#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yr1 s SER 116 N 0.00 6.09 0.40 1.61 0.01 -1.26 -5.03 113.70 115.53 1yr1 s SER 116 Ca 0.00 -3.42 0.00 0.00 1.31 0.00 0.00 55.95 53.84 1yr1 s SER 116 Cb 0.00 -1.97 0.00 0.00 0.21 0.00 0.00 66.02 64.26 1yr1 s SER 116 CO 0.00 -0.27 0.00 -0.62 0.41 0.00 0.00 173.24 172.76 1yr1 n GLU 117 N 2.78 -3.01 -2.16 12.44 1.02 -1.26 -4.82 120.64 125.64 1yr1 n GLU 117 Ca 0.18 2.10 -0.33 0.00 -0.02 0.00 0.00 57.16 59.09 1yr1 n GLU 117 Cb 0.38 -3.64 -0.00 0.00 -0.02 0.00 0.00 31.44 28.17 1yr1 n GLU 117 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1yr1 s TRP 118 N -2.67 3.03 -0.03 -0.32 0.52 -1.26 -5.04 118.94 113.18 1yr1 s TRP 118 Ca 0.00 1.52 -0.12 0.00 0.02 0.00 0.00 56.10 57.52 1yr1 s TRP 118 Cb 0.00 -3.00 -0.05 0.00 -1.15 0.00 0.00 33.47 29.27 1yr1 s TRP 118 CO 0.00 -1.00 0.33 -0.98 0.02 0.00 0.00 176.95 175.32 1yr1 s ARG 119 N -3.94 3.76 -0.14 4.98 1.70 -1.26 -4.86 118.95 119.20 1yr1 s ARG 119 Ca 0.64 0.23 -0.27 0.00 -0.47 0.00 0.00 55.73 55.85 1yr1 s ARG 119 Cb -0.16 -3.19 -0.01 0.00 -0.57 0.00 0.00 34.95 31.02 1yr1 s ARG 119 CO 0.34 0.70 0.91 1.03 -1.08 0.00 0.00 175.30 177.20 1yr1 s ARG 120 N -1.16 4.36 0.00 3.89 0.52 -1.26 0.28 118.95 125.58 1yr1 s ARG 120 Ca 0.22 1.19 0.00 0.00 -0.52 0.00 0.00 55.73 56.62 1yr1 s ARG 120 Cb -0.15 -3.56 0.00 0.00 0.52 0.00 0.00 34.95 31.76 1yr1 s ARG 120 CO 0.11 -0.31 0.34 0.44 0.02 0.00 0.00 175.30 175.90 1yr1 n ILE 121 N 4.62 0.04 -3.84 1.52 -0.00 -0.74 -4.91 119.36 116.05 1yr1 n ILE 121 Ca 0.06 -0.33 -0.06 0.00 -0.00 0.00 0.00 62.75 62.43 1yr1 n ILE 121 Cb 0.49 1.34 0.01 0.00 -0.00 0.00 0.00 39.64 41.48 1yr1 n ILE 121 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1yr1 s ALA 122 N -0.04 -1.25 0.24 -1.28 0.00 -1.00 -4.21 121.76 114.23 1yr1 s ALA 122 Ca 0.00 -0.43 0.01 0.00 0.00 0.00 0.00 51.96 51.54 1yr1 s ALA 122 Cb 0.00 0.72 -0.04 0.00 0.00 0.00 0.00 23.12 23.80 1yr1 s ALA 122 CO 0.00 -1.03 0.19 0.71 0.00 0.00 0.00 175.76 175.63 1yr1 s TYR 123 N -2.50 1.33 -0.09 0.00 1.51 0.16 0.10 117.35 117.85 1yr1 s TYR 123 Ca 0.17 -1.45 -0.01 0.00 -1.01 0.00 0.00 57.07 54.77 1yr1 s TYR 123 Cb -0.04 -0.58 0.03 0.00 -0.11 0.00 0.00 41.96 41.26 1yr1 s TYR 123 CO 0.07 -0.73 -0.04 0.08 -1.11 0.00 0.00 175.55 173.82 1yr1 s VAL 124 N -3.91 0.71 -0.46 0.71 1.01 0.14 0.68 120.40 119.29 1yr1 s VAL 124 Ca 0.39 -0.09 -0.29 0.00 0.00 0.00 0.00 61.98 61.99 1yr1 s VAL 124 Cb 0.05 -0.79 0.03 0.00 0.00 0.00 0.00 36.38 35.67 1yr1 s VAL 124 CO 0.17 0.31 1.11 -0.47 0.00 0.00 0.00 175.10 176.23 1yr1 s TYR 125 N 1.80 2.87 -0.24 5.22 6.14 0.26 0.10 117.35 133.51 1yr1 s TYR 125 Ca 0.04 0.75 -0.18 0.00 0.64 0.00 0.00 57.07 58.32 1yr1 s TYR 125 Cb -0.12 -4.30 0.07 0.00 0.42 0.00 0.00 41.96 38.02 1yr1 s TYR 125 CO -0.07 -1.19 0.61 0.34 0.64 0.00 0.00 175.55 175.88 1yr1 s ASP 126 N 2.34 -0.71 -1.34 4.32 -1.08 -0.11 -4.18 116.67 115.91 1yr1 s ASP 126 Ca 0.47 1.27 -0.06 0.00 -0.52 0.00 0.00 52.55 53.70 1yr1 s ASP 126 Cb -0.08 1.23 0.02 0.00 -1.46 0.00 0.00 42.92 42.63 1yr1 s ASP 126 CO 0.29 -0.22 1.04 -1.14 0.52 0.00 0.00 175.17 175.66 1yr1 n ARG 127 N 3.39 -6.81 -2.35 4.34 0.63 -1.26 -1.50 116.66 113.09 1yr1 n ARG 127 Ca -0.17 0.77 -0.15 0.00 -0.92 0.00 0.00 57.85 57.38 1yr1 n ARG 127 Cb 0.57 -5.72 -0.01 0.00 0.45 0.00 0.00 32.46 27.74 1yr1 n ARG 127 CO 0.00 0.00 0.00 0.94 -2.51 0.00 0.00 177.63 176.06 1yr1 n GLN 128 N -4.63 -1.99 -3.85 -0.14 7.27 -1.26 -4.94 117.38 107.84 1yr1 n GLN 128 Ca -0.10 0.75 -0.12 0.00 0.07 0.00 0.00 57.00 57.60 1yr1 n GLN 128 Cb 0.60 -5.35 -0.12 0.00 2.41 0.00 0.00 30.24 27.79 1yr1 n GLN 128 CO 0.00 0.00 0.00 0.99 0.07 0.00 0.00 177.06 178.12 1yr1 s THR 129 N -2.72 0.04 -0.42 1.69 2.01 -0.57 -4.64 115.64 111.03 1yr1 s THR 129 Ca 0.00 -0.29 -0.18 0.00 0.31 0.00 0.00 61.69 61.52 1yr1 s THR 129 Cb 0.00 -0.29 0.02 0.00 0.01 0.00 0.00 72.50 72.24 1yr1 s THR 129 CO 0.00 -0.16 0.49 -0.36 -0.69 0.00 0.00 174.62 173.90 1yr1 s PHE 130 N -0.52 3.14 -0.15 4.92 0.40 0.13 -0.93 117.98 124.98 1yr1 s PHE 130 Ca -0.06 -0.24 -0.26 0.00 -0.60 0.00 0.00 56.93 55.77 1yr1 s PHE 130 Cb -0.04 -3.00 -0.01 0.00 0.51 0.00 0.00 43.02 40.47 1yr1 s PHE 130 CO 0.01 -0.72 0.87 -0.06 0.70 0.00 0.00 175.22 176.02 1yr1 s PHE 131 N 2.33 3.45 0.15 0.36 0.08 0.12 -1.36 117.98 123.11 1yr1 s PHE 131 Ca 0.15 1.34 -0.32 0.00 0.12 0.00 0.00 56.93 58.23 1yr1 s PHE 131 Cb -0.16 -3.05 -0.11 0.00 -0.57 0.00 0.00 43.02 39.12 1yr1 s PHE 131 CO 0.15 -0.23 1.78 -2.30 -0.10 0.00 0.00 175.22 174.52 1yr1 n PRO 132 N 5.15 2.73 -4.12 0.24 -0.02 -1.22 0.26 135.00 138.01 1yr1 n PRO 132 Ca 0.05 0.99 -0.35 0.00 -2.02 0.00 0.00 63.50 62.18 1yr1 n PRO 132 Cb 0.49 -2.86 -0.13 0.00 -0.02 0.00 0.00 33.50 30.98 1yr1 n PRO 132 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1yr1 s LEU 133 N 2.06 3.17 0.62 2.45 0.20 0.28 -0.91 118.68 126.55 1yr1 s LEU 133 Ca 0.79 -0.23 -0.06 0.00 0.69 0.00 0.00 54.13 55.32 1yr1 s LEU 133 Cb -0.51 -1.79 0.02 0.00 -0.43 0.00 0.00 46.19 43.47 1yr1 s LEU 133 CO 0.36 0.07 0.93 -0.76 -0.29 0.00 0.00 176.35 176.66 1yr1 s LEU 134 N 0.97 3.14 0.51 -0.68 1.43 -0.92 -1.79 118.68 121.34 1yr1 s LEU 134 Ca 0.01 0.70 0.22 0.00 -1.03 0.00 0.00 54.13 54.03 1yr1 s LEU 134 Cb -0.14 -3.49 1.32 0.00 0.03 0.00 0.00 46.19 43.90 1yr1 s LEU 134 CO 0.01 -1.18 2.00 1.05 0.23 0.00 0.00 176.35 178.47 1yr1 h GLU 135 N -0.28 0.07 -0.55 1.70 4.11 -0.48 0.33 114.58 119.48 1yr1 h GLU 135 Ca -0.45 -0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.97 1yr1 h GLU 135 Cb 1.27 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.50 1yr1 h GLU 135 CO 0.61 0.05 0.00 0.27 0.07 0.00 0.00 179.01 180.01 1yr1 n ASN 136 N -4.41 2.52 0.00 3.06 6.94 -1.26 -3.94 115.26 118.17 1yr1 n ASN 136 Ca 0.09 -2.19 0.00 0.00 -0.02 0.00 0.00 54.58 52.46 1yr1 n ASN 136 Cb 0.52 -0.39 0.00 0.00 -2.36 0.00 0.00 39.78 37.55 1yr1 n ASN 136 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1yr1 n GLY 137 N 0.75 0.72 3.55 4.83 0.00 0.11 -4.88 105.19 110.27 1yr1 n GLY 137 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 1yr1 n GLY 137 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1yr1 s ARG 138 N -0.17 2.01 0.01 1.61 6.06 -1.25 -4.55 118.95 122.67 1yr1 s ARG 138 Ca 0.00 1.07 -0.30 0.00 -2.50 0.00 0.00 55.73 54.00 1yr1 s ARG 138 Cb 0.00 -4.64 -0.04 0.00 0.06 0.00 0.00 34.95 30.34 1yr1 s ARG 138 CO 0.00 -3.56 1.05 -1.17 -2.50 0.00 0.00 175.30 169.12 1yr1 s LEU 139 N 12.66 4.36 -0.65 -0.88 0.20 -1.26 -2.16 118.68 130.95 1yr1 s LEU 139 Ca 0.94 1.76 -0.07 0.00 0.69 0.00 0.00 54.13 57.45 1yr1 s LEU 139 Cb -0.15 -3.57 0.17 0.00 -0.43 0.00 0.00 46.19 42.20 1yr1 s LEU 139 CO 0.20 -0.34 0.51 -0.76 -0.29 0.00 0.00 176.35 175.67 1yr1 s LEU 140 N 1.11 5.74 0.30 -0.68 1.43 -0.09 -4.90 118.68 121.59 1yr1 s LEU 140 Ca 0.54 -2.62 0.13 0.00 -1.03 0.00 0.00 54.13 51.15 1yr1 s LEU 140 Cb -0.23 -1.98 0.42 0.00 0.03 0.00 0.00 46.19 44.43 1yr1 s LEU 140 CO 0.28 -0.49 1.63 0.11 0.23 0.00 0.00 176.35 178.11 1yr1 h LYS 141 N 7.52 0.00 0.00 1.70 1.57 -1.93 -2.95 116.57 122.48 1yr1 h LYS 141 Ca -0.02 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 1yr1 h LYS 141 Cb 1.00 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.31 1yr1 h LYS 141 CO 0.75 0.56 -0.14 1.96 -0.57 0.00 0.00 179.45 182.01 1yr1 h GLN 142 N 0.00 0.00 -0.84 3.15 4.20 -1.99 -3.24 115.11 116.39 1yr1 h GLN 142 Ca -0.01 0.00 -0.38 0.00 0.06 0.00 0.00 58.65 58.32 1yr1 h GLN 142 Cb 1.06 0.00 -0.23 0.00 0.30 0.00 0.00 27.48 28.62 1yr1 h GLN 142 CO 0.07 0.11 0.45 0.39 -0.67 0.00 0.00 178.83 179.18 1yr1 n GLU 143 N -3.11 2.68 -1.70 1.46 -0.58 -1.12 -4.99 120.64 113.27 1yr1 n GLU 143 Ca 0.03 -3.05 -0.31 0.00 -0.42 0.00 0.00 57.16 53.41 1yr1 n GLU 143 Cb 0.58 -2.15 0.03 0.00 -0.57 0.00 0.00 31.44 29.33 1yr1 n GLU 143 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 1yr1 s GLY 144 N -1.36 1.71 0.16 0.62 0.00 -1.22 -4.11 107.32 103.13 1yr1 s GLY 144 Ca 0.55 0.07 0.07 0.00 0.00 0.00 0.00 44.72 45.40 1yr1 s GLY 144 CO 0.11 0.37 -0.14 -1.08 0.00 0.00 0.00 173.10 172.35 1yr1 s THR 145 N -3.02 1.50 -0.38 0.90 -1.32 -0.46 -4.87 115.64 107.99 1yr1 s THR 145 Ca 0.58 -1.98 0.06 0.00 -1.21 0.00 0.00 61.69 59.14 1yr1 s THR 145 Cb -0.13 -1.80 0.52 0.00 -1.51 0.00 0.00 72.50 69.58 1yr1 s THR 145 CO 0.53 -0.53 1.54 2.29 -2.21 0.00 0.00 174.62 176.24 1yr1 n LYS 146 N 0.05 2.72 -3.84 7.08 -0.00 -1.26 0.23 118.16 123.13 1yr1 n LYS 146 Ca -0.12 -2.19 -0.12 0.00 -0.00 0.00 0.00 58.31 55.88 1yr1 n LYS 146 Cb 0.59 -1.93 -0.14 0.00 -0.00 0.00 0.00 35.03 33.55 1yr1 n LYS 146 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.40 177.32 1yr1 s THR 147 N -2.31 -0.00 -0.28 0.58 -1.32 -1.26 -5.00 115.64 106.05 1yr1 s THR 147 Ca 0.40 0.01 -0.29 0.00 -1.21 0.00 0.00 61.69 60.61 1yr1 s THR 147 Cb 0.32 -0.10 -0.02 0.00 -1.51 0.00 0.00 72.50 71.19 1yr1 s THR 147 CO 0.09 0.01 1.75 0.00 -2.21 0.00 0.00 174.62 174.26 1yr1 s ALA 148 N 0.11 3.01 -0.52 11.08 0.00 -1.26 -4.69 121.76 129.48 1yr1 s ALA 148 Ca -0.01 0.37 -0.26 0.00 0.00 0.00 0.00 51.96 52.06 1yr1 s ALA 148 Cb -0.01 -3.96 -0.05 0.00 0.00 0.00 0.00 23.12 19.10 1yr1 s ALA 148 CO -0.00 -2.39 2.20 -2.14 0.00 0.00 0.00 175.76 173.43 1yr1 s PRO 149 N 5.34 2.32 0.30 0.00 0.02 -1.26 -4.81 135.00 136.91 1yr1 s PRO 149 Ca 0.78 1.14 0.23 0.00 0.02 0.00 0.00 61.00 63.18 1yr1 s PRO 149 Cb -0.24 -4.51 1.09 0.00 0.02 0.00 0.00 34.50 30.87 1yr1 s PRO 149 CO 0.33 -3.04 1.71 0.45 -0.33 0.00 0.00 177.00 176.11 1yr1 n SER 150 N 14.64 0.65 0.11 2.53 2.88 -1.26 -1.96 113.62 131.21 1yr1 n SER 150 Ca 0.31 0.72 -0.02 0.00 -1.33 0.00 0.00 58.87 58.55 1yr1 n SER 150 Cb 0.54 -0.83 -0.03 0.00 -0.75 0.00 0.00 64.21 63.14 1yr1 n SER 150 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 1yr1 h ASP 151 N 0.00 0.00 -5.19 -3.46 5.19 -1.89 -3.47 116.42 107.60 1yr1 h ASP 151 Ca 0.00 0.00 -0.16 0.00 -0.62 0.00 0.00 57.03 56.25 1yr1 h ASP 151 Cb 0.21 0.00 -0.15 0.00 0.18 0.00 0.00 39.33 39.57 1yr1 h ASP 151 CO 0.00 0.72 -0.67 0.00 -3.12 0.00 0.00 179.24 176.17 1yr1 s ALA 152 N -2.88 0.71 0.99 3.45 0.00 -0.83 -4.69 121.76 118.52 1yr1 s ALA 152 Ca 0.02 -1.32 -0.14 0.00 0.00 0.00 0.00 51.96 50.52 1yr1 s ALA 152 Cb 0.09 0.46 0.19 0.00 0.00 0.00 0.00 23.12 23.85 1yr1 s ALA 152 CO 0.78 -0.39 1.15 -1.25 0.00 0.00 0.00 175.76 176.05 1yr1 s PRO 153 N -3.95 0.45 0.12 0.00 0.04 -1.25 -4.59 135.00 125.81 1yr1 s PRO 153 Ca 0.14 0.13 0.06 0.00 0.04 0.00 0.00 61.00 61.36 1yr1 s PRO 153 Cb 0.07 -1.77 -0.04 0.00 0.04 0.00 0.00 34.50 32.80 1yr1 s PRO 153 CO -0.05 -2.63 -0.13 0.08 0.04 0.00 0.00 177.00 174.30 1yr1 s VAL 154 N -3.27 1.29 -0.45 -0.36 1.01 -1.25 0.35 120.40 117.72 1yr1 s VAL 154 Ca 0.67 -1.72 -0.02 0.00 0.00 0.00 0.00 61.98 60.91 1yr1 s VAL 154 Cb -0.12 -1.53 0.12 0.00 0.00 0.00 0.00 36.38 34.85 1yr1 s VAL 154 CO 0.54 -0.44 0.24 -0.76 0.00 0.00 0.00 175.10 174.68 1yr1 s LEU 155 N -2.48 5.15 0.06 3.92 1.43 0.21 0.50 118.68 127.47 1yr1 s LEU 155 Ca 0.09 -2.25 -0.27 0.00 -1.03 0.00 0.00 54.13 50.66 1yr1 s LEU 155 Cb -0.04 -1.80 -0.05 0.00 0.03 0.00 0.00 46.19 44.32 1yr1 s LEU 155 CO 0.03 -0.48 0.85 -0.69 0.23 0.00 0.00 176.35 176.29 1yr1 s VAL 156 N 0.81 4.68 -0.34 -1.59 1.01 0.18 -0.58 120.40 124.58 1yr1 s VAL 156 Ca 0.11 1.82 -0.07 0.00 0.00 0.00 0.00 61.98 63.84 1yr1 s VAL 156 Cb -0.22 -4.21 0.01 0.00 0.00 0.00 0.00 36.38 31.96 1yr1 s VAL 156 CO -0.04 0.32 0.25 0.61 0.00 0.00 0.00 175.10 176.24 1yr1 n GLY 157 N 2.44 -2.91 2.94 4.51 0.00 -1.26 -2.06 105.19 108.85 1yr1 n GLY 157 Ca 0.00 0.75 -0.13 0.00 0.00 0.00 0.00 46.02 46.64 1yr1 n GLY 157 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1yr1 s TRP 158 N -1.96 -0.49 -0.10 1.61 0.52 -1.26 -4.47 118.94 112.80 1yr1 s TRP 158 Ca 0.10 0.79 0.13 0.00 0.02 0.00 0.00 56.10 57.15 1yr1 s TRP 158 Cb -0.03 -0.08 -0.19 0.00 -1.15 0.00 0.00 33.47 32.01 1yr1 s TRP 158 CO 0.72 -0.50 0.15 1.63 0.02 0.00 0.00 176.95 178.97 1yr1 n LYS 159 N 5.35 1.26 -3.21 4.98 5.02 -1.26 -4.83 118.16 125.46 1yr1 n LYS 159 Ca -0.06 -0.05 -0.46 0.00 -2.02 0.00 0.00 58.31 55.72 1yr1 n LYS 159 Cb 0.50 -1.36 -0.03 0.00 -0.02 0.00 0.00 35.03 34.11 1yr1 n LYS 159 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1yr1 s ASP 160 N -4.37 6.47 0.65 4.39 1.01 -1.26 -4.89 116.67 118.68 1yr1 s ASP 160 Ca -0.06 -2.08 0.38 0.00 0.71 0.00 0.00 52.55 51.50 1yr1 s ASP 160 Cb 0.06 -2.26 2.10 0.00 1.01 0.00 0.00 42.92 43.83 1yr1 s ASP 160 CO 0.59 -0.85 2.22 1.23 0.21 0.00 0.00 175.17 178.58 1yr1 h GLY 161 N 8.97 0.00 1.05 0.21 0.00 -1.99 0.21 103.07 111.52 1yr1 h GLY 161 Ca -0.08 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.21 1yr1 h GLY 161 CO 0.96 0.00 0.34 -0.55 0.00 0.00 0.00 176.54 177.28 1yr1 h ASP 162 N 0.00 1.11 0.30 0.19 3.32 -1.98 0.10 116.42 119.46 1yr1 h ASP 162 Ca 0.01 -0.17 -0.16 0.00 0.02 0.00 0.00 57.03 56.74 1yr1 h ASP 162 Cb 0.22 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 1yr1 h ASP 162 CO -0.00 0.97 -0.63 0.00 -1.72 0.00 0.00 179.24 177.86 1yr1 h ALA 163 N 1.19 0.76 0.16 3.45 0.00 -1.03 -2.92 119.26 120.87 1yr1 h ALA 163 Ca 0.27 -0.56 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 1yr1 h ALA 163 Cb 0.20 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1yr1 h ALA 163 CO -0.02 0.74 -0.08 0.82 0.00 0.00 0.00 179.25 180.70 1yr1 h ILE 164 N 0.23 0.89 -0.49 0.00 2.04 -0.58 -2.06 117.51 117.55 1yr1 h ILE 164 Ca -0.01 -0.21 0.12 0.00 1.00 0.00 0.00 64.86 65.76 1yr1 h ILE 164 Cb 1.16 1.02 -0.02 0.00 -0.74 0.00 0.00 36.82 38.24 1yr1 h ILE 164 CO 0.10 0.05 0.34 0.00 0.00 0.00 0.00 178.15 178.65 1yr1 h ALA 165 N 0.51 2.33 0.05 1.87 0.00 -0.81 -0.44 119.26 122.76 1yr1 h ALA 165 Ca -0.02 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1yr1 h ALA 165 Cb 0.25 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1yr1 h ALA 165 CO 0.04 -0.47 -0.02 0.93 0.00 0.00 0.00 179.25 179.73 1yr1 h GLU 166 N 0.09 -0.06 0.22 0.00 4.39 -1.24 -0.78 114.58 117.20 1yr1 h GLU 166 Ca 0.23 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.93 1yr1 h GLU 166 Cb 0.80 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.46 1yr1 h GLU 166 CO -0.02 0.31 -0.11 0.52 -1.16 0.00 0.00 179.01 178.55 1yr1 h MET 167 N -0.45 -0.29 -0.51 2.33 2.86 -0.60 -2.07 114.93 116.20 1yr1 h MET 167 Ca -0.01 0.02 0.06 0.00 -2.06 0.00 0.00 59.70 57.72 1yr1 h MET 167 Cb 0.40 0.07 -0.03 0.00 0.06 0.00 0.00 31.60 32.10 1yr1 h MET 167 CO 0.01 -0.20 0.34 1.15 1.06 0.00 0.00 176.91 179.27 1yr1 h THR 168 N -0.30 0.97 -0.69 2.22 2.02 -1.17 -0.92 112.91 115.02 1yr1 h THR 168 Ca -0.03 -0.15 0.01 0.00 0.77 0.00 0.00 66.41 67.02 1yr1 h THR 168 Cb 0.24 0.50 -0.04 0.00 -1.74 0.00 0.00 68.15 67.11 1yr1 h THR 168 CO 0.04 0.08 0.45 1.23 0.37 0.00 0.00 175.52 177.69 1yr1 h GLY 169 N 0.43 0.99 1.11 2.16 0.00 -0.46 -0.65 103.07 106.65 1yr1 h GLY 169 Ca 0.22 -0.35 -0.06 0.00 0.00 0.00 0.00 47.33 47.14 1yr1 h GLY 169 CO -0.06 0.33 0.20 1.46 0.00 0.00 0.00 176.54 178.47 1yr1 h GLN 170 N 0.91 1.10 0.00 4.80 1.08 -0.70 -2.24 115.11 120.06 1yr1 h GLN 170 Ca 0.26 -0.24 -0.05 0.00 -1.45 0.00 0.00 58.65 57.17 1yr1 h GLN 170 Cb -0.07 -0.16 -0.01 0.00 -0.05 0.00 0.00 27.48 27.20 1yr1 h GLN 170 CO -0.07 0.95 -0.23 -0.07 -0.95 0.00 0.00 178.83 178.46 1yr1 h LEU 171 N 1.06 0.00 -0.77 1.46 4.07 -0.82 -0.04 115.31 120.26 1yr1 h LEU 171 Ca 0.23 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.19 1yr1 h LEU 171 Cb 0.33 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.07 1yr1 h LEU 171 CO -0.00 0.23 0.00 0.00 -1.08 0.00 0.00 178.44 177.59 1yr1 h ALA 172 N 1.77 1.00 0.00 1.53 0.00 -0.52 -3.31 119.26 119.73 1yr1 h ALA 172 Ca -0.00 0.00 -0.39 0.00 0.00 0.00 0.00 54.91 54.52 1yr1 h ALA 172 Cb 0.49 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.21 1yr1 h ALA 172 CO 0.03 0.00 -2.46 -0.85 0.00 0.00 0.00 179.25 175.97 1yr1 n GLU 173 N -3.07 0.63 -1.57 0.00 0.28 -0.84 -4.99 120.64 111.08 1yr1 n GLU 173 Ca 0.02 0.16 -0.32 0.00 -0.16 0.00 0.00 57.16 56.85 1yr1 n GLU 173 Cb 0.41 -1.51 0.06 0.00 1.43 0.00 0.00 31.44 31.84 1yr1 n GLU 173 CO 0.00 0.00 0.00 -1.17 -0.16 0.00 0.00 177.13 175.80 1yr1 s LEU 174 N -6.57 3.26 0.09 -1.84 0.20 -0.09 -4.92 118.68 108.81 1yr1 s LEU 174 Ca -0.35 1.94 -0.36 0.00 0.69 0.00 0.00 54.13 56.05 1yr1 s LEU 174 Cb 0.09 -4.54 -0.16 0.00 -0.43 0.00 0.00 46.19 41.15 1yr1 s LEU 174 CO 0.58 -1.80 1.41 -2.65 -0.29 0.00 0.00 176.35 173.61 1yr1 n PRO 175 N -2.83 1.37 -0.35 0.98 -0.02 -1.26 -4.85 135.00 128.04 1yr1 n PRO 175 Ca 0.10 0.50 0.08 0.00 -2.02 0.00 0.00 63.50 62.15 1yr1 n PRO 175 Cb 0.52 -2.17 0.26 0.00 -0.02 0.00 0.00 33.50 32.09 1yr1 n PRO 175 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1yr1 h ALA 176 N 5.00 1.56 -0.64 3.55 0.00 -1.91 -0.12 119.26 126.70 1yr1 h ALA 176 Ca -0.47 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.43 1yr1 h ALA 176 Cb 1.32 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.88 1yr1 h ALA 176 CO 0.81 0.19 0.28 0.00 0.00 0.00 0.00 179.25 180.53 1yr1 h ALA 177 N 1.55 1.29 0.95 0.00 0.00 -1.92 0.38 119.26 121.50 1yr1 h ALA 177 Ca 0.49 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 55.21 1yr1 h ALA 177 Cb 0.52 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 18.06 1yr1 h ALA 177 CO -0.26 0.54 -0.46 0.28 0.00 0.00 0.00 179.25 179.35 1yr1 h VAL 178 N 0.91 0.00 0.00 0.00 2.07 -1.24 -0.57 116.25 117.42 1yr1 h VAL 178 Ca 0.22 -0.07 -0.01 0.00 0.82 0.00 0.00 66.70 67.66 1yr1 h VAL 178 Cb 0.14 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 29.91 1yr1 h VAL 178 CO -0.02 0.00 -0.04 0.17 0.02 0.00 0.00 177.57 177.70 1yr1 h LEU 179 N -1.34 0.00 -0.86 2.57 8.10 -1.31 -0.18 115.31 122.29 1yr1 h LEU 179 Ca -0.13 0.00 -0.06 0.00 0.11 0.00 0.00 57.88 57.80 1yr1 h LEU 179 Cb 0.98 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 41.19 1yr1 h LEU 179 CO 0.21 0.04 -0.29 1.23 -4.11 0.00 0.00 178.44 175.52 1yr1 h GLY 180 N 0.33 0.00 -7.48 0.17 0.00 0.29 -3.35 103.07 93.04 1yr1 h GLY 180 Ca -0.00 0.00 -0.74 0.00 0.00 0.00 0.00 47.33 46.58 1yr1 h GLY 180 CO 0.00 0.00 1.43 0.00 0.00 0.00 0.00 176.54 177.98 1yr1 n ALA 181 N -2.23 4.17 0.00 3.60 0.00 -0.08 -4.77 120.51 121.19 1yr1 n ALA 181 Ca 0.00 -4.28 0.00 0.00 0.00 0.00 0.00 53.44 49.16 1yr1 n ALA 181 Cb 0.50 -3.01 0.00 0.00 0.00 0.00 0.00 19.45 16.94 1yr1 n ALA 181 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1yr1 n MET 182 N 5.15 0.00 -0.04 0.00 0.00 -1.26 -3.86 117.12 117.11 1yr1 n MET 182 Ca 0.37 0.00 -0.00 0.00 0.00 0.00 0.00 57.70 58.07 1yr1 n MET 182 Cb 0.41 0.00 -0.00 0.00 0.00 0.00 0.00 33.22 33.63 1yr1 n MET 182 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 175.97 176.74 1yr1 h SER 183 N 0.00 0.00 -5.02 3.17 0.02 -0.39 -3.40 113.55 107.94 1yr1 h SER 183 Ca 0.00 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.85 1yr1 h SER 183 Cb 0.00 0.00 -0.18 0.00 0.14 0.00 0.00 62.40 62.36 1yr1 h SER 183 CO 0.00 0.40 -0.18 -1.83 -1.14 0.00 0.00 176.83 174.09 1yr1 s GLU 184 N -1.45 0.80 -0.15 3.45 -1.05 -1.25 -3.74 118.70 115.31 1yr1 s GLU 184 Ca -0.00 -0.25 -0.06 0.00 -0.15 0.00 0.00 54.97 54.51 1yr1 s GLU 184 Cb 0.00 0.36 -0.04 0.00 -0.44 0.00 0.00 34.13 34.01 1yr1 s GLU 184 CO 0.00 -0.25 0.05 0.42 0.95 0.00 0.00 175.26 176.44 1yr1 s ILE 185 N -1.85 4.73 -0.33 1.83 1.01 0.18 -1.27 121.20 125.50 1yr1 s ILE 185 Ca -0.10 -0.07 -0.08 0.00 0.00 0.00 0.00 60.65 60.41 1yr1 s ILE 185 Cb -0.03 -3.08 0.02 0.00 0.01 0.00 0.00 42.46 39.38 1yr1 s ILE 185 CO 0.02 0.52 0.13 -1.00 0.00 0.00 0.00 174.94 174.61 1yr1 s HIS 186 N -0.15 3.21 -0.37 3.97 3.76 0.16 0.50 115.29 126.38 1yr1 s HIS 186 Ca 0.07 -1.09 -0.28 0.00 -0.15 0.00 0.00 55.06 53.61 1yr1 s HIS 186 Cb -0.12 -2.32 -0.03 0.00 1.11 0.00 0.00 32.58 31.22 1yr1 s HIS 186 CO 0.01 -0.64 1.99 -0.47 -0.85 0.00 0.00 174.74 174.79 1yr1 s TYR 187 N 1.49 1.53 -0.56 1.40 5.04 -0.88 -0.76 117.35 124.60 1yr1 s TYR 187 Ca 0.01 0.77 0.05 0.00 -2.44 0.00 0.00 57.07 55.46 1yr1 s TYR 187 Cb -0.18 -4.00 0.17 0.00 0.35 0.00 0.00 41.96 38.30 1yr1 s TYR 187 CO 0.04 -3.05 0.43 1.63 -1.34 0.00 0.00 175.55 173.26 1yr1 n LYS 188 N 8.72 1.05 -1.12 4.97 5.02 -0.38 -4.95 118.16 131.47 1yr1 n LYS 188 Ca 0.26 -3.86 -0.31 0.00 -2.02 0.00 0.00 58.31 52.38 1yr1 n LYS 188 Cb 0.48 -1.99 0.12 0.00 -0.02 0.00 0.00 35.03 33.62 1yr1 n LYS 188 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1yr1 s PRO 189 N -0.76 1.81 0.10 1.97 0.04 -1.10 -4.34 135.00 132.72 1yr1 s PRO 189 Ca 0.29 1.19 -0.00 0.00 0.04 0.00 0.00 61.00 62.52 1yr1 s PRO 189 Cb 0.00 -1.84 -0.04 0.00 0.04 0.00 0.00 34.50 32.66 1yr1 s PRO 189 CO -0.18 -1.97 -0.00 0.95 0.04 0.00 0.00 177.00 175.84 1yr1 s THR 190 N -2.85 0.32 0.59 1.26 -4.23 0.87 -4.91 115.64 106.70 1yr1 s THR 190 Ca 0.63 -1.89 0.28 0.00 -1.18 0.00 0.00 61.69 59.53 1yr1 s THR 190 Cb -0.19 -1.82 0.37 0.00 1.34 0.00 0.00 72.50 72.20 1yr1 s THR 190 CO 0.57 -0.71 2.01 0.08 -0.54 0.00 0.00 174.62 176.02 1yr1 h ARG 191 N 2.95 0.00 0.00 3.99 0.11 -1.99 -0.40 114.38 119.04 1yr1 h ARG 191 Ca -0.35 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.73 1yr1 h ARG 191 Cb 1.17 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.25 1yr1 h ARG 191 CO 0.63 0.00 -1.67 0.39 0.10 0.00 0.00 179.97 179.41 1yr1 n GLU 192 N -3.79 0.64 -3.50 0.08 1.02 -1.26 -4.78 120.64 109.04 1yr1 n GLU 192 Ca 0.05 -0.14 -0.28 0.00 -0.02 0.00 0.00 57.16 56.77 1yr1 n GLU 192 Cb 0.49 -1.40 -0.11 0.00 -0.02 0.00 0.00 31.44 30.39 1yr1 n GLU 192 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1yr1 s TYR 193 N -3.14 1.37 0.66 -0.32 2.02 -0.18 -4.96 117.35 112.80 1yr1 s TYR 193 Ca -0.05 -2.29 0.39 0.00 -0.37 0.00 0.00 57.07 54.76 1yr1 s TYR 193 Cb 0.11 -1.22 2.14 0.00 -0.40 0.00 0.00 41.96 42.60 1yr1 s TYR 193 CO 0.73 -0.79 2.23 0.93 -1.57 0.00 0.00 175.55 177.07 1yr1 h GLU 194 N 6.05 0.00 -0.74 -0.62 5.08 -1.80 0.28 114.58 122.83 1yr1 h GLU 194 Ca 0.18 0.00 -0.52 0.00 -1.00 0.00 0.00 59.36 58.01 1yr1 h GLU 194 Cb 0.91 0.00 -0.34 0.00 0.50 0.00 0.00 28.75 29.82 1yr1 h GLU 194 CO 0.40 0.00 -0.30 -0.25 -1.00 0.00 0.00 179.01 177.86 1yr1 n ASP 195 N -3.10 5.22 -4.63 1.42 8.00 -1.26 -4.59 116.55 117.60 1yr1 n ASP 195 Ca -0.02 -3.77 -0.42 0.00 0.71 0.00 0.00 54.79 51.28 1yr1 n ASP 195 Cb 0.17 -0.54 -0.03 0.00 -0.02 0.00 0.00 41.12 40.70 1yr1 n ASP 195 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1yr1 s ARG 196 N -3.60 4.08 -0.09 -1.24 3.52 -0.44 -1.02 118.95 120.16 1yr1 s ARG 196 Ca 0.53 0.94 0.04 0.00 -0.13 0.00 0.00 55.73 57.11 1yr1 s ARG 196 Cb 0.43 -3.71 -0.01 0.00 -1.56 0.00 0.00 34.95 30.11 1yr1 s ARG 196 CO 0.02 -0.74 -0.20 0.14 -0.81 0.00 0.00 175.30 173.71 1yr1 s VAL 197 N 3.25 2.43 -0.40 7.11 -7.23 0.16 -1.25 120.40 124.47 1yr1 s VAL 197 Ca 0.40 -0.91 -0.11 0.00 -1.81 0.00 0.00 61.98 59.54 1yr1 s VAL 197 Cb -0.14 -1.94 0.05 0.00 0.56 0.00 0.00 36.38 34.91 1yr1 s VAL 197 CO 0.12 0.56 0.25 -0.63 -0.31 0.00 0.00 175.10 175.09 1yr1 s ILE 198 N 0.04 4.63 0.35 -0.62 -1.09 0.06 0.11 121.20 124.67 1yr1 s ILE 198 Ca -0.08 -1.02 -0.12 0.00 -2.23 0.00 0.00 60.65 57.20 1yr1 s ILE 198 Cb -0.15 -3.68 -0.07 0.00 -1.58 0.00 0.00 42.46 36.98 1yr1 s ILE 198 CO 0.05 -0.37 0.73 0.68 -1.23 0.00 0.00 174.94 174.81 1yr1 s VAL 199 N 1.54 4.76 -0.42 2.92 -7.23 0.12 0.39 120.40 122.48 1yr1 s VAL 199 Ca 0.03 0.73 -0.05 0.00 -1.81 0.00 0.00 61.98 60.87 1yr1 s VAL 199 Cb -0.21 -3.67 0.11 0.00 0.56 0.00 0.00 36.38 33.17 1yr1 s VAL 199 CO 0.06 -0.34 0.24 -0.31 -0.31 0.00 0.00 175.10 174.44 1yr1 s TYR 200 N -2.16 3.51 0.60 2.82 1.51 -0.40 -0.51 117.35 122.72 1yr1 s TYR 200 Ca 0.52 -2.18 -0.19 0.00 -1.01 0.00 0.00 57.07 54.22 1yr1 s TYR 200 Cb -0.10 -3.24 -0.05 0.00 -0.11 0.00 0.00 41.96 38.46 1yr1 s TYR 200 CO 0.25 -0.96 0.95 -0.12 -1.11 0.00 0.00 175.55 174.55 1yr1 n MET 201 N 4.71 0.89 0.30 -0.62 1.56 -0.05 0.28 117.12 124.18 1yr1 n MET 201 Ca -0.05 0.34 0.19 0.00 -0.27 0.00 0.00 57.70 57.92 1yr1 n MET 201 Cb 0.41 -2.15 0.90 0.00 2.15 0.00 0.00 33.22 34.54 1yr1 n MET 201 CO 0.00 0.00 0.00 -2.95 -0.73 0.00 0.00 175.97 172.29 1yr1 h ASN 202 N 0.50 0.00 1.02 6.12 -1.07 -1.86 -1.87 115.58 118.42 1yr1 h ASN 202 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 56.30 55.89 1yr1 h ASN 202 Cb 1.36 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.61 1yr1 h ASN 202 CO 0.51 0.01 0.00 0.47 0.07 0.00 0.00 177.43 178.49 1yr1 n ASP 203 N -3.11 0.56 0.00 6.14 8.00 -1.26 -4.88 116.55 121.99 1yr1 n ASP 203 Ca -0.01 0.59 0.00 0.00 0.71 0.00 0.00 54.79 56.08 1yr1 n ASP 203 Cb 0.21 -0.73 0.00 0.00 -0.02 0.00 0.00 41.12 40.58 1yr1 n ASP 203 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1yr1 n GLY 204 N 0.69 1.18 3.72 0.44 0.00 -0.70 -5.11 105.19 105.39 1yr1 n GLY 204 Ca 0.04 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.83 1yr1 n GLY 204 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1yr1 s TYR 205 N -2.00 2.76 -0.21 1.61 1.51 -1.24 -4.96 117.35 114.81 1yr1 s TYR 205 Ca 0.00 -0.29 -0.03 0.00 -1.01 0.00 0.00 57.07 55.74 1yr1 s TYR 205 Cb 0.00 -1.46 -0.01 0.00 -0.11 0.00 0.00 41.96 40.39 1yr1 s TYR 205 CO 0.00 0.46 -0.06 -2.00 -1.11 0.00 0.00 175.55 172.84 1yr1 s GLU 206 N -3.79 3.36 0.25 -0.62 2.12 -1.26 -0.87 118.70 117.89 1yr1 s GLU 206 Ca 0.35 -0.64 0.11 0.00 0.36 0.00 0.00 54.97 55.15 1yr1 s GLU 206 Cb -0.05 -2.96 -0.05 0.00 0.26 0.00 0.00 34.13 31.34 1yr1 s GLU 206 CO 0.22 -0.17 -0.16 0.08 -0.54 0.00 0.00 175.26 174.69 1yr1 s VAL 207 N 1.38 2.69 0.11 3.70 1.01 0.33 -4.98 120.40 124.64 1yr1 s VAL 207 Ca 0.05 -2.19 0.10 0.00 0.00 0.00 0.00 61.98 59.94 1yr1 s VAL 207 Cb -0.14 -2.39 -0.04 0.00 0.00 0.00 0.00 36.38 33.81 1yr1 s VAL 207 CO -0.03 -0.32 -0.25 -0.94 0.00 0.00 0.00 175.10 173.56 1yr1 s SER 208 N -3.33 3.00 0.30 3.32 1.04 -1.26 0.15 113.70 116.92 1yr1 s SER 208 Ca 0.28 -0.71 -0.13 0.00 0.48 0.00 0.00 55.95 55.87 1yr1 s SER 208 Cb -0.06 -0.20 0.05 0.00 0.10 0.00 0.00 66.02 65.91 1yr1 s SER 208 CO 0.15 0.14 0.69 0.00 0.98 0.00 0.00 173.24 175.20 1yr1 n ALA 209 N 1.06 -1.59 -2.61 5.32 0.00 0.12 -4.91 120.51 117.89 1yr1 n ALA 209 Ca -0.18 -1.01 -0.21 0.00 0.00 0.00 0.00 53.44 52.03 1yr1 n ALA 209 Cb 0.53 0.77 -0.12 0.00 0.00 0.00 0.00 19.45 20.63 1yr1 n ALA 209 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1yr1 s THR 210 N -2.24 1.44 0.42 0.00 -4.23 -1.26 0.39 115.64 110.15 1yr1 s THR 210 Ca 0.14 -1.42 0.30 0.00 -1.18 0.00 0.00 61.69 59.53 1yr1 s THR 210 Cb -0.04 -1.33 0.32 0.00 1.34 0.00 0.00 72.50 72.80 1yr1 s THR 210 CO 0.09 -0.12 2.11 0.40 -0.54 0.00 0.00 174.62 176.55 1yr1 h ILE 211 N 4.19 0.45 0.01 2.99 2.04 -1.46 1.11 117.51 126.84 1yr1 h ILE 211 Ca -0.44 -0.45 -0.19 0.00 1.00 0.00 0.00 64.86 64.79 1yr1 h ILE 211 Cb 1.18 1.31 -0.02 0.00 -0.74 0.00 0.00 36.82 38.55 1yr1 h ILE 211 CO 0.40 0.09 -0.89 0.08 0.00 0.00 0.00 178.15 177.83 1yr1 h ARG 212 N 0.00 0.08 -0.31 2.37 0.11 -1.93 -3.35 114.38 111.34 1yr1 h ARG 212 Ca -0.00 -0.10 -0.25 0.00 0.10 0.00 0.00 59.98 59.73 1yr1 h ARG 212 Cb 0.30 0.03 -0.36 0.00 1.11 0.00 0.00 29.97 31.05 1yr1 h ARG 212 CO 0.01 0.91 -0.97 1.04 0.10 0.00 0.00 179.97 181.06 1yr1 n GLN 213 N -3.56 1.54 -0.02 0.08 6.02 -0.89 -4.90 117.38 115.65 1yr1 n GLN 213 Ca -0.02 -3.17 -0.09 0.00 -0.01 0.00 0.00 57.00 53.71 1yr1 n GLN 213 Cb 0.83 -1.27 -0.03 0.00 1.02 0.00 0.00 30.24 30.79 1yr1 n GLN 213 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.06 176.40 1yr1 h PHE 214 N 1.89 -0.20 -0.55 1.08 3.04 0.11 0.83 116.94 123.14 1yr1 h PHE 214 Ca -0.06 0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.91 1yr1 h PHE 214 Cb 1.47 0.12 -0.03 0.00 2.56 0.00 0.00 35.95 40.06 1yr1 h PHE 214 CO 0.50 -0.13 0.34 0.00 -2.02 0.00 0.00 178.31 177.00 1yr1 h ALA 215 N 1.06 0.70 -0.65 2.41 0.00 -1.84 -1.36 119.26 119.57 1yr1 h ALA 215 Ca 0.09 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 1yr1 h ALA 215 Cb 0.21 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1yr1 h ALA 215 CO -0.20 0.16 0.21 0.22 0.00 0.00 0.00 179.25 179.64 1yr1 h ASP 216 N 0.74 0.94 0.09 0.00 3.58 -1.80 0.83 116.42 120.80 1yr1 h ASP 216 Ca 0.20 -0.20 0.02 0.00 0.42 0.00 0.00 57.03 57.46 1yr1 h ASP 216 Cb -0.04 -0.25 -0.03 0.00 1.72 0.00 0.00 39.33 40.74 1yr1 h ASP 216 CO -0.04 0.89 -0.20 0.11 -2.88 0.00 0.00 179.24 177.12 1yr1 h LYS 217 N 0.94 -0.36 0.00 0.28 1.79 0.12 -1.81 116.57 117.53 1yr1 h LYS 217 Ca 0.21 0.02 -0.06 0.00 -2.18 0.00 0.00 60.65 58.65 1yr1 h LYS 217 Cb 0.28 0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 31.01 1yr1 h LYS 217 CO -0.01 -0.24 -0.27 -0.07 -1.08 0.00 0.00 179.45 177.79 1yr1 h LEU 218 N -0.38 0.00 -1.44 2.94 -0.00 -1.16 -3.14 115.31 112.15 1yr1 h LEU 218 Ca 0.03 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.89 1yr1 h LEU 218 Cb 0.40 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.04 1yr1 h LEU 218 CO -0.13 0.27 0.17 -1.28 -0.00 0.00 0.00 178.44 177.47 1yr1 h SER 219 N 0.00 0.49 0.33 -0.43 0.87 0.14 -0.45 113.55 114.50 1yr1 h SER 219 Ca -0.00 -0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.51 1yr1 h SER 219 Cb 1.04 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 62.87 1yr1 h SER 219 CO 0.03 0.44 0.00 1.41 -0.53 0.00 0.00 176.83 178.18 1yr1 n HIS 220 N -4.39 0.00 -3.14 2.24 8.25 -0.74 -4.50 115.22 112.93 1yr1 n HIS 220 Ca 0.03 0.00 -0.45 0.00 -0.26 0.00 0.00 57.72 57.04 1yr1 n HIS 220 Cb 0.13 -0.28 -0.05 0.00 1.12 0.00 0.00 29.99 30.92 1yr1 n HIS 220 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 1yr1 s TYR 221 N -2.56 3.04 0.39 4.41 6.14 -0.18 -4.91 117.35 123.69 1yr1 s TYR 221 Ca 0.17 -1.02 0.18 0.00 0.64 0.00 0.00 57.07 57.04 1yr1 s TYR 221 Cb 0.12 -3.98 1.01 0.00 0.42 0.00 0.00 41.96 39.52 1yr1 s TYR 221 CO 0.27 -1.25 1.94 -1.00 0.64 0.00 0.00 175.55 176.15 1yr1 h PRO 222 N 9.14 0.00 -0.39 4.97 0.13 -1.84 -0.65 132.00 143.35 1yr1 h PRO 222 Ca -0.29 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.74 1yr1 h PRO 222 Cb 1.09 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.21 1yr1 h PRO 222 CO 1.09 0.24 -0.14 0.00 -0.23 0.00 0.00 178.00 178.97 1yr1 h ALA 223 N 1.76 0.55 0.19 -0.56 0.00 -1.95 0.76 119.26 120.01 1yr1 h ALA 223 Ca -0.00 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 1yr1 h ALA 223 Cb 0.48 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1yr1 h ALA 223 CO 0.03 0.45 -0.09 0.82 0.00 0.00 0.00 179.25 180.46 1yr1 h ILE 224 N 0.60 0.78 -0.37 0.00 2.04 -1.83 -3.08 117.51 115.64 1yr1 h ILE 224 Ca 0.09 -1.04 0.11 0.00 1.00 0.00 0.00 64.86 65.03 1yr1 h ILE 224 Cb 0.68 1.29 -0.01 0.00 -0.74 0.00 0.00 36.82 38.03 1yr1 h ILE 224 CO 0.05 0.19 0.28 0.00 0.00 0.00 0.00 178.15 178.67 1yr1 h ALA 225 N -0.34 2.31 -0.67 1.87 0.00 -1.16 0.80 119.26 122.08 1yr1 h ALA 225 Ca -0.03 -0.01 0.19 0.00 0.00 0.00 0.00 54.91 55.06 1yr1 h ALA 225 Cb 0.51 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 1yr1 h ALA 225 CO 0.04 -0.47 0.56 0.00 0.00 0.00 0.00 179.25 179.38 1yr1 h ALA 226 N 1.79 2.52 -0.67 0.00 0.00 0.65 0.40 119.26 123.95 1yr1 h ALA 226 Ca 0.18 -0.02 0.19 0.00 0.00 0.00 0.00 54.91 55.26 1yr1 h ALA 226 Cb 0.73 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 1yr1 h ALA 226 CO -0.00 -0.90 0.57 0.00 0.00 0.00 0.00 179.25 178.92 1yr1 h ALA 227 N 1.51 2.51 0.04 0.00 0.00 -0.93 0.91 119.26 123.30 1yr1 h ALA 227 Ca 0.32 -0.02 -0.22 0.00 0.00 0.00 0.00 54.91 54.98 1yr1 h ALA 227 Cb 1.42 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.26 1yr1 h ALA 227 CO -0.00 -0.91 -1.00 -0.07 0.00 0.00 0.00 179.25 177.27 1yr1 h LEU 228 N 0.00 0.29 -3.16 0.00 3.38 -0.40 -3.20 115.31 112.22 1yr1 h LEU 228 Ca 0.32 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1yr1 h LEU 228 Cb 1.45 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 42.11 1yr1 h LEU 228 CO -0.00 1.12 0.00 0.47 0.09 0.00 0.00 178.44 180.12 1yr1 n ASP 229 N -3.59 5.00 -0.05 -0.43 9.92 0.30 -4.46 116.55 123.25 1yr1 n ASP 229 Ca -0.05 -2.78 -0.02 0.00 -0.53 0.00 0.00 54.79 51.42 1yr1 n ASP 229 Cb 0.89 -0.66 -0.01 0.00 -0.64 0.00 0.00 41.12 40.70 1yr1 n ASP 229 CO 0.00 0.00 0.00 -0.09 0.13 0.00 0.00 177.20 177.24 1yr1 h ARG 230 N 3.39 0.00 -3.03 -1.24 9.65 -0.99 -3.41 114.38 118.74 1yr1 h ARG 230 Ca 0.00 0.00 -0.80 0.00 -1.10 0.00 0.00 59.98 58.08 1yr1 h ARG 230 Cb 1.75 0.00 -0.29 0.00 -1.39 0.00 0.00 29.97 30.04 1yr1 h ARG 230 CO 0.41 0.00 0.65 -1.71 2.80 0.00 0.00 179.97 182.12 1yr1 n ASN 231 N -4.02 6.10 -3.64 -3.80 5.15 -1.26 -4.94 115.26 108.85 1yr1 n ASN 231 Ca -0.03 -3.33 -0.07 0.00 -0.60 0.00 0.00 54.58 50.54 1yr1 n ASN 231 Cb 0.11 -1.27 -0.07 0.00 -0.53 0.00 0.00 39.78 38.03 1yr1 n ASN 231 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1yr1 s VAL 232 N -2.45 0.00 0.00 3.44 0.11 -1.26 -5.10 120.40 115.14 1yr1 s VAL 232 Ca 0.31 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.36 1yr1 s VAL 232 Cb 0.02 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.87 1yr1 s VAL 232 CO 0.06 0.00 0.00 1.17 -3.33 0.00 0.00 175.10 173.00