#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yqa n ALA 172 N 0.00 7.00 -1.15 0.58 0.00 -1.26 -4.82 120.51 120.86 1yqa n ALA 172 Ca 0.00 -3.64 -0.33 0.00 0.00 0.00 0.00 53.44 49.47 1yqa n ALA 172 Cb 0.00 -3.41 -0.04 0.00 0.00 0.00 0.00 19.45 16.01 1yqa n ALA 172 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1yqa n SER 173 N 4.24 7.63 -4.71 0.00 7.64 -1.26 -4.93 113.62 122.22 1yqa n SER 173 Ca 0.71 -2.50 -0.42 0.00 1.01 0.00 0.00 58.87 57.67 1yqa n SER 173 Cb 0.28 -1.43 -0.03 0.00 -1.01 0.00 0.00 64.21 62.01 1yqa n SER 173 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1yqa s SER 174 N 2.45 6.74 0.00 6.43 1.04 -1.26 -5.01 113.70 124.09 1yqa s SER 174 Ca 0.62 2.41 0.00 0.00 0.48 0.00 0.00 55.95 59.46 1yqa s SER 174 Cb 0.17 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 63.70 1yqa s SER 174 CO -0.05 -0.72 0.00 -0.81 0.98 0.00 0.00 173.24 172.64 1yqa n PRO 175 N 4.13 3.80 -0.42 4.02 -0.04 -1.26 -4.85 135.00 140.37 1yqa n PRO 175 Ca 0.13 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.59 1yqa n PRO 175 Cb 0.41 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.87 1yqa n PRO 175 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1yqa n SER 176 N 0.00 0.00 -3.66 3.54 2.88 -1.26 -4.38 113.62 110.74 1yqa n SER 176 Ca 0.00 -0.34 -0.28 0.00 -1.33 0.00 0.00 58.87 56.92 1yqa n SER 176 Cb 0.00 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1yqa n SER 176 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1yqa n SER 177 N -0.49 -3.93 -4.54 -3.46 3.41 -1.26 -4.96 113.62 98.39 1yqa n SER 177 Ca 0.00 -0.61 -0.30 0.00 -0.26 0.00 0.00 58.87 57.71 1yqa n SER 177 Cb 0.00 -3.21 -0.11 0.00 -0.26 0.00 0.00 64.21 60.63 1yqa n SER 177 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1yqa s LEU 178 N -6.83 2.89 0.72 1.04 1.43 -1.26 -5.11 118.68 111.56 1yqa s LEU 178 Ca 0.53 -0.45 -0.15 0.00 -1.03 0.00 0.00 54.13 53.03 1yqa s LEU 178 Cb -0.28 -1.70 0.04 0.00 0.03 0.00 0.00 46.19 44.27 1yqa s LEU 178 CO 0.66 0.18 1.17 -0.89 0.23 0.00 0.00 176.35 177.70 1yqa s THR 179 N -1.17 2.58 0.21 5.49 2.01 -1.26 -4.65 115.64 118.84 1yqa s THR 179 Ca 0.20 0.27 -0.17 0.00 0.31 0.00 0.00 61.69 62.30 1yqa s THR 179 Cb -0.11 -2.79 0.20 0.00 0.01 0.00 0.00 72.50 69.82 1yqa s THR 179 CO 0.12 -0.16 1.60 1.88 -0.69 0.00 0.00 174.62 177.36 1yqa h TYR 180 N -0.33 -0.65 -0.39 4.92 -1.99 -1.99 -0.24 116.97 116.31 1yqa h TYR 180 Ca -0.47 0.07 -0.12 0.00 2.00 0.00 0.00 58.73 60.21 1yqa h TYR 180 Cb 1.28 0.38 -0.01 0.00 2.00 0.00 0.00 36.73 40.38 1yqa h TYR 180 CO 0.50 -0.34 -0.23 1.57 -0.00 0.00 0.00 178.16 179.66 1yqa h LYS 181 N -0.08 0.78 -0.87 4.88 2.10 -1.91 -2.72 116.57 118.75 1yqa h LYS 181 Ca 0.29 -0.32 0.06 0.00 -2.00 0.00 0.00 60.65 58.68 1yqa h LYS 181 Cb 0.53 -0.03 -0.06 0.00 -0.90 0.00 0.00 32.23 31.77 1yqa h LYS 181 CO -0.71 0.93 0.57 0.93 -2.00 0.00 0.00 179.45 179.18 1yqa h GLU 182 N 0.68 0.97 -0.17 0.07 3.07 -1.49 0.22 114.58 117.93 1yqa h GLU 182 Ca 0.09 -0.06 0.02 0.00 -0.50 0.00 0.00 59.36 58.92 1yqa h GLU 182 Cb 0.74 -0.22 -0.02 0.00 -0.84 0.00 0.00 28.75 28.41 1yqa h GLU 182 CO 0.06 0.64 0.03 0.52 -1.40 0.00 0.00 179.01 178.86 1yqa h MET 183 N 1.00 0.10 -0.38 2.33 2.86 -0.79 -2.02 114.93 118.02 1yqa h MET 183 Ca 0.37 -0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.98 1yqa h MET 183 Cb 0.18 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.80 1yqa h MET 183 CO -0.13 0.07 0.14 0.82 1.06 0.00 0.00 176.91 178.87 1yqa h ILE 184 N 0.10 1.20 -0.80 -1.22 2.04 -1.11 -0.35 117.51 117.38 1yqa h ILE 184 Ca 0.08 -0.62 0.13 0.00 1.00 0.00 0.00 64.86 65.45 1yqa h ILE 184 Cb 0.07 0.89 -0.09 0.00 -0.74 0.00 0.00 36.82 36.96 1yqa h ILE 184 CO -0.10 0.22 0.39 -0.07 0.00 0.00 0.00 178.15 178.58 1yqa h LEU 185 N 0.47 0.45 0.07 1.44 3.38 -0.21 0.37 115.31 121.29 1yqa h LEU 185 Ca 0.13 0.09 -0.27 0.00 0.09 0.00 0.00 57.88 57.91 1yqa h LEU 185 Cb 0.21 0.02 0.01 0.00 0.09 0.00 0.00 40.66 40.99 1yqa h LEU 185 CO -0.01 0.20 -1.20 0.50 0.09 0.00 0.00 178.44 178.02 1yqa h LYS 186 N 0.58 0.35 -0.29 1.13 1.63 -1.26 -3.33 116.57 115.38 1yqa h LYS 186 Ca 0.43 -0.53 -0.12 0.00 -0.85 0.00 0.00 60.65 59.57 1yqa h LYS 186 Cb 0.58 0.19 -0.01 0.00 -0.60 0.00 0.00 32.23 32.39 1yqa h LYS 186 CO -0.35 1.23 -0.32 0.77 -3.45 0.00 0.00 179.45 177.33 1yqa h SER 187 N 0.13 0.63 -0.01 4.20 0.02 0.23 -3.32 113.55 115.42 1yqa h SER 187 Ca -0.14 -0.25 0.03 0.00 -0.84 0.00 0.00 61.79 60.60 1yqa h SER 187 Cb 1.90 -0.17 -0.05 0.00 0.14 0.00 0.00 62.40 64.21 1yqa h SER 187 CO 0.21 0.91 -0.34 0.24 -1.14 0.00 0.00 176.83 176.70 1yqa h MET 188 N 0.52 -0.47 -0.27 3.45 2.86 -0.43 0.53 114.93 121.13 1yqa h MET 188 Ca 0.06 0.03 0.08 0.00 -2.06 0.00 0.00 59.70 57.81 1yqa h MET 188 Cb 0.80 0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.56 1yqa h MET 188 CO 0.07 -0.31 0.21 -1.35 1.06 0.00 0.00 176.91 176.58 1yqa h PRO 189 N -0.48 0.00 -0.08 -0.22 0.11 -1.68 -1.85 132.00 127.79 1yqa h PRO 189 Ca 0.06 0.00 -0.22 0.00 0.11 0.00 0.00 66.00 65.95 1yqa h PRO 189 Cb 0.58 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.70 1yqa h PRO 189 CO -0.28 0.00 -0.82 1.96 -0.21 0.00 0.00 178.00 178.65 1yqa h GLN 190 N 0.00 0.70 -5.94 1.05 1.08 -1.29 -3.34 115.11 107.38 1yqa h GLN 190 Ca 0.13 -0.64 -0.60 0.00 -1.45 0.00 0.00 58.65 56.08 1yqa h GLN 190 Cb 0.54 0.16 -0.10 0.00 -0.05 0.00 0.00 27.48 28.03 1yqa h GLN 190 CO -0.00 1.24 0.50 -0.51 -0.95 0.00 0.00 178.83 179.11 1yqa s LEU 191 N -8.33 4.06 0.00 1.46 1.43 0.04 -4.51 118.68 112.83 1yqa s LEU 191 Ca -0.11 0.53 0.00 0.00 -1.03 0.00 0.00 54.13 53.52 1yqa s LEU 191 Cb 0.07 -3.16 0.00 0.00 0.03 0.00 0.00 46.19 43.13 1yqa s LEU 191 CO 0.89 -0.78 0.00 0.59 0.23 0.00 0.00 176.35 177.29 1yqa n ASN 192 N 6.56 0.00 0.00 2.29 3.02 -1.26 -2.48 115.26 123.39 1yqa n ASN 192 Ca 0.05 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.60 1yqa n ASN 192 Cb 0.48 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.65 1yqa n ASN 192 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1yqa n ASP 193 N 1.71 0.00 0.00 6.41 -0.08 -1.25 -4.96 116.55 118.38 1yqa n ASP 193 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1yqa n ASP 193 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 1yqa n ASP 193 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1yqa n GLY 194 N 0.00 0.94 0.29 0.27 0.00 -1.00 -3.92 105.19 101.78 1yqa n GLY 194 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 1yqa n GLY 194 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1yqa h LYS 195 N 0.00 0.62 0.00 1.61 1.57 -1.84 -2.56 116.57 115.97 1yqa h LYS 195 Ca 0.00 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1yqa h LYS 195 Cb 0.00 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.17 1yqa h LYS 195 CO 0.00 0.41 0.00 0.41 -0.57 0.00 0.00 179.45 179.70 1yqa n GLY 196 N -1.32 2.11 2.90 3.86 0.00 -1.26 -4.11 105.19 107.37 1yqa n GLY 196 Ca 0.14 0.05 -0.13 0.00 0.00 0.00 0.00 46.02 46.08 1yqa n GLY 196 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1yqa s SER 197 N 0.00 -0.04 0.63 1.61 0.01 0.12 -4.88 113.70 111.15 1yqa s SER 197 Ca 0.00 0.13 -0.16 0.00 1.31 0.00 0.00 55.95 57.23 1yqa s SER 197 Cb 0.00 0.09 -0.01 0.00 0.21 0.00 0.00 66.02 66.31 1yqa s SER 197 CO 0.00 -0.06 1.14 -0.94 0.41 0.00 0.00 173.24 173.79 1yqa s SER 198 N 0.44 5.13 0.46 2.44 1.04 -1.26 0.01 113.70 121.96 1yqa s SER 198 Ca -0.03 2.14 0.15 0.00 0.48 0.00 0.00 55.95 58.69 1yqa s SER 198 Cb -0.05 -2.57 1.05 0.00 0.10 0.00 0.00 66.02 64.55 1yqa s SER 198 CO -0.02 -1.62 2.01 -0.09 0.98 0.00 0.00 173.24 174.50 1yqa h ARG 199 N 0.36 0.00 -0.25 4.02 2.43 -1.95 0.31 114.38 119.31 1yqa h ARG 199 Ca -0.48 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 58.70 1yqa h ARG 199 Cb 1.26 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.80 1yqa h ARG 199 CO 0.54 0.16 0.14 0.82 -1.51 0.00 0.00 179.97 180.13 1yqa h ILE 200 N 0.00 1.03 -0.07 1.20 2.04 -1.93 0.62 117.51 120.39 1yqa h ILE 200 Ca -0.00 -0.10 -0.02 0.00 1.00 0.00 0.00 64.86 65.73 1yqa h ILE 200 Cb 0.30 0.70 -0.00 0.00 -0.74 0.00 0.00 36.82 37.07 1yqa h ILE 200 CO 0.02 0.05 -0.05 0.58 0.00 0.00 0.00 178.15 178.76 1yqa h VAL 201 N 0.30 1.34 -0.12 1.67 2.07 -1.74 -2.42 116.25 117.35 1yqa h VAL 201 Ca 0.10 -1.10 -0.00 0.00 0.82 0.00 0.00 66.70 66.52 1yqa h VAL 201 Cb -0.00 1.91 -0.01 0.00 -1.52 0.00 0.00 31.29 31.67 1yqa h VAL 201 CO -0.05 0.30 0.06 0.25 0.02 0.00 0.00 177.57 178.16 1yqa h LEU 202 N -0.23 0.15 -0.78 2.57 5.85 -0.14 -0.30 115.31 122.44 1yqa h LEU 202 Ca 0.02 -0.12 -0.10 0.00 0.84 0.00 0.00 57.88 58.52 1yqa h LEU 202 Cb 0.51 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.48 1yqa h LEU 202 CO 0.01 0.23 -0.14 0.50 -0.34 0.00 0.00 178.44 178.70 1yqa h LYS 203 N 0.07 0.78 -0.49 1.25 3.64 0.15 0.25 116.57 122.22 1yqa h LYS 203 Ca 0.04 -0.27 -0.01 0.00 -1.27 0.00 0.00 60.65 59.14 1yqa h LYS 203 Cb 0.11 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.85 1yqa h LYS 203 CO -0.01 0.88 0.25 -0.22 -2.27 0.00 0.00 179.45 178.08 1yqa h LYS 204 N 0.70 0.68 0.02 1.90 3.11 -1.27 -1.19 116.57 120.51 1yqa h LYS 204 Ca 0.11 -0.07 -0.00 0.00 -2.81 0.00 0.00 60.65 57.88 1yqa h LYS 204 Cb 0.62 -0.14 0.00 0.00 -1.00 0.00 0.00 32.23 31.72 1yqa h LYS 204 CO 0.04 0.51 -0.01 -0.92 -2.81 0.00 0.00 179.45 176.27 1yqa h TYR 205 N 0.68 -0.02 -0.77 1.91 3.20 -0.08 -2.96 116.97 118.92 1yqa h TYR 205 Ca 0.17 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 62.07 1yqa h TYR 205 Cb 0.05 0.01 -0.05 0.00 1.54 0.00 0.00 36.73 38.28 1yqa h TYR 205 CO 0.00 0.75 0.49 -0.39 -1.64 0.00 0.00 178.16 177.37 1yqa h VAL 206 N -0.90 1.12 -0.72 1.81 -1.51 -0.45 0.63 116.25 116.22 1yqa h VAL 206 Ca -0.00 -0.33 -0.06 0.00 -1.23 0.00 0.00 66.70 65.08 1yqa h VAL 206 Cb 0.78 0.07 -0.03 0.00 -2.13 0.00 0.00 31.29 29.98 1yqa h VAL 206 CO 0.00 0.17 0.21 0.11 -1.23 0.00 0.00 177.57 176.84 1yqa h LYS 207 N 0.96 1.14 0.15 5.19 1.57 -1.33 0.21 116.57 124.45 1yqa h LYS 207 Ca 0.31 -0.25 -0.27 0.00 -1.87 0.00 0.00 60.65 58.56 1yqa h LYS 207 Cb 0.01 -0.16 0.03 0.00 0.08 0.00 0.00 32.23 32.19 1yqa h LYS 207 CO -0.11 0.98 -1.16 0.22 -0.57 0.00 0.00 179.45 178.81 1yqa h ASP 208 N 1.08 0.75 0.31 0.86 3.58 -1.26 -3.27 116.42 118.48 1yqa h ASP 208 Ca 0.23 -0.87 -0.33 0.00 0.42 0.00 0.00 57.03 56.48 1yqa h ASP 208 Cb 0.33 -0.24 0.01 0.00 1.72 0.00 0.00 39.33 41.15 1yqa h ASP 208 CO -0.00 1.56 -1.58 0.71 -2.88 0.00 0.00 179.24 177.05 1yqa h THR 209 N 0.06 1.14 -3.18 2.25 1.35 -0.91 -3.41 112.91 110.22 1yqa h THR 209 Ca -0.19 -2.69 -0.75 0.00 -0.55 0.00 0.00 66.41 62.24 1yqa h THR 209 Cb 1.87 2.86 -0.25 0.00 -1.73 0.00 0.00 68.15 70.91 1yqa h THR 209 CO 0.22 0.84 -0.28 -0.31 -0.25 0.00 0.00 175.52 175.74 1yqa s TYR 210 N -2.60 3.29 -0.90 4.73 1.51 0.74 -4.77 117.35 119.34 1yqa s TYR 210 Ca -0.11 -1.35 0.11 0.00 -1.01 0.00 0.00 57.07 54.70 1yqa s TYR 210 Cb 0.05 -3.61 0.47 0.00 -0.11 0.00 0.00 41.96 38.77 1yqa s TYR 210 CO 0.89 -0.97 1.34 -2.30 -1.11 0.00 0.00 175.55 173.39 1yqa n PRO 211 N 5.17 0.03 0.03 -1.71 -0.02 -1.26 -2.28 135.00 134.95 1yqa n PRO 211 Ca -0.12 0.38 -0.05 0.00 -2.02 0.00 0.00 63.50 61.68 1yqa n PRO 211 Cb 0.41 -1.56 0.15 0.00 -0.02 0.00 0.00 33.50 32.48 1yqa n PRO 211 CO 0.00 0.00 0.00 -0.84 1.98 0.00 0.00 175.50 176.64 1yqa h ILE 212 N 0.00 1.30 0.00 4.25 3.07 -1.90 -3.28 117.51 120.96 1yqa h ILE 212 Ca 0.00 -1.52 -0.15 0.00 1.55 0.00 0.00 64.86 64.74 1yqa h ILE 212 Cb 0.16 1.57 -0.03 0.00 -0.27 0.00 0.00 36.82 38.25 1yqa h ILE 212 CO 0.00 0.47 -2.04 1.33 -1.05 0.00 0.00 178.15 176.86 1yqa n VAL 213 N -4.04 0.57 -0.97 0.16 0.24 -0.97 -4.72 118.33 108.61 1yqa n VAL 213 Ca -0.01 -0.59 -0.30 0.00 -2.04 0.00 0.00 64.34 61.40 1yqa n VAL 213 Cb 0.49 -0.21 -0.02 0.00 -1.47 0.00 0.00 33.84 32.62 1yqa n VAL 213 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1yqa n GLY 214 N 1.63 3.29 0.76 7.63 0.00 -1.06 -3.27 105.19 114.17 1yqa n GLY 214 Ca -0.15 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 44.79 1yqa n GLY 214 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1yqa n SER 215 N 4.81 0.00 -4.71 1.61 2.88 -1.26 -4.97 113.62 111.98 1yqa n SER 215 Ca 0.51 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.63 1yqa n SER 215 Cb 0.21 0.19 -0.03 0.00 -0.75 0.00 0.00 64.21 63.83 1yqa n SER 215 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1yqa s ALA 216 N -1.87 3.64 0.11 -1.46 0.00 -1.20 -4.92 121.76 116.05 1yqa s ALA 216 Ca 0.00 1.15 -0.04 0.00 0.00 0.00 0.00 51.96 53.07 1yqa s ALA 216 Cb 0.00 -3.57 -0.15 0.00 0.00 0.00 0.00 23.12 19.40 1yqa s ALA 216 CO 0.00 -0.72 1.26 0.66 0.00 0.00 0.00 175.76 176.96 1yqa h SER 217 N 7.04 0.50 0.34 0.00 4.64 -2.00 -3.12 113.55 120.95 1yqa h SER 217 Ca -0.42 -0.44 0.00 0.00 -0.47 0.00 0.00 61.79 60.47 1yqa h SER 217 Cb 1.20 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 63.14 1yqa h SER 217 CO 0.88 1.26 0.00 -0.46 -0.87 0.00 0.00 176.83 177.65 1yqa n ASN 218 N -3.68 0.00 -0.25 4.97 6.94 -1.26 -2.93 115.26 119.04 1yqa n ASN 218 Ca -0.07 0.08 0.10 0.00 -0.02 0.00 0.00 54.58 54.67 1yqa n ASN 218 Cb 0.89 -0.30 0.37 0.00 -2.36 0.00 0.00 39.78 38.38 1yqa n ASN 218 CO 0.00 0.00 0.00 0.15 -1.03 0.00 0.00 177.26 176.38 1yqa h PHE 219 N 0.00 0.81 -0.57 -2.53 3.57 -1.90 -2.47 116.94 113.85 1yqa h PHE 219 Ca 0.00 0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.62 1yqa h PHE 219 Cb 0.17 -0.26 -0.07 0.00 2.79 0.00 0.00 35.95 38.58 1yqa h PHE 219 CO 0.00 0.34 0.18 0.22 -2.23 0.00 0.00 178.31 176.81 1yqa h ASP 220 N 0.72 0.13 -0.13 0.41 1.82 -1.77 0.84 116.42 118.43 1yqa h ASP 220 Ca 0.41 0.09 -0.03 0.00 -0.39 0.00 0.00 57.03 57.11 1yqa h ASP 220 Cb 0.60 0.09 -0.00 0.00 0.68 0.00 0.00 39.33 40.69 1yqa h ASP 220 CO -0.18 0.08 -0.04 0.22 -1.61 0.00 0.00 179.24 177.72 1yqa h TYR 221 N 0.33 0.29 -0.84 0.28 3.20 -1.72 -1.58 116.97 116.94 1yqa h TYR 221 Ca 0.29 -0.06 -0.03 0.00 3.14 0.00 0.00 58.73 62.07 1yqa h TYR 221 Cb 0.38 -0.07 -0.04 0.00 1.54 0.00 0.00 36.73 38.54 1yqa h TYR 221 CO -0.20 0.56 0.42 -0.07 -1.64 0.00 0.00 178.16 177.23 1yqa h LEU 222 N -0.06 1.08 0.03 2.82 3.38 -1.13 0.18 115.31 121.61 1yqa h LEU 222 Ca 0.03 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 1yqa h LEU 222 Cb 0.47 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1yqa h LEU 222 CO 0.01 0.90 -0.02 0.15 0.09 0.00 0.00 178.44 179.58 1yqa h PHE 223 N 1.18 -0.04 -0.73 1.13 3.57 0.70 -1.06 116.94 121.70 1yqa h PHE 223 Ca 0.29 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.82 1yqa h PHE 223 Cb 0.09 0.01 -0.04 0.00 2.79 0.00 0.00 35.95 38.80 1yqa h PHE 223 CO 0.01 0.04 0.48 -0.97 -2.23 0.00 0.00 178.31 175.64 1yqa h ASN 224 N -0.11 0.77 -0.85 0.41 -0.73 -0.94 -1.47 115.58 112.68 1yqa h ASN 224 Ca -0.00 -0.01 -0.03 0.00 1.87 0.00 0.00 56.30 58.12 1yqa h ASN 224 Cb 0.10 -0.18 -0.04 0.00 0.27 0.00 0.00 38.32 38.47 1yqa h ASN 224 CO 0.01 0.54 0.40 0.28 -0.37 0.00 0.00 177.43 178.28 1yqa h SER 225 N 0.90 1.12 -0.48 1.15 0.02 -0.03 0.17 113.55 116.41 1yqa h SER 225 Ca 0.29 -0.14 -0.03 0.00 -0.84 0.00 0.00 61.79 61.07 1yqa h SER 225 Cb 0.04 -0.29 -0.02 0.00 0.14 0.00 0.00 62.40 62.27 1yqa h SER 225 CO -0.08 0.95 0.20 0.00 -1.14 0.00 0.00 176.83 176.76 1yqa h ALA 226 N 1.21 0.62 -0.47 3.77 0.00 -0.17 0.24 119.26 124.47 1yqa h ALA 226 Ca 0.29 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 1yqa h ALA 226 Cb 0.13 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1yqa h ALA 226 CO -0.03 0.22 0.12 0.82 0.00 0.00 0.00 179.25 180.37 1yqa h ILE 227 N 0.63 1.24 -0.15 0.00 2.04 -0.96 -0.54 117.51 119.76 1yqa h ILE 227 Ca 0.16 -0.82 -0.02 0.00 1.00 0.00 0.00 64.86 65.18 1yqa h ILE 227 Cb 0.18 0.88 -0.01 0.00 -0.74 0.00 0.00 36.82 37.13 1yqa h ILE 227 CO -0.01 0.29 -0.00 0.50 0.00 0.00 0.00 178.15 178.93 1yqa h LYS 228 N 0.63 0.21 -0.11 2.37 3.64 -0.36 -0.06 116.57 122.88 1yqa h LYS 228 Ca 0.15 -0.03 -0.16 0.00 -1.27 0.00 0.00 60.65 59.34 1yqa h LYS 228 Cb 0.32 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.09 1yqa h LYS 228 CO 0.00 0.24 -0.61 -0.22 -2.27 0.00 0.00 179.45 176.59 1yqa h LYS 229 N 0.21 0.37 -0.07 1.90 1.63 0.16 -3.20 116.57 117.57 1yqa h LYS 229 Ca 0.05 -0.26 -0.16 0.00 -0.85 0.00 0.00 60.65 59.44 1yqa h LYS 229 Cb 0.15 0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 31.81 1yqa h LYS 229 CO 0.00 0.87 -0.64 0.00 -3.45 0.00 0.00 179.45 176.22 1yqa h VAL 231 N 0.19 1.24 -0.05 0.00 -1.51 -1.16 0.31 116.25 115.27 1yqa h VAL 231 Ca -0.01 -0.82 -0.17 0.00 -1.23 0.00 0.00 66.70 64.47 1yqa h VAL 231 Cb 1.17 0.49 -0.01 0.00 -2.13 0.00 0.00 31.29 30.81 1yqa h VAL 231 CO 0.10 0.32 -0.72 1.05 -1.23 0.00 0.00 177.57 177.10 1yqa h GLU 232 N 0.98 0.28 -0.33 5.19 4.11 -1.65 -2.85 114.58 120.32 1yqa h GLU 232 Ca 0.22 -0.23 -0.04 0.00 0.07 0.00 0.00 59.36 59.38 1yqa h GLU 232 Cb 0.26 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 1yqa h GLU 232 CO -0.01 0.88 0.05 -0.91 0.07 0.00 0.00 179.01 179.09 1yqa h ASN 233 N 0.19 0.44 0.00 3.06 2.35 -1.02 -3.46 115.58 117.14 1yqa h ASN 233 Ca -0.02 -0.06 0.00 0.00 -0.55 0.00 0.00 56.30 55.66 1yqa h ASN 233 Cb 1.28 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 39.53 1yqa h ASN 233 CO 0.11 0.47 0.00 0.61 -1.65 0.00 0.00 177.43 176.98 1yqa n GLY 234 N -1.04 0.66 0.13 2.83 0.00 0.10 -4.95 105.19 102.93 1yqa n GLY 234 Ca 0.02 -0.53 -0.20 0.00 0.00 0.00 0.00 46.02 45.31 1yqa n GLY 234 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1yqa n GLU 235 N -2.55 0.70 -5.22 1.61 -0.58 -1.01 -4.83 120.64 108.76 1yqa n GLU 235 Ca 0.00 0.20 -0.31 0.00 -0.42 0.00 0.00 57.16 56.63 1yqa n GLU 235 Cb 0.00 -1.61 -0.15 0.00 -0.57 0.00 0.00 31.44 29.10 1yqa n GLU 235 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1yqa s LEU 236 N -6.76 2.15 -0.06 -4.62 2.01 -1.20 -1.13 118.68 109.08 1yqa s LEU 236 Ca -0.29 -0.45 0.05 0.00 0.01 0.00 0.00 54.13 53.46 1yqa s LEU 236 Cb 0.08 -1.36 -0.01 0.00 0.01 0.00 0.00 46.19 44.90 1yqa s LEU 236 CO 0.68 0.32 -0.22 0.68 1.01 0.00 0.00 176.35 178.82 1yqa s VAL 237 N -0.65 2.32 -0.44 -1.59 -7.23 0.34 -3.08 120.40 110.07 1yqa s VAL 237 Ca 0.10 -0.98 0.04 0.00 -1.81 0.00 0.00 61.98 59.33 1yqa s VAL 237 Cb -0.10 -1.86 0.12 0.00 0.56 0.00 0.00 36.38 35.09 1yqa s VAL 237 CO -0.00 0.57 0.18 -1.10 -0.31 0.00 0.00 175.10 174.43 1yqa s GLN 238 N -0.25 1.67 0.22 4.82 -0.21 -1.26 -1.19 119.66 123.46 1yqa s GLN 238 Ca -0.00 -2.23 -0.06 0.00 0.02 0.00 0.00 55.36 53.09 1yqa s GLN 238 Cb -0.13 -3.11 0.20 0.00 1.00 0.00 0.00 33.01 30.97 1yqa s GLN 238 CO 0.03 -1.05 1.71 -1.00 -2.12 0.00 0.00 175.29 172.86 1yqa h PRO 239 N 6.97 0.96 -0.36 2.91 0.13 -1.87 -3.19 132.00 137.57 1yqa h PRO 239 Ca -0.06 -0.27 -0.11 0.00 -0.87 0.00 0.00 66.00 64.69 1yqa h PRO 239 Cb 0.94 -0.11 -0.01 0.00 0.13 0.00 0.00 31.00 31.96 1yqa h PRO 239 CO 0.60 0.93 -0.20 0.87 -0.23 0.00 0.00 178.00 179.97 1yqa h LYS 240 N 0.90 0.76 0.00 0.86 1.79 -1.84 -3.50 116.57 115.55 1yqa h LYS 240 Ca 0.17 -0.34 0.00 0.00 -2.18 0.00 0.00 60.65 58.30 1yqa h LYS 240 Cb 0.47 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.10 1yqa h LYS 240 CO 0.02 0.96 0.00 0.41 -1.08 0.00 0.00 179.45 179.76 1yqa n GLY 241 N -0.02 0.00 0.23 3.86 0.00 -1.21 -4.88 105.19 103.17 1yqa n GLY 241 Ca -0.02 -0.46 0.06 0.00 0.00 0.00 0.00 46.02 45.60 1yqa n GLY 241 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1yqa h PRO 242 N 0.00 0.00 0.00 1.61 0.13 -1.96 -3.44 132.00 128.34 1yqa h PRO 242 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1yqa h PRO 242 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1yqa h PRO 242 CO 0.00 0.18 0.00 0.43 -0.23 0.00 0.00 178.00 178.38 1yqa n SER 243 N -4.25 0.00 0.00 1.44 7.64 -1.26 -4.88 113.62 112.31 1yqa n SER 243 Ca -0.02 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.86 1yqa n SER 243 Cb 0.25 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.45 1yqa n SER 243 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1yqa n GLY 244 N 0.00 1.75 3.64 0.23 0.00 -1.26 -4.34 105.19 105.21 1yqa n GLY 244 Ca 0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 46.02 45.97 1yqa n GLY 244 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1yqa s ILE 245 N 0.00 0.00 -0.17 -0.61 2.07 -1.26 -4.48 121.20 116.75 1yqa s ILE 245 Ca 0.00 0.00 -0.17 0.00 -1.41 0.00 0.00 60.65 59.07 1yqa s ILE 245 Cb 0.00 -1.00 -0.04 0.00 0.13 0.00 0.00 42.46 41.55 1yqa s ILE 245 CO 0.00 0.00 0.45 -0.63 -1.91 0.00 0.00 174.94 172.85 1yqa s ILE 246 N 1.28 5.18 -0.09 2.00 1.09 0.10 -4.31 121.20 126.45 1yqa s ILE 246 Ca -0.08 0.86 0.04 0.00 -1.10 0.00 0.00 60.65 60.36 1yqa s ILE 246 Cb -0.04 -3.79 -0.01 0.00 -1.06 0.00 0.00 42.46 37.57 1yqa s ILE 246 CO -0.15 0.27 -0.22 -0.54 -0.10 0.00 0.00 174.94 174.20 1yqa s LYS 247 N 1.08 2.93 -0.53 2.79 1.02 -0.33 0.13 119.74 126.82 1yqa s LYS 247 Ca 0.23 -0.84 -0.28 0.00 0.02 0.00 0.00 55.97 55.09 1yqa s LYS 247 Cb -0.15 -2.32 0.01 0.00 -0.52 0.00 0.00 37.83 34.85 1yqa s LYS 247 CO 0.09 0.27 1.45 -1.17 -0.92 0.00 0.00 175.35 175.07 1yqa s LEU 248 N 0.13 3.44 -0.14 3.17 2.96 -0.97 -0.51 118.68 126.77 1yqa s LEU 248 Ca -0.11 0.43 -0.29 0.00 -0.22 0.00 0.00 54.13 53.93 1yqa s LEU 248 Cb -0.16 -3.14 -0.04 0.00 0.50 0.00 0.00 46.19 43.35 1yqa s LEU 248 CO 0.06 -1.69 1.60 0.21 -1.32 0.00 0.00 176.35 175.21 1yqa s ASN 249 N 4.56 6.57 0.17 3.68 2.47 -0.28 -4.81 114.94 127.30 1yqa s ASN 249 Ca 0.56 1.92 -0.12 0.00 0.42 0.00 0.00 52.86 55.64 1yqa s ASN 249 Cb -0.12 -2.53 0.07 0.00 -1.45 0.00 0.00 41.25 37.22 1yqa s ASN 249 CO 0.27 -1.05 1.71 0.11 -3.72 0.00 0.00 177.10 174.42 1yqa h LYS 250 N 9.92 0.90 0.00 0.43 6.56 -1.89 -3.46 116.57 129.02 1yqa h LYS 250 Ca -0.35 -0.18 0.00 0.00 -1.06 0.00 0.00 60.65 59.05 1yqa h LYS 250 Cb 1.16 -0.14 0.00 0.00 -0.57 0.00 0.00 32.23 32.68 1yqa h LYS 250 CO 0.97 0.79 0.00 1.17 -2.06 0.00 0.00 179.45 180.33 1yqa n LYS 251 N -4.44 0.00 -1.29 3.15 4.81 -1.26 -4.41 118.16 114.72 1yqa n LYS 251 Ca 0.03 0.00 -0.26 0.00 -0.87 0.00 0.00 58.31 57.21 1yqa n LYS 251 Cb 0.19 -0.04 0.12 0.00 0.02 0.00 0.00 35.03 35.33 1yqa n LYS 251 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1yqa n LYS 252 N 0.00 2.52 -3.61 1.64 5.02 -1.26 -4.89 118.16 117.58 1yqa n LYS 252 Ca 0.00 -3.28 -0.12 0.00 -2.02 0.00 0.00 58.31 52.90 1yqa n LYS 252 Cb 0.00 -2.18 -0.07 0.00 -0.02 0.00 0.00 35.03 32.76 1yqa n LYS 252 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1yqa s VAL 253 N -4.07 0.00 -0.23 -0.18 -7.23 -1.26 -5.18 120.40 102.25 1yqa s VAL 253 Ca 0.58 0.00 -0.14 0.00 -1.81 0.00 0.00 61.98 60.61 1yqa s VAL 253 Cb 0.47 -1.00 0.07 0.00 0.56 0.00 0.00 36.38 36.48 1yqa s VAL 253 CO 0.04 0.00 0.57 -0.75 -0.31 0.00 0.00 175.10 174.65 1yqa s LYS 254 N -0.14 0.59 0.13 4.82 2.20 -1.26 -4.88 119.74 121.20 1yqa s LYS 254 Ca -0.00 1.01 -0.30 0.00 -0.36 0.00 0.00 55.97 56.32 1yqa s LYS 254 Cb -0.04 0.11 -0.07 0.00 -1.51 0.00 0.00 37.83 36.33 1yqa s LYS 254 CO -0.01 -0.14 1.10 -0.51 -0.36 0.00 0.00 175.35 175.43 1yqa s LEU 255 N 1.36 4.45 -0.38 5.43 1.02 -1.26 -4.93 118.68 124.38 1yqa s LEU 255 Ca -0.08 2.01 0.10 0.00 0.02 0.00 0.00 54.13 56.17 1yqa s LEU 255 Cb -0.06 -3.59 0.38 0.00 0.02 0.00 0.00 46.19 42.94 1yqa s LEU 255 CO -0.14 -0.27 1.40 -0.24 0.02 0.00 0.00 176.35 177.11 1yqa n SER 256 N 2.92 -1.74 0.00 2.29 2.88 -1.26 -5.32 113.62 113.39 1yqa n SER 256 Ca 0.04 -2.35 0.00 0.00 -1.33 0.00 0.00 58.87 55.23 1yqa n SER 256 Cb 0.47 0.91 0.00 0.00 -0.75 0.00 0.00 64.21 64.84 1yqa n SER 256 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88