#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p3a s LEU 222 N 0.00 4.10 -0.01 7.52 1.43 -1.26 -5.01 118.68 125.45 1p3a s LEU 222 Ca 0.00 1.19 -0.12 0.00 -1.03 0.00 0.00 54.13 54.17 1p3a s LEU 222 Cb 0.00 -3.33 0.02 0.00 0.03 0.00 0.00 46.19 42.91 1p3a s LEU 222 CO 0.00 -0.56 0.25 0.00 0.23 0.00 0.00 176.35 176.27 1p3a s ARG 223 N 2.87 0.59 -1.84 1.70 1.70 -1.26 -4.90 118.95 117.81 1p3a s ARG 223 Ca 0.39 -0.23 0.00 0.00 -0.47 0.00 0.00 55.73 55.41 1p3a s ARG 223 Cb -0.15 0.26 0.00 0.00 -0.57 0.00 0.00 34.95 34.48 1p3a s ARG 223 CO 0.08 -0.15 0.00 -3.47 -1.08 0.00 0.00 175.30 170.67 1p3a n ASP 224 N 1.42 -4.75 0.00 -2.89 2.03 -1.26 -4.86 116.55 106.24 1p3a n ASP 224 Ca -0.22 0.39 0.01 0.00 0.52 0.00 0.00 54.79 55.50 1p3a n ASP 224 Cb 0.56 -4.23 0.09 0.00 -0.72 0.00 0.00 41.12 36.82 1p3a n ASP 224 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1p3a n ASN 225 N -1.15 0.00 0.21 1.67 3.02 -1.26 -1.95 115.26 115.81 1p3a n ASN 225 Ca -0.18 -0.16 0.10 0.00 -0.03 0.00 0.00 54.58 54.31 1p3a n ASN 225 Cb 0.59 0.00 0.30 0.00 -0.61 0.00 0.00 39.78 40.07 1p3a n ASN 225 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 1p3a h ILE 226 N 0.00 0.37 0.00 2.41 6.09 -1.99 -2.28 117.51 122.11 1p3a h ILE 226 Ca 0.00 -1.26 0.00 0.00 -1.37 0.00 0.00 64.86 62.23 1p3a h ILE 226 Cb 0.00 1.96 0.00 0.00 0.47 0.00 0.00 36.82 39.25 1p3a h ILE 226 CO 0.00 0.18 0.00 0.00 -3.07 0.00 0.00 178.15 175.26 1p3a n GLN 227 N -3.21 0.84 -0.02 2.19 1.13 -0.82 -2.99 117.38 114.50 1p3a n GLN 227 Ca 0.02 0.00 0.09 0.00 -1.94 0.00 0.00 57.00 55.17 1p3a n GLN 227 Cb 0.52 -1.50 0.50 0.00 0.11 0.00 0.00 30.24 29.86 1p3a n GLN 227 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1p3a n GLY 228 N 0.75 -0.76 3.08 1.08 0.00 -0.86 -4.13 105.19 104.37 1p3a n GLY 228 Ca 0.20 -0.17 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 1p3a n GLY 228 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1p3a s ILE 229 N -1.96 3.55 0.57 -0.61 -1.09 -1.16 -5.07 121.20 115.43 1p3a s ILE 229 Ca 0.28 -2.88 -0.20 0.00 -2.23 0.00 0.00 60.65 55.61 1p3a s ILE 229 Cb 0.13 -3.34 -0.04 0.00 -1.58 0.00 0.00 42.46 37.62 1p3a s ILE 229 CO 0.21 -0.85 1.22 0.42 -1.23 0.00 0.00 174.94 174.72 1p3a s THR 230 N 0.06 2.64 0.26 2.92 -4.23 -1.26 -4.85 115.64 111.19 1p3a s THR 230 Ca 0.16 0.42 -0.06 0.00 -1.18 0.00 0.00 61.69 61.03 1p3a s THR 230 Cb -0.21 -3.18 0.31 0.00 1.34 0.00 0.00 72.50 70.75 1p3a s THR 230 CO -0.03 -0.07 1.62 0.50 -0.54 0.00 0.00 174.62 176.10 1p3a h LYS 231 N 1.14 0.08 -0.38 3.99 3.64 -1.97 -0.35 116.57 122.71 1p3a h LYS 231 Ca -0.50 -0.01 0.08 0.00 -1.27 0.00 0.00 60.65 58.95 1p3a h LYS 231 Cb 1.29 -0.02 -0.08 0.00 -0.41 0.00 0.00 32.23 33.01 1p3a h LYS 231 CO 0.56 0.06 -0.13 -1.35 -2.27 0.00 0.00 179.45 176.32 1p3a h PRO 232 N 0.09 -0.05 -0.51 1.90 0.11 -1.99 0.13 132.00 131.68 1p3a h PRO 232 Ca 0.44 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.52 1p3a h PRO 232 Cb 0.80 0.01 -0.02 0.00 0.11 0.00 0.00 31.00 31.90 1p3a h PRO 232 CO -0.72 -0.03 0.17 0.00 -0.21 0.00 0.00 178.00 177.21 1p3a h ALA 233 N 1.29 1.34 0.00 -0.75 0.00 -1.45 -0.97 119.26 118.72 1p3a h ALA 233 Ca 0.19 -0.16 -0.12 0.00 0.00 0.00 0.00 54.91 54.82 1p3a h ALA 233 Cb 0.33 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1p3a h ALA 233 CO -0.42 0.48 -0.57 0.82 0.00 0.00 0.00 179.25 179.56 1p3a h ILE 234 N 0.74 1.26 -0.23 0.00 2.04 -0.76 -2.41 117.51 118.15 1p3a h ILE 234 Ca 0.17 -2.06 -0.12 0.00 1.00 0.00 0.00 64.86 63.85 1p3a h ILE 234 Cb 0.20 2.16 -0.00 0.00 -0.74 0.00 0.00 36.82 38.44 1p3a h ILE 234 CO -0.01 0.56 -0.31 -0.09 0.00 0.00 0.00 178.15 178.30 1p3a h ARG 235 N 0.00 0.62 -0.64 2.37 2.43 -0.01 -2.94 114.38 116.21 1p3a h ARG 235 Ca -0.01 -0.36 -0.03 0.00 -0.81 0.00 0.00 59.98 58.78 1p3a h ARG 235 Cb 1.11 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.66 1p3a h ARG 235 CO 0.07 0.97 0.29 0.00 -1.51 0.00 0.00 179.97 179.79 1p3a h ARG 236 N 0.32 0.91 -0.01 0.20 3.08 -1.14 -2.07 114.38 115.68 1p3a h ARG 236 Ca 0.03 -0.13 -0.08 0.00 0.07 0.00 0.00 59.98 59.87 1p3a h ARG 236 Cb 0.89 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.76 1p3a h ARG 236 CO 0.07 0.72 -0.37 -0.07 -1.07 0.00 0.00 179.97 179.25 1p3a h LEU 237 N 0.91 0.03 -0.03 3.04 3.38 -1.40 -2.69 115.31 118.55 1p3a h LEU 237 Ca 0.22 -0.01 -0.24 0.00 0.09 0.00 0.00 57.88 57.95 1p3a h LEU 237 Cb 0.12 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1p3a h LEU 237 CO -0.03 0.40 -1.07 0.00 0.09 0.00 0.00 178.44 177.83 1p3a h ALA 238 N 1.60 0.28 -0.33 1.53 0.00 -1.29 -1.99 119.26 119.06 1p3a h ALA 238 Ca -0.00 -0.84 -0.01 0.00 0.00 0.00 0.00 54.91 54.07 1p3a h ALA 238 Cb 0.67 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1p3a h ALA 238 CO 0.05 1.01 0.17 0.00 0.00 0.00 0.00 179.25 180.48 1p3a h ARG 239 N 0.08 0.47 -1.00 0.00 2.47 -1.07 0.41 114.38 115.73 1p3a h ARG 239 Ca -0.08 -0.06 0.02 0.00 -1.26 0.00 0.00 59.98 58.60 1p3a h ARG 239 Cb 1.78 -0.09 -0.05 0.00 -1.65 0.00 0.00 29.97 29.95 1p3a h ARG 239 CO 0.17 0.41 0.66 -0.09 0.56 0.00 0.00 179.97 181.68 1p3a h ARG 240 N 0.41 1.29 0.00 0.04 2.43 -1.50 0.65 114.38 117.70 1p3a h ARG 240 Ca 0.12 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 1p3a h ARG 240 Cb 0.08 -0.29 0.00 0.00 -0.42 0.00 0.00 29.97 29.34 1p3a h ARG 240 CO -0.02 0.85 0.00 0.41 -1.51 0.00 0.00 179.97 179.70 1p3a n GLY 241 N -1.38 -0.48 2.23 2.80 0.00 -0.45 -4.81 105.19 103.10 1p3a n GLY 241 Ca 0.13 -0.08 -0.08 0.00 0.00 0.00 0.00 46.02 45.99 1p3a n GLY 241 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p3a n GLY 242 N -0.03 0.93 3.66 -0.02 0.00 0.23 -5.01 105.19 104.95 1p3a n GLY 242 Ca 0.09 -0.66 -0.41 0.00 0.00 0.00 0.00 46.02 45.04 1p3a n GLY 242 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1p3a s VAL 243 N -2.31 4.93 -0.12 1.61 1.01 0.13 -4.98 120.40 120.68 1p3a s VAL 243 Ca 0.00 1.43 -0.11 0.00 0.00 0.00 0.00 61.98 63.31 1p3a s VAL 243 Cb 0.00 -4.05 -0.09 0.00 0.00 0.00 0.00 36.38 32.23 1p3a s VAL 243 CO 0.00 0.05 0.27 0.50 0.00 0.00 0.00 175.10 175.92 1p3a h LYS 244 N 7.45 0.00 -5.41 2.72 3.64 -1.94 -3.37 116.57 119.66 1p3a h LYS 244 Ca -0.29 0.00 -0.66 0.00 -1.27 0.00 0.00 60.65 58.43 1p3a h LYS 244 Cb 1.13 0.00 -0.27 0.00 -0.41 0.00 0.00 32.23 32.68 1p3a h LYS 244 CO 0.81 0.36 -0.78 0.50 -2.27 0.00 0.00 179.45 178.08 1p3a s ARG 245 N -1.80 3.27 -0.03 1.90 3.52 -1.26 -5.08 118.95 119.48 1p3a s ARG 245 Ca -0.07 -0.71 0.06 0.00 -0.13 0.00 0.00 55.73 54.88 1p3a s ARG 245 Cb -0.01 -2.57 -0.02 0.00 -1.56 0.00 0.00 34.95 30.78 1p3a s ARG 245 CO 0.25 0.25 -0.19 0.42 -0.81 0.00 0.00 175.30 175.22 1p3a s ILE 246 N 0.26 2.68 0.34 4.11 1.01 -1.26 -5.14 121.20 123.20 1p3a s ILE 246 Ca -0.10 -0.92 -0.14 0.00 0.00 0.00 0.00 60.65 59.49 1p3a s ILE 246 Cb -0.16 -2.03 -0.08 0.00 0.01 0.00 0.00 42.46 40.21 1p3a s ILE 246 CO 0.06 0.55 0.74 -0.55 0.00 0.00 0.00 174.94 175.73 1p3a s SER 247 N -0.79 6.70 0.58 3.58 0.15 -1.26 -4.98 113.70 117.68 1p3a s SER 247 Ca 0.11 1.23 0.27 0.00 0.70 0.00 0.00 55.95 58.26 1p3a s SER 247 Cb -0.10 -2.35 1.67 0.00 -1.71 0.00 0.00 66.02 63.52 1p3a s SER 247 CO 0.01 -0.25 2.18 1.23 1.20 0.00 0.00 173.24 177.60 1p3a h GLY 248 N 2.02 0.00 2.00 9.45 0.00 -2.05 -0.95 103.07 113.54 1p3a h GLY 248 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.85 1p3a h GLY 248 CO 0.65 0.00 0.00 1.41 0.00 0.00 0.00 176.54 178.60 1p3a h LEU 249 N 0.00 0.00 -0.73 3.11 3.38 -2.03 -3.30 115.31 115.74 1p3a h LEU 249 Ca 0.04 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 1p3a h LEU 249 Cb 0.21 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 1p3a h LEU 249 CO -0.00 0.00 0.39 0.40 0.09 0.00 0.00 178.44 179.32 1p3a h ILE 250 N 0.00 1.23 -0.82 1.22 1.08 -1.56 -2.76 117.51 115.90 1p3a h ILE 250 Ca 0.00 -0.60 0.04 0.00 -0.39 0.00 0.00 64.86 63.91 1p3a h ILE 250 Cb 0.78 0.28 -0.05 0.00 -3.07 0.00 0.00 36.82 34.76 1p3a h ILE 250 CO 0.00 0.26 0.53 1.88 -0.69 0.00 0.00 178.15 180.12 1p3a h TYR 251 N 1.02 0.98 -0.08 1.37 -1.99 -1.73 -1.12 116.97 115.42 1p3a h TYR 251 Ca 0.26 0.03 -0.18 0.00 2.00 0.00 0.00 58.73 60.83 1p3a h TYR 251 Cb 0.06 -0.32 -0.01 0.00 2.00 0.00 0.00 36.73 38.46 1p3a h TYR 251 CO 0.00 0.56 -0.71 0.93 -0.00 0.00 0.00 178.16 178.94 1p3a h GLU 252 N 1.02 0.38 -0.07 4.88 4.39 -1.78 -2.51 114.58 120.89 1p3a h GLU 252 Ca 0.33 -0.30 -0.05 0.00 0.34 0.00 0.00 59.36 59.68 1p3a h GLU 252 Cb 0.03 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.73 1p3a h GLU 252 CO -0.12 0.94 -0.20 1.49 -1.16 0.00 0.00 179.01 179.96 1p3a h GLU 253 N 0.26 0.11 -0.02 2.33 4.57 -1.12 -2.60 114.58 118.10 1p3a h GLU 253 Ca -0.03 -0.03 -0.24 0.00 -1.18 0.00 0.00 59.36 57.89 1p3a h GLU 253 Cb 1.28 -0.01 0.01 0.00 -0.16 0.00 0.00 28.75 29.86 1p3a h GLU 253 CO 0.12 0.31 -0.94 1.15 -1.18 0.00 0.00 179.01 178.47 1p3a h THR 254 N 0.10 1.34 -0.73 0.32 2.02 -1.06 -2.02 112.91 112.88 1p3a h THR 254 Ca 0.02 -2.30 -0.03 0.00 0.77 0.00 0.00 66.41 64.87 1p3a h THR 254 Cb 0.42 2.33 -0.03 0.00 -1.74 0.00 0.00 68.15 69.12 1p3a h THR 254 CO 0.03 0.70 0.34 0.03 0.37 0.00 0.00 175.52 176.99 1p3a h ARG 255 N 0.33 1.06 0.10 6.66 3.08 -1.25 0.12 114.38 124.48 1p3a h ARG 255 Ca -0.09 -0.17 0.01 0.00 0.07 0.00 0.00 59.98 59.80 1p3a h ARG 255 Cb 1.58 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 31.43 1p3a h ARG 255 CO 0.18 0.84 -0.13 0.78 -1.07 0.00 0.00 179.97 180.57 1p3a h GLY 256 N 1.03 -0.23 0.90 0.04 0.00 -1.35 0.39 103.07 103.85 1p3a h GLY 256 Ca 0.25 0.14 0.03 0.00 0.00 0.00 0.00 47.33 47.75 1p3a h GLY 256 CO -0.03 -0.13 0.65 -2.08 0.00 0.00 0.00 176.54 174.95 1p3a h VAL 257 N -0.26 1.18 -0.08 4.60 2.07 -0.95 -1.00 116.25 121.81 1p3a h VAL 257 Ca 0.01 -0.43 -0.15 0.00 0.82 0.00 0.00 66.70 66.95 1p3a h VAL 257 Cb 0.27 -0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 29.84 1p3a h VAL 257 CO -0.06 0.23 -0.60 0.25 0.02 0.00 0.00 177.57 177.41 1p3a h LEU 258 N 1.26 0.30 0.04 2.57 5.85 -0.34 -1.49 115.31 123.50 1p3a h LEU 258 Ca 0.39 -0.17 -0.00 0.00 0.84 0.00 0.00 57.88 58.93 1p3a h LEU 258 Cb -0.03 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 40.92 1p3a h LEU 258 CO -0.12 0.83 -0.02 0.50 -0.34 0.00 0.00 178.44 179.29 1p3a h LYS 259 N 0.20 -0.06 -0.61 1.25 1.63 0.56 -1.44 116.57 118.10 1p3a h LYS 259 Ca -0.01 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.78 1p3a h LYS 259 Cb 1.11 0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 32.72 1p3a h LYS 259 CO 0.09 0.14 0.31 0.28 -3.45 0.00 0.00 179.45 176.82 1p3a h VAL 260 N -0.24 1.21 -0.13 2.00 2.07 -1.19 -0.57 116.25 119.40 1p3a h VAL 260 Ca -0.01 -0.56 0.04 0.00 0.82 0.00 0.00 66.70 67.00 1p3a h VAL 260 Cb 0.22 0.45 -0.05 0.00 -1.52 0.00 0.00 31.29 30.39 1p3a h VAL 260 CO 0.01 0.23 -0.16 0.15 0.02 0.00 0.00 177.57 177.82 1p3a h PHE 261 N 0.84 -0.41 -0.62 1.57 3.57 -1.14 -2.36 116.94 118.38 1p3a h PHE 261 Ca 0.21 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.66 1p3a h PHE 261 Cb 0.08 0.20 -0.02 0.00 2.79 0.00 0.00 35.95 39.00 1p3a h PHE 261 CO -0.00 -0.23 0.07 -0.07 -2.23 0.00 0.00 178.31 175.85 1p3a h LEU 262 N -0.20 1.00 -1.43 0.59 3.38 -0.91 -2.49 115.31 115.24 1p3a h LEU 262 Ca 0.09 -0.24 0.08 0.00 0.09 0.00 0.00 57.88 57.90 1p3a h LEU 262 Cb 0.34 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.78 1p3a h LEU 262 CO -0.25 1.01 0.46 -0.33 0.09 0.00 0.00 178.44 179.42 1p3a h GLU 263 N 0.97 0.65 -0.14 1.13 5.08 -0.86 -0.87 114.58 120.53 1p3a h GLU 263 Ca 0.19 -0.04 -0.22 0.00 -1.00 0.00 0.00 59.36 58.29 1p3a h GLU 263 Cb 0.46 -0.15 0.01 0.00 0.50 0.00 0.00 28.75 29.57 1p3a h GLU 263 CO 0.02 0.43 -0.76 -0.91 -1.00 0.00 0.00 179.01 176.78 1p3a h ASN 264 N 0.67 0.92 0.01 1.42 2.35 -1.09 -2.22 115.58 117.63 1p3a h ASN 264 Ca 0.31 -0.63 -0.23 0.00 -0.55 0.00 0.00 56.30 55.20 1p3a h ASN 264 Cb 0.35 -0.27 0.02 0.00 0.05 0.00 0.00 38.32 38.47 1p3a h ASN 264 CO -0.10 1.41 -0.88 0.58 -1.65 0.00 0.00 177.43 176.78 1p3a h VAL 265 N 0.50 1.34 -0.39 2.81 2.07 -1.01 -3.14 116.25 118.43 1p3a h VAL 265 Ca -0.05 -2.20 -0.11 0.00 0.82 0.00 0.00 66.70 65.16 1p3a h VAL 265 Cb 1.40 2.49 -0.02 0.00 -1.52 0.00 0.00 31.29 33.64 1p3a h VAL 265 CO 0.16 0.66 -0.20 0.40 0.02 0.00 0.00 177.57 178.62 1p3a h ILE 266 N 0.19 1.27 0.40 4.57 2.04 -1.28 0.47 117.51 125.16 1p3a h ILE 266 Ca -0.11 -1.28 -0.01 0.00 1.00 0.00 0.00 64.86 64.46 1p3a h ILE 266 Cb 1.56 1.18 -0.03 0.00 -0.74 0.00 0.00 36.82 38.80 1p3a h ILE 266 CO 0.17 0.43 -0.44 -0.09 0.00 0.00 0.00 178.15 178.22 1p3a h ARG 267 N 0.66 -0.84 -0.26 2.37 2.43 -1.46 0.24 114.38 117.52 1p3a h ARG 267 Ca 0.10 0.06 0.04 0.00 -0.81 0.00 0.00 59.98 59.37 1p3a h ARG 267 Cb 0.69 0.19 -0.04 0.00 -0.42 0.00 0.00 29.97 30.39 1p3a h ARG 267 CO 0.05 -0.56 -0.00 -0.44 -1.51 0.00 0.00 179.97 177.51 1p3a h ASP 268 N -0.87 -0.11 0.07 -3.80 5.19 -1.46 0.42 116.42 115.87 1p3a h ASP 268 Ca -0.04 0.06 0.02 0.00 -0.62 0.00 0.00 57.03 56.46 1p3a h ASP 268 Cb 0.78 0.10 -0.05 0.00 0.18 0.00 0.00 39.33 40.34 1p3a h ASP 268 CO -0.09 -0.02 -0.39 0.00 -3.12 0.00 0.00 179.24 175.62 1p3a h ALA 269 N 1.22 -0.66 -1.00 3.45 0.00 0.24 -0.53 119.26 121.98 1p3a h ALA 269 Ca 0.12 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.03 1p3a h ALA 269 Cb 0.16 0.68 -0.06 0.00 0.00 0.00 0.00 17.79 18.57 1p3a h ALA 269 CO -0.21 -0.94 0.65 0.28 0.00 0.00 0.00 179.25 179.03 1p3a h VAL 270 N -0.59 1.15 -0.77 0.00 2.07 -0.33 -0.31 116.25 117.46 1p3a h VAL 270 Ca 0.04 -0.42 0.05 0.00 0.82 0.00 0.00 66.70 67.18 1p3a h VAL 270 Cb 0.64 -0.20 -0.05 0.00 -1.52 0.00 0.00 31.29 30.17 1p3a h VAL 270 CO -0.26 0.23 0.51 0.74 0.02 0.00 0.00 177.57 178.80 1p3a h THR 271 N 1.24 1.07 -0.34 2.57 2.02 0.69 -0.48 112.91 119.67 1p3a h THR 271 Ca 0.41 -0.30 -0.16 0.00 0.77 0.00 0.00 66.41 67.12 1p3a h THR 271 Cb 0.05 0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 66.57 1p3a h THR 271 CO -0.14 0.16 -0.43 1.88 0.37 0.00 0.00 175.52 177.36 1p3a h TYR 272 N 0.87 1.05 0.27 3.16 -1.99 0.48 -2.63 116.97 118.18 1p3a h TYR 272 Ca 0.32 -0.33 -0.01 0.00 2.00 0.00 0.00 58.73 60.71 1p3a h TYR 272 Cb 0.16 -0.22 0.00 0.00 2.00 0.00 0.00 36.73 38.68 1p3a h TYR 272 CO -0.00 1.14 -0.13 1.15 -0.00 0.00 0.00 178.16 180.32 1p3a h THR 273 N 0.70 0.75 -0.81 -2.88 2.02 -0.65 -2.89 112.91 109.14 1p3a h THR 273 Ca 0.05 -0.08 0.10 0.00 0.77 0.00 0.00 66.41 67.24 1p3a h THR 273 Cb 1.02 0.80 -0.07 0.00 -1.74 0.00 0.00 68.15 68.15 1p3a h THR 273 CO 0.10 0.02 0.46 -0.33 0.37 0.00 0.00 175.52 176.13 1p3a h GLU 274 N -0.40 0.73 0.00 6.66 5.08 -1.09 -1.25 114.58 124.31 1p3a h GLU 274 Ca -0.04 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1p3a h GLU 274 Cb 0.31 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.39 1p3a h GLU 274 CO 0.06 0.49 0.00 1.25 -1.00 0.00 0.00 179.01 179.81 1p3a h HIS 275 N 0.76 0.00 -0.53 4.33 2.76 -1.26 0.21 115.15 121.41 1p3a h HIS 275 Ca 0.40 0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.54 1p3a h HIS 275 Cb 0.39 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.33 1p3a h HIS 275 CO -0.07 0.00 0.03 0.00 -1.30 0.00 0.00 177.93 176.59 1p3a n ALA 276 N -1.97 3.81 -3.39 5.26 0.00 -0.49 -4.92 120.51 118.81 1p3a n ALA 276 Ca -0.01 -2.07 -0.19 0.00 0.00 0.00 0.00 53.44 51.17 1p3a n ALA 276 Cb 0.14 -1.06 -0.03 0.00 0.00 0.00 0.00 19.45 18.50 1p3a n ALA 276 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1p3a n LYS 277 N 0.30 -2.09 -2.96 0.00 5.02 0.73 -4.92 118.16 114.23 1p3a n LYS 277 Ca 0.28 0.10 -0.19 0.00 -2.02 0.00 0.00 58.31 56.48 1p3a n LYS 277 Cb 1.17 -4.65 0.05 0.00 -0.02 0.00 0.00 35.03 31.57 1p3a n LYS 277 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1p3a s ARG 278 N -5.99 2.45 0.00 1.97 0.52 -1.09 -5.02 118.95 111.80 1p3a s ARG 278 Ca 0.37 -1.40 0.00 0.00 -0.52 0.00 0.00 55.73 54.18 1p3a s ARG 278 Cb -0.21 -2.65 0.00 0.00 0.52 0.00 0.00 34.95 32.61 1p3a s ARG 278 CO 0.45 -0.69 0.27 1.63 0.02 0.00 0.00 175.30 176.98 1p3a n LYS 279 N -2.16 0.63 -4.65 3.54 5.02 -1.26 -4.53 118.16 114.75 1p3a n LYS 279 Ca 0.12 -0.27 -0.33 0.00 -2.02 0.00 0.00 58.31 55.81 1p3a n LYS 279 Cb 0.60 -0.73 -0.14 0.00 -0.02 0.00 0.00 35.03 34.75 1p3a n LYS 279 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1p3a s THR 280 N -0.17 3.33 -0.24 -0.18 2.01 -1.26 -5.08 115.64 114.05 1p3a s THR 280 Ca 0.00 -0.56 -0.27 0.00 0.31 0.00 0.00 61.69 61.16 1p3a s THR 280 Cb 0.00 -2.42 0.01 0.00 0.01 0.00 0.00 72.50 70.10 1p3a s THR 280 CO 0.00 0.51 0.97 -0.69 -0.69 0.00 0.00 174.62 174.72 1p3a s VAL 281 N 0.36 4.72 0.43 3.82 1.01 -1.26 -4.91 120.40 124.57 1p3a s VAL 281 Ca -0.09 1.84 -0.01 0.00 0.00 0.00 0.00 61.98 63.73 1p3a s VAL 281 Cb -0.15 -4.25 -0.02 0.00 0.00 0.00 0.00 36.38 31.96 1p3a s VAL 281 CO 0.05 -0.17 0.66 0.42 0.00 0.00 0.00 175.10 176.06 1p3a s THR 282 N 3.11 4.43 0.47 3.92 -4.23 -1.26 -4.96 115.64 117.12 1p3a s THR 282 Ca 0.41 -0.37 0.16 0.00 -1.18 0.00 0.00 61.69 60.71 1p3a s THR 282 Cb -0.15 -3.64 0.22 0.00 1.34 0.00 0.00 72.50 70.27 1p3a s THR 282 CO 0.07 -0.48 2.05 0.00 -0.54 0.00 0.00 174.62 175.73 1p3a h ALA 283 N 0.45 1.75 -0.78 3.99 0.00 -1.87 -0.67 119.26 122.13 1p3a h ALA 283 Ca -0.47 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 54.37 1p3a h ALA 283 Cb 1.24 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.95 1p3a h ALA 283 CO 0.59 0.15 0.49 0.52 0.00 0.00 0.00 179.25 181.00 1p3a h MET 284 N 0.00 0.89 -0.65 0.00 2.86 -1.85 0.28 114.93 116.47 1p3a h MET 284 Ca -0.00 -0.05 0.09 0.00 -2.06 0.00 0.00 59.70 57.67 1p3a h MET 284 Cb 0.22 -0.20 -0.07 0.00 0.06 0.00 0.00 31.60 31.61 1p3a h MET 284 CO 0.02 0.59 0.30 -0.44 1.06 0.00 0.00 176.91 178.44 1p3a h ASP 285 N 0.92 0.37 -0.48 1.22 3.32 -1.47 0.66 116.42 120.96 1p3a h ASP 285 Ca 0.33 0.06 -0.08 0.00 0.02 0.00 0.00 57.03 57.36 1p3a h ASP 285 Cb 0.09 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.62 1p3a h ASP 285 CO -0.14 0.22 -0.00 0.58 -1.72 0.00 0.00 179.24 178.18 1p3a h VAL 286 N 0.52 1.26 -0.41 -1.35 2.07 -1.12 -1.23 116.25 115.99 1p3a h VAL 286 Ca 0.32 -1.07 -0.02 0.00 0.82 0.00 0.00 66.70 66.75 1p3a h VAL 286 Cb 0.33 1.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 1p3a h VAL 286 CO -0.26 0.37 0.17 0.58 0.02 0.00 0.00 177.57 178.44 1p3a h VAL 287 N 0.70 1.19 -0.63 2.57 2.07 0.99 0.16 116.25 123.30 1p3a h VAL 287 Ca 0.14 -0.60 -0.05 0.00 0.82 0.00 0.00 66.70 67.01 1p3a h VAL 287 Cb 0.51 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 31.08 1p3a h VAL 287 CO 0.02 0.22 0.19 1.88 0.02 0.00 0.00 177.57 179.90 1p3a h TYR 288 N 0.51 1.03 -0.19 1.57 0.99 0.31 -2.18 116.97 119.01 1p3a h TYR 288 Ca 0.14 -0.11 0.01 0.00 2.00 0.00 0.00 58.73 60.77 1p3a h TYR 288 Cb 0.18 -0.30 -0.01 0.00 1.00 0.00 0.00 36.73 37.60 1p3a h TYR 288 CO -0.00 0.85 0.10 0.00 -0.00 0.00 0.00 178.16 179.10 1p3a h ALA 289 N 1.07 0.23 -0.98 3.88 0.00 -0.78 -1.05 119.26 121.62 1p3a h ALA 289 Ca 0.20 0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.13 1p3a h ALA 289 Cb 0.31 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.02 1p3a h ALA 289 CO -0.00 -0.32 0.65 -0.07 0.00 0.00 0.00 179.25 179.50 1p3a h LEU 290 N 0.20 1.12 -0.75 0.00 3.38 -0.60 -2.17 115.31 116.50 1p3a h LEU 290 Ca 0.08 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 1p3a h LEU 290 Cb 0.01 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.46 1p3a h LEU 290 CO -0.05 0.80 0.34 0.50 0.09 0.00 0.00 178.44 180.12 1p3a h LYS 291 N 1.31 1.09 -0.03 1.13 3.64 -0.73 -0.69 116.57 122.30 1p3a h LYS 291 Ca 0.37 -0.17 0.01 0.00 -1.27 0.00 0.00 60.65 59.58 1p3a h LYS 291 Cb -0.12 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 31.51 1p3a h LYS 291 CO -0.09 0.86 0.13 0.00 -2.27 0.00 0.00 179.45 178.09 1p3a h ARG 292 N 1.06 0.00 -0.23 1.90 3.08 -0.55 -1.90 114.38 117.74 1p3a h ARG 292 Ca 0.25 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.30 1p3a h ARG 292 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.20 1p3a h ARG 292 CO -0.03 0.00 0.00 1.04 -1.07 0.00 0.00 179.97 179.91 1p3a n GLN 293 N -3.19 2.03 -1.61 0.04 6.02 -0.40 -4.95 117.38 115.32 1p3a n GLN 293 Ca -0.02 -1.91 -0.03 0.00 -0.01 0.00 0.00 57.00 55.03 1p3a n GLN 293 Cb 0.20 -1.39 -0.01 0.00 1.02 0.00 0.00 30.24 30.06 1p3a n GLN 293 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1p3a n GLY 294 N 1.10 0.42 2.49 1.08 0.00 -0.71 -4.95 105.19 104.63 1p3a n GLY 294 Ca 0.14 -0.84 -0.23 0.00 0.00 0.00 0.00 46.02 45.10 1p3a n GLY 294 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1p3a n ARG 295 N -2.05 2.95 -1.66 1.61 5.12 -0.43 -5.02 116.66 117.18 1p3a n ARG 295 Ca -0.04 -4.22 -0.54 0.00 -1.93 0.00 0.00 57.85 51.13 1p3a n ARG 295 Cb 0.33 -2.04 -0.06 0.00 -1.16 0.00 0.00 32.46 29.53 1p3a n ARG 295 CO 0.00 0.00 0.00 2.41 -1.93 0.00 0.00 177.63 178.11 1p3a n THR 296 N -0.41 0.18 -4.71 0.55 -1.04 -1.25 -4.45 114.28 103.15 1p3a n THR 296 Ca 0.33 -0.03 -0.33 0.00 -2.04 0.00 0.00 64.05 61.97 1p3a n THR 296 Cb 0.71 -1.10 -0.12 0.00 -1.82 0.00 0.00 70.33 68.00 1p3a n THR 296 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 1p3a s LEU 297 N 2.15 2.98 -0.12 -4.42 2.96 -1.26 -5.01 118.68 115.96 1p3a s LEU 297 Ca 0.91 -0.13 -0.05 0.00 -0.22 0.00 0.00 54.13 54.65 1p3a s LEU 297 Cb -0.98 -1.65 -0.04 0.00 0.50 0.00 0.00 46.19 44.02 1p3a s LEU 297 CO 0.56 0.31 0.05 -0.31 -1.32 0.00 0.00 176.35 175.64 1p3a s TYR 298 N -0.52 3.29 0.00 5.38 1.51 -1.26 -4.78 117.35 120.97 1p3a s TYR 298 Ca 0.07 0.23 0.00 0.00 -1.01 0.00 0.00 57.07 56.36 1p3a s TYR 298 Cb -0.12 -1.91 0.00 0.00 -0.11 0.00 0.00 41.96 39.83 1p3a s TYR 298 CO 0.02 0.44 0.00 0.41 -1.11 0.00 0.00 175.55 175.31 1p3a n GLY 299 N 2.50 1.61 3.39 0.71 0.00 -1.26 -5.10 105.19 107.05 1p3a n GLY 299 Ca -0.18 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.63 1p3a n GLY 299 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1p3a s PHE 300 N -2.00 1.89 0.00 1.61 0.40 -1.26 -5.25 117.98 113.37 1p3a s PHE 300 Ca 0.00 -0.52 0.00 0.00 -0.60 0.00 0.00 56.93 55.81 1p3a s PHE 300 Cb 0.00 -0.89 0.00 0.00 0.51 0.00 0.00 43.02 42.64 1p3a s PHE 300 CO 0.00 0.44 0.16 0.41 0.70 0.00 0.00 175.22 176.94