#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mtn n HIS 211 N 0.00 -1.42 -3.99 1.61 8.25 -1.26 -5.08 115.22 113.33 3mtn n HIS 211 Ca 0.00 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.35 3mtn n HIS 211 Cb 0.00 0.40 -0.12 0.00 1.12 0.00 0.00 29.99 31.39 3mtn n HIS 211 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3mtn s VAL 212 N -1.79 0.19 0.00 1.59 0.11 -1.26 -4.90 120.40 114.34 3mtn s VAL 212 Ca 0.00 -0.71 0.00 0.00 -2.93 0.00 0.00 61.98 58.34 3mtn s VAL 212 Cb 0.00 -0.28 0.00 0.00 -1.53 0.00 0.00 36.38 34.57 3mtn s VAL 212 CO 0.00 -0.33 0.00 0.61 -3.33 0.00 0.00 175.10 172.05 3mtn n GLY 213 N 1.97 1.91 3.05 6.54 0.00 -1.26 -4.91 105.19 112.49 3mtn n GLY 213 Ca -0.21 -2.10 -0.22 0.00 0.00 0.00 0.00 46.02 43.50 3mtn n GLY 213 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mtn s LEU 214 N 0.00 1.89 0.41 0.99 1.43 0.14 -0.47 118.68 123.07 3mtn s LEU 214 Ca 0.00 -0.23 -0.26 0.00 -1.03 0.00 0.00 54.13 52.61 3mtn s LEU 214 Cb 0.00 -0.66 -0.09 0.00 0.03 0.00 0.00 46.19 45.47 3mtn s LEU 214 CO 0.00 0.11 1.32 -0.13 0.23 0.00 0.00 176.35 177.89 3mtn s ARG 215 N 0.00 3.95 -0.23 1.70 1.81 0.11 -2.56 118.95 123.72 3mtn s ARG 215 Ca -0.01 2.20 -0.19 0.00 -1.72 0.00 0.00 55.73 56.01 3mtn s ARG 215 Cb -0.08 -2.76 -0.03 0.00 -0.45 0.00 0.00 34.95 31.64 3mtn s ARG 215 CO 0.00 -0.53 0.57 1.21 -0.68 0.00 0.00 175.30 175.88 3mtn s ASN 216 N -0.68 6.55 -0.00 0.23 3.04 -1.26 -4.78 114.94 118.04 3mtn s ASN 216 Ca 0.57 0.67 0.17 0.00 0.04 0.00 0.00 52.86 54.31 3mtn s ASN 216 Cb -0.39 -2.31 0.50 0.00 -1.54 0.00 0.00 41.25 37.51 3mtn s ASN 216 CO 0.50 -0.29 1.42 0.18 -3.04 0.00 0.00 177.10 175.87 3mtn n LEU 217 N 5.34 3.07 0.00 3.21 4.77 -1.26 -4.90 117.00 127.23 3mtn n LEU 217 Ca -0.03 -1.53 0.00 0.00 -0.03 0.00 0.00 56.01 54.42 3mtn n LEU 217 Cb 0.50 -0.38 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 3mtn n LEU 217 CO 0.42 0.75 0.00 0.61 -1.33 0.00 0.00 177.39 177.84 3mtn n GLY 218 N 1.38 0.92 2.31 -0.72 0.00 -1.26 -4.87 105.19 102.95 3mtn n GLY 218 Ca 0.19 -0.59 -0.15 0.00 0.00 0.00 0.00 46.02 45.47 3mtn n GLY 218 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3mtn n ASN 219 N 0.00 -4.53 -1.78 1.61 3.02 -1.26 -4.62 115.26 107.71 3mtn n ASN 219 Ca 0.00 0.07 0.02 0.00 -0.03 0.00 0.00 54.58 54.63 3mtn n ASN 219 Cb 0.00 -3.60 0.34 0.00 -0.61 0.00 0.00 39.78 35.91 3mtn n ASN 219 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3mtn n THR 220 N -3.71 2.78 0.05 3.41 -2.24 -1.26 -4.50 114.28 108.81 3mtn n THR 220 Ca -0.17 -1.62 -0.01 0.00 -2.27 0.00 0.00 64.05 59.99 3mtn n THR 220 Cb 0.60 -0.31 0.27 0.00 -2.10 0.00 0.00 70.33 68.80 3mtn n THR 220 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3mtn h PHE 222 N 0.36 0.81 0.45 0.00 -5.15 -1.85 0.94 116.94 112.50 3mtn h PHE 222 Ca 0.06 0.02 -0.02 0.00 -0.20 0.00 0.00 57.97 57.83 3mtn h PHE 222 Cb 0.53 -0.26 0.00 0.00 0.22 0.00 0.00 35.95 36.45 3mtn h PHE 222 CO 0.01 0.30 -0.22 1.25 -2.00 0.00 0.00 178.31 177.66 3mtn h LEU 223 N 0.69 -0.51 0.07 2.10 6.46 -1.60 -2.64 115.31 119.88 3mtn h LEU 223 Ca 0.44 -0.09 0.02 0.00 -0.12 0.00 0.00 57.88 58.14 3mtn h LEU 223 Cb 0.72 0.13 -0.04 0.00 -0.73 0.00 0.00 40.66 40.74 3mtn h LEU 223 CO -0.20 -0.11 -0.29 0.78 -0.62 0.00 0.00 178.44 177.99 3mtn h ASN 224 N -1.01 -0.85 -0.19 1.25 2.35 -0.83 0.06 115.58 116.36 3mtn h ASN 224 Ca -0.06 0.10 0.05 0.00 -0.55 0.00 0.00 56.30 55.84 3mtn h ASN 224 Cb 0.57 0.33 -0.07 0.00 0.05 0.00 0.00 38.32 39.20 3mtn h ASN 224 CO 0.10 -0.37 -0.38 0.00 -1.65 0.00 0.00 177.43 175.13 3mtn h ALA 225 N 0.25 -0.45 -0.02 -0.83 0.00 0.81 -0.57 119.26 118.45 3mtn h ALA 225 Ca 0.04 0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.00 3mtn h ALA 225 Cb 0.53 0.73 -0.03 0.00 0.00 0.00 0.00 17.79 19.02 3mtn h ALA 225 CO -0.20 -0.85 -0.12 0.28 0.00 0.00 0.00 179.25 178.35 3mtn h VAL 226 N -0.41 0.69 -0.88 0.00 2.07 -1.21 -2.34 116.25 114.17 3mtn h VAL 226 Ca 0.10 0.00 0.23 0.00 0.82 0.00 0.00 66.70 67.85 3mtn h VAL 226 Cb 0.59 0.69 -0.13 0.00 -1.52 0.00 0.00 31.29 30.92 3mtn h VAL 226 CO -0.42 0.00 0.32 -0.07 0.02 0.00 0.00 177.57 177.42 3mtn h LEU 227 N -0.20 0.17 -0.48 2.57 4.07 -0.10 -0.74 115.31 120.61 3mtn h LEU 227 Ca 0.05 0.17 -0.03 0.00 0.08 0.00 0.00 57.88 58.16 3mtn h LEU 227 Cb 0.26 0.20 -0.02 0.00 1.08 0.00 0.00 40.66 42.18 3mtn h LEU 227 CO -0.13 -0.08 0.20 1.56 -1.08 0.00 0.00 178.44 178.90 3mtn h GLN 228 N 0.30 0.71 -0.47 1.13 1.08 -0.60 0.32 115.11 117.58 3mtn h GLN 228 Ca 0.55 -0.12 0.00 0.00 -1.45 0.00 0.00 58.65 57.63 3mtn h GLN 228 Cb 1.09 -0.12 -0.02 0.00 -0.05 0.00 0.00 27.48 28.38 3mtn h GLN 228 CO -0.59 0.63 0.31 0.00 -0.95 0.00 0.00 178.83 178.23 3mtn h LEU 230 N 0.63 1.06 -1.19 0.00 3.38 -0.85 -2.24 115.31 116.10 3mtn h LEU 230 Ca 0.17 -0.14 0.06 0.00 0.09 0.00 0.00 57.88 58.06 3mtn h LEU 230 Cb -0.06 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 40.36 3mtn h LEU 230 CO -0.04 0.90 0.57 -1.28 0.09 0.00 0.00 178.44 178.68 3mtn h SER 231 N 1.14 0.87 -0.01 -0.43 0.87 0.09 -0.02 113.55 116.06 3mtn h SER 231 Ca 0.28 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.84 3mtn h SER 231 Cb 0.12 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 61.90 3mtn h SER 231 CO -0.03 0.57 0.00 -1.20 -0.53 0.00 0.00 176.83 175.63 3mtn n SER 232 N -4.48 0.07 -4.43 6.23 7.64 -0.21 -4.57 113.62 113.87 3mtn n SER 232 Ca 0.13 -1.38 -0.44 0.00 1.01 0.00 0.00 58.87 58.19 3mtn n SER 232 Cb 0.19 -0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.35 3mtn n SER 232 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 3mtn s THR 233 N -1.99 4.67 0.16 0.44 2.01 -0.02 -4.96 115.64 115.95 3mtn s THR 233 Ca 0.31 -1.17 -0.18 0.00 0.31 0.00 0.00 61.69 60.95 3mtn s THR 233 Cb 0.14 -4.69 0.09 0.00 0.01 0.00 0.00 72.50 68.05 3mtn s THR 233 CO 0.24 -1.41 1.65 0.03 -0.69 0.00 0.00 174.62 174.44 3mtn h ARG 234 N 9.06 -0.07 -0.46 4.92 3.08 -1.84 0.52 114.38 129.59 3mtn h ARG 234 Ca -0.05 0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.06 3mtn h ARG 234 Cb 1.05 0.02 -0.05 0.00 0.08 0.00 0.00 29.97 31.07 3mtn h ARG 234 CO 1.11 -0.05 0.19 -1.35 -1.07 0.00 0.00 179.97 178.80 3mtn h PRO 235 N -0.08 0.36 -0.48 0.04 0.11 -1.96 -2.10 132.00 127.90 3mtn h PRO 235 Ca 0.18 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 66.19 3mtn h PRO 235 Cb 0.36 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 31.37 3mtn h PRO 235 CO -0.42 0.24 -0.01 1.25 -0.21 0.00 0.00 178.00 178.84 3mtn h LEU 236 N 0.37 0.85 0.13 2.35 5.85 -1.53 -1.36 115.31 121.97 3mtn h LEU 236 Ca 0.21 -0.31 -0.01 0.00 0.84 0.00 0.00 57.88 58.61 3mtn h LEU 236 Cb 0.18 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 40.98 3mtn h LEU 236 CO -0.19 0.96 -0.06 -0.09 -0.34 0.00 0.00 178.44 178.71 3mtn h ARG 237 N 0.72 -0.17 -0.21 1.25 2.43 -0.87 -2.06 114.38 115.46 3mtn h ARG 237 Ca 0.13 0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.36 3mtn h ARG 237 Cb 0.53 0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 30.08 3mtn h ARG 237 CO 0.03 0.10 -0.04 -0.44 -1.51 0.00 0.00 179.97 178.10 3mtn h ASP 238 N -0.42 -0.18 -0.95 -3.80 5.19 -1.35 0.25 116.42 115.16 3mtn h ASP 238 Ca -0.02 0.06 0.27 0.00 -0.62 0.00 0.00 57.03 56.73 3mtn h ASP 238 Cb 0.34 0.12 -0.17 0.00 0.18 0.00 0.00 39.33 39.81 3mtn h ASP 238 CO 0.03 -0.06 0.15 0.15 -3.12 0.00 0.00 179.24 176.38 3mtn h PHE 239 N 0.01 0.17 0.05 4.55 3.57 -1.19 0.60 116.94 124.70 3mtn h PHE 239 Ca 0.10 0.06 -0.00 0.00 3.53 0.00 0.00 57.97 61.66 3mtn h PHE 239 Cb 0.15 0.08 0.00 0.00 2.79 0.00 0.00 35.95 38.97 3mtn h PHE 239 CO -0.22 -0.37 -0.02 0.00 -2.23 0.00 0.00 178.31 175.47 3mtn h LEU 241 N -0.95 0.20 -0.20 0.00 3.38 -0.71 0.39 115.31 117.42 3mtn h LEU 241 Ca -0.01 0.19 0.00 0.00 0.09 0.00 0.00 57.88 58.15 3mtn h LEU 241 Cb 0.57 0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.53 3mtn h LEU 241 CO 0.01 -0.12 0.00 0.54 0.09 0.00 0.00 178.44 178.96 3mtn n ARG 242 N -5.15 0.10 -3.88 1.13 1.74 0.19 -4.90 116.66 105.88 3mtn n ARG 242 Ca 0.24 0.24 -0.30 0.00 -0.77 0.00 0.00 57.85 57.27 3mtn n ARG 242 Cb 0.76 -1.66 0.03 0.00 -1.02 0.00 0.00 32.46 30.57 3mtn n ARG 242 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3mtn n ARG 243 N -1.84 -5.57 0.17 5.56 5.12 0.14 -4.88 116.66 115.37 3mtn n ARG 243 Ca 0.04 0.61 0.02 0.00 -1.93 0.00 0.00 57.85 56.58 3mtn n ARG 243 Cb 0.27 -5.51 0.31 0.00 -1.16 0.00 0.00 32.46 26.37 3mtn n ARG 243 CO 0.00 0.00 0.00 -0.44 -1.93 0.00 0.00 177.63 175.26 3mtn h ASP 244 N -2.08 0.00 -0.33 0.55 3.32 -1.69 -3.13 116.42 113.07 3mtn h ASP 244 Ca -0.58 -0.00 0.10 0.00 0.02 0.00 0.00 57.03 56.57 3mtn h ASP 244 Cb 1.37 -0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.91 3mtn h ASP 244 CO 0.67 0.43 0.35 2.19 -1.72 0.00 0.00 179.24 181.15 3mtn h PHE 245 N 0.00 0.00 -0.18 4.55 -5.15 -1.90 0.00 116.94 114.27 3mtn h PHE 245 Ca -0.00 0.00 -0.06 0.00 -0.20 0.00 0.00 57.97 57.70 3mtn h PHE 245 Cb 0.76 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 36.92 3mtn h PHE 245 CO 0.00 0.00 -0.17 0.00 -2.00 0.00 0.00 178.31 176.14 3mtn h ARG 246 N 0.00 0.30 0.00 6.09 3.08 -1.95 -3.20 114.38 118.70 3mtn h ARG 246 Ca 0.16 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 60.12 3mtn h ARG 246 Cb 0.85 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.86 3mtn h ARG 246 CO -0.00 0.48 -0.73 1.04 -1.07 0.00 0.00 179.97 179.68 3mtn n GLN 247 N -4.21 0.20 0.01 0.04 1.13 -0.02 -4.10 117.38 110.43 3mtn n GLN 247 Ca -0.00 0.03 -0.08 0.00 -1.94 0.00 0.00 57.00 55.00 3mtn n GLN 247 Cb 0.32 -1.60 0.08 0.00 0.11 0.00 0.00 30.24 29.14 3mtn n GLN 247 CO 0.00 0.00 0.00 0.93 -1.44 0.00 0.00 177.06 176.55 3mtn h GLU 248 N 0.00 0.52 -6.58 -1.09 4.39 -1.54 -3.45 114.58 106.83 3mtn h GLU 248 Ca 0.00 -0.31 -0.52 0.00 0.34 0.00 0.00 59.36 58.87 3mtn h GLU 248 Cb 0.67 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.33 3mtn h GLU 248 CO 0.00 0.91 0.38 0.08 -1.16 0.00 0.00 179.01 179.23 3mtn s VAL 249 N -4.02 4.39 1.21 3.13 1.01 -1.26 -4.57 120.40 120.30 3mtn s VAL 249 Ca -0.07 1.99 -0.20 0.00 0.00 0.00 0.00 61.98 63.70 3mtn s VAL 249 Cb 0.12 -4.27 0.31 0.00 0.00 0.00 0.00 36.38 32.53 3mtn s VAL 249 CO 0.83 0.31 0.81 -0.81 0.00 0.00 0.00 175.10 176.24 3mtn n PRO 250 N 2.74 -4.03 0.00 2.72 -0.04 -1.26 -5.00 135.00 130.13 3mtn n PRO 250 Ca 0.02 -1.33 0.00 0.00 -0.04 0.00 0.00 63.50 62.15 3mtn n PRO 250 Cb 0.49 -1.57 0.00 0.00 -0.04 0.00 0.00 33.50 32.37 3mtn n PRO 250 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3mtn n GLY 251 N -4.64 -3.35 4.23 0.55 0.00 -1.26 -4.11 105.19 96.61 3mtn n GLY 251 Ca 0.12 -1.25 0.00 0.00 0.00 0.00 0.00 46.02 44.89 3mtn n GLY 251 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mtn n GLY 252 N 0.47 1.21 1.06 -0.02 0.00 -1.26 -4.75 105.19 101.91 3mtn n GLY 252 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3mtn n GLY 252 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mtn n GLY 253 N -1.95 -4.17 3.57 -0.02 0.00 -1.26 -5.04 105.19 96.33 3mtn n GLY 253 Ca 0.00 -0.79 -0.26 0.00 0.00 0.00 0.00 46.02 44.97 3mtn n GLY 253 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3mtn s ARG 254 N -3.96 2.06 -0.30 1.61 3.52 -1.26 -5.09 118.95 115.52 3mtn s ARG 254 Ca 0.00 -1.30 -0.20 0.00 -0.13 0.00 0.00 55.73 54.10 3mtn s ARG 254 Cb 0.00 -2.14 -0.01 0.00 -1.56 0.00 0.00 34.95 31.24 3mtn s ARG 254 CO 0.00 0.43 0.64 0.00 -0.81 0.00 0.00 175.30 175.55 3mtn s ALA 255 N -1.78 3.54 -0.39 6.12 0.00 -1.26 -4.95 121.76 123.03 3mtn s ALA 255 Ca 0.25 -0.62 0.06 0.00 0.00 0.00 0.00 51.96 51.65 3mtn s ALA 255 Cb -0.08 -3.10 0.43 0.00 0.00 0.00 0.00 23.12 20.36 3mtn s ALA 255 CO 0.15 -1.06 1.13 1.04 0.00 0.00 0.00 175.76 177.03 3mtn n GLN 256 N 5.89 3.47 -0.28 0.00 6.02 -1.26 -4.86 117.38 126.36 3mtn n GLN 256 Ca -0.01 -4.40 -0.05 0.00 -0.01 0.00 0.00 57.00 52.53 3mtn n GLN 256 Cb 0.49 -2.25 -0.01 0.00 1.02 0.00 0.00 30.24 29.49 3mtn n GLN 256 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 3mtn h GLU 257 N 2.46 -0.11 -0.07 -1.09 5.08 -1.98 0.24 114.58 119.10 3mtn h GLU 257 Ca 0.32 0.01 -0.17 0.00 -1.00 0.00 0.00 59.36 58.52 3mtn h GLU 257 Cb 1.11 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.38 3mtn h GLU 257 CO 0.82 -0.08 -0.68 1.25 -1.00 0.00 0.00 179.01 179.32 3mtn h LEU 258 N -0.12 0.38 -0.27 1.33 5.85 -1.91 -2.57 115.31 117.99 3mtn h LEU 258 Ca 0.25 -0.24 -0.18 0.00 0.84 0.00 0.00 57.88 58.55 3mtn h LEU 258 Cb 0.56 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.48 3mtn h LEU 258 CO -0.81 0.95 -0.54 0.74 -0.34 0.00 0.00 178.44 178.44 3mtn h THR 259 N 0.23 1.28 0.27 1.05 2.02 -1.76 0.45 112.91 116.44 3mtn h THR 259 Ca -0.02 -1.72 -0.00 0.00 0.77 0.00 0.00 66.41 65.43 3mtn h THR 259 Cb 1.23 1.67 -0.01 0.00 -1.74 0.00 0.00 68.15 69.30 3mtn h THR 259 CO 0.11 0.56 -0.21 -0.33 0.37 0.00 0.00 175.52 176.02 3mtn h GLU 260 N 0.62 -0.47 -0.46 6.66 4.39 -0.95 -0.50 114.58 123.87 3mtn h GLU 260 Ca 0.01 0.03 0.05 0.00 0.34 0.00 0.00 59.36 59.79 3mtn h GLU 260 Cb 1.15 0.11 -0.04 0.00 -0.10 0.00 0.00 28.75 29.86 3mtn h GLU 260 CO 0.12 -0.31 0.20 0.00 -1.16 0.00 0.00 179.01 177.86 3mtn h ALA 261 N 0.20 0.57 -0.25 3.43 0.00 -1.33 0.70 119.26 122.58 3mtn h ALA 261 Ca -0.02 0.04 0.06 0.00 0.00 0.00 0.00 54.91 54.98 3mtn h ALA 261 Cb 0.42 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.14 3mtn h ALA 261 CO -0.01 -0.17 -0.10 0.35 0.00 0.00 0.00 179.25 179.32 3mtn h PHE 262 N 0.40 -0.25 0.00 0.00 3.57 0.15 -1.11 116.94 119.70 3mtn h PHE 262 Ca 0.21 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.69 3mtn h PHE 262 Cb 0.16 0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.04 3mtn h PHE 262 CO -0.13 -0.16 -0.19 0.00 -2.23 0.00 0.00 178.31 175.60 3mtn h ALA 263 N 1.16 1.37 -0.38 2.41 0.00 -0.75 -2.00 119.26 121.07 3mtn h ALA 263 Ca 0.13 -0.17 -0.16 0.00 0.00 0.00 0.00 54.91 54.71 3mtn h ALA 263 Cb 0.26 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3mtn h ALA 263 CO -0.30 0.24 -0.37 -0.44 0.00 0.00 0.00 179.25 178.38 3mtn h ASP 264 N 0.00 0.98 0.10 0.00 5.19 0.39 -0.75 116.42 122.32 3mtn h ASP 264 Ca -0.00 -0.44 -0.00 0.00 -0.62 0.00 0.00 57.03 55.96 3mtn h ASP 264 Cb 0.43 -0.27 0.00 0.00 0.18 0.00 0.00 39.33 39.66 3mtn h ASP 264 CO 0.02 1.23 -0.05 0.58 -3.12 0.00 0.00 179.24 177.91 3mtn h VAL 265 N 0.75 1.08 -1.03 -1.35 2.07 -1.14 -2.37 116.25 114.27 3mtn h VAL 265 Ca 0.06 -1.34 0.26 0.00 0.82 0.00 0.00 66.70 66.50 3mtn h VAL 265 Cb 0.96 1.85 -0.11 0.00 -1.52 0.00 0.00 31.29 32.48 3mtn h VAL 265 CO 0.09 0.29 0.64 0.40 0.02 0.00 0.00 177.57 179.02 3mtn h ILE 266 N -0.82 0.53 -0.26 4.57 1.08 -1.43 0.20 117.51 121.39 3mtn h ILE 266 Ca -0.01 -0.16 -0.00 0.00 -0.39 0.00 0.00 64.86 64.29 3mtn h ILE 266 Cb 0.58 0.01 -0.01 0.00 -3.07 0.00 0.00 36.82 34.33 3mtn h ILE 266 CO 0.02 0.09 0.14 1.23 -0.69 0.00 0.00 178.15 178.94 3mtn h GLY 267 N 0.48 0.38 2.00 5.37 0.00 -1.07 -2.71 103.07 107.52 3mtn h GLY 267 Ca 0.62 -0.17 -0.00 0.00 0.00 0.00 0.00 47.33 47.77 3mtn h GLY 267 CO -0.37 0.16 -0.00 0.00 0.00 0.00 0.00 176.54 176.33 3mtn h ALA 268 N 1.03 1.23 -0.01 3.60 0.00 -0.07 -1.89 119.26 123.14 3mtn h ALA 268 Ca 0.09 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3mtn h ALA 268 Cb 0.05 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3mtn h ALA 268 CO -0.02 0.01 -0.10 1.28 0.00 0.00 0.00 179.25 180.42 3mtn n LEU 269 N -3.42 1.52 -0.04 0.00 4.77 -0.83 -4.70 117.00 114.31 3mtn n LEU 269 Ca -0.03 -0.49 -0.02 0.00 -0.03 0.00 0.00 56.01 55.44 3mtn n LEU 269 Cb 0.09 -0.04 -0.01 0.00 -2.33 0.00 0.00 43.42 41.13 3mtn n LEU 269 CO 0.24 0.26 -0.17 -0.25 -1.33 0.00 0.00 177.39 176.14 3mtn h TRP 270 N 2.23 0.00 -2.16 -1.77 7.01 -1.33 -3.43 115.95 116.49 3mtn h TRP 270 Ca 0.00 0.00 -0.59 0.00 2.11 0.00 0.00 58.89 60.41 3mtn h TRP 270 Cb 0.56 0.00 -0.41 0.00 -2.10 0.00 0.00 29.16 27.21 3mtn h TRP 270 CO 0.00 0.00 -0.72 0.72 -2.79 0.00 0.00 178.44 175.65 3mtn n HIS 271 N -3.51 2.79 -2.69 2.65 8.25 -1.26 -5.00 115.22 116.45 3mtn n HIS 271 Ca -0.03 -4.01 -0.39 0.00 -0.26 0.00 0.00 57.72 53.03 3mtn n HIS 271 Cb 0.13 -0.50 -0.06 0.00 1.12 0.00 0.00 29.99 30.68 3mtn n HIS 271 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 3mtn s PRO 272 N -2.36 4.66 -0.08 -0.41 0.04 -1.26 -4.95 135.00 130.64 3mtn s PRO 272 Ca 0.40 1.49 0.14 0.00 0.04 0.00 0.00 61.00 63.07 3mtn s PRO 272 Cb 0.18 -3.02 -0.21 0.00 0.04 0.00 0.00 34.50 31.48 3mtn s PRO 272 CO -0.05 0.32 0.21 -0.40 0.04 0.00 0.00 177.00 177.12 3mtn n ASP 273 N 0.96 1.44 -4.96 6.66 5.75 -1.26 -4.97 116.55 120.16 3mtn n ASP 273 Ca 0.00 0.00 -0.22 0.00 -0.01 0.00 0.00 54.79 54.56 3mtn n ASP 273 Cb 0.48 1.33 0.01 0.00 -1.03 0.00 0.00 41.12 41.91 3mtn n ASP 273 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 3mtn s SER 274 N -4.24 5.76 0.00 -1.12 1.04 -1.26 -5.02 113.70 108.86 3mtn s SER 274 Ca -0.06 0.17 0.25 0.00 0.48 0.00 0.00 55.95 56.78 3mtn s SER 274 Cb 0.07 -1.37 0.50 0.00 0.10 0.00 0.00 66.02 65.32 3mtn s SER 274 CO 0.62 -0.74 1.41 0.00 0.98 0.00 0.00 173.24 175.51 3mtn n GLU 276 N -0.49 2.27 -1.74 0.00 -0.58 -1.26 -4.79 120.64 114.04 3mtn n GLU 276 Ca 0.11 0.83 -0.38 0.00 -0.42 0.00 0.00 57.16 57.30 3mtn n GLU 276 Cb 0.38 -2.66 0.06 0.00 -0.57 0.00 0.00 31.44 28.66 3mtn n GLU 276 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3mtn s ALA 277 N 2.77 2.54 0.35 0.62 0.00 -1.26 -4.79 121.76 121.99 3mtn s ALA 277 Ca 0.86 1.27 -0.24 0.00 0.00 0.00 0.00 51.96 53.86 3mtn s ALA 277 Cb -0.65 -3.57 -0.10 0.00 0.00 0.00 0.00 23.12 18.80 3mtn s ALA 277 CO 0.44 -1.54 0.93 0.08 0.00 0.00 0.00 175.76 175.67 3mtn s VAL 278 N -1.35 4.31 -0.37 0.00 1.01 0.38 -4.78 120.40 119.60 3mtn s VAL 278 Ca 0.79 1.66 -0.08 0.00 0.00 0.00 0.00 61.98 64.34 3mtn s VAL 278 Cb -0.39 -3.85 0.05 0.00 0.00 0.00 0.00 36.38 32.18 3mtn s VAL 278 CO 0.43 -0.02 0.18 0.21 0.00 0.00 0.00 175.10 175.90 3mtn s ASN 279 N -1.83 5.52 -0.16 3.32 3.84 -1.26 -0.71 114.94 123.65 3mtn s ASN 279 Ca 0.54 -1.21 0.08 0.00 0.21 0.00 0.00 52.86 52.47 3mtn s ASN 279 Cb -0.15 -1.94 0.49 0.00 -0.55 0.00 0.00 41.25 39.09 3mtn s ASN 279 CO 0.20 -0.40 1.31 -0.81 -2.79 0.00 0.00 177.10 174.60 3mtn n PRO 280 N 4.89 3.13 -0.29 0.43 -0.04 -1.26 -4.62 135.00 137.24 3mtn n PRO 280 Ca -0.11 -1.90 -0.01 0.00 -0.04 0.00 0.00 63.50 61.44 3mtn n PRO 280 Cb 0.44 -1.93 0.05 0.00 -0.04 0.00 0.00 33.50 32.03 3mtn n PRO 280 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 3mtn h THR 281 N 2.15 0.11 0.19 0.52 2.02 -1.95 0.38 112.91 116.33 3mtn h THR 281 Ca 0.06 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.24 3mtn h THR 281 Cb 1.52 0.11 -0.01 0.00 -1.74 0.00 0.00 68.15 68.03 3mtn h THR 281 CO 0.36 0.00 -0.17 -0.09 0.37 0.00 0.00 175.52 175.98 3mtn h ARG 282 N -0.05 -0.38 -0.51 6.66 9.65 -1.99 0.11 114.38 127.87 3mtn h ARG 282 Ca 0.33 0.03 0.06 0.00 -1.10 0.00 0.00 59.98 59.30 3mtn h ARG 282 Cb 0.59 0.09 -0.05 0.00 -1.39 0.00 0.00 29.97 29.20 3mtn h ARG 282 CO -0.84 -0.25 0.22 0.35 2.80 0.00 0.00 179.97 182.25 3mtn h PHE 283 N -0.39 0.39 -0.31 2.20 3.57 -1.51 0.21 116.94 121.10 3mtn h PHE 283 Ca -0.00 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.55 3mtn h PHE 283 Cb 0.36 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 38.97 3mtn h PHE 283 CO -0.13 0.16 0.13 -0.09 -2.23 0.00 0.00 178.31 176.14 3mtn h ARG 284 N 0.43 0.27 -0.13 1.11 2.43 -0.82 0.25 114.38 117.92 3mtn h ARG 284 Ca 0.24 -0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.41 3mtn h ARG 284 Cb 0.21 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.69 3mtn h ARG 284 CO -0.21 0.18 0.02 0.00 -1.51 0.00 0.00 179.97 178.45 3mtn h ALA 285 N 1.18 0.12 -0.57 2.80 0.00 0.61 -0.89 119.26 122.52 3mtn h ALA 285 Ca 0.13 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 3mtn h ALA 285 Cb 0.08 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 3mtn h ALA 285 CO -0.12 -0.43 0.27 0.28 0.00 0.00 0.00 179.25 179.26 3mtn h VAL 286 N 0.07 1.21 -0.45 0.00 2.07 -0.59 -2.36 116.25 116.20 3mtn h VAL 286 Ca 0.06 -0.58 0.07 0.00 0.82 0.00 0.00 66.70 67.06 3mtn h VAL 286 Cb 0.05 0.54 -0.06 0.00 -1.52 0.00 0.00 31.29 30.30 3mtn h VAL 286 CO -0.08 0.23 0.11 0.15 0.02 0.00 0.00 177.57 178.01 3mtn h PHE 287 N 0.77 0.19 0.00 1.57 3.57 -0.53 -2.48 116.94 120.03 3mtn h PHE 287 Ca 0.20 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.72 3mtn h PHE 287 Cb 0.12 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 38.84 3mtn h PHE 287 CO -0.00 0.04 -0.04 0.00 -2.23 0.00 0.00 178.31 176.08 3mtn n GLN 288 N -5.07 0.13 -0.22 1.11 10.64 -0.37 -1.09 117.38 122.50 3mtn n GLN 288 Ca 0.04 0.10 -0.06 0.00 -1.83 0.00 0.00 57.00 55.25 3mtn n GLN 288 Cb 0.20 -1.64 0.09 0.00 -0.86 0.00 0.00 30.24 28.03 3mtn n GLN 288 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.06 175.01 3mtn h LYS 289 N 0.00 1.05 0.00 2.61 3.64 -0.96 -3.01 116.57 119.91 3mtn h LYS 289 Ca 0.00 -0.24 0.00 0.00 -1.27 0.00 0.00 60.65 59.14 3mtn h LYS 289 Cb 0.62 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.29 3mtn h LYS 289 CO 0.00 0.93 -1.10 0.66 -2.27 0.00 0.00 179.45 177.67 3mtn n TYR 290 N -4.24 0.01 -3.31 1.91 4.01 -0.97 -4.58 117.16 110.00 3mtn n TYR 290 Ca 0.05 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.54 3mtn n TYR 290 Cb 0.25 -0.09 -0.08 0.00 -0.31 0.00 0.00 39.34 39.11 3mtn n TYR 290 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 3mtn n VAL 291 N -1.61 0.22 0.31 -0.72 0.31 -0.25 -4.99 118.33 111.59 3mtn n VAL 291 Ca 0.03 -4.33 0.19 0.00 -0.01 0.00 0.00 64.34 60.22 3mtn n VAL 291 Cb 0.36 -1.98 1.05 0.00 -0.91 0.00 0.00 33.84 32.37 3mtn n VAL 291 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 3mtn h PRO 292 N 4.26 0.00 0.00 5.55 0.11 -1.77 -1.80 132.00 138.35 3mtn h PRO 292 Ca 0.13 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.24 3mtn h PRO 292 Cb 0.82 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.93 3mtn h PRO 292 CO 0.57 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.23 3mtn n SER 293 N -3.40 0.00 -0.53 -2.05 3.41 -1.26 -1.54 113.62 108.25 3mtn n SER 293 Ca -0.02 -0.25 0.07 0.00 -0.26 0.00 0.00 58.87 58.40 3mtn n SER 293 Cb 0.12 -0.07 0.17 0.00 -0.26 0.00 0.00 64.21 64.17 3mtn n SER 293 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 3mtn n PHE 294 N -1.07 0.49 -2.18 7.33 3.01 -0.68 -5.02 117.46 119.34 3mtn n PHE 294 Ca 0.08 -0.73 -0.38 0.00 1.01 0.00 0.00 57.45 57.44 3mtn n PHE 294 Cb 0.05 -0.16 -0.00 0.00 -0.01 0.00 0.00 39.48 39.36 3mtn n PHE 294 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 3mtn s SER 295 N -1.67 6.12 0.00 4.37 1.04 -0.59 -4.87 113.70 118.11 3mtn s SER 295 Ca 0.28 2.41 0.00 0.00 0.48 0.00 0.00 55.95 59.12 3mtn s SER 295 Cb 0.21 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.72 3mtn s SER 295 CO 0.09 -0.96 0.00 0.61 0.98 0.00 0.00 173.24 173.96 3mtn n GLY 296 N 0.53 -3.13 1.90 7.32 0.00 -1.26 -4.75 105.19 105.81 3mtn n GLY 296 Ca 0.07 -2.10 -0.22 0.00 0.00 0.00 0.00 46.02 43.77 3mtn n GLY 296 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3mtn n TYR 297 N -0.01 2.51 -3.40 1.61 4.02 -1.26 -5.02 117.16 115.60 3mtn n TYR 297 Ca 0.00 -2.24 -0.31 0.00 -0.01 0.00 0.00 57.90 55.34 3mtn n TYR 297 Cb 0.00 -0.48 -0.05 0.00 -0.02 0.00 0.00 39.34 38.79 3mtn n TYR 297 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 3mtn s SER 298 N -3.29 6.57 0.69 7.72 1.04 -1.26 -4.61 113.70 120.56 3mtn s SER 298 Ca 0.51 0.86 -0.16 0.00 0.48 0.00 0.00 55.95 57.64 3mtn s SER 298 Cb 0.42 -2.20 0.01 0.00 0.10 0.00 0.00 66.02 64.35 3mtn s SER 298 CO 0.02 -0.10 1.23 -1.10 0.98 0.00 0.00 173.24 174.27 3mtn s GLN 299 N -2.99 2.38 -0.04 4.02 -0.21 -1.26 -4.92 119.66 116.64 3mtn s GLN 299 Ca 0.46 1.84 -0.16 0.00 0.02 0.00 0.00 55.36 57.52 3mtn s GLN 299 Cb -0.11 -1.85 0.03 0.00 1.00 0.00 0.00 33.01 32.08 3mtn s GLN 299 CO 0.24 -1.67 0.36 -1.14 -2.12 0.00 0.00 175.29 170.96 3mtn s GLN 300 N -3.69 0.68 0.17 2.91 2.00 -1.26 -5.10 119.66 115.37 3mtn s GLN 300 Ca 0.77 -0.05 -0.30 0.00 -2.00 0.00 0.00 55.36 53.78 3mtn s GLN 300 Cb -0.31 0.31 -0.07 0.00 0.80 0.00 0.00 33.01 33.73 3mtn s GLN 300 CO 0.42 -0.18 1.03 0.34 -0.50 0.00 0.00 175.29 176.40 3mtn s ASP 301 N -1.11 7.39 0.11 6.67 -1.08 -1.26 -4.75 116.67 122.65 3mtn s ASP 301 Ca -0.12 1.99 -0.11 0.00 -0.52 0.00 0.00 52.55 53.79 3mtn s ASP 301 Cb -0.04 -2.60 -0.13 0.00 -1.46 0.00 0.00 42.92 38.68 3mtn s ASP 301 CO 0.04 -0.11 1.31 0.00 0.52 0.00 0.00 175.17 176.93 3mtn h ALA 302 N 5.04 0.33 0.00 3.66 0.00 -1.99 -1.94 119.26 124.37 3mtn h ALA 302 Ca -0.44 -0.61 -0.10 0.00 0.00 0.00 0.00 54.91 53.75 3mtn h ALA 302 Cb 1.21 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 3mtn h ALA 302 CO 0.71 0.70 -0.50 -0.56 0.00 0.00 0.00 179.25 179.60 3mtn h GLN 303 N 0.50 0.00 0.02 0.00 -0.00 -1.94 0.10 115.11 113.79 3mtn h GLN 303 Ca -0.06 0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 58.59 3mtn h GLN 303 Cb 1.42 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.90 3mtn h GLN 303 CO 0.16 0.50 -0.01 1.49 -0.00 0.00 0.00 178.83 180.96 3mtn h GLU 304 N 0.00 -0.03 -0.97 0.06 4.81 -1.96 -1.10 114.58 115.39 3mtn h GLU 304 Ca -0.00 0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.26 3mtn h GLU 304 Cb 1.16 0.01 -0.05 0.00 0.63 0.00 0.00 28.75 30.50 3mtn h GLU 304 CO 0.06 0.12 0.64 0.35 -0.73 0.00 0.00 179.01 179.46 3mtn h PHE 305 N -0.18 1.19 -0.03 0.92 3.57 -0.99 -0.94 116.94 120.48 3mtn h PHE 305 Ca -0.00 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.52 3mtn h PHE 305 Cb 0.17 -0.40 -0.00 0.00 2.79 0.00 0.00 35.95 38.51 3mtn h PHE 305 CO -0.03 0.70 0.01 1.25 -2.23 0.00 0.00 178.31 178.02 3mtn h LEU 306 N 1.24 0.04 -0.85 0.59 5.85 -0.71 -1.07 115.31 120.40 3mtn h LEU 306 Ca 0.38 -0.16 -0.05 0.00 0.84 0.00 0.00 57.88 58.89 3mtn h LEU 306 Cb -0.02 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 40.97 3mtn h LEU 306 CO -0.11 0.19 0.21 0.50 -0.34 0.00 0.00 178.44 178.89 3mtn h LYS 307 N -0.10 1.06 0.00 1.25 3.64 -0.55 0.88 116.57 122.75 3mtn h LYS 307 Ca 0.01 -0.22 -0.09 0.00 -1.27 0.00 0.00 60.65 59.08 3mtn h LYS 307 Cb 0.16 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 3mtn h LYS 307 CO -0.00 0.91 -0.42 -0.07 -2.27 0.00 0.00 179.45 177.60 3mtn h LEU 308 N 1.02 0.00 0.02 5.20 4.07 -1.14 -2.08 115.31 122.40 3mtn h LEU 308 Ca 0.22 0.00 -0.04 0.00 0.08 0.00 0.00 57.88 58.14 3mtn h LEU 308 Cb 0.29 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.03 3mtn h LEU 308 CO -0.01 0.42 -0.17 0.25 -1.08 0.00 0.00 178.44 177.85 3mtn h LEU 309 N 0.00 0.12 -1.00 1.67 5.85 -0.14 -2.73 115.31 119.09 3mtn h LEU 309 Ca -0.00 -0.90 0.15 0.00 0.84 0.00 0.00 57.88 57.97 3mtn h LEU 309 Cb 0.96 -0.04 -0.10 0.00 0.37 0.00 0.00 40.66 41.86 3mtn h LEU 309 CO 0.05 1.01 0.61 0.24 -0.34 0.00 0.00 178.44 180.02 3mtn h MET 310 N -0.75 0.85 -0.44 1.25 2.86 -0.88 -0.47 114.93 117.34 3mtn h MET 310 Ca -0.03 -0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 57.54 3mtn h MET 310 Cb 1.05 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 32.50 3mtn h MET 310 CO 0.03 0.56 0.19 1.49 1.06 0.00 0.00 176.91 180.24 3mtn h GLU 311 N 0.87 0.65 -0.17 1.72 4.81 -1.38 -1.27 114.58 119.82 3mtn h GLU 311 Ca 0.54 -0.11 -0.17 0.00 -0.13 0.00 0.00 59.36 59.48 3mtn h GLU 311 Cb 0.69 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.96 3mtn h GLU 311 CO -0.33 0.59 -0.60 -0.09 -0.73 0.00 0.00 179.01 177.86 3mtn h ARG 312 N 0.57 0.55 -0.33 1.92 1.12 -1.09 -2.60 114.38 114.52 3mtn h ARG 312 Ca 0.15 -0.37 0.01 0.00 -1.11 0.00 0.00 59.98 58.66 3mtn h ARG 312 Cb 0.17 0.05 -0.02 0.00 -0.01 0.00 0.00 29.97 30.16 3mtn h ARG 312 CO -0.01 0.98 0.20 -0.07 -3.11 0.00 0.00 179.97 177.96 3mtn h LEU 313 N 0.41 0.34 0.07 3.80 4.07 -0.96 -2.63 115.31 120.42 3mtn h LEU 313 Ca -0.00 -0.00 0.02 0.00 0.08 0.00 0.00 57.88 57.97 3mtn h LEU 313 Cb 1.15 -0.07 -0.02 0.00 1.08 0.00 0.00 40.66 42.79 3mtn h LEU 313 CO 0.11 0.25 -0.17 -0.74 -1.08 0.00 0.00 178.44 176.81 3mtn h HIS 314 N 0.42 -0.43 -0.83 1.13 2.76 -1.17 -1.55 115.15 115.47 3mtn h HIS 314 Ca 0.13 0.01 0.21 0.00 -2.20 0.00 0.00 60.37 58.51 3mtn h HIS 314 Cb -0.02 0.18 -0.13 0.00 1.55 0.00 0.00 27.41 28.99 3mtn h HIS 314 CO -0.07 -0.25 0.17 1.25 -1.30 0.00 0.00 177.93 177.74 3mtn h LEU 315 N -0.31 -0.08 -0.36 0.26 5.85 -1.31 0.19 115.31 119.54 3mtn h LEU 315 Ca 0.03 0.19 -0.08 0.00 0.84 0.00 0.00 57.88 58.86 3mtn h LEU 315 Cb 0.34 0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.63 3mtn h LEU 315 CO -0.11 -0.14 -0.36 -0.33 -0.34 0.00 0.00 178.44 177.17 3mtn h GLU 316 N 0.20 0.00 0.00 1.25 5.08 -1.00 -3.33 114.58 116.78 3mtn h GLU 316 Ca 0.50 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.86 3mtn h GLU 316 Cb 0.95 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.20 3mtn h GLU 316 CO -0.63 0.36 -0.00 0.44 -1.00 0.00 0.00 179.01 178.17 3mtn n ILE 317 N -3.27 1.15 -1.71 3.13 -5.35 -0.36 -4.85 119.36 108.10 3mtn n ILE 317 Ca 0.02 -1.22 -0.42 0.00 -0.27 0.00 0.00 62.75 60.85 3mtn n ILE 317 Cb 0.61 0.37 -0.03 0.00 -1.74 0.00 0.00 39.64 38.85 3mtn n ILE 317 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 3mtn s ASN 318 N -1.35 6.45 0.35 7.28 3.84 0.51 -4.57 114.94 127.45 3mtn s ASN 318 Ca 0.06 2.70 0.14 0.00 0.21 0.00 0.00 52.86 55.97 3mtn s ASN 318 Cb 0.05 -2.55 0.62 0.00 -0.55 0.00 0.00 41.25 38.83 3mtn s ASN 318 CO 0.01 -1.02 1.74 0.03 -2.79 0.00 0.00 177.10 175.06 3mtn h ARG 319 N 9.57 0.00 0.00 0.43 3.08 0.10 -3.44 114.38 124.13 3mtn h ARG 319 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.58 3mtn h ARG 319 Cb 1.23 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.28 3mtn h ARG 319 CO 0.94 0.45 0.00 0.54 -1.07 0.00 0.00 179.97 180.83 3mtn n ARG 320 N -3.82 0.00 0.00 0.04 1.74 -1.26 -4.57 116.66 108.80 3mtn n ARG 320 Ca -0.01 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.07 3mtn n ARG 320 Cb 0.50 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.94 3mtn n ARG 320 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 3mtn n LEU 349 N 0.00 0.00 -4.56 0.55 7.94 -1.26 -5.02 117.00 114.65 3mtn n LEU 349 Ca 0.00 0.00 -0.31 0.00 -1.11 0.00 0.00 56.01 54.59 3mtn n LEU 349 Cb 0.00 0.00 0.18 0.00 0.53 0.00 0.00 43.42 44.13 3mtn n LEU 349 CO 0.00 0.00 0.45 -0.24 -1.11 0.00 0.00 177.39 176.49 3mtn n SER 350 N 0.00 -0.68 0.09 1.96 2.88 -1.26 -4.78 113.62 111.83 3mtn n SER 350 Ca 0.00 0.23 -0.13 0.00 -1.33 0.00 0.00 58.87 57.64 3mtn n SER 350 Cb 0.00 -1.36 -0.08 0.00 -0.75 0.00 0.00 64.21 62.02 3mtn n SER 350 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 3mtn h ASP 351 N -2.06 -0.21 0.92 -3.46 5.19 -2.02 -1.60 116.42 113.19 3mtn h ASP 351 Ca -0.48 -0.24 -0.01 0.00 -0.62 0.00 0.00 57.03 55.68 3mtn h ASP 351 Cb 1.29 0.05 -0.00 0.00 0.18 0.00 0.00 39.33 40.85 3mtn h ASP 351 CO 0.42 0.15 -0.04 0.44 -3.12 0.00 0.00 179.24 177.09 3mtn h ASP 352 N -0.59 0.00 0.09 6.45 3.32 -1.98 -0.09 116.42 123.62 3mtn h ASP 352 Ca -0.03 0.00 -0.27 0.00 0.02 0.00 0.00 57.03 56.76 3mtn h ASP 352 Cb 0.44 0.00 0.03 0.00 0.22 0.00 0.00 39.33 40.01 3mtn h ASP 352 CO 0.04 0.04 -1.10 0.44 -1.72 0.00 0.00 179.24 176.94 3mtn h ASP 353 N 0.00 0.82 0.14 6.45 3.45 -1.92 -2.15 116.42 123.21 3mtn h ASP 353 Ca -0.00 -0.81 -0.05 0.00 0.43 0.00 0.00 57.03 56.60 3mtn h ASP 353 Cb 0.51 -0.26 -0.01 0.00 -0.56 0.00 0.00 39.33 39.01 3mtn h ASP 353 CO 0.01 1.54 -0.20 0.03 -1.57 0.00 0.00 179.24 179.05 3mtn h ARG 354 N 0.20 0.11 0.23 3.56 3.08 -1.00 -2.06 114.38 118.49 3mtn h ARG 354 Ca -0.16 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 59.85 3mtn h ARG 354 Cb 1.79 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.83 3mtn h ARG 354 CO 0.21 0.30 -0.11 0.00 -1.07 0.00 0.00 179.97 179.31 3mtn h ALA 355 N 1.71 -0.30 -0.18 0.04 0.00 -0.96 -2.49 119.26 117.06 3mtn h ALA 355 Ca 0.02 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.69 3mtn h ALA 355 Cb 0.41 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 3mtn h ALA 355 CO 0.03 -0.49 -0.12 -0.91 0.00 0.00 0.00 179.25 177.76 3mtn h ASN 356 N -0.66 0.27 -0.18 0.00 2.35 -1.39 -2.03 115.58 113.96 3mtn h ASN 356 Ca -0.03 -0.06 -0.04 0.00 -0.55 0.00 0.00 56.30 55.62 3mtn h ASN 356 Cb 0.47 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.76 3mtn h ASN 356 CO 0.05 0.43 -0.06 0.25 -1.65 0.00 0.00 177.43 176.44 3mtn h LEU 357 N 0.28 0.36 -1.28 1.61 7.12 -1.37 -0.61 115.31 121.42 3mtn h LEU 357 Ca 0.06 -0.39 -0.07 0.00 0.13 0.00 0.00 57.88 57.60 3mtn h LEU 357 Cb 0.38 -0.10 -0.01 0.00 -0.53 0.00 0.00 40.66 40.40 3mtn h LEU 357 CO 0.02 0.67 -0.31 0.24 -0.13 0.00 0.00 178.44 178.93 3mtn h MET 358 N 0.05 0.09 -0.39 1.25 2.86 -1.38 -2.17 114.93 115.24 3mtn h MET 358 Ca 0.04 -0.03 -0.11 0.00 -2.06 0.00 0.00 59.70 57.55 3mtn h MET 358 Cb 0.52 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.16 3mtn h MET 358 CO 0.02 0.39 -0.17 2.35 1.06 0.00 0.00 176.91 180.56 3mtn h TRP 359 N 0.08 0.93 0.00 -0.22 2.91 -1.07 0.18 115.95 118.75 3mtn h TRP 359 Ca 0.01 -0.23 -0.14 0.00 1.13 0.00 0.00 58.89 59.66 3mtn h TRP 359 Cb 0.59 -0.22 -0.02 0.00 -0.51 0.00 0.00 29.16 29.00 3mtn h TRP 359 CO 0.00 0.97 -0.68 0.87 -1.03 0.00 0.00 178.44 178.58 3mtn h LYS 360 N 0.61 0.00 -0.13 2.65 1.57 -1.03 -1.08 116.57 119.16 3mtn h LYS 360 Ca 0.09 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.74 3mtn h LYS 360 Cb 0.72 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.02 3mtn h LYS 360 CO 0.05 0.68 -0.49 0.00 -0.57 0.00 0.00 179.45 179.12 3mtn h ARG 361 N 0.00 0.33 -0.34 3.15 3.08 -1.33 -2.27 114.38 117.00 3mtn h ARG 361 Ca -0.01 -0.19 -0.08 0.00 0.07 0.00 0.00 59.98 59.78 3mtn h ARG 361 Cb 1.46 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.51 3mtn h ARG 361 CO 0.09 0.75 -0.09 -0.92 -1.07 0.00 0.00 179.97 178.73 3mtn h TYR 362 N 0.27 0.75 0.00 3.04 3.20 -0.31 -3.04 116.97 120.88 3mtn h TYR 362 Ca 0.01 -0.16 0.00 0.00 3.14 0.00 0.00 58.73 61.72 3mtn h TYR 362 Cb 0.96 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 39.05 3mtn h TYR 362 CO 0.02 0.83 0.00 -0.07 -1.64 0.00 0.00 178.16 177.31 3mtn h LEU 363 N 0.45 0.00 -1.39 2.82 3.38 -1.16 -1.38 115.31 118.03 3mtn h LEU 363 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3mtn h LEU 363 Cb 0.59 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.34 3mtn h LEU 363 CO 0.03 0.00 0.00 -0.33 0.09 0.00 0.00 178.44 178.23 3mtn h GLU 364 N 0.00 0.00 0.00 1.13 5.08 -1.28 -3.28 114.58 116.23 3mtn h GLU 364 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3mtn h GLU 364 Cb 0.39 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.64 3mtn h GLU 364 CO 0.00 0.00 -0.78 0.54 -1.00 0.00 0.00 179.01 177.77 3mtn n ARG 365 N -2.55 2.25 -3.80 2.33 1.74 -0.98 -4.95 116.66 110.70 3mtn n ARG 365 Ca 0.00 0.00 -0.26 0.00 -0.77 0.00 0.00 57.85 56.82 3mtn n ARG 365 Cb 0.17 -0.89 -0.17 0.00 -1.02 0.00 0.00 32.46 30.55 3mtn n ARG 365 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 3mtn s GLU 366 N -1.67 0.88 -0.29 5.56 0.41 -0.56 -4.80 118.70 118.23 3mtn s GLU 366 Ca 0.00 -0.21 0.04 0.00 -0.41 0.00 0.00 54.97 54.39 3mtn s GLU 366 Cb 0.00 -1.58 0.19 0.00 -1.78 0.00 0.00 34.13 30.96 3mtn s GLU 366 CO 0.00 -0.42 0.53 0.34 -0.49 0.00 0.00 175.26 175.21 3mtn s ASP 367 N 1.85 -0.91 0.31 -0.19 2.15 -1.26 -4.00 116.67 114.61 3mtn s ASP 367 Ca 0.02 0.03 -0.06 0.00 0.43 0.00 0.00 52.55 52.97 3mtn s ASP 367 Cb -0.14 1.71 0.00 0.00 -0.30 0.00 0.00 42.92 44.19 3mtn s ASP 367 CO -0.07 -0.32 0.47 -0.94 -0.17 0.00 0.00 175.17 174.15 3mtn s SER 368 N 2.73 0.50 0.46 -0.34 1.04 -1.26 0.14 113.70 116.98 3mtn s SER 368 Ca 0.10 -1.29 0.18 0.00 0.48 0.00 0.00 55.95 55.42 3mtn s SER 368 Cb -0.11 0.63 1.11 0.00 0.10 0.00 0.00 66.02 67.75 3mtn s SER 368 CO -0.27 -1.25 2.01 0.50 0.98 0.00 0.00 173.24 175.22 3mtn h LYS 369 N 2.18 0.00 -0.57 4.02 1.63 -1.98 -0.90 116.57 120.95 3mtn h LYS 369 Ca -0.28 0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 59.48 3mtn h LYS 369 Cb 1.24 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 32.85 3mtn h LYS 369 CO 0.39 0.17 0.23 0.82 -3.45 0.00 0.00 179.45 177.61 3mtn h ILE 370 N 0.00 1.22 -0.48 2.00 5.03 -1.95 -2.16 117.51 121.17 3mtn h ILE 370 Ca -0.00 -0.69 -0.12 0.00 -0.12 0.00 0.00 64.86 63.93 3mtn h ILE 370 Cb 0.33 0.61 -0.01 0.00 -3.03 0.00 0.00 36.82 34.71 3mtn h ILE 370 CO 0.02 0.27 -0.17 0.58 -0.68 0.00 0.00 178.15 178.17 3mtn h VAL 371 N 0.78 1.27 -0.52 1.67 2.07 -1.74 -0.98 116.25 118.80 3mtn h VAL 371 Ca 0.19 -1.32 0.13 0.00 0.82 0.00 0.00 66.70 66.52 3mtn h VAL 371 Cb 0.20 1.11 -0.03 0.00 -1.52 0.00 0.00 31.29 31.05 3mtn h VAL 371 CO -0.02 0.46 0.36 0.44 0.02 0.00 0.00 177.57 178.83 3mtn h ASP 372 N 0.82 0.13 0.00 0.57 3.32 -1.08 -2.92 116.42 117.26 3mtn h ASP 372 Ca 0.12 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 57.06 3mtn h ASP 372 Cb 0.73 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 40.25 3mtn h ASP 372 CO 0.06 0.07 -1.16 0.18 -1.72 0.00 0.00 179.24 176.67 3mtn n LEU 373 N -4.43 1.89 -0.57 1.55 4.32 -0.82 -4.30 117.00 114.64 3mtn n LEU 373 Ca 0.09 0.44 0.09 0.00 -0.02 0.00 0.00 56.01 56.61 3mtn n LEU 373 Cb 0.50 -0.83 0.04 0.00 -1.62 0.00 0.00 43.42 41.51 3mtn n LEU 373 CO 0.35 -0.11 0.42 0.49 -1.22 0.00 0.00 177.39 177.32 3mtn n PHE 374 N -4.47 0.00 -3.47 -1.77 3.72 -0.41 -0.01 117.46 111.05 3mtn n PHE 374 Ca -0.22 0.00 -0.39 0.00 -0.05 0.00 0.00 57.45 56.79 3mtn n PHE 374 Cb 0.53 0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 38.97 3mtn n PHE 374 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 3mtn s VAL 375 N -1.71 5.23 0.00 -4.37 1.01 -1.10 -4.07 120.40 115.39 3mtn s VAL 375 Ca 0.18 0.20 0.00 0.00 0.00 0.00 0.00 61.98 62.35 3mtn s VAL 375 Cb 0.14 -3.68 0.00 0.00 0.00 0.00 0.00 36.38 32.84 3mtn s VAL 375 CO 0.31 0.10 0.00 0.61 0.00 0.00 0.00 175.10 176.12 3mtn n GLY 376 N 4.93 3.78 2.94 4.51 0.00 0.13 -4.44 105.19 117.05 3mtn n GLY 376 Ca -0.11 -2.19 -0.17 0.00 0.00 0.00 0.00 46.02 43.55 3mtn n GLY 376 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3mtn s GLN 377 N -1.96 0.55 0.30 1.61 0.74 -0.55 -1.91 119.66 118.45 3mtn s GLN 377 Ca 0.00 -0.16 0.07 0.00 0.05 0.00 0.00 55.36 55.32 3mtn s GLN 377 Cb 0.00 -0.56 -0.03 0.00 1.10 0.00 0.00 33.01 33.53 3mtn s GLN 377 CO 0.00 0.05 0.28 -0.51 -0.55 0.00 0.00 175.29 174.57 3mtn s LEU 378 N 0.22 3.74 -0.25 3.68 1.43 0.18 -0.42 118.68 127.25 3mtn s LEU 378 Ca -0.02 -0.36 -0.01 0.00 -1.03 0.00 0.00 54.13 52.70 3mtn s LEU 378 Cb -0.06 -2.34 0.08 0.00 0.03 0.00 0.00 46.19 43.89 3mtn s LEU 378 CO -0.00 -0.25 0.05 -0.75 0.23 0.00 0.00 176.35 175.63 3mtn s LYS 379 N -3.96 0.81 -0.28 1.70 2.20 -0.09 -2.33 119.74 117.79 3mtn s LYS 379 Ca 0.38 -0.79 -0.17 0.00 -0.36 0.00 0.00 55.97 55.04 3mtn s LYS 379 Cb -0.07 -2.11 -0.03 0.00 -1.51 0.00 0.00 37.83 34.11 3mtn s LYS 379 CO 0.27 -0.79 0.48 -1.54 -0.36 0.00 0.00 175.35 173.40 3mtn s SER 380 N 1.69 6.37 -0.19 1.43 1.04 -0.70 -1.71 113.70 121.63 3mtn s SER 380 Ca 0.03 0.37 -0.07 0.00 0.48 0.00 0.00 55.95 56.76 3mtn s SER 380 Cb -0.17 -2.26 -0.04 0.00 0.10 0.00 0.00 66.02 63.65 3mtn s SER 380 CO -0.16 -0.29 0.06 0.00 0.98 0.00 0.00 173.24 173.83 3mtn s LEU 382 N 0.52 2.94 -0.19 0.00 2.96 0.91 -1.86 118.68 123.96 3mtn s LEU 382 Ca 0.03 -1.15 -0.02 0.00 -0.22 0.00 0.00 54.13 52.77 3mtn s LEU 382 Cb -0.13 -1.47 -0.00 0.00 0.50 0.00 0.00 46.19 45.09 3mtn s LEU 382 CO 0.01 -0.14 -0.10 -1.59 -1.32 0.00 0.00 176.35 173.21 3mtn s LYS 383 N 1.20 3.30 0.23 1.98 -2.85 -0.54 -0.02 119.74 123.05 3mtn s LYS 383 Ca -0.05 -0.68 -0.30 0.00 -1.00 0.00 0.00 55.97 53.94 3mtn s LYS 383 Cb -0.18 -2.81 -0.09 0.00 -2.06 0.00 0.00 37.83 32.69 3mtn s LYS 383 CO -0.07 -0.09 0.98 0.00 0.10 0.00 0.00 175.35 176.27 3mtn h GLN 385 N 4.32 0.00 0.00 0.00 1.08 -1.69 -2.02 115.11 116.80 3mtn h GLN 385 Ca -0.45 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.75 3mtn h GLN 385 Cb 1.20 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.63 3mtn h GLN 385 CO 0.69 0.25 0.00 0.00 -0.95 0.00 0.00 178.83 178.82 3mtn n ALA 386 N -2.19 -0.24 0.01 3.87 0.00 -1.26 -4.52 120.51 116.18 3mtn n ALA 386 Ca 0.02 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.46 3mtn n ALA 386 Cb 0.65 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 20.00 3mtn n ALA 386 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3mtn n GLY 388 N 1.42 0.99 3.73 0.00 0.00 -0.76 -5.05 105.19 105.52 3mtn n GLY 388 Ca -0.12 -0.24 -0.41 0.00 0.00 0.00 0.00 46.02 45.25 3mtn n GLY 388 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3mtn s TYR 389 N -2.00 3.48 -0.41 1.61 5.04 -1.25 -4.64 117.35 119.18 3mtn s TYR 389 Ca 0.00 1.43 -0.17 0.00 -2.44 0.00 0.00 57.07 55.89 3mtn s TYR 389 Cb 0.00 -3.38 0.02 0.00 0.35 0.00 0.00 41.96 38.95 3mtn s TYR 389 CO 0.00 -1.05 0.44 1.03 -1.34 0.00 0.00 175.55 174.63 3mtn s ARG 390 N 0.20 3.19 -0.17 4.97 0.52 -1.26 -1.85 118.95 124.56 3mtn s ARG 390 Ca 0.54 -0.67 -0.09 0.00 -0.52 0.00 0.00 55.73 54.99 3mtn s ARG 390 Cb -0.30 -3.94 -0.05 0.00 0.52 0.00 0.00 34.95 31.18 3mtn s ARG 390 CO 0.33 -0.80 0.13 0.45 0.02 0.00 0.00 175.30 175.43 3mtn s SER 391 N 1.80 6.21 -0.11 0.23 0.15 0.98 -4.96 113.70 118.01 3mtn s SER 391 Ca 0.13 0.29 -0.01 0.00 0.70 0.00 0.00 55.95 57.05 3mtn s SER 391 Cb -0.17 -2.07 0.03 0.00 -1.71 0.00 0.00 66.02 62.11 3mtn s SER 391 CO 0.14 0.25 -0.01 -0.89 1.20 0.00 0.00 173.24 173.92 3mtn s THR 392 N -0.06 0.61 0.07 6.45 2.01 -1.26 -0.06 115.64 123.39 3mtn s THR 392 Ca 0.10 -0.16 0.05 0.00 0.31 0.00 0.00 61.69 61.99 3mtn s THR 392 Cb -0.11 -0.80 -0.03 0.00 0.01 0.00 0.00 72.50 71.56 3mtn s THR 392 CO -0.00 0.19 -0.15 0.28 -0.69 0.00 0.00 174.62 174.25 3mtn s THR 393 N 1.86 1.16 -0.11 -0.82 -1.32 -1.02 -5.03 115.64 110.36 3mtn s THR 393 Ca 0.04 -1.30 0.03 0.00 -1.21 0.00 0.00 61.69 59.24 3mtn s THR 393 Cb -0.13 -1.10 -0.00 0.00 -1.51 0.00 0.00 72.50 69.75 3mtn s THR 393 CO -0.07 -0.20 -0.21 -0.36 -2.21 0.00 0.00 174.62 171.58 3mtn s PHE 394 N -1.24 2.64 0.06 9.09 0.08 -1.26 -1.72 117.98 125.63 3mtn s PHE 394 Ca -0.01 -0.96 0.04 0.00 0.12 0.00 0.00 56.93 56.11 3mtn s PHE 394 Cb -0.10 -1.76 -0.04 0.00 -0.57 0.00 0.00 43.02 40.55 3mtn s PHE 394 CO 0.02 -0.38 0.01 -1.21 -0.10 0.00 0.00 175.22 173.56 3mtn s GLU 395 N 0.39 2.66 -0.00 0.44 0.41 -0.98 -4.94 118.70 116.67 3mtn s GLU 395 Ca -0.16 -0.75 -0.04 0.00 -0.41 0.00 0.00 54.97 53.61 3mtn s GLU 395 Cb -0.17 -2.60 -0.04 0.00 -1.78 0.00 0.00 34.13 29.54 3mtn s GLU 395 CO 0.07 0.57 0.22 0.08 -0.49 0.00 0.00 175.26 175.71 3mtn s VAL 396 N -1.24 5.38 0.01 2.63 1.01 -1.26 0.47 120.40 127.41 3mtn s VAL 396 Ca 0.24 -0.02 -0.01 0.00 0.00 0.00 0.00 61.98 62.19 3mtn s VAL 396 Cb -0.12 -3.55 -0.01 0.00 0.00 0.00 0.00 36.38 32.70 3mtn s VAL 396 CO 0.16 0.35 0.01 0.72 0.00 0.00 0.00 175.10 176.33 3mtn s PHE 397 N -1.31 0.19 -0.37 5.22 -0.12 -0.80 -4.91 117.98 115.88 3mtn s PHE 397 Ca 0.27 -0.39 0.05 0.00 -0.05 0.00 0.00 56.93 56.81 3mtn s PHE 397 Cb -0.13 -0.14 -0.02 0.00 -0.63 0.00 0.00 43.02 42.10 3mtn s PHE 397 CO 0.17 -0.19 0.35 0.00 -0.05 0.00 0.00 175.22 175.50 3mtn s ASP 399 N -1.16 -0.08 -0.12 0.00 -4.77 -1.26 -4.57 116.67 104.71 3mtn s ASP 399 Ca 0.03 -0.94 0.01 0.00 -3.30 0.00 0.00 52.55 48.35 3mtn s ASP 399 Cb 0.04 0.79 0.02 0.00 -1.09 0.00 0.00 42.92 42.68 3mtn s ASP 399 CO 0.16 -1.53 -0.12 -0.76 0.70 0.00 0.00 175.17 173.63 3mtn s LEU 400 N -3.01 1.49 -0.81 2.11 1.02 -0.58 -5.00 118.68 113.91 3mtn s LEU 400 Ca 0.14 -0.38 -0.16 0.00 0.02 0.00 0.00 54.13 53.75 3mtn s LEU 400 Cb -0.05 -0.99 0.17 0.00 0.02 0.00 0.00 46.19 45.34 3mtn s LEU 400 CO 0.10 -0.06 0.85 -0.44 0.02 0.00 0.00 176.35 176.82 3mtn s SER 401 N 1.38 6.60 0.24 2.29 0.01 -1.26 0.18 113.70 123.15 3mtn s SER 401 Ca 0.01 -2.25 -0.30 0.00 1.31 0.00 0.00 55.95 54.72 3mtn s SER 401 Cb -0.13 -2.28 -0.09 0.00 0.21 0.00 0.00 66.02 63.73 3mtn s SER 401 CO -0.06 -0.82 1.07 -0.76 0.41 0.00 0.00 173.24 173.07 3mtn s LEU 402 N 1.40 4.55 0.55 2.44 1.43 -0.06 -4.81 118.68 124.18 3mtn s LEU 402 Ca 0.21 2.15 -0.16 0.00 -1.03 0.00 0.00 54.13 55.29 3mtn s LEU 402 Cb -0.12 -3.62 -0.06 0.00 0.03 0.00 0.00 46.19 42.42 3mtn s LEU 402 CO -0.06 -0.10 1.01 -2.16 0.23 0.00 0.00 176.35 175.27 3mtn s PRO 403 N -1.07 3.70 -0.22 1.29 0.04 -1.26 -2.00 135.00 135.48 3mtn s PRO 403 Ca 0.45 1.04 -0.07 0.00 0.04 0.00 0.00 61.00 62.47 3mtn s PRO 403 Cb -0.30 -2.10 -0.03 0.00 0.04 0.00 0.00 34.50 32.11 3mtn s PRO 403 CO 0.37 -0.48 0.06 0.42 0.04 0.00 0.00 177.00 177.41 3mtn s ILE 404 N -2.57 4.37 0.81 0.56 -1.09 -1.26 -4.58 121.20 117.42 3mtn s ILE 404 Ca 0.61 -0.16 -0.11 0.00 -2.23 0.00 0.00 60.65 58.75 3mtn s ILE 404 Cb -0.12 -3.01 0.08 0.00 -1.58 0.00 0.00 42.46 37.82 3mtn s ILE 404 CO 0.34 0.38 1.09 -2.16 -1.23 0.00 0.00 174.94 173.36 3mtn s PRO 405 N 1.18 1.98 0.00 2.79 0.04 -1.26 -5.03 135.00 134.70 3mtn s PRO 405 Ca 0.04 0.99 0.00 0.00 0.04 0.00 0.00 61.00 62.07 3mtn s PRO 405 Cb -0.14 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.52 3mtn s PRO 405 CO 0.03 -1.79 0.12 1.63 0.04 0.00 0.00 177.00 177.03 3mtn n LYS 406 N -3.60 0.00 -1.13 4.56 5.02 -1.26 -4.86 118.16 116.89 3mtn n LYS 406 Ca 0.08 0.00 -0.31 0.00 -2.02 0.00 0.00 58.31 56.06 3mtn n LYS 406 Cb 0.54 -0.56 0.11 0.00 -0.02 0.00 0.00 35.03 35.10 3mtn n LYS 406 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 3mtn s LYS 407 N -0.24 1.91 0.00 1.97 -2.85 -1.26 -4.97 119.74 114.30 3mtn s LYS 407 Ca 0.00 1.34 0.00 0.00 -1.00 0.00 0.00 55.97 56.31 3mtn s LYS 407 Cb 0.00 -1.84 0.00 0.00 -2.06 0.00 0.00 37.83 33.93 3mtn s LYS 407 CO 0.00 -1.93 0.00 0.41 0.10 0.00 0.00 175.35 173.93 3mtn n GLY 408 N -0.62 0.18 2.88 0.59 0.00 -1.20 -4.89 105.19 102.13 3mtn n GLY 408 Ca 0.10 -0.06 -0.24 0.00 0.00 0.00 0.00 46.02 45.82 3mtn n GLY 408 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3mtn s PHE 409 N 0.00 1.13 -1.46 1.61 2.19 -1.26 -4.74 117.98 115.45 3mtn s PHE 409 Ca 0.00 -0.46 -0.10 0.00 0.33 0.00 0.00 56.93 56.69 3mtn s PHE 409 Cb 0.00 -0.99 0.06 0.00 -1.31 0.00 0.00 43.02 40.77 3mtn s PHE 409 CO 0.00 -0.38 0.96 0.00 1.83 0.00 0.00 175.22 177.63 3mtn n ALA 410 N 4.68 -1.45 -0.19 11.12 0.00 -1.26 -2.52 120.51 130.90 3mtn n ALA 410 Ca -0.15 0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3mtn n ALA 410 Cb 0.50 -4.09 0.00 0.00 0.00 0.00 0.00 19.45 15.87 3mtn n ALA 410 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mtn n GLY 411 N -1.70 1.35 0.00 0.00 0.00 -1.26 -4.98 105.19 98.60 3mtn n GLY 411 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 3mtn n GLY 411 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mtn n GLY 412 N -2.00 -2.22 3.76 -0.02 0.00 -1.05 -4.46 105.19 99.20 3mtn n GLY 412 Ca 0.00 -1.48 -0.39 0.00 0.00 0.00 0.00 46.02 44.15 3mtn n GLY 412 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mtn s LYS 413 N -2.99 3.42 -0.00 1.61 3.01 -1.26 -3.23 119.74 120.29 3mtn s LYS 413 Ca 0.00 2.26 -0.30 0.00 -1.01 0.00 0.00 55.97 56.91 3mtn s LYS 413 Cb 0.00 -2.43 -0.05 0.00 -1.01 0.00 0.00 37.83 34.34 3mtn s LYS 413 CO 0.00 -0.98 1.39 0.08 0.51 0.00 0.00 175.35 176.35 3mtn s VAL 414 N -1.29 3.74 0.37 3.17 1.01 -1.25 -4.21 120.40 121.96 3mtn s VAL 414 Ca 0.67 1.12 0.07 0.00 0.00 0.00 0.00 61.98 63.84 3mtn s VAL 414 Cb -0.40 -3.72 -0.01 0.00 0.00 0.00 0.00 36.38 32.24 3mtn s VAL 414 CO 0.50 -0.00 0.44 -0.94 0.00 0.00 0.00 175.10 175.09 3mtn s SER 415 N 1.86 5.56 0.21 3.32 1.04 -1.26 -1.03 113.70 123.40 3mtn s SER 415 Ca 0.63 -0.43 -0.10 0.00 0.48 0.00 0.00 55.95 56.54 3mtn s SER 415 Cb -0.31 -0.89 0.15 0.00 0.10 0.00 0.00 66.02 65.07 3mtn s SER 415 CO 0.26 -0.54 1.84 0.25 0.98 0.00 0.00 173.24 176.03 3mtn h LEU 416 N 0.93 0.90 -1.13 2.42 5.85 -1.16 -1.69 115.31 121.44 3mtn h LEU 416 Ca -0.43 -0.07 0.15 0.00 0.84 0.00 0.00 57.88 58.37 3mtn h LEU 416 Cb 1.26 -0.23 -0.08 0.00 0.37 0.00 0.00 40.66 41.98 3mtn h LEU 416 CO 0.53 0.71 0.61 -0.09 -0.34 0.00 0.00 178.44 179.85 3mtn h ARG 417 N 1.02 0.78 0.00 1.25 2.43 -1.96 0.11 114.38 118.01 3mtn h ARG 417 Ca 0.27 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.37 3mtn h ARG 417 Cb -0.02 -0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 29.35 3mtn h ARG 417 CO -0.05 0.52 -0.10 -0.44 -1.51 0.00 0.00 179.97 178.39 3mtn h ASP 418 N 0.81 0.00 0.56 -3.80 3.32 -1.70 0.83 116.42 116.43 3mtn h ASP 418 Ca 0.50 0.00 -0.28 0.00 0.02 0.00 0.00 57.03 57.27 3mtn h ASP 418 Cb 0.71 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.27 3mtn h ASP 418 CO -0.27 0.10 -1.27 0.00 -1.72 0.00 0.00 179.24 176.08 3mtn h PHE 420 N 0.09 -0.03 -0.76 0.00 0.04 -0.85 -2.08 116.94 113.35 3mtn h PHE 420 Ca -0.15 -0.00 0.07 0.00 2.80 0.00 0.00 57.97 60.69 3mtn h PHE 420 Cb 1.99 0.01 -0.09 0.00 2.20 0.00 0.00 35.95 40.06 3mtn h PHE 420 CO 0.07 0.23 -0.45 0.09 -0.60 0.00 0.00 178.31 177.66 3mtn n ASN 421 N -4.98 -0.80 0.21 2.17 3.02 0.24 -0.11 115.26 115.01 3mtn n ASN 421 Ca -0.08 1.47 0.04 0.00 -0.03 0.00 0.00 54.58 55.98 3mtn n ASN 421 Cb 0.16 -0.23 0.45 0.00 -0.61 0.00 0.00 39.78 39.55 3mtn n ASN 421 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 3mtn h LEU 422 N 0.00 0.00 -0.31 3.41 5.85 -1.47 0.73 115.31 123.52 3mtn h LEU 422 Ca 0.12 0.00 -0.20 0.00 0.84 0.00 0.00 57.88 58.64 3mtn h LEU 422 Cb 0.31 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.34 3mtn h LEU 422 CO -0.71 0.25 -0.75 0.15 -0.34 0.00 0.00 178.44 177.04 3mtn h PHE 423 N 0.00 0.74 -0.09 1.25 3.57 -0.39 -3.24 116.94 118.78 3mtn h PHE 423 Ca -0.00 -0.33 0.00 0.00 3.53 0.00 0.00 57.97 61.17 3mtn h PHE 423 Cb 0.44 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.07 3mtn h PHE 423 CO 0.00 1.11 0.00 2.41 -2.23 0.00 0.00 178.31 179.60 3mtn n THR 424 N -3.87 0.09 -1.74 4.41 -1.04 0.85 -4.38 114.28 108.59 3mtn n THR 424 Ca -0.05 -0.50 -0.40 0.00 -2.04 0.00 0.00 64.05 61.06 3mtn n THR 424 Cb 0.72 1.25 0.03 0.00 -1.82 0.00 0.00 70.33 70.51 3mtn n THR 424 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 3mtn n LYS 425 N 1.19 1.97 -2.71 -2.82 4.81 0.25 -4.38 118.16 116.46 3mtn n LYS 425 Ca 0.16 0.71 -0.42 0.00 -0.87 0.00 0.00 58.31 57.88 3mtn n LYS 425 Cb 0.56 -2.54 -0.03 0.00 0.02 0.00 0.00 35.03 33.04 3mtn n LYS 425 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 3mtn s GLU 426 N -2.53 4.57 0.08 1.64 2.12 -1.26 -4.39 118.70 118.93 3mtn s GLU 426 Ca 0.65 1.43 0.04 0.00 0.36 0.00 0.00 54.97 57.44 3mtn s GLU 426 Cb -0.45 -3.45 -0.03 0.00 0.26 0.00 0.00 34.13 30.45 3mtn s GLU 426 CO 0.55 -0.03 -0.11 -1.83 -0.54 0.00 0.00 175.26 173.30 3mtn s GLU 427 N 0.93 0.79 -0.08 4.30 -1.05 -0.85 -4.98 118.70 117.76 3mtn s GLU 427 Ca 0.52 -1.04 -0.15 0.00 -0.15 0.00 0.00 54.97 54.14 3mtn s GLU 427 Cb -0.21 -0.56 -0.05 0.00 -0.44 0.00 0.00 34.13 32.87 3mtn s GLU 427 CO 0.28 0.10 0.39 -1.21 0.95 0.00 0.00 175.26 175.78 3mtn s GLU 428 N -2.34 4.12 -0.37 -4.83 8.01 -1.26 -1.62 118.70 120.41 3mtn s GLU 428 Ca 0.01 0.33 -0.09 0.00 0.01 0.00 0.00 54.97 55.24 3mtn s GLU 428 Cb -0.06 -3.34 0.04 0.00 -4.31 0.00 0.00 34.13 26.47 3mtn s GLU 428 CO 0.01 0.42 0.17 -0.51 0.01 0.00 0.00 175.26 175.36 3mtn s LEU 429 N -0.17 4.65 0.18 1.80 1.43 0.02 -4.96 118.68 121.63 3mtn s LEU 429 Ca 0.22 -1.18 0.09 0.00 -1.03 0.00 0.00 54.13 52.23 3mtn s LEU 429 Cb -0.15 -1.95 -0.04 0.00 0.03 0.00 0.00 46.19 44.08 3mtn s LEU 429 CO 0.10 -0.40 -0.18 -1.83 0.23 0.00 0.00 176.35 174.27 3mtn s GLU 430 N 1.46 1.32 4.92 1.70 -1.05 -1.26 -2.08 118.70 123.71 3mtn s GLU 430 Ca 0.01 -1.47 0.00 0.00 -0.15 0.00 0.00 54.97 53.35 3mtn s GLU 430 Cb -0.20 -1.34 0.00 0.00 -0.44 0.00 0.00 34.13 32.15 3mtn s GLU 430 CO 0.04 0.26 0.00 -1.13 0.95 0.00 0.00 175.26 175.38 3mtn n SER 431 N 0.10 0.00 0.00 0.83 3.41 -1.26 -2.68 113.62 114.01 3mtn n SER 431 Ca -0.12 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.49 3mtn n SER 431 Cb 0.58 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.53 3mtn n SER 431 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 3mtn n GLU 432 N 14.00 0.00 -0.03 4.33 -0.00 -1.26 -0.13 120.64 137.55 3mtn n GLU 432 Ca 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 57.16 57.18 3mtn n GLU 432 Cb 0.00 -1.33 0.04 0.00 -0.00 0.00 0.00 31.44 30.14 3mtn n GLU 432 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 3mtn n ASN 433 N -0.80 1.79 -4.83 -1.84 2.85 -1.09 -5.03 115.26 106.31 3mtn n ASN 433 Ca 0.00 -1.53 -0.38 0.00 -0.11 0.00 0.00 54.58 52.56 3mtn n ASN 433 Cb 0.00 -0.04 -0.06 0.00 1.24 0.00 0.00 39.78 40.92 3mtn n ASN 433 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3mtn s ALA 434 N -0.63 3.65 0.82 5.20 0.00 0.81 -4.45 121.76 127.15 3mtn s ALA 434 Ca 0.07 -0.13 -0.12 0.00 0.00 0.00 0.00 51.96 51.78 3mtn s ALA 434 Cb 0.04 -2.48 0.08 0.00 0.00 0.00 0.00 23.12 20.76 3mtn s ALA 434 CO 0.06 0.46 1.15 -1.25 0.00 0.00 0.00 175.76 176.17 3mtn s PRO 435 N -1.23 1.89 -0.40 0.00 0.04 -1.26 -4.85 135.00 129.18 3mtn s PRO 435 Ca 0.28 0.24 -0.13 0.00 0.04 0.00 0.00 61.00 61.43 3mtn s PRO 435 Cb -0.17 -1.93 0.03 0.00 0.04 0.00 0.00 34.50 32.47 3mtn s PRO 435 CO 0.16 -1.67 0.27 0.14 0.04 0.00 0.00 177.00 175.94 3mtn s VAL 436 N -3.45 4.92 0.20 -0.36 -7.23 -1.26 -4.13 120.40 109.09 3mtn s VAL 436 Ca 0.62 -0.81 -0.32 0.00 -1.81 0.00 0.00 61.98 59.66 3mtn s VAL 436 Cb -0.12 -3.77 -0.15 0.00 0.56 0.00 0.00 36.38 32.89 3mtn s VAL 436 CO 0.51 -0.31 1.14 0.00 -0.31 0.00 0.00 175.10 176.13 3mtn n ASP 438 N 1.86 0.25 -0.02 0.00 8.00 -1.26 -1.98 116.55 123.41 3mtn n ASP 438 Ca 0.14 0.57 -0.02 0.00 0.71 0.00 0.00 54.79 56.18 3mtn n ASP 438 Cb 0.27 -0.62 -0.01 0.00 -0.02 0.00 0.00 41.12 40.74 3mtn n ASP 438 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3mtn n ARG 439 N -1.78 0.12 0.11 -1.24 5.12 -1.26 -4.80 116.66 112.92 3mtn n ARG 439 Ca 0.03 0.05 0.12 0.00 -1.93 0.00 0.00 57.85 56.11 3mtn n ARG 439 Cb 0.17 -0.61 0.19 0.00 -1.16 0.00 0.00 32.46 31.05 3mtn n ARG 439 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3mtn n ARG 441 N -2.44 -5.38 -3.97 0.00 1.74 -0.84 -4.97 116.66 100.80 3mtn n ARG 441 Ca 0.03 0.77 -0.10 0.00 -0.77 0.00 0.00 57.85 57.78 3mtn n ARG 441 Cb 0.48 -5.50 -0.11 0.00 -1.02 0.00 0.00 32.46 26.30 3mtn n ARG 441 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 3mtn s GLN 442 N -5.08 0.29 -0.72 5.56 0.74 -1.26 -4.86 119.66 114.33 3mtn s GLN 442 Ca 0.06 -0.54 -0.27 0.00 0.05 0.00 0.00 55.36 54.66 3mtn s GLN 442 Cb -0.01 0.07 0.03 0.00 1.10 0.00 0.00 33.01 34.20 3mtn s GLN 442 CO 0.66 -0.04 1.31 0.15 -0.55 0.00 0.00 175.29 176.82 3mtn s LYS 443 N -1.29 3.18 0.20 1.67 1.02 -1.26 -3.46 119.74 119.79 3mtn s LYS 443 Ca -0.14 -0.15 -0.01 0.00 0.02 0.00 0.00 55.97 55.70 3mtn s LYS 443 Cb -0.09 -4.18 -0.04 0.00 -0.52 0.00 0.00 37.83 33.00 3mtn s LYS 443 CO -0.01 -2.15 0.12 -0.08 -0.92 0.00 0.00 175.35 172.31 3mtn s THR 444 N 5.89 0.05 0.42 2.17 -1.32 -1.26 -4.97 115.64 116.62 3mtn s THR 444 Ca 0.38 -1.99 -0.23 0.00 -1.21 0.00 0.00 61.69 58.63 3mtn s THR 444 Cb -0.08 -2.46 -0.12 0.00 -1.51 0.00 0.00 72.50 68.33 3mtn s THR 444 CO 0.16 -0.05 0.72 0.54 -2.21 0.00 0.00 174.62 173.78 3mtn n ARG 445 N -0.26 0.82 -4.09 7.08 1.74 -1.26 -4.54 116.66 116.15 3mtn n ARG 445 Ca 0.01 0.30 -0.10 0.00 -0.77 0.00 0.00 57.85 57.29 3mtn n ARG 445 Cb 0.66 -1.69 -0.09 0.00 -1.02 0.00 0.00 32.46 30.32 3mtn n ARG 445 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 3mtn s SER 446 N -0.89 0.17 -0.05 0.55 0.01 -0.88 -1.83 113.70 110.77 3mtn s SER 446 Ca 0.64 -1.11 0.03 0.00 1.31 0.00 0.00 55.95 56.82 3mtn s SER 446 Cb -0.60 0.38 -0.02 0.00 0.21 0.00 0.00 66.02 65.99 3mtn s SER 446 CO 0.57 -0.83 -0.15 -0.89 0.41 0.00 0.00 173.24 172.36 3mtn s THR 447 N -4.04 3.02 -0.06 1.44 2.01 0.65 -0.80 115.64 117.86 3mtn s THR 447 Ca 0.24 -0.73 0.02 0.00 0.31 0.00 0.00 61.69 61.53 3mtn s THR 447 Cb 0.05 -2.19 0.02 0.00 0.01 0.00 0.00 72.50 70.40 3mtn s THR 447 CO 0.03 0.59 -0.10 -0.75 -0.69 0.00 0.00 174.62 173.70 3mtn s LYS 448 N -0.64 1.44 -0.07 4.92 2.20 -0.64 -1.46 119.74 125.50 3mtn s LYS 448 Ca 0.10 -0.32 -0.00 0.00 -0.36 0.00 0.00 55.97 55.39 3mtn s LYS 448 Cb -0.11 -1.26 0.02 0.00 -1.51 0.00 0.00 37.83 34.98 3mtn s LYS 448 CO 0.01 -0.02 -0.03 0.21 -0.36 0.00 0.00 175.35 175.16 3mtn s LYS 449 N 0.80 0.85 -0.23 4.03 2.20 -0.78 -2.01 119.74 124.60 3mtn s LYS 449 Ca -0.12 -0.04 -0.18 0.00 -0.36 0.00 0.00 55.97 55.27 3mtn s LYS 449 Cb -0.15 -1.00 -0.03 0.00 -1.51 0.00 0.00 37.83 35.13 3mtn s LYS 449 CO 0.02 -0.20 0.49 -0.51 -0.36 0.00 0.00 175.35 174.80 3mtn s LEU 450 N 1.46 4.11 0.08 5.43 1.02 -1.26 -1.13 118.68 128.38 3mtn s LEU 450 Ca -0.02 0.58 0.05 0.00 0.02 0.00 0.00 54.13 54.75 3mtn s LEU 450 Cb -0.13 -2.65 -0.03 0.00 0.02 0.00 0.00 46.19 43.40 3mtn s LEU 450 CO -0.03 -0.21 -0.13 0.42 0.02 0.00 0.00 176.35 176.42 3mtn s THR 451 N 1.87 1.04 -0.12 5.49 -4.23 -0.69 -4.18 115.64 114.82 3mtn s THR 451 Ca 0.22 -1.36 -0.29 0.00 -1.18 0.00 0.00 61.69 59.07 3mtn s THR 451 Cb -0.15 -1.10 -0.01 0.00 1.34 0.00 0.00 72.50 72.58 3mtn s THR 451 CO 0.09 -0.31 0.98 -0.69 -0.54 0.00 0.00 174.62 174.16 3mtn s VAL 452 N -1.53 4.79 -0.25 2.29 1.01 0.13 -0.92 120.40 125.93 3mtn s VAL 452 Ca -0.01 1.99 -0.17 0.00 0.00 0.00 0.00 61.98 63.79 3mtn s VAL 452 Cb -0.09 -4.29 -0.15 0.00 0.00 0.00 0.00 36.38 31.86 3mtn s VAL 452 CO 0.02 0.00 -0.13 1.67 0.00 0.00 0.00 175.10 176.66 3mtn n GLN 453 N 5.06 0.58 -4.83 2.72 -0.06 0.44 -3.16 117.38 118.12 3mtn n GLN 453 Ca 0.08 0.38 -0.30 0.00 -2.00 0.00 0.00 57.00 55.17 3mtn n GLN 453 Cb 0.49 -1.59 -0.17 0.00 -4.06 0.00 0.00 30.24 24.91 3mtn n GLN 453 CO 0.00 0.00 0.00 1.03 -0.20 0.00 0.00 177.06 177.89 3mtn s ARG 454 N -2.45 2.57 -0.06 3.69 0.52 -0.97 -4.82 118.95 117.42 3mtn s ARG 454 Ca -0.35 -0.70 -0.18 0.00 -0.52 0.00 0.00 55.73 53.98 3mtn s ARG 454 Cb 0.11 -2.03 -0.05 0.00 0.52 0.00 0.00 34.95 33.50 3mtn s ARG 454 CO 0.53 0.06 0.48 -0.06 0.02 0.00 0.00 175.30 176.34 3mtn s PHE 455 N 0.62 3.60 0.72 -0.53 0.40 -1.26 -1.48 117.98 120.06 3mtn s PHE 455 Ca -0.14 0.98 -0.11 0.00 -0.60 0.00 0.00 56.93 57.06 3mtn s PHE 455 Cb -0.16 -2.50 0.02 0.00 0.51 0.00 0.00 43.02 40.89 3mtn s PHE 455 CO 0.04 0.32 1.07 -2.14 0.70 0.00 0.00 175.22 175.21 3mtn s PRO 456 N 0.03 2.73 0.20 0.24 0.02 -1.26 -4.87 135.00 132.09 3mtn s PRO 456 Ca 0.26 0.93 -0.05 0.00 0.02 0.00 0.00 61.00 62.17 3mtn s PRO 456 Cb -0.16 -1.97 0.14 0.00 0.02 0.00 0.00 34.50 32.53 3mtn s PRO 456 CO 0.12 -1.24 1.57 0.00 -0.33 0.00 0.00 177.00 177.12 3mtn h ARG 457 N -0.82 0.70 -5.01 5.54 3.08 -1.67 -3.41 114.38 112.79 3mtn h ARG 457 Ca -0.44 -0.35 -0.67 0.00 0.07 0.00 0.00 59.98 58.59 3mtn h ARG 457 Cb 1.22 0.00 -0.34 0.00 0.08 0.00 0.00 29.97 30.93 3mtn h ARG 457 CO 0.56 0.96 -0.82 0.42 -1.07 0.00 0.00 179.97 180.02 3mtn s ILE 458 N -4.34 2.30 -0.31 2.04 -1.09 0.98 -1.91 121.20 118.87 3mtn s ILE 458 Ca -0.09 -1.00 -0.13 0.00 -2.23 0.00 0.00 60.65 57.20 3mtn s ILE 458 Cb 0.12 -2.06 -0.03 0.00 -1.58 0.00 0.00 42.46 38.91 3mtn s ILE 458 CO 0.84 0.41 0.26 -0.22 -1.23 0.00 0.00 174.94 175.00 3mtn s LEU 459 N 1.29 4.26 -0.27 2.97 0.20 0.45 -4.26 118.68 123.32 3mtn s LEU 459 Ca 0.03 -0.15 -0.08 0.00 0.69 0.00 0.00 54.13 54.61 3mtn s LEU 459 Cb -0.15 -2.20 -0.02 0.00 -0.43 0.00 0.00 46.19 43.39 3mtn s LEU 459 CO -0.10 -0.18 0.09 -0.69 -0.29 0.00 0.00 176.35 175.19 3mtn s VAL 460 N 1.83 4.39 -0.27 1.68 1.01 -1.26 -0.05 120.40 127.73 3mtn s VAL 460 Ca 0.08 -0.25 -0.03 0.00 0.00 0.00 0.00 61.98 61.79 3mtn s VAL 460 Cb -0.17 -3.11 0.03 0.00 0.00 0.00 0.00 36.38 33.13 3mtn s VAL 460 CO 0.11 0.25 -0.02 -0.76 0.00 0.00 0.00 175.10 174.69 3mtn s LEU 461 N 1.61 3.51 -0.23 3.92 1.43 0.76 -1.52 118.68 128.17 3mtn s LEU 461 Ca 0.06 -0.96 -0.19 0.00 -1.03 0.00 0.00 54.13 52.01 3mtn s LEU 461 Cb -0.16 -1.72 -0.03 0.00 0.03 0.00 0.00 46.19 44.32 3mtn s LEU 461 CO 0.04 -0.18 0.56 -2.28 0.23 0.00 0.00 176.35 174.72 3mtn s HIS 462 N 1.34 3.33 -0.52 0.29 5.65 0.13 -0.32 115.29 125.18 3mtn s HIS 462 Ca -0.01 0.77 -0.20 0.00 0.25 0.00 0.00 55.06 55.87 3mtn s HIS 462 Cb -0.18 -2.74 0.05 0.00 -1.18 0.00 0.00 32.58 28.54 3mtn s HIS 462 CO -0.02 -0.21 0.71 -0.51 -0.65 0.00 0.00 174.74 174.06 3mtn s LEU 463 N 2.03 4.73 -1.24 8.88 1.43 0.62 -0.88 118.68 134.25 3mtn s LEU 463 Ca 0.24 -0.76 -0.20 0.00 -1.03 0.00 0.00 54.13 52.38 3mtn s LEU 463 Cb -0.16 -2.55 0.02 0.00 0.03 0.00 0.00 46.19 43.53 3mtn s LEU 463 CO 0.09 -0.99 1.79 0.21 0.23 0.00 0.00 176.35 177.68 3mtn s ASN 464 N 2.74 6.22 -1.28 2.29 3.04 -0.85 -4.88 114.94 122.23 3mtn s ASN 464 Ca 0.19 -2.10 -0.10 0.00 0.04 0.00 0.00 52.86 50.89 3mtn s ASN 464 Cb -0.17 -2.58 0.16 0.00 -1.54 0.00 0.00 41.25 37.12 3mtn s ASN 464 CO 0.14 -1.82 1.83 0.54 -3.04 0.00 0.00 177.10 174.75 3mtn n ARG 465 N 8.40 3.58 -3.71 0.43 1.74 -1.26 -4.45 116.66 121.39 3mtn n ARG 465 Ca 0.46 -3.54 -0.17 0.00 -0.77 0.00 0.00 57.85 53.83 3mtn n ARG 465 Cb 0.46 -2.95 -0.16 0.00 -1.02 0.00 0.00 32.46 28.80 3mtn n ARG 465 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3mtn s PHE 466 N 0.58 -0.04 -0.82 -1.55 0.08 -1.26 -1.96 117.98 113.00 3mtn s PHE 466 Ca 0.40 0.34 -0.03 0.00 0.12 0.00 0.00 56.93 57.77 3mtn s PHE 466 Cb 0.08 -0.30 0.21 0.00 -0.57 0.00 0.00 43.02 42.44 3mtn s PHE 466 CO 0.00 -0.18 0.70 -1.54 -0.10 0.00 0.00 175.22 174.10 3mtn s SER 467 N 1.74 5.85 1.14 1.36 1.04 -0.11 -4.80 113.70 119.93 3mtn s SER 467 Ca -0.02 -3.45 -0.17 0.00 0.48 0.00 0.00 55.95 52.80 3mtn s SER 467 Cb -0.12 -1.91 0.20 0.00 0.10 0.00 0.00 66.02 64.29 3mtn s SER 467 CO -0.04 -0.25 0.37 0.00 0.98 0.00 0.00 173.24 174.30 3mtn n ALA 468 N 2.71 -2.69 -0.06 5.32 0.00 -1.26 -3.77 120.51 120.77 3mtn n ALA 468 Ca 0.18 -1.30 0.00 0.00 0.00 0.00 0.00 53.44 52.32 3mtn n ALA 468 Cb 0.38 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.58 3mtn n ALA 468 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3mtn n ARG 470 N -2.82 -0.88 0.22 0.00 5.12 -1.26 -4.98 116.66 112.06 3mtn n ARG 470 Ca 0.06 -0.49 0.15 0.00 -1.93 0.00 0.00 57.85 55.64 3mtn n ARG 470 Cb 0.49 -0.97 0.71 0.00 -1.16 0.00 0.00 32.46 31.52 3mtn n ARG 470 CO 0.00 0.00 0.00 0.78 -1.93 0.00 0.00 177.63 176.48 3mtn h GLY 471 N 0.00 0.00 -0.52 -0.13 0.00 -2.08 -3.46 103.07 96.87 3mtn h GLY 471 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 47.33 47.42 3mtn h GLY 471 CO 0.00 0.00 0.25 -1.26 0.00 0.00 0.00 176.54 175.53 3mtn n SER 472 N -2.64 -0.43 -4.04 0.19 2.88 -1.26 -5.16 113.62 103.17 3mtn n SER 472 Ca -0.00 -1.14 -0.28 0.00 -1.33 0.00 0.00 58.87 56.11 3mtn n SER 472 Cb 0.18 0.67 -0.17 0.00 -0.75 0.00 0.00 64.21 64.14 3mtn n SER 472 CO 0.00 0.00 0.00 0.27 -1.23 0.00 0.00 175.04 174.08 3mtn s ILE 473 N -2.21 1.43 0.22 2.46 -5.25 -1.26 -4.68 121.20 111.91 3mtn s ILE 473 Ca 0.09 -0.60 0.10 0.00 -0.99 0.00 0.00 60.65 59.25 3mtn s ILE 473 Cb -0.00 -1.32 -0.05 0.00 2.95 0.00 0.00 42.46 44.04 3mtn s ILE 473 CO 0.00 0.43 -0.18 -0.54 -1.79 0.00 0.00 174.94 172.86 3mtn s LYS 474 N 1.07 1.45 0.02 0.37 -0.14 -1.25 -4.94 119.74 116.33 3mtn s LYS 474 Ca -0.05 -1.60 -0.30 0.00 -1.36 0.00 0.00 55.97 52.66 3mtn s LYS 474 Cb -0.15 -1.47 -0.04 0.00 -1.68 0.00 0.00 37.83 34.49 3mtn s LYS 474 CO -0.03 0.28 1.11 0.21 -0.76 0.00 0.00 175.35 176.16 3mtn s LYS 475 N -3.28 4.48 -0.15 1.68 2.20 -1.26 -0.93 119.74 122.47 3mtn s LYS 475 Ca 0.23 1.61 -0.29 0.00 -0.36 0.00 0.00 55.97 57.16 3mtn s LYS 475 Cb -0.04 -3.41 -0.01 0.00 -1.51 0.00 0.00 37.83 32.86 3mtn s LYS 475 CO 0.10 -0.19 1.09 -1.12 -0.36 0.00 0.00 175.35 174.86 3mtn s SER 476 N 1.07 7.12 -0.18 1.43 0.01 -0.83 -4.80 113.70 117.53 3mtn s SER 476 Ca 0.56 1.54 0.16 0.00 1.31 0.00 0.00 55.95 59.51 3mtn s SER 476 Cb -0.25 -2.55 0.60 0.00 0.21 0.00 0.00 66.02 64.03 3mtn s SER 476 CO 0.28 -0.60 1.51 -1.20 0.41 0.00 0.00 173.24 173.64 3mtn n SER 477 N 5.77 4.34 -4.68 2.44 7.64 -1.26 -4.78 113.62 123.10 3mtn n SER 477 Ca 0.11 -2.88 -0.39 0.00 1.01 0.00 0.00 58.87 56.72 3mtn n SER 477 Cb 0.47 -0.56 0.03 0.00 -1.01 0.00 0.00 64.21 63.14 3mtn n SER 477 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 3mtn n VAL 478 N -0.04 3.27 -2.97 0.44 0.31 -1.26 -4.94 118.33 113.14 3mtn n VAL 478 Ca 0.23 -0.50 -0.43 0.00 -0.01 0.00 0.00 64.34 63.63 3mtn n VAL 478 Cb 0.94 -1.43 -0.05 0.00 -0.91 0.00 0.00 33.84 32.38 3mtn n VAL 478 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 3mtn s GLY 479 N -0.88 1.60 -0.24 2.92 0.00 -1.26 -4.99 107.32 104.47 3mtn s GLY 479 Ca 0.69 -1.01 -0.17 0.00 0.00 0.00 0.00 44.72 44.22 3mtn s GLY 479 CO 0.52 1.77 0.47 0.14 0.00 0.00 0.00 173.10 176.01 3mtn s VAL 480 N 3.26 5.12 -0.44 1.40 1.01 -1.26 -3.77 120.40 125.73 3mtn s VAL 480 Ca 0.29 0.82 -0.26 0.00 0.00 0.00 0.00 61.98 62.84 3mtn s VAL 480 Cb -0.12 -3.79 0.02 0.00 0.00 0.00 0.00 36.38 32.49 3mtn s VAL 480 CO 0.22 0.15 0.96 -0.62 0.00 0.00 0.00 175.10 175.81 3mtn s ASP 481 N 1.37 6.57 -0.07 3.32 3.68 -0.20 -4.79 116.67 126.55 3mtn s ASP 481 Ca 0.21 0.30 0.04 0.00 2.13 0.00 0.00 52.55 55.22 3mtn s ASP 481 Cb -0.15 -2.47 -0.02 0.00 -1.45 0.00 0.00 42.92 38.83 3mtn s ASP 481 CO 0.09 -1.03 -0.18 0.72 0.13 0.00 0.00 175.17 174.90 3mtn s PHE 482 N 3.80 2.62 0.52 -5.34 -0.12 -1.26 -0.53 117.98 117.66 3mtn s PHE 482 Ca 0.39 -0.50 -0.20 0.00 -0.05 0.00 0.00 56.93 56.57 3mtn s PHE 482 Cb -0.10 -1.67 -0.07 0.00 -0.63 0.00 0.00 43.02 40.55 3mtn s PHE 482 CO 0.25 -0.07 1.08 -1.25 -0.05 0.00 0.00 175.22 175.18 3mtn s PRO 483 N -0.24 3.59 -0.25 1.99 0.04 -1.26 -4.96 135.00 133.91 3mtn s PRO 483 Ca -0.00 1.45 -0.10 0.00 0.04 0.00 0.00 61.00 62.39 3mtn s PRO 483 Cb -0.13 -2.05 -0.15 0.00 0.04 0.00 0.00 34.50 32.20 3mtn s PRO 483 CO 0.03 -0.63 -0.19 1.28 0.04 0.00 0.00 177.00 177.53 3mtn n LEU 484 N -1.17 2.28 -0.09 -3.56 4.32 -1.26 -4.57 117.00 112.95 3mtn n LEU 484 Ca 0.10 0.21 -0.15 0.00 -0.02 0.00 0.00 56.01 56.15 3mtn n LEU 484 Cb 0.52 -0.89 -0.08 0.00 -1.62 0.00 0.00 43.42 41.35 3mtn n LEU 484 CO 0.41 0.66 -0.34 1.56 -1.22 0.00 0.00 177.39 178.46 3mtn h GLN 485 N -0.64 0.00 -3.85 3.23 1.08 -1.89 0.89 115.11 113.94 3mtn h GLN 485 Ca -0.60 0.00 -0.66 0.00 -1.45 0.00 0.00 58.65 55.94 3mtn h GLN 485 Cb 1.69 0.00 -0.39 0.00 -0.05 0.00 0.00 27.48 28.72 3mtn h GLN 485 CO -0.26 0.68 -0.61 1.03 -0.95 0.00 0.00 178.83 178.72 3mtn s ARG 486 N -2.27 1.93 -0.44 1.46 0.52 -1.26 -3.96 118.95 114.94 3mtn s ARG 486 Ca -0.22 -2.35 -0.19 0.00 -0.52 0.00 0.00 55.73 52.44 3mtn s ARG 486 Cb 0.04 -3.37 0.03 0.00 0.52 0.00 0.00 34.95 32.16 3mtn s ARG 486 CO 0.47 -1.07 0.57 -1.17 0.02 0.00 0.00 175.30 174.12 3mtn s LEU 487 N 0.17 4.67 -0.32 2.53 2.96 -0.31 -4.83 118.68 123.55 3mtn s LEU 487 Ca 0.15 -0.51 -0.15 0.00 -0.22 0.00 0.00 54.13 53.40 3mtn s LEU 487 Cb -0.23 -2.58 -0.02 0.00 0.50 0.00 0.00 46.19 43.86 3mtn s LEU 487 CO -0.03 -0.72 0.35 -0.44 -1.32 0.00 0.00 176.35 174.20 3mtn s SER 488 N 1.98 6.19 0.00 3.68 0.01 -1.26 -0.72 113.70 123.58 3mtn s SER 488 Ca 0.18 -0.07 0.08 0.00 1.31 0.00 0.00 55.95 57.46 3mtn s SER 488 Cb -0.16 -2.19 0.19 0.00 0.21 0.00 0.00 66.02 64.07 3mtn s SER 488 CO 0.16 -0.27 1.08 0.18 0.41 0.00 0.00 173.24 174.80 3mtn n LEU 489 N 5.35 2.44 -0.08 2.44 4.32 -1.10 -4.72 117.00 125.65 3mtn n LEU 489 Ca -0.09 -1.74 0.26 0.00 -0.02 0.00 0.00 56.01 54.42 3mtn n LEU 489 Cb 0.50 -0.13 0.71 0.00 -1.62 0.00 0.00 43.42 42.88 3mtn n LEU 489 CO 0.39 0.59 1.23 1.23 -1.22 0.00 0.00 177.39 179.61 3mtn h GLY 490 N 1.56 0.00 2.00 -0.72 0.00 -1.86 0.13 103.07 104.18 3mtn h GLY 490 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3mtn h GLY 490 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.54 175.99 3mtn h ASP 491 N 0.00 0.00 -0.41 0.19 3.32 -1.96 -3.09 116.42 114.47 3mtn h ASP 491 Ca 0.34 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.39 3mtn h ASP 491 Cb 1.58 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.13 3mtn h ASP 491 CO -0.00 0.00 0.00 0.49 -1.72 0.00 0.00 179.24 178.01 3mtn n PHE 492 N -2.78 1.50 -3.53 4.55 3.72 0.44 -4.97 117.46 116.40 3mtn n PHE 492 Ca 0.04 -0.81 -0.18 0.00 -0.05 0.00 0.00 57.45 56.45 3mtn n PHE 492 Cb 0.44 -0.41 0.02 0.00 -0.94 0.00 0.00 39.48 38.58 3mtn n PHE 492 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3mtn n ALA 493 N 0.04 0.73 -2.64 4.37 0.00 -1.17 -0.69 120.51 121.16 3mtn n ALA 493 Ca 0.25 -1.62 -0.00 0.00 0.00 0.00 0.00 53.44 52.06 3mtn n ALA 493 Cb 1.04 0.59 0.05 0.00 0.00 0.00 0.00 19.45 21.13 3mtn n ALA 493 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3mtn n SER 494 N -2.09 0.60 -3.48 0.00 3.41 -1.19 -4.79 113.62 106.08 3mtn n SER 494 Ca 0.03 -2.05 -0.29 0.00 -0.26 0.00 0.00 58.87 56.30 3mtn n SER 494 Cb 0.46 -0.14 -0.13 0.00 -0.26 0.00 0.00 64.21 64.15 3mtn n SER 494 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3mtn s SER 499 N -2.57 3.07 0.45 4.04 1.04 -1.26 -5.15 113.70 113.32 3mtn s SER 499 Ca 0.23 -2.01 -0.23 0.00 0.48 0.00 0.00 55.95 54.42 3mtn s SER 499 Cb 0.33 -0.38 -0.08 0.00 0.10 0.00 0.00 66.02 65.99 3mtn s SER 499 CO -0.09 -0.33 1.11 -2.16 0.98 0.00 0.00 173.24 172.75 3mtn s PRO 500 N 1.27 3.87 -0.12 4.02 0.05 -1.26 -4.76 135.00 138.06 3mtn s PRO 500 Ca 0.16 1.63 -0.01 0.00 0.05 0.00 0.00 61.00 62.84 3mtn s PRO 500 Cb -0.22 -2.39 0.03 0.00 0.05 0.00 0.00 34.50 31.98 3mtn s PRO 500 CO -0.06 -0.43 -0.06 0.08 0.05 0.00 0.00 177.00 176.58 3mtn s VAL 501 N -1.65 0.96 0.03 -0.36 1.01 -1.26 -2.73 120.40 116.41 3mtn s VAL 501 Ca 0.63 -0.34 0.04 0.00 0.00 0.00 0.00 61.98 62.31 3mtn s VAL 501 Cb -0.25 -1.05 -0.04 0.00 0.00 0.00 0.00 36.38 35.05 3mtn s VAL 501 CO 0.30 0.28 -0.07 -0.31 0.00 0.00 0.00 175.10 175.30 3mtn s TYR 502 N 1.72 2.86 -0.10 5.22 2.02 0.11 -1.05 117.35 128.13 3mtn s TYR 502 Ca 0.04 -0.06 -0.00 0.00 -0.37 0.00 0.00 57.07 56.67 3mtn s TYR 502 Cb -0.13 -1.57 -0.02 0.00 -0.40 0.00 0.00 41.96 39.83 3mtn s TYR 502 CO -0.08 0.39 -0.09 -1.14 -1.57 0.00 0.00 175.55 173.06 3mtn s GLN 503 N -1.63 3.10 -0.04 -0.62 0.74 0.10 -1.16 119.66 120.15 3mtn s GLN 503 Ca 0.18 -0.60 -0.30 0.00 0.05 0.00 0.00 55.36 54.69 3mtn s GLN 503 Cb -0.11 -2.64 -0.02 0.00 1.10 0.00 0.00 33.01 31.34 3mtn s GLN 503 CO 0.09 0.44 1.01 -1.17 -0.55 0.00 0.00 175.29 175.11 3mtn s LEU 504 N -0.21 4.32 0.00 3.68 2.96 0.31 -0.37 118.68 129.37 3mtn s LEU 504 Ca 0.02 1.63 0.00 0.00 -0.22 0.00 0.00 54.13 55.56 3mtn s LEU 504 Cb -0.13 -3.56 0.00 0.00 0.50 0.00 0.00 46.19 43.00 3mtn s LEU 504 CO 0.03 -0.36 0.00 0.00 -1.32 0.00 0.00 176.35 174.70 3mtn n TYR 505 N 4.41 0.00 -3.62 5.38 4.11 -0.32 -4.87 117.16 122.25 3mtn n TYR 505 Ca 0.08 0.00 -0.14 0.00 -0.00 0.00 0.00 57.90 57.83 3mtn n TYR 505 Cb 0.50 0.00 -0.06 0.00 -0.00 0.00 0.00 39.34 39.77 3mtn n TYR 505 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 3mtn s ALA 506 N -2.00 -1.23 -0.01 -3.48 0.00 -1.16 0.14 121.76 114.03 3mtn s ALA 506 Ca 0.00 0.61 0.03 0.00 0.00 0.00 0.00 51.96 52.60 3mtn s ALA 506 Cb 0.00 0.24 -0.01 0.00 0.00 0.00 0.00 23.12 23.35 3mtn s ALA 506 CO 0.00 -0.42 -0.10 -0.51 0.00 0.00 0.00 175.76 174.74 3mtn s LEU 507 N -1.70 2.02 -0.23 0.00 1.43 0.02 -0.41 118.68 119.81 3mtn s LEU 507 Ca -0.08 -0.18 -0.09 0.00 -1.03 0.00 0.00 54.13 52.74 3mtn s LEU 507 Cb -0.01 -0.50 -0.05 0.00 0.03 0.00 0.00 46.19 45.66 3mtn s LEU 507 CO 0.02 0.12 0.13 0.00 0.23 0.00 0.00 176.35 176.84 3mtn s ASN 509 N 1.00 4.47 0.03 0.00 3.04 -0.03 -1.47 114.94 121.98 3mtn s ASN 509 Ca 0.06 -0.18 0.06 0.00 0.04 0.00 0.00 52.86 52.85 3mtn s ASN 509 Cb -0.14 -1.00 -0.02 0.00 -1.54 0.00 0.00 41.25 38.55 3mtn s ASN 509 CO 0.04 0.29 -0.19 -2.28 -3.04 0.00 0.00 177.10 171.92 3mtn s HIS 510 N -0.96 1.63 -0.04 0.43 5.65 -1.26 -2.33 115.29 118.42 3mtn s HIS 510 Ca 0.16 -0.36 -0.00 0.00 0.25 0.00 0.00 55.06 55.11 3mtn s HIS 510 Cb -0.11 -0.98 0.03 0.00 -1.18 0.00 0.00 32.58 30.34 3mtn s HIS 510 CO 0.06 0.06 0.01 0.45 -0.65 0.00 0.00 174.74 174.67 3mtn s SER 511 N -1.06 0.68 0.00 9.88 0.15 -0.20 -4.91 113.70 118.24 3mtn s SER 511 Ca 0.06 -0.02 0.00 0.00 0.70 0.00 0.00 55.95 56.69 3mtn s SER 511 Cb -0.08 -0.24 0.00 0.00 -1.71 0.00 0.00 66.02 63.99 3mtn s SER 511 CO 0.01 -0.13 0.00 0.61 1.20 0.00 0.00 173.24 174.93 3mtn n GLY 512 N 4.42 0.05 0.00 9.45 0.00 -1.26 -0.03 105.19 117.83 3mtn n GLY 512 Ca -0.21 -1.81 0.00 0.00 0.00 0.00 0.00 46.02 44.00 3mtn n GLY 512 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3mtn n SER 513 N 0.00 0.32 0.19 1.61 3.41 -0.31 -5.00 113.62 113.84 3mtn n SER 513 Ca 0.00 0.00 0.09 0.00 -0.26 0.00 0.00 58.87 58.70 3mtn n SER 513 Cb 0.00 0.00 0.13 0.00 -0.26 0.00 0.00 64.21 64.08 3mtn n SER 513 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 3mtn h VAL 514 N 0.00 0.29 0.00 -3.33 2.07 -1.95 -3.32 116.25 110.01 3mtn h VAL 514 Ca 0.00 -1.40 -0.12 0.00 0.82 0.00 0.00 66.70 66.00 3mtn h VAL 514 Cb 0.00 2.14 -0.02 0.00 -1.52 0.00 0.00 31.29 31.88 3mtn h VAL 514 CO 0.00 0.17 -1.95 1.41 0.02 0.00 0.00 177.57 177.21 3mtn n HIS 515 N -3.14 0.00 -3.95 1.57 8.25 -1.26 -5.05 115.22 111.64 3mtn n HIS 515 Ca 0.03 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.41 3mtn n HIS 515 Cb 0.60 -0.58 -0.04 0.00 1.12 0.00 0.00 29.99 31.09 3mtn n HIS 515 CO 0.00 0.00 0.00 1.52 0.64 0.00 0.00 176.34 178.50 3mtn s TYR 516 N -2.93 0.16 -5.00 4.41 -0.85 -1.25 -4.94 117.35 106.96 3mtn s TYR 516 Ca -0.07 -0.56 0.00 0.00 -0.52 0.00 0.00 57.07 55.92 3mtn s TYR 516 Cb 0.09 0.39 0.00 0.00 0.38 0.00 0.00 41.96 42.82 3mtn s TYR 516 CO 0.73 -1.10 0.00 0.41 -1.52 0.00 0.00 175.55 174.07 3mtn n GLY 517 N -0.42 0.84 3.18 5.49 0.00 -1.26 -1.17 105.19 111.86 3mtn n GLY 517 Ca -0.03 -1.85 -0.23 0.00 0.00 0.00 0.00 46.02 43.91 3mtn n GLY 517 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3mtn s HIS 518 N -2.28 1.49 -0.05 1.61 2.46 0.96 -4.93 115.29 114.54 3mtn s HIS 518 Ca 0.00 -0.34 -0.02 0.00 0.47 0.00 0.00 55.06 55.18 3mtn s HIS 518 Cb 0.00 -0.90 -0.04 0.00 -0.13 0.00 0.00 32.58 31.51 3mtn s HIS 518 CO 0.00 0.04 0.05 0.71 -2.47 0.00 0.00 174.74 173.07 3mtn s TYR 519 N -0.70 3.27 0.21 3.88 2.02 -1.26 -1.04 117.35 123.74 3mtn s TYR 519 Ca 0.05 0.24 0.03 0.00 -0.37 0.00 0.00 57.07 57.02 3mtn s TYR 519 Cb -0.08 -1.78 -0.05 0.00 -0.40 0.00 0.00 41.96 39.65 3mtn s TYR 519 CO 0.01 0.54 0.00 0.95 -1.57 0.00 0.00 175.55 175.48 3mtn s THR 520 N -1.05 0.89 0.04 -0.71 -4.23 -0.98 -4.81 115.64 104.79 3mtn s THR 520 Ca 0.18 -2.02 0.07 0.00 -1.18 0.00 0.00 61.69 58.75 3mtn s THR 520 Cb -0.12 -2.27 -0.02 0.00 1.34 0.00 0.00 72.50 71.43 3mtn s THR 520 CO 0.08 -0.37 -0.21 0.00 -0.54 0.00 0.00 174.62 173.58 3mtn s ALA 521 N -3.52 1.81 -0.18 3.99 0.00 -0.82 -0.86 121.76 122.20 3mtn s ALA 521 Ca 0.27 -1.07 0.01 0.00 0.00 0.00 0.00 51.96 51.17 3mtn s ALA 521 Cb 0.06 -0.37 0.01 0.00 0.00 0.00 0.00 23.12 22.82 3mtn s ALA 521 CO 0.07 0.41 -0.18 -0.51 0.00 0.00 0.00 175.76 175.56 3mtn s LEU 522 N -1.11 2.25 -0.03 0.00 1.43 -0.93 -0.29 118.68 120.00 3mtn s LEU 522 Ca 0.08 -0.59 0.05 0.00 -1.03 0.00 0.00 54.13 52.63 3mtn s LEU 522 Cb -0.09 -1.51 -0.01 0.00 0.03 0.00 0.00 46.19 44.61 3mtn s LEU 522 CO 0.02 0.02 -0.17 0.00 0.23 0.00 0.00 176.35 176.45 3mtn s ARG 524 N -0.17 4.57 0.32 0.00 6.06 0.12 -1.37 118.95 128.48 3mtn s ARG 524 Ca 0.01 1.28 0.03 0.00 -2.50 0.00 0.00 55.73 54.55 3mtn s ARG 524 Cb -0.09 -3.42 -0.04 0.00 0.06 0.00 0.00 34.95 31.47 3mtn s ARG 524 CO 0.01 0.11 0.16 0.00 -2.50 0.00 0.00 175.30 173.07 3mtn n GLN 526 N -0.63 0.07 -0.05 0.00 1.13 -1.26 -0.18 117.38 116.46 3mtn n GLN 526 Ca 0.00 0.53 0.02 0.00 -1.94 0.00 0.00 57.00 55.61 3mtn n GLN 526 Cb 0.65 -1.86 0.04 0.00 0.11 0.00 0.00 30.24 29.18 3mtn n GLN 526 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 3mtn n THR 527 N -1.87 0.80 0.00 5.09 -2.24 -1.26 -5.10 114.28 109.70 3mtn n THR 527 Ca -0.01 -0.90 0.00 0.00 -2.27 0.00 0.00 64.05 60.87 3mtn n THR 527 Cb 0.14 0.61 0.00 0.00 -2.10 0.00 0.00 70.33 68.98 3mtn n THR 527 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3mtn n GLY 528 N -0.10 0.32 3.66 3.38 0.00 0.75 -5.09 105.19 108.11 3mtn n GLY 528 Ca 0.03 -1.95 -0.27 0.00 0.00 0.00 0.00 46.02 43.84 3mtn n GLY 528 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3mtn s TRP 529 N -0.75 2.84 0.03 1.61 0.52 -1.26 0.12 118.94 122.05 3mtn s TRP 529 Ca 0.00 -0.14 0.03 0.00 0.02 0.00 0.00 56.10 56.01 3mtn s TRP 529 Cb 0.00 -1.38 -0.02 0.00 -1.15 0.00 0.00 33.47 30.92 3mtn s TRP 529 CO 0.00 0.51 -0.09 -1.01 0.02 0.00 0.00 176.95 176.38 3mtn s HIS 530 N -1.69 0.78 -0.05 -1.98 3.76 -0.47 -3.14 115.29 112.49 3mtn s HIS 530 Ca 0.27 -0.36 -0.21 0.00 -0.15 0.00 0.00 55.06 54.61 3mtn s HIS 530 Cb -0.09 -0.47 -0.05 0.00 1.11 0.00 0.00 32.58 33.08 3mtn s HIS 530 CO 0.18 -0.03 0.59 0.08 -0.85 0.00 0.00 174.74 174.71 3mtn s VAL 531 N -0.94 5.02 -0.39 -0.90 1.01 0.41 -1.64 120.40 122.97 3mtn s VAL 531 Ca -0.04 1.21 -0.04 0.00 0.00 0.00 0.00 61.98 63.12 3mtn s VAL 531 Cb -0.08 -3.93 0.09 0.00 0.00 0.00 0.00 36.38 32.47 3mtn s VAL 531 CO 0.01 0.35 0.17 -0.31 0.00 0.00 0.00 175.10 175.32 3mtn s TYR 532 N 0.26 3.47 0.00 5.22 1.51 0.60 -2.09 117.35 126.32 3mtn s TYR 532 Ca 0.31 -2.13 0.00 0.00 -1.01 0.00 0.00 57.07 54.24 3mtn s TYR 532 Cb -0.17 -2.94 0.00 0.00 -0.11 0.00 0.00 41.96 38.73 3mtn s TYR 532 CO 0.16 -0.91 0.03 -1.71 -1.11 0.00 0.00 175.55 172.00 3mtn n ASN 533 N 4.66 0.00 0.00 2.29 2.85 -0.36 -1.95 115.26 122.76 3mtn n ASN 533 Ca -0.06 0.03 0.00 0.00 -0.11 0.00 0.00 54.58 54.44 3mtn n ASN 533 Cb 0.42 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.44 3mtn n ASN 533 CO 0.00 0.00 0.00 0.47 -2.11 0.00 0.00 177.26 175.62 3mtn n ASP 534 N -0.45 0.00 -0.01 1.20 8.00 -1.26 -4.67 116.55 119.37 3mtn n ASP 534 Ca 0.00 0.00 0.13 0.00 0.71 0.00 0.00 54.79 55.63 3mtn n ASP 534 Cb 0.00 0.00 0.42 0.00 -0.02 0.00 0.00 41.12 41.52 3mtn n ASP 534 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3mtn n SER 535 N -1.39 0.30 -4.68 -2.24 3.41 -1.06 0.27 113.62 108.24 3mtn n SER 535 Ca 0.00 0.04 -0.37 0.00 -0.26 0.00 0.00 58.87 58.29 3mtn n SER 535 Cb 0.00 -0.07 -0.09 0.00 -0.26 0.00 0.00 64.21 63.79 3mtn n SER 535 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 3mtn s ARG 536 N -2.98 4.12 -0.11 4.33 6.06 -1.26 -4.42 118.95 124.69 3mtn s ARG 536 Ca 0.13 -0.13 0.02 0.00 -2.50 0.00 0.00 55.73 53.25 3mtn s ARG 536 Cb 0.18 -3.52 -0.01 0.00 0.06 0.00 0.00 34.95 31.67 3mtn s ARG 536 CO 0.62 0.08 -0.19 0.08 -2.50 0.00 0.00 175.30 173.39 3mtn s VAL 537 N 0.99 2.51 0.01 7.11 1.01 -1.26 -1.22 120.40 129.54 3mtn s VAL 537 Ca 0.11 -0.86 -0.05 0.00 0.00 0.00 0.00 61.98 61.19 3mtn s VAL 537 Cb -0.13 -2.01 -0.01 0.00 0.00 0.00 0.00 36.38 34.23 3mtn s VAL 537 CO 0.04 0.54 0.07 -0.94 0.00 0.00 0.00 175.10 174.82 3mtn s SER 538 N 0.33 0.11 0.61 3.32 1.04 -0.89 -5.00 113.70 113.22 3mtn s SER 538 Ca -0.15 -0.32 -0.18 0.00 0.48 0.00 0.00 55.95 55.77 3mtn s SER 538 Cb -0.17 0.16 -0.03 0.00 0.10 0.00 0.00 66.02 66.09 3mtn s SER 538 CO 0.07 -0.35 1.20 -2.84 0.98 0.00 0.00 173.24 172.31 3mtn s PRO 539 N -1.42 2.91 -0.08 4.02 0.02 -1.26 -0.45 135.00 138.74 3mtn s PRO 539 Ca -0.15 1.80 -0.14 0.00 0.02 0.00 0.00 61.00 62.53 3mtn s PRO 539 Cb -0.09 -1.92 0.03 0.00 0.02 0.00 0.00 34.50 32.54 3mtn s PRO 539 CO 0.01 -1.25 0.35 0.54 -0.33 0.00 0.00 177.00 176.31 3mtn s VAL 540 N -1.65 0.03 0.48 3.83 0.11 -1.19 -4.75 120.40 117.26 3mtn s VAL 540 Ca 0.77 -0.21 -0.16 0.00 -2.93 0.00 0.00 61.98 59.45 3mtn s VAL 540 Cb -0.30 -0.57 -0.08 0.00 -1.53 0.00 0.00 36.38 33.90 3mtn s VAL 540 CO 0.34 -0.12 0.93 -0.94 -3.33 0.00 0.00 175.10 171.98 3mtn s SER 541 N -0.52 6.64 0.25 3.54 1.04 -1.26 -4.26 113.70 119.12 3mtn s SER 541 Ca -0.06 1.48 -0.13 0.00 0.48 0.00 0.00 55.95 57.72 3mtn s SER 541 Cb -0.04 -2.47 0.34 0.00 0.10 0.00 0.00 66.02 63.95 3mtn s SER 541 CO 0.02 -0.51 1.57 -0.08 0.98 0.00 0.00 173.24 175.22 3mtn h GLU 542 N 1.14 -0.02 -0.81 4.02 4.81 -1.99 -0.53 114.58 121.21 3mtn h GLU 542 Ca -0.47 0.00 0.09 0.00 -0.13 0.00 0.00 59.36 58.85 3mtn h GLU 542 Cb 1.18 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 30.50 3mtn h GLU 542 CO 0.62 -0.01 0.46 -0.97 -0.73 0.00 0.00 179.01 178.38 3mtn h ASN 543 N -0.02 0.67 -0.24 1.04 -0.73 -1.99 -0.13 115.58 114.19 3mtn h ASN 543 Ca 0.40 0.04 -0.05 0.00 1.87 0.00 0.00 56.30 58.56 3mtn h ASN 543 Cb 0.64 -0.09 -0.01 0.00 0.27 0.00 0.00 38.32 39.14 3mtn h ASN 543 CO -0.94 0.39 -0.05 1.56 -0.37 0.00 0.00 177.43 178.03 3mtn h GLN 544 N 0.79 0.45 -0.17 6.67 4.20 -1.51 -2.91 115.11 122.65 3mtn h GLN 544 Ca 0.38 -0.17 0.03 0.00 0.06 0.00 0.00 58.65 58.96 3mtn h GLN 544 Cb 0.32 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.04 3mtn h GLN 544 CO -0.23 0.67 -0.04 0.28 -0.67 0.00 0.00 178.83 178.84 3mtn h VAL 545 N 0.20 0.84 -0.33 -0.54 2.07 -0.90 -2.54 116.25 115.04 3mtn h VAL 545 Ca 0.06 -0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.60 3mtn h VAL 545 Cb 0.50 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 3mtn h VAL 545 CO 0.02 0.00 0.22 0.00 0.02 0.00 0.00 177.57 177.83 3mtn h ALA 546 N 1.17 1.83 -0.53 1.67 0.00 -0.98 -2.29 119.26 120.13 3mtn h ALA 546 Ca 0.08 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3mtn h ALA 546 Cb 0.12 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3mtn h ALA 546 CO -0.17 0.14 0.00 -1.13 0.00 0.00 0.00 179.25 178.09 3mtn n SER 547 N -4.49 4.04 -4.75 0.00 3.41 -1.10 -4.58 113.62 106.14 3mtn n SER 547 Ca 0.02 -2.35 -0.32 0.00 -0.26 0.00 0.00 58.87 55.97 3mtn n SER 547 Cb 0.11 -0.47 0.09 0.00 -0.26 0.00 0.00 64.21 63.68 3mtn n SER 547 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 3mtn s SER 548 N -1.10 4.49 -0.23 4.04 0.01 -0.86 -4.97 113.70 115.08 3mtn s SER 548 Ca 0.42 1.96 -0.29 0.00 1.31 0.00 0.00 55.95 59.36 3mtn s SER 548 Cb 0.27 -2.54 -0.00 0.00 0.21 0.00 0.00 66.02 63.95 3mtn s SER 548 CO 0.21 -2.04 1.21 -0.70 0.41 0.00 0.00 173.24 172.32 3mtn s GLU 549 N -4.53 4.14 0.07 12.44 2.12 -1.26 -4.92 118.70 126.76 3mtn s GLU 549 Ca 0.65 1.43 -0.27 0.00 0.36 0.00 0.00 54.97 57.14 3mtn s GLU 549 Cb -0.20 -3.76 -0.06 0.00 0.26 0.00 0.00 34.13 30.37 3mtn s GLU 549 CO 0.51 -0.81 0.84 0.20 -0.54 0.00 0.00 175.26 175.45 3mtn s GLY 550 N 1.98 2.88 -0.04 -1.50 0.00 -1.26 -4.31 107.32 105.06 3mtn s GLY 550 Ca 0.52 0.40 -0.06 0.00 0.00 0.00 0.00 44.72 45.58 3mtn s GLY 550 CO 0.15 1.23 -0.11 2.98 0.00 0.00 0.00 173.10 177.34 3mtn n TYR 551 N 2.76 0.00 -4.10 1.90 9.36 -0.54 -4.75 117.16 121.79 3mtn n TYR 551 Ca -0.01 0.00 -0.34 0.00 3.32 0.00 0.00 57.90 60.87 3mtn n TYR 551 Cb 0.50 -0.16 -0.14 0.00 -0.63 0.00 0.00 39.34 38.91 3mtn n TYR 551 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 3mtn s VAL 552 N -1.78 3.30 -0.16 2.97 1.01 -0.88 -0.27 120.40 124.58 3mtn s VAL 552 Ca -0.09 -0.53 -0.03 0.00 0.00 0.00 0.00 61.98 61.32 3mtn s VAL 552 Cb 0.01 -2.47 -0.02 0.00 0.00 0.00 0.00 36.38 33.90 3mtn s VAL 552 CO 0.14 0.45 -0.05 -0.76 0.00 0.00 0.00 175.10 174.88 3mtn s LEU 553 N 1.20 3.13 -0.39 3.92 1.43 0.56 0.58 118.68 129.11 3mtn s LEU 553 Ca 0.02 -0.19 -0.10 0.00 -1.03 0.00 0.00 54.13 52.83 3mtn s LEU 553 Cb -0.14 -1.76 0.05 0.00 0.03 0.00 0.00 46.19 44.36 3mtn s LEU 553 CO -0.02 0.14 0.22 -0.36 0.23 0.00 0.00 176.35 176.56 3mtn s PHE 554 N 0.55 3.27 0.12 0.29 0.40 0.45 -0.17 117.98 122.89 3mtn s PHE 554 Ca -0.04 -1.17 0.05 0.00 -0.60 0.00 0.00 56.93 55.17 3mtn s PHE 554 Cb -0.15 -2.60 -0.04 0.00 0.51 0.00 0.00 43.02 40.75 3mtn s PHE 554 CO 0.03 -0.72 0.05 0.71 0.70 0.00 0.00 175.22 175.98 3mtn s TYR 555 N 1.50 3.05 0.03 0.36 2.02 0.93 -1.17 117.35 124.07 3mtn s TYR 555 Ca 0.02 -0.02 0.06 0.00 -0.37 0.00 0.00 57.07 56.76 3mtn s TYR 555 Cb -0.21 -1.53 -0.02 0.00 -0.40 0.00 0.00 41.96 39.81 3mtn s TYR 555 CO 0.05 0.50 -0.17 1.14 -1.57 0.00 0.00 175.55 175.51 3mtn s GLN 556 N -2.60 1.14 0.24 -0.62 -2.07 0.51 -0.41 119.66 115.85 3mtn s GLN 556 Ca 0.28 -0.78 -0.30 0.00 -1.82 0.00 0.00 55.36 52.74 3mtn s GLN 556 Cb -0.11 -1.18 -0.09 0.00 -1.09 0.00 0.00 33.01 30.54 3mtn s GLN 556 CO 0.20 0.30 1.17 -0.51 -1.32 0.00 0.00 175.29 175.13 3mtn s LEU 557 N -1.02 4.49 0.00 2.60 1.43 -0.80 0.03 118.68 125.41 3mtn s LEU 557 Ca 0.04 2.30 0.09 0.00 -1.03 0.00 0.00 54.13 55.54 3mtn s LEU 557 Cb -0.08 -3.62 0.07 0.00 0.03 0.00 0.00 46.19 42.60 3mtn s LEU 557 CO 0.01 -0.29 0.80 0.23 0.23 0.00 0.00 176.35 177.33