#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iqa n GLN 162 N 0.00 1.01 -1.06 0.00 1.13 -1.26 -4.83 117.38 112.37 1iqa n GLN 162 Ca 0.00 0.36 -0.33 0.00 -1.94 0.00 0.00 57.00 55.09 1iqa n GLN 162 Cb 0.00 -1.73 0.13 0.00 0.11 0.00 0.00 30.24 28.75 1iqa n GLN 162 CO 0.00 0.00 0.00 -2.14 -1.44 0.00 0.00 177.06 173.48 1iqa s PRO 163 N -0.89 1.57 -0.11 -1.09 0.02 -1.26 -4.89 135.00 128.35 1iqa s PRO 163 Ca 0.67 1.67 -0.33 0.00 0.02 0.00 0.00 61.00 63.03 1iqa s PRO 163 Cb -0.82 -1.78 0.14 0.00 0.02 0.00 0.00 34.50 32.06 1iqa s PRO 163 CO 0.56 -2.24 1.34 -0.59 -0.33 0.00 0.00 177.00 175.74 1iqa s PHE 164 N -2.30 -0.04 -0.22 6.54 -0.12 -0.05 -2.72 117.98 119.07 1iqa s PHE 164 Ca 0.71 -0.01 -0.27 0.00 -0.05 0.00 0.00 56.93 57.30 1iqa s PHE 164 Cb -0.26 0.52 0.12 0.00 -0.63 0.00 0.00 43.02 42.76 1iqa s PHE 164 CO 0.52 -0.14 0.98 0.00 -0.05 0.00 0.00 175.22 176.53 1iqa s ALA 165 N -2.23 -1.93 -0.15 1.99 0.00 -0.21 -0.27 121.76 118.96 1iqa s ALA 165 Ca 0.13 1.75 -0.04 0.00 0.00 0.00 0.00 51.96 53.80 1iqa s ALA 165 Cb 0.04 -1.07 0.06 0.00 0.00 0.00 0.00 23.12 22.16 1iqa s ALA 165 CO -0.05 -0.28 0.14 -1.58 0.00 0.00 0.00 175.76 174.00 1iqa s HIS 166 N -0.33 -0.05 -0.08 0.00 5.04 -0.35 -0.48 115.29 119.04 1iqa s HIS 166 Ca 0.00 0.12 0.04 0.00 -1.54 0.00 0.00 55.06 53.68 1iqa s HIS 166 Cb -0.03 -0.47 -0.01 0.00 0.04 0.00 0.00 32.58 32.11 1iqa s HIS 166 CO -0.02 -0.45 -0.19 -0.51 -2.34 0.00 0.00 174.74 171.22 1iqa s LEU 167 N 2.24 2.39 -0.09 8.88 1.43 0.70 -1.36 118.68 132.87 1iqa s LEU 167 Ca 0.04 -0.41 -0.04 0.00 -1.03 0.00 0.00 54.13 52.70 1iqa s LEU 167 Cb -0.15 -1.48 -0.04 0.00 0.03 0.00 0.00 46.19 44.56 1iqa s LEU 167 CO -0.09 0.23 0.07 0.42 0.23 0.00 0.00 176.35 177.21 1iqa s THR 168 N -0.05 4.84 0.31 5.49 -4.23 -1.21 -1.95 115.64 118.84 1iqa s THR 168 Ca -0.05 -0.09 -0.30 0.00 -1.18 0.00 0.00 61.69 60.07 1iqa s THR 168 Cb -0.14 -3.10 -0.12 0.00 1.34 0.00 0.00 72.50 70.48 1iqa s THR 168 CO 0.04 0.57 1.55 0.00 -0.54 0.00 0.00 174.62 176.25 1iqa n ILE 169 N 1.93 1.22 -3.56 2.99 0.13 -0.85 0.42 119.36 121.64 1iqa n ILE 169 Ca -0.18 -0.30 -0.41 0.00 -1.10 0.00 0.00 62.75 60.75 1iqa n ILE 169 Cb 0.54 -1.92 -0.11 0.00 -0.84 0.00 0.00 39.64 37.32 1iqa n ILE 169 CO 0.00 0.00 0.00 0.21 2.80 0.00 0.00 176.55 179.56 1iqa s ASN 170 N 0.35 5.83 0.00 9.51 3.04 -0.61 -4.67 114.94 128.38 1iqa s ASN 170 Ca 0.62 -1.06 0.00 0.00 0.04 0.00 0.00 52.86 52.46 1iqa s ASN 170 Cb -0.51 -2.06 0.00 0.00 -1.54 0.00 0.00 41.25 37.15 1iqa s ASN 170 CO 0.52 -0.43 0.10 0.00 -3.04 0.00 0.00 177.10 174.24 1iqa n ALA 171 N 5.04 0.31 -0.03 1.71 0.00 -1.26 -1.50 120.51 124.77 1iqa n ALA 171 Ca -0.11 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.17 1iqa n ALA 171 Cb 0.46 -0.21 -0.12 0.00 0.00 0.00 0.00 19.45 19.58 1iqa n ALA 171 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1iqa h ALA 172 N 0.41 0.01 0.00 0.00 0.00 -1.93 -3.38 119.26 114.37 1iqa h ALA 172 Ca 0.00 -0.48 -0.32 0.00 0.00 0.00 0.00 54.91 54.12 1iqa h ALA 172 Cb 0.00 0.02 0.04 0.00 0.00 0.00 0.00 17.79 17.85 1iqa h ALA 172 CO 0.00 0.06 1.66 0.45 0.00 0.00 0.00 179.25 181.42 1iqa n SER 173 N -4.53 1.76 -3.15 0.00 2.88 -0.56 -4.64 113.62 105.38 1iqa n SER 173 Ca -0.10 -2.29 0.04 0.00 -1.33 0.00 0.00 58.87 55.20 1iqa n SER 173 Cb 0.50 -0.73 -0.00 0.00 -0.75 0.00 0.00 64.21 63.23 1iqa n SER 173 CO 0.00 0.00 0.00 0.27 -1.23 0.00 0.00 175.04 174.08 1iqa s ILE 174 N 5.07 -0.82 0.00 2.46 -4.36 -1.26 -4.72 121.20 117.57 1iqa s ILE 174 Ca 0.33 0.00 0.00 0.00 -0.26 0.00 0.00 60.65 60.72 1iqa s ILE 174 Cb 0.08 -0.86 0.00 0.00 1.25 0.00 0.00 42.46 42.93 1iqa s ILE 174 CO 0.09 0.00 0.00 -0.81 0.24 0.00 0.00 174.94 174.46 1iqa n PRO 175 N 5.37 1.04 -0.50 0.37 -0.04 -1.26 -4.90 135.00 135.07 1iqa n PRO 175 Ca 0.04 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.57 1iqa n PRO 175 Cb 0.54 0.00 0.20 0.00 -0.04 0.00 0.00 33.50 34.20 1iqa n PRO 175 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1iqa n SER 176 N 0.00 1.83 -4.96 3.54 2.88 -1.26 -4.03 113.62 111.63 1iqa n SER 176 Ca 0.00 -3.75 -0.24 0.00 -1.33 0.00 0.00 58.87 53.55 1iqa n SER 176 Cb 0.00 -0.51 0.02 0.00 -0.75 0.00 0.00 64.21 62.97 1iqa n SER 176 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1iqa s GLY 177 N -3.17 2.12 -0.01 0.46 0.00 -1.26 -4.90 107.32 100.55 1iqa s GLY 177 Ca 0.37 -1.61 0.13 0.00 0.00 0.00 0.00 44.72 43.61 1iqa s GLY 177 CO -0.05 -1.84 0.38 -1.14 0.00 0.00 0.00 173.10 170.45 1iqa n SER 178 N -1.96 1.47 -4.71 1.64 3.41 -1.26 -3.64 113.62 108.57 1iqa n SER 178 Ca 0.05 -0.29 -0.39 0.00 -0.26 0.00 0.00 58.87 57.98 1iqa n SER 178 Cb 0.63 1.38 0.04 0.00 -0.26 0.00 0.00 64.21 66.01 1iqa n SER 178 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 1iqa n HIS 179 N -1.72 1.98 -2.32 7.33 -0.00 -1.26 -2.30 115.22 116.93 1iqa n HIS 179 Ca -0.01 0.44 -0.41 0.00 -0.00 0.00 0.00 57.72 57.74 1iqa n HIS 179 Cb 0.29 -2.32 -0.03 0.00 -0.00 0.00 0.00 29.99 27.93 1iqa n HIS 179 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.34 176.55 1iqa s LYS 180 N -2.81 4.45 0.06 1.57 2.20 -1.26 -4.04 119.74 119.91 1iqa s LYS 180 Ca 0.72 1.93 -0.08 0.00 -0.36 0.00 0.00 55.97 58.19 1iqa s LYS 180 Cb -0.43 -3.23 -0.00 0.00 -1.51 0.00 0.00 37.83 32.66 1iqa s LYS 180 CO 0.49 -0.16 0.16 0.14 -0.36 0.00 0.00 175.35 175.61 1iqa s VAL 181 N 0.09 0.14 0.08 4.02 -7.23 -0.02 -4.94 120.40 112.55 1iqa s VAL 181 Ca 0.55 -1.12 -0.28 0.00 -1.81 0.00 0.00 61.98 59.31 1iqa s VAL 181 Cb -0.34 -1.13 -0.06 0.00 0.56 0.00 0.00 36.38 35.42 1iqa s VAL 181 CO 0.37 -0.62 0.90 -0.89 -0.31 0.00 0.00 175.10 174.55 1iqa s THR 182 N -3.21 4.59 -0.14 5.32 2.01 -1.26 -1.22 115.64 121.74 1iqa s THR 182 Ca -0.00 1.93 -0.25 0.00 0.31 0.00 0.00 61.69 63.68 1iqa s THR 182 Cb 0.02 -4.26 -0.02 0.00 0.01 0.00 0.00 72.50 68.25 1iqa s THR 182 CO -0.07 0.32 0.81 -0.76 -0.69 0.00 0.00 174.62 174.23 1iqa s LEU 183 N 0.03 4.22 0.00 4.42 1.43 0.33 -4.94 118.68 124.18 1iqa s LEU 183 Ca 0.45 1.20 0.11 0.00 -1.03 0.00 0.00 54.13 54.85 1iqa s LEU 183 Cb -0.22 -3.21 0.00 0.00 0.03 0.00 0.00 46.19 42.79 1iqa s LEU 183 CO 0.28 -0.32 0.67 -1.54 0.23 0.00 0.00 176.35 175.66 1iqa n SER 184 N 4.81 1.30 -4.00 2.29 3.41 -1.26 -4.50 113.62 115.68 1iqa n SER 184 Ca 0.03 -1.15 -0.30 0.00 -0.26 0.00 0.00 58.87 57.19 1iqa n SER 184 Cb 0.50 0.43 -0.16 0.00 -0.26 0.00 0.00 64.21 64.71 1iqa n SER 184 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1iqa s SER 185 N -1.36 3.05 -0.01 4.04 0.01 -1.26 -1.45 113.70 116.72 1iqa s SER 185 Ca 0.09 -0.69 0.01 0.00 1.31 0.00 0.00 55.95 56.67 1iqa s SER 185 Cb 0.09 -1.20 -0.00 0.00 0.21 0.00 0.00 66.02 65.12 1iqa s SER 185 CO 0.25 -0.11 -0.05 0.26 0.41 0.00 0.00 173.24 174.01 1iqa s TRP 186 N 1.45 0.46 0.66 2.43 0.52 -1.26 -1.58 118.94 121.61 1iqa s TRP 186 Ca 0.02 -0.09 -0.11 0.00 0.02 0.00 0.00 56.10 55.94 1iqa s TRP 186 Cb -0.15 -0.31 -0.01 0.00 -1.15 0.00 0.00 33.47 31.85 1iqa s TRP 186 CO -0.09 -0.02 1.05 0.71 0.02 0.00 0.00 176.95 178.61 1iqa s TYR 187 N -0.02 3.29 0.00 -1.98 4.12 0.17 -4.85 117.35 118.08 1iqa s TYR 187 Ca 0.01 1.38 0.00 0.00 0.02 0.00 0.00 57.07 58.48 1iqa s TYR 187 Cb -0.03 -2.83 0.00 0.00 -1.52 0.00 0.00 41.96 37.58 1iqa s TYR 187 CO -0.00 -1.01 0.23 -2.39 0.02 0.00 0.00 175.55 172.39 1iqa n HIS 188 N -2.88 0.00 -1.34 2.71 1.44 -1.26 -3.31 115.22 110.58 1iqa n HIS 188 Ca 0.07 0.00 0.01 0.00 -2.01 0.00 0.00 57.72 55.79 1iqa n HIS 188 Cb 0.54 0.04 0.02 0.00 0.12 0.00 0.00 29.99 30.71 1iqa n HIS 188 CO 0.00 0.00 0.00 -0.40 -2.81 0.00 0.00 176.34 173.13 1iqa n ASP 189 N 0.00 0.52 -3.89 4.39 5.75 -1.25 -3.27 116.55 118.81 1iqa n ASP 189 Ca 0.00 -1.82 -0.10 0.00 -0.01 0.00 0.00 54.79 52.86 1iqa n ASP 189 Cb 0.43 -0.14 -0.09 0.00 -1.03 0.00 0.00 41.12 40.28 1iqa n ASP 189 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1iqa s ARG 190 N -0.49 0.63 4.61 0.11 1.70 -1.22 -5.00 118.95 119.29 1iqa s ARG 190 Ca 0.04 -0.70 0.00 0.00 -0.47 0.00 0.00 55.73 54.60 1iqa s ARG 190 Cb 0.04 0.25 0.00 0.00 -0.57 0.00 0.00 34.95 34.67 1iqa s ARG 190 CO 0.00 -0.17 0.00 0.41 -1.08 0.00 0.00 175.30 174.46 1iqa n GLY 191 N 0.74 3.28 0.10 3.88 0.00 -1.26 -0.28 105.19 111.65 1iqa n GLY 191 Ca -0.19 0.07 0.13 0.00 0.00 0.00 0.00 46.02 46.03 1iqa n GLY 191 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1iqa n TRP 192 N 14.00 0.88 -1.85 1.61 5.03 -1.26 -4.85 117.44 130.99 1iqa n TRP 192 Ca 0.00 0.25 -0.42 0.00 3.03 0.00 0.00 57.50 60.36 1iqa n TRP 192 Cb 0.00 -0.91 -0.03 0.00 -1.03 0.00 0.00 31.31 29.34 1iqa n TRP 192 CO 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 177.69 177.66 1iqa s ALA 193 N -3.10 3.76 0.13 6.99 0.00 0.62 -4.84 121.76 125.32 1iqa s ALA 193 Ca 0.11 1.35 -0.16 0.00 0.00 0.00 0.00 51.96 53.26 1iqa s ALA 193 Cb 0.13 -3.69 0.03 0.00 0.00 0.00 0.00 23.12 19.59 1iqa s ALA 193 CO 0.60 -1.02 0.40 -1.59 0.00 0.00 0.00 175.76 174.15 1iqa s LYS 194 N 2.09 1.08 -0.17 0.00 -2.85 -0.46 -3.38 119.74 116.04 1iqa s LYS 194 Ca 0.75 -0.73 -0.28 0.00 -1.00 0.00 0.00 55.97 54.71 1iqa s LYS 194 Cb -0.44 0.47 0.08 0.00 -2.06 0.00 0.00 37.83 35.88 1iqa s LYS 194 CO 0.33 -0.42 0.73 -1.50 0.10 0.00 0.00 175.35 174.59 1iqa s ILE 195 N -3.81 0.00 -0.21 3.79 2.07 -1.25 -1.21 121.20 120.57 1iqa s ILE 195 Ca 0.04 0.00 -0.10 0.00 -1.41 0.00 0.00 60.65 59.18 1iqa s ILE 195 Cb 0.02 -1.00 0.08 0.00 0.13 0.00 0.00 42.46 41.68 1iqa s ILE 195 CO -0.11 0.00 0.48 -0.55 -1.91 0.00 0.00 174.94 172.85 1iqa s SER 196 N -0.38 -0.58 -0.81 4.50 0.15 0.63 -4.96 113.70 112.25 1iqa s SER 196 Ca -0.05 1.09 -0.01 0.00 0.70 0.00 0.00 55.95 57.68 1iqa s SER 196 Cb -0.03 1.15 0.00 0.00 -1.71 0.00 0.00 66.02 65.44 1iqa s SER 196 CO 0.05 -0.21 0.68 0.59 1.20 0.00 0.00 173.24 175.54 1iqa n ASN 197 N 4.65 -2.63 -3.70 5.45 3.02 -1.26 -0.87 115.26 119.92 1iqa n ASN 197 Ca -0.18 -0.39 -0.11 0.00 -0.03 0.00 0.00 54.58 53.86 1iqa n ASN 197 Cb 0.54 -3.52 -0.11 0.00 -0.61 0.00 0.00 39.78 36.08 1iqa n ASN 197 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1iqa s THR 199 N -3.23 -0.07 -0.33 3.41 2.01 -0.89 -3.95 115.64 112.59 1iqa s THR 199 Ca 0.08 0.12 -0.13 0.00 0.31 0.00 0.00 61.69 62.07 1iqa s THR 199 Cb -0.04 -0.55 -0.02 0.00 0.01 0.00 0.00 72.50 71.90 1iqa s THR 199 CO 0.48 0.05 0.25 -0.22 -0.69 0.00 0.00 174.62 174.48 1iqa s LEU 200 N 1.46 4.41 -0.36 4.42 2.96 -1.26 -0.17 118.68 130.14 1iqa s LEU 200 Ca -0.09 -0.31 0.02 0.00 -0.22 0.00 0.00 54.13 53.53 1iqa s LEU 200 Cb -0.09 -2.16 0.11 0.00 0.50 0.00 0.00 46.19 44.54 1iqa s LEU 200 CO -0.12 -0.21 0.12 -0.94 -1.32 0.00 0.00 176.35 173.89 1iqa s SER 201 N 1.73 4.20 -0.97 3.68 1.04 0.12 -4.90 113.70 118.59 1iqa s SER 201 Ca 0.07 -2.08 -0.13 0.00 0.48 0.00 0.00 55.95 54.29 1iqa s SER 201 Cb -0.17 -1.18 0.01 0.00 0.10 0.00 0.00 66.02 64.79 1iqa s SER 201 CO 0.11 -0.36 0.65 0.59 0.98 0.00 0.00 173.24 175.20 1iqa n ASN 202 N 4.29 -4.80 0.00 7.02 5.03 -1.26 -1.28 115.26 124.26 1iqa n ASN 202 Ca 0.02 -1.04 0.00 0.00 0.87 0.00 0.00 54.58 54.43 1iqa n ASN 202 Cb 0.40 -1.97 0.00 0.00 -1.02 0.00 0.00 39.78 37.19 1iqa n ASN 202 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1iqa n GLY 203 N -1.81 0.78 3.36 7.41 0.00 -0.53 -4.67 105.19 109.74 1iqa n GLY 203 Ca -0.22 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.45 1iqa n GLY 203 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1iqa s LYS 204 N -0.17 3.47 -0.52 1.61 2.47 -0.41 -4.39 119.74 121.81 1iqa s LYS 204 Ca 0.00 -0.58 -0.17 0.00 -1.56 0.00 0.00 55.97 53.66 1iqa s LYS 204 Cb 0.00 -3.08 0.09 0.00 -1.46 0.00 0.00 37.83 33.39 1iqa s LYS 204 CO 0.00 -0.16 0.51 -1.17 0.16 0.00 0.00 175.35 174.69 1iqa s LEU 205 N 1.42 5.68 0.03 5.43 2.96 -0.08 -0.71 118.68 133.41 1iqa s LEU 205 Ca 0.05 -1.43 -0.24 0.00 -0.22 0.00 0.00 54.13 52.28 1iqa s LEU 205 Cb -0.14 -2.25 -0.05 0.00 0.50 0.00 0.00 46.19 44.25 1iqa s LEU 205 CO -0.01 -0.82 0.73 -0.60 -1.32 0.00 0.00 176.35 174.34 1iqa s ARG 206 N 1.91 4.46 0.07 1.98 3.52 0.76 -0.57 118.95 131.08 1iqa s ARG 206 Ca 0.06 1.00 -0.26 0.00 -0.13 0.00 0.00 55.73 56.41 1iqa s ARG 206 Cb -0.25 -3.36 -0.06 0.00 -1.56 0.00 0.00 34.95 29.71 1iqa s ARG 206 CO 0.06 0.28 0.79 0.08 -0.81 0.00 0.00 175.30 175.71 1iqa s VAL 207 N -0.03 4.66 -0.17 7.11 1.01 0.51 -2.10 120.40 131.40 1iqa s VAL 207 Ca 0.37 1.70 0.09 0.00 0.00 0.00 0.00 61.98 64.13 1iqa s VAL 207 Cb -0.20 -4.14 -0.16 0.00 0.00 0.00 0.00 36.38 31.87 1iqa s VAL 207 CO 0.22 0.38 -0.04 0.59 0.00 0.00 0.00 175.10 176.25 1iqa n ASN 208 N 2.67 1.78 -4.46 3.32 3.02 -1.25 0.28 115.26 120.62 1iqa n ASN 208 Ca -0.02 -0.04 -0.35 0.00 -0.03 0.00 0.00 54.58 54.14 1iqa n ASN 208 Cb 0.50 0.40 -0.12 0.00 -0.61 0.00 0.00 39.78 39.94 1iqa n ASN 208 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 1iqa s GLN 209 N -2.37 3.63 0.60 3.52 0.74 -1.26 -4.60 119.66 119.92 1iqa s GLN 209 Ca -0.15 -0.52 -0.20 0.00 0.05 0.00 0.00 55.36 54.55 1iqa s GLN 209 Cb 0.05 -3.03 -0.03 0.00 1.10 0.00 0.00 33.01 31.10 1iqa s GLN 209 CO 0.55 0.08 1.27 -0.25 -0.55 0.00 0.00 175.29 176.39 1iqa n ASP 210 N 4.03 2.11 0.00 6.67 9.92 -1.26 -4.45 116.55 133.57 1iqa n ASP 210 Ca -0.17 0.88 0.00 0.00 -0.53 0.00 0.00 54.79 54.97 1iqa n ASP 210 Cb 0.52 -1.54 0.00 0.00 -0.64 0.00 0.00 41.12 39.46 1iqa n ASP 210 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1iqa n GLY 211 N 0.92 -0.68 3.42 0.44 0.00 -0.25 -4.61 105.19 104.42 1iqa n GLY 211 Ca 0.14 -1.18 -0.38 0.00 0.00 0.00 0.00 46.02 44.59 1iqa n GLY 211 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1iqa s PHE 212 N -2.00 3.16 0.14 1.61 0.40 0.37 0.28 117.98 121.94 1iqa s PHE 212 Ca 0.00 -0.65 0.08 0.00 -0.60 0.00 0.00 56.93 55.77 1iqa s PHE 212 Cb 0.00 -2.32 -0.04 0.00 0.51 0.00 0.00 43.02 41.17 1iqa s PHE 212 CO 0.00 -0.47 -0.11 0.71 0.70 0.00 0.00 175.22 176.05 1iqa s TYR 213 N 1.59 2.65 -0.23 0.36 1.51 0.34 0.48 117.35 124.04 1iqa s TYR 213 Ca 0.04 -0.21 -0.15 0.00 -1.01 0.00 0.00 57.07 55.74 1iqa s TYR 213 Cb -0.17 -1.34 -0.04 0.00 -0.11 0.00 0.00 41.96 40.30 1iqa s TYR 213 CO 0.05 0.46 0.37 -0.47 -1.11 0.00 0.00 175.55 174.85 1iqa s TYR 214 N -1.44 3.32 0.06 2.71 5.04 -0.55 -0.17 117.35 126.33 1iqa s TYR 214 Ca 0.22 0.52 0.05 0.00 -2.44 0.00 0.00 57.07 55.42 1iqa s TYR 214 Cb -0.10 -2.52 -0.04 0.00 0.35 0.00 0.00 41.96 39.65 1iqa s TYR 214 CO 0.14 -0.08 -0.04 -0.51 -1.34 0.00 0.00 175.55 173.72 1iqa s LEU 215 N 1.56 3.29 0.21 6.97 1.43 0.11 -2.00 118.68 130.26 1iqa s LEU 215 Ca 0.17 -0.21 -0.18 0.00 -1.03 0.00 0.00 54.13 52.88 1iqa s LEU 215 Cb -0.15 -2.00 0.03 0.00 0.03 0.00 0.00 46.19 44.10 1iqa s LEU 215 CO 0.08 0.21 0.56 -0.72 0.23 0.00 0.00 176.35 176.71 1iqa s TYR 216 N -1.19 -0.11 -0.02 0.29 -0.85 -0.66 -1.47 117.35 113.34 1iqa s TYR 216 Ca 0.22 -0.25 -0.26 0.00 -0.52 0.00 0.00 57.07 56.26 1iqa s TYR 216 Cb -0.11 0.43 0.06 0.00 0.38 0.00 0.00 41.96 42.72 1iqa s TYR 216 CO 0.14 -0.97 0.56 0.00 -1.52 0.00 0.00 175.55 173.76 1iqa s ALA 217 N -3.89 -1.46 -0.03 9.51 0.00 -0.97 -0.79 121.76 124.13 1iqa s ALA 217 Ca 0.10 0.95 0.01 0.00 0.00 0.00 0.00 51.96 53.03 1iqa s ALA 217 Cb -0.02 0.09 0.02 0.00 0.00 0.00 0.00 23.12 23.21 1iqa s ALA 217 CO -0.01 -0.37 -0.04 1.21 0.00 0.00 0.00 175.76 176.56 1iqa s ASN 218 N -1.37 0.77 -0.09 0.00 2.47 0.74 -1.86 114.94 115.59 1iqa s ASN 218 Ca -0.11 -0.10 -0.01 0.00 0.42 0.00 0.00 52.86 53.06 1iqa s ASN 218 Cb -0.01 -0.34 0.03 0.00 -1.45 0.00 0.00 41.25 39.47 1iqa s ASN 218 CO 0.06 -0.04 -0.02 -0.63 -3.72 0.00 0.00 177.10 172.75 1iqa s ILE 219 N 0.77 0.60 -0.10 -5.21 -1.09 0.13 -1.13 121.20 115.17 1iqa s ILE 219 Ca -0.09 -0.06 -0.03 0.00 -2.23 0.00 0.00 60.65 58.24 1iqa s ILE 219 Cb -0.13 -0.73 -0.03 0.00 -1.58 0.00 0.00 42.46 39.99 1iqa s ILE 219 CO -0.00 0.26 0.03 0.00 -1.23 0.00 0.00 174.94 174.00 1iqa s PHE 221 N -0.86 2.14 0.11 0.00 0.40 -0.02 -0.65 117.98 119.11 1iqa s PHE 221 Ca 0.13 -0.40 -0.10 0.00 -0.60 0.00 0.00 56.93 55.96 1iqa s PHE 221 Cb -0.12 -1.32 0.00 0.00 0.51 0.00 0.00 43.02 42.10 1iqa s PHE 221 CO 0.03 0.05 0.23 -0.98 0.70 0.00 0.00 175.22 175.25 1iqa s ARG 222 N -0.95 0.93 -0.27 0.44 3.03 0.12 -1.44 118.95 120.81 1iqa s ARG 222 Ca 0.10 -0.97 -0.13 0.00 2.03 0.00 0.00 55.73 56.76 1iqa s ARG 222 Cb -0.09 0.36 0.09 0.00 -1.03 0.00 0.00 34.95 34.28 1iqa s ARG 222 CO 0.01 -0.31 0.64 -1.58 -1.13 0.00 0.00 175.30 172.92 1iqa s HIS 223 N -3.87 -1.08 -0.11 5.89 2.46 0.55 -4.76 115.29 114.36 1iqa s HIS 223 Ca 0.07 2.07 0.00 0.00 0.47 0.00 0.00 55.06 57.67 1iqa s HIS 223 Cb 0.04 0.63 -0.02 0.00 -0.13 0.00 0.00 32.58 33.10 1iqa s HIS 223 CO -0.09 -0.55 -0.12 -1.58 -2.47 0.00 0.00 174.74 169.93 1iqa s HIS 224 N 2.01 2.81 0.40 3.88 5.04 -1.26 -0.59 115.29 127.58 1iqa s HIS 224 Ca -0.08 -0.48 0.20 0.00 -1.54 0.00 0.00 55.06 53.16 1iqa s HIS 224 Cb -0.08 -1.80 1.15 0.00 0.04 0.00 0.00 32.58 31.90 1iqa s HIS 224 CO -0.19 -0.08 1.74 1.05 -2.34 0.00 0.00 174.74 174.92 1iqa h GLU 225 N 6.34 0.33 -0.23 2.88 4.11 -1.07 -0.65 114.58 126.29 1iqa h GLU 225 Ca -0.32 -0.02 0.05 0.00 0.07 0.00 0.00 59.36 59.15 1iqa h GLU 225 Cb 1.20 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.36 1iqa h GLU 225 CO 0.55 0.22 0.16 1.15 0.07 0.00 0.00 179.01 181.16 1iqa h THR 226 N 0.34 0.92 -0.00 -1.06 2.02 -1.96 -2.14 112.91 111.03 1iqa h THR 226 Ca 0.64 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.80 1iqa h THR 226 Cb 1.69 0.85 0.00 0.00 -1.74 0.00 0.00 68.15 68.95 1iqa h THR 226 CO -0.34 0.01 -0.02 -1.54 0.37 0.00 0.00 175.52 174.01 1iqa n SER 227 N -4.48 0.16 0.00 4.18 3.41 -0.25 -5.02 113.62 111.62 1iqa n SER 227 Ca 0.02 -0.66 0.00 0.00 -0.26 0.00 0.00 58.87 57.97 1iqa n SER 227 Cb 0.26 -0.11 0.00 0.00 -0.26 0.00 0.00 64.21 64.10 1iqa n SER 227 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1iqa n GLY 228 N 1.15 0.22 3.41 5.00 0.00 -0.81 -5.07 105.19 109.10 1iqa n GLY 228 Ca 0.19 -2.30 -0.17 0.00 0.00 0.00 0.00 46.02 43.73 1iqa n GLY 228 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1iqa n SER 229 N 0.03 1.73 -3.83 1.61 3.41 -1.26 -4.74 113.62 110.57 1iqa n SER 229 Ca 0.00 -2.28 -0.12 0.00 -0.26 0.00 0.00 58.87 56.21 1iqa n SER 229 Cb 0.00 -0.41 -0.09 0.00 -0.26 0.00 0.00 64.21 63.45 1iqa n SER 229 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1iqa s VAL 230 N -2.24 0.08 0.43 -3.33 -7.23 -1.26 -5.07 120.40 101.77 1iqa s VAL 230 Ca 0.54 -0.62 0.24 0.00 -1.81 0.00 0.00 61.98 60.33 1iqa s VAL 230 Cb -0.04 -0.51 0.44 0.00 0.56 0.00 0.00 36.38 36.83 1iqa s VAL 230 CO 0.35 -0.34 1.73 -0.65 -0.31 0.00 0.00 175.10 175.87 1iqa h PRO 231 N 4.10 0.25 -3.22 4.82 0.11 -2.00 -3.43 132.00 132.63 1iqa h PRO 231 Ca -0.30 -0.01 -0.09 0.00 0.11 0.00 0.00 66.00 65.70 1iqa h PRO 231 Cb 1.19 -0.06 -0.17 0.00 0.11 0.00 0.00 31.00 32.08 1iqa h PRO 231 CO 0.41 0.16 -0.19 0.95 -0.21 0.00 0.00 178.00 179.11 1iqa s THR 232 N -5.37 0.07 0.11 -1.15 -4.23 -1.26 -5.03 115.64 98.78 1iqa s THR 232 Ca -0.08 -0.60 -0.19 0.00 -1.18 0.00 0.00 61.69 59.64 1iqa s THR 232 Cb 0.26 -0.95 -0.06 0.00 1.34 0.00 0.00 72.50 73.09 1iqa s THR 232 CO 0.81 -0.33 1.66 0.44 -0.54 0.00 0.00 174.62 176.65 1iqa h ASP 233 N 3.11 0.36 -3.57 3.99 3.45 -1.93 -3.42 116.42 118.41 1iqa h ASP 233 Ca -0.32 -0.15 -0.68 0.00 0.43 0.00 0.00 57.03 56.31 1iqa h ASP 233 Cb 1.20 -0.09 -0.18 0.00 -0.56 0.00 0.00 39.33 39.71 1iqa h ASP 233 CO 0.45 0.41 -0.14 -0.47 -1.57 0.00 0.00 179.24 177.93 1iqa s TYR 234 N -5.59 3.15 0.10 4.55 5.04 -1.26 -1.27 117.35 122.07 1iqa s TYR 234 Ca -0.13 -0.22 0.02 0.00 -2.44 0.00 0.00 57.07 54.29 1iqa s TYR 234 Cb 0.08 -2.96 -0.04 0.00 0.35 0.00 0.00 41.96 39.39 1iqa s TYR 234 CO 0.72 -0.69 0.19 -0.51 -1.34 0.00 0.00 175.55 173.92 1iqa s LEU 235 N 2.28 4.18 -0.41 6.97 1.43 0.47 -4.94 118.68 128.66 1iqa s LEU 235 Ca 0.15 0.14 0.00 0.00 -1.03 0.00 0.00 54.13 53.39 1iqa s LEU 235 Cb -0.16 -2.79 0.11 0.00 0.03 0.00 0.00 46.19 43.38 1iqa s LEU 235 CO 0.14 0.13 0.17 -1.10 0.23 0.00 0.00 176.35 175.92 1iqa s GLN 236 N -2.73 1.85 -0.03 1.70 -0.21 -1.26 0.15 119.66 119.14 1iqa s GLN 236 Ca 0.33 -1.95 -0.12 0.00 0.02 0.00 0.00 55.36 53.64 1iqa s GLN 236 Cb -0.12 -3.44 -0.05 0.00 1.00 0.00 0.00 33.01 30.39 1iqa s GLN 236 CO 0.26 -1.04 0.34 -0.51 -2.12 0.00 0.00 175.29 172.22 1iqa s LEU 237 N 0.87 4.45 -0.28 2.90 1.43 -0.50 -4.62 118.68 122.94 1iqa s LEU 237 Ca 0.10 0.83 -0.24 0.00 -1.03 0.00 0.00 54.13 53.79 1iqa s LEU 237 Cb -0.21 -2.46 0.12 0.00 0.03 0.00 0.00 46.19 43.66 1iqa s LEU 237 CO -0.05 0.34 0.99 0.54 0.23 0.00 0.00 176.35 178.40 1iqa s VAL 239 N -1.08 0.00 -0.04 -1.59 0.11 -0.18 -0.88 120.40 116.73 1iqa s VAL 239 Ca 0.22 0.00 0.02 0.00 -2.93 0.00 0.00 61.98 59.29 1iqa s VAL 239 Cb -0.15 -1.00 0.01 0.00 -1.53 0.00 0.00 36.38 33.71 1iqa s VAL 239 CO 0.11 0.00 -0.10 -0.31 -3.33 0.00 0.00 175.10 171.47 1iqa s TYR 240 N 0.33 1.13 -0.29 1.54 1.51 0.46 -1.72 117.35 120.31 1iqa s TYR 240 Ca 0.02 -0.35 -0.08 0.00 -1.01 0.00 0.00 57.07 55.65 1iqa s TYR 240 Cb -0.05 -0.84 -0.01 0.00 -0.11 0.00 0.00 41.96 40.95 1iqa s TYR 240 CO -0.06 -0.18 0.10 0.08 -1.11 0.00 0.00 175.55 174.37 1iqa s VAL 241 N 0.50 4.25 -0.07 0.71 1.01 -1.26 -1.09 120.40 124.46 1iqa s VAL 241 Ca -0.09 -0.47 0.00 0.00 0.00 0.00 0.00 61.98 61.43 1iqa s VAL 241 Cb -0.13 -3.13 -0.03 0.00 0.00 0.00 0.00 36.38 33.10 1iqa s VAL 241 CO 0.02 0.15 -0.06 -0.69 0.00 0.00 0.00 175.10 174.51 1iqa s VAL 242 N 1.57 3.78 -0.15 2.92 1.01 0.81 0.13 120.40 130.47 1iqa s VAL 242 Ca 0.04 -0.45 -0.03 0.00 0.00 0.00 0.00 61.98 61.54 1iqa s VAL 242 Cb -0.17 -2.55 -0.03 0.00 0.00 0.00 0.00 36.38 33.64 1iqa s VAL 242 CO 0.04 0.60 -0.04 -0.75 0.00 0.00 0.00 175.10 174.95 1iqa s LYS 243 N -0.82 3.58 0.04 2.72 2.20 -0.25 -0.93 119.74 126.28 1iqa s LYS 243 Ca 0.12 -0.52 0.06 0.00 -0.36 0.00 0.00 55.97 55.28 1iqa s LYS 243 Cb -0.11 -2.88 -0.02 0.00 -1.51 0.00 0.00 37.83 33.31 1iqa s LYS 243 CO 0.02 0.29 -0.18 0.95 -0.36 0.00 0.00 175.35 176.07 1iqa s THR 244 N 0.22 1.42 -0.32 3.43 -4.23 0.61 -1.84 115.64 114.92 1iqa s THR 244 Ca -0.02 -1.07 -0.13 0.00 -1.18 0.00 0.00 61.69 59.29 1iqa s THR 244 Cb -0.14 -1.24 -0.03 0.00 1.34 0.00 0.00 72.50 72.43 1iqa s THR 244 CO 0.03 0.15 0.24 -0.44 -0.54 0.00 0.00 174.62 174.06 1iqa s SER 245 N -1.07 6.07 0.55 3.99 0.01 -1.18 0.02 113.70 122.09 1iqa s SER 245 Ca 0.05 -0.28 0.24 0.00 1.31 0.00 0.00 55.95 57.27 1iqa s SER 245 Cb -0.08 -2.14 1.54 0.00 0.21 0.00 0.00 66.02 65.54 1iqa s SER 245 CO 0.01 -0.20 2.18 0.40 0.41 0.00 0.00 173.24 176.04 1iqa h ILE 246 N 5.46 0.73 0.00 1.44 2.04 -1.89 -0.40 117.51 124.89 1iqa h ILE 246 Ca -0.32 -0.13 0.00 0.00 1.00 0.00 0.00 64.86 65.41 1iqa h ILE 246 Cb 1.16 1.08 0.00 0.00 -0.74 0.00 0.00 36.82 38.32 1iqa h ILE 246 CO 0.62 0.03 0.00 0.29 0.00 0.00 0.00 178.15 179.09 1iqa n LYS 247 N -4.07 0.00 -3.46 2.37 4.76 -1.26 -4.63 118.16 111.87 1iqa n LYS 247 Ca -0.03 0.36 -0.42 0.00 -2.87 0.00 0.00 58.31 55.36 1iqa n LYS 247 Cb 0.12 -0.85 -0.03 0.00 -1.84 0.00 0.00 35.03 32.43 1iqa n LYS 247 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1iqa s ILE 248 N -0.88 5.27 -0.10 -0.18 1.01 -1.19 -4.94 121.20 120.18 1iqa s ILE 248 Ca 0.00 -3.48 0.00 0.00 0.00 0.00 0.00 60.65 57.17 1iqa s ILE 248 Cb 0.00 -4.21 0.00 0.00 0.01 0.00 0.00 42.46 38.26 1iqa s ILE 248 CO 0.00 -1.12 0.00 -2.65 0.00 0.00 0.00 174.94 171.17 1iqa n PRO 249 N 2.72 0.00 -2.23 2.79 -0.02 -0.16 -3.92 135.00 134.17 1iqa n PRO 249 Ca 0.21 0.00 -0.38 0.00 -2.02 0.00 0.00 63.50 61.31 1iqa n PRO 249 Cb 0.39 -0.61 -0.01 0.00 -0.02 0.00 0.00 33.50 33.25 1iqa n PRO 249 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1iqa s SER 250 N -0.05 6.39 -0.11 2.55 1.04 -1.26 -4.74 113.70 117.52 1iqa s SER 250 Ca 0.00 2.41 0.01 0.00 0.48 0.00 0.00 55.95 58.84 1iqa s SER 250 Cb 0.00 -2.62 0.02 0.00 0.10 0.00 0.00 66.02 63.52 1iqa s SER 250 CO 0.00 -0.77 -0.11 -0.94 0.98 0.00 0.00 173.24 172.40 1iqa s SER 251 N -1.10 2.22 0.02 7.02 1.04 -1.26 -3.07 113.70 118.58 1iqa s SER 251 Ca 0.58 -0.36 0.00 0.00 0.48 0.00 0.00 55.95 56.66 1iqa s SER 251 Cb -0.32 -0.94 -0.02 0.00 0.10 0.00 0.00 66.02 64.84 1iqa s SER 251 CO 0.40 -0.05 -0.04 -1.00 0.98 0.00 0.00 173.24 173.53 1iqa s HIS 252 N 1.31 0.32 0.05 5.02 3.76 -0.77 -4.98 115.29 120.01 1iqa s HIS 252 Ca -0.01 -0.55 -0.31 0.00 -0.15 0.00 0.00 55.06 54.04 1iqa s HIS 252 Cb -0.14 -0.22 -0.07 0.00 1.11 0.00 0.00 32.58 33.26 1iqa s HIS 252 CO -0.05 -0.19 1.49 -0.80 -0.85 0.00 0.00 174.74 174.35 1iqa s ASN 253 N -1.54 6.75 0.22 1.40 0.01 -1.26 -1.09 114.94 119.42 1iqa s ASN 253 Ca -0.14 2.30 0.24 0.00 -0.71 0.00 0.00 52.86 54.55 1iqa s ASN 253 Cb -0.09 -2.57 0.37 0.00 0.41 0.00 0.00 41.25 39.37 1iqa s ASN 253 CO -0.01 -0.77 1.42 -0.07 -1.51 0.00 0.00 177.10 176.16 1iqa h LEU 254 N 8.07 0.00 -7.00 0.60 3.38 -0.66 -3.47 115.31 116.22 1iqa h LEU 254 Ca -0.40 -0.08 0.14 0.00 0.09 0.00 0.00 57.88 57.63 1iqa h LEU 254 Cb 1.19 0.00 -0.28 0.00 0.09 0.00 0.00 40.66 41.66 1iqa h LEU 254 CO 0.91 0.04 0.71 -0.75 0.09 0.00 0.00 178.44 179.43 1iqa s LYS 256 N -3.20 0.28 0.18 1.13 2.20 -1.26 -5.01 119.74 114.06 1iqa s LYS 256 Ca 0.06 0.23 -0.17 0.00 -0.36 0.00 0.00 55.97 55.73 1iqa s LYS 256 Cb 0.11 0.14 0.03 0.00 -1.51 0.00 0.00 37.83 36.59 1iqa s LYS 256 CO 0.70 -0.05 0.49 0.20 -0.36 0.00 0.00 175.35 176.33 1iqa s GLY 257 N -0.27 -0.11 0.00 5.54 0.00 -0.70 -5.00 107.32 106.78 1iqa s GLY 257 Ca 0.05 -0.21 0.00 0.00 0.00 0.00 0.00 44.72 44.56 1iqa s GLY 257 CO -0.09 -0.29 0.00 0.61 0.00 0.00 0.00 173.10 173.34 1iqa n GLY 258 N -0.32 0.22 3.60 0.20 0.00 -1.26 -1.01 105.19 106.62 1iqa n GLY 258 Ca -0.11 -1.58 -0.08 0.00 0.00 0.00 0.00 46.02 44.25 1iqa n GLY 258 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1iqa s SER 259 N -4.00 -0.27 0.13 1.61 0.15 -0.06 -5.03 113.70 106.22 1iqa s SER 259 Ca 0.00 0.33 -0.19 0.00 0.70 0.00 0.00 55.95 56.79 1iqa s SER 259 Cb 0.00 0.27 -0.07 0.00 -1.71 0.00 0.00 66.02 64.51 1iqa s SER 259 CO 0.00 -0.23 0.63 0.42 1.20 0.00 0.00 173.24 175.26 1iqa s THR 260 N -0.90 4.67 -0.00 6.45 -4.23 -1.26 -1.41 115.64 118.97 1iqa s THR 260 Ca 0.02 1.23 0.02 0.00 -1.18 0.00 0.00 61.69 61.78 1iqa s THR 260 Cb -0.01 -3.90 -0.01 0.00 1.34 0.00 0.00 72.50 69.92 1iqa s THR 260 CO -0.03 0.43 -0.06 -0.54 -0.54 0.00 0.00 174.62 173.88 1iqa s LYS 261 N -1.44 0.50 -0.43 3.99 -0.14 0.12 -4.97 119.74 117.38 1iqa s LYS 261 Ca 0.34 -0.27 -0.07 0.00 -1.36 0.00 0.00 55.97 54.61 1iqa s LYS 261 Cb -0.19 -0.47 0.10 0.00 -1.68 0.00 0.00 37.83 35.59 1iqa s LYS 261 CO 0.20 0.13 0.27 1.21 -0.76 0.00 0.00 175.35 176.40 1iqa s ASN 262 N -0.27 5.55 -0.36 2.83 3.84 -1.26 -0.40 114.94 124.87 1iqa s ASN 262 Ca 0.01 -1.76 0.07 0.00 0.21 0.00 0.00 52.86 51.40 1iqa s ASN 262 Cb -0.03 -1.95 0.69 0.00 -0.55 0.00 0.00 41.25 39.41 1iqa s ASN 262 CO -0.00 -0.58 1.82 0.79 -2.79 0.00 0.00 177.10 176.33 1iqa n TRP 263 N 4.83 2.63 -1.22 0.43 7.02 -0.40 -5.00 117.44 125.74 1iqa n TRP 263 Ca -0.08 -1.43 -0.36 0.00 -1.02 0.00 0.00 57.50 54.61 1iqa n TRP 263 Cb 0.42 -0.78 0.06 0.00 -2.42 0.00 0.00 31.31 28.59 1iqa n TRP 263 CO 0.00 0.00 0.00 0.43 -2.02 0.00 0.00 177.69 176.10 1iqa n SER 264 N -0.52 -1.87 -4.34 -0.99 7.64 -1.26 -4.89 113.62 107.40 1iqa n SER 264 Ca 0.47 0.56 -0.41 0.00 1.01 0.00 0.00 58.87 60.49 1iqa n SER 264 Cb 1.47 -1.14 0.00 0.00 -1.01 0.00 0.00 64.21 63.54 1iqa n SER 264 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1iqa n GLY 265 N 1.87 -2.46 1.02 0.23 0.00 -1.26 -4.39 105.19 100.21 1iqa n GLY 265 Ca 0.09 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1iqa n GLY 265 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1iqa n ASN 266 N 2.02 -1.36 -3.70 1.61 4.13 -1.26 -5.08 115.26 111.62 1iqa n ASN 266 Ca 0.11 0.00 -0.13 0.00 1.68 0.00 0.00 54.58 56.24 1iqa n ASN 266 Cb 0.41 -0.34 -0.13 0.00 -1.54 0.00 0.00 39.78 38.18 1iqa n ASN 266 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 1iqa s SER 267 N -2.68 0.03 0.23 6.41 0.01 -1.26 -5.07 113.70 111.37 1iqa s SER 267 Ca 0.00 0.54 -0.01 0.00 1.31 0.00 0.00 55.95 57.79 1iqa s SER 267 Cb 0.00 0.51 0.26 0.00 0.21 0.00 0.00 66.02 67.00 1iqa s SER 267 CO 0.00 -0.20 1.62 -0.33 0.41 0.00 0.00 173.24 174.74 1iqa h GLU 268 N 7.68 0.54 -4.26 12.44 5.08 -1.96 -3.43 114.58 130.67 1iqa h GLU 268 Ca -0.29 -0.26 -0.20 0.00 -1.00 0.00 0.00 59.36 57.61 1iqa h GLU 268 Cb 1.14 -0.00 -0.20 0.00 0.50 0.00 0.00 28.75 30.18 1iqa h GLU 268 CO 0.27 0.83 -0.71 0.12 -1.00 0.00 0.00 179.01 178.53 1iqa s PHE 269 N -4.30 0.48 -0.02 4.33 5.36 -1.26 -0.50 117.98 122.07 1iqa s PHE 269 Ca -0.07 -0.61 -0.02 0.00 -0.96 0.00 0.00 56.93 55.27 1iqa s PHE 269 Cb 0.13 -0.31 0.00 0.00 -0.34 0.00 0.00 43.02 42.50 1iqa s PHE 269 CO 0.82 -0.17 0.04 -1.01 -1.46 0.00 0.00 175.22 173.44 1iqa s HIS 270 N -1.89 -0.05 0.02 10.12 3.76 0.24 -5.00 115.29 122.49 1iqa s HIS 270 Ca -0.09 0.12 -0.12 0.00 -0.15 0.00 0.00 55.06 54.82 1iqa s HIS 270 Cb -0.07 0.02 0.01 0.00 1.11 0.00 0.00 32.58 33.65 1iqa s HIS 270 CO -0.02 -0.02 0.26 0.12 -0.85 0.00 0.00 174.74 174.22 1iqa s PHE 271 N 0.02 -0.06 -0.29 1.40 5.36 -1.26 -0.33 117.98 122.82 1iqa s PHE 271 Ca -0.00 -0.04 -0.16 0.00 -0.96 0.00 0.00 56.93 55.77 1iqa s PHE 271 Cb -0.00 0.04 0.16 0.00 -0.34 0.00 0.00 43.02 42.88 1iqa s PHE 271 CO 0.00 -0.43 1.02 -0.47 -1.46 0.00 0.00 175.22 173.88 1iqa s TYR 272 N -2.12 -0.49 0.18 10.12 5.04 -0.52 -5.00 117.35 124.55 1iqa s TYR 272 Ca -0.08 0.99 0.08 0.00 -2.44 0.00 0.00 57.07 55.62 1iqa s TYR 272 Cb -0.03 0.30 -0.04 0.00 0.35 0.00 0.00 41.96 42.54 1iqa s TYR 272 CO -0.01 -0.25 -0.06 -1.54 -1.34 0.00 0.00 175.55 172.35 1iqa s SER 273 N 1.30 4.41 0.02 4.32 1.04 -1.26 -0.84 113.70 122.69 1iqa s SER 273 Ca -0.09 -0.52 0.05 0.00 0.48 0.00 0.00 55.95 55.87 1iqa s SER 273 Cb -0.03 -0.81 -0.02 0.00 0.10 0.00 0.00 66.02 65.26 1iqa s SER 273 CO -0.14 0.10 -0.15 -0.63 0.98 0.00 0.00 173.24 173.39 1iqa s ILE 274 N -1.72 1.21 0.01 -1.02 1.01 0.50 -4.96 121.20 116.22 1iqa s ILE 274 Ca 0.26 -0.86 0.02 0.00 0.00 0.00 0.00 60.65 60.07 1iqa s ILE 274 Cb -0.09 -1.05 -0.01 0.00 0.01 0.00 0.00 42.46 41.33 1iqa s ILE 274 CO 0.16 0.18 -0.06 0.21 0.00 0.00 0.00 174.94 175.43 1iqa s ASN 275 N -0.79 0.72 0.04 3.58 3.84 -1.26 0.18 114.94 121.25 1iqa s ASN 275 Ca 0.04 -0.20 0.00 0.00 0.21 0.00 0.00 52.86 52.91 1iqa s ASN 275 Cb -0.07 -0.05 -0.03 0.00 -0.55 0.00 0.00 41.25 40.55 1iqa s ASN 275 CO 0.01 0.01 -0.04 0.68 -2.79 0.00 0.00 177.10 174.97 1iqa s VAL 276 N -0.39 0.25 -0.03 -5.21 -7.23 -0.77 -4.96 120.40 102.05 1iqa s VAL 276 Ca -0.00 -1.35 -0.28 0.00 -1.81 0.00 0.00 61.98 58.54 1iqa s VAL 276 Cb -0.04 -0.88 0.06 0.00 0.56 0.00 0.00 36.38 36.08 1iqa s VAL 276 CO -0.00 -0.70 0.63 -0.83 -0.31 0.00 0.00 175.10 173.88 1iqa s GLY 277 N -2.14 -0.53 -0.24 2.32 0.00 -1.26 -2.28 107.32 103.18 1iqa s GLY 277 Ca -0.05 1.11 -0.37 0.00 0.00 0.00 0.00 44.72 45.41 1iqa s GLY 277 CO -0.04 0.77 1.34 -0.32 0.00 0.00 0.00 173.10 174.85 1iqa s GLY 278 N -1.37 -0.25 -0.24 0.20 0.00 -0.54 -5.00 107.32 100.11 1iqa s GLY 278 Ca -0.10 1.72 -0.07 0.00 0.00 0.00 0.00 44.72 46.27 1iqa s GLY 278 CO 0.07 0.56 0.07 -0.12 0.00 0.00 0.00 173.10 173.68 1iqa s PHE 279 N -2.14 3.10 0.05 1.90 5.36 -1.26 0.09 117.98 125.08 1iqa s PHE 279 Ca 0.12 -0.35 0.04 0.00 -0.96 0.00 0.00 56.93 55.77 1iqa s PHE 279 Cb -0.00 -2.22 -0.02 0.00 -0.34 0.00 0.00 43.02 40.43 1iqa s PHE 279 CO -0.03 -0.29 -0.11 -0.06 -1.46 0.00 0.00 175.22 173.26 1iqa s PHE 280 N 1.48 0.95 -0.26 10.12 0.40 0.76 -4.96 117.98 126.46 1iqa s PHE 280 Ca 0.06 -0.43 -0.23 0.00 -0.60 0.00 0.00 56.93 55.72 1iqa s PHE 280 Cb -0.15 -0.55 -0.01 0.00 0.51 0.00 0.00 43.02 42.82 1iqa s PHE 280 CO 0.04 -0.01 0.78 0.21 0.70 0.00 0.00 175.22 176.94 1iqa s LYS 281 N -1.45 4.11 0.03 0.44 2.20 -1.26 -0.51 119.74 123.30 1iqa s LYS 281 Ca -0.04 0.77 0.09 0.00 -0.36 0.00 0.00 55.97 56.42 1iqa s LYS 281 Cb -0.09 -3.67 -0.03 0.00 -1.51 0.00 0.00 37.83 32.54 1iqa s LYS 281 CO 0.01 -0.54 -0.26 -0.51 -0.36 0.00 0.00 175.35 173.70 1iqa s LEU 282 N 2.80 2.14 -0.03 5.43 1.43 0.14 -4.98 118.68 125.61 1iqa s LEU 282 Ca 0.32 -0.56 0.01 0.00 -1.03 0.00 0.00 54.13 52.88 1iqa s LEU 282 Cb -0.15 -1.26 -0.03 0.00 0.03 0.00 0.00 46.19 44.78 1iqa s LEU 282 CO 0.09 0.26 -0.04 -0.13 0.23 0.00 0.00 176.35 176.76 1iqa s ARG 283 N -1.10 2.72 0.28 1.70 3.00 -1.26 -1.09 118.95 123.20 1iqa s ARG 283 Ca 0.11 -0.60 -0.29 0.00 0.00 0.00 0.00 55.73 54.94 1iqa s ARG 283 Cb -0.10 -2.61 -0.14 0.00 0.00 0.00 0.00 34.95 32.11 1iqa s ARG 283 CO 0.01 0.64 1.22 0.00 0.00 0.00 0.00 175.30 177.18 1iqa n ALA 284 N 1.81 0.54 0.00 2.13 0.00 -1.26 -0.92 120.51 122.81 1iqa n ALA 284 Ca -0.16 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.67 1iqa n ALA 284 Cb 0.53 -2.16 0.00 0.00 0.00 0.00 0.00 19.45 17.82 1iqa n ALA 284 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1iqa n GLY 285 N 1.43 2.71 3.80 0.00 0.00 0.14 -4.96 105.19 108.30 1iqa n GLY 285 Ca 0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.77 1iqa n GLY 285 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1iqa s GLU 286 N -0.24 3.97 -0.02 1.61 2.02 -0.10 -2.92 118.70 123.02 1iqa s GLU 286 Ca 0.00 1.33 0.06 0.00 0.02 0.00 0.00 54.97 56.38 1iqa s GLU 286 Cb 0.00 -2.20 -0.01 0.00 0.10 0.00 0.00 34.13 32.01 1iqa s GLU 286 CO 0.00 -0.28 -0.20 -1.21 0.02 0.00 0.00 175.26 173.59 1iqa s GLU 287 N -3.07 1.65 -0.17 1.61 2.02 0.10 -0.36 118.70 120.48 1iqa s GLU 287 Ca 0.64 -0.71 -0.04 0.00 0.02 0.00 0.00 54.97 54.89 1iqa s GLU 287 Cb -0.16 -1.57 -0.02 0.00 0.10 0.00 0.00 34.13 32.48 1iqa s GLU 287 CO 0.20 0.41 -0.04 0.42 0.02 0.00 0.00 175.26 176.27 1iqa s ILE 288 N -0.41 3.75 0.17 -1.63 -1.09 0.26 -0.29 121.20 121.96 1iqa s ILE 288 Ca 0.06 -0.40 0.04 0.00 -2.23 0.00 0.00 60.65 58.13 1iqa s ILE 288 Cb -0.08 -2.66 -0.05 0.00 -1.58 0.00 0.00 42.46 38.09 1iqa s ILE 288 CO -0.00 0.47 -0.07 -0.94 -1.23 0.00 0.00 174.94 173.16 1iqa s SER 289 N 0.69 1.75 -0.18 3.58 1.04 -0.10 -0.90 113.70 119.58 1iqa s SER 289 Ca -0.02 -1.07 -0.02 0.00 0.48 0.00 0.00 55.95 55.32 1iqa s SER 289 Cb -0.14 0.01 -0.01 0.00 0.10 0.00 0.00 66.02 65.97 1iqa s SER 289 CO 0.02 -0.39 -0.10 -0.63 0.98 0.00 0.00 173.24 173.12 1iqa s ILE 290 N -3.38 3.08 -0.01 -1.02 -1.09 -1.26 -0.13 121.20 117.39 1iqa s ILE 290 Ca 0.20 -0.62 0.04 0.00 -2.23 0.00 0.00 60.65 58.04 1iqa s ILE 290 Cb 0.04 -2.35 -0.03 0.00 -1.58 0.00 0.00 42.46 38.54 1iqa s ILE 290 CO 0.02 0.48 -0.11 -1.10 -1.23 0.00 0.00 174.94 173.01 1iqa s GLN 291 N 0.95 2.48 0.09 2.79 -0.21 -0.25 -0.51 119.66 125.00 1iqa s GLN 291 Ca -0.02 -0.74 -0.01 0.00 0.02 0.00 0.00 55.36 54.62 1iqa s GLN 291 Cb -0.15 -2.43 -0.04 0.00 1.00 0.00 0.00 33.01 31.40 1iqa s GLN 291 CO -0.01 0.60 -0.00 0.14 -2.12 0.00 0.00 175.29 173.91 1iqa s VAL 292 N -0.89 0.26 0.54 1.09 -7.23 -0.36 -0.41 120.40 113.40 1iqa s VAL 292 Ca 0.15 -1.87 0.04 0.00 -1.81 0.00 0.00 61.98 58.48 1iqa s VAL 292 Cb -0.11 -1.76 0.05 0.00 0.56 0.00 0.00 36.38 35.12 1iqa s VAL 292 CO 0.05 -0.77 0.75 -0.94 -0.31 0.00 0.00 175.10 173.88 1iqa s SER 293 N -3.00 5.23 -1.01 4.85 1.04 -1.26 -0.84 113.70 118.72 1iqa s SER 293 Ca 0.15 -0.28 -0.16 0.00 0.48 0.00 0.00 55.95 56.14 1iqa s SER 293 Cb 0.07 -0.55 0.02 0.00 0.10 0.00 0.00 66.02 65.66 1iqa s SER 293 CO -0.04 -1.16 0.30 0.59 0.98 0.00 0.00 173.24 173.90 1iqa n ASN 294 N -2.26 -1.48 0.02 7.02 4.13 -0.97 -4.80 115.26 116.92 1iqa n ASN 294 Ca 0.10 -0.97 0.05 0.00 1.68 0.00 0.00 54.58 55.44 1iqa n ASN 294 Cb 0.60 -1.18 0.24 0.00 -1.54 0.00 0.00 39.78 37.90 1iqa n ASN 294 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 1iqa n PRO 295 N -3.89 0.03 0.00 3.52 -0.04 -1.24 -1.18 135.00 132.19 1iqa n PRO 295 Ca -0.15 0.37 0.14 0.00 -0.04 0.00 0.00 63.50 63.82 1iqa n PRO 295 Cb 0.46 -1.56 0.68 0.00 -0.04 0.00 0.00 33.50 33.04 1iqa n PRO 295 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1iqa n SER 296 N -1.61 0.00 -1.03 3.54 3.41 -1.25 -2.85 113.62 113.84 1iqa n SER 296 Ca 0.02 0.04 0.12 0.00 -0.26 0.00 0.00 58.87 58.79 1iqa n SER 296 Cb 0.11 -0.34 0.16 0.00 -0.26 0.00 0.00 64.21 63.88 1iqa n SER 296 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1iqa n LEU 297 N -1.34 3.15 -4.76 1.04 4.77 -0.33 -4.99 117.00 114.54 1iqa n LEU 297 Ca 0.12 -1.19 -0.39 0.00 -0.03 0.00 0.00 56.01 54.52 1iqa n LEU 297 Cb 0.25 -0.11 0.02 0.00 -2.33 0.00 0.00 43.42 41.26 1iqa n LEU 297 CO 0.23 0.60 1.00 -0.76 -1.33 0.00 0.00 177.39 177.13 1iqa s LEU 298 N -1.78 4.00 -0.16 2.23 1.43 -1.13 -0.70 118.68 122.56 1iqa s LEU 298 Ca 0.33 2.78 -0.24 0.00 -1.03 0.00 0.00 54.13 55.97 1iqa s LEU 298 Cb 0.21 -4.10 -0.02 0.00 0.03 0.00 0.00 46.19 42.31 1iqa s LEU 298 CO 0.31 -1.30 0.77 -0.62 0.23 0.00 0.00 176.35 175.73 1iqa s ASP 299 N -0.79 6.90 0.38 2.29 -1.08 0.18 -4.77 116.67 119.78 1iqa s ASP 299 Ca 0.65 1.10 0.26 0.00 -0.52 0.00 0.00 52.55 54.04 1iqa s ASP 299 Cb -0.41 -2.42 0.77 0.00 -1.46 0.00 0.00 42.92 39.40 1iqa s ASP 299 CO 0.50 -0.33 1.75 1.55 0.52 0.00 0.00 175.17 179.16 1iqa h PRO 300 N 7.29 0.00 -6.99 4.34 0.13 -1.93 -3.38 132.00 131.46 1iqa h PRO 300 Ca -0.31 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.25 1iqa h PRO 300 Cb 1.14 0.00 0.16 0.00 0.13 0.00 0.00 31.00 32.44 1iqa h PRO 300 CO 0.81 0.00 0.31 -0.25 -0.23 0.00 0.00 178.00 178.64 1iqa n ASP 301 N -2.76 1.36 0.25 1.44 9.92 -1.26 -4.79 116.55 120.71 1iqa n ASP 301 Ca 0.03 0.79 0.14 0.00 -0.53 0.00 0.00 54.79 55.23 1iqa n ASP 301 Cb 0.42 -1.48 0.43 0.00 -0.64 0.00 0.00 41.12 39.85 1iqa n ASP 301 CO 0.00 0.00 0.00 0.06 0.13 0.00 0.00 177.20 177.39 1iqa h GLN 302 N 0.36 0.00 0.00 -1.24 3.07 -1.90 -2.65 115.11 112.75 1iqa h GLN 302 Ca -0.50 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.24 1iqa h GLN 302 Cb 1.35 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.91 1iqa h GLN 302 CO 0.51 0.01 -0.28 -0.40 0.09 0.00 0.00 178.83 178.76 1iqa n ASP 303 N -3.10 0.35 -0.11 0.06 5.75 -1.26 -4.36 116.55 113.87 1iqa n ASP 303 Ca 0.02 0.14 -0.19 0.00 -0.01 0.00 0.00 54.79 54.75 1iqa n ASP 303 Cb 0.42 -0.13 -0.08 0.00 -1.03 0.00 0.00 41.12 40.30 1iqa n ASP 303 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1iqa n ALA 304 N -1.56 0.85 -3.97 2.12 0.00 -1.03 -4.94 120.51 111.98 1iqa n ALA 304 Ca 0.06 -0.69 -0.31 0.00 0.00 0.00 0.00 53.44 52.51 1iqa n ALA 304 Cb 0.35 -0.18 -0.15 0.00 0.00 0.00 0.00 19.45 19.47 1iqa n ALA 304 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1iqa s THR 305 N -2.45 1.67 0.31 0.00 2.01 -1.05 -3.05 115.64 113.08 1iqa s THR 305 Ca -0.29 -1.30 -0.19 0.00 0.31 0.00 0.00 61.69 60.22 1iqa s THR 305 Cb 0.07 -1.89 0.04 0.00 0.01 0.00 0.00 72.50 70.73 1iqa s THR 305 CO 0.47 -0.08 0.78 -0.72 -0.69 0.00 0.00 174.62 174.38 1iqa s TYR 306 N 1.33 -0.06 0.04 4.92 -0.85 -0.28 -2.02 117.35 120.44 1iqa s TYR 306 Ca -0.06 -0.47 -0.27 0.00 -0.52 0.00 0.00 57.07 55.75 1iqa s TYR 306 Cb -0.19 0.75 0.08 0.00 0.38 0.00 0.00 41.96 42.98 1iqa s TYR 306 CO -0.06 -1.32 0.71 -0.59 -1.52 0.00 0.00 175.55 172.77 1iqa s PHE 307 N -3.19 -0.52 0.15 -3.49 -0.12 -0.82 -0.19 117.98 109.81 1iqa s PHE 307 Ca 0.13 0.54 -0.12 0.00 -0.05 0.00 0.00 56.93 57.43 1iqa s PHE 307 Cb -0.05 0.51 0.04 0.00 -0.63 0.00 0.00 43.02 42.89 1iqa s PHE 307 CO 0.08 -0.68 0.60 0.41 -0.05 0.00 0.00 175.22 175.58 1iqa n GLY 308 N 0.08 1.01 3.46 1.99 0.00 0.03 -0.21 105.19 111.54 1iqa n GLY 308 Ca -0.15 -1.09 -0.12 0.00 0.00 0.00 0.00 46.02 44.65 1iqa n GLY 308 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iqa s ALA 309 N -1.65 -1.68 -0.27 4.61 0.00 0.37 -1.65 121.76 121.49 1iqa s ALA 309 Ca 0.13 0.76 -0.14 0.00 0.00 0.00 0.00 51.96 52.71 1iqa s ALA 309 Cb -0.02 0.60 0.09 0.00 0.00 0.00 0.00 23.12 23.79 1iqa s ALA 309 CO 0.05 -0.67 0.64 -0.59 0.00 0.00 0.00 175.76 175.18 1iqa s PHE 310 N -3.11 -1.05 0.24 0.00 -0.12 -0.85 -1.04 117.98 112.05 1iqa s PHE 310 Ca -0.01 2.05 -0.30 0.00 -0.05 0.00 0.00 56.93 58.62 1iqa s PHE 310 Cb -0.01 0.61 -0.10 0.00 -0.63 0.00 0.00 43.02 42.89 1iqa s PHE 310 CO -0.08 -0.53 1.52 0.21 -0.05 0.00 0.00 175.22 176.29 1iqa s LYS 311 N 1.88 4.22 -0.22 1.99 2.20 -1.10 -1.48 119.74 127.22 1iqa s LYS 311 Ca -0.09 2.39 0.03 0.00 -0.36 0.00 0.00 55.97 57.93 1iqa s LYS 311 Cb -0.07 -3.10 -0.15 0.00 -1.51 0.00 0.00 37.83 33.00 1iqa s LYS 311 CO -0.19 -0.53 -0.19 0.28 -0.36 0.00 0.00 175.35 174.37 1iqa n VAL 312 N 2.78 1.30 -3.72 4.02 0.31 0.18 -4.91 118.33 118.28 1iqa n VAL 312 Ca 0.09 -0.51 -0.05 0.00 -0.01 0.00 0.00 64.34 63.86 1iqa n VAL 312 Cb 0.39 -1.26 -0.02 0.00 -0.91 0.00 0.00 33.84 32.04 1iqa n VAL 312 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1iqa s GLN 313 N -2.45 1.27 0.61 5.55 -2.07 -1.17 -5.01 119.66 116.39 1iqa s GLN 313 Ca -0.29 -0.66 -0.11 0.00 -1.82 0.00 0.00 55.36 52.47 1iqa s GLN 313 Cb 0.08 0.46 -0.04 0.00 -1.09 0.00 0.00 33.01 32.41 1iqa s GLN 313 CO 0.54 -0.58 1.03 -0.51 -1.32 0.00 0.00 175.29 174.44 1iqa s ASP 314 N -2.86 6.26 -0.09 12.60 1.11 -1.26 -0.48 116.67 131.95 1iqa s ASP 314 Ca 0.10 1.43 -0.37 0.00 0.18 0.00 0.00 52.55 53.90 1iqa s ASP 314 Cb -0.02 -2.47 -0.14 0.00 1.07 0.00 0.00 42.92 41.35 1iqa s ASP 314 CO 0.01 -0.85 1.70 -0.38 1.18 0.00 0.00 175.17 176.82 1iqa n ILE 315 N -2.66 0.30 -1.52 0.77 2.08 -1.26 -4.68 119.36 112.39 1iqa n ILE 315 Ca 0.06 -0.05 0.00 0.00 0.56 0.00 0.00 62.75 63.32 1iqa n ILE 315 Cb 0.54 -1.41 0.00 0.00 -0.75 0.00 0.00 39.64 38.02 1iqa n ILE 315 CO 0.00 0.00 0.00 -0.90 0.56 0.00 0.00 176.55 176.21