#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jwo n SER 118 N 0.00 0.11 -0.46 -1.43 2.88 -1.26 0.40 113.62 113.87 1jwo n SER 118 Ca 0.00 1.59 0.02 0.00 -1.33 0.00 0.00 58.87 59.15 1jwo n SER 118 Cb 0.00 -0.68 0.07 0.00 -0.75 0.00 0.00 64.21 62.85 1jwo n SER 118 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1jwo n LEU 119 N -5.27 1.22 -4.68 2.46 -0.00 -1.26 -4.75 117.00 104.72 1jwo n LEU 119 Ca 0.29 -0.61 -0.37 0.00 -0.00 0.00 0.00 56.01 55.31 1jwo n LEU 119 Cb 0.98 -0.25 -0.08 0.00 -0.00 0.00 0.00 43.42 44.07 1jwo n LEU 119 CO -0.03 0.25 0.03 -0.04 -0.00 0.00 0.00 177.39 177.60 1jwo s MET 120 N -1.65 4.18 0.36 1.47 -1.94 1.34 -4.97 119.30 118.10 1jwo s MET 120 Ca 0.11 0.11 0.04 0.00 -1.71 0.00 0.00 55.69 54.23 1jwo s MET 120 Cb 0.07 -3.51 0.70 0.00 2.01 0.00 0.00 34.83 34.10 1jwo s MET 120 CO 0.06 0.05 2.01 -1.35 -0.01 0.00 0.00 175.02 175.77 1jwo h PRO 121 N 7.21 0.76 0.00 2.03 0.11 -1.85 0.47 132.00 140.73 1jwo h PRO 121 Ca -0.38 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1jwo h PRO 121 Cb 1.16 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.10 1jwo h PRO 121 CO 0.72 0.50 0.00 -2.67 -0.21 0.00 0.00 178.00 176.34 1jwo n TRP 122 N -4.45 0.77 -3.29 0.65 4.27 -1.26 -3.98 117.44 110.15 1jwo n TRP 122 Ca 0.07 0.34 -0.39 0.00 -3.89 0.00 0.00 57.50 53.63 1jwo n TRP 122 Cb 0.09 -1.05 -0.07 0.00 -1.36 0.00 0.00 31.31 28.92 1jwo n TRP 122 CO 0.00 0.00 0.00 0.12 -2.29 0.00 0.00 177.69 175.52 1jwo s PHE 123 N -3.40 3.38 -1.30 -2.67 5.36 0.17 -0.06 117.98 119.45 1jwo s PHE 123 Ca 0.02 0.73 0.15 0.00 -0.96 0.00 0.00 56.93 56.87 1jwo s PHE 123 Cb 0.08 -2.62 0.45 0.00 -0.34 0.00 0.00 43.02 40.58 1jwo s PHE 123 CO 0.31 -0.06 1.37 0.72 -1.46 0.00 0.00 175.22 176.10 1jwo n HIS 124 N 4.63 0.69 0.00 10.12 8.25 -0.09 -4.86 115.22 133.95 1jwo n HIS 124 Ca -0.06 -0.51 0.00 0.00 -0.26 0.00 0.00 57.72 56.89 1jwo n HIS 124 Cb 0.51 -0.03 0.00 0.00 1.12 0.00 0.00 29.99 31.59 1jwo n HIS 124 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1jwo n GLY 125 N 0.93 3.12 3.31 -1.41 0.00 -1.24 -4.21 105.19 105.69 1jwo n GLY 125 Ca 0.17 0.26 -0.46 0.00 0.00 0.00 0.00 46.02 45.99 1jwo n GLY 125 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jwo s LYS 126 N 0.00 3.49 0.00 1.61 1.02 -1.26 -0.32 119.74 124.27 1jwo s LYS 126 Ca 0.00 -2.40 0.03 0.00 0.02 0.00 0.00 55.97 53.62 1jwo s LYS 126 Cb 0.00 -4.37 -0.01 0.00 -0.52 0.00 0.00 37.83 32.93 1jwo s LYS 126 CO 0.00 -1.29 -0.10 0.96 -0.92 0.00 0.00 175.35 174.00 1jwo s ILE 127 N 0.27 0.80 0.93 2.17 -4.36 -1.26 -5.02 121.20 114.72 1jwo s ILE 127 Ca 0.17 -0.53 -0.13 0.00 -0.26 0.00 0.00 60.65 59.90 1jwo s ILE 127 Cb -0.12 -0.69 0.05 0.00 1.25 0.00 0.00 42.46 42.94 1jwo s ILE 127 CO -0.08 0.16 0.54 -1.54 0.24 0.00 0.00 174.94 174.26 1jwo n SER 128 N 2.64 -1.61 -0.04 4.36 3.41 -1.26 -4.79 113.62 116.32 1jwo n SER 128 Ca -0.15 0.37 0.08 0.00 -0.26 0.00 0.00 58.87 58.91 1jwo n SER 128 Cb 0.56 -1.25 0.46 0.00 -0.26 0.00 0.00 64.21 63.72 1jwo n SER 128 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1jwo h GLY 129 N -1.50 0.60 0.94 5.00 0.00 -2.00 -2.43 103.07 103.67 1jwo h GLY 129 Ca -0.44 -0.20 -0.03 0.00 0.00 0.00 0.00 47.33 46.66 1jwo h GLY 129 CO 0.36 0.16 -0.39 -1.61 0.00 0.00 0.00 176.54 175.06 1jwo h GLN 130 N 0.50 -1.01 -1.33 4.80 4.15 -2.00 2.03 115.11 122.24 1jwo h GLN 130 Ca 0.21 0.07 0.39 0.00 0.77 0.00 0.00 58.65 60.09 1jwo h GLN 130 Cb 0.22 0.23 -0.07 0.00 0.21 0.00 0.00 27.48 28.07 1jwo h GLN 130 CO -0.06 -0.67 0.93 0.93 -1.93 0.00 0.00 178.83 178.04 1jwo h GLU 131 N -1.04 0.07 0.16 1.69 3.07 -1.77 -3.22 114.58 113.53 1jwo h GLU 131 Ca -0.10 -0.00 -0.31 0.00 -0.50 0.00 0.00 59.36 58.45 1jwo h GLU 131 Cb 0.82 -0.01 0.01 0.00 -0.84 0.00 0.00 28.75 28.72 1jwo h GLU 131 CO 0.14 0.04 -1.49 0.00 -1.40 0.00 0.00 179.01 176.30 1jwo h ALA 132 N 1.39 0.12 -0.91 3.43 0.00 0.30 -1.65 119.26 121.93 1jwo h ALA 132 Ca 0.67 -1.01 0.11 0.00 0.00 0.00 0.00 54.91 54.68 1jwo h ALA 132 Cb 2.47 0.22 -0.07 0.00 0.00 0.00 0.00 17.79 20.41 1jwo h ALA 132 CO -0.10 0.99 0.59 0.28 0.00 0.00 0.00 179.25 181.01 1jwo h VAL 133 N 0.09 0.94 -0.05 0.00 2.07 -0.44 -2.14 116.25 116.73 1jwo h VAL 133 Ca -0.24 -0.30 -0.01 0.00 0.82 0.00 0.00 66.70 66.98 1jwo h VAL 133 Cb 2.05 -0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 31.81 1jwo h VAL 133 CO 0.20 0.16 0.01 1.56 0.02 0.00 0.00 177.57 179.52 1jwo h GLN 134 N 0.88 0.09 -0.95 1.57 4.20 -1.46 -2.74 115.11 116.69 1jwo h GLN 134 Ca 0.43 -0.02 0.15 0.00 0.06 0.00 0.00 58.65 59.27 1jwo h GLN 134 Cb 0.46 -0.01 -0.08 0.00 0.30 0.00 0.00 27.48 28.15 1jwo h GLN 134 CO -0.19 0.32 0.60 1.96 -0.67 0.00 0.00 178.83 180.85 1jwo h GLN 135 N -0.16 0.74 -0.96 1.46 1.08 -1.11 -1.01 115.11 115.14 1jwo h GLN 135 Ca 0.02 -0.04 -0.11 0.00 -1.45 0.00 0.00 58.65 57.06 1jwo h GLN 135 Cb 0.27 -0.17 -0.06 0.00 -0.05 0.00 0.00 27.48 27.47 1jwo h GLN 135 CO 0.00 0.49 0.14 1.28 -0.95 0.00 0.00 178.83 179.79 1jwo n LEU 136 N -4.61 3.60 0.00 1.46 4.77 -0.82 -4.67 117.00 116.73 1jwo n LEU 136 Ca 0.19 -1.85 -0.04 0.00 -0.03 0.00 0.00 56.01 54.28 1jwo n LEU 136 Cb 0.49 -0.59 -0.11 0.00 -2.33 0.00 0.00 43.42 40.88 1jwo n LEU 136 CO 0.27 0.57 -0.44 1.67 -1.33 0.00 0.00 177.39 178.13 1jwo n GLN 137 N 0.07 0.63 -2.16 3.23 -0.06 -0.39 -3.84 117.38 114.85 1jwo n GLN 137 Ca 0.15 0.23 -0.30 0.00 -2.00 0.00 0.00 57.00 55.08 1jwo n GLN 137 Cb 0.75 -1.78 -0.05 0.00 -4.06 0.00 0.00 30.24 25.11 1jwo n GLN 137 CO 0.00 0.00 0.00 -2.14 -0.20 0.00 0.00 177.06 174.72 1jwo s PRO 138 N -2.78 2.79 0.39 3.69 0.02 -1.26 -4.97 135.00 132.88 1jwo s PRO 138 Ca -0.04 -0.67 -0.11 0.00 0.02 0.00 0.00 61.00 60.20 1jwo s PRO 138 Cb 0.08 -5.17 -0.09 0.00 0.02 0.00 0.00 34.50 29.34 1jwo s PRO 138 CO 0.82 -3.24 -0.19 -2.30 -0.33 0.00 0.00 177.00 171.76 1jwo n PRO 139 N 8.74 0.00 0.00 5.54 -0.01 -1.25 -4.98 135.00 143.03 1jwo n PRO 139 Ca 0.40 0.00 0.00 0.00 -0.01 0.00 0.00 63.50 63.89 1jwo n PRO 139 Cb 0.47 -0.61 0.00 0.00 -0.01 0.00 0.00 33.50 33.35 1jwo n PRO 139 CO 0.00 0.00 0.00 -1.91 -0.01 0.00 0.00 175.50 173.58 1jwo n GLU 140 N 1.10 0.00 -1.69 -0.52 2.13 -1.26 -5.06 120.64 115.33 1jwo n GLU 140 Ca 0.03 0.00 -0.63 0.00 0.66 0.00 0.00 57.16 57.22 1jwo n GLU 140 Cb 0.30 0.00 -0.09 0.00 0.27 0.00 0.00 31.44 31.92 1jwo n GLU 140 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1jwo n ASP 141 N 0.00 1.63 0.00 4.31 9.92 -1.26 -1.09 116.55 130.06 1jwo n ASP 141 Ca 0.00 1.09 0.00 0.00 -0.53 0.00 0.00 54.79 55.35 1jwo n ASP 141 Cb 0.00 -0.99 0.00 0.00 -0.64 0.00 0.00 41.12 39.49 1jwo n ASP 141 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1jwo n GLY 142 N 4.40 0.86 3.63 0.44 0.00 -1.03 -4.72 105.19 108.77 1jwo n GLY 142 Ca 0.31 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.91 1jwo n GLY 142 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1jwo s LEU 143 N 0.00 3.93 0.29 0.99 0.20 -0.25 -1.22 118.68 122.62 1jwo s LEU 143 Ca 0.00 2.26 0.03 0.00 0.69 0.00 0.00 54.13 57.11 1jwo s LEU 143 Cb 0.00 -3.52 -0.04 0.00 -0.43 0.00 0.00 46.19 42.20 1jwo s LEU 143 CO 0.00 -1.52 0.15 0.72 -0.29 0.00 0.00 176.35 175.41 1jwo s PHE 144 N 6.44 1.58 0.20 5.38 -0.71 -0.92 -1.51 117.98 128.43 1jwo s PHE 144 Ca 0.94 -1.35 -0.23 0.00 -1.04 0.00 0.00 56.93 55.26 1jwo s PHE 144 Cb -0.38 -0.85 0.05 0.00 -1.21 0.00 0.00 43.02 40.63 1jwo s PHE 144 CO 0.38 -0.50 0.80 -0.48 -1.34 0.00 0.00 175.22 174.08 1jwo s LEU 145 N -3.36 -0.28 -0.03 -1.99 0.05 -1.13 -0.60 118.68 111.34 1jwo s LEU 145 Ca 0.36 -0.41 0.04 0.00 0.05 0.00 0.00 54.13 54.17 1jwo s LEU 145 Cb 0.05 2.46 -0.01 0.00 -2.05 0.00 0.00 46.19 46.65 1jwo s LEU 145 CO 0.17 -1.09 -0.16 -0.69 -0.55 0.00 0.00 176.35 174.03 1jwo s VAL 146 N -3.61 1.31 0.09 1.48 1.01 0.91 -0.74 120.40 120.84 1jwo s VAL 146 Ca 0.10 -0.68 0.03 0.00 0.00 0.00 0.00 61.98 61.43 1jwo s VAL 146 Cb -0.03 -1.11 -0.04 0.00 0.00 0.00 0.00 36.38 35.20 1jwo s VAL 146 CO 0.01 0.38 -0.09 0.00 0.00 0.00 0.00 175.10 175.41 1jwo s ARG 147 N -0.13 0.78 0.38 2.72 1.70 0.96 -0.91 118.95 124.44 1jwo s ARG 147 Ca 0.01 -1.12 -0.26 0.00 -0.47 0.00 0.00 55.73 53.89 1jwo s ARG 147 Cb -0.09 -0.39 -0.09 0.00 -0.57 0.00 0.00 34.95 33.81 1jwo s ARG 147 CO 0.01 0.05 1.17 -1.21 -1.08 0.00 0.00 175.30 174.24 1jwo s GLU 148 N -2.82 4.13 0.47 3.89 2.02 0.56 -0.26 118.70 126.69 1jwo s GLU 148 Ca 0.04 1.86 -0.14 0.00 0.02 0.00 0.00 54.97 56.74 1jwo s GLU 148 Cb -0.02 -2.75 -0.07 0.00 0.10 0.00 0.00 34.13 31.39 1jwo s GLU 148 CO -0.01 -0.26 0.90 0.45 0.02 0.00 0.00 175.26 176.36 1jwo s SER 149 N -1.07 6.59 -0.12 -0.19 0.15 0.73 -4.69 113.70 115.10 1jwo s SER 149 Ca 0.55 1.41 -0.11 0.00 0.70 0.00 0.00 55.95 58.50 1jwo s SER 149 Cb -0.31 -2.44 -0.04 0.00 -1.71 0.00 0.00 66.02 61.52 1jwo s SER 149 CO 0.40 -0.51 -0.22 0.00 1.20 0.00 0.00 173.24 174.11 1jwo n ALA 150 N -1.44 0.56 -0.28 5.45 0.00 -1.26 -4.22 120.51 119.32 1jwo n ALA 150 Ca 0.05 -0.60 -0.01 0.00 0.00 0.00 0.00 53.44 52.89 1jwo n ALA 150 Cb 0.54 0.02 0.12 0.00 0.00 0.00 0.00 19.45 20.13 1jwo n ALA 150 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jwo h ARG 151 N -0.66 0.86 -4.57 0.00 3.08 -2.01 -3.34 114.38 107.74 1jwo h ARG 151 Ca 0.00 -0.05 -0.65 0.00 0.07 0.00 0.00 59.98 59.35 1jwo h ARG 151 Cb 0.63 -0.19 -0.40 0.00 0.08 0.00 0.00 29.97 30.09 1jwo h ARG 151 CO 0.00 0.57 -0.73 -1.01 -1.07 0.00 0.00 179.97 177.72 1jwo s HIS 152 N -6.08 3.44 0.61 3.04 3.76 -1.26 -5.10 115.29 113.70 1jwo s HIS 152 Ca -0.13 -2.75 -0.19 0.00 -0.15 0.00 0.00 55.06 51.84 1jwo s HIS 152 Cb 0.17 -2.64 -0.02 0.00 1.11 0.00 0.00 32.58 31.20 1jwo s HIS 152 CO 0.78 -0.93 1.31 -2.14 -0.85 0.00 0.00 174.74 172.91 1jwo s PRO 153 N 1.02 2.76 0.00 8.40 0.02 -1.26 -2.82 135.00 143.13 1jwo s PRO 153 Ca 0.08 2.10 0.00 0.00 0.02 0.00 0.00 61.00 63.20 1jwo s PRO 153 Cb -0.19 -1.97 0.00 0.00 0.02 0.00 0.00 34.50 32.36 1jwo s PRO 153 CO -0.10 -1.45 0.00 0.41 -0.33 0.00 0.00 177.00 175.54 1jwo n GLY 154 N 0.82 2.14 3.91 0.52 0.00 -1.26 -5.02 105.19 106.29 1jwo n GLY 154 Ca 0.14 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.95 1jwo n GLY 154 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1jwo s ASP 155 N -3.52 5.98 0.19 1.61 1.11 -1.13 -4.99 116.67 115.93 1jwo s ASP 155 Ca 0.00 -0.06 0.09 0.00 0.18 0.00 0.00 52.55 52.75 1jwo s ASP 155 Cb 0.00 -1.67 -0.04 0.00 1.07 0.00 0.00 42.92 42.28 1jwo s ASP 155 CO 0.00 -0.05 -0.06 -0.31 1.18 0.00 0.00 175.17 175.92 1jwo s TYR 156 N -2.04 2.68 -0.10 4.23 1.51 -1.24 -0.19 117.35 122.21 1jwo s TYR 156 Ca 0.33 -0.20 -0.00 0.00 -1.01 0.00 0.00 57.07 56.19 1jwo s TYR 156 Cb -0.09 -1.29 0.02 0.00 -0.11 0.00 0.00 41.96 40.50 1jwo s TYR 156 CO 0.27 0.53 -0.06 0.08 -1.11 0.00 0.00 175.55 175.26 1jwo s VAL 157 N -1.81 0.88 -0.23 0.71 1.01 0.64 0.23 120.40 121.83 1jwo s VAL 157 Ca 0.26 -0.21 -0.18 0.00 0.00 0.00 0.00 61.98 61.86 1jwo s VAL 157 Cb -0.08 -0.92 -0.03 0.00 0.00 0.00 0.00 36.38 35.34 1jwo s VAL 157 CO 0.17 0.34 0.51 -0.22 0.00 0.00 0.00 175.10 175.90 1jwo s LEU 158 N 1.70 4.10 -0.23 3.92 2.96 -1.04 -0.03 118.68 130.05 1jwo s LEU 158 Ca 0.04 0.59 -0.08 0.00 -0.22 0.00 0.00 54.13 54.46 1jwo s LEU 158 Cb -0.13 -2.67 -0.04 0.00 0.50 0.00 0.00 46.19 43.85 1jwo s LEU 158 CO -0.07 -0.22 0.09 0.00 -1.32 0.00 0.00 176.35 174.83 1jwo s VAL 160 N 1.18 2.90 0.00 0.00 1.01 0.00 -2.82 120.40 122.67 1jwo s VAL 160 Ca 0.05 -0.73 -0.22 0.00 0.00 0.00 0.00 61.98 61.07 1jwo s VAL 160 Cb -0.14 -2.18 -0.05 0.00 0.00 0.00 0.00 36.38 34.00 1jwo s VAL 160 CO 0.04 0.54 0.66 -0.55 0.00 0.00 0.00 175.10 175.80 1jwo s SER 161 N 0.09 7.05 -0.30 3.32 0.15 -0.57 -0.26 113.70 123.19 1jwo s SER 161 Ca -0.07 1.25 -0.14 0.00 0.70 0.00 0.00 55.95 57.70 1jwo s SER 161 Cb -0.15 -2.40 0.14 0.00 -1.71 0.00 0.00 66.02 61.90 1jwo s SER 161 CO 0.05 0.05 0.85 0.12 1.20 0.00 0.00 173.24 175.50 1jwo s PHE 162 N -0.02 -0.91 -1.49 3.44 5.99 -0.50 -2.46 117.98 122.04 1jwo s PHE 162 Ca 0.34 1.63 -0.01 0.00 0.00 0.00 0.00 56.93 58.90 1jwo s PHE 162 Cb -0.19 0.54 0.00 0.00 0.00 0.00 0.00 43.02 43.38 1jwo s PHE 162 CO 0.19 -0.45 0.10 0.41 -0.00 0.00 0.00 175.22 175.47 1jwo n GLY 163 N 4.81 -0.36 3.25 13.12 0.00 -1.26 -2.78 105.19 121.96 1jwo n GLY 163 Ca -0.13 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.78 1jwo n GLY 163 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jwo n ARG 164 N -2.87 0.00 -2.50 1.61 1.74 -1.26 -5.00 116.66 108.39 1jwo n ARG 164 Ca -0.19 0.00 -0.26 0.00 -0.77 0.00 0.00 57.85 56.63 1jwo n ARG 164 Cb 0.65 -0.88 0.03 0.00 -1.02 0.00 0.00 32.46 31.23 1jwo n ARG 164 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1jwo s ASP 165 N -1.31 5.63 -0.13 0.55 1.01 -1.12 -4.97 116.67 116.33 1jwo s ASP 165 Ca 0.00 0.63 0.02 0.00 0.71 0.00 0.00 52.55 53.91 1jwo s ASP 165 Cb 0.00 -1.67 0.01 0.00 1.01 0.00 0.00 42.92 42.28 1jwo s ASP 165 CO 0.00 -1.00 -0.19 -0.69 0.21 0.00 0.00 175.17 173.50 1jwo s VAL 166 N -2.91 1.85 0.29 -1.27 1.01 -1.26 -1.41 120.40 116.70 1jwo s VAL 166 Ca 0.53 -0.85 0.09 0.00 0.00 0.00 0.00 61.98 61.74 1jwo s VAL 166 Cb -0.10 -1.66 -0.04 0.00 0.00 0.00 0.00 36.38 34.58 1jwo s VAL 166 CO 0.44 0.51 0.07 -0.63 0.00 0.00 0.00 175.10 175.49 1jwo s ILE 167 N 0.90 3.43 0.04 2.22 1.09 0.65 -4.94 121.20 124.59 1jwo s ILE 167 Ca -0.06 -1.78 -0.04 0.00 -1.10 0.00 0.00 60.65 57.66 1jwo s ILE 167 Cb -0.15 -2.96 -0.02 0.00 -1.06 0.00 0.00 42.46 38.27 1jwo s ILE 167 CO -0.02 -0.31 0.07 -1.00 -0.10 0.00 0.00 174.94 173.58 1jwo s HIS 168 N -2.33 0.25 -0.15 3.97 3.76 -1.26 -0.82 115.29 118.71 1jwo s HIS 168 Ca 0.34 -0.60 -0.04 0.00 -0.15 0.00 0.00 55.06 54.61 1jwo s HIS 168 Cb -0.05 -0.18 0.07 0.00 1.11 0.00 0.00 32.58 33.53 1jwo s HIS 168 CO 0.21 -0.36 0.19 0.71 -0.85 0.00 0.00 174.74 174.64 1jwo s TYR 169 N -2.76 -0.20 0.33 1.40 2.02 -1.12 -5.01 117.35 112.02 1jwo s TYR 169 Ca -0.04 0.37 -0.29 0.00 -0.37 0.00 0.00 57.07 56.75 1jwo s TYR 169 Cb -0.00 -0.33 -0.12 0.00 -0.40 0.00 0.00 41.96 41.11 1jwo s TYR 169 CO -0.05 -0.44 1.49 -2.13 -1.57 0.00 0.00 175.55 172.84 1jwo n ARG 170 N 5.32 2.54 -3.42 -0.62 0.63 -1.26 -2.51 116.66 117.34 1jwo n ARG 170 Ca -0.05 0.90 -0.40 0.00 -0.92 0.00 0.00 57.85 57.38 1jwo n ARG 170 Cb 0.50 -2.61 -0.09 0.00 0.45 0.00 0.00 32.46 30.70 1jwo n ARG 170 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 1jwo s VAL 171 N -0.64 5.19 0.47 5.15 1.01 0.63 -4.60 120.40 127.60 1jwo s VAL 171 Ca 0.58 0.32 -0.03 0.00 0.00 0.00 0.00 61.98 62.85 1jwo s VAL 171 Cb -0.51 -3.72 -0.02 0.00 0.00 0.00 0.00 36.38 32.12 1jwo s VAL 171 CO 0.57 0.07 0.74 -0.76 0.00 0.00 0.00 175.10 175.72 1jwo s LEU 172 N 2.01 3.64 -0.16 3.92 1.43 0.11 -3.59 118.68 126.05 1jwo s LEU 172 Ca 0.13 0.69 -0.06 0.00 -1.03 0.00 0.00 54.13 53.86 1jwo s LEU 172 Cb -0.16 -3.59 -0.04 0.00 0.03 0.00 0.00 46.19 42.43 1jwo s LEU 172 CO 0.11 -0.62 0.03 -1.00 0.23 0.00 0.00 176.35 175.10 1jwo s HIS 173 N -2.67 3.19 -0.41 0.29 3.76 -1.26 -2.40 115.29 115.80 1jwo s HIS 173 Ca 0.47 0.01 0.05 0.00 -0.15 0.00 0.00 55.06 55.44 1jwo s HIS 173 Cb -0.10 -2.00 0.19 0.00 1.11 0.00 0.00 32.58 31.78 1jwo s HIS 173 CO 0.42 0.17 0.41 0.54 -0.85 0.00 0.00 174.74 175.43 1jwo n ARG 174 N 3.29 0.35 0.00 1.40 1.74 -1.26 -4.87 116.66 117.30 1jwo n ARG 174 Ca -0.17 -3.12 0.00 0.00 -0.77 0.00 0.00 57.85 53.79 1jwo n ARG 174 Cb 0.53 -1.53 0.00 0.00 -1.02 0.00 0.00 32.46 30.43 1jwo n ARG 174 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1jwo n ASP 175 N 2.44 0.00 0.00 0.55 10.43 -1.26 -4.79 116.55 123.92 1jwo n ASP 175 Ca 0.27 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.63 1jwo n ASP 175 Cb 0.50 0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.46 1jwo n ASP 175 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1jwo n GLY 176 N 0.00 5.47 3.32 0.44 0.00 -1.26 -5.06 105.19 108.10 1jwo n GLY 176 Ca 0.00 -0.81 -0.22 0.00 0.00 0.00 0.00 46.02 44.99 1jwo n GLY 176 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1jwo s HIS 177 N 2.13 1.79 0.00 1.61 3.76 -1.07 -4.01 115.29 119.51 1jwo s HIS 177 Ca 0.00 -0.47 0.00 0.00 -0.15 0.00 0.00 55.06 54.44 1jwo s HIS 177 Cb 0.00 -0.91 0.00 0.00 1.11 0.00 0.00 32.58 32.78 1jwo s HIS 177 CO 0.00 0.30 0.00 -0.11 -0.85 0.00 0.00 174.74 174.08 1jwo n LEU 178 N 0.40 0.00 -0.07 0.89 7.94 -1.01 0.08 117.00 125.23 1jwo n LEU 178 Ca -0.14 0.00 -0.10 0.00 -1.11 0.00 0.00 56.01 54.66 1jwo n LEU 178 Cb 0.57 0.00 -0.06 0.00 0.53 0.00 0.00 43.42 44.46 1jwo n LEU 178 CO 0.28 0.00 -0.93 0.41 -1.11 0.00 0.00 177.39 176.04 1jwo n THR 179 N -0.39 0.75 -2.67 1.96 -1.04 -1.26 -0.71 114.28 110.92 1jwo n THR 179 Ca 0.00 -0.28 -0.43 0.00 -2.04 0.00 0.00 64.05 61.30 1jwo n THR 179 Cb 0.00 -1.02 0.00 0.00 -1.82 0.00 0.00 70.33 67.49 1jwo n THR 179 CO 0.00 0.00 0.00 2.30 -0.64 0.00 0.00 175.07 176.73 1jwo n ILE 180 N -2.94 4.20 -0.53 12.58 -5.35 -1.26 -5.01 119.36 121.05 1jwo n ILE 180 Ca -0.24 -4.47 -0.16 0.00 -0.27 0.00 0.00 62.75 57.62 1jwo n ILE 180 Cb 0.74 -2.43 0.01 0.00 -1.74 0.00 0.00 39.64 36.23 1jwo n ILE 180 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 1jwo n ASP 181 N 5.54 -1.54 0.00 7.28 9.92 -1.26 0.63 116.55 137.12 1jwo n ASP 181 Ca 0.40 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.66 1jwo n ASP 181 Cb 0.41 -0.28 0.00 0.00 -0.64 0.00 0.00 41.12 40.61 1jwo n ASP 181 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1jwo n GLU 182 N 1.34 0.00 0.00 -1.24 -0.58 -1.26 -4.66 120.64 114.24 1jwo n GLU 182 Ca -0.01 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.73 1jwo n GLU 182 Cb 0.31 -1.17 0.00 0.00 -0.57 0.00 0.00 31.44 30.00 1jwo n GLU 182 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1jwo n ALA 183 N 0.00 0.00 -2.98 0.62 0.00 2.78 -4.95 120.51 115.98 1jwo n ALA 183 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.09 1jwo n ALA 183 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.33 1jwo n ALA 183 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1jwo s VAL 184 N -0.02 4.19 0.14 0.00 1.01 -1.19 -5.09 120.40 119.44 1jwo s VAL 184 Ca 0.00 -0.24 0.09 0.00 0.00 0.00 0.00 61.98 61.84 1jwo s VAL 184 Cb 0.00 -2.89 -0.04 0.00 0.00 0.00 0.00 36.38 33.45 1jwo s VAL 184 CO 0.00 0.44 -0.22 -0.36 0.00 0.00 0.00 175.10 174.96 1jwo s PHE 185 N 0.77 1.95 0.26 5.22 0.40 -1.26 -4.48 117.98 120.84 1jwo s PHE 185 Ca 0.01 -0.42 0.12 0.00 -0.60 0.00 0.00 56.93 56.04 1jwo s PHE 185 Cb -0.14 -1.03 -0.05 0.00 0.51 0.00 0.00 43.02 42.32 1jwo s PHE 185 CO 0.02 0.30 -0.21 -0.06 0.70 0.00 0.00 175.22 175.98 1jwo s PHE 186 N -1.45 2.27 -0.09 0.36 0.40 0.11 -4.87 117.98 114.70 1jwo s PHE 186 Ca 0.12 -0.34 -0.14 0.00 -0.60 0.00 0.00 56.93 55.96 1jwo s PHE 186 Cb -0.09 -1.01 -0.12 0.00 0.51 0.00 0.00 43.02 42.32 1jwo s PHE 186 CO 0.06 0.66 0.49 0.00 0.70 0.00 0.00 175.22 177.13 1jwo s ASN 188 N -5.65 3.65 0.25 0.00 6.03 -1.26 -4.84 114.94 113.12 1jwo s ASN 188 Ca -0.09 -0.70 -0.05 0.00 -1.03 0.00 0.00 52.86 50.99 1jwo s ASN 188 Cb -0.01 -0.39 0.33 0.00 -3.03 0.00 0.00 41.25 38.15 1jwo s ASN 188 CO 0.33 0.15 1.89 -0.07 -2.03 0.00 0.00 177.10 177.37 1jwo h LEU 189 N 3.51 1.04 -6.01 3.54 3.38 -1.99 -2.28 115.31 116.50 1jwo h LEU 189 Ca -0.49 -0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.22 1jwo h LEU 189 Cb 1.18 -0.23 0.03 0.00 0.09 0.00 0.00 40.66 41.74 1jwo h LEU 189 CO 0.46 0.70 1.68 0.23 0.09 0.00 0.00 178.44 181.59 1jwo n MET 190 N -4.49 0.79 0.00 1.13 2.81 -1.26 -0.03 117.12 116.08 1jwo n MET 190 Ca 0.13 -1.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.03 1jwo n MET 190 Cb 0.11 -2.30 0.00 0.00 -0.71 0.00 0.00 33.22 30.33 1jwo n MET 190 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 1jwo n ASP 191 N 5.54 0.00 -0.05 7.83 4.64 -1.21 -4.73 116.55 128.57 1jwo n ASP 191 Ca 0.25 0.00 -0.11 0.00 -1.38 0.00 0.00 54.79 53.55 1jwo n ASP 191 Cb 0.14 0.00 -0.05 0.00 -1.04 0.00 0.00 41.12 40.17 1jwo n ASP 191 CO 0.00 0.00 0.00 -0.03 -0.82 0.00 0.00 177.20 176.35 1jwo h MET 192 N 0.00 0.27 0.00 -0.67 4.05 0.17 -1.26 114.93 117.49 1jwo h MET 192 Ca 0.00 -0.05 0.00 0.00 -0.28 0.00 0.00 59.70 59.37 1jwo h MET 192 Cb 0.00 -0.04 0.00 0.00 -0.80 0.00 0.00 31.60 30.76 1jwo h MET 192 CO 0.00 0.35 0.00 0.28 0.23 0.00 0.00 176.91 177.77 1jwo n VAL 193 N -4.85 0.00 -0.26 -5.77 0.31 0.25 -0.77 118.33 107.25 1jwo n VAL 193 Ca -0.04 1.48 -0.04 0.00 -0.01 0.00 0.00 64.34 65.73 1jwo n VAL 193 Cb 0.12 -2.16 -0.02 0.00 -0.91 0.00 0.00 33.84 30.87 1jwo n VAL 193 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 1jwo n GLU 194 N -2.55 -0.21 -0.13 5.55 4.07 -1.23 -1.88 120.64 124.26 1jwo n GLU 194 Ca 0.00 0.98 -0.07 0.00 -0.06 0.00 0.00 57.16 58.02 1jwo n GLU 194 Cb 0.00 -1.45 -0.05 0.00 -0.06 0.00 0.00 31.44 29.88 1jwo n GLU 194 CO 0.00 0.00 0.00 1.25 -0.06 0.00 0.00 177.13 178.32 1jwo h HIS 195 N 0.00 -0.93 0.00 4.31 2.76 -0.23 0.21 115.15 121.27 1jwo h HIS 195 Ca 0.17 0.05 0.00 0.00 -2.20 0.00 0.00 60.37 58.39 1jwo h HIS 195 Cb 0.33 0.45 0.00 0.00 1.55 0.00 0.00 27.41 29.74 1jwo h HIS 195 CO -0.61 -0.23 0.00 0.66 -1.30 0.00 0.00 177.93 176.45 1jwo n TYR 196 N -4.12 0.00 0.11 5.26 4.01 0.05 -0.00 117.16 122.47 1jwo n TYR 196 Ca -0.01 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 57.81 1jwo n TYR 196 Cb 0.16 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.20 1jwo n TYR 196 CO 0.00 0.00 0.00 0.77 -0.46 0.00 0.00 176.86 177.17 1jwo h SER 197 N 0.00 0.00 0.00 7.72 0.02 0.15 -2.23 113.55 119.20 1jwo h SER 197 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1jwo h SER 197 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1jwo h SER 197 CO 0.00 0.18 -0.98 0.29 -1.14 0.00 0.00 176.83 175.19 1jwo n LYS 198 N -2.86 1.72 -3.68 3.45 5.02 1.00 -4.70 118.16 118.11 1jwo n LYS 198 Ca -0.01 -0.04 -0.12 0.00 -2.02 0.00 0.00 58.31 56.12 1jwo n LYS 198 Cb 0.63 -1.23 -0.12 0.00 -0.02 0.00 0.00 35.03 34.29 1jwo n LYS 198 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1jwo s ASP 199 N -2.76 0.02 -0.17 4.39 3.68 -1.19 -5.07 116.67 115.57 1jwo s ASP 199 Ca 0.02 0.68 -0.18 0.00 2.13 0.00 0.00 52.55 55.20 1jwo s ASP 199 Cb 0.10 0.75 -0.15 0.00 -1.45 0.00 0.00 42.92 42.18 1jwo s ASP 199 CO 0.60 -0.22 0.21 0.07 0.13 0.00 0.00 175.17 175.96 1jwo h LYS 200 N 7.90 0.00 0.00 4.34 2.10 -1.85 -3.40 116.57 125.66 1jwo h LYS 200 Ca -0.23 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.42 1jwo h LYS 200 Cb 1.13 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.46 1jwo h LYS 200 CO 0.20 0.65 0.00 0.41 -2.00 0.00 0.00 179.45 178.71 1jwo n GLY 201 N 1.55 0.00 0.00 0.07 0.00 -1.26 -3.10 105.19 102.45 1jwo n GLY 201 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1jwo n GLY 201 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jwo n ALA 202 N 0.00 0.00 -2.59 4.61 0.00 -1.26 -5.04 120.51 116.23 1jwo n ALA 202 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.16 1jwo n ALA 202 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 1jwo n ALA 202 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1jwo s ILE 203 N 0.00 1.96 0.54 0.00 1.01 -1.18 -5.01 121.20 118.52 1jwo s ILE 203 Ca 0.00 -1.92 0.28 0.00 0.00 0.00 0.00 60.65 59.00 1jwo s ILE 203 Cb 0.00 -2.89 0.33 0.00 0.01 0.00 0.00 42.46 39.91 1jwo s ILE 203 CO 0.00 0.00 2.19 0.00 0.00 0.00 0.00 174.94 177.13 1jwo s THR 205 N -4.55 0.00 -0.10 0.00 2.01 -1.26 -4.97 115.64 106.77 1jwo s THR 205 Ca -0.04 -0.03 -0.23 0.00 0.31 0.00 0.00 61.69 61.69 1jwo s THR 205 Cb 0.15 -1.01 -0.03 0.00 0.01 0.00 0.00 72.50 71.62 1jwo s THR 205 CO 0.57 -0.02 0.71 -1.59 -0.69 0.00 0.00 174.62 173.60 1jwo s LYS 206 N -3.60 4.39 0.31 4.92 -2.85 -1.26 -4.74 119.74 116.91 1jwo s LYS 206 Ca 0.00 0.86 -0.29 0.00 -1.00 0.00 0.00 55.97 55.54 1jwo s LYS 206 Cb -0.01 -3.48 -0.11 0.00 -2.06 0.00 0.00 37.83 32.18 1jwo s LYS 206 CO -0.12 -0.03 1.47 -0.51 0.10 0.00 0.00 175.35 176.27 1jwo s LEU 207 N 1.12 4.37 0.00 2.77 1.43 -0.84 -4.38 118.68 123.15 1jwo s LEU 207 Ca 0.36 2.84 0.00 0.00 -1.03 0.00 0.00 54.13 56.30 1jwo s LEU 207 Cb -0.17 -3.64 0.00 0.00 0.03 0.00 0.00 46.19 42.41 1jwo s LEU 207 CO 0.16 -0.77 0.00 0.52 0.23 0.00 0.00 176.35 176.49 1jwo n VAL 208 N 1.54 0.00 -3.04 -1.59 0.31 -0.36 -4.52 118.33 110.67 1jwo n VAL 208 Ca 0.04 0.00 -0.40 0.00 -0.01 0.00 0.00 64.34 63.97 1jwo n VAL 208 Cb 0.40 -0.17 -0.05 0.00 -0.91 0.00 0.00 33.84 33.10 1jwo n VAL 208 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 1jwo s ARG 209 N 0.00 4.29 0.07 5.55 3.52 -1.23 -4.98 118.95 126.17 1jwo s ARG 209 Ca 0.00 0.79 -0.30 0.00 -0.13 0.00 0.00 55.73 56.09 1jwo s ARG 209 Cb 0.00 -3.55 -0.05 0.00 -1.56 0.00 0.00 34.95 29.79 1jwo s ARG 209 CO 0.00 -0.20 1.02 -1.25 -0.81 0.00 0.00 175.30 174.07 1jwo s PRO 210 N 1.73 4.59 0.27 5.12 0.04 -1.26 -2.15 135.00 143.33 1jwo s PRO 210 Ca 0.33 1.53 -0.29 0.00 0.04 0.00 0.00 61.00 62.61 1jwo s PRO 210 Cb -0.16 -3.39 -0.09 0.00 0.04 0.00 0.00 34.50 30.89 1jwo s PRO 210 CO 0.13 0.02 0.95 0.21 0.04 0.00 0.00 177.00 178.35 1jwo s LYS 211 N 0.49 4.76 -0.10 4.56 2.47 0.23 -4.86 119.74 127.29 1jwo s LYS 211 Ca 0.51 1.47 -0.08 0.00 -1.56 0.00 0.00 55.97 56.31 1jwo s LYS 211 Cb -0.24 -3.13 0.03 0.00 -1.46 0.00 0.00 37.83 33.02 1jwo s LYS 211 CO 0.30 0.42 0.25 -0.98 0.16 0.00 0.00 175.35 175.50 1jwo s ARG 212 N -1.46 0.28 0.00 4.03 1.70 -1.26 -4.20 118.95 118.04 1jwo s ARG 212 Ca 0.44 0.38 0.00 0.00 -0.47 0.00 0.00 55.73 56.08 1jwo s ARG 212 Cb -0.24 0.11 0.00 0.00 -0.57 0.00 0.00 34.95 34.24 1jwo s ARG 212 CO 0.30 -0.05 0.00 1.63 -1.08 0.00 0.00 175.30 176.10