#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hj5 n GLY 126 N 0.00 0.34 0.00 -3.96 0.00 -1.26 -4.57 105.19 95.74 3hj5 n GLY 126 Ca 0.00 -1.80 0.10 0.00 0.00 0.00 0.00 46.02 44.32 3hj5 n GLY 126 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hj5 n GLY 127 N 0.00 -0.92 3.63 -0.02 0.00 -1.26 -4.83 105.19 101.80 3hj5 n GLY 127 Ca 0.00 -0.13 -0.43 0.00 0.00 0.00 0.00 46.02 45.46 3hj5 n GLY 127 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hj5 s TYR 128 N -2.00 2.47 0.42 1.61 1.51 -1.26 -4.54 117.35 115.56 3hj5 s TYR 128 Ca 0.31 0.74 -0.05 0.00 -1.01 0.00 0.00 57.07 57.06 3hj5 s TYR 128 Cb 0.14 -3.89 -0.04 0.00 -0.11 0.00 0.00 41.96 38.05 3hj5 s TYR 128 CO 0.24 -2.22 0.71 0.08 -1.11 0.00 0.00 175.55 173.25 3hj5 s VAL 129 N 4.57 4.94 -0.41 0.71 1.01 -0.12 -4.82 120.40 126.27 3hj5 s VAL 129 Ca 0.62 0.14 -0.18 0.00 0.00 0.00 0.00 61.98 62.56 3hj5 s VAL 129 Cb -0.21 -3.83 0.02 0.00 0.00 0.00 0.00 36.38 32.36 3hj5 s VAL 129 CO 0.25 -0.68 0.50 -0.22 0.00 0.00 0.00 175.10 174.94 3hj5 s LEU 130 N -4.38 4.65 0.48 3.92 2.96 -1.26 -1.04 118.68 124.02 3hj5 s LEU 130 Ca 0.46 -0.45 -0.23 0.00 -0.22 0.00 0.00 54.13 53.70 3hj5 s LEU 130 Cb -0.10 -2.51 -0.08 0.00 0.50 0.00 0.00 46.19 44.00 3hj5 s LEU 130 CO 0.39 -0.60 1.06 0.61 -1.32 0.00 0.00 176.35 176.49 3hj5 n GLY 131 N 5.03 -0.05 3.78 7.98 0.00 1.15 -4.91 105.19 118.17 3hj5 n GLY 131 Ca -0.05 0.06 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 3hj5 n GLY 131 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hj5 s SER 132 N -0.85 5.63 0.05 1.61 1.04 -1.26 -3.85 113.70 116.06 3hj5 s SER 132 Ca 0.67 2.08 -0.34 0.00 0.48 0.00 0.00 55.95 58.84 3hj5 s SER 132 Cb -0.50 -2.57 -0.13 0.00 0.10 0.00 0.00 66.02 62.92 3hj5 s SER 132 CO 0.54 -1.28 1.70 0.00 0.98 0.00 0.00 173.24 175.18 3hj5 n ALA 133 N -1.60 1.09 -2.61 5.32 0.00 -1.26 -4.70 120.51 116.74 3hj5 n ALA 133 Ca 0.11 0.38 -0.28 0.00 0.00 0.00 0.00 53.44 53.65 3hj5 n ALA 133 Cb 0.51 -2.41 -0.11 0.00 0.00 0.00 0.00 19.45 17.45 3hj5 n ALA 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hj5 s MET 134 N 2.26 1.94 0.34 0.00 0.23 0.33 -4.99 119.30 119.41 3hj5 s MET 134 Ca 0.85 -2.09 -0.29 0.00 -1.03 0.00 0.00 55.69 53.14 3hj5 s MET 134 Cb -0.69 -1.64 -0.11 0.00 -1.53 0.00 0.00 34.83 30.86 3hj5 s MET 134 CO 0.44 -0.03 1.46 0.45 -2.03 0.00 0.00 175.02 175.31 3hj5 s SER 135 N -3.70 6.46 0.28 -1.18 0.15 -1.26 -4.77 113.70 109.68 3hj5 s SER 135 Ca 0.35 2.93 -0.29 0.00 0.70 0.00 0.00 55.95 59.64 3hj5 s SER 135 Cb 0.09 -2.65 -0.09 0.00 -1.71 0.00 0.00 66.02 61.65 3hj5 s SER 135 CO 0.18 -0.80 0.99 -0.13 1.20 0.00 0.00 173.24 174.68 3hj5 s ARG 136 N -1.61 4.69 0.51 5.44 0.52 -1.26 -5.02 118.95 122.22 3hj5 s ARG 136 Ca 0.54 1.54 -0.23 0.00 -0.52 0.00 0.00 55.73 57.06 3hj5 s ARG 136 Cb -0.45 -3.10 -0.06 0.00 0.52 0.00 0.00 34.95 31.86 3hj5 s ARG 136 CO 0.57 0.34 1.35 -2.14 0.02 0.00 0.00 175.30 175.44 3hj5 s PRO 137 N -1.53 3.36 -0.32 3.54 0.02 -1.26 -5.02 135.00 133.79 3hj5 s PRO 137 Ca 0.45 2.23 -0.13 0.00 0.02 0.00 0.00 61.00 63.57 3hj5 s PRO 137 Cb -0.26 -2.39 -0.03 0.00 0.02 0.00 0.00 34.50 31.85 3hj5 s PRO 137 CO 0.32 -1.01 0.28 0.42 -0.33 0.00 0.00 177.00 176.68 3hj5 s ILE 138 N -1.30 5.25 -0.04 2.83 1.01 -1.26 -5.07 121.20 122.62 3hj5 s ILE 138 Ca 0.68 0.03 0.06 0.00 0.00 0.00 0.00 60.65 61.42 3hj5 s ILE 138 Cb -0.40 -3.70 -0.01 0.00 0.01 0.00 0.00 42.46 38.36 3hj5 s ILE 138 CO 0.49 0.04 -0.22 -0.63 0.00 0.00 0.00 174.94 174.62 3hj5 s ILE 139 N 1.85 1.81 -0.83 2.92 1.01 -1.26 -5.07 121.20 121.64 3hj5 s ILE 139 Ca 0.09 -0.95 -0.10 0.00 0.00 0.00 0.00 60.65 59.69 3hj5 s ILE 139 Cb -0.17 -1.53 0.21 0.00 0.01 0.00 0.00 42.46 40.99 3hj5 s ILE 139 CO 0.11 0.51 0.74 -1.00 0.00 0.00 0.00 174.94 175.30 3hj5 s HIS 140 N -0.27 3.76 0.83 3.97 3.76 -1.26 -4.97 115.29 121.11 3hj5 s HIS 140 Ca 0.01 -2.35 -0.11 0.00 -0.15 0.00 0.00 55.06 52.46 3hj5 s HIS 140 Cb -0.11 -3.63 0.09 0.00 1.11 0.00 0.00 32.58 30.04 3hj5 s HIS 140 CO 0.02 -0.93 1.09 -0.06 -0.85 0.00 0.00 174.74 174.01 3hj5 s PHE 141 N -0.23 2.60 0.10 1.40 0.08 -1.26 -4.99 117.98 115.68 3hj5 s PHE 141 Ca 0.20 1.26 -0.22 0.00 0.12 0.00 0.00 56.93 58.29 3hj5 s PHE 141 Cb -0.12 -3.12 -0.11 0.00 -0.57 0.00 0.00 43.02 39.11 3hj5 s PHE 141 CO -0.08 -2.01 1.73 0.78 -0.10 0.00 0.00 175.22 175.54 3hj5 h GLY 142 N -1.27 0.06 -1.83 4.36 0.00 -1.99 -3.45 103.07 98.95 3hj5 h GLY 142 Ca -0.47 0.02 -0.50 0.00 0.00 0.00 0.00 47.33 46.37 3hj5 h GLY 142 CO 0.56 -0.02 -0.25 -1.35 0.00 0.00 0.00 176.54 175.48 3hj5 s SER 143 N -5.20 5.07 0.25 0.19 1.04 -1.26 -5.03 113.70 108.76 3hj5 s SER 143 Ca -0.13 -0.84 0.14 0.00 0.48 0.00 0.00 55.95 55.59 3hj5 s SER 143 Cb 0.08 -0.07 0.03 0.00 0.10 0.00 0.00 66.02 66.15 3hj5 s SER 143 CO 0.67 -1.00 1.42 -0.78 0.98 0.00 0.00 173.24 174.53 3hj5 h ASP 144 N 0.62 0.00 0.38 7.02 3.58 -1.98 -2.66 116.42 123.37 3hj5 h ASP 144 Ca -0.36 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.07 3hj5 h ASP 144 Cb 1.28 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.34 3hj5 h ASP 144 CO 0.50 0.58 -0.18 0.22 -2.88 0.00 0.00 179.24 177.48 3hj5 h TYR 145 N 0.00 -0.47 -0.17 0.28 3.20 -1.98 -2.27 116.97 115.56 3hj5 h TYR 145 Ca -0.01 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.85 3hj5 h TYR 145 Cb 1.44 0.16 -0.01 0.00 1.54 0.00 0.00 36.73 39.86 3hj5 h TYR 145 CO 0.00 -0.16 0.09 0.93 -1.64 0.00 0.00 178.16 177.38 3hj5 h GLU 146 N -0.77 0.24 -0.51 1.82 5.08 -1.97 1.02 114.58 119.49 3hj5 h GLU 146 Ca -0.05 -0.03 0.12 0.00 -1.00 0.00 0.00 59.36 58.41 3hj5 h GLU 146 Cb 0.52 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.70 3hj5 h GLU 146 CO 0.09 0.23 0.35 -0.44 -1.00 0.00 0.00 179.01 178.24 3hj5 h ASP 147 N 0.17 0.11 0.02 1.42 3.32 -1.50 0.24 116.42 120.20 3hj5 h ASP 147 Ca 0.06 0.00 -0.38 0.00 0.02 0.00 0.00 57.03 56.73 3hj5 h ASP 147 Cb 0.07 -0.02 -0.07 0.00 0.22 0.00 0.00 39.33 39.53 3hj5 h ASP 147 CO -0.01 0.06 -2.41 -1.14 -1.72 0.00 0.00 179.24 174.02 3hj5 n ARG 148 N -4.42 0.67 -0.24 3.56 0.63 -0.86 -2.53 116.66 113.47 3hj5 n ARG 148 Ca 0.09 0.13 0.04 0.00 -0.92 0.00 0.00 57.85 57.18 3hj5 n ARG 148 Cb 0.49 -1.54 0.16 0.00 0.45 0.00 0.00 32.46 32.02 3hj5 n ARG 148 CO 0.00 0.00 0.00 -0.92 -2.51 0.00 0.00 177.63 174.20 3hj5 h TYR 149 N 0.01 0.41 0.00 -0.14 3.20 0.14 -0.83 116.97 119.75 3hj5 h TYR 149 Ca -0.56 0.04 -0.14 0.00 3.14 0.00 0.00 58.73 61.21 3hj5 h TYR 149 Cb 1.98 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 40.16 3hj5 h TYR 149 CO 0.03 0.03 -0.68 -0.92 -1.64 0.00 0.00 178.16 174.98 3hj5 h TYR 150 N 0.38 0.00 -0.45 -3.82 3.20 -0.66 -2.05 116.97 113.57 3hj5 h TYR 150 Ca 0.38 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.22 3hj5 h TYR 150 Cb 0.57 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.82 3hj5 h TYR 150 CO -0.19 0.68 0.18 -0.09 -1.64 0.00 0.00 178.16 177.10 3hj5 h ARG 151 N 0.00 0.68 0.00 1.82 2.43 -1.04 -2.64 114.38 115.63 3hj5 h ARG 151 Ca -0.01 -0.13 0.00 0.00 -0.81 0.00 0.00 59.98 59.04 3hj5 h ARG 151 Cb 1.25 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.69 3hj5 h ARG 151 CO 0.09 0.63 0.00 0.93 -1.51 0.00 0.00 179.97 180.11 3hj5 h GLU 152 N 0.59 0.00 0.00 0.20 5.08 -0.93 -3.37 114.58 116.14 3hj5 h GLU 152 Ca 0.15 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 3hj5 h GLU 152 Cb 0.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.45 3hj5 h GLU 152 CO -0.01 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 178.09 3hj5 n ASN 153 N -2.89 1.15 0.25 1.42 3.02 -0.79 -4.70 115.26 112.72 3hj5 n ASN 153 Ca 0.03 -1.21 0.10 0.00 -0.03 0.00 0.00 54.58 53.48 3hj5 n ASN 153 Cb 0.45 0.00 0.64 0.00 -0.61 0.00 0.00 39.78 40.26 3hj5 n ASN 153 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hj5 h MET 154 N 0.00 0.00 0.00 3.52 -0.00 -1.65 -1.09 114.93 115.71 3hj5 h MET 154 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 3hj5 h MET 154 Cb 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.74 3hj5 h MET 154 CO 0.00 0.16 0.00 -2.39 -0.00 0.00 0.00 176.91 174.68 3hj5 n HIS 155 N -3.78 0.20 0.80 -0.10 1.44 -1.26 -1.36 115.22 111.16 3hj5 n HIS 155 Ca -0.02 0.09 0.12 0.00 -2.01 0.00 0.00 57.72 55.91 3hj5 n HIS 155 Cb 0.26 -0.65 0.21 0.00 0.12 0.00 0.00 29.99 29.93 3hj5 n HIS 155 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 3hj5 n ARG 156 N -1.70 0.14 -3.58 -1.40 1.74 -0.41 -4.93 116.66 106.52 3hj5 n ARG 156 Ca 0.01 0.03 -0.20 0.00 -0.77 0.00 0.00 57.85 56.93 3hj5 n ARG 156 Cb 0.09 -1.58 -0.01 0.00 -1.02 0.00 0.00 32.46 29.94 3hj5 n ARG 156 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3hj5 s TYR 157 N -3.08 3.22 0.19 -1.55 2.02 -0.47 -5.05 117.35 112.64 3hj5 s TYR 157 Ca 0.09 -0.13 -0.30 0.00 -0.37 0.00 0.00 57.07 56.35 3hj5 s TYR 157 Cb 0.16 -1.89 -0.08 0.00 -0.40 0.00 0.00 41.96 39.74 3hj5 s TYR 157 CO 0.71 0.10 1.24 -1.25 -1.57 0.00 0.00 175.55 174.78 3hj5 s PRO 158 N -4.14 4.45 0.00 -1.71 0.04 -1.26 -4.93 135.00 127.45 3hj5 s PRO 158 Ca 0.42 1.95 0.26 0.00 0.04 0.00 0.00 61.00 63.67 3hj5 s PRO 158 Cb -0.09 -3.22 0.65 0.00 0.04 0.00 0.00 34.50 31.87 3hj5 s PRO 158 CO 0.31 -0.15 1.51 0.27 0.04 0.00 0.00 177.00 178.98 3hj5 n ASN 159 N 2.50 0.47 -3.98 6.66 6.94 -1.26 -4.94 115.26 121.65 3hj5 n ASN 159 Ca 0.05 -0.21 -0.10 0.00 -0.02 0.00 0.00 54.58 54.30 3hj5 n ASN 159 Cb 0.44 0.13 -0.06 0.00 -2.36 0.00 0.00 39.78 37.93 3hj5 n ASN 159 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3hj5 s GLN 160 N -2.94 1.35 0.16 -3.83 -2.07 -1.26 -0.52 119.66 110.55 3hj5 s GLN 160 Ca 0.13 -1.23 0.07 0.00 -1.82 0.00 0.00 55.36 52.52 3hj5 s GLN 160 Cb 0.18 0.42 -0.04 0.00 -1.09 0.00 0.00 33.01 32.48 3hj5 s GLN 160 CO 0.66 -0.53 -0.16 0.14 -1.32 0.00 0.00 175.29 174.07 3hj5 s VAL 161 N -4.00 1.65 -0.28 3.63 -7.23 -1.25 -4.93 120.40 107.98 3hj5 s VAL 161 Ca 0.21 -1.91 -0.08 0.00 -1.81 0.00 0.00 61.98 58.39 3hj5 s VAL 161 Cb 0.02 -1.79 -0.01 0.00 0.56 0.00 0.00 36.38 35.16 3hj5 s VAL 161 CO 0.05 -0.40 0.10 -0.31 -0.31 0.00 0.00 175.10 174.22 3hj5 s TYR 162 N -2.26 3.13 0.31 2.82 1.51 -1.26 0.37 117.35 121.96 3hj5 s TYR 162 Ca 0.15 -0.67 0.03 0.00 -1.01 0.00 0.00 57.07 55.57 3hj5 s TYR 162 Cb -0.04 -2.28 -0.04 0.00 -0.11 0.00 0.00 41.96 39.49 3hj5 s TYR 162 CO 0.05 -0.47 0.15 1.52 -1.11 0.00 0.00 175.55 175.70 3hj5 s TYR 163 N 1.57 1.61 -0.24 2.71 -0.85 -0.21 -4.24 117.35 117.71 3hj5 s TYR 163 Ca 0.05 -1.34 -0.07 0.00 -0.52 0.00 0.00 57.07 55.19 3hj5 s TYR 163 Cb -0.16 -0.89 -0.03 0.00 0.38 0.00 0.00 41.96 41.26 3hj5 s TYR 163 CO 0.04 -0.48 0.05 0.50 -1.52 0.00 0.00 175.55 174.13 3hj5 s ARG 164 N -3.83 3.63 0.45 -3.49 3.52 -1.26 -0.95 118.95 117.02 3hj5 s ARG 164 Ca 0.35 -0.49 -0.24 0.00 -0.13 0.00 0.00 55.73 55.22 3hj5 s ARG 164 Cb 0.05 -3.25 -0.10 0.00 -1.56 0.00 0.00 34.95 30.09 3hj5 s ARG 164 CO 0.17 -0.14 1.02 -2.30 -0.81 0.00 0.00 175.30 173.24 3hj5 n PRO 165 N 4.76 1.34 -1.67 5.12 -0.02 -1.26 -4.86 135.00 138.41 3hj5 n PRO 165 Ca -0.17 0.48 -0.40 0.00 -2.02 0.00 0.00 63.50 61.40 3hj5 n PRO 165 Cb 0.51 -2.09 0.02 0.00 -0.02 0.00 0.00 33.50 31.92 3hj5 n PRO 165 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 3hj5 n MET 166 N -0.02 1.61 0.00 -0.52 2.81 -1.26 -5.04 117.12 114.70 3hj5 n MET 166 Ca 0.10 0.58 0.00 0.00 -1.81 0.00 0.00 57.70 56.57 3hj5 n MET 166 Cb 0.40 -2.29 0.00 0.00 -0.71 0.00 0.00 33.22 30.63 3hj5 n MET 166 CO 0.00 0.00 0.00 -0.40 1.51 0.00 0.00 175.97 177.08 3hj5 n ASP 167 N 0.01 0.00 -0.10 7.83 5.68 -1.26 -5.06 116.55 123.64 3hj5 n ASP 167 Ca 0.09 0.00 0.14 0.00 -0.50 0.00 0.00 54.79 54.52 3hj5 n ASP 167 Cb 0.41 0.00 0.66 0.00 -1.14 0.00 0.00 41.12 41.05 3hj5 n ASP 167 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 3hj5 n GLU 168 N 0.00 0.72 -0.08 0.11 1.02 -1.26 -3.24 120.64 117.92 3hj5 n GLU 168 Ca 0.00 -0.21 0.03 0.00 -0.02 0.00 0.00 57.16 56.96 3hj5 n GLU 168 Cb 0.00 -1.50 0.08 0.00 -0.02 0.00 0.00 31.44 30.00 3hj5 n GLU 168 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 3hj5 n TYR 169 N -0.95 0.20 -2.43 -0.32 4.01 -1.26 -4.94 117.16 111.47 3hj5 n TYR 169 Ca 0.16 -0.36 -0.38 0.00 -0.16 0.00 0.00 57.90 57.15 3hj5 n TYR 169 Cb 0.26 -0.03 -0.03 0.00 -0.31 0.00 0.00 39.34 39.23 3hj5 n TYR 169 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 3hj5 s SER 170 N -0.88 6.11 -0.14 7.72 0.01 -1.20 -4.98 113.70 120.35 3hj5 s SER 170 Ca 0.12 -1.01 -0.22 0.00 1.31 0.00 0.00 55.95 56.15 3hj5 s SER 170 Cb 0.07 -2.56 -0.03 0.00 0.21 0.00 0.00 66.02 63.70 3hj5 s SER 170 CO 0.09 -1.85 0.66 0.54 0.41 0.00 0.00 173.24 173.09 3hj5 s ASN 171 N 5.50 6.83 0.14 2.44 2.20 -1.26 -4.95 114.94 125.85 3hj5 s ASN 171 Ca 0.50 1.01 0.03 0.00 -0.94 0.00 0.00 52.86 53.45 3hj5 s ASN 171 Cb -0.03 -2.38 0.40 0.00 -2.00 0.00 0.00 41.25 37.24 3hj5 s ASN 171 CO -0.02 -0.20 0.69 1.67 -2.94 0.00 0.00 177.10 176.31 3hj5 n GLN 172 N 4.43 -0.03 0.01 3.55 7.27 -1.26 -0.10 117.38 131.23 3hj5 n GLN 172 Ca -0.01 0.65 -0.12 0.00 0.07 0.00 0.00 57.00 57.59 3hj5 n GLN 172 Cb 0.50 -1.06 -0.07 0.00 2.41 0.00 0.00 30.24 32.03 3hj5 n GLN 172 CO 0.00 0.00 0.00 -0.97 0.07 0.00 0.00 177.06 176.16 3hj5 h ASN 173 N 0.00 0.07 -0.72 1.69 -1.24 -1.99 -0.93 115.58 112.46 3hj5 h ASN 173 Ca 0.29 -0.13 -0.02 0.00 0.71 0.00 0.00 56.30 57.15 3hj5 h ASN 173 Cb 0.66 -0.02 -0.03 0.00 0.73 0.00 0.00 38.32 39.66 3hj5 h ASN 173 CO -0.40 0.18 0.36 -0.55 -1.29 0.00 0.00 177.43 175.73 3hj5 h ASN 174 N -0.05 0.92 -0.21 1.15 7.08 -0.90 -1.57 115.58 122.01 3hj5 h ASN 174 Ca 0.02 -0.12 0.04 0.00 -3.08 0.00 0.00 56.30 53.15 3hj5 h ASN 174 Cb 0.13 -0.24 -0.03 0.00 -2.08 0.00 0.00 38.32 36.10 3hj5 h ASN 174 CO -0.00 0.79 -0.01 0.15 -2.08 0.00 0.00 177.43 176.28 3hj5 h PHE 175 N 1.00 -0.02 -0.26 4.14 3.57 -1.19 -2.40 116.94 121.77 3hj5 h PHE 175 Ca 0.25 0.02 -0.15 0.00 3.53 0.00 0.00 57.97 61.61 3hj5 h PHE 175 Cb 0.10 0.04 -0.00 0.00 2.79 0.00 0.00 35.95 38.88 3hj5 h PHE 175 CO 0.00 -0.04 -0.42 -0.39 -2.23 0.00 0.00 178.31 175.23 3hj5 h VAL 176 N 0.06 1.30 -0.53 1.41 -1.51 -1.16 -2.28 116.25 113.55 3hj5 h VAL 176 Ca 0.10 -1.62 0.09 0.00 -1.23 0.00 0.00 66.70 64.04 3hj5 h VAL 176 Cb 0.13 1.70 -0.07 0.00 -2.13 0.00 0.00 31.29 30.91 3hj5 h VAL 176 CO -0.17 0.52 0.11 -0.74 -1.23 0.00 0.00 177.57 176.05 3hj5 h HIS 177 N 0.48 0.17 0.00 5.19 -0.00 -1.09 0.54 115.15 120.44 3hj5 h HIS 177 Ca 0.02 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.42 3hj5 h HIS 177 Cb 1.02 0.01 0.00 0.00 -0.00 0.00 0.00 27.41 28.44 3hj5 h HIS 177 CO 0.08 -0.01 0.00 -0.25 -0.00 0.00 0.00 177.93 177.75 3hj5 n ASP 178 N -5.12 0.00 -0.30 3.26 9.92 -0.92 -2.77 116.55 120.62 3hj5 n ASP 178 Ca 0.06 0.76 0.07 0.00 -0.53 0.00 0.00 54.79 55.15 3hj5 n ASP 178 Cb 0.26 -0.26 0.15 0.00 -0.64 0.00 0.00 41.12 40.63 3hj5 n ASP 178 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3hj5 h VAL 180 N 0.00 0.90 0.00 0.00 2.07 -0.96 -1.51 116.25 116.75 3hj5 h VAL 180 Ca 0.43 -0.09 -0.12 0.00 0.82 0.00 0.00 66.70 67.74 3hj5 h VAL 180 Cb 0.71 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 3hj5 h VAL 180 CO -0.86 0.05 -0.55 0.78 0.02 0.00 0.00 177.57 177.00 3hj5 h ASN 181 N 0.28 0.00 0.01 0.57 4.21 0.84 -2.42 115.58 119.07 3hj5 h ASN 181 Ca 0.16 0.00 -0.00 0.00 1.21 0.00 0.00 56.30 57.67 3hj5 h ASN 181 Cb 0.13 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.33 3hj5 h ASN 181 CO -0.16 0.55 -0.00 0.40 -1.29 0.00 0.00 177.43 176.93 3hj5 h ILE 182 N 0.00 1.44 -0.67 2.81 1.08 -1.19 -2.70 117.51 118.28 3hj5 h ILE 182 Ca -0.01 -1.99 0.14 0.00 -0.39 0.00 0.00 64.86 62.61 3hj5 h ILE 182 Cb 1.29 2.68 -0.11 0.00 -3.07 0.00 0.00 36.82 37.61 3hj5 h ILE 182 CO 0.07 0.47 -0.01 0.74 -0.69 0.00 0.00 178.15 178.74 3hj5 h THR 183 N -0.96 0.43 0.46 -0.27 2.02 -1.35 0.46 112.91 113.70 3hj5 h THR 183 Ca -0.00 -0.04 -0.02 0.00 0.77 0.00 0.00 66.41 67.12 3hj5 h THR 183 Cb 0.79 0.32 0.00 0.00 -1.74 0.00 0.00 68.15 67.52 3hj5 h THR 183 CO 0.00 0.02 -0.22 0.40 0.37 0.00 0.00 175.52 176.09 3hj5 h ILE 184 N 0.11 0.46 -0.97 3.11 2.04 -1.55 -2.27 117.51 118.44 3hj5 h ILE 184 Ca 0.35 -0.41 0.13 0.00 1.00 0.00 0.00 64.86 65.93 3hj5 h ILE 184 Cb 0.58 0.63 -0.08 0.00 -0.74 0.00 0.00 36.82 37.21 3hj5 h ILE 184 CO -0.58 0.06 0.62 0.50 0.00 0.00 0.00 178.15 178.75 3hj5 h LYS 185 N -0.89 0.89 -0.02 2.37 3.64 -1.06 0.17 116.57 121.67 3hj5 h LYS 185 Ca -0.06 -0.05 -0.10 0.00 -1.27 0.00 0.00 60.65 59.17 3hj5 h LYS 185 Cb 0.58 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.18 3hj5 h LYS 185 CO 0.10 0.59 -0.44 0.37 -2.27 0.00 0.00 179.45 177.80 3hj5 h GLN 186 N 0.92 0.04 -0.14 1.90 5.75 -0.91 -2.54 115.11 120.14 3hj5 h GLN 186 Ca 0.48 -0.02 -0.21 0.00 -0.15 0.00 0.00 58.65 58.76 3hj5 h GLN 186 Cb 0.54 -0.00 0.01 0.00 1.07 0.00 0.00 27.48 29.10 3hj5 h GLN 186 CO -0.25 0.48 -0.72 1.25 -2.65 0.00 0.00 178.83 176.94 3hj5 h HIS 187 N 0.03 0.99 -0.30 3.99 2.76 -0.25 -3.12 115.15 119.26 3hj5 h HIS 187 Ca -0.00 -0.44 0.07 0.00 -2.20 0.00 0.00 60.37 57.80 3hj5 h HIS 187 Cb 0.80 -0.15 -0.07 0.00 1.55 0.00 0.00 27.41 29.54 3hj5 h HIS 187 CO 0.00 1.26 -0.21 1.15 -1.30 0.00 0.00 177.93 178.83 3hj5 h THR 188 N 0.44 0.42 0.00 6.26 2.02 -0.55 -3.10 112.91 118.41 3hj5 h THR 188 Ca -0.05 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.13 3hj5 h THR 188 Cb 1.35 0.42 0.00 0.00 -1.74 0.00 0.00 68.15 68.19 3hj5 h THR 188 CO 0.15 0.00 0.00 1.33 0.37 0.00 0.00 175.52 177.37 3hj5 n VAL 189 N -5.37 0.47 -1.72 3.16 0.24 -0.98 -4.83 118.33 109.31 3hj5 n VAL 189 Ca 0.00 -0.17 -0.39 0.00 -2.04 0.00 0.00 64.34 61.74 3hj5 n VAL 189 Cb 0.28 -0.61 0.03 0.00 -1.47 0.00 0.00 33.84 32.08 3hj5 n VAL 189 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 3hj5 n THR 190 N -2.06 3.34 -3.79 3.34 -1.04 -1.17 -5.00 114.28 107.90 3hj5 n THR 190 Ca 0.06 -0.50 -0.33 0.00 -2.04 0.00 0.00 64.05 61.24 3hj5 n THR 190 Cb 0.39 -1.59 -0.05 0.00 -1.82 0.00 0.00 70.33 67.26 3hj5 n THR 190 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 3hj5 s THR 191 N -1.28 5.30 -0.23 12.58 -4.23 -1.26 -5.05 115.64 121.47 3hj5 s THR 191 Ca 0.68 -0.04 -0.28 0.00 -1.18 0.00 0.00 61.69 60.88 3hj5 s THR 191 Cb -0.45 -3.60 0.14 0.00 1.34 0.00 0.00 72.50 69.94 3hj5 s THR 191 CO 0.52 0.22 1.11 0.28 -0.54 0.00 0.00 174.62 176.22 3hj5 s THR 192 N -1.45 0.00 0.37 3.99 -1.32 -1.26 -5.15 115.64 110.82 3hj5 s THR 192 Ca 0.33 0.00 -0.28 0.00 -1.21 0.00 0.00 61.69 60.53 3hj5 s THR 192 Cb -0.13 -1.00 -0.11 0.00 -1.51 0.00 0.00 72.50 69.75 3hj5 s THR 192 CO 0.22 0.00 1.45 0.42 -2.21 0.00 0.00 174.62 174.49 3hj5 s THR 193 N -0.56 2.19 0.59 5.08 -4.23 -1.26 -4.85 115.64 112.60 3hj5 s THR 193 Ca 0.02 0.19 0.30 0.00 -1.18 0.00 0.00 61.69 61.02 3hj5 s THR 193 Cb -0.02 -3.12 0.42 0.00 1.34 0.00 0.00 72.50 71.11 3hj5 s THR 193 CO -0.04 0.05 1.68 0.11 -0.54 0.00 0.00 174.62 175.88 3hj5 h LYS 194 N 3.10 0.00 -0.10 3.99 1.57 -2.01 -2.49 116.57 120.63 3hj5 h LYS 194 Ca -0.50 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.04 3hj5 h LYS 194 Cb 1.24 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.56 3hj5 h LYS 194 CO 0.65 0.00 -0.87 0.78 -0.57 0.00 0.00 179.45 179.43 3hj5 h GLY 195 N 0.00 0.83 1.50 3.86 0.00 -1.98 -3.11 103.07 104.17 3hj5 h GLY 195 Ca 0.37 -1.27 0.00 0.00 0.00 0.00 0.00 47.33 46.43 3hj5 h GLY 195 CO -0.00 1.13 0.00 1.18 0.00 0.00 0.00 176.54 178.84 3hj5 n GLU 196 N -3.90 0.12 -0.46 4.80 1.02 -0.94 -0.24 120.64 121.04 3hj5 n GLU 196 Ca -0.09 0.19 0.08 0.00 -0.02 0.00 0.00 57.16 57.33 3hj5 n GLU 196 Cb 0.80 -1.50 0.29 0.00 -0.02 0.00 0.00 31.44 31.00 3hj5 n GLU 196 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3hj5 n ASN 197 N -1.25 4.09 -4.43 1.62 5.03 -1.17 -4.95 115.26 114.20 3hj5 n ASN 197 Ca 0.04 -2.41 -0.36 0.00 0.87 0.00 0.00 54.58 52.72 3hj5 n ASN 197 Cb 0.05 -0.48 -0.13 0.00 -1.02 0.00 0.00 39.78 38.21 3hj5 n ASN 197 CO 0.00 0.00 0.00 -0.36 -1.83 0.00 0.00 177.26 175.07 3hj5 s PHE 198 N -1.76 3.06 0.85 3.10 2.99 0.67 -5.08 117.98 121.81 3hj5 s PHE 198 Ca 0.42 -0.51 -0.12 0.00 0.00 0.00 0.00 56.93 56.72 3hj5 s PHE 198 Cb 0.27 -2.18 0.13 0.00 0.00 0.00 0.00 43.02 41.25 3hj5 s PHE 198 CO 0.20 -0.36 1.20 0.95 -0.00 0.00 0.00 175.22 177.22 3hj5 s THR 199 N 1.43 2.05 0.20 0.64 -4.23 -1.26 -4.94 115.64 109.54 3hj5 s THR 199 Ca 0.05 -0.09 -0.10 0.00 -1.18 0.00 0.00 61.69 60.37 3hj5 s THR 199 Cb -0.15 -2.96 0.13 0.00 1.34 0.00 0.00 72.50 70.86 3hj5 s THR 199 CO 0.02 0.00 1.83 -0.08 -0.54 0.00 0.00 174.62 175.85 3hj5 h GLU 200 N -1.20 0.73 0.00 3.99 4.57 -1.99 -2.38 114.58 118.30 3hj5 h GLU 200 Ca -0.44 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 57.69 3hj5 h GLU 200 Cb 1.28 -0.16 0.00 0.00 -0.16 0.00 0.00 28.75 29.71 3hj5 h GLU 200 CO 0.51 0.48 0.00 1.15 -1.18 0.00 0.00 179.01 179.97 3hj5 h THR 201 N 0.75 0.00 0.19 0.32 2.02 -2.00 0.12 112.91 114.31 3hj5 h THR 201 Ca 0.27 -0.15 -0.27 0.00 0.77 0.00 0.00 66.41 67.04 3hj5 h THR 201 Cb 0.08 0.93 0.03 0.00 -1.74 0.00 0.00 68.15 67.45 3hj5 h THR 201 CO -0.13 0.00 -1.21 0.44 0.37 0.00 0.00 175.52 174.99 3hj5 h ASP 202 N 0.00 0.63 -0.60 4.18 3.32 -1.80 -3.26 116.42 118.88 3hj5 h ASP 202 Ca 0.00 -0.93 -0.08 0.00 0.02 0.00 0.00 57.03 56.04 3hj5 h ASP 202 Cb 0.18 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.50 3hj5 h ASP 202 CO 0.00 1.57 0.09 0.58 -1.72 0.00 0.00 179.24 179.76 3hj5 h VAL 203 N -0.12 1.26 -0.99 -1.35 2.07 -0.52 0.17 116.25 116.76 3hj5 h VAL 203 Ca -0.22 -1.02 0.06 0.00 0.82 0.00 0.00 66.70 66.35 3hj5 h VAL 203 Cb 1.90 0.68 -0.07 0.00 -1.52 0.00 0.00 31.29 32.28 3hj5 h VAL 203 CO 0.20 0.38 0.64 0.11 0.02 0.00 0.00 177.57 178.91 3hj5 h LYS 204 N 0.96 1.12 0.18 1.57 1.79 -1.45 -1.92 116.57 118.82 3hj5 h LYS 204 Ca 0.19 -0.07 -0.24 0.00 -2.18 0.00 0.00 60.65 58.36 3hj5 h LYS 204 Cb 0.43 -0.25 0.03 0.00 -1.58 0.00 0.00 32.23 30.85 3hj5 h LYS 204 CO 0.01 0.74 -1.03 0.52 -1.08 0.00 0.00 179.45 178.61 3hj5 h MET 205 N 1.16 0.38 0.45 3.15 2.86 -1.40 -2.99 114.93 118.53 3hj5 h MET 205 Ca 0.43 -0.65 -0.02 0.00 -2.06 0.00 0.00 59.70 57.40 3hj5 h MET 205 Cb 0.16 0.24 0.00 0.00 0.06 0.00 0.00 31.60 32.07 3hj5 h MET 205 CO -0.17 1.31 -0.22 1.98 1.06 0.00 0.00 176.91 180.87 3hj5 h MET 206 N -0.21 -0.58 0.00 1.72 -1.53 -0.59 -1.63 114.93 112.11 3hj5 h MET 206 Ca -0.18 0.04 0.00 0.00 -3.44 0.00 0.00 59.70 56.12 3hj5 h MET 206 Cb 1.81 0.13 0.00 0.00 -0.55 0.00 0.00 31.60 33.00 3hj5 h MET 206 CO 0.19 -0.39 0.00 -0.85 0.14 0.00 0.00 176.91 176.00 3hj5 n GLU 207 N -5.35 0.16 -0.03 0.39 0.28 -0.73 -0.29 120.64 115.07 3hj5 n GLU 207 Ca -0.11 0.40 -0.13 0.00 -0.16 0.00 0.00 57.16 57.16 3hj5 n GLU 207 Cb 0.26 -1.82 -0.11 0.00 1.43 0.00 0.00 31.44 31.20 3hj5 n GLU 207 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 177.13 176.88 3hj5 h ARG 208 N 0.00 -0.00 0.66 3.44 9.65 -1.28 -2.73 114.38 124.12 3hj5 h ARG 208 Ca 0.00 0.00 -0.03 0.00 -1.10 0.00 0.00 59.98 58.85 3hj5 h ARG 208 Cb 0.34 0.00 0.01 0.00 -1.39 0.00 0.00 29.97 28.93 3hj5 h ARG 208 CO 0.00 0.64 -0.32 0.28 2.80 0.00 0.00 179.97 183.37 3hj5 h VAL 209 N -0.64 0.26 0.00 0.20 2.07 -0.24 -2.85 116.25 115.04 3hj5 h VAL 209 Ca -0.00 -0.20 -0.01 0.00 0.82 0.00 0.00 66.70 67.31 3hj5 h VAL 209 Cb 0.64 0.32 -0.00 0.00 -1.52 0.00 0.00 31.29 30.73 3hj5 h VAL 209 CO 0.00 0.02 -0.07 0.58 0.02 0.00 0.00 177.57 178.12 3hj5 h VAL 210 N -1.05 0.47 0.22 2.57 2.07 -0.82 -2.52 116.25 117.20 3hj5 h VAL 210 Ca -0.09 -0.33 -0.01 0.00 0.82 0.00 0.00 66.70 67.09 3hj5 h VAL 210 Cb 0.72 1.22 0.00 0.00 -1.52 0.00 0.00 31.29 31.71 3hj5 h VAL 210 CO 0.15 0.07 -0.11 -0.08 0.02 0.00 0.00 177.57 177.62 3hj5 h GLU 211 N 0.00 -0.29 0.00 1.57 4.81 -1.36 -2.86 114.58 116.45 3hj5 h GLU 211 Ca -0.00 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 3hj5 h GLU 211 Cb 0.22 0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.66 3hj5 h GLU 211 CO 0.01 -0.19 0.00 -0.56 -0.73 0.00 0.00 179.01 177.54 3hj5 h GLN 212 N -0.35 0.00 0.02 1.92 3.07 -1.26 0.76 115.11 119.27 3hj5 h GLN 212 Ca -0.03 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.71 3hj5 h GLN 212 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.79 3hj5 h GLN 212 CO 0.05 0.00 -0.01 0.52 0.09 0.00 0.00 178.83 179.48 3hj5 h MET 213 N 0.00 -0.03 -0.62 0.06 2.86 -1.50 -2.67 114.93 113.04 3hj5 h MET 213 Ca 0.00 0.00 0.09 0.00 -2.06 0.00 0.00 59.70 57.73 3hj5 h MET 213 Cb 0.00 0.01 -0.07 0.00 0.06 0.00 0.00 31.60 31.60 3hj5 h MET 213 CO 0.00 0.58 0.25 0.00 1.06 0.00 0.00 176.91 178.80 3hj5 h ILE 215 N 0.44 0.18 -0.11 0.00 1.08 -1.29 0.89 117.51 118.70 3hj5 h ILE 215 Ca 0.31 -0.03 -0.04 0.00 -0.39 0.00 0.00 64.86 64.71 3hj5 h ILE 215 Cb 0.37 0.09 -0.00 0.00 -3.07 0.00 0.00 36.82 34.21 3hj5 h ILE 215 CO -0.29 0.02 -0.10 0.74 -0.69 0.00 0.00 178.15 177.82 3hj5 h THR 216 N 0.08 1.35 -0.89 -0.27 2.02 -0.76 -2.63 112.91 111.81 3hj5 h THR 216 Ca 0.53 -1.25 0.19 0.00 0.77 0.00 0.00 66.41 66.66 3hj5 h THR 216 Cb 1.06 1.92 -0.07 0.00 -1.74 0.00 0.00 68.15 69.32 3hj5 h THR 216 CO -0.78 0.36 0.59 1.56 0.37 0.00 0.00 175.52 177.61 3hj5 h GLN 217 N -0.12 0.45 0.19 6.66 1.08 0.20 -2.26 115.11 121.31 3hj5 h GLN 217 Ca 0.02 -0.03 -0.01 0.00 -1.45 0.00 0.00 58.65 57.18 3hj5 h GLN 217 Cb 0.62 -0.10 0.00 0.00 -0.05 0.00 0.00 27.48 27.95 3hj5 h GLN 217 CO 0.03 0.30 -0.09 -0.92 -0.95 0.00 0.00 178.83 177.20 3hj5 h TYR 218 N 0.46 -0.23 -0.90 2.96 3.20 0.11 0.34 116.97 122.92 3hj5 h TYR 218 Ca 0.46 -0.01 0.23 0.00 3.14 0.00 0.00 58.73 62.56 3hj5 h TYR 218 Cb 1.07 0.08 -0.13 0.00 1.54 0.00 0.00 36.73 39.29 3hj5 h TYR 218 CO -0.00 -0.14 0.37 1.05 -1.64 0.00 0.00 178.16 177.79 3hj5 h GLU 219 N -0.33 0.34 0.34 1.82 4.11 -1.51 0.16 114.58 119.51 3hj5 h GLU 219 Ca -0.03 -0.02 -0.01 0.00 0.07 0.00 0.00 59.36 59.37 3hj5 h GLU 219 Cb 0.19 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.36 3hj5 h GLU 219 CO 0.04 0.23 -0.21 0.00 0.07 0.00 0.00 179.01 179.14 3hj5 h ARG 220 N 0.35 -0.51 0.00 1.06 3.08 -1.33 1.09 114.38 118.12 3hj5 h ARG 220 Ca 0.57 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.65 3hj5 h ARG 220 Cb 1.10 0.12 0.00 0.00 0.08 0.00 0.00 29.97 31.27 3hj5 h ARG 220 CO -0.56 -0.34 0.00 0.39 -1.07 0.00 0.00 179.97 178.39 3hj5 n GLU 221 N -5.34 0.13 -0.01 0.04 -0.58 0.12 -2.20 120.64 112.80 3hj5 n GLU 221 Ca -0.10 0.63 0.02 0.00 -0.42 0.00 0.00 57.16 57.29 3hj5 n GLU 221 Cb 0.25 -1.93 -0.05 0.00 -0.57 0.00 0.00 31.44 29.14 3hj5 n GLU 221 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 3hj5 n SER 222 N -2.21 3.58 -0.33 1.62 3.41 -0.35 -4.45 113.62 114.90 3hj5 n SER 222 Ca -0.01 0.00 0.27 0.00 -0.26 0.00 0.00 58.87 58.87 3hj5 n SER 222 Cb 0.03 1.13 0.59 0.00 -0.26 0.00 0.00 64.21 65.70 3hj5 n SER 222 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 3hj5 h GLN 223 N 0.00 0.25 -4.94 4.33 4.20 0.17 -3.29 115.11 115.83 3hj5 h GLN 223 Ca -0.04 -0.01 -0.66 0.00 0.06 0.00 0.00 58.65 58.00 3hj5 h GLN 223 Cb 0.54 -0.06 -0.25 0.00 0.30 0.00 0.00 27.48 28.02 3hj5 h GLN 223 CO 0.00 0.16 -0.66 0.00 -0.67 0.00 0.00 178.83 177.67 3hj5 s ALA 224 N -5.31 3.03 0.00 3.87 0.00 -1.21 -5.09 121.76 117.05 3hj5 s ALA 224 Ca -0.08 -1.20 0.00 0.00 0.00 0.00 0.00 51.96 50.68 3hj5 s ALA 224 Cb 0.25 -1.97 0.00 0.00 0.00 0.00 0.00 23.12 21.39 3hj5 s ALA 224 CO 0.80 -0.55 0.00 0.98 0.00 0.00 0.00 175.76 176.99