#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g3u s ARG 196 N 0.00 2.94 -0.02 1.45 1.70 -1.26 -1.15 118.95 122.61 3g3u s ARG 196 Ca 0.00 -0.59 0.04 0.00 -0.47 0.00 0.00 55.73 54.71 3g3u s ARG 196 Cb 0.00 -2.61 -0.01 0.00 -0.57 0.00 0.00 34.95 31.76 3g3u s ARG 196 CO 0.00 0.53 -0.13 -1.14 -1.08 0.00 0.00 175.30 173.48 3g3u s GLN 197 N -0.45 1.17 -0.10 3.89 0.74 -0.57 -4.98 119.66 119.36 3g3u s GLN 197 Ca 0.06 -0.48 0.04 0.00 0.05 0.00 0.00 55.36 55.03 3g3u s GLN 197 Cb -0.12 -1.11 0.00 0.00 1.10 0.00 0.00 33.01 32.88 3g3u s GLN 197 CO 0.02 0.26 -0.22 0.99 -0.55 0.00 0.00 175.29 175.79 3g3u s THR 198 N -0.19 1.94 0.06 -0.34 2.01 -1.26 -0.60 115.64 117.26 3g3u s THR 198 Ca 0.03 -0.94 0.02 0.00 0.31 0.00 0.00 61.69 61.11 3g3u s THR 198 Cb -0.07 -1.69 -0.03 0.00 0.01 0.00 0.00 72.50 70.73 3g3u s THR 198 CO -0.00 0.53 -0.08 0.42 -0.69 0.00 0.00 174.62 174.80 3g3u s THR 199 N 0.46 0.64 0.05 -0.82 -4.23 -0.81 -4.99 115.64 105.94 3g3u s THR 199 Ca -0.17 -1.30 0.08 0.00 -1.18 0.00 0.00 61.69 59.12 3g3u s THR 199 Cb -0.17 -0.90 -0.03 0.00 1.34 0.00 0.00 72.50 72.74 3g3u s THR 199 CO 0.07 -0.48 -0.22 -0.54 -0.54 0.00 0.00 174.62 172.91 3g3u s LYS 200 N -2.11 1.43 0.04 3.99 1.02 -1.26 -1.05 119.74 121.80 3g3u s LYS 200 Ca -0.04 -1.00 0.01 0.00 0.02 0.00 0.00 55.97 54.96 3g3u s LYS 200 Cb -0.07 -1.57 -0.03 0.00 -0.52 0.00 0.00 37.83 35.64 3g3u s LYS 200 CO -0.00 0.40 -0.05 0.71 -0.92 0.00 0.00 175.35 175.49 3g3u s TYR 201 N -0.84 0.49 0.07 3.18 2.02 0.14 -1.13 117.35 121.28 3g3u s TYR 201 Ca 0.08 -0.69 -0.04 0.00 -0.37 0.00 0.00 57.07 56.06 3g3u s TYR 201 Cb -0.09 -0.33 -0.05 0.00 -0.40 0.00 0.00 41.96 41.10 3g3u s TYR 201 CO 0.02 -0.20 0.28 -1.58 -1.57 0.00 0.00 175.55 172.50 3g3u s TRP 202 N -2.24 3.52 -0.15 2.71 0.51 0.12 -1.40 118.94 122.02 3g3u s TRP 202 Ca -0.06 0.45 -0.02 0.00 -2.12 0.00 0.00 56.10 54.35 3g3u s TRP 202 Cb -0.04 -1.91 0.04 0.00 -0.81 0.00 0.00 33.47 30.75 3g3u s TRP 202 CO -0.03 0.55 0.00 0.08 -0.51 0.00 0.00 176.95 177.04 3g3u s VAL 203 N -1.49 0.63 0.45 4.03 1.01 -0.18 -0.69 120.40 124.16 3g3u s VAL 203 Ca 0.35 -0.36 -0.25 0.00 0.00 0.00 0.00 61.98 61.72 3g3u s VAL 203 Cb -0.13 -0.94 -0.08 0.00 0.00 0.00 0.00 36.38 35.24 3g3u s VAL 203 CO 0.23 0.03 1.38 -2.28 0.00 0.00 0.00 175.10 174.46 3g3u s HIS 204 N 1.84 2.54 0.55 5.22 2.46 -1.26 -1.18 115.29 125.46 3g3u s HIS 204 Ca 0.01 1.32 0.31 0.00 0.47 0.00 0.00 55.06 57.18 3g3u s HIS 204 Cb -0.15 -3.82 1.47 0.00 -0.13 0.00 0.00 32.58 29.95 3g3u s HIS 204 CO -0.07 -2.67 1.88 -1.35 -2.47 0.00 0.00 174.74 170.06 3g3u h PRO 205 N 2.28 0.00 0.00 2.88 0.11 -1.97 0.15 132.00 135.46 3g3u h PRO 205 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3g3u h PRO 205 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 3g3u h PRO 205 CO 0.61 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.15 3g3u n ASP 206 N -4.12 0.24 -0.41 -2.05 9.92 -1.26 -3.09 116.55 115.78 3g3u n ASP 206 Ca 0.16 0.54 0.04 0.00 -0.53 0.00 0.00 54.79 55.00 3g3u n ASP 206 Cb 0.91 -0.60 0.09 0.00 -0.64 0.00 0.00 41.12 40.88 3g3u n ASP 206 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 3g3u n ASN 207 N -1.74 2.40 -0.03 -2.24 3.02 0.52 -4.77 115.26 112.41 3g3u n ASN 207 Ca 0.05 -1.83 -0.13 0.00 -0.03 0.00 0.00 54.58 52.63 3g3u n ASN 207 Cb 0.28 -0.12 -0.09 0.00 -0.61 0.00 0.00 39.78 39.23 3g3u n ASN 207 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 3g3u h ILE 208 N 1.44 1.41 0.24 2.41 2.04 -1.47 -2.03 117.51 121.55 3g3u h ILE 208 Ca 0.00 -1.34 -0.01 0.00 1.00 0.00 0.00 64.86 64.51 3g3u h ILE 208 Cb 0.58 2.20 0.00 0.00 -0.74 0.00 0.00 36.82 38.86 3g3u h ILE 208 CO 0.00 0.37 -0.12 0.71 0.00 0.00 0.00 178.15 179.11 3g3u h THR 209 N -0.36 0.82 -1.00 -0.27 1.35 -1.86 -1.22 112.91 110.37 3g3u h THR 209 Ca 0.00 -0.38 0.17 0.00 -0.55 0.00 0.00 66.41 65.66 3g3u h THR 209 Cb 0.63 1.04 -0.10 0.00 -1.73 0.00 0.00 68.15 67.99 3g3u h THR 209 CO 0.02 0.08 0.61 -0.08 -0.25 0.00 0.00 175.52 175.90 3g3u h GLU 210 N -0.52 0.79 -0.56 4.72 4.81 -1.88 -0.11 114.58 121.83 3g3u h GLU 210 Ca -0.03 -0.05 -0.09 0.00 -0.13 0.00 0.00 59.36 59.06 3g3u h GLU 210 Cb 0.38 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.56 3g3u h GLU 210 CO 0.05 0.52 0.01 1.25 -0.73 0.00 0.00 179.01 180.12 3g3u h LEU 211 N 0.81 0.93 -0.44 1.64 5.85 -1.04 -2.98 115.31 120.07 3g3u h LEU 211 Ca 0.56 -0.24 -0.04 0.00 0.84 0.00 0.00 57.88 59.00 3g3u h LEU 211 Cb 0.79 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.56 3g3u h LEU 211 CO -0.36 0.98 0.14 0.11 -0.34 0.00 0.00 178.44 178.97 3g3u h LYS 212 N 0.89 0.69 -0.68 1.25 1.57 0.17 -2.77 116.57 117.69 3g3u h LYS 212 Ca 0.17 -0.15 0.07 0.00 -1.87 0.00 0.00 60.65 58.87 3g3u h LYS 212 Cb 0.50 -0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.67 3g3u h LYS 212 CO 0.02 0.67 0.45 -0.07 -0.57 0.00 0.00 179.45 179.95 3g3u h LEU 213 N 0.58 0.59 -0.09 2.94 3.38 -1.17 -0.91 115.31 120.63 3g3u h LEU 213 Ca 0.14 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 3g3u h LEU 213 Cb 0.27 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 3g3u h LEU 213 CO -0.00 0.38 -0.02 0.40 0.09 0.00 0.00 178.44 179.29 3g3u h ILE 214 N 0.67 1.28 -0.24 1.22 2.04 -1.36 -2.97 117.51 118.16 3g3u h ILE 214 Ca 0.30 -0.92 -0.02 0.00 1.00 0.00 0.00 64.86 65.22 3g3u h ILE 214 Cb 0.30 1.70 -0.01 0.00 -0.74 0.00 0.00 36.82 38.08 3g3u h ILE 214 CO -0.10 0.26 0.08 0.40 0.00 0.00 0.00 178.15 178.79 3g3u h ILE 215 N -0.14 1.19 0.00 -0.67 2.04 -1.18 -2.96 117.51 115.80 3g3u h ILE 215 Ca 0.02 -0.61 0.00 0.00 1.00 0.00 0.00 64.86 65.27 3g3u h ILE 215 Cb 0.41 1.15 0.00 0.00 -0.74 0.00 0.00 36.82 37.64 3g3u h ILE 215 CO 0.01 0.20 0.00 0.17 0.00 0.00 0.00 178.15 178.53 3g3u h LEU 216 N 0.22 0.00 -1.82 1.44 8.10 -1.24 0.32 115.31 122.33 3g3u h LEU 216 Ca 0.08 0.00 -0.02 0.00 0.11 0.00 0.00 57.88 58.05 3g3u h LEU 216 Cb 0.23 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 40.45 3g3u h LEU 216 CO -0.00 0.00 -0.10 0.50 -4.11 0.00 0.00 178.44 174.72 3g3u h LYS 217 N 0.00 0.00 0.00 0.17 3.64 -1.35 -3.32 116.57 115.71 3g3u h LYS 217 Ca 0.00 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.31 3g3u h LYS 217 Cb 0.33 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.14 3g3u h LYS 217 CO 0.00 0.10 -1.44 0.72 -2.27 0.00 0.00 179.45 176.57 3g3u n HIS 218 N -4.35 0.00 -4.43 1.91 8.25 0.86 -5.05 115.22 112.42 3g3u n HIS 218 Ca -0.03 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.23 3g3u n HIS 218 Cb 0.18 -0.28 -0.14 0.00 1.12 0.00 0.00 29.99 30.88 3g3u n HIS 218 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3g3u s LEU 219 N -4.09 2.13 0.78 2.41 1.43 0.31 -4.98 118.68 116.68 3g3u s LEU 219 Ca -0.03 -0.40 -0.12 0.00 -1.03 0.00 0.00 54.13 52.55 3g3u s LEU 219 Cb 0.03 -0.63 0.06 0.00 0.03 0.00 0.00 46.19 45.68 3g3u s LEU 219 CO 0.31 0.07 1.10 -2.84 0.23 0.00 0.00 176.35 175.22 3g3u s PRO 220 N -0.92 2.23 -0.15 1.29 0.02 -1.26 -4.26 135.00 131.94 3g3u s PRO 220 Ca 0.03 0.55 -0.05 0.00 0.02 0.00 0.00 61.00 61.55 3g3u s PRO 220 Cb -0.07 -1.94 -0.03 0.00 0.02 0.00 0.00 34.50 32.47 3g3u s PRO 220 CO 0.01 -1.50 0.02 0.08 -0.33 0.00 0.00 177.00 175.28 3g3u s VAL 221 N -3.23 4.43 0.23 3.83 1.01 -1.26 -1.63 120.40 123.77 3g3u s VAL 221 Ca 0.60 -0.17 -0.30 0.00 0.00 0.00 0.00 61.98 62.11 3g3u s VAL 221 Cb -0.13 -2.95 -0.09 0.00 0.00 0.00 0.00 36.38 33.21 3g3u s VAL 221 CO 0.53 0.51 1.12 -0.76 0.00 0.00 0.00 175.10 176.50 3g3u s LEU 222 N 0.02 4.51 0.10 3.92 1.43 -0.63 -4.97 118.68 123.05 3g3u s LEU 222 Ca 0.04 2.20 0.04 0.00 -1.03 0.00 0.00 54.13 55.38 3g3u s LEU 222 Cb -0.13 -3.62 -0.04 0.00 0.03 0.00 0.00 46.19 42.44 3g3u s LEU 222 CO 0.02 -0.22 -0.11 0.68 0.23 0.00 0.00 176.35 176.95 3g3u s VAL 223 N -0.63 0.97 -0.14 -1.59 -7.23 -1.26 -4.75 120.40 105.77 3g3u s VAL 223 Ca 0.48 -1.61 0.01 0.00 -1.81 0.00 0.00 61.98 59.05 3g3u s VAL 223 Cb -0.31 -1.33 0.02 0.00 0.56 0.00 0.00 36.38 35.32 3g3u s VAL 223 CO 0.38 -0.52 0.73 0.49 -0.31 0.00 0.00 175.10 175.87 3g3u n PHE 224 N 0.63 0.02 -4.21 2.82 3.72 -1.26 -4.96 117.46 114.22 3g3u n PHE 224 Ca -0.16 -0.19 -0.34 0.00 -0.05 0.00 0.00 57.45 56.70 3g3u n PHE 224 Cb 0.57 -0.02 -0.08 0.00 -0.94 0.00 0.00 39.48 39.01 3g3u n PHE 224 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 176.76 175.91 3g3u s ASN 225 N -0.46 5.51 0.44 4.37 0.02 -1.26 -5.03 114.94 118.54 3g3u s ASN 225 Ca 0.02 0.16 0.22 0.00 -1.02 0.00 0.00 52.86 52.24 3g3u s ASN 225 Cb 0.01 -1.58 1.03 0.00 0.02 0.00 0.00 41.25 40.73 3g3u s ASN 225 CO 0.02 0.33 1.90 0.00 0.02 0.00 0.00 177.10 179.37 3g3u h THR 226 N 3.73 0.76 -0.03 1.60 1.03 -1.92 0.63 112.91 118.71 3g3u h THR 226 Ca -0.50 -1.02 0.00 0.00 -0.01 0.00 0.00 66.41 64.88 3g3u h THR 226 Cb 1.19 1.63 0.00 0.00 -1.07 0.00 0.00 68.15 69.90 3g3u h THR 226 CO 0.58 0.24 0.00 -0.46 -0.01 0.00 0.00 175.52 175.87 3g3u n ASN 227 N -3.65 0.32 -2.18 0.00 0.23 -1.26 -4.90 115.26 103.83 3g3u n ASN 227 Ca -0.01 -1.47 -0.17 0.00 -0.53 0.00 0.00 54.58 52.40 3g3u n ASN 227 Cb 0.37 -0.02 -0.03 0.00 -2.08 0.00 0.00 39.78 38.03 3g3u n ASN 227 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 3g3u n LYS 228 N -0.58 -1.79 -4.08 -3.83 5.02 0.21 -4.97 118.16 108.15 3g3u n LYS 228 Ca 0.14 0.87 -0.32 0.00 -2.02 0.00 0.00 58.31 56.99 3g3u n LYS 228 Cb 0.12 -5.42 -0.07 0.00 -0.02 0.00 0.00 35.03 29.64 3g3u n LYS 228 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3g3u s GLU 229 N -4.62 2.96 0.04 1.97 2.02 -1.26 -5.02 118.70 114.80 3g3u s GLU 229 Ca 0.00 -0.60 0.02 0.00 0.02 0.00 0.00 54.97 54.42 3g3u s GLU 229 Cb 0.00 -2.78 -0.02 0.00 0.10 0.00 0.00 34.13 31.42 3g3u s GLU 229 CO 0.00 0.60 -0.08 -0.59 0.02 0.00 0.00 175.26 175.21 3g3u s PHE 230 N -1.29 0.70 0.38 1.61 -0.12 -1.26 -4.49 117.98 113.51 3g3u s PHE 230 Ca 0.26 -0.46 0.07 0.00 -0.05 0.00 0.00 56.93 56.76 3g3u s PHE 230 Cb -0.12 -0.42 -0.01 0.00 -0.63 0.00 0.00 43.02 41.85 3g3u s PHE 230 CO 0.18 -0.07 0.47 -1.21 -0.05 0.00 0.00 175.22 174.54 3g3u s GLU 231 N -1.45 2.84 0.23 1.99 2.02 -1.26 -5.01 118.70 118.06 3g3u s GLU 231 Ca -0.08 -1.24 -0.07 0.00 0.02 0.00 0.00 54.97 53.60 3g3u s GLU 231 Cb -0.09 -2.67 0.40 0.00 0.10 0.00 0.00 34.13 31.87 3g3u s GLU 231 CO 0.00 -0.11 1.67 0.07 0.02 0.00 0.00 175.26 176.91 3g3u h ARG 232 N 0.86 0.19 0.00 1.61 0.11 -2.04 -1.18 114.38 113.93 3g3u h ARG 232 Ca -0.42 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 59.64 3g3u h ARG 232 Cb 1.27 -0.04 0.00 0.00 1.11 0.00 0.00 29.97 32.30 3g3u h ARG 232 CO 0.51 0.13 0.00 0.93 0.10 0.00 0.00 179.97 181.64 3g3u h GLU 233 N 0.20 0.00 -0.41 0.08 5.08 -1.96 -3.22 114.58 114.33 3g3u h GLU 233 Ca 0.38 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.79 3g3u h GLU 233 Cb 0.65 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.87 3g3u h GLU 233 CO -0.53 0.00 0.28 -0.44 -1.00 0.00 0.00 179.01 177.31 3g3u h ASP 234 N 0.00 0.33 1.43 1.42 5.19 -1.59 -2.33 116.42 120.88 3g3u h ASP 234 Ca 0.00 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3g3u h ASP 234 Cb 0.42 -0.07 0.00 0.00 0.18 0.00 0.00 39.33 39.86 3g3u h ASP 234 CO 0.00 0.22 -0.03 -1.20 -3.12 0.00 0.00 179.24 175.11 3g3u n SER 235 N -4.48 0.79 -4.74 6.45 7.64 -1.22 -4.52 113.62 113.55 3g3u n SER 235 Ca 0.05 0.55 -0.41 0.00 1.01 0.00 0.00 58.87 60.06 3g3u n SER 235 Cb 0.20 -0.74 -0.03 0.00 -1.01 0.00 0.00 64.21 62.64 3g3u n SER 235 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3g3u s ALA 236 N -3.10 3.59 -0.08 -0.43 0.00 -0.88 -1.62 121.76 119.24 3g3u s ALA 236 Ca 0.10 1.24 0.01 0.00 0.00 0.00 0.00 51.96 53.31 3g3u s ALA 236 Cb 0.13 -3.53 0.02 0.00 0.00 0.00 0.00 23.12 19.74 3g3u s ALA 236 CO 0.60 -0.66 -0.08 0.42 0.00 0.00 0.00 175.76 176.04 3g3u s ILE 237 N 0.10 0.92 -0.06 0.00 1.01 -0.42 -0.23 121.20 122.53 3g3u s ILE 237 Ca 0.59 -0.28 0.06 0.00 0.00 0.00 0.00 60.65 61.02 3g3u s ILE 237 Cb -0.40 -0.92 -0.01 0.00 0.01 0.00 0.00 42.46 41.14 3g3u s ILE 237 CO 0.41 0.33 -0.25 -0.89 0.00 0.00 0.00 174.94 174.54 3g3u s THR 238 N 1.30 2.03 -0.04 2.92 2.01 -0.64 -2.45 115.64 120.77 3g3u s THR 238 Ca -0.03 -1.05 0.02 0.00 0.31 0.00 0.00 61.69 60.94 3g3u s THR 238 Cb -0.14 -1.72 0.01 0.00 0.01 0.00 0.00 72.50 70.66 3g3u s THR 238 CO -0.03 0.56 -0.09 -0.44 -0.69 0.00 0.00 174.62 173.93 3g3u s SER 239 N -0.15 1.33 -0.41 3.53 0.01 -0.51 -1.44 113.70 116.06 3g3u s SER 239 Ca -0.04 -0.21 -0.13 0.00 1.31 0.00 0.00 55.95 56.88 3g3u s SER 239 Cb -0.14 -0.48 0.04 0.00 0.21 0.00 0.00 66.02 65.66 3g3u s SER 239 CO 0.04 0.04 0.28 -0.63 0.41 0.00 0.00 173.24 173.38 3g3u s ILE 240 N 0.43 4.86 0.07 1.44 -1.09 -0.09 -1.04 121.20 125.78 3g3u s ILE 240 Ca -0.08 -0.93 -0.27 0.00 -2.23 0.00 0.00 60.65 57.15 3g3u s ILE 240 Cb -0.12 -3.79 -0.06 0.00 -1.58 0.00 0.00 42.46 36.92 3g3u s ILE 240 CO 0.01 -0.37 0.84 -0.31 -1.23 0.00 0.00 174.94 173.89 3g3u s TYR 241 N 1.59 3.76 0.00 3.97 2.02 0.85 -1.71 117.35 127.82 3g3u s TYR 241 Ca 0.03 1.60 -0.00 0.00 -0.37 0.00 0.00 57.07 58.33 3g3u s TYR 241 Cb -0.21 -2.91 -0.04 0.00 -0.40 0.00 0.00 41.96 38.40 3g3u s TYR 241 CO 0.07 0.24 0.09 -0.06 -1.57 0.00 0.00 175.55 174.32 3g3u s PHE 242 N -0.01 3.30 0.31 2.71 0.08 -0.07 -0.83 117.98 123.47 3g3u s PHE 242 Ca 0.42 0.21 -0.20 0.00 0.12 0.00 0.00 56.93 57.48 3g3u s PHE 242 Cb -0.22 -1.74 0.03 0.00 -0.57 0.00 0.00 43.02 40.53 3g3u s PHE 242 CO 0.26 0.56 0.75 0.34 -0.10 0.00 0.00 175.22 177.02 3g3u s ASP 243 N -1.80 -0.18 0.57 1.36 -1.08 -0.67 -4.47 116.67 110.41 3g3u s ASP 243 Ca 0.24 -0.77 0.09 0.00 -0.52 0.00 0.00 52.55 51.59 3g3u s ASP 243 Cb -0.12 0.76 0.08 0.00 -1.46 0.00 0.00 42.92 42.18 3g3u s ASP 243 CO 0.15 -1.44 0.78 0.54 0.52 0.00 0.00 175.17 175.72 3g3u s ASN 244 N -2.97 5.12 0.57 -0.34 2.20 -1.26 -0.85 114.94 117.41 3g3u s ASN 244 Ca 0.12 -0.78 0.34 0.00 -0.94 0.00 0.00 52.86 51.60 3g3u s ASN 244 Cb -0.06 0.19 1.64 0.00 -2.00 0.00 0.00 41.25 41.03 3g3u s ASN 244 CO 0.08 -1.31 2.10 -0.08 -2.94 0.00 0.00 177.10 174.96 3g3u h GLU 245 N 0.19 0.00 -0.00 3.55 4.81 -1.90 0.54 114.58 121.77 3g3u h GLU 245 Ca -0.31 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.92 3g3u h GLU 245 Cb 1.29 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.67 3g3u h GLU 245 CO 0.41 0.05 -0.03 0.09 -0.73 0.00 0.00 179.01 178.80 3g3u n ASN 246 N -3.28 0.06 -3.08 1.04 3.02 -1.26 -4.94 115.26 106.82 3g3u n ASN 246 Ca -0.01 0.15 -0.21 0.00 -0.03 0.00 0.00 54.58 54.47 3g3u n ASN 246 Cb 0.23 -0.35 0.05 0.00 -0.61 0.00 0.00 39.78 39.10 3g3u n ASN 246 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3g3u n LEU 247 N -1.38 -2.97 -0.34 3.41 4.77 0.18 -4.90 117.00 115.77 3g3u n LEU 247 Ca 0.10 -0.39 0.06 0.00 -0.03 0.00 0.00 56.01 55.75 3g3u n LEU 247 Cb 0.30 -2.80 0.21 0.00 -2.33 0.00 0.00 43.42 38.80 3g3u n LEU 247 CO 0.26 0.42 1.20 0.44 -1.33 0.00 0.00 177.39 178.38 3g3u h ASP 248 N -1.93 0.83 -0.06 -1.43 3.32 -1.92 -2.14 116.42 113.09 3g3u h ASP 248 Ca -0.51 0.05 -0.22 0.00 0.02 0.00 0.00 57.03 56.37 3g3u h ASP 248 Cb 1.34 -0.12 0.01 0.00 0.22 0.00 0.00 39.33 40.78 3g3u h ASP 248 CO 0.52 0.45 -0.81 -0.07 -1.72 0.00 0.00 179.24 177.61 3g3u h LEU 249 N 0.92 0.86 0.07 1.55 3.38 -1.90 -2.17 115.31 118.02 3g3u h LEU 249 Ca 0.46 -0.58 0.02 0.00 0.09 0.00 0.00 57.88 57.87 3g3u h LEU 249 Cb 0.44 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.90 3g3u h LEU 249 CO -0.26 1.37 -0.24 0.22 0.09 0.00 0.00 178.44 179.63 3g3u h TYR 250 N 0.48 -0.63 -0.61 1.13 3.20 -1.82 -1.17 116.97 117.55 3g3u h TYR 250 Ca -0.06 0.02 0.04 0.00 3.14 0.00 0.00 58.73 61.86 3g3u h TYR 250 Cb 1.43 0.27 -0.04 0.00 1.54 0.00 0.00 36.73 39.93 3g3u h TYR 250 CO 0.08 -0.33 0.36 1.88 -1.64 0.00 0.00 178.16 178.51 3g3u h TYR 251 N -0.41 0.67 -0.50 -3.82 0.05 -1.38 0.63 116.97 112.21 3g3u h TYR 251 Ca 0.04 0.02 0.05 0.00 0.05 0.00 0.00 58.73 58.90 3g3u h TYR 251 Cb 0.46 -0.21 -0.05 0.00 1.01 0.00 0.00 36.73 37.93 3g3u h TYR 251 CO -0.24 0.37 0.23 0.78 -1.05 0.00 0.00 178.16 178.24 3g3u h GLY 252 N 0.70 0.69 1.21 3.88 0.00 -1.10 -0.95 103.07 107.51 3g3u h GLY 252 Ca 0.25 -0.14 -0.14 0.00 0.00 0.00 0.00 47.33 47.30 3g3u h GLY 252 CO -0.12 0.07 -0.33 3.21 0.00 0.00 0.00 176.54 179.37 3g3u h ARG 253 N 0.44 0.87 0.51 4.80 2.47 -0.85 -1.83 114.38 120.80 3g3u h ARG 253 Ca 0.23 -0.42 -0.02 0.00 -1.26 0.00 0.00 59.98 58.51 3g3u h ARG 253 Cb 0.18 -0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.49 3g3u h ARG 253 CO -0.19 1.07 -0.31 1.25 0.56 0.00 0.00 179.97 182.35 3g3u h LEU 254 N 0.73 -0.77 0.00 3.04 5.85 -0.42 -2.50 115.31 121.24 3g3u h LEU 254 Ca 0.07 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.84 3g3u h LEU 254 Cb 0.89 0.23 0.00 0.00 0.37 0.00 0.00 40.66 42.15 3g3u h LEU 254 CO 0.08 -0.49 0.00 -2.11 -0.34 0.00 0.00 178.44 175.58 3g3u n ARG 255 N -5.45 0.75 -3.17 1.25 1.85 -0.40 -4.89 116.66 106.60 3g3u n ARG 255 Ca -0.12 0.01 -0.22 0.00 -1.00 0.00 0.00 57.85 56.52 3g3u n ARG 255 Cb 0.34 -1.50 0.05 0.00 -1.05 0.00 0.00 32.46 30.30 3g3u n ARG 255 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 3g3u n LYS 256 N -1.06 -5.68 -1.48 2.89 4.76 -0.75 -4.95 118.16 111.89 3g3u n LYS 256 Ca 0.19 0.86 -0.43 0.00 -2.87 0.00 0.00 58.31 56.06 3g3u n LYS 256 Cb 0.12 -5.72 -0.00 0.00 -1.84 0.00 0.00 35.03 27.59 3g3u n LYS 256 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 3g3u n ASP 257 N -2.53 -0.43 -4.71 4.39 8.00 -0.83 -4.89 116.55 115.55 3g3u n ASP 257 Ca -0.07 1.00 -0.42 0.00 0.71 0.00 0.00 54.79 56.01 3g3u n ASP 257 Cb 0.60 -1.13 -0.03 0.00 -0.02 0.00 0.00 41.12 40.54 3g3u n ASP 257 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 3g3u s GLU 258 N -1.50 4.22 0.00 -1.24 2.56 -1.26 -2.11 118.70 119.37 3g3u s GLU 258 Ca 0.62 2.31 0.00 0.00 0.00 0.00 0.00 54.97 57.90 3g3u s GLU 258 Cb -0.67 -3.31 0.00 0.00 2.00 0.00 0.00 34.13 32.15 3g3u s GLU 258 CO 0.58 -0.63 0.00 0.41 -0.56 0.00 0.00 175.26 175.06 3g3u n GLY 259 N 3.80 0.59 3.68 -1.50 0.00 0.13 -5.00 105.19 106.90 3g3u n GLY 259 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 3g3u n GLY 259 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g3u n ALA 260 N 1.00 1.93 -2.69 4.61 0.00 -0.90 -4.59 120.51 119.87 3g3u n ALA 260 Ca 0.00 0.28 -0.35 0.00 0.00 0.00 0.00 53.44 53.37 3g3u n ALA 260 Cb 0.03 -2.62 -0.05 0.00 0.00 0.00 0.00 19.45 16.80 3g3u n ALA 260 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3g3u s GLU 261 N 3.41 3.65 -0.05 0.00 2.02 -1.26 -1.50 118.70 124.98 3g3u s GLU 261 Ca 0.85 0.04 0.05 0.00 0.02 0.00 0.00 54.97 55.92 3g3u s GLU 261 Cb -0.47 -3.07 -0.02 0.00 0.10 0.00 0.00 34.13 30.66 3g3u s GLU 261 CO 0.40 0.63 -0.19 0.00 0.02 0.00 0.00 175.26 176.12 3g3u s ALA 262 N -1.29 2.45 -0.13 5.21 0.00 0.45 -4.80 121.76 123.64 3g3u s ALA 262 Ca 0.28 -1.02 0.03 0.00 0.00 0.00 0.00 51.96 51.24 3g3u s ALA 262 Cb -0.14 -0.82 0.01 0.00 0.00 0.00 0.00 23.12 22.17 3g3u s ALA 262 CO 0.16 0.51 -0.22 -1.01 0.00 0.00 0.00 175.76 175.20 3g3u s HIS 263 N -0.55 2.65 0.01 0.00 3.76 -1.26 -0.91 115.29 118.98 3g3u s HIS 263 Ca 0.08 -1.26 -0.09 0.00 -0.15 0.00 0.00 55.06 53.64 3g3u s HIS 263 Cb -0.11 -1.79 0.00 0.00 1.11 0.00 0.00 32.58 31.79 3g3u s HIS 263 CO 0.01 -0.56 0.18 -0.98 -0.85 0.00 0.00 174.74 172.53 3g3u s ARG 264 N 0.70 0.57 -0.24 1.40 1.70 -0.46 -0.89 118.95 121.73 3g3u s ARG 264 Ca -0.10 -0.44 -0.02 0.00 -0.47 0.00 0.00 55.73 54.70 3g3u s ARG 264 Cb -0.16 0.24 0.02 0.00 -0.57 0.00 0.00 34.95 34.48 3g3u s ARG 264 CO 0.01 -0.15 -0.07 -0.51 -1.08 0.00 0.00 175.30 173.50 3g3u s LEU 265 N -1.58 3.06 0.03 -1.89 1.02 -0.70 -0.11 118.68 118.51 3g3u s LEU 265 Ca -0.12 -0.78 0.08 0.00 0.02 0.00 0.00 54.13 53.33 3g3u s LEU 265 Cb -0.05 -1.66 -0.03 0.00 0.02 0.00 0.00 46.19 44.47 3g3u s LEU 265 CO 0.00 -0.10 -0.22 -0.60 0.02 0.00 0.00 176.35 175.45 3g3u s ARG 266 N 1.35 1.98 0.06 1.70 3.52 0.35 -0.91 118.95 127.00 3g3u s ARG 266 Ca 0.01 -1.01 0.03 0.00 -0.13 0.00 0.00 55.73 54.63 3g3u s ARG 266 Cb -0.16 -2.09 -0.03 0.00 -1.56 0.00 0.00 34.95 31.11 3g3u s ARG 266 CO -0.05 0.54 -0.08 1.67 -0.81 0.00 0.00 175.30 176.56 3g3u s TRP 267 N -0.83 0.78 -0.12 5.12 -2.14 -0.52 0.09 118.94 121.33 3g3u s TRP 267 Ca 0.13 -0.57 -0.04 0.00 2.66 0.00 0.00 56.10 58.28 3g3u s TRP 267 Cb -0.10 -0.46 -0.04 0.00 -3.10 0.00 0.00 33.47 29.77 3g3u s TRP 267 CO 0.03 -0.07 0.03 0.71 -2.66 0.00 0.00 176.95 174.99 3g3u s TYR 268 N -1.77 3.24 0.00 1.66 2.02 -1.26 -1.62 117.35 119.62 3g3u s TYR 268 Ca -0.05 0.16 0.00 0.00 -0.37 0.00 0.00 57.07 56.81 3g3u s TYR 268 Cb -0.07 -1.91 0.00 0.00 -0.40 0.00 0.00 41.96 39.58 3g3u s TYR 268 CO -0.00 0.37 0.00 0.41 -1.57 0.00 0.00 175.55 174.76 3g3u n GLY 269 N 2.64 -1.22 1.24 0.71 0.00 0.68 -4.81 105.19 104.43 3g3u n GLY 269 Ca -0.18 -1.46 -0.08 0.00 0.00 0.00 0.00 46.02 44.30 3g3u n GLY 269 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3g3u n GLY 270 N 0.00 -0.06 0.06 -0.02 0.00 -1.25 -4.79 105.19 99.12 3g3u n GLY 270 Ca 0.00 -1.86 0.11 0.00 0.00 0.00 0.00 46.02 44.26 3g3u n GLY 270 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3g3u n MET 271 N -1.71 0.10 0.10 1.61 0.00 -1.26 -1.60 117.12 114.35 3g3u n MET 271 Ca 0.05 0.27 0.13 0.00 0.00 0.00 0.00 57.70 58.15 3g3u n MET 271 Cb 0.19 -1.67 0.44 0.00 0.00 0.00 0.00 33.22 32.18 3g3u n MET 271 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 175.97 174.84 3g3u n SER 272 N -1.86 0.69 -4.73 7.83 3.41 -1.26 -4.82 113.62 112.88 3g3u n SER 272 Ca 0.04 0.59 -0.42 0.00 -0.26 0.00 0.00 58.87 58.82 3g3u n SER 272 Cb 0.25 -0.77 -0.03 0.00 -0.26 0.00 0.00 64.21 63.41 3g3u n SER 272 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3g3u s THR 273 N -3.14 2.06 -0.22 6.66 2.01 -0.63 -4.88 115.64 117.49 3g3u s THR 273 Ca 0.09 0.04 0.10 0.00 0.31 0.00 0.00 61.69 62.23 3g3u s THR 273 Cb 0.12 -3.03 -0.13 0.00 0.01 0.00 0.00 72.50 69.47 3g3u s THR 273 CO 0.53 0.00 0.31 -0.67 -0.69 0.00 0.00 174.62 174.11 3g3u n ASP 274 N 3.63 1.66 -4.60 3.53 2.03 -1.26 -4.93 116.55 116.61 3g3u n ASP 274 Ca 0.14 -0.34 -0.40 0.00 0.52 0.00 0.00 54.79 54.72 3g3u n ASP 274 Cb 0.36 1.25 -0.08 0.00 -0.72 0.00 0.00 41.12 41.93 3g3u n ASP 274 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 3g3u s THR 275 N -2.35 5.12 -0.18 5.18 2.01 -1.26 -1.26 115.64 122.90 3g3u s THR 275 Ca -0.00 0.66 -0.03 0.00 0.31 0.00 0.00 61.69 62.62 3g3u s THR 275 Cb 0.07 -3.77 -0.02 0.00 0.01 0.00 0.00 72.50 68.79 3g3u s THR 275 CO 0.42 0.10 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.77 3g3u s ILE 276 N 2.18 3.59 -0.27 1.82 -1.09 0.17 -4.70 121.20 122.90 3g3u s ILE 276 Ca 0.17 -0.44 -0.19 0.00 -2.23 0.00 0.00 60.65 57.96 3g3u s ILE 276 Cb -0.16 -2.60 -0.02 0.00 -1.58 0.00 0.00 42.46 38.11 3g3u s ILE 276 CO 0.10 0.46 0.59 -0.36 -1.23 0.00 0.00 174.94 174.50 3g3u s PHE 277 N 0.88 3.26 -0.55 3.97 0.08 0.11 -1.11 117.98 124.62 3g3u s PHE 277 Ca -0.01 0.68 -0.23 0.00 0.12 0.00 0.00 56.93 57.49 3g3u s PHE 277 Cb -0.15 -2.84 0.05 0.00 -0.57 0.00 0.00 43.02 39.51 3g3u s PHE 277 CO 0.01 -0.36 0.88 0.08 -0.10 0.00 0.00 175.22 175.73 3g3u s VAL 278 N 2.47 4.49 -0.04 -0.44 1.01 -0.18 -0.49 120.40 127.21 3g3u s VAL 278 Ca 0.24 0.04 0.03 0.00 0.00 0.00 0.00 61.98 62.29 3g3u s VAL 278 Cb -0.15 -4.50 -0.03 0.00 0.00 0.00 0.00 36.38 31.70 3g3u s VAL 278 CO 0.10 -1.08 -0.12 -1.61 0.00 0.00 0.00 175.10 172.39 3g3u s GLU 279 N 3.67 2.55 -0.11 2.72 2.02 0.84 -2.39 118.70 128.00 3g3u s GLU 279 Ca 0.26 -0.67 0.01 0.00 0.02 0.00 0.00 54.97 54.59 3g3u s GLU 279 Cb -0.14 -2.44 0.02 0.00 0.10 0.00 0.00 34.13 31.67 3g3u s GLU 279 CO 0.17 0.63 -0.14 0.50 0.02 0.00 0.00 175.26 176.44 3g3u s ARG 280 N -0.85 2.08 -0.13 1.61 3.52 0.48 -1.35 118.95 124.31 3g3u s ARG 280 Ca 0.12 -0.50 -0.03 0.00 -0.13 0.00 0.00 55.73 55.19 3g3u s ARG 280 Cb -0.11 -1.85 -0.03 0.00 -1.56 0.00 0.00 34.95 31.40 3g3u s ARG 280 CO 0.02 -0.12 -0.01 0.15 -0.81 0.00 0.00 175.30 174.52 3g3u s LYS 281 N 1.18 3.45 -0.11 5.12 1.02 -0.09 -1.11 119.74 129.20 3g3u s LYS 281 Ca -0.03 -0.46 0.03 0.00 0.02 0.00 0.00 55.97 55.53 3g3u s LYS 281 Cb -0.14 -2.90 0.01 0.00 -0.52 0.00 0.00 37.83 34.28 3g3u s LYS 281 CO -0.04 0.42 -0.20 0.99 -0.92 0.00 0.00 175.35 175.59 3g3u s THR 282 N -0.10 1.83 0.02 2.17 2.01 0.62 -0.41 115.64 121.78 3g3u s THR 282 Ca 0.03 -0.86 -0.30 0.00 0.31 0.00 0.00 61.69 60.87 3g3u s THR 282 Cb -0.13 -1.61 -0.04 0.00 0.01 0.00 0.00 72.50 70.73 3g3u s THR 282 CO 0.02 0.51 1.02 -2.28 -0.69 0.00 0.00 174.62 173.20 3g3u s HIS 283 N 0.63 3.63 0.03 4.92 2.46 -0.56 -1.21 115.29 125.19 3g3u s HIS 283 Ca -0.13 1.64 0.08 0.00 0.47 0.00 0.00 55.06 57.11 3g3u s HIS 283 Cb -0.16 -3.17 -0.02 0.00 -0.13 0.00 0.00 32.58 29.09 3g3u s HIS 283 CO 0.04 -0.23 -0.23 1.03 -2.47 0.00 0.00 174.74 172.88 3g3u s ARG 284 N 0.90 1.62 -0.05 2.88 1.81 -0.41 0.22 118.95 125.91 3g3u s ARG 284 Ca 0.53 -0.95 -0.03 0.00 -1.72 0.00 0.00 55.73 53.56 3g3u s ARG 284 Cb -0.23 -1.70 0.03 0.00 -0.45 0.00 0.00 34.95 32.60 3g3u s ARG 284 CO 0.29 0.45 0.12 -1.21 -0.68 0.00 0.00 175.30 174.26 3g3u s GLU 285 N -1.02 0.09 0.00 3.54 2.02 -1.26 -2.05 118.70 120.03 3g3u s GLU 285 Ca 0.09 0.27 0.00 0.00 0.02 0.00 0.00 54.97 55.35 3g3u s GLU 285 Cb -0.09 -0.10 0.00 0.00 0.10 0.00 0.00 34.13 34.04 3g3u s GLU 285 CO 0.01 -0.11 0.00 -0.40 0.02 0.00 0.00 175.26 174.78 3g3u n ASP 286 N 3.76 0.00 -0.28 -0.19 5.68 -0.26 -5.00 116.55 120.26 3g3u n ASP 286 Ca -0.21 -0.35 0.05 0.00 -0.50 0.00 0.00 54.79 53.78 3g3u n ASP 286 Cb 0.54 0.00 0.27 0.00 -1.14 0.00 0.00 41.12 40.80 3g3u n ASP 286 CO 0.00 0.00 0.00 4.11 -1.33 0.00 0.00 177.20 179.98 3g3u h TRP 287 N 0.35 0.98 0.00 2.11 0.09 -2.03 -1.37 115.95 116.07 3g3u h TRP 287 Ca 0.00 0.03 0.00 0.00 0.09 0.00 0.00 58.89 59.01 3g3u h TRP 287 Cb 0.00 -0.32 0.00 0.00 0.08 0.00 0.00 29.16 28.92 3g3u h TRP 287 CO 0.00 0.49 0.00 1.79 0.09 0.00 0.00 178.44 180.81 3g3u h THR 288 N 0.94 0.00 0.00 0.12 1.35 -2.03 -3.49 112.91 109.81 3g3u h THR 288 Ca 0.39 -0.47 0.00 0.00 -0.55 0.00 0.00 66.41 65.78 3g3u h THR 288 Cb 0.27 1.37 0.00 0.00 -1.73 0.00 0.00 68.15 68.06 3g3u h THR 288 CO -0.15 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.73 3g3u n GLY 289 N 0.43 0.15 3.66 5.82 0.00 -0.52 -5.08 105.19 109.65 3g3u n GLY 289 Ca 0.03 -1.59 -0.23 0.00 0.00 0.00 0.00 46.02 44.22 3g3u n GLY 289 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3g3u s GLU 290 N -0.28 2.27 -0.02 1.61 2.02 -1.26 -1.10 118.70 121.94 3g3u s GLU 290 Ca 0.00 -1.52 -0.30 0.00 0.02 0.00 0.00 54.97 53.18 3g3u s GLU 290 Cb 0.00 -2.12 0.10 0.00 0.10 0.00 0.00 34.13 32.22 3g3u s GLU 290 CO 0.00 0.25 0.99 -1.59 0.02 0.00 0.00 175.26 174.93 3g3u s LYS 291 N -3.73 0.75 -0.14 1.61 -2.85 -0.87 -4.99 119.74 109.52 3g3u s LYS 291 Ca 0.34 -0.31 -0.01 0.00 -1.00 0.00 0.00 55.97 54.98 3g3u s LYS 291 Cb -0.04 0.32 -0.02 0.00 -2.06 0.00 0.00 37.83 36.03 3g3u s LYS 291 CO 0.20 -0.33 -0.09 0.45 0.10 0.00 0.00 175.35 175.68 3g3u s SER 292 N -2.53 4.33 -0.24 0.03 0.15 -1.26 -1.28 113.70 112.90 3g3u s SER 292 Ca 0.08 -0.24 -0.05 0.00 0.70 0.00 0.00 55.95 56.43 3g3u s SER 292 Cb -0.01 -1.66 -0.01 0.00 -1.71 0.00 0.00 66.02 62.63 3g3u s SER 292 CO -0.06 0.17 0.00 -0.69 1.20 0.00 0.00 173.24 173.87 3g3u s VAL 293 N 0.32 3.68 -0.12 4.45 1.01 -0.35 -4.95 120.40 124.44 3g3u s VAL 293 Ca -0.08 -0.46 -0.05 0.00 0.00 0.00 0.00 61.98 61.39 3g3u s VAL 293 Cb -0.15 -2.73 -0.04 0.00 0.00 0.00 0.00 36.38 33.46 3g3u s VAL 293 CO 0.05 0.34 0.07 -0.54 0.00 0.00 0.00 175.10 175.02 3g3u s LYS 294 N 1.51 3.43 0.02 2.72 1.02 -1.26 -0.27 119.74 126.90 3g3u s LYS 294 Ca 0.05 -0.28 0.00 0.00 0.02 0.00 0.00 55.97 55.76 3g3u s LYS 294 Cb -0.15 -3.06 -0.01 0.00 -0.52 0.00 0.00 37.83 34.09 3g3u s LYS 294 CO -0.01 0.62 -0.03 0.00 -0.92 0.00 0.00 175.35 175.01 3g3u s ALA 295 N -0.60 0.19 0.08 5.17 0.00 -0.27 -5.01 121.76 121.32 3g3u s ALA 295 Ca 0.11 -0.43 -0.17 0.00 0.00 0.00 0.00 51.96 51.48 3g3u s ALA 295 Cb -0.12 0.07 0.03 0.00 0.00 0.00 0.00 23.12 23.11 3g3u s ALA 295 CO 0.02 -0.07 0.39 -0.98 0.00 0.00 0.00 175.76 175.13 3g3u s ARG 296 N -0.97 0.97 0.17 0.00 1.70 -1.26 -0.38 118.95 119.18 3g3u s ARG 296 Ca -0.09 -0.54 0.01 0.00 -0.47 0.00 0.00 55.73 54.64 3g3u s ARG 296 Cb -0.07 0.43 -0.04 0.00 -0.57 0.00 0.00 34.95 34.70 3g3u s ARG 296 CO -0.00 -0.35 0.04 -0.59 -1.08 0.00 0.00 175.30 173.31 3g3u s PHE 297 N -3.09 1.13 0.01 5.89 -0.12 -1.01 -4.99 117.98 115.80 3g3u s PHE 297 Ca -0.01 -1.14 0.01 0.00 -0.05 0.00 0.00 56.93 55.74 3g3u s PHE 297 Cb 0.01 -0.64 -0.04 0.00 -0.63 0.00 0.00 43.02 41.72 3g3u s PHE 297 CO -0.07 -0.36 0.03 0.00 -0.05 0.00 0.00 175.22 174.77 3g3u s ALA 298 N -3.84 3.38 -0.02 1.99 0.00 -1.26 -1.01 121.76 121.00 3g3u s ALA 298 Ca 0.27 -0.94 -0.01 0.00 0.00 0.00 0.00 51.96 51.28 3g3u s ALA 298 Cb 0.07 -1.40 0.01 0.00 0.00 0.00 0.00 23.12 21.80 3g3u s ALA 298 CO 0.05 0.67 0.05 -1.17 0.00 0.00 0.00 175.76 175.35 3g3u s LEU 299 N -1.69 1.52 0.35 0.00 2.96 -0.26 -4.95 118.68 116.61 3g3u s LEU 299 Ca 0.21 0.09 -0.28 0.00 -0.22 0.00 0.00 54.13 53.92 3g3u s LEU 299 Cb -0.12 0.09 -0.11 0.00 0.50 0.00 0.00 46.19 46.56 3g3u s LEU 299 CO 0.12 -0.06 1.43 -0.54 -1.32 0.00 0.00 176.35 175.98 3g3u s LYS 300 N 0.44 4.19 0.26 1.98 1.02 -1.26 -0.66 119.74 125.72 3g3u s LYS 300 Ca -0.04 2.45 -0.02 0.00 0.02 0.00 0.00 55.97 58.39 3g3u s LYS 300 Cb -0.05 -3.01 0.55 0.00 -0.52 0.00 0.00 37.83 34.80 3g3u s LYS 300 CO -0.01 -0.42 1.70 1.49 -0.92 0.00 0.00 175.35 177.19 3g3u h GLU 301 N 3.28 0.36 0.00 1.68 4.22 -1.55 -1.28 114.58 121.29 3g3u h GLU 301 Ca -0.50 -0.02 0.00 0.00 0.08 0.00 0.00 59.36 58.92 3g3u h GLU 301 Cb 1.23 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.40 3g3u h GLU 301 CO 0.66 0.24 0.00 2.89 -2.18 0.00 0.00 179.01 180.62 3g3u n ARG 302 N -5.07 0.05 0.00 1.92 1.85 -1.26 -1.84 116.66 112.30 3g3u n ARG 302 Ca 0.17 0.24 0.10 0.00 -1.00 0.00 0.00 57.85 57.36 3g3u n ARG 302 Cb 0.51 -1.50 -0.12 0.00 -1.05 0.00 0.00 32.46 30.31 3g3u n ARG 302 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 3g3u n HIS 303 N -1.45 0.00 0.44 2.89 8.25 -0.48 -4.72 115.22 120.15 3g3u n HIS 303 Ca 0.04 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.30 3g3u n HIS 303 Cb 0.15 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.16 3g3u n HIS 303 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 3g3u h VAL 304 N 0.04 0.09 -0.65 1.59 2.07 -1.39 -0.59 116.25 117.41 3g3u h VAL 304 Ca 0.00 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.66 3g3u h VAL 304 Cb 0.49 0.09 -0.11 0.00 -1.52 0.00 0.00 31.29 30.25 3g3u h VAL 304 CO 0.00 0.00 0.02 0.78 0.02 0.00 0.00 177.57 178.39 3g3u h ASN 305 N -1.17 -0.26 -0.36 0.57 2.35 -1.84 -0.40 115.58 114.46 3g3u h ASN 305 Ca -0.11 0.16 -0.13 0.00 -0.55 0.00 0.00 56.30 55.68 3g3u h ASN 305 Cb 0.92 0.28 -0.01 0.00 0.05 0.00 0.00 38.32 39.55 3g3u h ASN 305 CO 0.14 -0.12 -0.24 0.44 -1.65 0.00 0.00 177.43 176.01 3g3u h ASP 306 N 0.13 0.88 -0.49 5.81 3.32 -1.82 -1.61 116.42 122.64 3g3u h ASP 306 Ca 0.34 -0.33 -0.04 0.00 0.02 0.00 0.00 57.03 57.03 3g3u h ASP 306 Cb 0.57 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.85 3g3u h ASP 306 CO -0.55 1.08 0.17 0.15 -1.72 0.00 0.00 179.24 178.37 3g3u h PHE 307 N 0.75 0.78 -0.09 4.55 3.57 -0.52 0.12 116.94 126.10 3g3u h PHE 307 Ca 0.10 -0.07 -0.08 0.00 3.53 0.00 0.00 57.97 61.45 3g3u h PHE 307 Cb 0.78 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 39.28 3g3u h PHE 307 CO 0.04 0.67 -0.29 -0.07 -2.23 0.00 0.00 178.31 176.43 3g3u h LEU 308 N 0.66 0.16 0.00 0.59 3.38 -0.58 -1.38 115.31 118.13 3g3u h LEU 308 Ca 0.16 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3g3u h LEU 308 Cb 0.25 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.96 3g3u h LEU 308 CO -0.01 0.45 0.00 0.29 0.09 0.00 0.00 178.44 179.26 3g3u n LYS 309 N -4.15 0.56 -1.07 1.13 5.02 -0.65 -4.67 118.16 114.33 3g3u n LYS 309 Ca -0.01 0.02 -0.02 0.00 -2.02 0.00 0.00 58.31 56.27 3g3u n LYS 309 Cb 0.37 -1.50 -0.01 0.00 -0.02 0.00 0.00 35.03 33.87 3g3u n LYS 309 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3g3u n GLY 310 N 1.02 0.56 0.13 0.72 0.00 -0.52 -4.93 105.19 102.17 3g3u n GLY 310 Ca 0.16 -0.43 -0.20 0.00 0.00 0.00 0.00 46.02 45.55 3g3u n GLY 310 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3g3u h LYS 311 N 0.39 0.34 -5.05 1.61 1.57 -1.21 -3.42 116.57 110.80 3g3u h LYS 311 Ca -0.05 -0.58 -0.67 0.00 -1.87 0.00 0.00 60.65 57.48 3g3u h LYS 311 Cb 0.26 0.22 -0.17 0.00 0.08 0.00 0.00 32.23 32.62 3g3u h LYS 311 CO 0.07 1.23 -0.13 -0.47 -0.57 0.00 0.00 179.45 179.59 3g3u s TYR 312 N -2.60 3.16 0.69 -1.35 5.04 -0.73 -4.97 117.35 116.59 3g3u s TYR 312 Ca -0.11 -0.16 -0.11 0.00 -2.44 0.00 0.00 57.07 54.25 3g3u s TYR 312 Cb 0.06 -2.96 0.01 0.00 0.35 0.00 0.00 41.96 39.42 3g3u s TYR 312 CO 0.87 -0.67 1.08 0.95 -1.34 0.00 0.00 175.55 176.45 3g3u s THR 313 N 2.30 3.71 0.23 4.34 -4.23 -1.26 -4.35 115.64 116.38 3g3u s THR 313 Ca 0.15 0.56 -0.08 0.00 -1.18 0.00 0.00 61.69 61.14 3g3u s THR 313 Cb -0.16 -3.54 0.21 0.00 1.34 0.00 0.00 72.50 70.35 3g3u s THR 313 CO 0.14 -0.73 1.89 0.58 -0.54 0.00 0.00 174.62 175.96 3g3u h VAL 314 N -0.61 1.24 -0.31 2.29 2.07 -1.96 0.73 116.25 119.70 3g3u h VAL 314 Ca -0.45 -0.49 0.05 0.00 0.82 0.00 0.00 66.70 66.63 3g3u h VAL 314 Cb 1.24 -0.03 -0.04 0.00 -1.52 0.00 0.00 31.29 30.93 3g3u h VAL 314 CO 0.63 0.24 0.04 0.44 0.02 0.00 0.00 177.57 178.95 3g3u h ASP 315 N 1.21 -0.03 -0.63 0.57 3.32 -1.96 -0.31 116.42 118.60 3g3u h ASP 315 Ca 0.32 0.06 0.02 0.00 0.02 0.00 0.00 57.03 57.45 3g3u h ASP 315 Cb -0.09 0.09 -0.04 0.00 0.22 0.00 0.00 39.33 39.51 3g3u h ASP 315 CO -0.06 0.02 0.39 1.56 -1.72 0.00 0.00 179.24 179.43 3g3u h GLN 316 N 0.15 0.76 -0.62 3.56 4.20 -1.77 -0.35 115.11 121.04 3g3u h GLN 316 Ca 0.15 -0.05 0.07 0.00 0.06 0.00 0.00 58.65 58.88 3g3u h GLN 316 Cb 0.17 -0.17 -0.06 0.00 0.30 0.00 0.00 27.48 27.72 3g3u h GLN 316 CO -0.21 0.50 0.31 0.28 -0.67 0.00 0.00 178.83 179.04 3g3u h VAL 317 N 0.78 0.91 -0.64 -0.54 2.07 -0.13 -2.78 116.25 115.91 3g3u h VAL 317 Ca 0.25 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.57 3g3u h VAL 317 Cb 0.00 0.29 0.00 0.00 -1.52 0.00 0.00 31.29 30.06 3g3u h VAL 317 CO -0.09 0.10 0.00 0.49 0.02 0.00 0.00 177.57 178.09 3g3u n PHE 318 N -4.87 0.85 0.05 1.57 3.72 -0.19 -4.51 117.46 114.08 3g3u n PHE 318 Ca 0.08 -0.42 -0.12 0.00 -0.05 0.00 0.00 57.45 56.94 3g3u n PHE 318 Cb 0.20 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.68 3g3u n PHE 318 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3g3u h ALA 319 N 4.29 -0.06 -0.87 4.37 0.00 -0.78 -1.04 119.26 125.17 3g3u h ALA 319 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.93 3g3u h ALA 319 Cb 0.92 0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.75 3g3u h ALA 319 CO 0.00 -0.55 0.58 0.87 0.00 0.00 0.00 179.25 180.15 3g3u h LYS 320 N -0.10 1.11 -0.50 0.00 1.57 -1.79 -1.43 116.57 115.43 3g3u h LYS 320 Ca 0.02 -0.07 -0.08 0.00 -1.87 0.00 0.00 60.65 58.65 3g3u h LYS 320 Cb 0.12 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 32.16 3g3u h LYS 320 CO -0.05 0.74 0.01 1.98 -0.57 0.00 0.00 179.45 181.56 3g3u h MET 321 N 1.14 0.88 -0.15 3.15 4.05 -1.70 -2.02 114.93 120.29 3g3u h MET 321 Ca 0.33 -0.27 -0.02 0.00 -0.28 0.00 0.00 59.70 59.45 3g3u h MET 321 Cb -0.08 -0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 30.63 3g3u h MET 321 CO -0.08 0.91 0.01 0.00 0.23 0.00 0.00 176.91 177.97 3g3u h ARG 322 N 0.75 0.26 -0.75 0.39 3.08 -1.06 -2.99 114.38 114.06 3g3u h ARG 322 Ca 0.14 -0.08 0.17 0.00 0.07 0.00 0.00 59.98 60.28 3g3u h ARG 322 Cb 0.50 -0.03 -0.11 0.00 0.08 0.00 0.00 29.97 30.41 3g3u h ARG 322 CO 0.02 0.47 0.18 -0.22 -1.07 0.00 0.00 179.97 179.36 3g3u h LYS 323 N 0.02 0.26 -0.47 0.04 3.64 -1.18 -2.14 116.57 116.74 3g3u h LYS 323 Ca 0.04 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.38 3g3u h LYS 323 Cb 0.35 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.09 3g3u h LYS 323 CO 0.01 0.17 0.16 0.93 -2.27 0.00 0.00 179.45 178.45 3g3u h GLU 324 N 0.27 0.68 0.00 1.90 5.08 -1.22 -3.46 114.58 117.83 3g3u h GLU 324 Ca 0.43 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.69 3g3u h GLU 324 Cb 0.75 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.88 3g3u h GLU 324 CO -0.53 0.58 0.00 0.41 -1.00 0.00 0.00 179.01 178.48 3g3u n GLY 325 N -1.07 0.27 0.43 -3.84 0.00 -0.81 -4.92 105.19 95.25 3g3u n GLY 325 Ca 0.03 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.88 3g3u n GLY 325 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3g3u h LYS 326 N 0.60 -1.01 -6.62 1.61 1.79 -1.87 -3.44 116.57 107.62 3g3u h LYS 326 Ca 0.00 0.07 -0.51 0.00 -2.18 0.00 0.00 60.65 58.03 3g3u h LYS 326 Cb 0.46 0.23 -0.01 0.00 -1.58 0.00 0.00 32.23 31.32 3g3u h LYS 326 CO 0.00 -0.66 0.38 0.15 -1.08 0.00 0.00 179.45 178.24 3g3u s LYS 327 N -5.42 4.70 0.62 3.15 1.02 -1.26 -5.01 119.74 117.54 3g3u s LYS 327 Ca -0.17 1.52 -0.18 0.00 0.02 0.00 0.00 55.97 57.16 3g3u s LYS 327 Cb 0.02 -3.34 -0.05 0.00 -0.52 0.00 0.00 37.83 33.94 3g3u s LYS 327 CO 0.54 0.24 0.85 -2.30 -0.92 0.00 0.00 175.35 173.75 3g3u n PRO 328 N 2.47 0.72 -0.24 -1.68 -0.02 -1.26 -4.74 135.00 130.25 3g3u n PRO 328 Ca 0.02 0.29 -0.06 0.00 -2.02 0.00 0.00 63.50 61.73 3g3u n PRO 328 Cb 0.48 -2.06 0.05 0.00 -0.02 0.00 0.00 33.50 31.95 3g3u n PRO 328 CO 0.00 0.00 0.00 0.52 1.98 0.00 0.00 175.50 178.00 3g3u h MET 329 N 0.27 0.91 -0.67 -0.52 2.86 -1.95 -2.09 114.93 113.75 3g3u h MET 329 Ca -0.48 -0.08 -0.00 0.00 -2.06 0.00 0.00 59.70 57.08 3g3u h MET 329 Cb 1.37 -0.19 -0.03 0.00 0.06 0.00 0.00 31.60 32.80 3g3u h MET 329 CO 0.49 0.64 0.40 -2.95 1.06 0.00 0.00 176.91 176.55 3g3u h ASN 330 N 0.92 0.80 -0.94 1.22 -1.07 -1.99 0.78 115.58 115.30 3g3u h ASN 330 Ca 0.24 -0.06 -0.01 0.00 0.07 0.00 0.00 56.30 56.54 3g3u h ASN 330 Cb -0.04 -0.20 -0.05 0.00 -2.07 0.00 0.00 38.32 35.96 3g3u h ASN 330 CO -0.05 0.63 0.56 -0.33 0.07 0.00 0.00 177.43 178.31 3g3u h GLU 331 N 0.90 1.28 -0.37 4.14 5.08 -1.84 -1.09 114.58 122.68 3g3u h GLU 331 Ca 0.24 -0.12 -0.03 0.00 -1.00 0.00 0.00 59.36 58.45 3g3u h GLU 331 Cb -0.03 -0.27 -0.02 0.00 0.50 0.00 0.00 28.75 28.94 3g3u h GLU 331 CO -0.04 0.90 0.11 0.82 -1.00 0.00 0.00 179.01 179.79 3g3u h ILE 332 N 1.30 1.22 -0.63 3.13 2.04 -0.66 -1.66 117.51 122.24 3g3u h ILE 332 Ca 0.34 -0.72 -0.03 0.00 1.00 0.00 0.00 64.86 65.45 3g3u h ILE 332 Cb -0.05 0.99 -0.03 0.00 -0.74 0.00 0.00 36.82 36.99 3g3u h ILE 332 CO -0.06 0.25 0.28 -0.33 0.00 0.00 0.00 178.15 178.29 3g3u h GLU 333 N 0.45 0.91 -0.24 2.37 5.08 -0.47 -0.83 114.58 121.84 3g3u h GLU 333 Ca 0.12 -0.13 -0.15 0.00 -1.00 0.00 0.00 59.36 58.20 3g3u h GLU 333 Cb 0.27 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 3g3u h GLU 333 CO -0.00 0.72 -0.46 -0.91 -1.00 0.00 0.00 179.01 177.36 3g3u h ASN 334 N 0.90 0.68 -0.61 1.42 2.35 -1.11 -1.43 115.58 117.77 3g3u h ASN 334 Ca 0.22 -0.32 -0.06 0.00 -0.55 0.00 0.00 56.30 55.58 3g3u h ASN 334 Cb 0.13 -0.19 -0.03 0.00 0.05 0.00 0.00 38.32 38.28 3g3u h ASN 334 CO -0.02 1.03 0.15 -0.07 -1.65 0.00 0.00 177.43 176.87 3g3u h LEU 335 N 0.50 0.93 -0.70 1.61 3.38 -0.92 -1.91 115.31 118.20 3g3u h LEU 335 Ca 0.03 -0.23 -0.06 0.00 0.09 0.00 0.00 57.88 57.71 3g3u h LEU 335 Cb 0.99 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.46 3g3u h LEU 335 CO 0.09 0.92 0.20 -0.33 0.09 0.00 0.00 178.44 179.41 3g3u h GLU 336 N 0.89 1.10 -0.56 1.13 5.08 -1.11 -1.07 114.58 120.04 3g3u h GLU 336 Ca 0.19 -0.25 0.03 0.00 -1.00 0.00 0.00 59.36 58.34 3g3u h GLU 336 Cb 0.35 -0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.41 3g3u h GLU 336 CO 0.00 0.95 0.33 0.00 -1.00 0.00 0.00 179.01 179.30 3g3u h ALA 337 N 1.09 0.72 -0.23 3.43 0.00 -1.14 0.95 119.26 124.09 3g3u h ALA 337 Ca 0.22 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.18 3g3u h ALA 337 Cb 0.33 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.91 3g3u h ALA 337 CO -0.00 0.04 -0.11 1.25 0.00 0.00 0.00 179.25 180.42 3g3u h LEU 338 N 0.65 -0.38 -0.60 0.00 5.85 -0.98 0.14 115.31 119.99 3g3u h LEU 338 Ca 0.23 0.09 -0.03 0.00 0.84 0.00 0.00 57.88 59.01 3g3u h LEU 338 Cb 0.05 0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.26 3g3u h LEU 338 CO -0.11 -0.15 0.26 0.00 -0.34 0.00 0.00 178.44 178.10 3g3u h ALA 339 N 1.11 0.77 -0.42 1.25 0.00 -0.88 -0.78 119.26 120.31 3g3u h ALA 339 Ca 0.13 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.90 3g3u h ALA 339 Cb 0.27 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 3g3u h ALA 339 CO -0.29 0.37 0.24 0.77 0.00 0.00 0.00 179.25 180.34 3g3u h SER 340 N 0.82 0.39 -0.61 0.00 0.02 -0.52 0.24 113.55 113.89 3g3u h SER 340 Ca 0.20 0.01 0.02 0.00 -0.84 0.00 0.00 61.79 61.18 3g3u h SER 340 Cb 0.17 -0.08 -0.04 0.00 0.14 0.00 0.00 62.40 62.59 3g3u h SER 340 CO -0.02 0.28 0.39 -0.33 -1.14 0.00 0.00 176.83 176.01 3g3u h GLU 341 N 0.49 0.75 -0.08 3.45 5.08 -0.62 0.46 114.58 124.11 3g3u h GLU 341 Ca 0.17 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.47 3g3u h GLU 341 Cb 0.02 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.09 3g3u h GLU 341 CO -0.08 0.49 -0.02 0.82 -1.00 0.00 0.00 179.01 179.22 3g3u h ILE 342 N 0.77 1.29 -0.88 3.13 2.04 -0.94 -1.97 117.51 120.95 3g3u h ILE 342 Ca 0.24 -0.94 0.01 0.00 1.00 0.00 0.00 64.86 65.17 3g3u h ILE 342 Cb -0.01 1.77 -0.04 0.00 -0.74 0.00 0.00 36.82 37.79 3g3u h ILE 342 CO -0.09 0.26 0.58 -0.61 0.00 0.00 0.00 178.15 178.30 3g3u h GLN 343 N -0.18 1.15 0.15 2.37 4.15 -0.81 -1.19 115.11 120.74 3g3u h GLN 343 Ca 0.02 -0.07 0.01 0.00 0.77 0.00 0.00 58.65 59.38 3g3u h GLN 343 Cb 0.42 -0.26 -0.03 0.00 0.21 0.00 0.00 27.48 27.83 3g3u h GLN 343 CO 0.01 0.76 -0.22 -0.92 -1.93 0.00 0.00 178.83 176.53 3g3u h TYR 344 N 1.18 -0.58 -0.33 3.99 3.20 -0.78 -2.21 116.97 121.44 3g3u h TYR 344 Ca 0.33 0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.23 3g3u h TYR 344 Cb -0.12 0.24 -0.03 0.00 1.54 0.00 0.00 36.73 38.36 3g3u h TYR 344 CO -0.01 -0.32 0.15 0.28 -1.64 0.00 0.00 178.16 176.62 3g3u h VAL 345 N -0.43 0.96 -0.60 1.81 2.07 -1.04 0.48 116.25 119.50 3g3u h VAL 345 Ca 0.02 -0.11 0.12 0.00 0.82 0.00 0.00 66.70 67.55 3g3u h VAL 345 Cb 0.44 0.62 -0.10 0.00 -1.52 0.00 0.00 31.29 30.73 3g3u h VAL 345 CO -0.10 0.06 0.01 -0.03 0.02 0.00 0.00 177.57 177.52 3g3u h MET 346 N 0.31 0.12 -0.03 1.57 1.85 -1.13 0.50 114.93 118.12 3g3u h MET 346 Ca 0.14 -0.01 -0.10 0.00 -0.61 0.00 0.00 59.70 59.13 3g3u h MET 346 Cb 0.07 -0.03 0.01 0.00 0.43 0.00 0.00 31.60 32.08 3g3u h MET 346 CO -0.11 0.08 -0.37 -0.07 -0.40 0.00 0.00 176.91 176.04 3g3u h LEU 347 N 0.12 0.37 -0.48 3.39 3.38 -1.05 -0.85 115.31 120.19 3g3u h LEU 347 Ca 0.31 -0.72 -0.04 0.00 0.09 0.00 0.00 57.88 57.52 3g3u h LEU 347 Cb 0.50 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 3g3u h LEU 347 CO -0.51 1.04 0.16 0.50 0.09 0.00 0.00 178.44 179.72 3g3u h LYS 348 N -0.27 0.74 -0.33 1.13 1.63 0.54 -2.77 116.57 117.23 3g3u h LYS 348 Ca -0.04 -0.16 0.00 0.00 -0.85 0.00 0.00 60.65 59.61 3g3u h LYS 348 Cb 1.07 -0.11 0.00 0.00 -0.60 0.00 0.00 32.23 32.59 3g3u h LYS 348 CO 0.07 0.69 0.00 1.63 -3.45 0.00 0.00 179.45 178.40 3g3u n LYS 349 N -4.53 2.08 -3.83 1.90 5.02 0.17 -4.95 118.16 114.03 3g3u n LYS 349 Ca 0.01 -1.65 -0.25 0.00 -2.02 0.00 0.00 58.31 54.40 3g3u n LYS 349 Cb 0.18 -1.43 0.02 0.00 -0.02 0.00 0.00 35.03 33.79 3g3u n LYS 349 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3g3u n LYS 350 N 0.86 -4.79 -1.94 1.97 4.76 -0.96 -4.59 118.16 113.47 3g3u n LYS 350 Ca 0.17 0.57 -0.36 0.00 -2.87 0.00 0.00 58.31 55.82 3g3u n LYS 350 Cb 0.44 -5.17 0.04 0.00 -1.84 0.00 0.00 35.03 28.50 3g3u n LYS 350 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3g3u s LEU 351 N -6.93 3.63 0.17 -0.35 1.43 -0.36 -4.50 118.68 111.77 3g3u s LEU 351 Ca 0.24 2.42 -0.08 0.00 -1.03 0.00 0.00 54.13 55.68 3g3u s LEU 351 Cb -0.12 -4.60 -0.01 0.00 0.03 0.00 0.00 46.19 41.48 3g3u s LEU 351 CO 0.83 -1.69 0.26 0.00 0.23 0.00 0.00 176.35 175.98 3g3u s ARG 352 N -3.38 1.16 0.29 1.70 1.04 -0.03 -4.91 118.95 114.83 3g3u s ARG 352 Ca 0.78 -1.25 -0.30 0.00 -1.04 0.00 0.00 55.73 53.92 3g3u s ARG 352 Cb -0.31 0.36 -0.12 0.00 -2.04 0.00 0.00 34.95 32.84 3g3u s ARG 352 CO 0.35 -0.42 1.55 -2.30 -0.04 0.00 0.00 175.30 174.44 3g3u n PRO 353 N -0.22 2.56 0.00 3.89 -0.02 -1.26 -1.67 135.00 138.29 3g3u n PRO 353 Ca -0.06 0.91 0.00 0.00 -2.02 0.00 0.00 63.50 62.33 3g3u n PRO 353 Cb 0.63 -2.66 0.00 0.00 -0.02 0.00 0.00 33.50 31.45 3g3u n PRO 353 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3g3u n VAL 354 N 1.93 0.00 -3.79 -1.45 0.31 -0.01 -3.44 118.33 111.89 3g3u n VAL 354 Ca 0.08 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.29 3g3u n VAL 354 Cb 0.36 -0.91 -0.11 0.00 -0.91 0.00 0.00 33.84 32.27 3g3u n VAL 354 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3g3u s VAL 355 N -1.90 0.00 -0.15 2.52 0.11 -1.11 -1.20 120.40 118.68 3g3u s VAL 355 Ca 0.00 -0.02 -0.07 0.00 -2.93 0.00 0.00 61.98 58.96 3g3u s VAL 355 Cb 0.00 -0.36 -0.04 0.00 -1.53 0.00 0.00 36.38 34.45 3g3u s VAL 355 CO 0.00 -0.01 0.09 -0.60 -3.33 0.00 0.00 175.10 171.25 3g3u s ARG 356 N 0.09 3.70 -0.11 1.54 3.52 0.57 -0.11 118.95 128.15 3g3u s ARG 356 Ca -0.00 -0.26 -0.03 0.00 -0.13 0.00 0.00 55.73 55.31 3g3u s ARG 356 Cb -0.02 -3.19 -0.03 0.00 -1.56 0.00 0.00 34.95 30.15 3g3u s ARG 356 CO 0.00 0.51 0.00 -1.54 -0.81 0.00 0.00 175.30 173.46 3g3u s SER 357 N -0.27 5.22 0.03 -2.12 1.04 -0.20 -0.94 113.70 116.46 3g3u s SER 357 Ca 0.09 0.10 0.07 0.00 0.48 0.00 0.00 55.95 56.69 3g3u s SER 357 Cb -0.12 -1.58 -0.02 0.00 0.10 0.00 0.00 66.02 64.40 3g3u s SER 357 CO 0.01 0.33 -0.20 0.12 0.98 0.00 0.00 173.24 174.48 3g3u s PHE 358 N -0.57 1.72 0.18 5.02 5.36 0.34 -1.43 117.98 128.61 3g3u s PHE 358 Ca 0.10 -0.36 -0.23 0.00 -0.96 0.00 0.00 56.93 55.47 3g3u s PHE 358 Cb -0.12 -1.05 0.05 0.00 -0.34 0.00 0.00 43.02 41.57 3g3u s PHE 358 CO 0.02 0.05 0.76 1.52 -1.46 0.00 0.00 175.22 176.12 3g3u s TYR 359 N -0.71 -0.30 -0.20 10.12 -0.85 -1.03 -0.40 117.35 123.98 3g3u s TYR 359 Ca 0.07 -0.02 -0.09 0.00 -0.52 0.00 0.00 57.07 56.51 3g3u s TYR 359 Cb -0.08 0.63 -0.04 0.00 0.38 0.00 0.00 41.96 42.84 3g3u s TYR 359 CO 0.01 -0.95 0.09 -0.80 -1.52 0.00 0.00 175.55 172.38 3g3u s ASN 360 N -2.82 5.81 -0.13 -0.18 0.01 0.10 -1.30 114.94 116.43 3g3u s ASN 360 Ca 0.08 0.10 -0.01 0.00 -0.71 0.00 0.00 52.86 52.32 3g3u s ASN 360 Cb -0.03 -2.01 -0.02 0.00 0.41 0.00 0.00 41.25 39.60 3g3u s ASN 360 CO -0.02 0.14 -0.11 -0.60 -1.51 0.00 0.00 177.10 175.00 3g3u s ARG 361 N 0.58 3.40 -0.15 -0.60 3.52 -0.64 -0.69 118.95 124.37 3g3u s ARG 361 Ca 0.05 -0.66 -0.06 0.00 -0.13 0.00 0.00 55.73 54.93 3g3u s ARG 361 Cb -0.12 -2.67 -0.04 0.00 -1.56 0.00 0.00 34.95 30.56 3g3u s ARG 361 CO 0.01 0.24 0.06 0.99 -0.81 0.00 0.00 175.30 175.78 3g3u s THR 362 N 0.30 4.77 -0.30 4.11 2.01 -0.37 -4.82 115.64 121.34 3g3u s THR 362 Ca -0.09 -0.05 -0.05 0.00 0.31 0.00 0.00 61.69 61.81 3g3u s THR 362 Cb -0.15 -3.11 0.03 0.00 0.01 0.00 0.00 72.50 69.27 3g3u s THR 362 CO 0.05 0.52 0.06 0.00 -0.69 0.00 0.00 174.62 174.56 3g3u s ALA 363 N -0.13 2.98 -0.30 7.40 0.00 -1.26 -1.50 121.76 128.95 3g3u s ALA 363 Ca 0.07 -1.59 -0.13 0.00 0.00 0.00 0.00 51.96 50.30 3g3u s ALA 363 Cb -0.12 -2.10 -0.03 0.00 0.00 0.00 0.00 23.12 20.86 3g3u s ALA 363 CO 0.01 -1.09 0.29 -0.06 0.00 0.00 0.00 175.76 174.91 3g3u s PHE 364 N 1.41 3.23 -0.29 0.00 0.08 0.79 -1.61 117.98 121.59 3g3u s PHE 364 Ca -0.00 0.14 -0.16 0.00 0.12 0.00 0.00 56.93 57.02 3g3u s PHE 364 Cb -0.18 -2.51 0.16 0.00 -0.57 0.00 0.00 43.02 39.91 3g3u s PHE 364 CO 0.01 -0.26 1.04 -1.14 -0.10 0.00 0.00 175.22 174.77 3g3u s GLN 365 N 1.91 0.31 -0.43 0.44 0.74 -0.65 -1.41 119.66 120.57 3g3u s GLN 365 Ca 0.10 0.53 -0.20 0.00 0.05 0.00 0.00 55.36 55.85 3g3u s GLN 365 Cb -0.16 0.07 0.02 0.00 1.10 0.00 0.00 33.01 34.04 3g3u s GLN 365 CO 0.11 -0.06 0.60 -0.48 -0.55 0.00 0.00 175.29 174.90 3g3u s LEU 366 N 1.23 4.56 0.44 3.68 0.05 -1.26 -4.33 118.68 123.04 3g3u s LEU 366 Ca -0.08 -0.37 -0.22 0.00 0.05 0.00 0.00 54.13 53.50 3g3u s LEU 366 Cb -0.03 -2.66 -0.12 0.00 -2.05 0.00 0.00 46.19 41.33 3g3u s LEU 366 CO -0.14 -0.72 0.66 -2.65 -0.55 0.00 0.00 176.35 172.95 3g3u n PRO 367 N 6.10 0.73 -1.49 1.48 -0.02 -1.26 -1.48 135.00 139.06 3g3u n PRO 367 Ca -0.03 0.27 -0.14 0.00 -2.02 0.00 0.00 63.50 61.58 3g3u n PRO 367 Cb 0.48 -1.65 -0.05 0.00 -0.02 0.00 0.00 33.50 32.26 3g3u n PRO 367 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3g3u n GLY 368 N 1.64 1.25 2.77 -1.23 0.00 -1.26 -4.96 105.19 103.40 3g3u n GLY 368 Ca 0.11 -0.38 -0.17 0.00 0.00 0.00 0.00 46.02 45.59 3g3u n GLY 368 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3g3u s ASP 369 N -2.80 1.48 0.00 1.61 2.15 -0.55 -5.01 116.67 113.55 3g3u s ASP 369 Ca 0.00 -0.95 0.20 0.00 0.43 0.00 0.00 52.55 52.23 3g3u s ASP 369 Cb 0.00 0.55 0.56 0.00 -0.30 0.00 0.00 42.92 43.73 3g3u s ASP 369 CO 0.00 -0.35 1.45 0.00 -0.17 0.00 0.00 175.17 176.10 3g3u n ALA 370 N 5.04 2.46 -0.33 3.66 0.00 -1.26 -4.28 120.51 125.80 3g3u n ALA 370 Ca 0.01 -0.77 0.12 0.00 0.00 0.00 0.00 53.44 52.80 3g3u n ALA 370 Cb 0.46 -0.98 0.30 0.00 0.00 0.00 0.00 19.45 19.22 3g3u n ALA 370 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 3g3u h ARG 371 N 3.14 0.64 -3.33 0.00 -0.00 -1.91 -3.21 114.38 109.72 3g3u h ARG 371 Ca 0.00 -0.04 -0.27 0.00 -0.00 0.00 0.00 59.98 59.67 3g3u h ARG 371 Cb 0.70 -0.15 -0.33 0.00 -0.00 0.00 0.00 29.97 30.19 3g3u h ARG 371 CO 0.00 0.43 -0.65 0.54 -0.00 0.00 0.00 179.97 180.29 3g3u s VAL 372 N -5.89 -0.07 -0.04 0.08 0.11 -1.26 -1.19 120.40 112.14 3g3u s VAL 372 Ca -0.11 0.22 0.00 0.00 -2.93 0.00 0.00 61.98 59.15 3g3u s VAL 372 Cb 0.24 -0.19 0.02 0.00 -1.53 0.00 0.00 36.38 34.93 3g3u s VAL 372 CO 0.79 0.09 -0.02 -0.13 -3.33 0.00 0.00 175.10 172.50 3g3u s ARG 373 N 1.26 0.62 -0.03 1.54 0.52 -0.15 -4.64 118.95 118.06 3g3u s ARG 373 Ca -0.08 -0.01 0.03 0.00 -0.52 0.00 0.00 55.73 55.15 3g3u s ARG 373 Cb -0.12 -0.74 0.00 0.00 0.52 0.00 0.00 34.95 34.61 3g3u s ARG 373 CO -0.05 -0.13 -0.11 0.42 0.02 0.00 0.00 175.30 175.44 3g3u s ILE 374 N 1.12 0.98 -0.04 1.52 1.01 -0.50 -0.27 121.20 125.02 3g3u s ILE 374 Ca -0.08 -0.46 0.07 0.00 0.00 0.00 0.00 60.65 60.17 3g3u s ILE 374 Cb -0.14 -0.87 -0.01 0.00 0.01 0.00 0.00 42.46 41.45 3g3u s ILE 374 CO -0.01 0.30 -0.24 -0.94 0.00 0.00 0.00 174.94 174.05 3g3u s SER 375 N 0.21 2.92 -0.18 3.58 1.04 -0.58 -0.15 113.70 120.55 3g3u s SER 375 Ca -0.04 -0.47 0.01 0.00 0.48 0.00 0.00 55.95 55.92 3g3u s SER 375 Cb -0.10 -0.62 0.02 0.00 0.10 0.00 0.00 66.02 65.42 3g3u s SER 375 CO 0.01 0.26 -0.20 -0.22 0.98 0.00 0.00 173.24 174.08 3g3u s LEU 376 N -0.30 2.09 -0.20 2.42 2.96 -0.56 -1.10 118.68 123.99 3g3u s LEU 376 Ca 0.01 -0.63 -0.05 0.00 -0.22 0.00 0.00 54.13 53.24 3g3u s LEU 376 Cb -0.12 -1.45 -0.02 0.00 0.50 0.00 0.00 46.19 45.10 3g3u s LEU 376 CO 0.02 -0.00 -0.01 -1.81 -1.32 0.00 0.00 176.35 173.23 3g3u s ASP 377 N 1.29 4.76 0.37 3.68 1.01 0.54 -1.24 116.67 127.08 3g3u s ASP 377 Ca 0.04 -0.22 0.06 0.00 0.71 0.00 0.00 52.55 53.14 3g3u s ASP 377 Cb -0.13 -1.81 -0.07 0.00 1.01 0.00 0.00 42.92 41.91 3g3u s ASP 377 CO -0.12 0.06 0.02 0.42 0.21 0.00 0.00 175.17 175.76 3g3u s THR 378 N 1.05 1.66 -1.26 -1.27 -4.23 0.14 -0.73 115.64 110.99 3g3u s THR 378 Ca 0.02 -2.01 -0.04 0.00 -1.18 0.00 0.00 61.69 58.47 3g3u s THR 378 Cb -0.14 -2.88 0.03 0.00 1.34 0.00 0.00 72.50 70.84 3g3u s THR 378 CO 0.01 -0.02 0.29 -0.62 -0.54 0.00 0.00 174.62 173.75 3g3u n GLU 379 N -0.83 -3.11 -1.79 3.99 4.71 -1.26 -0.72 120.64 121.62 3g3u n GLU 379 Ca -0.04 0.62 -0.42 0.00 -0.01 0.00 0.00 57.16 57.32 3g3u n GLU 379 Cb 0.67 -5.31 -0.03 0.00 -1.01 0.00 0.00 31.44 25.75 3g3u n GLU 379 CO 0.00 0.00 0.00 -1.17 0.09 0.00 0.00 177.13 176.05 3g3u s LEU 380 N -6.15 4.37 -0.04 -4.62 2.96 -1.26 -4.39 118.68 109.56 3g3u s LEU 380 Ca 0.20 2.82 -0.03 0.00 -0.22 0.00 0.00 54.13 56.90 3g3u s LEU 380 Cb -0.10 -3.60 0.01 0.00 0.50 0.00 0.00 46.19 42.99 3g3u s LEU 380 CO 0.25 -0.93 0.09 -0.89 -1.32 0.00 0.00 176.35 173.56 3g3u s THR 381 N 1.00 -0.00 -0.05 3.68 2.01 0.46 -1.64 115.64 121.10 3g3u s THR 381 Ca 0.72 0.01 0.06 0.00 0.31 0.00 0.00 61.69 62.78 3g3u s THR 381 Cb -0.48 -0.14 -0.02 0.00 0.01 0.00 0.00 72.50 71.87 3g3u s THR 381 CO 0.34 0.00 -0.23 -0.04 -0.69 0.00 0.00 174.62 174.00 3g3u s MET 382 N 0.09 2.48 -0.02 4.92 -1.94 -0.30 -0.50 119.30 124.03 3g3u s MET 382 Ca -0.00 -0.87 0.05 0.00 -1.71 0.00 0.00 55.69 53.16 3g3u s MET 382 Cb -0.01 -2.19 -0.01 0.00 2.01 0.00 0.00 34.83 34.63 3g3u s MET 382 CO -0.00 0.45 -0.16 0.08 -0.01 0.00 0.00 175.02 175.38 3g3u s VAL 383 N -0.33 1.28 0.24 -6.03 1.01 -0.11 -0.33 120.40 116.12 3g3u s VAL 383 Ca 0.02 -0.68 -0.30 0.00 0.00 0.00 0.00 61.98 61.01 3g3u s VAL 383 Cb -0.12 -1.07 -0.10 0.00 0.00 0.00 0.00 36.38 35.08 3g3u s VAL 383 CO 0.02 0.36 1.44 -0.13 0.00 0.00 0.00 175.10 176.79 3g3u s ARG 384 N -0.29 4.27 0.00 2.72 0.52 0.03 -0.31 118.95 125.88 3g3u s ARG 384 Ca 0.04 2.28 0.00 0.00 -0.52 0.00 0.00 55.73 57.54 3g3u s ARG 384 Cb -0.07 -3.12 0.00 0.00 0.52 0.00 0.00 34.95 32.28 3g3u s ARG 384 CO -0.00 -0.42 0.42 0.39 0.02 0.00 0.00 175.30 175.71 3g3u n GLU 385 N 2.49 -0.13 -2.11 3.54 -0.58 -0.34 -4.84 120.64 118.67 3g3u n GLU 385 Ca 0.07 -0.49 -0.27 0.00 -0.42 0.00 0.00 57.16 56.06 3g3u n GLU 385 Cb 0.40 -0.82 0.07 0.00 -0.57 0.00 0.00 31.44 30.52 3g3u n GLU 385 CO 0.00 0.00 0.00 0.16 -0.48 0.00 0.00 177.13 176.81 3g3u s ASP 386 N -0.13 4.77 -0.27 1.62 -4.77 -1.13 -4.39 116.67 112.36 3g3u s ASP 386 Ca 0.00 0.57 0.09 0.00 -3.30 0.00 0.00 52.55 49.91 3g3u s ASP 386 Cb 0.00 -1.19 0.45 0.00 -1.09 0.00 0.00 42.92 41.08 3g3u s ASP 386 CO 0.00 -1.66 1.27 -0.46 0.70 0.00 0.00 175.17 175.02 3g3u n ASN 387 N -3.03 3.32 0.22 2.11 6.94 -1.25 -4.04 115.26 119.54 3g3u n ASN 387 Ca 0.08 -3.83 0.15 0.00 -0.02 0.00 0.00 54.58 50.96 3g3u n ASN 387 Cb 0.60 -0.48 0.49 0.00 -2.36 0.00 0.00 39.78 38.03 3g3u n ASN 387 CO 0.00 0.00 0.00 -0.26 -1.03 0.00 0.00 177.26 175.97 3g3u h PHE 388 N 1.51 0.00 -0.52 -2.53 0.04 -1.96 -1.83 116.94 111.65 3g3u h PHE 388 Ca 0.20 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.90 3g3u h PHE 388 Cb 1.30 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 39.40 3g3u h PHE 388 CO 0.86 0.00 0.08 -0.40 -0.60 0.00 0.00 178.31 178.25 3g3u n ASP 389 N -2.88 4.75 0.00 2.17 3.85 -1.26 -4.93 116.55 118.24 3g3u n ASP 389 Ca 0.02 -3.10 0.00 0.00 -0.71 0.00 0.00 54.79 51.00 3g3u n ASP 389 Cb 0.36 -0.66 0.00 0.00 -1.35 0.00 0.00 41.12 39.47 3g3u n ASP 389 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3g3u n GLY 390 N -0.05 2.38 3.64 6.12 0.00 -0.69 -5.01 105.19 111.58 3g3u n GLY 390 Ca 0.30 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.90 3g3u n GLY 390 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3g3u s VAL 391 N -2.92 4.80 -1.39 1.61 1.01 -1.26 -4.96 120.40 117.30 3g3u s VAL 391 Ca 0.00 1.50 -0.14 0.00 0.00 0.00 0.00 61.98 63.34 3g3u s VAL 391 Cb 0.00 -4.14 0.08 0.00 0.00 0.00 0.00 36.38 32.31 3g3u s VAL 391 CO 0.00 -0.14 2.04 -0.67 0.00 0.00 0.00 175.10 176.33 3g3u n ASP 392 N 6.11 4.36 0.07 3.32 -0.08 -1.26 -3.76 116.55 125.30 3g3u n ASP 392 Ca 0.06 -2.92 0.13 0.00 -1.51 0.00 0.00 54.79 50.55 3g3u n ASP 392 Cb 0.48 -1.63 0.61 0.00 2.34 0.00 0.00 41.12 42.92 3g3u n ASP 392 CO 0.00 0.00 0.00 0.03 0.12 0.00 0.00 177.20 177.35 3g3u h ARG 393 N 6.23 0.13 -0.01 -0.67 3.08 -1.84 -1.93 114.38 119.36 3g3u h ARG 393 Ca 0.50 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.54 3g3u h ARG 393 Cb 0.68 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.70 3g3u h ARG 393 CO 1.74 0.09 -0.41 0.25 -1.07 0.00 0.00 179.97 180.57 3g3u n THR 394 N -4.46 0.00 -2.73 2.04 -2.24 -1.26 -4.59 114.28 101.04 3g3u n THR 394 Ca 0.05 -0.30 -0.21 0.00 -2.27 0.00 0.00 64.05 61.32 3g3u n THR 394 Cb 0.33 1.23 0.01 0.00 -2.10 0.00 0.00 70.33 69.81 3g3u n THR 394 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3g3u n HIS 395 N -0.04 -1.51 -1.05 4.78 8.25 -0.73 -0.64 115.22 124.29 3g3u n HIS 395 Ca 0.08 0.26 -0.02 0.00 -0.26 0.00 0.00 57.72 57.79 3g3u n HIS 395 Cb 0.41 -4.12 -0.01 0.00 1.12 0.00 0.00 29.99 27.39 3g3u n HIS 395 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3g3u n LYS 396 N -3.51 -0.76 -2.00 -0.41 5.02 -1.26 -5.04 118.16 110.20 3g3u n LYS 396 Ca -0.17 0.33 -0.29 0.00 -2.02 0.00 0.00 58.31 56.16 3g3u n LYS 396 Cb 0.65 -3.98 0.06 0.00 -0.02 0.00 0.00 35.03 31.73 3g3u n LYS 396 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 3g3u s ASN 397 N -2.19 5.17 0.21 4.39 2.47 0.19 -4.98 114.94 120.20 3g3u s ASN 397 Ca 0.00 0.91 0.24 0.00 0.42 0.00 0.00 52.86 54.43 3g3u s ASN 397 Cb 0.00 -1.65 0.91 0.00 -1.45 0.00 0.00 41.25 39.06 3g3u s ASN 397 CO 0.00 -1.46 1.73 -2.67 -3.72 0.00 0.00 177.10 170.98 3g3u n TRP 398 N -3.01 0.78 -3.79 0.43 4.27 -1.26 -4.78 117.44 110.08 3g3u n TRP 398 Ca 0.07 0.27 -0.12 0.00 -3.89 0.00 0.00 57.50 53.83 3g3u n TRP 398 Cb 0.59 -0.94 -0.09 0.00 -1.36 0.00 0.00 31.31 29.51 3g3u n TRP 398 CO 0.00 0.00 0.00 -0.98 -2.29 0.00 0.00 177.69 174.42 3g3u s ARG 399 N -3.20 0.67 0.66 -2.67 1.70 -1.26 -4.74 118.95 110.10 3g3u s ARG 399 Ca 0.07 -0.35 -0.17 0.00 -0.47 0.00 0.00 55.73 54.81 3g3u s ARG 399 Cb 0.11 0.29 -0.00 0.00 -0.57 0.00 0.00 34.95 34.78 3g3u s ARG 399 CO 0.47 -0.19 1.25 1.03 -1.08 0.00 0.00 175.30 176.78 3g3u s ARG 400 N -1.74 2.53 0.00 3.89 0.52 -1.26 -4.80 118.95 118.09 3g3u s ARG 400 Ca -0.11 1.93 0.00 0.00 -0.52 0.00 0.00 55.73 57.03 3g3u s ARG 400 Cb -0.04 -1.86 0.00 0.00 0.52 0.00 0.00 34.95 33.57 3g3u s ARG 400 CO 0.01 -1.58 0.87 0.25 0.02 0.00 0.00 175.30 174.87 3g3u n THR 401 N -2.06 0.74 1.23 0.02 -2.24 -1.26 -4.55 114.28 106.17 3g3u n THR 401 Ca 0.15 -0.85 0.13 0.00 -2.27 0.00 0.00 64.05 61.20 3g3u n THR 401 Cb 0.49 0.64 0.38 0.00 -2.10 0.00 0.00 70.33 69.74 3g3u n THR 401 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3g3u n ASP 402 N -0.37 2.02 -4.16 3.42 5.75 -1.26 -4.84 116.55 117.11 3g3u n ASP 402 Ca 0.00 -1.69 -0.11 0.00 -0.01 0.00 0.00 54.79 52.97 3g3u n ASP 402 Cb 0.20 -0.04 -0.10 0.00 -1.03 0.00 0.00 41.12 40.14 3g3u n ASP 402 CO 0.00 0.00 0.00 0.27 -0.11 0.00 0.00 177.20 177.36 3g3u s ILE 403 N -1.91 0.71 0.00 2.12 -4.36 -1.26 -4.98 121.20 111.52 3g3u s ILE 403 Ca 0.35 -1.80 0.00 0.00 -0.26 0.00 0.00 60.65 58.94 3g3u s ILE 403 Cb 0.20 -1.51 0.00 0.00 1.25 0.00 0.00 42.46 42.40 3g3u s ILE 403 CO 0.31 -0.77 0.00 0.61 0.24 0.00 0.00 174.94 175.33 3g3u n GLY 404 N 0.21 1.77 0.27 6.27 0.00 -1.26 -4.98 105.19 107.46 3g3u n GLY 404 Ca -0.14 -0.04 0.09 0.00 0.00 0.00 0.00 46.02 45.94 3g3u n GLY 404 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3g3u n VAL 405 N 0.00 1.99 -1.31 1.61 0.24 -1.26 -4.90 118.33 114.69 3g3u n VAL 405 Ca 0.00 -2.24 -0.38 0.00 -2.04 0.00 0.00 64.34 59.68 3g3u n VAL 405 Cb 0.00 -0.24 -0.03 0.00 -1.47 0.00 0.00 33.84 32.10 3g3u n VAL 405 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 3g3u n ASP 406 N -1.24 8.01 -4.59 -1.34 5.75 -1.26 -4.94 116.55 116.94 3g3u n ASP 406 Ca 0.17 -2.58 -0.42 0.00 -0.01 0.00 0.00 54.79 51.95 3g3u n ASP 406 Cb 0.70 -1.54 0.00 0.00 -1.03 0.00 0.00 41.12 39.25 3g3u n ASP 406 CO 0.00 0.00 0.00 1.87 -0.11 0.00 0.00 177.20 178.96 3g3u n TRP 407 N 3.90 1.07 -0.35 2.11 -0.00 -1.26 -1.33 117.44 121.57 3g3u n TRP 407 Ca 0.74 0.61 0.06 0.00 -0.00 0.00 0.00 57.50 58.90 3g3u n TRP 407 Cb 0.24 -2.22 0.30 0.00 -0.00 0.00 0.00 31.31 29.64 3g3u n TRP 407 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 177.69 177.34 3g3u n PRO 408 N 0.38 3.75 -3.20 5.87 -0.04 -1.26 -4.97 135.00 135.52 3g3u n PRO 408 Ca 0.09 -2.36 -0.14 0.00 -0.04 0.00 0.00 63.50 61.05 3g3u n PRO 408 Cb 0.37 -2.00 0.07 0.00 -0.04 0.00 0.00 33.50 31.91 3g3u n PRO 408 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3g3u n PHE 409 N 0.58 -1.85 0.29 0.54 3.72 -0.44 -4.88 117.46 115.43 3g3u n PHE 409 Ca 0.21 0.78 0.19 0.00 -0.05 0.00 0.00 57.45 58.58 3g3u n PHE 409 Cb 0.90 -4.55 0.94 0.00 -0.94 0.00 0.00 39.48 35.84 3g3u n PHE 409 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 3g3u h LYS 410 N -1.61 0.00 0.00 -1.08 1.57 -1.94 -2.39 116.57 111.12 3g3u h LYS 410 Ca -0.49 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 3g3u h LYS 410 Cb 1.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.59 3g3u h LYS 410 CO 0.42 0.00 0.00 -0.56 -0.57 0.00 0.00 179.45 178.74 3g3u h GLN 411 N 0.00 0.00 -6.92 3.15 -0.00 -1.95 -3.45 115.11 105.93 3g3u h GLN 411 Ca 0.00 0.00 -0.50 0.00 -0.00 0.00 0.00 58.65 58.15 3g3u h GLN 411 Cb 0.10 0.00 0.04 0.00 -0.00 0.00 0.00 27.48 27.62 3g3u h GLN 411 CO 0.00 0.00 0.47 -0.51 -0.00 0.00 0.00 178.83 178.79 3g3u s LEU 412 N -4.96 4.24 0.48 0.06 1.43 -0.90 -5.01 118.68 114.02 3g3u s LEU 412 Ca 0.07 2.25 -0.24 0.00 -1.03 0.00 0.00 54.13 55.17 3g3u s LEU 412 Cb 0.10 -4.00 -0.07 0.00 0.03 0.00 0.00 46.19 42.24 3g3u s LEU 412 CO 0.53 -0.53 1.32 0.47 0.23 0.00 0.00 176.35 178.37 3g3u n ASP 413 N 0.23 2.69 -0.32 2.29 8.00 -1.26 -4.90 116.55 123.28 3g3u n ASP 413 Ca 0.04 1.05 0.13 0.00 0.71 0.00 0.00 54.79 56.72 3g3u n ASP 413 Cb 0.47 -1.55 0.31 0.00 -0.02 0.00 0.00 41.12 40.33 3g3u n ASP 413 CO 0.00 0.00 0.00 -0.78 -0.39 0.00 0.00 177.20 176.03 3g3u h ASP 414 N 1.83 0.49 0.60 -2.24 3.58 -1.95 -0.68 116.42 118.05 3g3u h ASP 414 Ca -0.50 0.13 0.00 0.00 0.42 0.00 0.00 57.03 57.09 3g3u h ASP 414 Cb 1.30 0.07 0.00 0.00 1.72 0.00 0.00 39.33 42.42 3g3u h ASP 414 CO 0.59 0.09 0.00 0.07 -2.88 0.00 0.00 179.24 177.10 3g3u h LYS 415 N 0.51 0.00 -0.01 0.28 2.10 -2.01 -2.82 116.57 114.63 3g3u h LYS 415 Ca 0.56 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.21 3g3u h LYS 415 Cb 1.01 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.34 3g3u h LYS 415 CO -0.47 0.00 -0.27 -0.25 -2.00 0.00 0.00 179.45 176.46 3g3u n ASP 416 N -3.01 1.12 -3.95 7.07 9.92 -0.26 -4.89 116.55 122.55 3g3u n ASP 416 Ca -0.01 -0.96 -0.13 0.00 -0.53 0.00 0.00 54.79 53.16 3g3u n ASP 416 Cb 0.21 0.16 -0.13 0.00 -0.64 0.00 0.00 41.12 40.71 3g3u n ASP 416 CO 0.00 0.00 0.00 -0.51 0.13 0.00 0.00 177.20 176.82 3g3u s ILE 417 N -2.49 0.28 -0.24 0.53 2.07 -1.06 -0.79 121.20 119.49 3g3u s ILE 417 Ca 0.24 -0.41 0.02 0.00 -1.41 0.00 0.00 60.65 59.10 3g3u s ILE 417 Cb 0.19 -0.29 0.05 0.00 0.13 0.00 0.00 42.46 42.55 3g3u s ILE 417 CO 0.52 -0.09 -0.11 0.00 -1.91 0.00 0.00 174.94 173.35 3g3u s ARG 419 N 1.20 3.11 0.22 0.00 0.52 -1.26 -1.15 118.95 121.59 3g3u s ARG 419 Ca -0.06 -1.43 -0.30 0.00 -0.52 0.00 0.00 55.73 53.41 3g3u s ARG 419 Cb -0.19 -4.32 -0.10 0.00 0.52 0.00 0.00 34.95 30.87 3g3u s ARG 419 CO -0.06 -1.54 1.44 0.12 0.02 0.00 0.00 175.30 175.28 3g3u s PHE 420 N 2.50 3.08 -0.21 -0.53 5.36 -0.66 -4.93 117.98 122.59 3g3u s PHE 420 Ca 0.13 0.97 0.17 0.00 -0.96 0.00 0.00 56.93 57.24 3g3u s PHE 420 Cb -0.22 -3.80 0.13 0.00 -0.34 0.00 0.00 43.02 38.79 3g3u s PHE 420 CO 0.04 -2.67 1.48 -1.35 -1.46 0.00 0.00 175.22 171.26 3g3u h PRO 421 N 5.54 0.00 -6.23 10.12 0.11 -1.96 -3.41 132.00 136.17 3g3u h PRO 421 Ca -0.45 0.00 -0.56 0.00 0.11 0.00 0.00 66.00 65.10 3g3u h PRO 421 Cb 1.21 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.25 3g3u h PRO 421 CO 0.81 0.40 -0.59 0.71 -0.21 0.00 0.00 178.00 179.12 3g3u s TYR 422 N -3.01 3.02 0.48 0.65 2.02 -1.26 -4.43 117.35 114.82 3g3u s TYR 422 Ca 0.05 -0.09 -0.19 0.00 -0.37 0.00 0.00 57.07 56.47 3g3u s TYR 422 Cb 0.07 -1.42 -0.09 0.00 -0.40 0.00 0.00 41.96 40.12 3g3u s TYR 422 CO 0.73 0.53 1.00 0.00 -1.57 0.00 0.00 175.55 176.23 3g3u s ALA 423 N -1.89 2.96 -0.19 3.71 0.00 -0.32 -4.69 121.76 121.33 3g3u s ALA 423 Ca 0.31 0.41 -0.03 0.00 0.00 0.00 0.00 51.96 52.64 3g3u s ALA 423 Cb -0.09 -3.18 -0.01 0.00 0.00 0.00 0.00 23.12 19.84 3g3u s ALA 423 CO 0.22 -0.19 -0.06 0.08 0.00 0.00 0.00 175.76 175.81 3g3u s VAL 424 N -2.26 3.34 -0.20 0.00 1.01 0.09 -1.01 120.40 121.38 3g3u s VAL 424 Ca 0.63 -0.52 -0.07 0.00 0.00 0.00 0.00 61.98 62.02 3g3u s VAL 424 Cb -0.12 -2.49 -0.04 0.00 0.00 0.00 0.00 36.38 33.73 3g3u s VAL 424 CO 0.22 0.45 0.05 -0.22 0.00 0.00 0.00 175.10 175.60 3g3u s LEU 425 N 1.13 3.64 -0.07 3.92 2.96 -0.49 -0.34 118.68 129.44 3g3u s LEU 425 Ca 0.01 -0.03 0.05 0.00 -0.22 0.00 0.00 54.13 53.95 3g3u s LEU 425 Cb -0.15 -1.93 -0.01 0.00 0.50 0.00 0.00 46.19 44.61 3g3u s LEU 425 CO -0.01 0.11 -0.24 -0.70 -1.32 0.00 0.00 176.35 174.19 3g3u s GLU 426 N 0.73 2.64 -0.22 1.98 2.12 -0.25 -0.69 118.70 125.01 3g3u s GLU 426 Ca 0.03 -0.88 -0.01 0.00 0.36 0.00 0.00 54.97 54.47 3g3u s GLU 426 Cb -0.13 -2.16 0.02 0.00 0.26 0.00 0.00 34.13 32.11 3g3u s GLU 426 CO 0.02 0.32 -0.12 0.08 -0.54 0.00 0.00 175.26 175.03 3g3u s VAL 427 N -0.02 2.59 -0.35 3.70 1.01 -0.21 -1.53 120.40 125.58 3g3u s VAL 427 Ca -0.08 -0.94 -0.06 0.00 0.00 0.00 0.00 61.98 60.91 3g3u s VAL 427 Cb -0.15 -2.22 0.05 0.00 0.00 0.00 0.00 36.38 34.07 3g3u s VAL 427 CO 0.05 0.36 0.12 -0.54 0.00 0.00 0.00 175.10 175.09 3g3u s LYS 428 N 1.32 2.54 -0.06 2.72 3.01 0.62 -1.93 119.74 127.96 3g3u s LYS 428 Ca 0.02 -1.29 -0.03 0.00 -1.01 0.00 0.00 55.97 53.66 3g3u s LYS 428 Cb -0.15 -3.48 -0.04 0.00 -1.01 0.00 0.00 37.83 33.15 3g3u s LYS 428 CO -0.08 -0.74 0.11 -0.51 0.51 0.00 0.00 175.35 174.65 3g3u s LEU 429 N 1.36 4.11 -0.60 3.17 1.43 0.23 -0.97 118.68 127.42 3g3u s LEU 429 Ca -0.01 0.30 0.05 0.00 -1.03 0.00 0.00 54.13 53.45 3g3u s LEU 429 Cb -0.20 -2.19 0.19 0.00 0.03 0.00 0.00 46.19 44.02 3g3u s LEU 429 CO 0.02 0.34 0.50 0.00 0.23 0.00 0.00 176.35 177.44 3g3u n GLN 430 N 1.59 1.46 -2.77 1.70 6.02 -0.33 -1.52 117.38 123.52 3g3u n GLN 430 Ca -0.16 -4.10 -0.41 0.00 -0.01 0.00 0.00 57.00 52.32 3g3u n GLN 430 Cb 0.54 -2.05 -0.04 0.00 1.02 0.00 0.00 30.24 29.72 3g3u n GLN 430 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 3g3u s THR 431 N -1.24 4.83 -0.13 5.09 2.01 -0.30 -4.44 115.64 121.46 3g3u s THR 431 Ca 0.30 1.95 -0.29 0.00 0.31 0.00 0.00 61.69 63.96 3g3u s THR 431 Cb 0.03 -4.27 -0.03 0.00 0.01 0.00 0.00 72.50 68.23 3g3u s THR 431 CO -0.15 0.21 1.46 0.00 -0.69 0.00 0.00 174.62 175.45 3g3u s GLN 432 N 0.77 4.16 0.28 4.92 0.00 -1.26 -1.88 119.66 126.64 3g3u s GLN 432 Ca 0.48 1.87 -0.30 0.00 -0.00 0.00 0.00 55.36 57.41 3g3u s GLN 432 Cb -0.21 -3.89 -0.12 0.00 0.00 0.00 0.00 33.01 28.79 3g3u s GLN 432 CO 0.27 -0.84 1.50 1.28 0.00 0.00 0.00 175.29 177.49 3g3u n LEU 433 N 7.05 3.82 -2.48 2.60 4.77 -1.26 -0.46 117.00 131.03 3g3u n LEU 433 Ca 0.16 1.15 -0.28 0.00 -0.03 0.00 0.00 56.01 57.01 3g3u n LEU 433 Cb 0.44 -1.52 0.01 0.00 -2.33 0.00 0.00 43.42 40.02 3g3u n LEU 433 CO 0.60 -0.15 0.35 0.61 -1.33 0.00 0.00 177.39 177.47 3g3u n GLY 434 N 2.02 5.99 1.82 -0.72 0.00 -1.26 -5.08 105.19 107.96 3g3u n GLY 434 Ca 0.09 -2.72 -0.14 0.00 0.00 0.00 0.00 46.02 43.25 3g3u n GLY 434 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3g3u n GLN 435 N -0.51 -0.89 -4.32 1.61 6.02 0.39 -5.11 117.38 114.56 3g3u n GLN 435 Ca 0.41 -0.96 -0.23 0.00 -0.01 0.00 0.00 57.00 56.21 3g3u n GLN 435 Cb 0.64 -0.68 -0.08 0.00 1.02 0.00 0.00 30.24 31.14 3g3u n GLN 435 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 177.06 174.22 3g3u s GLU 436 N -4.36 2.19 0.50 -1.09 4.04 -1.26 -4.86 118.70 113.86 3g3u s GLU 436 Ca 0.36 -1.47 -0.24 0.00 0.04 0.00 0.00 54.97 53.67 3g3u s GLU 436 Cb -0.01 -2.10 -0.07 0.00 0.02 0.00 0.00 34.13 31.97 3g3u s GLU 436 CO 0.26 0.36 1.39 -2.30 -1.84 0.00 0.00 175.26 173.13 3g3u n PRO 437 N -0.83 1.97 -1.36 -4.83 -0.02 -1.26 -4.90 135.00 123.77 3g3u n PRO 437 Ca -0.06 0.71 -0.44 0.00 -2.02 0.00 0.00 63.50 61.69 3g3u n PRO 437 Cb 0.59 -2.59 -0.01 0.00 -0.02 0.00 0.00 33.50 31.47 3g3u n PRO 437 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3g3u n PRO 438 N -0.57 0.13 0.14 0.52 -0.02 -1.26 -4.63 135.00 129.30 3g3u n PRO 438 Ca 0.08 0.05 0.04 0.00 -2.02 0.00 0.00 63.50 61.64 3g3u n PRO 438 Cb 0.43 -1.10 0.45 0.00 -0.02 0.00 0.00 33.50 33.25 3g3u n PRO 438 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 3g3u h GLU 439 N 0.64 0.22 -0.11 -0.52 9.09 -1.99 -1.71 114.58 120.19 3g3u h GLU 439 Ca -0.35 -0.04 -0.15 0.00 0.05 0.00 0.00 59.36 58.88 3g3u h GLU 439 Cb 1.43 -0.04 -0.01 0.00 -1.65 0.00 0.00 28.75 28.49 3g3u h GLU 439 CO 0.51 0.29 -0.56 0.11 0.05 0.00 0.00 179.01 179.41 3g3u h TRP 440 N 0.21 0.43 -0.00 2.06 5.08 -1.99 -0.08 115.95 121.66 3g3u h TRP 440 Ca 0.05 -0.15 -0.00 0.00 1.08 0.00 0.00 58.89 59.86 3g3u h TRP 440 Cb 0.25 -0.08 -0.00 0.00 -3.00 0.00 0.00 29.16 26.33 3g3u h TRP 440 CO 0.00 0.82 -0.00 0.28 -1.28 0.00 0.00 178.44 178.26 3g3u h VAL 441 N 0.26 1.28 -0.23 0.12 2.07 -1.73 -1.72 116.25 116.31 3g3u h VAL 441 Ca 0.00 -0.82 0.02 0.00 0.82 0.00 0.00 66.70 66.72 3g3u h VAL 441 Cb 1.06 1.83 -0.02 0.00 -1.52 0.00 0.00 31.29 32.64 3g3u h VAL 441 CO 0.09 0.21 0.09 0.03 0.02 0.00 0.00 177.57 178.02 3g3u h ARG 442 N -0.34 0.20 -0.53 1.57 3.08 -1.27 -1.66 114.38 115.44 3g3u h ARG 442 Ca 0.00 -0.01 0.07 0.00 0.07 0.00 0.00 59.98 60.11 3g3u h ARG 442 Cb 0.35 -0.05 -0.06 0.00 0.08 0.00 0.00 29.97 30.30 3g3u h ARG 442 CO 0.00 0.13 0.21 0.93 -1.07 0.00 0.00 179.97 180.17 3g3u h GLU 443 N 0.21 0.39 0.66 0.04 4.39 -1.02 -2.47 114.58 116.78 3g3u h GLU 443 Ca 0.10 -0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.74 3g3u h GLU 443 Cb 0.05 -0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 28.61 3g3u h GLU 443 CO -0.08 0.26 -0.39 1.25 -1.16 0.00 0.00 179.01 178.89 3g3u h LEU 444 N 0.40 -0.96 -1.96 1.33 5.85 -0.93 -2.42 115.31 116.63 3g3u h LEU 444 Ca 0.25 0.05 -0.00 0.00 0.84 0.00 0.00 57.88 59.02 3g3u h LEU 444 Cb 0.25 0.28 -0.00 0.00 0.37 0.00 0.00 40.66 41.56 3g3u h LEU 444 CO -0.24 -0.61 -0.00 -0.37 -0.34 0.00 0.00 178.44 176.88 3g3u h VAL 445 N -0.98 1.01 -0.02 1.05 -1.51 -1.19 -0.08 116.25 114.53 3g3u h VAL 445 Ca -0.08 -0.05 0.00 0.00 -1.23 0.00 0.00 66.70 65.34 3g3u h VAL 445 Cb 0.78 1.00 0.00 0.00 -2.13 0.00 0.00 31.29 30.95 3g3u h VAL 445 CO 0.10 0.02 0.00 0.61 -1.23 0.00 0.00 177.57 177.06 3g3u n GLY 446 N -1.50 -0.05 3.90 5.19 0.00 -0.94 -4.80 105.19 106.99 3g3u n GLY 446 Ca -0.03 -0.43 -0.28 0.00 0.00 0.00 0.00 46.02 45.29 3g3u n GLY 446 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3g3u s SER 447 N -1.97 5.87 0.00 1.61 1.04 -0.04 -4.94 113.70 115.26 3g3u s SER 447 Ca 0.38 0.93 0.05 0.00 0.48 0.00 0.00 55.95 57.79 3g3u s SER 447 Cb 0.21 -2.01 0.22 0.00 0.10 0.00 0.00 66.02 64.54 3g3u s SER 447 CO 0.33 -0.92 1.15 0.00 0.98 0.00 0.00 173.24 174.78 3g3u n HIS 448 N -2.56 0.00 0.07 5.02 1.44 -1.26 -3.01 115.22 114.92 3g3u n HIS 448 Ca 0.04 0.00 -0.02 0.00 -2.01 0.00 0.00 57.72 55.73 3g3u n HIS 448 Cb 0.56 -0.48 0.24 0.00 0.12 0.00 0.00 29.99 30.43 3g3u n HIS 448 CO 0.00 0.00 0.00 -0.07 -2.81 0.00 0.00 176.34 173.46 3g3u h LEU 449 N 0.00 0.32 -8.97 2.39 4.07 -1.92 -3.45 115.31 107.75 3g3u h LEU 449 Ca 0.00 -0.11 -0.59 0.00 0.08 0.00 0.00 57.88 57.25 3g3u h LEU 449 Cb 0.08 -0.09 -0.18 0.00 1.08 0.00 0.00 40.66 41.56 3g3u h LEU 449 CO 0.00 0.63 -0.80 0.68 -1.08 0.00 0.00 178.44 177.87 3g3u s VAL 450 N -4.34 2.14 -0.24 1.22 -7.23 -1.16 -4.51 120.40 106.28 3g3u s VAL 450 Ca -0.05 -2.02 0.03 0.00 -1.81 0.00 0.00 61.98 58.12 3g3u s VAL 450 Cb 0.14 -2.02 0.05 0.00 0.56 0.00 0.00 36.38 35.11 3g3u s VAL 450 CO 0.77 -0.23 -0.12 -0.70 -0.31 0.00 0.00 175.10 174.51 3g3u s GLU 451 N -2.81 2.33 0.26 4.82 2.12 0.13 -4.85 118.70 120.70 3g3u s GLU 451 Ca 0.20 -1.23 -0.31 0.00 0.36 0.00 0.00 54.97 53.99 3g3u s GLU 451 Cb -0.07 -2.81 -0.11 0.00 0.26 0.00 0.00 34.13 31.40 3g3u s GLU 451 CO 0.09 -0.51 1.61 -2.14 -0.54 0.00 0.00 175.26 173.77 3g3u s PRO 452 N 1.15 4.14 -0.44 4.30 0.02 -1.26 0.14 135.00 143.06 3g3u s PRO 452 Ca -0.06 2.54 0.04 0.00 0.02 0.00 0.00 61.00 63.54 3g3u s PRO 452 Cb -0.19 -3.05 0.17 0.00 0.02 0.00 0.00 34.50 31.45 3g3u s PRO 452 CO -0.06 -0.64 0.34 0.08 -0.33 0.00 0.00 177.00 176.39 3g3u s VAL 453 N 0.34 0.60 0.20 3.83 1.01 -0.29 -4.85 120.40 121.23 3g3u s VAL 453 Ca 0.66 -2.73 -0.19 0.00 0.00 0.00 0.00 61.98 59.71 3g3u s VAL 453 Cb -0.47 -1.42 0.16 0.00 0.00 0.00 0.00 36.38 34.65 3g3u s VAL 453 CO 0.43 -1.19 1.58 -0.65 0.00 0.00 0.00 175.10 175.27 3g3u h PRO 454 N 5.75 -0.11 -0.44 2.72 0.11 -1.94 -1.48 132.00 136.61 3g3u h PRO 454 Ca 0.23 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.35 3g3u h PRO 454 Cb 0.90 0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.04 3g3u h PRO 454 CO 0.40 -0.08 0.00 1.63 -0.21 0.00 0.00 178.00 179.74 3g3u n LYS 455 N -5.45 2.06 -1.61 1.05 5.02 -1.26 -4.53 118.16 113.44 3g3u n LYS 455 Ca 0.06 -1.64 -0.42 0.00 -2.02 0.00 0.00 58.31 54.29 3g3u n LYS 455 Cb 0.37 -1.37 0.01 0.00 -0.02 0.00 0.00 35.03 34.02 3g3u n LYS 455 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3g3u n PHE 456 N 0.83 1.26 -3.62 2.13 7.35 -0.56 -4.99 117.46 119.87 3g3u n PHE 456 Ca 0.16 0.58 -0.09 0.00 -0.76 0.00 0.00 57.45 57.33 3g3u n PHE 456 Cb 0.39 -2.24 -0.10 0.00 0.35 0.00 0.00 39.48 37.88 3g3u n PHE 456 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 3g3u s SER 457 N -0.68 -0.08 0.27 -2.13 0.15 -1.26 -5.04 113.70 104.93 3g3u s SER 457 Ca 0.62 0.82 -0.05 0.00 0.70 0.00 0.00 55.95 58.05 3g3u s SER 457 Cb -0.58 1.21 0.32 0.00 -1.71 0.00 0.00 66.02 65.26 3g3u s SER 457 CO 0.58 -0.24 1.94 0.11 1.20 0.00 0.00 173.24 176.83 3g3u h LYS 458 N 8.19 1.24 0.41 5.44 1.57 -1.98 0.19 116.57 131.64 3g3u h LYS 458 Ca -0.16 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 58.53 3g3u h LYS 458 Cb 1.11 -0.28 -0.01 0.00 0.08 0.00 0.00 32.23 33.14 3g3u h LYS 458 CO 0.14 0.82 -0.27 0.35 -0.57 0.00 0.00 179.45 179.92 3g3u h PHE 459 N 1.27 -0.72 -0.70 -1.35 3.57 -1.98 -0.33 116.94 116.70 3g3u h PHE 459 Ca 0.34 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.80 3g3u h PHE 459 Cb -0.14 0.26 -0.03 0.00 2.79 0.00 0.00 35.95 38.83 3g3u h PHE 459 CO 0.00 -0.42 0.27 0.82 -2.23 0.00 0.00 178.31 176.76 3g3u h ILE 460 N -0.67 1.25 -0.66 1.41 2.04 -1.86 -1.81 117.51 117.20 3g3u h ILE 460 Ca -0.04 -0.78 0.00 0.00 1.00 0.00 0.00 64.86 65.04 3g3u h ILE 460 Cb 0.56 0.45 -0.03 0.00 -0.74 0.00 0.00 36.82 37.06 3g3u h ILE 460 CO 0.03 0.31 0.43 -0.74 0.00 0.00 0.00 178.15 178.18 3g3u h HIS 461 N 1.00 0.84 -0.02 1.37 2.76 -0.50 -1.71 115.15 118.89 3g3u h HIS 461 Ca 0.23 0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 58.42 3g3u h HIS 461 Cb 0.22 -0.28 -0.00 0.00 1.55 0.00 0.00 27.41 28.89 3g3u h HIS 461 CO 0.02 0.54 0.01 0.78 -1.30 0.00 0.00 177.93 177.98 3g3u h GLY 462 N 0.90 0.03 1.00 5.26 0.00 -0.59 -1.03 103.07 108.63 3g3u h GLY 462 Ca 0.24 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.56 3g3u h GLY 462 CO -0.05 0.01 0.14 -2.08 0.00 0.00 0.00 176.54 174.56 3g3u h VAL 463 N -0.06 1.06 -0.43 4.60 2.07 -1.25 0.02 116.25 122.27 3g3u h VAL 463 Ca 0.01 -0.12 -0.10 0.00 0.82 0.00 0.00 66.70 67.31 3g3u h VAL 463 Cb 0.09 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 30.60 3g3u h VAL 463 CO -0.00 0.06 -0.15 0.00 0.02 0.00 0.00 177.57 177.49 3g3u h ALA 464 N 1.07 0.93 0.01 1.67 0.00 -1.23 0.13 119.26 121.84 3g3u h ALA 464 Ca 0.08 -0.34 -0.09 0.00 0.00 0.00 0.00 54.91 54.56 3g3u h ALA 464 Cb -0.03 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 17.61 3g3u h ALA 464 CO -0.02 0.62 -0.36 1.15 0.00 0.00 0.00 179.25 180.64 3g3u h THR 465 N 0.71 1.53 0.00 0.00 2.02 -1.13 -3.11 112.91 112.93 3g3u h THR 465 Ca 0.11 -2.04 -0.24 0.00 0.77 0.00 0.00 66.41 65.01 3g3u h THR 465 Cb 0.65 2.79 -0.04 0.00 -1.74 0.00 0.00 68.15 69.81 3g3u h THR 465 CO 0.05 0.57 -1.25 -0.07 0.37 0.00 0.00 175.52 175.18 3g3u h LEU 466 N -0.42 0.01 -4.17 2.58 3.38 -0.97 -3.31 115.31 112.40 3g3u h LEU 466 Ca -0.05 -0.01 -0.62 0.00 0.09 0.00 0.00 57.88 57.29 3g3u h LEU 466 Cb 1.13 -0.00 -0.38 0.00 0.09 0.00 0.00 40.66 41.50 3g3u h LEU 466 CO 0.07 1.01 -0.17 0.18 0.09 0.00 0.00 178.44 179.62 3g3u n LEU 467 N -3.25 5.84 -0.16 1.67 4.77 0.45 -4.84 117.00 121.48 3g3u n LEU 467 Ca -0.06 -4.78 -0.00 0.00 -0.03 0.00 0.00 56.01 51.14 3g3u n LEU 467 Cb 0.98 -0.61 0.25 0.00 -2.33 0.00 0.00 43.42 41.71 3g3u n LEU 467 CO 0.46 1.96 1.14 -0.55 -1.33 0.00 0.00 177.39 179.07 3g3u h ASN 468 N 2.35 0.79 1.06 -1.43 -1.07 -1.64 -0.45 115.58 115.20 3g3u h ASN 468 Ca 0.43 -0.06 0.00 0.00 0.07 0.00 0.00 56.30 56.74 3g3u h ASN 468 Cb 1.02 -0.20 0.00 0.00 -2.07 0.00 0.00 38.32 37.07 3g3u h ASN 468 CO 1.06 0.64 0.00 0.47 0.07 0.00 0.00 177.43 179.66 3g3u n ASP 469 N -4.38 0.52 -0.08 6.14 8.00 -1.26 -3.77 116.55 121.72 3g3u n ASP 469 Ca 0.06 0.58 -0.16 0.00 0.71 0.00 0.00 54.79 55.98 3g3u n ASP 469 Cb 0.10 -0.71 -0.14 0.00 -0.02 0.00 0.00 41.12 40.36 3g3u n ASP 469 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 3g3u n LYS 470 N -2.02 0.68 -2.65 -1.24 4.81 -0.25 -4.97 118.16 112.51 3g3u n LYS 470 Ca 0.05 0.15 -0.35 0.00 -0.87 0.00 0.00 58.31 57.28 3g3u n LYS 470 Cb 0.33 -1.59 -0.05 0.00 0.02 0.00 0.00 35.03 33.74 3g3u n LYS 470 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 3g3u s VAL 471 N -2.53 3.98 -1.64 3.15 -7.23 -0.74 -4.97 120.40 110.42 3g3u s VAL 471 Ca -0.23 1.41 0.16 0.00 -1.81 0.00 0.00 61.98 61.51 3g3u s VAL 471 Cb 0.08 -3.68 0.04 0.00 0.56 0.00 0.00 36.38 33.38 3g3u s VAL 471 CO 0.71 -0.09 0.90 0.47 -0.31 0.00 0.00 175.10 176.78 3g3u n ASP 472 N -0.26 1.84 -3.90 4.85 8.00 -1.26 -4.95 116.55 120.87 3g3u n ASP 472 Ca 0.06 -1.42 -0.10 0.00 0.71 0.00 0.00 54.79 54.03 3g3u n ASP 472 Cb 0.51 0.32 -0.10 0.00 -0.02 0.00 0.00 41.12 41.83 3g3u n ASP 472 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3g3u s SER 473 N -1.71 0.09 -0.01 -2.24 0.01 -1.26 -5.17 113.70 103.40 3g3u s SER 473 Ca 0.15 -0.31 0.02 0.00 1.31 0.00 0.00 55.95 57.12 3g3u s SER 473 Cb 0.13 0.19 0.00 0.00 0.21 0.00 0.00 66.02 66.55 3g3u s SER 473 CO 0.34 -0.38 -0.05 -0.63 0.41 0.00 0.00 173.24 172.92 3g3u s ILE 474 N -1.57 0.46 0.74 1.44 1.01 -1.26 -4.99 121.20 117.02 3g3u s ILE 474 Ca -0.14 -0.22 -0.15 0.00 0.00 0.00 0.00 60.65 60.15 3g3u s ILE 474 Cb -0.07 -0.41 0.04 0.00 0.01 0.00 0.00 42.46 42.03 3g3u s ILE 474 CO 0.00 0.14 1.21 -2.16 0.00 0.00 0.00 174.94 174.14 3g3u s PRO 475 N 0.05 2.07 0.00 2.79 0.04 -1.26 -4.89 135.00 133.79 3g3u s PRO 475 Ca -0.00 1.78 0.30 0.00 0.04 0.00 0.00 61.00 63.12 3g3u s PRO 475 Cb -0.04 -1.82 1.64 0.00 0.04 0.00 0.00 34.50 34.31 3g3u s PRO 475 CO -0.00 -1.89 2.08 1.19 0.04 0.00 0.00 177.00 178.42 3g3u n PHE 476 N -2.77 0.00 1.60 0.56 3.72 -1.26 -1.88 117.46 117.42 3g3u n PHE 476 Ca 0.14 0.00 0.15 0.00 -0.05 0.00 0.00 57.45 57.68 3g3u n PHE 476 Cb 0.50 -0.15 0.73 0.00 -0.94 0.00 0.00 39.48 39.62 3g3u n PHE 476 CO 0.00 0.00 0.00 -2.67 -0.05 0.00 0.00 176.76 174.04 3g3u n TRP 477 N -1.15 0.00 -4.39 1.38 2.14 -1.26 -4.84 117.44 109.31 3g3u n TRP 477 Ca 0.18 0.00 -0.26 0.00 2.07 0.00 0.00 57.50 59.49 3g3u n TRP 477 Cb 0.17 -0.13 -0.10 0.00 -0.81 0.00 0.00 31.31 30.44 3g3u n TRP 477 CO 0.00 0.00 0.00 -0.51 2.07 0.00 0.00 177.69 179.25 3g3u s LEU 478 N -2.31 2.67 -0.34 5.67 1.43 -0.79 -5.07 118.68 119.94 3g3u s LEU 478 Ca 0.35 -0.82 -0.39 0.00 -1.03 0.00 0.00 54.13 52.24 3g3u s LEU 478 Cb 0.21 -1.31 -0.15 0.00 0.03 0.00 0.00 46.19 44.97 3g3u s LEU 478 CO 0.43 0.09 1.96 -2.65 0.23 0.00 0.00 176.35 176.40 3g3u n PRO 479 N -0.12 0.94 -0.41 1.29 -0.02 -1.26 -4.83 135.00 130.59 3g3u n PRO 479 Ca -0.10 0.31 0.00 0.00 -2.02 0.00 0.00 63.50 61.69 3g3u n PRO 479 Cb 0.57 -2.13 0.00 0.00 -0.02 0.00 0.00 33.50 31.92 3g3u n PRO 479 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48