 Ca -0.43 -0.04 -0.13 0.00 -1.18 0.00 0.00 59.36 57.57 3kqj h GLU 358 Cb 1.23 -0.10 -0.23 0.00 -0.16 0.00 0.00 28.75 29.50 3kqj h GLU 358 CO 0.55 0.34 -0.31 -1.59 -1.18 0.00 0.00 179.01 176.82 3kqj s LYS 359 N -6.02 0.50 0.55 1.92 -2.85 -1.26 -5.02 119.74 107.56 3kqj s LYS 359 Ca -0.13 0.19 -0.03 0.00 -1.00 0.00 0.00 55.97 55.00 3kqj s LYS 359 Cb 0.10 0.23 0.01 0.00 -2.06 0.00 0.00 37.83 36.11 3kqj s LYS 359 CO 0.72 -0.10 0.82 -0.51 0.10 0.00 0.00 175.35 176.38 3kqj s LEU 360 N -0.44 3.34 -0.04 2.77 1.43 -1.26 -4.96 118.68 119.51 3kqj s LEU 360 Ca -0.06 0.47 0.05 0.00 -1.03 0.00 0.00 54.13 53.56 3kqj s LEU 360 Cb -0.04 -3.30 -0.02 0.00 0.03 0.00 0.00 46.19 42.86 3kqj s LEU 360 CO 0.02 -1.00 -0.18 -0.44 0.23 0.00 0.00 176.35 174.98 3kqj s SER 361 N -4.31 3.70 0.56 2.29 0.01 0.27 -0.64 113.70 115.58 3kqj s SER 361 Ca 0.53 -0.29 -0.21 0.00 1.31 0.00 0.00 55.95 57.28 3kqj s SER 361 Cb -0.10 -0.73 -0.04 0.00 0.21 0.00 0.00 66.02 65.35 3kqj s SER 361 CO 0.42 0.33 1.37 0.61 0.41 0.00 0.00 173.24 176.37 3kqj n GLY 362 N 2.42 0.79 3.76 3.44 0.00 0.11 -4.41 105.19 111.30 3kqj n GLY 362 Ca -0.17 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.78 3kqj n GLY 362 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kqj s ALA 363 N -1.29 -1.34 -0.30 4.61 0.00 -1.05 -4.80 121.76 117.58 3kqj s ALA 363 Ca 0.73 -0.09 -0.23 0.00 0.00 0.00 0.00 51.96 52.37 3kqj s ALA 363 Cb -0.41 0.83 -0.00 0.00 0.00 0.00 0.00 23.12 23.54 3kqj s ALA 363 CO 0.48 -0.98 0.78 -0.65 0.00 0.00 0.00 175.76 175.39 3kqj s GLN 364 N -3.82 3.97 0.23 0.00 -0.21 -1.26 -1.97 119.66 116.60 3kqj s GLN 364 Ca 0.09 0.59 0.09 0.00 0.02 0.00 0.00 55.36 56.15 3kqj s GLN 364 Cb -0.05 -3.72 -0.05 0.00 1.00 0.00 0.00 33.01 30.19 3kqj s GLN 364 CO 0.02 -0.66 -0.16 0.14 -2.12 0.00 0.00 175.29 172.51 3kqj s VAL 365 N 2.93 1.95 -0.19 1.09 -7.23 0.17 -4.96 120.40 114.17 3kqj s VAL 365 Ca 0.32 -2.27 -0.01 0.00 -1.81 0.00 0.00 61.98 58.21 3kqj s VAL 365 Cb -0.14 -2.13 0.00 0.00 0.56 0.00 0.00 36.38 34.67 3kqj s VAL 365 CO 0.12 -0.53 -0.12 -0.32 -0.31 0.00 0.00 175.10 173.93 3kqj s MET 366 N -3.61 3.22 0.15 4.82 1.75 -1.26 -0.77 119.30 123.60 3kqj s MET 366 Ca 0.25 -0.72 -0.30 0.00 -1.25 0.00 0.00 55.69 53.66 3kqj s MET 366 Cb -0.02 -2.76 -0.08 0.00 2.84 0.00 0.00 34.83 34.81 3kqj s MET 366 CO 0.09 -0.13 1.23 0.00 -0.65 0.00 0.00 175.02 175.56 3kqj s ALA 367 N 1.20 3.45 -0.12 4.11 0.00 -0.57 -4.91 121.76 124.92 3kqj s ALA 367 Ca 0.02 0.96 0.07 0.00 0.00 0.00 0.00 51.96 53.01 3kqj s ALA 367 Cb -0.14 -3.44 -0.09 0.00 0.00 0.00 0.00 23.12 19.44 3kqj s ALA 367 CO -0.05 -0.43 0.20 0.25 0.00 0.00 0.00 175.76 175.73 3kqj n THR 368 N 2.99 0.00 -3.81 0.00 -2.24 -1.26 -4.79 114.28 105.17 3kqj n THR 368 Ca 0.06 -0.22 -0.03 0.00 -2.27 0.00 0.00 64.05 61.59 3kqj n THR 368 Cb 0.45 0.58 0.00 0.00 -2.10 0.00 0.00 70.33 69.26 3kqj n THR 368 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 3kqj s ASP 369 N -2.36 -0.07 0.06 3.42 1.47 -1.26 -4.65 116.67 113.27 3kqj s ASP 369 Ca -0.01 -0.52 -0.25 0.00 1.18 0.00 0.00 52.55 52.96 3kqj s ASP 369 Cb 0.05 0.46 -0.12 0.00 -0.34 0.00 0.00 42.92 42.97 3kqj s ASP 369 CO 0.28 -0.89 1.39 0.25 0.68 0.00 0.00 175.17 176.88 3kqj h LEU 370 N 2.00 -0.98 -1.30 2.11 5.85 -1.98 -0.25 115.31 120.76 3kqj h LEU 370 Ca -0.26 0.08 -0.07 0.00 0.84 0.00 0.00 57.88 58.47 3kqj h LEU 370 Cb 1.22 0.32 -0.01 0.00 0.37 0.00 0.00 40.66 42.56 3kqj h LEU 370 CO 0.31 -0.47 -0.31 0.03 -0.34 0.00 0.00 178.44 177.66 3kqj h ARG 371 N -0.71 0.00 -0.43 1.25 2.47 -1.92 -2.55 114.38 112.49 3kqj h ARG 371 Ca -0.05 0.00 -0.08 0.00 -1.26 0.00 0.00 59.98 58.59 3kqj h ARG 371 Cb 0.62 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.92 3kqj h ARG 371 CO -0.04 0.31 -0.06 0.00 0.56 0.00 0.00 179.97 180.74 3kqj h ALA 372 N 1.69 0.59 -0.87 0.04 0.00 -1.93 -1.91 119.26 116.87 3kqj h ALA 372 Ca -0.00 -0.30 0.03 0.00 0.00 0.00 0.00 54.91 54.63 3kqj h ALA 372 Cb 0.67 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.25 3kqj h ALA 372 CO 0.04 0.44 0.57 0.66 0.00 0.00 0.00 179.25 180.95 3kqj h SER 373 N 0.64 0.95 -0.60 0.00 4.64 -0.62 0.11 113.55 118.67 3kqj h SER 373 Ca 0.12 -0.01 -0.09 0.00 -0.47 0.00 0.00 61.79 61.33 3kqj h SER 373 Cb 0.58 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 62.42 3kqj h SER 373 CO 0.03 0.67 0.01 0.00 -0.87 0.00 0.00 176.83 176.67 3kqj h ALA 374 N 1.35 0.87 -0.69 5.18 0.00 -1.37 -2.04 119.26 122.56 3kqj h ALA 374 Ca 0.34 -0.31 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 3kqj h ALA 374 Cb -0.04 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 3kqj h ALA 374 CO -0.10 0.67 0.16 0.77 0.00 0.00 0.00 179.25 180.74 3kqj h SER 375 N 0.97 1.04 -0.10 0.00 0.02 -0.50 -1.14 113.55 113.84 3kqj h SER 375 Ca 0.17 -0.22 -0.13 0.00 -0.84 0.00 0.00 61.79 60.77 3kqj h SER 375 Cb 0.54 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.80 3kqj h SER 375 CO 0.03 1.01 -0.39 -0.07 -1.14 0.00 0.00 176.83 176.27 3kqj h LEU 376 N 1.04 0.66 -0.35 5.07 3.38 -0.78 -0.21 115.31 124.12 3kqj h LEU 376 Ca 0.22 -0.29 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 3kqj h LEU 376 Cb 0.38 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 3kqj h LEU 376 CO 0.00 0.98 0.11 0.58 0.09 0.00 0.00 178.44 180.21 3kqj h VAL 377 N 0.52 1.20 -0.85 1.22 2.07 -1.08 0.39 116.25 119.73 3kqj h VAL 377 Ca 0.05 -0.66 -0.02 0.00 0.82 0.00 0.00 66.70 66.89 3kqj h VAL 377 Cb 0.90 0.98 -0.04 0.00 -1.52 0.00 0.00 31.29 31.61 3kqj h VAL 377 CO 0.08 0.23 0.45 -0.07 0.02 0.00 0.00 177.57 178.27 3kqj h LEU 378 N 0.41 1.08 -0.72 2.57 3.38 -1.01 -1.48 115.31 119.54 3kqj h LEU 378 Ca 0.11 -0.11 0.01 0.00 0.09 0.00 0.00 57.88 57.99 3kqj h LEU 378 Cb 0.24 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.68 3kqj h LEU 378 CO -0.00 0.88 0.47 0.00 0.09 0.00 0.00 178.44 179.88 3kqj h ALA 379 N 1.24 0.92 -0.88 1.53 0.00 -0.63 -1.95 119.26 119.49 3kqj h ALA 379 Ca 0.30 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.19 3kqj h ALA 379 Cb 0.06 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 17.53 3kqj h ALA 379 CO -0.04 0.30 0.58 0.78 0.00 0.00 0.00 179.25 180.87 3kqj h GLY 380 N 0.94 1.25 1.44 0.00 0.00 -0.11 -0.50 103.07 106.10 3kqj h GLY 380 Ca 0.27 -0.45 -0.03 0.00 0.00 0.00 0.00 47.33 47.12 3kqj h GLY 380 CO -0.07 0.42 0.19 0.00 0.00 0.00 0.00 176.54 177.08 3kqj n ILE 382 N -4.34 0.00 -1.57 0.00 -5.35 -0.99 -0.45 119.36 106.66 3kqj n ILE 382 Ca 0.04 -0.08 -0.31 0.00 -0.27 0.00 0.00 62.75 62.13 3kqj n ILE 382 Cb 0.16 1.02 0.05 0.00 -1.74 0.00 0.00 39.64 39.14 3kqj n ILE 382 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3kqj s ALA 383 N -2.83 2.65 -0.31 -1.28 0.00 -0.23 -4.53 121.76 115.24 3kqj s ALA 383 Ca 0.12 0.11 -0.24 0.00 0.00 0.00 0.00 51.96 51.95 3kqj s ALA 383 Cb 0.17 -3.18 0.00 0.00 0.00 0.00 0.00 23.12 20.11 3kqj s ALA 383 CO 0.76 -1.25 0.81 -2.00 0.00 0.00 0.00 175.76 174.08 3kqj s GLU 384 N -5.00 3.97 0.00 0.00 2.56 0.19 -1.74 118.70 118.68 3kqj s GLU 384 Ca 0.58 0.62 0.00 0.00 0.00 0.00 0.00 54.97 56.17 3kqj s GLU 384 Cb -0.14 -3.73 0.00 0.00 2.00 0.00 0.00 34.13 32.26 3kqj s GLU 384 CO 0.54 -0.70 0.00 0.41 -0.56 0.00 0.00 175.26 174.96 3kqj n GLY 385 N 4.17 -0.39 3.67 -1.50 0.00 -0.54 -0.71 105.19 109.90 3kqj n GLY 385 Ca 0.04 -1.88 -0.35 0.00 0.00 0.00 0.00 46.02 43.83 3kqj n GLY 385 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kqj s THR 386 N 0.00 5.11 -0.05 2.61 2.01 -1.26 -0.72 115.64 123.34 3kqj s THR 386 Ca 0.00 0.08 0.06 0.00 0.31 0.00 0.00 61.69 62.15 3kqj s THR 386 Cb 0.00 -3.33 -0.01 0.00 0.01 0.00 0.00 72.50 69.17 3kqj s THR 386 CO 0.00 0.44 -0.25 -0.89 -0.69 0.00 0.00 174.62 173.23 3kqj s THR 387 N 0.47 2.01 -0.18 -0.82 2.01 -0.00 -2.52 115.64 116.60 3kqj s THR 387 Ca 0.06 -1.05 0.01 0.00 0.31 0.00 0.00 61.69 61.01 3kqj s THR 387 Cb -0.12 -1.69 0.03 0.00 0.01 0.00 0.00 72.50 70.73 3kqj s THR 387 CO -0.00 0.56 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.66 3kqj s VAL 388 N -0.26 1.75 -0.34 3.82 1.01 -0.83 -0.19 120.40 125.35 3kqj s VAL 388 Ca -0.00 -0.91 -0.13 0.00 0.00 0.00 0.00 61.98 60.94 3kqj s VAL 388 Cb -0.13 -1.71 -0.02 0.00 0.00 0.00 0.00 36.38 34.53 3kqj s VAL 388 CO 0.02 0.34 0.25 -0.69 0.00 0.00 0.00 175.10 175.03 3kqj s VAL 389 N 1.38 5.28 0.49 2.92 1.01 0.01 -0.66 120.40 130.82 3kqj s VAL 389 Ca 0.02 -0.22 -0.05 0.00 0.00 0.00 0.00 61.98 61.73 3kqj s VAL 389 Cb -0.15 -3.73 -0.03 0.00 0.00 0.00 0.00 36.38 32.47 3kqj s VAL 389 CO -0.10 -0.03 0.79 -0.62 0.00 0.00 0.00 175.10 175.14 3kqj s ASP 390 N 1.72 6.19 -1.39 3.32 2.15 0.05 -1.59 116.67 127.12 3kqj s ASP 390 Ca 0.06 0.88 -0.07 0.00 0.43 0.00 0.00 52.55 53.86 3kqj s ASP 390 Cb -0.17 -2.17 0.03 0.00 -0.30 0.00 0.00 42.92 40.31 3kqj s ASP 390 CO 0.11 -0.62 0.92 0.54 -0.17 0.00 0.00 175.17 175.95 3kqj n ARG 391 N -2.28 -5.88 0.00 4.34 1.74 -1.20 -1.52 116.66 111.87 3kqj n ARG 391 Ca 0.01 0.67 0.08 0.00 -0.77 0.00 0.00 57.85 57.84 3kqj n ARG 391 Cb 0.55 -5.50 0.41 0.00 -1.02 0.00 0.00 32.46 26.90 3kqj n ARG 391 CO 0.00 0.00 0.00 0.44 -1.52 0.00 0.00 177.63 176.55 3kqj n ILE 392 N -4.54 0.44 0.07 0.55 -5.35 -1.17 -2.78 119.36 106.58 3kqj n ILE 392 Ca -0.12 0.11 0.18 0.00 -0.27 0.00 0.00 62.75 62.65 3kqj n ILE 392 Cb 0.60 -0.86 0.71 0.00 -1.74 0.00 0.00 39.64 38.35 3kqj n ILE 392 CO 0.00 0.00 0.00 0.10 -1.76 0.00 0.00 176.55 174.89 3kqj h TYR 393 N 0.00 0.00 -0.98 4.28 -0.00 -1.89 0.61 116.97 118.98 3kqj h TYR 393 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 58.73 58.84 3kqj h TYR 393 Cb 0.11 0.00 -0.08 0.00 0.00 0.00 0.00 36.73 36.76 3kqj h TYR 393 CO 0.00 0.00 0.63 0.45 -0.00 0.00 0.00 178.16 179.24 3kqj h HIS 394 N 0.00 1.11 -0.01 0.10 3.86 -1.88 -2.22 115.15 116.11 3kqj h HIS 394 Ca 0.19 0.03 -0.05 0.00 -1.16 0.00 0.00 60.37 59.38 3kqj h HIS 394 Cb 0.81 -0.35 -0.01 0.00 1.06 0.00 0.00 27.41 28.92 3kqj h HIS 394 CO 0.00 0.47 -0.24 0.97 0.86 0.00 0.00 177.93 179.98 3kqj h ILE 395 N 0.99 1.18 0.00 2.45 2.10 -1.14 -2.64 117.51 120.45 3kqj h ILE 395 Ca 0.48 -0.85 0.00 0.00 1.08 0.00 0.00 64.86 65.56 3kqj h ILE 395 Cb 0.45 1.45 0.00 0.00 -1.09 0.00 0.00 36.82 37.63 3kqj h ILE 395 CO -0.24 0.24 0.00 0.47 -1.08 0.00 0.00 178.15 177.55 3kqj n ASP 396 N -4.24 0.65 0.15 2.19 8.00 -0.84 -1.73 116.55 120.73 3kqj n ASP 396 Ca -0.02 0.70 0.02 0.00 0.71 0.00 0.00 54.79 56.19 3kqj n ASP 396 Cb 0.30 -0.82 0.20 0.00 -0.02 0.00 0.00 41.12 40.78 3kqj n ASP 396 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 3kqj h ARG 397 N 0.00 0.00 0.00 -1.24 3.08 -1.56 -0.80 114.38 113.86 3kqj h ARG 397 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3kqj h ARG 397 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.31 3kqj h ARG 397 CO 0.00 0.54 0.00 0.41 -1.07 0.00 0.00 179.97 179.85 3kqj n GLY 398 N 0.46 0.09 2.95 0.04 0.00 -1.00 -4.11 105.19 103.62 3kqj n GLY 398 Ca -0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 3kqj n GLY 398 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kqj s TYR 399 N -0.06 1.70 -0.21 1.61 1.51 -0.71 -4.84 117.35 116.36 3kqj s TYR 399 Ca 0.00 -0.88 -0.25 0.00 -1.01 0.00 0.00 57.07 54.94 3kqj s TYR 399 Cb 0.00 -1.34 -0.01 0.00 -0.11 0.00 0.00 41.96 40.50 3kqj s TYR 399 CO 0.00 -0.55 0.81 -2.00 -1.11 0.00 0.00 175.55 172.71 3kqj s GLU 400 N 1.57 4.23 -1.48 -0.62 2.12 -1.26 -4.19 118.70 119.07 3kqj s GLU 400 Ca 0.04 0.95 -0.08 0.00 0.36 0.00 0.00 54.97 56.23 3kqj s GLU 400 Cb -0.13 -3.61 0.06 0.00 0.26 0.00 0.00 34.13 30.71 3kqj s GLU 400 CO -0.08 -0.42 0.74 0.54 -0.54 0.00 0.00 175.26 175.50 3kqj n ARG 401 N 5.60 -4.39 0.22 4.30 1.74 -1.26 -4.85 116.66 118.02 3kqj n ARG 401 Ca 0.05 0.51 0.05 0.00 -0.77 0.00 0.00 57.85 57.69 3kqj n ARG 401 Cb 0.48 -5.11 0.48 0.00 -1.02 0.00 0.00 32.46 27.30 3kqj n ARG 401 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 3kqj h ILE 402 N -1.87 1.11 0.13 0.55 2.10 -1.96 -0.45 117.51 117.12 3kqj h ILE 402 Ca -0.60 -0.80 -0.01 0.00 1.08 0.00 0.00 64.86 64.53 3kqj h ILE 402 Cb 1.37 1.44 0.00 0.00 -1.09 0.00 0.00 36.82 38.54 3kqj h ILE 402 CO 0.66 0.22 -0.06 -0.08 -1.08 0.00 0.00 178.15 177.81 3kqj h GLU 403 N 0.00 -0.16 -0.54 2.19 4.81 -1.94 0.12 114.58 119.06 3kqj h GLU 403 Ca -0.00 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.22 3kqj h GLU 403 Cb 0.42 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.81 3kqj h GLU 403 CO 0.03 -0.02 0.26 -0.44 -0.73 0.00 0.00 179.01 178.10 3kqj h ASP 404 N -0.27 0.72 -0.65 1.04 3.45 -1.83 -0.84 116.42 118.04 3kqj h ASP 404 Ca -0.02 -0.13 -0.08 0.00 0.43 0.00 0.00 57.03 57.23 3kqj h ASP 404 Cb 0.21 -0.18 -0.03 0.00 -0.56 0.00 0.00 39.33 38.78 3kqj h ASP 404 CO 0.03 0.65 0.09 0.11 -1.57 0.00 0.00 179.24 178.55 3kqj h LYS 405 N 0.73 1.08 -0.40 3.56 1.57 -0.91 -1.56 116.57 120.65 3kqj h LYS 405 Ca 0.19 -0.30 -0.15 0.00 -1.87 0.00 0.00 60.65 58.52 3kqj h LYS 405 Cb 0.13 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 3kqj h LYS 405 CO -0.02 1.00 -0.35 -0.07 -0.57 0.00 0.00 179.45 179.44 3kqj h LEU 406 N 1.00 0.98 -0.97 2.94 3.38 -0.61 -2.93 115.31 119.11 3kqj h LEU 406 Ca 0.20 -0.43 0.05 0.00 0.09 0.00 0.00 57.88 57.78 3kqj h LEU 406 Cb 0.46 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 40.87 3kqj h LEU 406 CO 0.02 1.23 0.63 -0.09 0.09 0.00 0.00 178.44 180.31 3kqj h ARG 407 N 0.77 1.15 0.00 1.13 2.43 -0.92 0.29 114.38 119.23 3kqj h ARG 407 Ca 0.07 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3kqj h ARG 407 Cb 0.93 -0.26 0.00 0.00 -0.42 0.00 0.00 29.97 30.22 3kqj h ARG 407 CO 0.09 0.76 0.00 0.00 -1.51 0.00 0.00 179.97 179.31 3kqj h ALA 408 N 1.42 1.00 -0.02 2.80 0.00 -1.11 -0.85 119.26 122.49 3kqj h ALA 408 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.31 3kqj h ALA 408 Cb 0.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3kqj h ALA 408 CO -0.15 0.00 -0.09 1.28 0.00 0.00 0.00 179.25 180.30 3kqj n LEU 409 N -2.68 2.36 0.00 0.00 4.77 0.00 -4.77 117.00 116.68 3kqj n LEU 409 Ca -0.00 -0.79 0.00 0.00 -0.03 0.00 0.00 56.01 55.18 3kqj n LEU 409 Cb 0.18 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 3kqj n LEU 409 CO 0.20 0.40 0.00 0.61 -1.33 0.00 0.00 177.39 177.27 3kqj n GLY 410 N 1.32 0.88 3.78 -0.72 0.00 -0.33 -1.23 105.19 108.90 3kqj n GLY 410 Ca 0.14 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.80 3kqj n GLY 410 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kqj s ALA 411 N -2.00 2.97 -0.53 4.61 0.00 -0.67 -4.79 121.76 121.35 3kqj s ALA 411 Ca 0.00 0.77 -0.08 0.00 0.00 0.00 0.00 51.96 52.65 3kqj s ALA 411 Cb 0.00 -3.31 0.14 0.00 0.00 0.00 0.00 23.12 19.95 3kqj s ALA 411 CO 0.00 -0.42 0.40 1.21 0.00 0.00 0.00 175.76 176.94 3kqj s ASN 412 N -1.60 5.71 0.01 0.00 3.84 -1.26 -4.40 114.94 117.24 3kqj s ASN 412 Ca 0.63 -2.17 0.02 0.00 0.21 0.00 0.00 52.86 51.54 3kqj s ASN 412 Cb -0.23 -1.99 -0.01 0.00 -0.55 0.00 0.00 41.25 38.46 3kqj s ASN 412 CO 0.28 -0.62 -0.05 -0.51 -2.79 0.00 0.00 177.10 173.41 3kqj s ILE 413 N 0.97 0.40 -0.02 -5.21 2.07 -1.26 -1.18 121.20 116.97 3kqj s ILE 413 Ca 0.09 -0.53 0.00 0.00 -1.41 0.00 0.00 60.65 58.81 3kqj s ILE 413 Cb -0.23 -0.40 0.02 0.00 0.13 0.00 0.00 42.46 41.98 3kqj s ILE 413 CO -0.02 -0.10 0.00 -0.70 -1.91 0.00 0.00 174.94 172.21 3kqj s GLU 414 N -0.67 0.22 -0.31 3.50 2.12 -0.19 -4.98 118.70 118.39 3kqj s GLU 414 Ca -0.03 0.08 -0.22 0.00 0.36 0.00 0.00 54.97 55.16 3kqj s GLU 414 Cb -0.05 -0.39 -0.00 0.00 0.26 0.00 0.00 34.13 33.95 3kqj s GLU 414 CO -0.00 -0.12 0.71 0.50 -0.54 0.00 0.00 175.26 175.81 3kqj s ARG 415 N 0.87 3.91 -0.26 4.30 3.52 -1.26 -0.40 118.95 129.63 3kqj s ARG 415 Ca -0.08 0.41 -0.09 0.00 -0.13 0.00 0.00 55.73 55.84 3kqj s ARG 415 Cb -0.12 -3.74 -0.04 0.00 -1.56 0.00 0.00 34.95 29.50 3kqj s ARG 415 CO -0.02 -0.64 0.12 0.14 -0.81 0.00 0.00 175.30 174.09 3kqj s VAL 416 N 2.79 4.71 -0.23 7.11 -7.23 0.30 -4.95 120.40 122.91 3kqj s VAL 416 Ca 0.29 -0.03 -0.20 0.00 -1.81 0.00 0.00 61.98 60.22 3kqj s VAL 416 Cb -0.14 -3.22 -0.02 0.00 0.56 0.00 0.00 36.38 33.55 3kqj s VAL 416 CO 0.13 0.31 0.62 -0.54 -0.31 0.00 0.00 175.10 175.31 3kqj s LYS 417 N 1.62 4.15 -0.16 4.82 1.02 -1.26 -1.61 119.74 128.31 3kqj s LYS 417 Ca 0.06 0.56 -0.05 0.00 0.02 0.00 0.00 55.97 56.56 3kqj s LYS 417 Cb -0.15 -3.62 0.01 0.00 -0.52 0.00 0.00 37.83 33.54 3kqj s LYS 417 CO 0.06 -0.34 0.22 0.41 -0.92 0.00 0.00 175.35 174.78 3kqj n GLY 418 N 4.02 -0.89 2.73 -3.33 0.00 -1.25 -4.98 105.19 101.50 3kqj n GLY 418 Ca -0.01 0.35 0.00 0.00 0.00 0.00 0.00 46.02 46.36 3kqj n GLY 418 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50