#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iie n GLY 119 N 0.00 1.88 0.00 -7.48 0.00 -1.26 -4.77 105.19 93.56 1iie n GLY 119 Ca 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.58 1iie n GLY 119 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1iie n ASN 120 N -1.25 0.00 -2.17 1.61 3.02 -1.26 -4.84 115.26 110.37 1iie n ASN 120 Ca 0.00 0.00 -0.12 0.00 -0.03 0.00 0.00 54.58 54.43 1iie n ASN 120 Cb 0.00 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.15 1iie n ASN 120 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 1iie n MET 121 N 0.00 -2.01 0.00 3.52 2.81 -1.26 -4.70 117.12 115.48 1iie n MET 121 Ca 0.00 0.61 0.00 0.00 -1.81 0.00 0.00 57.70 56.50 1iie n MET 121 Cb 0.00 -5.12 0.00 0.00 -0.71 0.00 0.00 33.22 27.39 1iie n MET 121 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 1iie n THR 122 N -2.98 0.00 -0.10 2.03 -1.04 -1.26 -4.51 114.28 106.41 1iie n THR 122 Ca -0.14 0.00 -0.03 0.00 -2.04 0.00 0.00 64.05 61.85 1iie n THR 122 Cb 0.56 -0.70 0.20 0.00 -1.82 0.00 0.00 70.33 68.56 1iie n THR 122 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 1iie h GLU 123 N 0.00 0.77 0.00 -2.82 5.08 -1.97 1.50 114.58 117.14 1iie h GLU 123 Ca 0.00 -0.17 -0.11 0.00 -1.00 0.00 0.00 59.36 58.08 1iie h GLU 123 Cb 0.80 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.92 1iie h GLU 123 CO 0.00 0.73 -0.52 -0.44 -1.00 0.00 0.00 179.01 177.77 1iie h ASP 124 N 0.74 0.00 1.06 1.42 3.32 -1.97 1.28 116.42 122.26 1iie h ASP 124 Ca 0.16 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 57.10 1iie h ASP 124 Cb 0.33 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.86 1iie h ASP 124 CO 0.00 0.52 -1.00 -0.74 -1.72 0.00 0.00 179.24 176.31 1iie h HIS 125 N 0.00 0.00 0.08 4.55 2.76 -1.51 -2.04 115.15 118.99 1iie h HIS 125 Ca -0.01 0.00 -0.33 0.00 -2.20 0.00 0.00 60.37 57.84 1iie h HIS 125 Cb 1.09 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 30.03 1iie h HIS 125 CO 0.00 0.43 -1.78 0.28 -1.30 0.00 0.00 177.93 175.57 1iie h VAL 126 N 0.00 0.84 -0.38 5.26 2.07 0.23 -2.68 116.25 121.59 1iie h VAL 126 Ca -0.08 -2.58 -0.05 0.00 0.82 0.00 0.00 66.70 64.81 1iie h VAL 126 Cb 1.40 2.55 -0.01 0.00 -1.52 0.00 0.00 31.29 33.71 1iie h VAL 126 CO 0.04 0.75 0.03 -0.03 0.02 0.00 0.00 177.57 178.38 1iie h MET 127 N 0.05 0.64 -0.71 1.57 -1.53 0.16 -1.09 114.93 114.02 1iie h MET 127 Ca -0.33 -0.19 -0.05 0.00 -3.44 0.00 0.00 59.70 55.69 1iie h MET 127 Cb 2.02 -0.07 -0.03 0.00 -0.55 0.00 0.00 31.60 32.98 1iie h MET 127 CO 0.11 0.73 0.23 1.25 0.14 0.00 0.00 176.91 179.36 1iie h HIS 128 N 0.47 1.13 0.00 1.39 2.76 -1.48 1.08 115.15 120.51 1iie h HIS 128 Ca 0.11 -0.10 0.00 0.00 -2.20 0.00 0.00 60.37 58.18 1iie h HIS 128 Cb 0.42 -0.33 0.00 0.00 1.55 0.00 0.00 27.41 29.05 1iie h HIS 128 CO 0.03 0.89 0.00 -0.07 -1.30 0.00 0.00 177.93 177.48 1iie h LEU 129 N 1.05 0.00 0.00 0.26 -0.00 -1.07 -1.22 115.31 114.33 1iie h LEU 129 Ca 0.23 0.00 -0.21 0.00 -0.00 0.00 0.00 57.88 57.90 1iie h LEU 129 Cb 0.29 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 40.91 1iie h LEU 129 CO -0.01 0.00 -2.15 0.18 -0.00 0.00 0.00 178.44 176.46 1iie n LEU 130 N -3.05 0.08 0.00 1.67 4.77 0.21 -3.30 117.00 117.38 1iie n LEU 130 Ca -0.02 0.04 0.14 0.00 -0.03 0.00 0.00 56.01 56.14 1iie n LEU 130 Cb 0.14 0.27 0.64 0.00 -2.33 0.00 0.00 43.42 42.15 1iie n LEU 130 CO 0.22 0.28 0.97 0.00 -1.33 0.00 0.00 177.39 177.52 1iie n GLN 131 N -2.58 0.08 -0.05 3.23 6.02 0.35 -2.52 117.38 121.92 1iie n GLN 131 Ca -0.20 0.00 -0.05 0.00 -0.01 0.00 0.00 57.00 56.75 1iie n GLN 131 Cb 0.91 -1.50 -0.07 0.00 1.02 0.00 0.00 30.24 30.59 1iie n GLN 131 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1iie n ASN 132 N -1.46 2.75 0.10 1.08 5.03 -0.58 -4.52 115.26 117.66 1iie n ASN 132 Ca 0.08 -0.00 -0.04 0.00 0.87 0.00 0.00 54.58 55.49 1iie n ASN 132 Cb 0.32 0.69 0.04 0.00 -1.02 0.00 0.00 39.78 39.81 1iie n ASN 132 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1iie h ALA 133 N 0.44 0.70 -3.20 5.41 0.00 -1.61 -3.43 119.26 117.56 1iie h ALA 133 Ca -0.25 -0.71 -0.29 0.00 0.00 0.00 0.00 54.91 53.65 1iie h ALA 133 Cb 1.56 -0.12 -0.35 0.00 0.00 0.00 0.00 17.79 18.88 1iie h ALA 133 CO 0.01 0.98 -0.65 -0.51 0.00 0.00 0.00 179.25 179.08 1iie s ASP 134 N -6.79 0.52 0.00 0.00 1.11 -1.05 -5.00 116.67 105.46 1iie s ASP 134 Ca -0.00 0.26 0.20 0.00 0.18 0.00 0.00 52.55 53.18 1iie s ASP 134 Cb 0.11 0.16 1.01 0.00 1.07 0.00 0.00 42.92 45.27 1iie s ASP 134 CO 0.79 -0.21 1.62 -0.81 1.18 0.00 0.00 175.17 177.74 1iie n PRO 135 N 4.92 0.29 -0.27 8.23 -0.04 -1.26 -2.61 135.00 144.27 1iie n PRO 135 Ca -0.12 0.10 0.10 0.00 -0.04 0.00 0.00 63.50 63.53 1iie n PRO 135 Cb 0.50 -1.50 0.25 0.00 -0.04 0.00 0.00 33.50 32.71 1iie n PRO 135 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1iie n LEU 136 N -1.27 3.50 -4.68 1.53 4.77 -1.26 -4.94 117.00 114.65 1iie n LEU 136 Ca 0.10 -1.88 -0.42 0.00 -0.03 0.00 0.00 56.01 53.78 1iie n LEU 136 Cb 0.15 -0.36 -0.03 0.00 -2.33 0.00 0.00 43.42 40.86 1iie n LEU 136 CO 0.15 0.85 0.70 -0.54 -1.33 0.00 0.00 177.39 177.22 1iie s LYS 137 N -1.08 4.36 0.10 3.23 -0.14 -1.07 -5.03 119.74 120.11 1iie s LYS 137 Ca 0.38 1.20 0.05 0.00 -1.36 0.00 0.00 55.97 56.24 1iie s LYS 137 Cb 0.21 -3.56 -0.03 0.00 -1.68 0.00 0.00 37.83 32.76 1iie s LYS 137 CO 0.27 -0.32 -0.12 0.08 -0.76 0.00 0.00 175.35 174.50 1iie s VAL 138 N 2.09 1.11 -0.42 3.17 1.01 -1.26 -4.82 120.40 121.28 1iie s VAL 138 Ca 0.43 -1.56 0.03 0.00 0.00 0.00 0.00 61.98 60.88 1iie s VAL 138 Cb -0.17 -1.32 0.16 0.00 0.00 0.00 0.00 36.38 35.05 1iie s VAL 138 CO 0.15 -0.42 0.31 -0.31 0.00 0.00 0.00 175.10 174.83 1iie s TYR 139 N -2.00 1.21 0.59 5.22 2.02 -1.26 -5.10 117.35 118.04 1iie s TYR 139 Ca 0.04 -2.22 -0.19 0.00 -0.37 0.00 0.00 57.07 54.33 1iie s TYR 139 Cb -0.06 -1.09 -0.05 0.00 -0.40 0.00 0.00 41.96 40.37 1iie s TYR 139 CO 0.02 -0.81 1.08 -0.35 -1.57 0.00 0.00 175.55 173.92 1iie n PRO 140 N 3.13 1.07 -1.84 -1.71 -0.04 -1.26 -4.81 135.00 129.54 1iie n PRO 140 Ca 0.23 0.41 -0.38 0.00 -0.04 0.00 0.00 63.50 63.73 1iie n PRO 140 Cb 0.43 -2.28 -0.03 0.00 -0.04 0.00 0.00 33.50 31.59 1iie n PRO 140 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 1iie s PRO 141 N -2.83 2.47 -1.38 0.54 0.04 -1.26 -4.85 135.00 127.74 1iie s PRO 141 Ca 0.76 0.99 -0.10 0.00 0.04 0.00 0.00 61.00 62.68 1iie s PRO 141 Cb -0.42 -4.45 0.10 0.00 0.04 0.00 0.00 34.50 29.76 1iie s PRO 141 CO 0.47 -2.89 2.15 1.28 0.04 0.00 0.00 177.00 178.05 1iie n LEU 142 N 13.82 7.08 0.24 -3.56 4.77 -1.26 -4.66 117.00 133.43 1iie n LEU 142 Ca 0.27 -4.48 0.12 0.00 -0.03 0.00 0.00 56.01 51.89 1iie n LEU 142 Cb 0.53 -1.53 0.53 0.00 -2.33 0.00 0.00 43.42 40.62 1iie n LEU 142 CO 0.71 1.43 0.87 0.11 -1.33 0.00 0.00 177.39 179.18 1iie h LYS 143 N 5.63 0.00 0.00 3.23 1.79 -1.97 -3.44 116.57 121.81 1iie h LYS 143 Ca 0.53 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 59.00 1iie h LYS 143 Cb 0.56 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.21 1iie h LYS 143 CO 1.71 0.15 0.00 0.41 -1.08 0.00 0.00 179.45 180.64 1iie n GLY 144 N 0.11 -2.74 4.00 3.86 0.00 -1.26 -5.00 105.19 104.15 1iie n GLY 144 Ca 0.00 -1.08 -0.19 0.00 0.00 0.00 0.00 46.02 44.74 1iie n GLY 144 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1iie s SER 145 N -1.89 5.31 0.33 1.61 0.01 -1.26 -4.70 113.70 113.11 1iie s SER 145 Ca 0.00 -0.33 0.06 0.00 1.31 0.00 0.00 55.95 57.00 1iie s SER 145 Cb 0.00 -0.54 0.73 0.00 0.21 0.00 0.00 66.02 66.42 1iie s SER 145 CO 0.00 -1.09 1.85 0.15 0.41 0.00 0.00 173.24 174.56 1iie h PHE 146 N 0.25 0.94 0.00 2.43 3.57 -1.94 2.18 116.94 124.37 1iie h PHE 146 Ca -0.39 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.14 1iie h PHE 146 Cb 1.29 -0.30 0.00 0.00 2.79 0.00 0.00 35.95 39.73 1iie h PHE 146 CO 0.33 0.34 0.00 -1.00 -2.23 0.00 0.00 178.31 175.76 1iie h PRO 147 N 0.79 0.00 0.10 6.41 0.13 -1.98 0.15 132.00 137.60 1iie h PRO 147 Ca 0.48 0.00 -0.35 0.00 -0.87 0.00 0.00 66.00 65.26 1iie h PRO 147 Cb 0.67 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.78 1iie h PRO 147 CO -0.24 0.00 -1.92 0.39 -0.23 0.00 0.00 178.00 176.00 1iie n GLU 148 N -2.73 0.73 0.04 0.86 1.02 0.96 -2.47 120.64 119.05 1iie n GLU 148 Ca 0.03 0.30 0.04 0.00 -0.02 0.00 0.00 57.16 57.52 1iie n GLU 148 Cb 0.39 -1.71 0.45 0.00 -0.02 0.00 0.00 31.44 30.56 1iie n GLU 148 CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 1iie h ASN 149 N -0.10 0.40 0.02 1.62 -0.26 0.35 1.40 115.58 119.01 1iie h ASN 149 Ca -0.42 -0.01 -0.04 0.00 -0.56 0.00 0.00 56.30 55.27 1iie h ASN 149 Cb 1.92 -0.10 0.00 0.00 -1.06 0.00 0.00 38.32 39.08 1iie h ASN 149 CO 0.03 0.30 -0.15 -0.07 -1.06 0.00 0.00 177.43 176.48 1iie h LEU 150 N 0.47 0.10 -1.68 1.61 3.38 -0.81 -1.15 115.31 117.22 1iie h LEU 150 Ca 0.12 -0.94 -0.04 0.00 0.09 0.00 0.00 57.88 57.12 1iie h LEU 150 Cb -0.03 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1iie h LEU 150 CO -0.02 1.03 -0.17 0.03 0.09 0.00 0.00 178.44 179.39 1iie h ARG 151 N -0.82 0.00 0.09 1.13 2.47 -1.18 0.18 114.38 116.25 1iie h ARG 151 Ca -0.03 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.69 1iie h ARG 151 Cb 1.07 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.39 1iie h ARG 151 CO 0.03 0.17 -0.04 1.25 0.56 0.00 0.00 179.97 181.94 1iie h HIS 152 N 0.00 -0.11 -0.84 3.04 2.76 0.19 1.22 115.15 121.42 1iie h HIS 152 Ca -0.00 -0.00 0.13 0.00 -2.20 0.00 0.00 60.37 58.30 1iie h HIS 152 Cb 0.45 0.04 -0.06 0.00 1.55 0.00 0.00 27.41 29.38 1iie h HIS 152 CO 0.00 0.43 0.55 -0.07 -1.30 0.00 0.00 177.93 177.53 1iie h LEU 153 N -0.79 0.59 0.17 0.26 3.38 -0.79 2.04 115.31 120.16 1iie h LEU 153 Ca -0.01 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1iie h LEU 153 Cb 0.59 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1iie h LEU 153 CO 0.02 0.31 -0.08 0.50 0.09 0.00 0.00 178.44 179.28 1iie h LYS 154 N 0.63 -0.22 0.00 1.13 3.11 -0.50 1.08 116.57 121.81 1iie h LYS 154 Ca 0.41 0.01 0.00 0.00 -2.81 0.00 0.00 60.65 58.27 1iie h LYS 154 Cb 0.69 0.05 0.00 0.00 -1.00 0.00 0.00 32.23 31.97 1iie h LYS 154 CO -0.17 0.20 0.00 0.09 -2.81 0.00 0.00 179.45 176.76 1iie n ASN 155 N -4.93 0.00 0.01 4.20 3.02 0.42 -4.13 115.26 113.84 1iie n ASN 155 Ca -0.08 0.46 -0.02 0.00 -0.03 0.00 0.00 54.58 54.92 1iie n ASN 155 Cb 0.26 -0.48 -0.01 0.00 -0.61 0.00 0.00 39.78 38.94 1iie n ASN 155 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 1iie n THR 156 N -1.48 1.02 -0.36 3.41 -1.04 0.68 -5.01 114.28 111.51 1iie n THR 156 Ca 0.05 0.29 -0.29 0.00 -2.04 0.00 0.00 64.05 62.06 1iie n THR 156 Cb 0.20 -1.65 0.27 0.00 -1.82 0.00 0.00 70.33 67.32 1iie n THR 156 CO 0.00 0.00 0.00 1.15 -0.64 0.00 0.00 175.07 175.58 1iie n MET 157 N -3.48 -3.76 -1.86 -2.82 0.00 0.37 -4.82 117.12 100.76 1iie n MET 157 Ca -0.03 -1.10 -0.42 0.00 0.00 0.00 0.00 57.70 56.15 1iie n MET 157 Cb 0.11 -1.93 -0.03 0.00 0.00 0.00 0.00 33.22 31.37 1iie n MET 157 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 175.97 174.76 1iie s GLU 158 N -4.59 4.18 0.50 3.17 8.01 -1.26 -4.77 118.70 123.94 1iie s GLU 158 Ca 0.64 2.43 0.32 0.00 0.01 0.00 0.00 54.97 58.37 1iie s GLU 158 Cb -0.16 -3.42 1.43 0.00 -4.31 0.00 0.00 34.13 27.68 1iie s GLU 158 CO 0.58 -0.73 1.79 1.15 0.01 0.00 0.00 175.26 178.06 1iie h THR 159 N 4.45 0.43 0.00 3.63 2.02 -1.88 1.61 112.91 123.18 1iie h THR 159 Ca -0.43 -0.04 -0.17 0.00 0.77 0.00 0.00 66.41 66.54 1iie h THR 159 Cb 1.21 0.31 -0.03 0.00 -1.74 0.00 0.00 68.15 67.90 1iie h THR 159 CO 0.93 0.02 -0.88 -0.29 0.37 0.00 0.00 175.52 175.67 1iie h ILE 160 N 0.11 1.23 0.00 3.11 2.10 -1.95 1.11 117.51 123.21 1iie h ILE 160 Ca 0.58 -2.79 -0.17 0.00 1.08 0.00 0.00 64.86 63.56 1iie h ILE 160 Cb 2.07 2.59 -0.02 0.00 -1.09 0.00 0.00 36.82 40.37 1iie h ILE 160 CO -0.10 0.70 -0.83 0.44 -1.08 0.00 0.00 178.15 177.29 1iie h ASP 161 N 0.00 0.00 0.18 2.19 5.19 0.13 -1.13 116.42 122.97 1iie h ASP 161 Ca -0.04 0.00 -0.21 0.00 -0.62 0.00 0.00 57.03 56.17 1iie h ASP 161 Cb 1.62 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.13 1iie h ASP 161 CO 0.09 0.83 -0.81 -0.25 -3.12 0.00 0.00 179.24 175.98 1iie h TRP 162 N 0.00 0.70 -0.44 4.55 2.91 0.20 0.93 115.95 124.79 1iie h TRP 162 Ca -0.01 -0.33 0.04 0.00 1.13 0.00 0.00 58.89 59.72 1iie h TRP 162 Cb 1.48 -0.10 -0.04 0.00 -0.51 0.00 0.00 29.16 29.99 1iie h TRP 162 CO 0.00 1.13 0.21 0.87 -1.03 0.00 0.00 178.44 179.61 1iie h LYS 163 N 0.33 0.40 -0.28 2.65 1.79 0.17 0.81 116.57 122.44 1iie h LYS 163 Ca -0.05 -0.02 -0.19 0.00 -2.18 0.00 0.00 60.65 58.20 1iie h LYS 163 Cb 1.42 -0.09 0.00 0.00 -1.58 0.00 0.00 32.23 31.98 1iie h LYS 163 CO 0.15 0.27 -0.57 0.28 -1.08 0.00 0.00 179.45 178.49 1iie h VAL 164 N 0.41 1.27 -0.48 0.50 2.07 -1.04 -1.51 116.25 117.47 1iie h VAL 164 Ca 0.20 -1.75 -0.04 0.00 0.82 0.00 0.00 66.70 65.92 1iie h VAL 164 Cb 0.13 1.66 -0.02 0.00 -1.52 0.00 0.00 31.29 31.54 1iie h VAL 164 CO -0.15 0.57 0.14 0.15 0.02 0.00 0.00 177.57 178.30 1iie h PHE 165 N 0.66 0.79 -0.52 1.57 3.57 0.18 0.72 116.94 123.92 1iie h PHE 165 Ca 0.01 -0.08 0.01 0.00 3.53 0.00 0.00 57.97 61.43 1iie h PHE 165 Cb 1.18 -0.23 -0.03 0.00 2.79 0.00 0.00 35.95 39.66 1iie h PHE 165 CO 0.07 0.70 0.34 0.93 -2.23 0.00 0.00 178.31 178.12 1iie h GLU 166 N 0.65 0.68 -0.18 1.11 4.39 0.66 0.85 114.58 122.74 1iie h GLU 166 Ca 0.15 -0.04 -0.04 0.00 0.34 0.00 0.00 59.36 59.77 1iie h GLU 166 Cb 0.29 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 28.78 1iie h GLU 166 CO -0.00 0.45 -0.07 1.03 -1.16 0.00 0.00 179.01 179.25 1iie h SER 167 N 0.70 0.26 -0.26 1.42 0.87 -0.70 0.73 113.55 116.56 1iie h SER 167 Ca 0.19 -0.04 -0.15 0.00 -1.23 0.00 0.00 61.79 60.56 1iie h SER 167 Cb -0.08 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 61.81 1iie h SER 167 CO -0.04 0.37 -0.38 -0.25 -0.53 0.00 0.00 176.83 176.00 1iie h TRP 168 N 0.27 0.95 -0.17 2.24 7.01 0.32 0.35 115.95 126.91 1iie h TRP 168 Ca 0.06 -0.27 -0.18 0.00 2.11 0.00 0.00 58.89 60.60 1iie h TRP 168 Cb 0.31 -0.20 -0.00 0.00 -2.10 0.00 0.00 29.16 27.16 1iie h TRP 168 CO 0.01 1.05 -0.63 0.52 -2.79 0.00 0.00 178.44 176.59 1iie h MET 169 N 0.66 0.62 -0.26 2.65 2.86 0.18 0.42 114.93 122.05 1iie h MET 169 Ca 0.06 -0.43 -0.03 0.00 -2.06 0.00 0.00 59.70 57.24 1iie h MET 169 Cb 0.93 0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.65 1iie h MET 169 CO 0.09 1.05 0.05 1.25 1.06 0.00 0.00 176.91 180.41 1iie h HIS 170 N 0.45 0.44 -0.19 -0.22 -0.00 0.72 0.90 115.15 117.24 1iie h HIS 170 Ca -0.01 -0.06 -0.03 0.00 -0.00 0.00 0.00 60.37 60.27 1iie h HIS 170 Cb 1.21 -0.12 -0.01 0.00 -0.00 0.00 0.00 27.41 28.49 1iie h HIS 170 CO 0.06 0.52 0.01 0.45 -0.00 0.00 0.00 177.93 178.97 1iie h HIS 171 N 0.24 0.36 -1.00 5.26 -0.00 -0.21 0.28 115.15 120.08 1iie h HIS 171 Ca 0.08 -0.06 0.17 0.00 -0.00 0.00 0.00 60.37 60.56 1iie h HIS 171 Cb 0.31 -0.10 -0.10 0.00 -0.00 0.00 0.00 27.41 27.52 1iie h HIS 171 CO 0.02 0.51 0.61 2.35 -0.00 0.00 0.00 177.93 181.42 1iie h TRP 172 N 0.11 1.08 0.44 2.45 7.01 0.10 -0.22 115.95 126.92 1iie h TRP 172 Ca 0.06 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 61.07 1iie h TRP 172 Cb 0.36 -0.33 0.00 0.00 -2.10 0.00 0.00 29.16 27.09 1iie h TRP 172 CO 0.03 0.30 -0.21 1.25 -2.79 0.00 0.00 178.44 177.01 1iie h LEU 173 N 0.83 -0.50 -0.07 0.65 5.85 0.19 -2.48 115.31 119.77 1iie h LEU 173 Ca 0.55 -0.09 0.02 0.00 0.84 0.00 0.00 57.88 59.19 1iie h LEU 173 Cb 0.77 0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.90 1iie h LEU 173 CO -0.35 -0.11 -0.31 -0.07 -0.34 0.00 0.00 178.44 177.26 1iie h LEU 174 N -0.99 -0.98 -0.60 2.25 3.38 0.14 0.14 115.31 118.64 1iie h LEU 174 Ca -0.06 0.12 0.05 0.00 0.09 0.00 0.00 57.88 58.08 1iie h LEU 174 Cb 0.57 0.38 -0.07 0.00 0.09 0.00 0.00 40.66 41.63 1iie h LEU 174 CO 0.10 -0.28 -0.36 0.33 0.09 0.00 0.00 178.44 178.32 1iie n PHE 175 N -4.20 -0.27 -0.32 1.13 -0.00 -0.15 0.16 117.46 113.82 1iie n PHE 175 Ca -0.04 0.75 0.05 0.00 -0.00 0.00 0.00 57.45 58.22 1iie n PHE 175 Cb 0.22 -0.53 0.20 0.00 -0.00 0.00 0.00 39.48 39.37 1iie n PHE 175 CO 0.00 0.00 0.00 1.49 -0.00 0.00 0.00 176.76 178.25 1iie h GLU 176 N 0.00 0.82 0.47 -4.13 4.81 -1.02 1.13 114.58 116.66 1iie h GLU 176 Ca 0.10 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.25 1iie h GLU 176 Cb 0.25 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.45 1iie h GLU 176 CO -0.57 0.54 -0.22 1.98 -0.73 0.00 0.00 179.01 180.01 1iie h MET 177 N 0.84 -0.60 -0.82 1.92 4.05 0.30 -0.46 114.93 120.16 1iie h MET 177 Ca 0.44 0.04 0.12 0.00 -0.28 0.00 0.00 59.70 60.02 1iie h MET 177 Cb 0.45 0.14 -0.08 0.00 -0.80 0.00 0.00 31.60 31.30 1iie h MET 177 CO -0.27 -0.30 0.44 0.66 0.23 0.00 0.00 176.91 177.66 1iie h SER 178 N -1.01 0.57 -0.20 1.39 4.64 0.20 0.99 113.55 120.14 1iie h SER 178 Ca -0.06 0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1iie h SER 178 Cb 0.58 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 1iie h SER 178 CO 0.10 0.29 0.00 -2.11 -0.87 0.00 0.00 176.83 174.25 1iie n ARG 179 N -4.82 1.67 -1.42 4.77 -4.01 0.39 -4.38 116.66 108.86 1iie n ARG 179 Ca 0.15 -0.79 -0.25 0.00 -1.04 0.00 0.00 57.85 55.91 1iie n ARG 179 Cb 0.35 -1.33 -0.08 0.00 -3.04 0.00 0.00 32.46 28.36 1iie n ARG 179 CO 0.00 0.00 0.00 1.58 -3.04 0.00 0.00 177.63 176.17 1iie n HIS 180 N 0.13 1.33 0.26 2.89 -0.00 0.34 -4.63 115.22 115.54 1iie n HIS 180 Ca 0.07 -1.95 0.17 0.00 0.46 0.00 0.00 57.72 56.47 1iie n HIS 180 Cb 0.28 -1.51 0.80 0.00 -0.12 0.00 0.00 29.99 29.45 1iie n HIS 180 CO 0.00 0.00 0.00 0.66 0.46 0.00 0.00 176.34 177.46 1iie h SER 181 N 3.21 0.00 0.68 0.26 4.64 -1.82 -2.54 113.55 117.98 1iie h SER 181 Ca 0.39 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.67 1iie h SER 181 Cb 0.86 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.95 1iie h SER 181 CO 0.80 0.00 -0.33 -0.07 -0.87 0.00 0.00 176.83 176.37 1iie h LEU 182 N 0.00 -0.77 -8.55 5.97 3.38 -1.97 -3.38 115.31 109.98 1iie h LEU 182 Ca 0.06 0.03 -0.50 0.00 0.09 0.00 0.00 57.88 57.56 1iie h LEU 182 Cb 0.77 0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.69 1iie h LEU 182 CO -0.00 -0.50 1.39 -1.61 0.09 0.00 0.00 178.44 177.81 1iie s GLU 183 N -4.78 2.63 -0.11 1.13 2.02 -0.96 -4.92 118.70 113.71 1iie s GLU 183 Ca -0.13 0.83 -0.02 0.00 0.02 0.00 0.00 54.97 55.67 1iie s GLU 183 Cb 0.01 -4.40 0.04 0.00 0.10 0.00 0.00 34.13 29.89 1iie s GLU 183 CO 0.40 -2.71 0.03 -1.14 0.02 0.00 0.00 175.26 171.86 1iie s GLN 184 N 7.07 0.39 0.35 1.61 0.74 -1.26 -5.00 119.66 123.56 1iie s GLN 184 Ca 0.73 0.02 -0.27 0.00 0.05 0.00 0.00 55.36 55.89 1iie s GLN 184 Cb -0.14 -1.26 -0.09 0.00 1.10 0.00 0.00 33.01 32.62 1iie s GLN 184 CO 0.23 -0.44 1.21 0.21 -0.55 0.00 0.00 175.29 175.95 1iie s LYS 185 N 2.02 4.27 1.13 1.67 2.20 -1.26 -5.02 119.74 124.75 1iie s LYS 185 Ca 0.03 1.97 -0.18 0.00 -0.36 0.00 0.00 55.97 57.43 1iie s LYS 185 Cb -0.14 -2.92 0.26 0.00 -1.51 0.00 0.00 37.83 33.52 1iie s LYS 185 CO -0.06 -0.17 1.16 -1.25 -0.36 0.00 0.00 175.35 174.67 1iie s PRO 186 N -1.95 -0.67 0.00 4.03 0.04 -1.26 -5.08 135.00 130.11 1iie s PRO 186 Ca 0.52 -0.14 0.00 0.00 0.04 0.00 0.00 61.00 61.42 1iie s PRO 186 Cb -0.34 -1.67 0.00 0.00 0.04 0.00 0.00 34.50 32.53 1iie s PRO 186 CO 0.44 -3.33 0.00 2.41 0.04 0.00 0.00 177.00 176.56 1iie n THR 187 N -4.48 0.00 -3.60 1.26 -1.04 -1.26 -5.12 114.28 100.05 1iie n THR 187 Ca 0.13 0.00 -0.40 0.00 -2.04 0.00 0.00 64.05 61.74 1iie n THR 187 Cb 0.59 0.00 -0.10 0.00 -1.82 0.00 0.00 70.33 69.00 1iie n THR 187 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1iie s ASP 188 N 1.55 5.67 -0.02 8.00 -1.08 -1.26 -4.96 116.67 124.57 1iie s ASP 188 Ca 0.00 -1.35 -0.23 0.00 -0.52 0.00 0.00 52.55 50.45 1iie s ASP 188 Cb 0.00 -2.00 -0.16 0.00 -1.46 0.00 0.00 42.92 39.30 1iie s ASP 188 CO 0.00 -0.50 1.08 0.00 0.52 0.00 0.00 175.17 176.28 1iie h ALA 189 N 8.43 -0.34 -2.40 3.66 0.00 -2.00 -3.45 119.26 123.17 1iie h ALA 189 Ca -0.24 -0.20 -0.49 0.00 0.00 0.00 0.00 54.91 53.98 1iie h ALA 189 Cb 1.09 0.13 0.11 0.00 0.00 0.00 0.00 17.79 19.12 1iie h ALA 189 CO 0.73 -0.46 0.35 -1.25 0.00 0.00 0.00 179.25 178.63 1iie s PRO 190 N -4.15 2.31 -0.03 0.00 0.04 -1.26 -5.00 135.00 126.91 1iie s PRO 190 Ca -0.13 0.71 -0.22 0.00 0.04 0.00 0.00 61.00 61.39 1iie s PRO 190 Cb 0.01 -1.94 -0.24 0.00 0.04 0.00 0.00 34.50 32.37 1iie s PRO 190 CO 0.51 -1.48 1.04 -1.00 0.04 0.00 0.00 177.00 176.11 1iie h PRO 191 N -0.99 0.27 -0.02 0.56 0.13 -2.05 -3.54 132.00 126.36 1iie h PRO 191 Ca -0.46 -0.31 0.00 0.00 -0.87 0.00 0.00 66.00 64.36 1iie h PRO 191 Cb 1.25 0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.47 1iie h PRO 191 CO 0.59 1.02 0.00 1.63 -0.23 0.00 0.00 178.00 181.01