#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i3j s PHE 150 N 0.00 2.35 0.63 5.64 0.40 -1.26 -0.60 117.98 125.14 1i3j s PHE 150 Ca 0.00 -0.41 -0.11 0.00 -0.60 0.00 0.00 56.93 55.81 1i3j s PHE 150 Cb 0.00 -1.46 -0.03 0.00 0.51 0.00 0.00 43.02 42.04 1i3j s PHE 150 CO 0.00 0.05 1.03 0.00 0.70 0.00 0.00 175.22 177.01 1i3j h LYS 152 N -0.35 0.19 0.00 0.00 3.64 -1.89 0.78 116.57 118.94 1i3j h LYS 152 Ca -0.44 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.93 1i3j h LYS 152 Cb 1.19 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.97 1i3j h LYS 152 CO 0.61 0.12 0.00 0.00 -2.27 0.00 0.00 179.45 177.91 1i3j n GLY 154 N 0.34 1.99 3.84 0.00 0.00 0.27 -5.12 105.19 106.50 1i3j n GLY 154 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 1i3j n GLY 154 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1i3j s VAL 155 N -1.92 3.39 0.37 1.61 -7.23 -1.26 -4.69 120.40 110.67 1i3j s VAL 155 Ca 0.00 0.45 -0.21 0.00 -1.81 0.00 0.00 61.98 60.41 1i3j s VAL 155 Cb 0.00 -3.30 -0.10 0.00 0.56 0.00 0.00 36.38 33.54 1i3j s VAL 155 CO 0.00 -0.59 0.89 -0.13 -0.31 0.00 0.00 175.10 174.96 1i3j s ARG 156 N -5.22 4.27 0.10 4.82 0.52 -1.26 -0.47 118.95 121.70 1i3j s ARG 156 Ca 0.59 1.06 -0.07 0.00 -0.52 0.00 0.00 55.73 56.80 1i3j s ARG 156 Cb -0.13 -2.42 -0.01 0.00 0.52 0.00 0.00 34.95 32.91 1i3j s ARG 156 CO 0.53 0.11 0.16 0.96 0.02 0.00 0.00 175.30 177.08 1i3j s ILE 157 N -1.97 0.14 0.64 1.52 -4.36 0.23 -4.82 121.20 112.59 1i3j s ILE 157 Ca 0.56 -1.39 -0.17 0.00 -0.26 0.00 0.00 60.65 59.40 1i3j s ILE 157 Cb -0.12 -1.52 -0.01 0.00 1.25 0.00 0.00 42.46 42.07 1i3j s ILE 157 CO 0.17 -0.64 1.19 -1.10 0.24 0.00 0.00 174.94 174.80 1i3j s GLN 158 N -3.91 2.70 0.40 0.37 -0.21 -1.26 -3.54 119.66 114.21 1i3j s GLN 158 Ca 0.09 1.72 0.28 0.00 0.02 0.00 0.00 55.36 57.48 1i3j s GLN 158 Cb 0.05 -1.91 1.38 0.00 1.00 0.00 0.00 33.01 33.53 1i3j s GLN 158 CO -0.08 -1.39 1.86 1.79 -2.12 0.00 0.00 175.29 175.34 1i3j h THR 159 N 0.39 0.00 0.00 -0.19 1.35 -2.01 -1.59 112.91 110.86 1i3j h THR 159 Ca -0.49 -0.15 0.00 0.00 -0.55 0.00 0.00 66.41 65.22 1i3j h THR 159 Cb 1.29 0.89 0.00 0.00 -1.73 0.00 0.00 68.15 68.59 1i3j h THR 159 CO 0.53 0.00 -0.26 -1.54 -0.25 0.00 0.00 175.52 174.00 1i3j n SER 160 N -2.53 0.39 -4.91 5.36 3.41 -1.26 -4.87 113.62 109.21 1i3j n SER 160 Ca -0.00 0.21 -0.29 0.00 -0.26 0.00 0.00 58.87 58.53 1i3j n SER 160 Cb 0.14 -0.19 -0.03 0.00 -0.26 0.00 0.00 64.21 63.87 1i3j n SER 160 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1i3j s ALA 161 N -3.04 3.68 -0.13 7.33 0.00 -0.60 -5.01 121.76 123.99 1i3j s ALA 161 Ca 0.11 -0.60 0.17 0.00 0.00 0.00 0.00 51.96 51.64 1i3j s ALA 161 Cb 0.17 -2.22 -0.22 0.00 0.00 0.00 0.00 23.12 20.84 1i3j s ALA 161 CO 0.63 0.34 0.46 0.66 0.00 0.00 0.00 175.76 177.84 1i3j n TYR 162 N -0.73 0.46 -3.91 0.00 4.02 -1.26 -4.89 117.16 110.86 1i3j n TYR 162 Ca -0.02 0.16 -0.10 0.00 -0.01 0.00 0.00 57.90 57.93 1i3j n TYR 162 Cb 0.54 -0.98 -0.01 0.00 -0.02 0.00 0.00 39.34 38.86 1i3j n TYR 162 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 1i3j s THR 163 N -2.79 0.00 0.75 -0.72 -4.23 -1.26 -4.82 115.64 102.58 1i3j s THR 163 Ca -0.07 -1.19 -0.12 0.00 -1.18 0.00 0.00 61.69 59.14 1i3j s THR 163 Cb 0.08 -2.59 0.05 0.00 1.34 0.00 0.00 72.50 71.37 1i3j s THR 163 CO 0.84 0.00 1.13 0.00 -0.54 0.00 0.00 174.62 176.05 1i3j h SER 165 N -0.84 1.11 -0.47 0.00 0.87 -1.98 -2.72 113.55 109.51 1i3j h SER 165 Ca -0.45 -0.01 -0.07 0.00 -1.23 0.00 0.00 61.79 60.02 1i3j h SER 165 Cb 1.29 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 62.97 1i3j h SER 165 CO 0.65 0.77 0.05 0.50 -0.53 0.00 0.00 176.83 178.27 1i3j h LYS 166 N 1.29 0.87 -0.00 2.24 1.63 -2.05 -3.10 116.57 117.44 1i3j h LYS 166 Ca 0.39 -0.22 0.00 0.00 -0.85 0.00 0.00 60.65 59.97 1i3j h LYS 166 Cb -0.03 -0.11 0.00 0.00 -0.60 0.00 0.00 32.23 31.49 1i3j h LYS 166 CO -0.11 0.83 -0.10 0.00 -3.45 0.00 0.00 179.45 176.62 1i3j s ARG 168 N -2.56 4.18 -0.20 0.00 3.52 -1.09 -4.91 118.95 117.90 1i3j s ARG 168 Ca 0.27 2.46 -0.23 0.00 -0.13 0.00 0.00 55.73 58.10 1i3j s ARG 168 Cb 0.20 -3.08 -0.02 0.00 -1.56 0.00 0.00 34.95 30.49 1i3j s ARG 168 CO 0.49 -0.58 0.72 1.21 -0.81 0.00 0.00 175.30 176.33 1i3j s ASN 169 N 0.68 6.78 -0.01 -2.12 3.84 -1.26 -4.90 114.94 117.95 1i3j s ASN 169 Ca 0.65 0.95 0.02 0.00 0.21 0.00 0.00 52.86 54.69 1i3j s ASN 169 Cb -0.46 -2.39 0.03 0.00 -0.55 0.00 0.00 41.25 37.88 1i3j s ASN 169 CO 0.41 -0.36 0.82 0.54 -2.79 0.00 0.00 177.10 175.73 1i3j n ARG 170 N 5.32 1.39 -3.46 0.43 1.74 -1.26 -4.60 116.66 116.22 1i3j n ARG 170 Ca 0.02 -1.18 -0.28 0.00 -0.77 0.00 0.00 57.85 55.63 1i3j n ARG 170 Cb 0.49 -0.81 -0.03 0.00 -1.02 0.00 0.00 32.46 31.08 1i3j n ARG 170 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1i3j s SER 171 N -0.81 6.44 0.71 0.55 1.04 -1.26 -3.23 113.70 117.13 1i3j s SER 171 Ca 0.03 0.62 0.00 0.00 0.48 0.00 0.00 55.95 57.09 1i3j s SER 171 Cb 0.03 -2.10 0.00 0.00 0.10 0.00 0.00 66.02 64.04 1i3j s SER 171 CO 0.00 -0.14 0.00 0.61 0.98 0.00 0.00 173.24 174.70 1i3j n GLY 172 N -0.78 2.67 0.09 7.32 0.00 -1.26 -1.36 105.19 111.88 1i3j n GLY 172 Ca -0.03 -0.12 0.06 0.00 0.00 0.00 0.00 46.02 45.93 1i3j n GLY 172 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1i3j n GLU 173 N 14.00 0.08 0.00 1.61 0.28 -1.26 -1.81 120.64 133.53 1i3j n GLU 173 Ca 0.00 0.57 0.12 0.00 -0.16 0.00 0.00 57.16 57.69 1i3j n GLU 173 Cb 0.00 -1.77 0.33 0.00 1.43 0.00 0.00 31.44 31.43 1i3j n GLU 173 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1i3j n ASN 174 N -1.91 0.47 -4.76 -1.84 3.02 -0.46 -4.90 115.26 104.88 1i3j n ASN 174 Ca -0.01 -0.21 -0.37 0.00 -0.03 0.00 0.00 54.58 53.97 1i3j n ASN 174 Cb 0.04 0.12 0.02 0.00 -0.61 0.00 0.00 39.78 39.35 1i3j n ASN 174 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1i3j s ASN 175 N -2.93 5.58 0.40 6.41 2.47 -0.75 -4.55 114.94 121.57 1i3j s ASN 175 Ca 0.13 2.42 0.28 0.00 0.42 0.00 0.00 52.86 56.12 1i3j s ASN 175 Cb 0.18 -2.61 1.17 0.00 -1.45 0.00 0.00 41.25 38.54 1i3j s ASN 175 CO 0.65 -1.33 1.84 0.77 -3.72 0.00 0.00 177.10 175.32 1i3j h SER 176 N 1.42 0.00 -0.19 -4.21 4.64 -1.91 -2.79 113.55 110.51 1i3j h SER 176 Ca -0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 1i3j h SER 176 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 1i3j h SER 176 CO 0.57 0.00 0.00 0.33 -0.87 0.00 0.00 176.83 176.86 1i3j n PHE 177 N -2.64 0.26 -1.70 4.77 7.35 -1.26 -5.00 117.46 119.23 1i3j n PHE 177 Ca 0.01 -0.37 -0.44 0.00 -0.76 0.00 0.00 57.45 55.90 1i3j n PHE 177 Cb 0.27 -0.02 -0.02 0.00 0.35 0.00 0.00 39.48 40.05 1i3j n PHE 177 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 1i3j n PHE 178 N 0.31 2.47 -1.34 -5.13 7.35 -1.05 -1.94 117.46 118.13 1i3j n PHE 178 Ca 0.08 0.31 -0.12 0.00 -0.76 0.00 0.00 57.45 56.96 1i3j n PHE 178 Cb 0.34 -2.54 -0.05 0.00 0.35 0.00 0.00 39.48 37.58 1i3j n PHE 178 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 1i3j n ASN 179 N 2.49 -5.25 -4.96 -2.13 5.03 -1.26 -5.00 115.26 104.18 1i3j n ASN 179 Ca 0.12 0.29 -0.23 0.00 0.87 0.00 0.00 54.58 55.63 1i3j n ASN 179 Cb 0.33 -3.77 0.01 0.00 -1.02 0.00 0.00 39.78 35.33 1i3j n ASN 179 CO 0.00 0.00 0.00 -1.00 -1.83 0.00 0.00 177.26 174.43 1i3j s HIS 180 N -2.15 3.17 0.01 3.10 3.76 -0.82 -5.11 115.29 117.25 1i3j s HIS 180 Ca 0.00 0.19 0.06 0.00 -0.15 0.00 0.00 55.06 55.16 1i3j s HIS 180 Cb 0.00 -2.36 -0.02 0.00 1.11 0.00 0.00 32.58 31.31 1i3j s HIS 180 CO 0.00 -0.42 -0.19 0.15 -0.85 0.00 0.00 174.74 173.43 1i3j s LYS 181 N -4.57 1.45 0.23 1.40 -0.14 -1.26 -5.13 119.74 111.72 1i3j s LYS 181 Ca 0.49 -0.78 -0.23 0.00 -1.36 0.00 0.00 55.97 54.09 1i3j s LYS 181 Cb -0.10 -1.46 -0.09 0.00 -1.68 0.00 0.00 37.83 34.50 1i3j s LYS 181 CO 0.38 0.39 0.80 -1.01 -0.76 0.00 0.00 175.35 175.15 1i3j s HIS 182 N -0.60 3.75 0.89 3.18 3.76 -1.26 -5.05 115.29 119.96 1i3j s HIS 182 Ca 0.07 1.58 -0.12 0.00 -0.15 0.00 0.00 55.06 56.45 1i3j s HIS 182 Cb -0.08 -2.75 0.12 0.00 1.11 0.00 0.00 32.58 30.98 1i3j s HIS 182 CO 0.00 0.37 1.09 -1.54 -0.85 0.00 0.00 174.74 173.81 1i3j s SER 183 N -1.47 3.55 0.43 1.40 1.04 -1.26 -4.84 113.70 112.55 1i3j s SER 183 Ca 0.42 1.44 0.12 0.00 0.48 0.00 0.00 55.95 58.41 1i3j s SER 183 Cb -0.19 -2.12 0.93 0.00 0.10 0.00 0.00 66.02 64.73 1i3j s SER 183 CO 0.24 -2.58 1.99 0.44 0.98 0.00 0.00 173.24 174.30 1i3j h ASP 184 N -1.51 0.15 -0.54 7.02 3.32 -1.99 -2.12 116.42 120.74 1i3j h ASP 184 Ca -0.49 -0.02 -0.06 0.00 0.02 0.00 0.00 57.03 56.48 1i3j h ASP 184 Cb 1.29 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 40.77 1i3j h ASP 184 CO 0.55 0.26 0.12 0.40 -1.72 0.00 0.00 179.24 178.86 1i3j h ILE 185 N 0.16 1.25 -0.29 0.35 2.04 -2.00 -2.03 117.51 116.99 1i3j h ILE 185 Ca 0.04 -0.90 -0.05 0.00 1.00 0.00 0.00 64.86 64.95 1i3j h ILE 185 Cb 0.26 0.79 -0.01 0.00 -0.74 0.00 0.00 36.82 37.11 1i3j h ILE 185 CO 0.01 0.33 -0.02 0.74 0.00 0.00 0.00 178.15 179.21 1i3j h THR 186 N 0.77 1.27 -0.60 -0.27 2.02 -1.79 -2.17 112.91 112.14 1i3j h THR 186 Ca 0.17 -0.99 0.08 0.00 0.77 0.00 0.00 66.41 66.43 1i3j h THR 186 Cb 0.36 1.34 -0.04 0.00 -1.74 0.00 0.00 68.15 68.08 1i3j h THR 186 CO 0.00 0.32 0.40 0.11 0.37 0.00 0.00 175.52 176.72 1i3j h LYS 187 N 0.30 0.50 -0.18 6.66 1.57 -1.28 -1.00 116.57 123.14 1i3j h LYS 187 Ca 0.08 -0.03 -0.20 0.00 -1.87 0.00 0.00 60.65 58.63 1i3j h LYS 187 Cb 0.47 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.67 1i3j h LYS 187 CO 0.02 0.33 -0.68 0.77 -0.57 0.00 0.00 179.45 179.32 1i3j h SER 188 N 0.51 0.83 -0.60 0.86 0.02 -1.08 -0.71 113.55 113.38 1i3j h SER 188 Ca 0.27 -0.51 -0.05 0.00 -0.84 0.00 0.00 61.79 60.66 1i3j h SER 188 Cb 0.39 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.66 1i3j h SER 188 CO -0.08 1.28 0.19 0.11 -1.14 0.00 0.00 176.83 177.20 1i3j h LYS 189 N 0.51 0.97 -0.38 3.45 1.57 -0.59 -1.67 116.57 120.43 1i3j h LYS 189 Ca -0.02 -0.19 -0.14 0.00 -1.87 0.00 0.00 60.65 58.42 1i3j h LYS 189 Cb 1.29 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 33.44 1i3j h LYS 189 CO 0.14 0.83 -0.32 0.82 -0.57 0.00 0.00 179.45 180.36 1i3j h ILE 190 N 0.93 1.28 -0.77 1.86 2.04 -1.12 -2.97 117.51 118.77 1i3j h ILE 190 Ca 0.21 -1.48 0.03 0.00 1.00 0.00 0.00 64.86 64.62 1i3j h ILE 190 Cb 0.28 1.38 -0.05 0.00 -0.74 0.00 0.00 36.82 37.69 1i3j h ILE 190 CO -0.01 0.49 0.48 -1.28 0.00 0.00 0.00 178.15 177.84 1i3j h SER 191 N 0.69 0.79 -0.20 1.72 0.87 -0.65 -2.17 113.55 114.60 1i3j h SER 191 Ca 0.07 0.00 -0.18 0.00 -1.23 0.00 0.00 61.79 60.45 1i3j h SER 191 Cb 0.90 -0.17 -0.00 0.00 -0.44 0.00 0.00 62.40 62.69 1i3j h SER 191 CO 0.08 0.54 -0.53 -0.33 -0.53 0.00 0.00 176.83 176.06 1i3j h GLU 192 N 0.94 0.79 0.00 2.24 4.39 -1.31 -1.98 114.58 119.65 1i3j h GLU 192 Ca 0.31 -0.49 -0.01 0.00 0.34 0.00 0.00 59.36 59.51 1i3j h GLU 192 Cb 0.03 0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 28.74 1i3j h GLU 192 CO -0.12 1.12 -0.03 0.87 -1.16 0.00 0.00 179.01 179.70 1i3j h LYS 193 N 0.61 0.00 0.00 2.33 1.57 -1.36 -3.18 116.57 116.54 1i3j h LYS 193 Ca 0.02 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.68 1i3j h LYS 193 Cb 1.12 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.41 1i3j h LYS 193 CO 0.11 0.03 -1.57 -1.33 -0.57 0.00 0.00 179.45 176.12 1i3j n MET 194 N -3.12 0.63 -1.65 3.15 2.81 -0.83 -4.86 117.12 113.26 1i3j n MET 194 Ca 0.01 0.07 -0.48 0.00 -1.81 0.00 0.00 57.70 55.50 1i3j n MET 194 Cb 0.38 -1.71 -0.05 0.00 -0.71 0.00 0.00 33.22 31.13 1i3j n MET 194 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1i3j n LYS 195 N -2.68 1.88 -0.61 0.03 5.02 -0.75 -1.15 118.16 119.90 1i3j n LYS 195 Ca -0.09 0.68 0.00 0.00 -2.02 0.00 0.00 58.31 56.88 1i3j n LYS 195 Cb 0.75 -2.42 0.00 0.00 -0.02 0.00 0.00 35.03 33.34 1i3j n LYS 195 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1i3j n GLY 196 N 3.22 1.06 3.72 0.72 0.00 -1.26 -5.03 105.19 107.62 1i3j n GLY 196 Ca 0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 1i3j n GLY 196 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1i3j s LYS 197 N -0.28 4.36 0.07 1.61 1.02 -0.30 -5.06 119.74 121.15 1i3j s LYS 197 Ca 0.00 0.56 -0.14 0.00 0.02 0.00 0.00 55.97 56.41 1i3j s LYS 197 Cb 0.00 -3.43 -0.06 0.00 -0.52 0.00 0.00 37.83 33.81 1i3j s LYS 197 CO 0.00 0.15 0.46 0.15 -0.92 0.00 0.00 175.35 175.18 1i3j s LYS 198 N 0.63 3.91 0.79 1.68 1.02 -1.26 -5.08 119.74 121.43 1i3j s LYS 198 Ca 0.29 0.39 -0.12 0.00 0.02 0.00 0.00 55.97 56.55 1i3j s LYS 198 Cb -0.16 -3.08 0.07 0.00 -0.52 0.00 0.00 37.83 34.14 1i3j s LYS 198 CO 0.12 0.59 1.16 -1.25 -0.92 0.00 0.00 175.35 175.05 1i3j s PRO 199 N -1.55 2.14 0.21 -1.68 0.04 -1.26 -4.97 135.00 127.92 1i3j s PRO 199 Ca 0.31 0.15 0.23 0.00 0.04 0.00 0.00 61.00 61.73 1i3j s PRO 199 Cb -0.16 -1.98 0.91 0.00 0.04 0.00 0.00 34.50 33.32 1i3j s PRO 199 CO 0.17 -1.48 1.70 -1.13 0.04 0.00 0.00 177.00 176.30 1i3j n SER 200 N -3.24 0.58 -1.51 6.66 3.41 -1.26 -3.36 113.62 114.90 1i3j n SER 200 Ca 0.08 0.62 -0.01 0.00 -0.26 0.00 0.00 58.87 59.30 1i3j n SER 200 Cb 0.60 -0.75 0.22 0.00 -0.26 0.00 0.00 64.21 64.02 1i3j n SER 200 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1i3j n ASN 201 N -2.12 3.90 -4.81 4.04 6.94 -1.26 -4.95 115.26 117.01 1i3j n ASN 201 Ca 0.03 -2.73 -0.33 0.00 -0.02 0.00 0.00 54.58 51.54 1i3j n ASN 201 Cb 0.26 -0.65 -0.01 0.00 -2.36 0.00 0.00 39.78 37.02 1i3j n ASN 201 CO 0.00 0.00 0.00 0.27 -1.03 0.00 0.00 177.26 176.50 1i3j s ILE 202 N -2.13 3.93 -0.18 1.53 -4.36 -1.21 -5.05 121.20 113.73 1i3j s ILE 202 Ca 0.36 1.02 0.01 0.00 -0.26 0.00 0.00 60.65 61.78 1i3j s ILE 202 Cb 0.28 -3.46 0.02 0.00 1.25 0.00 0.00 42.46 40.55 1i3j s ILE 202 CO 0.09 -0.44 -0.19 -0.54 0.24 0.00 0.00 174.94 174.10 1i3j s LYS 203 N -3.76 2.89 0.46 0.37 1.02 -1.26 -5.02 119.74 114.44 1i3j s LYS 203 Ca 0.64 -0.80 -0.24 0.00 0.02 0.00 0.00 55.97 55.59 1i3j s LYS 203 Cb -0.15 -2.51 -0.07 0.00 -0.52 0.00 0.00 37.83 34.57 1i3j s LYS 203 CO 0.29 -0.22 1.33 0.15 -0.92 0.00 0.00 175.35 175.98 1i3j s LYS 204 N 1.31 3.65 0.02 1.68 1.02 -1.21 -3.26 119.74 122.95 1i3j s LYS 204 Ca 0.05 2.19 0.00 0.00 0.02 0.00 0.00 55.97 58.23 1i3j s LYS 204 Cb -0.13 -2.55 -0.02 0.00 -0.52 0.00 0.00 37.83 34.61 1i3j s LYS 204 CO -0.13 -0.76 -0.03 -1.50 -0.92 0.00 0.00 175.35 172.01 1i3j s ILE 205 N -1.30 0.12 -0.22 2.17 2.07 -0.78 -1.53 121.20 121.74 1i3j s ILE 205 Ca 0.63 -0.80 -0.01 0.00 -1.41 0.00 0.00 60.65 59.05 1i3j s ILE 205 Cb -0.39 -0.24 0.02 0.00 0.13 0.00 0.00 42.46 41.97 1i3j s ILE 205 CO 0.48 -0.43 -0.10 -0.55 -1.91 0.00 0.00 174.94 172.43 1i3j s SER 206 N -1.28 3.95 -1.02 4.50 0.15 -0.26 -1.00 113.70 118.74 1i3j s SER 206 Ca -0.14 -0.70 -0.13 0.00 0.70 0.00 0.00 55.95 55.68 1i3j s SER 206 Cb -0.09 -1.62 0.21 0.00 -1.71 0.00 0.00 66.02 62.81 1i3j s SER 206 CO -0.01 -0.06 1.09 0.00 1.20 0.00 0.00 173.24 175.46 1i3j n ASP 208 N 4.36 -3.63 0.00 0.00 4.64 0.14 -1.73 116.55 120.33 1i3j n ASP 208 Ca 0.24 -0.68 0.00 0.00 -1.38 0.00 0.00 54.79 52.96 1i3j n ASP 208 Cb 0.44 -2.98 0.00 0.00 -1.04 0.00 0.00 41.12 37.54 1i3j n ASP 208 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1i3j n GLY 209 N -1.31 0.61 3.56 0.27 0.00 -1.26 -5.06 105.19 102.01 1i3j n GLY 209 Ca 0.03 -0.01 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 1i3j n GLY 209 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1i3j s VAL 210 N -1.14 5.00 0.16 1.61 1.01 -0.71 -5.05 120.40 121.29 1i3j s VAL 210 Ca 0.00 0.37 -0.02 0.00 0.00 0.00 0.00 61.98 62.33 1i3j s VAL 210 Cb 0.00 -3.98 -0.05 0.00 0.00 0.00 0.00 36.38 32.36 1i3j s VAL 210 CO 0.00 -0.23 0.36 0.27 0.00 0.00 0.00 175.10 175.50 1i3j s ILE 211 N 2.43 5.22 0.04 2.22 -4.36 -1.26 -0.05 121.20 125.44 1i3j s ILE 211 Ca 0.19 -0.22 0.01 0.00 -0.26 0.00 0.00 60.65 60.37 1i3j s ILE 211 Cb -0.15 -3.68 -0.03 0.00 1.25 0.00 0.00 42.46 39.85 1i3j s ILE 211 CO 0.13 -0.05 -0.05 -0.36 0.24 0.00 0.00 174.94 174.85 1i3j s PHE 212 N -1.74 0.50 0.23 1.37 0.40 -0.17 -4.99 117.98 113.58 1i3j s PHE 212 Ca 0.39 -0.62 0.25 0.00 -0.60 0.00 0.00 56.93 56.35 1i3j s PHE 212 Cb -0.12 -0.32 1.12 0.00 0.51 0.00 0.00 43.02 44.21 1i3j s PHE 212 CO 0.27 -0.17 1.91 -0.44 0.70 0.00 0.00 175.22 177.49 1i3j h ASP 213 N 4.24 0.00 -5.04 1.36 3.32 -1.89 -2.06 116.42 116.36 1i3j h ASP 213 Ca -0.34 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.70 1i3j h ASP 213 Cb 1.19 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 40.64 1i3j h ASP 213 CO 0.46 0.19 0.12 0.00 -1.72 0.00 0.00 179.24 178.29 1i3j h ALA 215 N 2.11 1.49 -0.48 0.00 0.00 -1.88 -2.54 119.26 117.97 1i3j h ALA 215 Ca -0.30 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.39 1i3j h ALA 215 Cb 1.28 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 1i3j h ALA 215 CO 0.37 0.37 0.03 0.00 0.00 0.00 0.00 179.25 180.02 1i3j h ALA 216 N 1.60 1.16 -0.60 0.00 0.00 -1.96 0.11 119.26 119.57 1i3j h ALA 216 Ca 0.11 -0.24 -0.10 0.00 0.00 0.00 0.00 54.91 54.68 1i3j h ALA 216 Cb 0.22 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1i3j h ALA 216 CO 0.00 0.55 -0.01 -0.44 0.00 0.00 0.00 179.25 179.34 1i3j h ASP 217 N 0.73 1.05 -0.67 0.00 3.32 -1.87 0.08 116.42 119.05 1i3j h ASP 217 Ca 0.15 -0.30 -0.04 0.00 0.02 0.00 0.00 57.03 56.85 1i3j h ASP 217 Cb 0.40 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.64 1i3j h ASP 217 CO 0.01 1.10 0.25 0.00 -1.72 0.00 0.00 179.24 178.89 1i3j h ALA 218 N 1.00 0.88 -0.37 3.45 0.00 -1.16 -0.39 119.26 122.67 1i3j h ALA 218 Ca 0.17 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1i3j h ALA 218 Cb 0.58 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1i3j h ALA 218 CO 0.03 0.51 0.24 0.00 0.00 0.00 0.00 179.25 180.03 1i3j h ALA 219 N 1.11 0.47 -0.16 0.00 0.00 -0.39 -1.41 119.26 118.87 1i3j h ALA 219 Ca 0.22 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.04 1i3j h ALA 219 Cb 0.24 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1i3j h ALA 219 CO -0.01 -0.06 -0.15 0.00 0.00 0.00 0.00 179.25 179.03 1i3j h ARG 220 N 0.49 0.26 -0.04 0.00 3.08 -0.61 0.21 114.38 117.76 1i3j h ARG 220 Ca 0.13 -0.06 -0.08 0.00 0.07 0.00 0.00 59.98 60.04 1i3j h ARG 220 Cb -0.03 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 29.99 1i3j h ARG 220 CO -0.03 0.42 -0.28 1.25 -1.07 0.00 0.00 179.97 180.26 1i3j h HIS 221 N 0.24 0.36 0.00 3.04 2.76 -0.74 -3.20 115.15 117.61 1i3j h HIS 221 Ca 0.05 -0.17 0.00 0.00 -2.20 0.00 0.00 60.37 58.05 1i3j h HIS 221 Cb 0.42 -0.05 0.00 0.00 1.55 0.00 0.00 27.41 29.33 1i3j h HIS 221 CO 0.01 0.91 0.00 1.19 -1.30 0.00 0.00 177.93 178.74 1i3j n PHE 222 N -4.47 0.80 -2.99 5.26 3.01 -0.56 -4.94 117.46 113.56 1i3j n PHE 222 Ca -0.09 0.24 -0.12 0.00 1.01 0.00 0.00 57.45 58.49 1i3j n PHE 222 Cb 0.49 -0.90 0.06 0.00 -0.01 0.00 0.00 39.48 39.12 1i3j n PHE 222 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1i3j n LYS 223 N -2.16 -3.54 -4.35 -1.08 4.76 0.62 -5.05 118.16 107.35 1i3j n LYS 223 Ca 0.05 0.67 -0.19 0.00 -2.87 0.00 0.00 58.31 55.97 1i3j n LYS 223 Cb 0.39 -5.00 -0.09 0.00 -1.84 0.00 0.00 35.03 28.48 1i3j n LYS 223 CO 0.00 0.00 0.00 0.96 -1.37 0.00 0.00 177.40 176.99 1i3j s ILE 224 N -3.29 0.42 0.41 -0.18 -4.36 -0.55 -5.04 121.20 108.61 1i3j s ILE 224 Ca 0.17 -2.00 -0.11 0.00 -0.26 0.00 0.00 60.65 58.45 1i3j s ILE 224 Cb -0.02 -2.53 -0.07 0.00 1.25 0.00 0.00 42.46 41.09 1i3j s ILE 224 CO 0.57 0.00 0.79 -0.94 0.24 0.00 0.00 174.94 175.60 1i3j s SER 225 N -3.39 6.55 0.40 4.36 1.04 -1.26 -4.47 113.70 116.92 1i3j s SER 225 Ca 0.35 1.18 0.09 0.00 0.48 0.00 0.00 55.95 58.06 1i3j s SER 225 Cb 0.05 -2.34 0.88 0.00 0.10 0.00 0.00 66.02 64.71 1i3j s SER 225 CO 0.17 -0.41 1.99 0.28 0.98 0.00 0.00 173.24 176.25 1i3j h SER 226 N 1.29 0.51 -0.92 7.02 0.02 -1.93 -1.23 113.55 118.30 1i3j h SER 226 Ca -0.47 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 60.49 1i3j h SER 226 Cb 1.19 -0.11 -0.05 0.00 0.14 0.00 0.00 62.40 63.57 1i3j h SER 226 CO 0.64 0.33 0.60 1.23 -1.14 0.00 0.00 176.83 178.49 1i3j h GLY 227 N 0.58 1.29 2.00 -3.77 0.00 -1.99 -1.54 103.07 99.64 1i3j h GLY 227 Ca 0.27 -0.49 -0.07 0.00 0.00 0.00 0.00 47.33 47.04 1i3j h GLY 227 CO -0.08 0.48 -0.33 -2.00 0.00 0.00 0.00 176.54 174.61 1i3j h LEU 228 N 1.25 0.00 -0.34 3.11 5.85 -1.61 -1.77 115.31 121.79 1i3j h LEU 228 Ca 0.34 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 59.03 1i3j h LEU 228 Cb -0.13 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 40.88 1i3j h LEU 228 CO -0.07 0.33 0.10 0.58 -0.34 0.00 0.00 178.44 179.04 1i3j h VAL 229 N 0.00 1.21 -0.57 1.05 2.07 -1.09 -0.16 116.25 118.77 1i3j h VAL 229 Ca -0.00 -0.70 -0.02 0.00 0.82 0.00 0.00 66.70 66.80 1i3j h VAL 229 Cb 0.60 1.02 -0.03 0.00 -1.52 0.00 0.00 31.29 31.36 1i3j h VAL 229 CO 0.04 0.24 0.29 0.74 0.02 0.00 0.00 177.57 178.90 1i3j h THR 230 N 0.40 1.20 -0.69 2.57 2.02 -1.27 -1.28 112.91 115.86 1i3j h THR 230 Ca 0.11 -0.52 0.05 0.00 0.77 0.00 0.00 66.41 66.81 1i3j h THR 230 Cb 0.27 0.51 -0.05 0.00 -1.74 0.00 0.00 68.15 67.13 1i3j h THR 230 CO -0.00 0.22 0.40 0.22 0.37 0.00 0.00 175.52 176.73 1i3j h TYR 231 N 0.76 0.75 -0.04 3.16 3.20 -0.86 -2.03 116.97 121.91 1i3j h TYR 231 Ca 0.20 0.02 -0.14 0.00 3.14 0.00 0.00 58.73 61.95 1i3j h TYR 231 Cb 0.08 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.10 1i3j h TYR 231 CO -0.01 0.39 -0.63 0.00 -1.64 0.00 0.00 178.16 176.27 1i3j h ARG 232 N 0.76 0.15 -0.44 1.82 3.08 -0.64 -1.55 114.38 117.56 1i3j h ARG 232 Ca 0.30 -0.11 -0.06 0.00 0.07 0.00 0.00 59.98 60.18 1i3j h ARG 232 Cb 0.12 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.17 1i3j h ARG 232 CO -0.15 0.73 0.03 0.28 -1.07 0.00 0.00 179.97 179.78 1i3j h VAL 233 N 0.11 1.22 0.00 2.04 2.07 -0.82 -2.61 116.25 118.26 1i3j h VAL 233 Ca -0.01 -0.89 -0.01 0.00 0.82 0.00 0.00 66.70 66.61 1i3j h VAL 233 Cb 1.14 0.86 -0.00 0.00 -1.52 0.00 0.00 31.29 31.77 1i3j h VAL 233 CO 0.09 0.31 -0.50 0.07 0.02 0.00 0.00 177.57 177.57 1i3j h LYS 234 N 0.66 0.00 -6.85 1.57 5.09 -1.16 -3.45 116.57 112.43 1i3j h LYS 234 Ca 0.14 0.00 -0.52 0.00 0.09 0.00 0.00 60.65 60.36 1i3j h LYS 234 Cb 0.37 0.00 0.05 0.00 0.10 0.00 0.00 32.23 32.75 1i3j h LYS 234 CO 0.01 0.05 0.58 0.45 -2.09 0.00 0.00 179.45 178.44 1i3j s SER 235 N -5.87 6.97 0.00 7.07 0.15 -0.60 -4.92 113.70 116.49 1i3j s SER 235 Ca 0.03 2.52 0.30 0.00 0.70 0.00 0.00 55.95 59.50 1i3j s SER 235 Cb 0.07 -2.64 1.54 0.00 -1.71 0.00 0.00 66.02 63.28 1i3j s SER 235 CO 0.73 -0.38 2.05 -0.90 1.20 0.00 0.00 173.24 175.93 1i3j n ASP 236 N 1.00 0.00 -0.72 5.45 5.75 -1.26 -3.15 116.55 123.62 1i3j n ASP 236 Ca -0.00 -0.25 0.12 0.00 -0.01 0.00 0.00 54.79 54.65 1i3j n ASP 236 Cb 0.43 -0.24 0.17 0.00 -1.03 0.00 0.00 41.12 40.45 1i3j n ASP 236 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1i3j n LYS 237 N -1.24 1.86 -4.26 0.11 5.02 -1.26 -4.93 118.16 113.45 1i3j n LYS 237 Ca 0.15 -1.45 -0.17 0.00 -2.02 0.00 0.00 58.31 54.82 1i3j n LYS 237 Cb 0.22 -1.47 -0.11 0.00 -0.02 0.00 0.00 35.03 33.65 1i3j n LYS 237 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 1i3j s TRP 238 N -2.14 1.41 -0.73 2.13 0.52 -1.19 -5.06 118.94 113.89 1i3j s TRP 238 Ca 0.27 -0.60 0.03 0.00 0.02 0.00 0.00 56.10 55.82 1i3j s TRP 238 Cb 0.20 -0.72 0.31 0.00 -1.15 0.00 0.00 33.47 32.11 1i3j s TRP 238 CO 0.38 0.16 1.13 -1.71 0.02 0.00 0.00 176.95 176.93 1i3j n ASN 239 N 0.23 5.09 -4.35 2.95 5.15 -1.26 -4.87 115.26 118.20 1i3j n ASN 239 Ca -0.13 -3.62 -0.33 0.00 -0.60 0.00 0.00 54.58 49.90 1i3j n ASN 239 Cb 0.58 -0.77 -0.14 0.00 -0.53 0.00 0.00 39.78 38.92 1i3j n ASN 239 CO 0.00 0.00 0.00 0.26 1.40 0.00 0.00 177.26 178.92 1i3j s TRP 240 N -3.38 2.86 -0.02 1.20 0.52 -1.26 -0.68 118.94 118.16 1i3j s TRP 240 Ca 0.44 -0.74 -0.12 0.00 0.02 0.00 0.00 56.10 55.70 1i3j s TRP 240 Cb 0.21 -1.91 0.02 0.00 -1.15 0.00 0.00 33.47 30.64 1i3j s TRP 240 CO -0.09 -0.30 0.26 -0.59 0.02 0.00 0.00 176.95 176.24 1i3j s PHE 241 N 0.64 -0.13 0.38 -1.98 -0.12 -0.71 -4.35 117.98 111.71 1i3j s PHE 241 Ca -0.06 0.22 -0.24 0.00 -0.05 0.00 0.00 56.93 56.81 1i3j s PHE 241 Cb -0.15 0.06 -0.10 0.00 -0.63 0.00 0.00 43.02 42.19 1i3j s PHE 241 CO 0.03 -0.32 0.95 0.71 -0.05 0.00 0.00 175.22 176.53 1i3j s TYR 242 N -1.12 3.50 -0.56 3.49 1.51 -1.26 -1.10 117.35 121.80 1i3j s TYR 242 Ca -0.12 1.70 -0.24 0.00 -1.01 0.00 0.00 57.07 57.40 1i3j s TYR 242 Cb -0.05 -2.89 0.04 0.00 -0.11 0.00 0.00 41.96 38.95 1i3j s TYR 242 CO 0.03 0.05 0.93 0.42 -1.11 0.00 0.00 175.55 175.86 1i3j s ILE 243 N -1.90 4.41 0.00 2.71 -1.09 -0.58 -4.90 121.20 119.84 1i3j s ILE 243 Ca 0.56 0.17 0.00 0.00 -2.23 0.00 0.00 60.65 59.15 1i3j s ILE 243 Cb -0.14 -4.54 0.00 0.00 -1.58 0.00 0.00 42.46 36.20 1i3j s ILE 243 CO 0.18 -1.13 0.00 0.59 -1.23 0.00 0.00 174.94 173.35