#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qvy n PRO 68 N 0.00 0.83 -0.20 7.34 -0.02 -1.26 -4.92 135.00 136.78 1qvy n PRO 68 Ca 0.00 0.34 -0.08 0.00 -2.02 0.00 0.00 63.50 61.74 1qvy n PRO 68 Cb 0.00 -2.45 0.02 0.00 -0.02 0.00 0.00 33.50 31.05 1qvy n PRO 68 CO 0.00 0.00 0.00 -0.97 1.98 0.00 0.00 175.50 176.51 1qvy h ASN 69 N 0.14 0.80 -3.45 2.55 -1.24 -1.98 -3.41 115.58 108.98 1qvy h ASN 69 Ca -0.49 -0.19 -0.64 0.00 0.71 0.00 0.00 56.30 55.68 1qvy h ASN 69 Cb 1.33 -0.21 -0.22 0.00 0.73 0.00 0.00 38.32 39.96 1qvy h ASN 69 CO 0.51 0.78 -0.64 -0.69 -1.29 0.00 0.00 177.43 176.09 1qvy s VAL 70 N -5.46 4.15 -0.12 2.57 1.01 -1.26 -0.62 120.40 120.68 1qvy s VAL 70 Ca -0.13 -0.24 0.01 0.00 0.00 0.00 0.00 61.98 61.62 1qvy s VAL 70 Cb 0.12 -2.89 0.02 0.00 0.00 0.00 0.00 36.38 33.64 1qvy s VAL 70 CO 0.79 0.42 -0.12 -0.69 0.00 0.00 0.00 175.10 175.50 1qvy s VAL 71 N 1.00 1.31 -0.17 2.92 1.01 -0.76 -4.98 120.40 120.74 1qvy s VAL 71 Ca 0.02 -0.50 -0.18 0.00 0.00 0.00 0.00 61.98 61.33 1qvy s VAL 71 Cb -0.14 -1.25 -0.04 0.00 0.00 0.00 0.00 36.38 34.95 1qvy s VAL 71 CO 0.02 0.41 0.48 -0.69 0.00 0.00 0.00 175.10 175.33 1qvy s VAL 72 N 1.34 5.15 -0.04 2.92 1.01 -1.26 -0.53 120.40 129.00 1qvy s VAL 72 Ca -0.00 0.92 0.07 0.00 0.00 0.00 0.00 61.98 62.96 1qvy s VAL 72 Cb -0.14 -3.81 -0.10 0.00 0.00 0.00 0.00 36.38 32.33 1qvy s VAL 72 CO -0.06 0.25 0.10 0.35 0.00 0.00 0.00 175.10 175.74 1qvy n THR 73 N 4.16 0.21 -3.55 3.92 -2.24 0.06 -4.48 114.28 112.36 1qvy n THR 73 Ca -0.06 -0.22 -0.17 0.00 -2.27 0.00 0.00 64.05 61.33 1qvy n THR 73 Cb 0.51 -0.18 -0.06 0.00 -2.10 0.00 0.00 70.33 68.49 1qvy n THR 73 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1qvy s GLY 74 N -3.28 -0.57 -0.04 3.38 0.00 -1.08 -1.53 107.32 104.20 1qvy s GLY 74 Ca -0.03 1.51 0.06 0.00 0.00 0.00 0.00 44.72 46.25 1qvy s GLY 74 CO 0.29 1.16 -0.21 -2.27 0.00 0.00 0.00 173.10 172.08 1qvy s LEU 75 N -0.78 2.36 -0.05 0.66 0.20 -0.86 -1.03 118.68 119.17 1qvy s LEU 75 Ca -0.08 -0.35 0.03 0.00 0.69 0.00 0.00 54.13 54.42 1qvy s LEU 75 Cb -0.01 -1.44 0.01 0.00 -0.43 0.00 0.00 46.19 44.31 1qvy s LEU 75 CO 0.08 0.32 -0.14 -0.89 -0.29 0.00 0.00 176.35 175.43 1qvy s THR 76 N -0.61 1.24 -0.43 3.68 2.01 -0.04 -0.49 115.64 121.01 1qvy s THR 76 Ca 0.09 -0.57 -0.21 0.00 0.31 0.00 0.00 61.69 61.30 1qvy s THR 76 Cb -0.11 -1.10 0.02 0.00 0.01 0.00 0.00 72.50 71.32 1qvy s THR 76 CO 0.00 0.37 0.67 -0.22 -0.69 0.00 0.00 174.62 174.76 1qvy s LEU 77 N 0.38 4.42 -0.26 4.42 2.96 -0.06 -0.77 118.68 129.77 1qvy s LEU 77 Ca -0.10 -0.23 -0.16 0.00 -0.22 0.00 0.00 54.13 53.41 1qvy s LEU 77 Cb -0.14 -2.79 -0.03 0.00 0.50 0.00 0.00 46.19 43.74 1qvy s LEU 77 CO 0.03 -0.79 0.45 -0.69 -1.32 0.00 0.00 176.35 174.03 1qvy s VAL 78 N 2.91 5.12 -0.23 1.68 1.01 0.38 -4.36 120.40 126.91 1qvy s VAL 78 Ca 0.24 0.74 -0.06 0.00 0.00 0.00 0.00 61.98 62.90 1qvy s VAL 78 Cb -0.14 -3.77 0.11 0.00 0.00 0.00 0.00 36.38 32.59 1qvy s VAL 78 CO 0.19 0.13 0.47 0.00 0.00 0.00 0.00 175.10 175.89 1qvy h SER 80 N 8.13 0.00 -0.02 0.00 4.64 -1.96 -2.62 113.55 121.72 1qvy h SER 80 Ca -0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.15 1qvy h SER 80 Cb 1.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 1qvy h SER 80 CO 0.15 0.11 -0.03 -1.54 -0.87 0.00 0.00 176.83 174.65 1qvy n SER 81 N -3.32 2.46 -4.77 4.97 3.41 -1.26 -4.93 113.62 110.18 1qvy n SER 81 Ca -0.00 -1.80 -0.40 0.00 -0.26 0.00 0.00 58.87 56.40 1qvy n SER 81 Cb 0.32 0.03 -0.03 0.00 -0.26 0.00 0.00 64.21 64.27 1qvy n SER 81 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1qvy s ALA 82 N -2.04 3.46 -0.58 7.33 0.00 -0.99 -4.93 121.76 124.01 1qvy s ALA 82 Ca 0.30 1.16 0.25 0.00 0.00 0.00 0.00 51.96 53.67 1qvy s ALA 82 Cb 0.20 -3.44 0.90 0.00 0.00 0.00 0.00 23.12 20.79 1qvy s ALA 82 CO 0.33 -0.52 1.75 -0.35 0.00 0.00 0.00 175.76 176.97 1qvy n PRO 83 N 0.86 0.24 -3.91 0.00 -0.04 -1.26 -4.86 135.00 126.03 1qvy n PRO 83 Ca -0.00 0.33 -0.09 0.00 -0.04 0.00 0.00 63.50 63.70 1qvy n PRO 83 Cb 0.43 -1.86 -0.04 0.00 -0.04 0.00 0.00 33.50 31.99 1qvy n PRO 83 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1qvy s GLY 84 N -3.59 0.28 0.51 0.55 0.00 -1.26 -5.16 107.32 98.65 1qvy s GLY 84 Ca 0.07 -0.63 -0.21 0.00 0.00 0.00 0.00 44.72 43.95 1qvy s GLY 84 CO 0.50 -0.47 1.16 2.56 0.00 0.00 0.00 173.10 176.85 1qvy s PRO 85 N -3.96 3.52 -0.41 2.90 0.04 -1.26 -5.01 135.00 130.82 1qvy s PRO 85 Ca 0.17 1.72 0.02 0.00 0.04 0.00 0.00 61.00 62.95 1qvy s PRO 85 Cb -0.01 -2.20 0.12 0.00 0.04 0.00 0.00 34.50 32.44 1qvy s PRO 85 CO 0.05 -0.73 0.16 -0.51 0.04 0.00 0.00 177.00 176.01 1qvy s LEU 86 N -3.43 3.55 -0.03 -3.56 1.43 -1.26 -5.09 118.68 110.29 1qvy s LEU 86 Ca 0.69 -2.39 0.03 0.00 -1.03 0.00 0.00 54.13 51.42 1qvy s LEU 86 Cb -0.27 -1.31 0.00 0.00 0.03 0.00 0.00 46.19 44.65 1qvy s LEU 86 CO 0.31 -0.32 -0.11 -1.61 0.23 0.00 0.00 176.35 174.86 1qvy s GLU 87 N 0.61 1.09 -0.14 1.70 0.41 -1.26 -0.88 118.70 120.23 1qvy s GLU 87 Ca 0.14 -0.37 -0.02 0.00 -0.41 0.00 0.00 54.97 54.31 1qvy s GLU 87 Cb -0.22 -1.00 -0.02 0.00 -1.78 0.00 0.00 34.13 31.10 1qvy s GLU 87 CO -0.07 0.15 -0.07 -0.51 -0.49 0.00 0.00 175.26 174.27 1qvy s LEU 88 N 0.10 3.07 -0.53 1.80 1.43 0.36 -5.01 118.68 119.89 1qvy s LEU 88 Ca -0.02 -0.18 -0.24 0.00 -1.03 0.00 0.00 54.13 52.66 1qvy s LEU 88 Cb -0.08 -1.72 0.04 0.00 0.03 0.00 0.00 46.19 44.46 1qvy s LEU 88 CO 0.01 0.19 0.93 -0.62 0.23 0.00 0.00 176.35 177.09 1qvy s ASP 89 N 0.21 6.36 0.00 2.29 2.15 -1.26 -2.03 116.67 124.40 1qvy s ASP 89 Ca -0.04 -0.28 0.28 0.00 0.43 0.00 0.00 52.55 52.94 1qvy s ASP 89 Cb -0.14 -2.44 1.39 0.00 -0.30 0.00 0.00 42.92 41.43 1qvy s ASP 89 CO 0.04 -1.19 1.93 0.18 -0.17 0.00 0.00 175.17 175.95 1qvy n LEU 90 N 7.40 0.77 -0.24 -1.34 4.77 -0.58 -2.53 117.00 125.25 1qvy n LEU 90 Ca 0.02 -0.27 0.12 0.00 -0.03 0.00 0.00 56.01 55.85 1qvy n LEU 90 Cb 0.48 -0.01 0.21 0.00 -2.33 0.00 0.00 43.42 41.77 1qvy n LEU 90 CO 0.64 0.13 0.46 0.35 -1.33 0.00 0.00 177.39 177.64 1qvy n THR 91 N -0.38 0.00 -0.42 -5.08 -2.24 -1.25 -4.82 114.28 100.10 1qvy n THR 91 Ca 0.20 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.86 1qvy n THR 91 Cb 0.23 0.65 0.00 0.00 -2.10 0.00 0.00 70.33 69.10 1qvy n THR 91 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1qvy n GLY 92 N 1.41 1.60 3.47 3.38 0.00 -1.05 -5.00 105.19 109.00 1qvy n GLY 92 Ca 0.09 -1.71 -0.43 0.00 0.00 0.00 0.00 46.02 43.97 1qvy n GLY 92 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1qvy s ASP 93 N -1.00 6.26 0.39 1.61 2.15 -1.26 -4.88 116.67 119.95 1qvy s ASP 93 Ca 0.00 -1.10 0.10 0.00 0.43 0.00 0.00 52.55 51.97 1qvy s ASP 93 Cb 0.00 -2.45 0.81 0.00 -0.30 0.00 0.00 42.92 40.98 1qvy s ASP 93 CO 0.00 -1.45 1.93 -0.07 -0.17 0.00 0.00 175.17 175.41 1qvy h LEU 94 N 11.56 0.22 -1.34 -1.34 3.38 -1.92 -2.75 115.31 123.12 1qvy h LEU 94 Ca -0.18 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.73 1qvy h LEU 94 Cb 1.06 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.72 1qvy h LEU 94 CO 1.20 0.36 0.24 -0.33 0.09 0.00 0.00 178.44 180.00 1qvy h GLU 95 N 0.23 0.69 0.00 1.13 4.39 -1.94 -2.59 114.58 116.48 1qvy h GLU 95 Ca 0.05 -0.08 -0.01 0.00 0.34 0.00 0.00 59.36 59.66 1qvy h GLU 95 Cb 0.34 -0.14 -0.00 0.00 -0.10 0.00 0.00 28.75 28.85 1qvy h GLU 95 CO 0.02 0.53 -0.04 0.66 -1.16 0.00 0.00 179.01 179.03 1qvy h SER 96 N 0.69 0.00 0.75 1.42 4.64 -1.89 -2.46 113.55 116.70 1qvy h SER 96 Ca 0.17 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.48 1qvy h SER 96 Cb 0.07 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.16 1qvy h SER 96 CO -0.02 0.04 -0.08 -0.26 -0.87 0.00 0.00 176.83 175.64 1qvy h PHE 97 N 0.00 0.00 0.00 4.77 0.04 -1.62 -2.58 116.94 117.55 1qvy h PHE 97 Ca -0.00 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.76 1qvy h PHE 97 Cb 0.09 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.23 1qvy h PHE 97 CO 0.00 0.08 -0.05 0.87 -0.60 0.00 0.00 178.31 178.60 1qvy h LYS 98 N 0.00 0.00 -0.01 1.51 1.57 -1.54 -2.38 116.57 115.72 1qvy h LYS 98 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1qvy h LYS 98 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.78 1qvy h LYS 98 CO 0.01 0.05 -0.69 1.63 -0.57 0.00 0.00 179.45 179.89 1qvy n LYS 99 N -3.48 1.14 -3.07 3.15 5.02 -0.98 -4.91 118.16 115.04 1qvy n LYS 99 Ca -0.02 -0.36 -0.22 0.00 -2.02 0.00 0.00 58.31 55.69 1qvy n LYS 99 Cb 0.17 -1.37 0.01 0.00 -0.02 0.00 0.00 35.03 33.82 1qvy n LYS 99 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1qvy s GLN 100 N -2.52 3.02 0.02 1.97 -0.21 -0.90 -5.13 119.66 115.91 1qvy s GLN 100 Ca 0.11 -0.67 -0.16 0.00 0.02 0.00 0.00 55.36 54.66 1qvy s GLN 100 Cb 0.15 -2.62 0.03 0.00 1.00 0.00 0.00 33.01 31.56 1qvy s GLN 100 CO 0.65 -0.24 0.34 0.45 -2.12 0.00 0.00 175.29 174.38 1qvy s SER 101 N -4.23 -0.20 -0.15 5.90 0.15 -1.26 -4.11 113.70 109.80 1qvy s SER 101 Ca 0.49 -0.01 -0.17 0.00 0.70 0.00 0.00 55.95 56.96 1qvy s SER 101 Cb -0.10 0.36 -0.04 0.00 -1.71 0.00 0.00 66.02 64.53 1qvy s SER 101 CO 0.36 -0.56 0.43 -0.36 1.20 0.00 0.00 173.24 174.32 1qvy s PHE 102 N -2.00 3.47 -0.00 3.44 0.08 -0.68 -4.90 117.98 117.39 1qvy s PHE 102 Ca -0.09 0.78 -0.30 0.00 0.12 0.00 0.00 56.93 57.45 1qvy s PHE 102 Cb -0.02 -2.52 -0.03 0.00 -0.57 0.00 0.00 43.02 39.88 1qvy s PHE 102 CO 0.00 0.13 0.97 0.08 -0.10 0.00 0.00 175.22 176.31 1qvy s VAL 103 N 0.79 4.87 -0.09 -0.44 1.01 -1.26 -0.60 120.40 124.69 1qvy s VAL 103 Ca 0.23 2.04 0.02 0.00 0.00 0.00 0.00 61.98 64.27 1qvy s VAL 103 Cb -0.15 -4.31 0.01 0.00 0.00 0.00 0.00 36.38 31.94 1qvy s VAL 103 CO 0.09 0.16 -0.13 -0.22 0.00 0.00 0.00 175.10 174.99 1qvy s LEU 104 N 1.02 1.65 0.19 3.92 0.20 -0.35 -4.93 118.68 120.39 1qvy s LEU 104 Ca 0.52 -0.36 -0.30 0.00 0.69 0.00 0.00 54.13 54.67 1qvy s LEU 104 Cb -0.21 -0.96 -0.09 0.00 -0.43 0.00 0.00 46.19 44.51 1qvy s LEU 104 CO 0.28 0.02 1.33 -0.75 -0.29 0.00 0.00 176.35 176.93 1qvy s LYS 105 N 0.87 4.37 0.41 1.98 2.20 -1.26 -1.52 119.74 126.80 1qvy s LYS 105 Ca -0.10 2.07 -0.25 0.00 -0.36 0.00 0.00 55.97 57.33 1qvy s LYS 105 Cb -0.15 -3.19 -0.10 0.00 -1.51 0.00 0.00 37.83 32.87 1qvy s LYS 105 CO 0.01 -0.28 1.18 -0.85 -0.36 0.00 0.00 175.35 175.05 1qvy n GLU 106 N 2.73 1.74 -0.60 4.03 0.28 0.15 -2.82 120.64 126.15 1qvy n GLU 106 Ca 0.07 0.62 0.00 0.00 -0.16 0.00 0.00 57.16 57.69 1qvy n GLU 106 Cb 0.43 -2.26 0.00 0.00 1.43 0.00 0.00 31.44 31.04 1qvy n GLU 106 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1qvy n GLY 107 N 0.94 1.43 3.80 -1.84 0.00 -0.87 -4.96 105.19 103.69 1qvy n GLY 107 Ca 0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.75 1qvy n GLY 107 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1qvy s VAL 108 N -3.22 4.28 0.25 1.61 -7.23 -1.13 -4.48 120.40 110.48 1qvy s VAL 108 Ca 0.00 1.59 -0.30 0.00 -1.81 0.00 0.00 61.98 61.46 1qvy s VAL 108 Cb 0.00 -3.74 -0.09 0.00 0.56 0.00 0.00 36.38 33.11 1qvy s VAL 108 CO 0.00 -0.15 1.13 -1.61 -0.31 0.00 0.00 175.10 174.17 1qvy s GLU 109 N -2.77 4.59 0.20 4.82 2.02 -1.26 -0.99 118.70 125.31 1qvy s GLU 109 Ca 0.58 1.83 -0.17 0.00 0.02 0.00 0.00 54.97 57.22 1qvy s GLU 109 Cb -0.13 -3.21 0.03 0.00 0.10 0.00 0.00 34.13 30.92 1qvy s GLU 109 CO 0.17 0.10 0.52 1.52 0.02 0.00 0.00 175.26 177.60 1qvy s TYR 110 N -0.77 -0.09 0.15 1.61 1.13 -0.03 -4.56 117.35 114.79 1qvy s TYR 110 Ca 0.47 -0.25 0.02 0.00 -1.41 0.00 0.00 57.07 55.90 1qvy s TYR 110 Cb -0.32 0.38 -0.04 0.00 -1.10 0.00 0.00 41.96 40.88 1qvy s TYR 110 CO 0.40 -0.92 -0.03 1.03 -2.51 0.00 0.00 175.55 173.51 1qvy s ARG 111 N -3.88 1.04 -0.14 -3.49 0.52 -0.15 -1.15 118.95 111.70 1qvy s ARG 111 Ca 0.10 -1.47 -0.02 0.00 -0.52 0.00 0.00 55.73 53.81 1qvy s ARG 111 Cb -0.01 -0.32 -0.02 0.00 0.52 0.00 0.00 34.95 35.11 1qvy s ARG 111 CO -0.02 -0.07 -0.07 0.42 0.02 0.00 0.00 175.30 175.58 1qvy s ILE 112 N -3.59 3.62 -0.18 1.52 -1.09 -1.26 -0.47 121.20 119.76 1qvy s ILE 112 Ca 0.20 -0.46 -0.02 0.00 -2.23 0.00 0.00 60.65 58.14 1qvy s ILE 112 Cb 0.05 -2.56 -0.01 0.00 -1.58 0.00 0.00 42.46 38.36 1qvy s ILE 112 CO 0.01 0.51 -0.09 -0.75 -1.23 0.00 0.00 174.94 173.40 1qvy s LYS 113 N 0.26 3.35 -0.21 2.79 2.20 0.05 -1.35 119.74 126.84 1qvy s LYS 113 Ca -0.05 -0.66 -0.06 0.00 -0.36 0.00 0.00 55.97 54.84 1qvy s LYS 113 Cb -0.14 -2.83 -0.03 0.00 -1.51 0.00 0.00 37.83 33.32 1qvy s LYS 113 CO 0.04 -0.05 0.02 0.42 -0.36 0.00 0.00 175.35 175.42 1qvy s ILE 114 N 1.04 4.08 -0.12 5.43 -1.09 0.34 -0.86 121.20 130.02 1qvy s ILE 114 Ca -0.00 -0.27 -0.11 0.00 -2.23 0.00 0.00 60.65 58.05 1qvy s ILE 114 Cb -0.15 -2.86 -0.05 0.00 -1.58 0.00 0.00 42.46 37.83 1qvy s ILE 114 CO -0.01 0.41 0.22 -0.44 -1.23 0.00 0.00 174.94 173.89 1qvy s SER 115 N 1.08 6.44 0.12 3.58 0.01 -0.20 -0.79 113.70 123.95 1qvy s SER 115 Ca 0.03 0.52 -0.20 0.00 1.31 0.00 0.00 55.95 57.60 1qvy s SER 115 Cb -0.14 -2.13 0.05 0.00 0.21 0.00 0.00 66.02 64.01 1qvy s SER 115 CO 0.02 0.27 0.51 0.72 0.41 0.00 0.00 173.24 175.18 1qvy s PHE 116 N -0.40 -0.40 0.22 2.43 -0.71 -0.63 -0.76 117.98 117.73 1qvy s PHE 116 Ca 0.16 0.20 0.11 0.00 -1.04 0.00 0.00 56.93 56.36 1qvy s PHE 116 Cb -0.13 0.41 -0.05 0.00 -1.21 0.00 0.00 43.02 42.04 1qvy s PHE 116 CO 0.04 -0.76 -0.20 -0.98 -1.34 0.00 0.00 175.22 171.98 1qvy s ARG 117 N -3.51 1.65 -0.16 1.99 1.70 0.32 -0.23 118.95 120.71 1qvy s ARG 117 Ca 0.00 -1.55 0.01 0.00 -0.47 0.00 0.00 55.73 53.72 1qvy s ARG 117 Cb 0.00 -1.87 0.02 0.00 -0.57 0.00 0.00 34.95 32.53 1qvy s ARG 117 CO -0.10 0.38 -0.16 0.08 -1.08 0.00 0.00 175.30 174.42 1qvy s VAL 118 N -1.91 1.77 -0.16 4.99 1.01 -1.26 -1.83 120.40 123.01 1qvy s VAL 118 Ca 0.24 -0.75 0.02 0.00 0.00 0.00 0.00 61.98 61.49 1qvy s VAL 118 Cb -0.07 -1.63 -0.23 0.00 0.00 0.00 0.00 36.38 34.45 1qvy s VAL 118 CO 0.12 0.49 0.19 0.59 0.00 0.00 0.00 175.10 176.49 1qvy n ASN 119 N 4.71 1.61 0.00 3.32 3.02 0.21 -2.26 115.26 125.88 1qvy n ASN 119 Ca -0.19 0.11 0.00 0.00 -0.03 0.00 0.00 54.58 54.47 1qvy n ASN 119 Cb 0.50 -0.36 0.00 0.00 -0.61 0.00 0.00 39.78 39.31 1qvy n ASN 119 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 1qvy n ARG 120 N -3.25 0.00 -3.87 3.52 0.63 -1.26 -4.63 116.66 107.80 1qvy n ARG 120 Ca -0.34 0.00 -0.09 0.00 -0.92 0.00 0.00 57.85 56.50 1qvy n ARG 120 Cb 1.04 -0.59 -0.08 0.00 0.45 0.00 0.00 32.46 33.29 1qvy n ARG 120 CO 0.00 0.00 0.00 -1.83 -2.51 0.00 0.00 177.63 173.29 1qvy s GLU 121 N -1.25 0.75 0.31 -0.14 -1.05 -1.26 -4.80 118.70 111.25 1qvy s GLU 121 Ca 0.00 -0.82 -0.30 0.00 -0.15 0.00 0.00 54.97 53.71 1qvy s GLU 121 Cb 0.00 0.31 -0.11 0.00 -0.44 0.00 0.00 34.13 33.88 1qvy s GLU 121 CO 0.00 -0.22 1.60 0.42 0.95 0.00 0.00 175.26 178.01 1qvy s ILE 122 N -3.22 2.00 0.15 1.83 1.01 -1.26 -4.47 121.20 117.24 1qvy s ILE 122 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 60.65 60.75 1qvy s ILE 122 Cb 0.02 -3.00 -0.04 0.00 0.01 0.00 0.00 42.46 39.45 1qvy s ILE 122 CO -0.07 0.00 -0.17 0.68 0.00 0.00 0.00 174.94 175.38 1qvy s VAL 123 N -0.13 2.85 0.07 2.92 -7.23 -0.66 -5.01 120.40 113.21 1qvy s VAL 123 Ca 0.62 -1.64 0.01 0.00 -1.81 0.00 0.00 61.98 59.17 1qvy s VAL 123 Cb -0.48 -2.35 -0.04 0.00 0.56 0.00 0.00 36.38 34.07 1qvy s VAL 123 CO 0.50 0.01 -0.06 -0.44 -0.31 0.00 0.00 175.10 174.80 1qvy s SER 124 N -2.42 0.90 -0.65 4.85 0.01 -1.26 -1.93 113.70 113.19 1qvy s SER 124 Ca 0.20 -0.90 0.00 0.00 1.31 0.00 0.00 55.95 56.57 1qvy s SER 124 Cb -0.10 0.11 0.00 0.00 0.21 0.00 0.00 66.02 66.24 1qvy s SER 124 CO 0.11 -0.44 0.00 0.61 0.41 0.00 0.00 173.24 173.93 1qvy n GLY 125 N 0.35 0.44 3.81 3.44 0.00 -0.85 -4.76 105.19 107.61 1qvy n GLY 125 Ca -0.15 -0.66 -0.33 0.00 0.00 0.00 0.00 46.02 44.88 1qvy n GLY 125 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1qvy s MET 126 N -3.59 3.98 0.07 1.61 -1.94 0.17 -1.93 119.30 117.66 1qvy s MET 126 Ca 0.00 1.24 -0.12 0.00 -1.71 0.00 0.00 55.69 55.10 1qvy s MET 126 Cb 0.00 -2.13 0.01 0.00 2.01 0.00 0.00 34.83 34.72 1qvy s MET 126 CO 0.00 -0.27 0.28 -1.59 -0.01 0.00 0.00 175.02 173.43 1qvy s LYS 127 N -3.26 0.87 -0.10 2.03 -2.85 -0.44 -0.88 119.74 115.11 1qvy s LYS 127 Ca 0.65 -0.70 0.02 0.00 -1.00 0.00 0.00 55.97 54.94 1qvy s LYS 127 Cb -0.13 0.37 -0.01 0.00 -2.06 0.00 0.00 37.83 36.00 1qvy s LYS 127 CO 0.18 -0.29 -0.18 -0.47 0.10 0.00 0.00 175.35 174.68 1qvy s TYR 128 N -3.23 2.67 -0.07 1.78 5.04 0.21 -1.07 117.35 122.68 1qvy s TYR 128 Ca -0.00 -0.75 0.05 0.00 -2.44 0.00 0.00 57.07 53.93 1qvy s TYR 128 Cb 0.02 -1.75 -0.00 0.00 0.35 0.00 0.00 41.96 40.58 1qvy s TYR 128 CO -0.08 -0.25 -0.21 0.42 -1.34 0.00 0.00 175.55 174.10 1qvy s ILE 129 N 0.18 1.75 -0.13 3.14 1.01 0.14 -0.38 121.20 126.92 1qvy s ILE 129 Ca -0.11 -0.88 0.02 0.00 0.00 0.00 0.00 60.65 59.69 1qvy s ILE 129 Cb -0.16 -1.51 0.01 0.00 0.01 0.00 0.00 42.46 40.81 1qvy s ILE 129 CO 0.06 0.49 -0.19 -1.10 0.00 0.00 0.00 174.94 174.21 1qvy s GLN 130 N 0.14 2.65 -0.21 2.79 -0.21 -0.48 -0.81 119.66 123.52 1qvy s GLN 130 Ca -0.09 -0.72 -0.06 0.00 0.02 0.00 0.00 55.36 54.51 1qvy s GLN 130 Cb -0.15 -2.19 -0.03 0.00 1.00 0.00 0.00 33.01 31.64 1qvy s GLN 130 CO 0.05 -0.05 0.04 -1.01 -2.12 0.00 0.00 175.29 172.20 1qvy s HIS 131 N 0.92 3.09 -0.12 0.91 3.76 -0.33 -1.37 115.29 122.16 1qvy s HIS 131 Ca -0.06 -0.34 -0.03 0.00 -0.15 0.00 0.00 55.06 54.48 1qvy s HIS 131 Cb -0.15 -2.14 -0.03 0.00 1.11 0.00 0.00 32.58 31.37 1qvy s HIS 131 CO -0.02 -0.20 0.00 0.99 -0.85 0.00 0.00 174.74 174.66 1qvy s THR 132 N 1.09 4.31 0.15 1.30 2.01 0.03 -0.78 115.64 123.75 1qvy s THR 132 Ca 0.03 -0.23 0.08 0.00 0.31 0.00 0.00 61.69 61.88 1qvy s THR 132 Cb -0.14 -2.85 -0.04 0.00 0.01 0.00 0.00 72.50 69.48 1qvy s THR 132 CO 0.02 0.56 -0.18 -0.31 -0.69 0.00 0.00 174.62 174.02 1qvy s TYR 133 N -0.43 1.78 -0.03 4.92 1.51 0.48 -0.34 117.35 125.25 1qvy s TYR 133 Ca 0.08 -0.47 -0.01 0.00 -1.01 0.00 0.00 57.07 55.66 1qvy s TYR 133 Cb -0.12 -0.90 0.03 0.00 -0.11 0.00 0.00 41.96 40.86 1qvy s TYR 133 CO 0.02 0.30 0.04 0.50 -1.11 0.00 0.00 175.55 175.30 1qvy s ARG 134 N -2.68 -0.02 -1.64 -0.62 3.52 0.40 -1.06 118.95 116.86 1qvy s ARG 134 Ca 0.14 0.26 -0.14 0.00 -0.13 0.00 0.00 55.73 55.86 1qvy s ARG 134 Cb -0.06 -0.39 0.12 0.00 -1.56 0.00 0.00 34.95 33.05 1qvy s ARG 134 CO 0.06 -0.24 0.67 1.63 -0.81 0.00 0.00 175.30 176.61 1qvy n LYS 135 N 4.68 -3.06 -0.93 5.12 5.02 -1.26 -1.99 118.16 125.74 1qvy n LYS 135 Ca -0.17 0.36 0.00 0.00 -2.02 0.00 0.00 58.31 56.48 1qvy n LYS 135 Cb 0.50 -4.90 0.00 0.00 -0.02 0.00 0.00 35.03 30.61 1qvy n LYS 135 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1qvy n GLY 136 N -1.58 0.79 3.32 0.72 0.00 -1.26 -5.03 105.19 102.15 1qvy n GLY 136 Ca -0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.69 1qvy n GLY 136 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1qvy s VAL 137 N -3.11 2.07 -0.01 1.61 -7.23 -0.84 -5.06 120.40 107.82 1qvy s VAL 137 Ca 0.00 -1.20 -0.30 0.00 -1.81 0.00 0.00 61.98 58.67 1qvy s VAL 137 Cb 0.00 -1.73 -0.04 0.00 0.56 0.00 0.00 36.38 35.17 1qvy s VAL 137 CO 0.00 0.51 1.11 -0.75 -0.31 0.00 0.00 175.10 175.66 1qvy s LYS 138 N -0.82 4.44 -0.01 4.82 2.20 -1.26 -0.45 119.74 128.67 1qvy s LYS 138 Ca 0.10 1.60 0.08 0.00 -0.36 0.00 0.00 55.97 57.39 1qvy s LYS 138 Cb -0.10 -3.46 -0.10 0.00 -1.51 0.00 0.00 37.83 32.65 1qvy s LYS 138 CO 0.00 -0.27 0.23 0.44 -0.36 0.00 0.00 175.35 175.40 1qvy n ILE 139 N 4.21 0.00 -3.68 5.43 -5.35 0.54 -4.93 119.36 115.58 1qvy n ILE 139 Ca 0.09 -0.24 -0.14 0.00 -0.27 0.00 0.00 62.75 62.19 1qvy n ILE 139 Cb 0.48 0.60 -0.09 0.00 -1.74 0.00 0.00 39.64 38.89 1qvy n ILE 139 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1qvy s ASP 140 N -2.41 -0.55 -0.13 7.28 -1.08 -0.99 -5.00 116.67 113.79 1qvy s ASP 140 Ca -0.01 1.02 0.03 0.00 -0.52 0.00 0.00 52.55 53.07 1qvy s ASP 140 Cb 0.05 1.03 0.00 0.00 -1.46 0.00 0.00 42.92 42.55 1qvy s ASP 140 CO 0.32 -0.23 -0.21 -0.54 0.52 0.00 0.00 175.17 175.02 1qvy s LYS 141 N 0.10 3.08 -0.04 4.34 1.02 -1.26 -0.79 119.74 126.19 1qvy s LYS 141 Ca -0.01 -0.84 0.02 0.00 0.02 0.00 0.00 55.97 55.15 1qvy s LYS 141 Cb -0.04 -2.43 0.02 0.00 -0.52 0.00 0.00 37.83 34.86 1qvy s LYS 141 CO 0.02 0.07 -0.07 0.99 -0.92 0.00 0.00 175.35 175.44 1qvy s THR 142 N 0.62 0.66 -0.09 2.17 2.01 -0.47 -5.03 115.64 115.51 1qvy s THR 142 Ca -0.11 -0.23 -0.00 0.00 0.31 0.00 0.00 61.69 61.66 1qvy s THR 142 Cb -0.16 -0.64 -0.03 0.00 0.01 0.00 0.00 72.50 71.68 1qvy s THR 142 CO 0.03 0.24 -0.06 -1.81 -0.69 0.00 0.00 174.62 172.32 1qvy s ASP 143 N 0.64 4.66 -0.19 3.53 1.01 -1.26 -1.38 116.67 123.68 1qvy s ASP 143 Ca -0.09 -0.05 0.01 0.00 0.71 0.00 0.00 52.55 53.13 1qvy s ASP 143 Cb -0.13 -1.31 0.03 0.00 1.01 0.00 0.00 42.92 42.53 1qvy s ASP 143 CO 0.01 0.32 -0.14 -0.31 0.21 0.00 0.00 175.17 175.26 1qvy s TYR 144 N -0.56 2.59 0.36 4.23 2.02 0.49 -5.00 117.35 121.49 1qvy s TYR 144 Ca 0.08 -1.62 -0.28 0.00 -0.37 0.00 0.00 57.07 54.88 1qvy s TYR 144 Cb -0.12 -1.76 -0.10 0.00 -0.40 0.00 0.00 41.96 39.59 1qvy s TYR 144 CO 0.02 -0.77 1.33 1.41 -1.57 0.00 0.00 175.55 175.97 1qvy s MET 145 N 1.34 4.19 -0.07 -0.62 -2.45 -1.26 -0.62 119.30 119.82 1qvy s MET 145 Ca 0.01 2.24 -0.01 0.00 -1.25 0.00 0.00 55.69 56.68 1qvy s MET 145 Cb -0.15 -2.95 -0.04 0.00 1.25 0.00 0.00 34.83 32.95 1qvy s MET 145 CO -0.10 -0.34 -0.07 0.28 1.05 0.00 0.00 175.02 175.84 1qvy n VAL 146 N 0.52 0.37 -0.05 10.11 0.31 -0.06 -4.83 118.33 124.69 1qvy n VAL 146 Ca 0.01 -0.12 0.00 0.00 -0.01 0.00 0.00 64.34 64.22 1qvy n VAL 146 Cb 0.42 -1.08 0.00 0.00 -0.91 0.00 0.00 33.84 32.27 1qvy n VAL 146 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1qvy n GLY 147 N 2.94 0.81 3.18 2.92 0.00 -0.34 -4.87 105.19 109.83 1qvy n GLY 147 Ca -0.12 -1.21 -0.27 0.00 0.00 0.00 0.00 46.02 44.41 1qvy n GLY 147 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1qvy s SER 148 N -4.00 2.42 0.01 1.61 0.15 -1.26 -0.66 113.70 111.97 1qvy s SER 148 Ca 0.00 -0.39 0.01 0.00 0.70 0.00 0.00 55.95 56.27 1qvy s SER 148 Cb 0.00 -0.57 -0.01 0.00 -1.71 0.00 0.00 66.02 63.74 1qvy s SER 148 CO 0.00 0.20 -0.03 -0.31 1.20 0.00 0.00 173.24 174.30 1qvy s TYR 149 N -0.14 0.27 0.37 3.44 2.02 -0.81 -5.00 117.35 117.48 1qvy s TYR 149 Ca -0.01 -0.19 0.07 0.00 -0.37 0.00 0.00 57.07 56.58 1qvy s TYR 149 Cb -0.11 -0.17 -0.01 0.00 -0.40 0.00 0.00 41.96 41.27 1qvy s TYR 149 CO 0.02 -0.05 0.45 0.20 -1.57 0.00 0.00 175.55 174.59 1qvy s GLY 150 N -0.51 1.80 0.35 0.71 0.00 -1.26 -1.65 107.32 106.75 1qvy s GLY 150 Ca -0.04 -1.61 -0.27 0.00 0.00 0.00 0.00 44.72 42.80 1qvy s GLY 150 CO -0.00 -1.49 1.19 2.56 0.00 0.00 0.00 173.10 175.36 1qvy s PRO 151 N -4.17 4.30 0.09 2.90 0.04 -1.26 -4.74 135.00 132.16 1qvy s PRO 151 Ca 0.47 1.94 -0.26 0.00 0.04 0.00 0.00 61.00 63.18 1qvy s PRO 151 Cb -0.08 -2.92 0.08 0.00 0.04 0.00 0.00 34.50 31.62 1qvy s PRO 151 CO 0.30 -0.14 0.91 -0.98 0.04 0.00 0.00 177.00 177.13 1qvy s ARG 152 N -1.93 1.06 0.10 4.56 1.70 -0.96 -4.99 118.95 118.49 1qvy s ARG 152 Ca 0.51 -0.51 -0.16 0.00 -0.47 0.00 0.00 55.73 55.10 1qvy s ARG 152 Cb -0.34 0.41 -0.08 0.00 -0.57 0.00 0.00 34.95 34.37 1qvy s ARG 152 CO 0.43 -0.48 1.44 0.00 -1.08 0.00 0.00 175.30 175.61 1qvy h ALA 153 N 2.00 0.42 -2.55 7.88 0.00 -1.94 -3.42 119.26 121.64 1qvy h ALA 153 Ca -0.24 -0.36 -0.54 0.00 0.00 0.00 0.00 54.91 53.77 1qvy h ALA 153 Cb 1.24 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.91 1qvy h ALA 153 CO 0.28 0.37 -0.17 -1.83 0.00 0.00 0.00 179.25 177.90 1qvy s GLU 154 N -4.47 3.72 0.80 0.00 1.03 -1.26 -5.04 118.70 113.47 1qvy s GLU 154 Ca -0.13 0.13 -0.12 0.00 0.03 0.00 0.00 54.97 54.88 1qvy s GLU 154 Cb 0.08 -2.70 0.07 0.00 -0.80 0.00 0.00 34.13 30.79 1qvy s GLU 154 CO 0.81 0.33 1.13 -1.83 -1.33 0.00 0.00 175.26 174.37 1qvy s GLU 155 N -2.93 1.93 0.25 -4.83 -1.05 -1.26 -4.84 118.70 105.96 1qvy s GLU 155 Ca 0.45 1.39 0.06 0.00 -0.15 0.00 0.00 54.97 56.72 1qvy s GLU 155 Cb -0.11 -1.84 -0.03 0.00 -0.44 0.00 0.00 34.13 31.70 1qvy s GLU 155 CO 0.24 -1.92 0.32 0.71 0.95 0.00 0.00 175.26 175.56 1qvy s TYR 156 N -2.63 3.31 -0.08 4.83 2.02 0.68 -4.95 117.35 120.52 1qvy s TYR 156 Ca 0.65 -0.07 0.01 0.00 -0.37 0.00 0.00 57.07 57.30 1qvy s TYR 156 Cb -0.21 -1.56 0.02 0.00 -0.40 0.00 0.00 41.96 39.81 1qvy s TYR 156 CO 0.53 0.42 -0.10 -1.21 -1.57 0.00 0.00 175.55 173.62 1qvy s GLU 157 N -3.96 1.60 -0.19 -0.62 2.02 -1.26 -1.60 118.70 114.69 1qvy s GLU 157 Ca 0.35 -0.34 -0.06 0.00 0.02 0.00 0.00 54.97 54.93 1qvy s GLU 157 Cb -0.09 -1.44 -0.03 0.00 0.10 0.00 0.00 34.13 32.67 1qvy s GLU 157 CO 0.28 -0.08 0.03 0.12 0.02 0.00 0.00 175.26 175.63 1qvy s PHE 158 N 1.02 3.12 -0.10 1.61 5.36 0.03 -4.95 117.98 124.08 1qvy s PHE 158 Ca -0.08 -0.21 -0.01 0.00 -0.96 0.00 0.00 56.93 55.67 1qvy s PHE 158 Cb -0.15 -2.09 -0.03 0.00 -0.34 0.00 0.00 43.02 40.42 1qvy s PHE 158 CO -0.01 -0.07 -0.05 -0.51 -1.46 0.00 0.00 175.22 173.13 1qvy s LEU 159 N 0.76 3.26 0.80 6.12 1.43 -1.26 -0.50 118.68 129.29 1qvy s LEU 159 Ca 0.02 -0.04 -0.11 0.00 -1.03 0.00 0.00 54.13 52.97 1qvy s LEU 159 Cb -0.14 -1.75 0.07 0.00 0.03 0.00 0.00 46.19 44.41 1qvy s LEU 159 CO 0.02 0.29 1.10 0.42 0.23 0.00 0.00 176.35 178.41 1qvy s THR 160 N -0.36 3.04 0.81 5.49 -4.23 -0.45 -4.98 115.64 114.95 1qvy s THR 160 Ca 0.06 0.34 -0.11 0.00 -1.18 0.00 0.00 61.69 60.80 1qvy s THR 160 Cb -0.12 -3.09 0.08 0.00 1.34 0.00 0.00 72.50 70.71 1qvy s THR 160 CO 0.02 -0.44 1.10 -2.84 -0.54 0.00 0.00 174.62 171.92 1qvy s PRO 161 N -5.17 1.94 0.24 3.99 0.02 -1.26 -4.56 135.00 130.19 1qvy s PRO 161 Ca 0.61 1.19 -0.31 0.00 0.02 0.00 0.00 61.00 62.51 1qvy s PRO 161 Cb -0.14 -1.86 -0.11 0.00 0.02 0.00 0.00 34.50 32.41 1qvy s PRO 161 CO 0.54 -1.88 1.60 0.08 -0.33 0.00 0.00 177.00 177.02 1qvy s VAL 162 N -2.86 2.25 0.31 3.83 1.01 -1.26 -4.72 120.40 118.95 1qvy s VAL 162 Ca 0.62 0.20 0.04 0.00 0.00 0.00 0.00 61.98 62.83 1qvy s VAL 162 Cb -0.18 -3.12 -0.06 0.00 0.00 0.00 0.00 36.38 33.01 1qvy s VAL 162 CO 0.56 0.02 0.05 -1.83 0.00 0.00 0.00 175.10 173.91 1qvy s GLU 163 N 0.32 1.60 -0.14 2.72 -1.05 -0.30 -4.96 118.70 116.88 1qvy s GLU 163 Ca 0.67 -1.87 0.01 0.00 -0.15 0.00 0.00 54.97 53.63 1qvy s GLU 163 Cb -0.47 -0.79 -0.00 0.00 -0.44 0.00 0.00 34.13 32.44 1qvy s GLU 163 CO 0.39 -0.18 -0.18 -2.00 0.95 0.00 0.00 175.26 174.24 1qvy s GLU 164 N -3.90 3.17 0.55 -4.83 2.12 -1.26 -0.85 118.70 113.71 1qvy s GLU 164 Ca 0.36 -0.78 -0.22 0.00 0.36 0.00 0.00 54.97 54.69 1qvy s GLU 164 Cb 0.08 -2.54 -0.05 0.00 0.26 0.00 0.00 34.13 31.88 1qvy s GLU 164 CO 0.15 0.06 1.37 0.00 -0.54 0.00 0.00 175.26 176.29 1qvy s ALA 165 N 0.69 2.81 1.00 6.30 0.00 -0.16 -4.92 121.76 127.48 1qvy s ALA 165 Ca -0.08 1.35 -0.13 0.00 0.00 0.00 0.00 51.96 53.10 1qvy s ALA 165 Cb -0.16 -3.58 0.19 0.00 0.00 0.00 0.00 23.12 19.57 1qvy s ALA 165 CO 0.02 -1.41 1.11 -1.25 0.00 0.00 0.00 175.76 174.23 1qvy s PRO 166 N -2.93 0.43 -0.01 0.00 0.04 -1.26 -2.06 135.00 129.22 1qvy s PRO 166 Ca 0.72 0.35 -0.09 0.00 0.04 0.00 0.00 61.00 62.02 1qvy s PRO 166 Cb -0.41 -1.75 0.01 0.00 0.04 0.00 0.00 34.50 32.39 1qvy s PRO 166 CO 0.48 -2.69 0.19 0.21 0.04 0.00 0.00 177.00 175.23 1qvy s LYS 167 N -5.12 0.52 0.00 4.56 2.20 -1.26 -2.27 119.74 118.36 1qvy s LYS 167 Ca 0.66 -0.31 0.00 0.00 -0.36 0.00 0.00 55.97 55.96 1qvy s LYS 167 Cb -0.16 0.22 0.00 0.00 -1.51 0.00 0.00 37.83 36.38 1qvy s LYS 167 CO 0.56 -0.13 0.00 0.41 -0.36 0.00 0.00 175.35 175.83 1qvy n GLY 168 N 1.49 3.24 0.27 5.54 0.00 -1.26 -4.58 105.19 109.89 1qvy n GLY 168 Ca -0.22 -1.93 0.02 0.00 0.00 0.00 0.00 46.02 43.89 1qvy n GLY 168 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1qvy h MET 169 N 0.00 0.02 0.00 1.61 4.05 -2.00 0.67 114.93 119.27 1qvy h MET 169 Ca 0.00 -0.00 -0.05 0.00 -0.28 0.00 0.00 59.70 59.37 1qvy h MET 169 Cb 0.00 -0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 30.79 1qvy h MET 169 CO 0.00 0.01 -0.23 -0.07 0.23 0.00 0.00 176.91 176.85 1qvy h LEU 170 N 0.02 0.00 0.00 3.39 3.38 -2.04 -3.04 115.31 117.02 1qvy h LEU 170 Ca 0.36 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.33 1qvy h LEU 170 Cb 0.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1qvy h LEU 170 CO -0.73 0.23 -0.21 0.00 0.09 0.00 0.00 178.44 177.82 1qvy h ALA 171 N 1.77 0.89 -2.28 1.53 0.00 -1.13 -3.47 119.26 116.57 1qvy h ALA 171 Ca -0.00 0.00 -0.48 0.00 0.00 0.00 0.00 54.91 54.42 1qvy h ALA 171 Cb 0.75 0.00 0.04 0.00 0.00 0.00 0.00 17.79 18.59 1qvy h ALA 171 CO 0.03 0.00 0.38 1.03 0.00 0.00 0.00 179.25 180.69 1qvy s ARG 172 N -3.21 3.61 0.00 0.00 0.52 -0.91 -4.76 118.95 114.20 1qvy s ARG 172 Ca 0.06 1.08 0.00 0.00 -0.52 0.00 0.00 55.73 56.36 1qvy s ARG 172 Cb 0.08 -2.08 0.00 0.00 0.52 0.00 0.00 34.95 33.47 1qvy s ARG 172 CO 0.68 -0.56 0.00 0.41 0.02 0.00 0.00 175.30 175.85 1qvy n GLY 173 N -1.28 -0.61 3.84 -3.53 0.00 0.72 -4.89 105.19 99.44 1qvy n GLY 173 Ca 0.08 -2.20 -0.34 0.00 0.00 0.00 0.00 46.02 43.56 1qvy n GLY 173 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1qvy s SER 174 N -4.00 6.83 -0.01 1.61 1.04 -1.26 -0.21 113.70 117.69 1qvy s SER 174 Ca 0.00 1.19 0.03 0.00 0.48 0.00 0.00 55.95 57.65 1qvy s SER 174 Cb 0.00 -2.33 -0.01 0.00 0.10 0.00 0.00 66.02 63.78 1qvy s SER 174 CO 0.00 -0.05 -0.10 -0.31 0.98 0.00 0.00 173.24 173.76 1qvy s TYR 175 N -1.71 0.95 0.01 5.02 1.51 0.50 -4.49 117.35 119.14 1qvy s TYR 175 Ca 0.46 -0.19 0.03 0.00 -1.01 0.00 0.00 57.07 56.36 1qvy s TYR 175 Cb -0.13 -0.62 -0.04 0.00 -0.11 0.00 0.00 41.96 41.06 1qvy s TYR 175 CO 0.19 -0.02 -0.02 -1.12 -1.11 0.00 0.00 175.55 173.47 1qvy s SER 176 N -0.21 4.93 -0.11 2.29 0.01 -0.22 -1.25 113.70 119.14 1qvy s SER 176 Ca 0.03 -0.08 0.01 0.00 1.31 0.00 0.00 55.95 57.23 1qvy s SER 176 Cb -0.05 -1.22 0.02 0.00 0.21 0.00 0.00 66.02 64.98 1qvy s SER 176 CO -0.00 0.27 -0.14 -0.63 0.41 0.00 0.00 173.24 173.14 1qvy s ILE 177 N -1.09 1.44 -0.41 1.44 1.09 0.62 -0.38 121.20 123.92 1qvy s ILE 177 Ca 0.20 -0.60 -0.15 0.00 -1.10 0.00 0.00 60.65 59.00 1qvy s ILE 177 Cb -0.11 -1.33 0.02 0.00 -1.06 0.00 0.00 42.46 39.97 1qvy s ILE 177 CO 0.10 0.43 0.29 -0.54 -0.10 0.00 0.00 174.94 175.12 1qvy s LYS 178 N 1.09 2.96 -0.14 2.79 1.02 0.04 -1.40 119.74 126.09 1qvy s LYS 178 Ca -0.05 -1.02 -0.09 0.00 0.02 0.00 0.00 55.97 54.83 1qvy s LYS 178 Cb -0.14 -3.95 -0.04 0.00 -0.52 0.00 0.00 37.83 33.17 1qvy s LYS 178 CO -0.03 -0.74 0.17 -1.12 -0.92 0.00 0.00 175.35 172.70 1qvy s SER 179 N 1.67 6.37 -0.07 2.83 0.01 0.02 -1.18 113.70 123.34 1qvy s SER 179 Ca 0.05 0.44 0.01 0.00 1.31 0.00 0.00 55.95 57.75 1qvy s SER 179 Cb -0.19 -2.10 0.02 0.00 0.21 0.00 0.00 66.02 63.96 1qvy s SER 179 CO 0.10 0.32 -0.07 -0.13 0.41 0.00 0.00 173.24 173.86 1qvy s ARG 180 N -0.54 1.23 -0.31 12.44 0.52 0.00 -1.60 118.95 130.68 1qvy s ARG 180 Ca 0.14 -0.21 -0.10 0.00 -0.52 0.00 0.00 55.73 55.03 1qvy s ARG 180 Cb -0.12 -1.18 -0.01 0.00 0.52 0.00 0.00 34.95 34.16 1qvy s ARG 180 CO 0.03 -0.10 0.17 0.12 0.02 0.00 0.00 175.30 175.54 1qvy s PHE 181 N 1.08 3.19 0.00 -0.53 2.19 0.00 -0.68 117.98 123.23 1qvy s PHE 181 Ca -0.08 -0.49 0.00 0.00 0.33 0.00 0.00 56.93 56.69 1qvy s PHE 181 Cb -0.14 -2.37 0.00 0.00 -1.31 0.00 0.00 43.02 39.19 1qvy s PHE 181 CO -0.01 -0.43 0.00 -2.37 1.83 0.00 0.00 175.22 174.24 1qvy n THR 182 N 5.00 0.00 -3.46 0.12 5.66 -0.23 -1.96 114.28 119.41 1qvy n THR 182 Ca -0.14 0.00 -0.05 0.00 -3.05 0.00 0.00 64.05 60.81 1qvy n THR 182 Cb 0.49 0.00 0.02 0.00 -1.55 0.00 0.00 70.33 69.29 1qvy n THR 182 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 1qvy n ASP 183 N 0.00 -1.34 0.29 1.09 5.68 -1.26 -1.33 116.55 119.69 1qvy n ASP 183 Ca 0.00 -1.93 0.19 0.00 -0.50 0.00 0.00 54.79 52.55 1qvy n ASP 183 Cb 0.00 2.22 0.83 0.00 -1.14 0.00 0.00 41.12 43.04 1qvy n ASP 183 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 1qvy h ASP 184 N 1.15 0.00 -0.08 -1.12 3.32 -1.68 -1.16 116.42 116.85 1qvy h ASP 184 Ca -0.20 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.85 1qvy h ASP 184 Cb 0.72 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.27 1qvy h ASP 184 CO 0.25 0.00 0.00 0.47 -1.72 0.00 0.00 179.24 178.24 1qvy n ASP 185 N -3.03 1.22 -1.43 6.45 8.00 -1.26 -4.94 116.55 121.56 1qvy n ASP 185 Ca -0.00 -1.53 -0.17 0.00 0.71 0.00 0.00 54.79 53.79 1qvy n ASP 185 Cb 0.23 -0.05 -0.06 0.00 -0.02 0.00 0.00 41.12 41.22 1qvy n ASP 185 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1qvy n LYS 186 N -0.01 -1.20 -1.68 -1.24 5.02 -0.44 -4.96 118.16 113.65 1qvy n LYS 186 Ca 0.17 1.03 -0.45 0.00 -2.02 0.00 0.00 58.31 57.04 1qvy n LYS 186 Cb 0.28 -5.29 -0.03 0.00 -0.02 0.00 0.00 35.03 29.97 1qvy n LYS 186 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 1qvy n THR 187 N -2.85 0.54 -2.75 -0.18 -1.04 -1.26 -4.84 114.28 101.89 1qvy n THR 187 Ca -0.17 -0.13 -0.43 0.00 -2.04 0.00 0.00 64.05 61.27 1qvy n THR 187 Cb 0.57 -1.56 0.00 0.00 -1.82 0.00 0.00 70.33 67.53 1qvy n THR 187 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1qvy n ASP 188 N 2.72 5.25 -0.03 8.00 2.03 -1.26 -4.02 116.55 129.24 1qvy n ASP 188 Ca 0.14 -3.05 -0.10 0.00 0.52 0.00 0.00 54.79 52.30 1qvy n ASP 188 Cb 0.31 -1.51 -0.03 0.00 -0.72 0.00 0.00 41.12 39.16 1qvy n ASP 188 CO 0.00 0.00 0.00 0.45 -1.92 0.00 0.00 177.20 175.73 1qvy h HIS 189 N 6.52 0.14 -1.85 -0.67 3.86 -1.74 -3.44 115.15 117.98 1qvy h HIS 189 Ca 0.33 0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.54 1qvy h HIS 189 Cb 0.77 -0.04 -0.21 0.00 1.06 0.00 0.00 27.41 28.99 1qvy h HIS 189 CO 1.13 0.08 0.29 -1.17 0.86 0.00 0.00 177.93 179.12 1qvy s LEU 190 N -10.23 -0.59 -0.02 2.43 2.96 -1.12 -4.70 118.68 107.42 1qvy s LEU 190 Ca -0.13 0.86 0.04 0.00 -0.22 0.00 0.00 54.13 54.67 1qvy s LEU 190 Cb 0.09 2.29 -0.00 0.00 0.50 0.00 0.00 46.19 49.06 1qvy s LEU 190 CO 0.69 -0.40 -0.12 -0.44 -1.32 0.00 0.00 176.35 174.75 1qvy s SER 191 N -0.58 1.52 0.20 3.68 0.01 -1.26 -0.82 113.70 116.45 1qvy s SER 191 Ca -0.04 -0.24 -0.19 0.00 1.31 0.00 0.00 55.95 56.79 1qvy s SER 191 Cb -0.02 -0.29 0.03 0.00 0.21 0.00 0.00 66.02 65.95 1qvy s SER 191 CO 0.04 0.13 0.55 -1.66 0.41 0.00 0.00 173.24 172.71 1qvy s TRP 192 N -0.08 -0.21 -0.05 2.43 -2.14 -0.63 -5.02 118.94 113.25 1qvy s TRP 192 Ca 0.01 -0.13 0.03 0.00 2.66 0.00 0.00 56.10 58.67 1qvy s TRP 192 Cb -0.07 0.45 0.01 0.00 -3.10 0.00 0.00 33.47 30.76 1qvy s TRP 192 CO 0.00 -0.93 -0.12 -2.00 -2.66 0.00 0.00 176.95 171.25 1qvy s GLU 193 N -3.85 1.45 0.25 3.25 2.12 -1.26 -0.80 118.70 119.85 1qvy s GLU 193 Ca 0.08 -0.39 -0.04 0.00 0.36 0.00 0.00 54.97 54.97 1qvy s GLU 193 Cb -0.01 -1.25 -0.02 0.00 0.26 0.00 0.00 34.13 33.11 1qvy s GLU 193 CO -0.04 0.08 0.32 1.67 -0.54 0.00 0.00 175.26 176.75 1qvy s TRP 194 N 0.45 0.94 0.05 5.30 1.48 -0.50 -3.86 118.94 122.81 1qvy s TRP 194 Ca -0.09 -1.18 0.03 0.00 -1.06 0.00 0.00 56.10 53.79 1qvy s TRP 194 Cb -0.13 -0.24 -0.03 0.00 -1.16 0.00 0.00 33.47 31.91 1qvy s TRP 194 CO 0.02 -0.87 -0.09 -0.80 -4.06 0.00 0.00 176.95 171.16 1qvy s ASN 195 N -3.15 1.03 0.08 -2.66 0.01 -1.26 -0.27 114.94 108.72 1qvy s ASN 195 Ca 0.32 -0.62 0.10 0.00 -0.71 0.00 0.00 52.86 51.95 1qvy s ASN 195 Cb 0.03 0.03 -0.03 0.00 0.41 0.00 0.00 41.25 41.68 1qvy s ASN 195 CO 0.14 -0.22 -0.26 -0.76 -1.51 0.00 0.00 177.10 174.49 1qvy s LEU 196 N -1.79 2.23 -0.18 0.60 1.02 -0.38 -1.68 118.68 118.50 1qvy s LEU 196 Ca -0.06 -0.66 0.00 0.00 0.02 0.00 0.00 54.13 53.44 1qvy s LEU 196 Cb -0.08 -1.24 0.04 0.00 0.02 0.00 0.00 46.19 44.92 1qvy s LEU 196 CO 0.00 0.22 -0.10 -0.89 0.02 0.00 0.00 176.35 175.60 1qvy s THR 197 N -0.92 1.47 -0.16 5.49 2.01 0.24 -0.37 115.64 123.40 1qvy s THR 197 Ca 0.12 -0.80 -0.22 0.00 0.31 0.00 0.00 61.69 61.10 1qvy s THR 197 Cb -0.10 -1.53 -0.03 0.00 0.01 0.00 0.00 72.50 70.85 1qvy s THR 197 CO 0.04 0.23 0.66 -0.63 -0.69 0.00 0.00 174.62 174.23 1qvy s ILE 198 N 1.49 5.02 0.15 1.82 -1.09 0.70 -1.21 121.20 128.09 1qvy s ILE 198 Ca 0.01 1.29 0.05 0.00 -2.23 0.00 0.00 60.65 59.76 1qvy s ILE 198 Cb -0.15 -3.98 -0.04 0.00 -1.58 0.00 0.00 42.46 36.70 1qvy s ILE 198 CO -0.09 0.15 -0.10 -0.13 -1.23 0.00 0.00 174.94 173.54 1qvy s ARG 199 N 1.57 1.08 0.46 2.79 1.81 -0.57 -0.20 118.95 125.89 1qvy s ARG 199 Ca 0.32 -1.46 0.15 0.00 -1.72 0.00 0.00 55.73 53.01 1qvy s ARG 199 Cb -0.16 -0.66 1.04 0.00 -0.45 0.00 0.00 34.95 34.72 1qvy s ARG 199 CO 0.12 0.08 2.01 0.00 -0.68 0.00 0.00 175.30 176.83 1qvy h ARG 200 N 2.76 0.00 -4.35 3.54 3.08 -1.96 0.45 114.38 117.90 1qvy h ARG 200 Ca -0.37 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 59.52 1qvy h ARG 200 Cb 1.19 0.00 -0.16 0.00 0.08 0.00 0.00 29.97 31.09 1qvy h ARG 200 CO 0.63 0.16 -0.69 0.34 -1.07 0.00 0.00 179.97 179.35 1qvy s ASP 201 N -6.99 0.67 0.41 7.04 -1.08 -1.26 -4.61 116.67 110.85 1qvy s ASP 201 Ca -0.04 -0.94 0.18 0.00 -0.52 0.00 0.00 52.55 51.23 1qvy s ASP 201 Cb 0.16 0.15 0.90 0.00 -1.46 0.00 0.00 42.92 42.67 1qvy s ASP 201 CO 0.69 -0.52 1.87 -0.50 0.52 0.00 0.00 175.17 177.24 1qvy h TRP 202 N 3.29 0.00 0.00 -5.34 4.06 -1.93 -3.38 115.95 112.65 1qvy h TRP 202 Ca -0.34 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.61 1qvy h TRP 202 Cb 1.16 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.32 1qvy h TRP 202 CO 0.56 0.30 -0.13 0.36 -3.56 0.00 0.00 178.44 175.97 1qvy n LYS 203 N -3.88 1.51 0.00 0.49 2.85 -1.26 -4.96 118.16 112.91 1qvy n LYS 203 Ca -0.02 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.24 1qvy n LYS 203 Cb 0.38 -0.57 0.00 0.00 -0.65 0.00 0.00 35.03 34.19 1qvy n LYS 203 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10