#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1opj s ASP 245 N 0.00 5.64 0.34 3.17 1.01 -1.26 -4.99 116.67 120.59 1opj s ASP 245 Ca 0.00 0.12 0.12 0.00 0.71 0.00 0.00 52.55 53.50 1opj s ASP 245 Cb 0.00 -1.60 0.96 0.00 1.01 0.00 0.00 42.92 43.29 1opj s ASP 245 CO 0.00 0.26 1.73 -0.65 0.21 0.00 0.00 175.17 176.72 1opj h PRO 246 N 3.96 0.50 -0.96 8.23 0.11 -2.01 0.21 132.00 142.04 1opj h PRO 246 Ca -0.49 -0.03 0.11 0.00 0.11 0.00 0.00 66.00 65.70 1opj h PRO 246 Cb 1.18 -0.11 -0.07 0.00 0.11 0.00 0.00 31.00 32.10 1opj h PRO 246 CO 0.63 0.33 0.61 0.77 -0.21 0.00 0.00 178.00 180.13 1opj h SER 247 N 0.51 0.89 -2.72 -2.05 0.02 -2.03 -3.44 113.55 104.73 1opj h SER 247 Ca 0.64 0.03 -0.59 0.00 -0.84 0.00 0.00 61.79 61.03 1opj h SER 247 Cb 1.35 -0.15 0.09 0.00 0.14 0.00 0.00 62.40 63.84 1opj h SER 247 CO -0.44 0.50 0.44 -0.24 -1.14 0.00 0.00 176.83 175.96 1opj n SER 248 N -4.56 2.29 0.22 3.07 2.88 0.74 -4.90 113.62 113.35 1opj n SER 248 Ca 0.17 1.17 0.08 0.00 -1.33 0.00 0.00 58.87 58.96 1opj n SER 248 Cb 0.32 -1.39 0.52 0.00 -0.75 0.00 0.00 64.21 62.91 1opj n SER 248 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 1opj h PRO 249 N 3.21 0.00 -1.09 -1.46 0.11 -1.87 -2.94 132.00 127.97 1opj h PRO 249 Ca -0.44 0.00 -0.63 0.00 0.11 0.00 0.00 66.00 65.04 1opj h PRO 249 Cb 1.30 0.00 -0.36 0.00 0.11 0.00 0.00 31.00 32.05 1opj h PRO 249 CO 0.68 0.25 0.03 0.09 -0.21 0.00 0.00 178.00 178.84 1opj n ASN 250 N -3.71 6.22 -4.74 -2.05 3.02 -1.26 -5.02 115.26 107.73 1opj n ASN 250 Ca -0.01 -3.77 -0.41 0.00 -0.03 0.00 0.00 54.58 50.35 1opj n ASN 250 Cb 0.36 -0.67 -0.04 0.00 -0.61 0.00 0.00 39.78 38.82 1opj n ASN 250 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1opj s TYR 251 N -3.73 3.50 -0.24 3.10 5.04 -1.11 -4.99 117.35 118.92 1opj s TYR 251 Ca 0.56 1.49 -0.01 0.00 -2.44 0.00 0.00 57.07 56.67 1opj s TYR 251 Cb 0.45 -3.36 0.07 0.00 0.35 0.00 0.00 41.96 39.47 1opj s TYR 251 CO -0.06 -0.94 0.01 0.34 -1.34 0.00 0.00 175.55 173.56 1opj s ASP 252 N 0.13 3.59 0.56 4.32 3.68 -1.26 -5.02 116.67 122.66 1opj s ASP 252 Ca 0.52 -1.19 0.27 0.00 2.13 0.00 0.00 52.55 54.28 1opj s ASP 252 Cb -0.31 -0.92 1.48 0.00 -1.45 0.00 0.00 42.92 41.71 1opj s ASP 252 CO 0.35 -0.30 2.00 0.07 0.13 0.00 0.00 175.17 177.42 1opj h LYS 253 N 8.07 0.00 0.02 4.34 2.10 -1.99 -2.22 116.57 126.89 1opj h LYS 253 Ca -0.16 0.00 -0.22 0.00 -2.00 0.00 0.00 60.65 58.28 1opj h LYS 253 Cb 1.07 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.38 1opj h LYS 253 CO 0.40 0.00 -1.01 -1.49 -2.00 0.00 0.00 179.45 175.35 1opj h TRP 254 N 0.00 0.12 -2.53 0.07 4.06 -1.95 -3.45 115.95 112.26 1opj h TRP 254 Ca 0.20 -0.08 -0.53 0.00 2.06 0.00 0.00 58.89 60.54 1opj h TRP 254 Cb 0.90 -0.01 0.03 0.00 -1.00 0.00 0.00 29.16 29.08 1opj h TRP 254 CO 0.00 1.03 1.11 -1.21 -3.56 0.00 0.00 178.44 175.81 1opj s GLU 255 N -2.80 4.15 0.28 0.49 0.41 -0.84 -1.59 118.70 118.81 1opj s GLU 255 Ca -0.00 2.52 0.09 0.00 -0.41 0.00 0.00 54.97 57.16 1opj s GLU 255 Cb 0.10 -3.75 -0.04 0.00 -1.78 0.00 0.00 34.13 28.66 1opj s GLU 255 CO 0.83 -0.85 0.09 1.41 -0.49 0.00 0.00 175.26 176.25 1opj s MET 256 N 3.18 2.47 -0.58 1.61 -2.45 0.10 -4.64 119.30 119.00 1opj s MET 256 Ca 0.81 -1.37 -0.28 0.00 -1.25 0.00 0.00 55.69 53.60 1opj s MET 256 Cb -0.43 -2.26 0.03 0.00 1.25 0.00 0.00 34.83 33.42 1opj s MET 256 CO 0.36 0.30 1.16 -2.00 1.05 0.00 0.00 175.02 175.89 1opj s GLU 257 N -3.77 3.49 0.19 4.11 2.56 -1.26 -4.71 118.70 119.31 1opj s GLU 257 Ca 0.34 0.18 -0.12 0.00 0.00 0.00 0.00 54.97 55.36 1opj s GLU 257 Cb -0.06 -4.02 0.20 0.00 2.00 0.00 0.00 34.13 32.25 1opj s GLU 257 CO 0.22 -1.65 1.74 0.07 -0.56 0.00 0.00 175.26 175.07 1opj h ARG 258 N 9.51 0.33 -0.46 4.30 0.11 -1.96 0.54 114.38 126.75 1opj h ARG 258 Ca -0.25 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 59.81 1opj h ARG 258 Cb 1.06 -0.07 0.00 0.00 1.11 0.00 0.00 29.97 32.07 1opj h ARG 258 CO 1.17 0.22 0.00 -2.37 0.10 0.00 0.00 179.97 179.09 1opj n THR 259 N -5.03 0.02 0.33 0.08 5.66 -1.26 -1.00 114.28 113.08 1opj n THR 259 Ca 0.06 0.00 0.03 0.00 -3.05 0.00 0.00 64.05 61.09 1opj n THR 259 Cb 0.23 -0.23 -0.03 0.00 -1.55 0.00 0.00 70.33 68.75 1opj n THR 259 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 1opj n ASP 260 N 0.32 0.51 -4.39 1.09 2.03 0.18 -4.97 116.55 111.32 1opj n ASP 260 Ca 0.00 -0.76 -0.33 0.00 0.52 0.00 0.00 54.79 54.23 1opj n ASP 260 Cb 0.11 0.86 -0.14 0.00 -0.72 0.00 0.00 41.12 41.23 1opj n ASP 260 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1opj s ILE 261 N -1.52 3.00 -0.58 5.18 -1.09 -0.17 -3.14 121.20 122.89 1opj s ILE 261 Ca 0.04 -0.70 -0.16 0.00 -2.23 0.00 0.00 60.65 57.60 1opj s ILE 261 Cb 0.05 -2.23 0.14 0.00 -1.58 0.00 0.00 42.46 38.85 1opj s ILE 261 CO 0.26 0.54 0.53 -0.89 -1.23 0.00 0.00 174.94 174.16 1opj s THR 262 N 0.06 5.25 0.14 2.92 2.01 -0.96 -4.96 115.64 120.10 1opj s THR 262 Ca -0.05 -1.64 -0.31 0.00 0.31 0.00 0.00 61.69 59.99 1opj s THR 262 Cb -0.15 -4.35 -0.10 0.00 0.01 0.00 0.00 72.50 67.91 1opj s THR 262 CO 0.04 -0.89 1.74 -0.04 -0.69 0.00 0.00 174.62 174.79 1opj s MET 263 N 1.40 4.15 0.00 4.92 -1.94 -1.26 -2.78 119.30 123.79 1opj s MET 263 Ca 0.05 2.53 0.00 0.00 -1.71 0.00 0.00 55.69 56.56 1opj s MET 263 Cb -0.27 -3.41 0.00 0.00 2.01 0.00 0.00 34.83 33.16 1opj s MET 263 CO 0.01 -0.77 0.00 1.63 -0.01 0.00 0.00 175.02 175.88 1opj n LYS 264 N 5.03 3.20 -2.55 2.03 5.02 0.15 -4.99 118.16 126.05 1opj n LYS 264 Ca 0.16 0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 56.17 1opj n LYS 264 Cb 0.38 0.00 -0.00 0.00 -0.02 0.00 0.00 35.03 35.39 1opj n LYS 264 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 1opj s HIS 265 N 4.51 3.57 0.52 2.13 3.76 -1.26 -4.66 115.29 123.85 1opj s HIS 265 Ca 0.00 0.89 -0.23 0.00 -0.15 0.00 0.00 55.06 55.57 1opj s HIS 265 Cb 0.00 -2.37 -0.06 0.00 1.11 0.00 0.00 32.58 31.27 1opj s HIS 265 CO 0.00 -0.32 1.38 1.17 -0.85 0.00 0.00 174.74 176.12 1opj n LYS 266 N -2.26 1.86 -2.96 1.40 4.81 -1.26 -0.92 118.16 118.83 1opj n LYS 266 Ca 0.01 0.68 -0.41 0.00 -0.87 0.00 0.00 58.31 57.72 1opj n LYS 266 Cb 0.55 -2.60 -0.05 0.00 0.02 0.00 0.00 35.03 32.96 1opj n LYS 266 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1opj s LEU 267 N -3.24 4.17 -0.44 3.14 1.43 -0.10 -3.98 118.68 119.68 1opj s LEU 267 Ca 0.69 1.08 -0.00 0.00 -1.03 0.00 0.00 54.13 54.87 1opj s LEU 267 Cb -0.43 -3.13 0.00 0.00 0.03 0.00 0.00 46.19 42.67 1opj s LEU 267 CO 0.52 -0.35 0.01 0.61 0.23 0.00 0.00 176.35 177.37 1opj n GLY 268 N 3.53 0.17 1.81 -3.19 0.00 -1.26 -3.89 105.19 102.36 1opj n GLY 268 Ca 0.02 -0.67 -0.07 0.00 0.00 0.00 0.00 46.02 45.31 1opj n GLY 268 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1opj n GLY 269 N -1.00 0.66 0.00 -0.02 0.00 -1.26 -0.13 105.19 103.44 1opj n GLY 269 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1opj n GLY 269 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1opj n GLY 270 N -0.05 1.36 0.36 -0.02 0.00 -1.25 -5.00 105.19 100.59 1opj n GLY 270 Ca -0.07 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.09 1opj n GLY 270 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1opj h GLN 271 N 0.00 0.37 -0.47 1.61 4.15 -0.70 -0.95 115.11 119.12 1opj h GLN 271 Ca 0.00 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.40 1opj h GLN 271 Cb 0.00 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 27.61 1opj h GLN 271 CO 0.00 0.24 0.00 0.66 -1.93 0.00 0.00 178.83 177.80 1opj n TYR 272 N -4.46 0.88 -4.36 3.99 4.02 -1.25 -4.54 117.16 111.43 1opj n TYR 272 Ca 0.11 -0.59 0.00 0.00 -0.01 0.00 0.00 57.90 57.41 1opj n TYR 272 Cb 0.43 -0.12 0.00 0.00 -0.02 0.00 0.00 39.34 39.63 1opj n TYR 272 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1opj n GLY 273 N 0.70 1.02 2.35 2.72 0.00 -0.36 -4.03 105.19 107.58 1opj n GLY 273 Ca 0.19 -0.78 -0.25 0.00 0.00 0.00 0.00 46.02 45.18 1opj n GLY 273 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1opj n GLU 274 N 9.62 2.54 -4.61 1.61 -0.58 -1.26 -4.65 120.64 123.30 1opj n GLU 274 Ca 0.00 -1.53 -0.33 0.00 -0.42 0.00 0.00 57.16 54.88 1opj n GLU 274 Cb 0.00 -2.41 -0.16 0.00 -0.57 0.00 0.00 31.44 28.29 1opj n GLU 274 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1opj s VAL 275 N 2.36 2.16 0.11 2.62 1.01 -1.26 -0.26 120.40 127.14 1opj s VAL 275 Ca 0.55 -0.94 0.10 0.00 0.00 0.00 0.00 61.98 61.68 1opj s VAL 275 Cb 0.18 -1.87 -0.04 0.00 0.00 0.00 0.00 36.38 34.64 1opj s VAL 275 CO -0.03 0.54 -0.22 -0.31 0.00 0.00 0.00 175.10 175.07 1opj s TYR 276 N 0.85 2.43 0.35 5.22 1.51 0.52 -0.92 117.35 127.30 1opj s TYR 276 Ca -0.06 -0.32 -0.26 0.00 -1.01 0.00 0.00 57.07 55.42 1opj s TYR 276 Cb -0.15 -1.33 -0.09 0.00 -0.11 0.00 0.00 41.96 40.28 1opj s TYR 276 CO -0.02 0.33 1.04 -2.00 -1.11 0.00 0.00 175.55 173.78 1opj s GLU 277 N -1.94 4.40 0.25 -0.62 2.12 -0.10 -0.53 118.70 122.28 1opj s GLU 277 Ca 0.15 1.55 -0.07 0.00 0.36 0.00 0.00 54.97 56.96 1opj s GLU 277 Cb -0.10 -2.79 -0.02 0.00 0.26 0.00 0.00 34.13 31.48 1opj s GLU 277 CO 0.07 0.06 0.35 0.20 -0.54 0.00 0.00 175.26 175.40 1opj s GLY 278 N -1.38 1.03 -0.12 -1.50 0.00 0.95 0.30 107.32 106.60 1opj s GLY 278 Ca 0.52 -1.29 -0.01 0.00 0.00 0.00 0.00 44.72 43.94 1opj s GLY 278 CO 0.30 -0.97 -0.03 0.14 0.00 0.00 0.00 173.10 172.54 1opj s VAL 279 N -3.92 0.77 -1.06 1.40 1.01 -1.12 -0.42 120.40 117.07 1opj s VAL 279 Ca 0.30 -0.25 -0.21 0.00 0.00 0.00 0.00 61.98 61.82 1opj s VAL 279 Cb 0.02 -0.92 -0.08 0.00 0.00 0.00 0.00 36.38 35.40 1opj s VAL 279 CO 0.12 0.21 1.94 1.87 0.00 0.00 0.00 175.10 179.25 1opj n TRP 280 N 5.01 2.71 0.00 5.22 -0.00 0.20 -2.25 117.44 128.32 1opj n TRP 280 Ca -0.10 -1.97 0.00 0.00 -0.00 0.00 0.00 57.50 55.43 1opj n TRP 280 Cb 0.49 -2.23 0.00 0.00 -0.00 0.00 0.00 31.31 29.58 1opj n TRP 280 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 177.69 179.32 1opj n LYS 281 N 7.48 0.00 0.12 5.87 5.02 -1.19 -0.66 118.16 134.80 1opj n LYS 281 Ca 0.48 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.65 1opj n LYS 281 Cb 0.43 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 35.37 1opj n LYS 281 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 1opj h LYS 282 N 0.00 -0.60 -0.22 1.97 3.64 -1.88 -2.50 116.57 116.98 1opj h LYS 282 Ca 0.00 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 1opj h LYS 282 Cb 0.00 0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 1opj h LYS 282 CO 0.00 -0.40 0.00 0.66 -2.27 0.00 0.00 179.45 177.44 1opj n TYR 283 N -4.71 0.21 -4.37 1.91 4.02 0.16 -4.89 117.16 109.50 1opj n TYR 283 Ca -0.07 -0.10 -0.39 0.00 -0.01 0.00 0.00 57.90 57.33 1opj n TYR 283 Cb 0.32 -0.02 -0.06 0.00 -0.02 0.00 0.00 39.34 39.56 1opj n TYR 283 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 1opj n SER 284 N -0.06 -2.13 -4.45 7.72 7.64 -0.73 -4.92 113.62 116.69 1opj n SER 284 Ca 0.05 -1.14 -0.33 0.00 1.01 0.00 0.00 58.87 58.46 1opj n SER 284 Cb 0.15 -2.14 -0.13 0.00 -1.01 0.00 0.00 64.21 61.08 1opj n SER 284 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1opj s LEU 285 N -7.26 2.71 -0.02 -3.43 2.96 -1.25 -4.92 118.68 107.48 1opj s LEU 285 Ca 0.69 -0.23 -0.27 0.00 -0.22 0.00 0.00 54.13 54.10 1opj s LEU 285 Cb -0.39 -1.56 -0.03 0.00 0.50 0.00 0.00 46.19 44.70 1opj s LEU 285 CO 0.98 0.31 0.86 -0.89 -1.32 0.00 0.00 176.35 176.29 1opj s THR 286 N -0.51 4.92 0.27 3.68 2.01 -1.26 0.59 115.64 125.34 1opj s THR 286 Ca 0.07 1.81 0.03 0.00 0.31 0.00 0.00 61.69 63.91 1opj s THR 286 Cb -0.12 -4.20 -0.06 0.00 0.01 0.00 0.00 72.50 68.13 1opj s THR 286 CO 0.02 0.21 0.03 0.68 -0.69 0.00 0.00 174.62 174.86 1opj s VAL 287 N 0.86 1.03 -0.13 3.82 -7.23 0.44 -2.91 120.40 116.27 1opj s VAL 287 Ca 0.46 -2.02 -0.04 0.00 -1.81 0.00 0.00 61.98 58.57 1opj s VAL 287 Cb -0.20 -2.53 -0.03 0.00 0.56 0.00 0.00 36.38 34.18 1opj s VAL 287 CO 0.24 -0.17 -0.01 0.00 -0.31 0.00 0.00 175.10 174.85 1opj s ALA 288 N -3.42 3.16 -0.19 1.32 0.00 0.94 -0.03 121.76 123.54 1opj s ALA 288 Ca 0.33 -0.80 0.01 0.00 0.00 0.00 0.00 51.96 51.49 1opj s ALA 288 Cb 0.07 -1.58 0.04 0.00 0.00 0.00 0.00 23.12 21.64 1opj s ALA 288 CO 0.12 0.34 -0.13 0.08 0.00 0.00 0.00 175.76 176.17 1opj s VAL 289 N -0.07 1.71 -0.12 0.00 1.01 0.31 -1.40 120.40 121.84 1opj s VAL 289 Ca 0.03 -0.94 -0.16 0.00 0.00 0.00 0.00 61.98 60.91 1opj s VAL 289 Cb -0.13 -1.71 -0.05 0.00 0.00 0.00 0.00 36.38 34.50 1opj s VAL 289 CO 0.02 0.28 0.41 -0.75 0.00 0.00 0.00 175.10 175.06 1opj s LYS 290 N 1.39 4.25 0.00 2.72 2.20 -0.36 -0.35 119.74 129.59 1opj s LYS 290 Ca 0.01 0.33 0.00 0.00 -0.36 0.00 0.00 55.97 55.95 1opj s LYS 290 Cb -0.15 -3.40 0.00 0.00 -1.51 0.00 0.00 37.83 32.77 1opj s LYS 290 CO -0.09 0.26 0.00 0.25 -0.36 0.00 0.00 175.35 175.40 1opj n THR 291 N 3.39 0.00 -3.80 3.43 -2.24 0.65 -1.78 114.28 113.93 1opj n THR 291 Ca -0.10 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.56 1opj n THR 291 Cb 0.52 0.00 -0.12 0.00 -2.10 0.00 0.00 70.33 68.63 1opj n THR 291 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1opj s LEU 292 N 0.00 1.16 0.81 3.22 1.43 -1.26 -4.75 118.68 119.29 1opj s LEU 292 Ca 0.00 0.41 -0.12 0.00 -1.03 0.00 0.00 54.13 53.39 1opj s LEU 292 Cb 0.00 0.69 0.08 0.00 0.03 0.00 0.00 46.19 46.99 1opj s LEU 292 CO 0.00 -0.08 1.17 -0.54 0.23 0.00 0.00 176.35 177.13 1opj s LYS 293 N 0.22 1.69 -0.23 1.70 3.01 -1.26 -4.80 119.74 120.08 1opj s LYS 293 Ca -0.01 1.61 -0.34 0.00 -1.01 0.00 0.00 55.97 56.22 1opj s LYS 293 Cb -0.02 -1.80 -0.11 0.00 -1.01 0.00 0.00 37.83 34.89 1opj s LYS 293 CO -0.01 -2.14 2.06 0.39 0.51 0.00 0.00 175.35 176.16 1opj n GLU 294 N -3.43 1.64 -2.55 1.68 1.02 -1.26 -3.34 120.64 114.40 1opj n GLU 294 Ca 0.12 0.52 -0.04 0.00 -0.02 0.00 0.00 57.16 57.74 1opj n GLU 294 Cb 0.51 -2.65 0.01 0.00 -0.02 0.00 0.00 31.44 29.29 1opj n GLU 294 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1opj n ASP 295 N 8.77 -6.79 -4.32 1.62 10.43 -1.26 -5.04 116.55 119.96 1opj n ASP 295 Ca 0.32 0.66 -0.34 0.00 2.57 0.00 0.00 54.79 57.99 1opj n ASP 295 Cb 0.29 -4.51 -0.14 0.00 1.84 0.00 0.00 41.12 38.59 1opj n ASP 295 CO 0.00 0.00 0.00 -0.89 -1.07 0.00 0.00 177.20 175.24 1opj s THR 296 N -1.98 3.04 -2.00 -3.53 2.01 -1.21 -4.97 115.64 106.99 1opj s THR 296 Ca 0.14 -0.64 0.00 0.00 0.31 0.00 0.00 61.69 61.50 1opj s THR 296 Cb -0.04 -2.32 0.01 0.00 0.01 0.00 0.00 72.50 70.16 1opj s THR 296 CO 0.62 0.49 0.22 0.23 -0.69 0.00 0.00 174.62 175.49 1opj n MET 297 N 4.11 0.19 -0.66 4.92 2.81 -1.26 -2.13 117.12 125.10 1opj n MET 297 Ca -0.18 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.71 1opj n MET 297 Cb 0.52 -1.02 0.21 0.00 -0.71 0.00 0.00 33.22 32.21 1opj n MET 297 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1opj n GLU 298 N -0.52 2.05 -0.11 0.03 1.02 -1.26 -4.70 120.64 117.14 1opj n GLU 298 Ca 0.00 -3.07 -0.11 0.00 -0.02 0.00 0.00 57.16 53.97 1opj n GLU 298 Cb 0.00 -1.79 -0.03 0.00 -0.02 0.00 0.00 31.44 29.60 1opj n GLU 298 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1opj h VAL 299 N 1.12 1.26 -0.78 2.62 2.07 -1.87 -2.05 116.25 118.62 1opj h VAL 299 Ca 0.14 -0.94 0.05 0.00 0.82 0.00 0.00 66.70 66.77 1opj h VAL 299 Cb 1.53 1.22 -0.06 0.00 -1.52 0.00 0.00 31.29 32.47 1opj h VAL 299 CO 0.31 0.31 0.48 -0.08 0.02 0.00 0.00 177.57 178.60 1opj h GLU 300 N 0.38 0.87 -0.58 1.57 4.81 -1.88 -0.87 114.58 118.87 1opj h GLU 300 Ca 0.09 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1opj h GLU 300 Cb 0.44 -0.20 -0.03 0.00 0.63 0.00 0.00 28.75 29.59 1opj h GLU 300 CO 0.02 0.57 0.36 0.93 -0.73 0.00 0.00 179.01 180.16 1opj h GLU 301 N 0.89 0.79 0.12 1.92 5.08 -1.87 -0.56 114.58 120.96 1opj h GLU 301 Ca 0.33 -0.07 0.01 0.00 -1.00 0.00 0.00 59.36 58.64 1opj h GLU 301 Cb 0.13 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.18 1opj h GLU 301 CO -0.16 0.56 -0.21 0.35 -1.00 0.00 0.00 179.01 178.55 1opj h PHE 302 N 0.79 -0.55 -0.63 4.33 3.57 -0.54 -1.28 116.94 122.62 1opj h PHE 302 Ca 0.21 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.71 1opj h PHE 302 Cb -0.04 0.23 -0.03 0.00 2.79 0.00 0.00 35.95 38.90 1opj h PHE 302 CO -0.02 -0.30 0.36 -0.07 -2.23 0.00 0.00 178.31 176.05 1opj h LEU 303 N -0.40 0.76 -0.69 0.59 3.38 -0.97 -2.17 115.31 115.81 1opj h LEU 303 Ca 0.02 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 1opj h LEU 303 Cb 0.42 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 1opj h LEU 303 CO -0.11 0.60 0.27 0.50 0.09 0.00 0.00 178.44 179.79 1opj h LYS 304 N 0.87 1.03 -0.66 1.13 3.64 -0.58 -1.75 116.57 120.25 1opj h LYS 304 Ca 0.23 -0.19 -0.04 0.00 -1.27 0.00 0.00 60.65 59.38 1opj h LYS 304 Cb -0.01 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 31.62 1opj h LYS 304 CO -0.04 0.86 0.25 1.49 -2.27 0.00 0.00 179.45 179.74 1opj h GLU 305 N 0.98 0.99 -0.25 1.90 4.81 -0.69 -1.56 114.58 120.75 1opj h GLU 305 Ca 0.23 -0.18 0.02 0.00 -0.13 0.00 0.00 59.36 59.29 1opj h GLU 305 Cb 0.21 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.41 1opj h GLU 305 CO -0.02 0.83 0.11 0.00 -0.73 0.00 0.00 179.01 179.20 1opj h ALA 306 N 1.11 0.30 -0.43 2.92 0.00 -1.04 -0.19 119.26 121.91 1opj h ALA 306 Ca 0.22 0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.17 1opj h ALA 306 Cb 0.22 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1opj h ALA 306 CO -0.02 -0.29 0.24 0.00 0.00 0.00 0.00 179.25 179.18 1opj h ALA 307 N 1.14 0.55 -0.14 0.00 0.00 -1.06 -1.94 119.26 117.81 1opj h ALA 307 Ca 0.11 0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.04 1opj h ALA 307 Cb 0.05 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1opj h ALA 307 CO -0.09 -0.10 0.03 0.28 0.00 0.00 0.00 179.25 179.37 1opj h VAL 308 N 0.48 0.94 0.00 0.00 2.07 -0.91 -2.35 116.25 116.48 1opj h VAL 308 Ca 0.18 -0.03 -0.01 0.00 0.82 0.00 0.00 66.70 67.66 1opj h VAL 308 Cb 0.05 0.85 -0.00 0.00 -1.52 0.00 0.00 31.29 30.67 1opj h VAL 308 CO -0.10 0.02 -0.03 0.24 0.02 0.00 0.00 177.57 177.71 1opj h MET 309 N 0.08 0.00 0.00 1.57 2.07 -0.67 -0.28 114.93 117.70 1opj h MET 309 Ca 0.06 0.00 -0.05 0.00 -2.07 0.00 0.00 59.70 57.64 1opj h MET 309 Cb 0.05 0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 29.78 1opj h MET 309 CO -0.08 0.03 -0.23 0.87 1.07 0.00 0.00 176.91 178.57 1opj h LYS 310 N 0.00 0.00 -0.00 1.72 1.57 -0.80 -3.17 116.57 115.89 1opj h LYS 310 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1opj h LYS 310 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.43 1opj h LYS 310 CO 0.00 0.23 -0.52 0.39 -0.57 0.00 0.00 179.45 178.99 1opj n GLU 311 N -3.31 0.41 -4.39 3.15 -0.58 -0.13 -4.89 120.64 110.91 1opj n GLU 311 Ca 0.01 -0.28 -0.34 0.00 -0.42 0.00 0.00 57.16 56.13 1opj n GLU 311 Cb 0.48 -1.49 -0.13 0.00 -0.57 0.00 0.00 31.44 29.73 1opj n GLU 311 CO 0.00 0.00 0.00 0.96 -0.48 0.00 0.00 177.13 177.61 1opj s ILE 312 N -2.78 3.61 -0.15 -3.67 -4.36 -1.16 -5.07 121.20 107.62 1opj s ILE 312 Ca 0.15 -0.45 -0.04 0.00 -0.26 0.00 0.00 60.65 60.05 1opj s ILE 312 Cb 0.18 -2.58 0.06 0.00 1.25 0.00 0.00 42.46 41.36 1opj s ILE 312 CO 0.66 0.48 0.08 -0.75 0.24 0.00 0.00 174.94 175.66 1opj s LYS 313 N 0.59 0.09 -0.18 0.37 2.20 -1.26 -4.81 119.74 116.74 1opj s LYS 313 Ca -0.04 -0.04 -0.24 0.00 -0.36 0.00 0.00 55.97 55.29 1opj s LYS 313 Cb -0.15 -1.67 0.06 0.00 -1.51 0.00 0.00 37.83 34.57 1opj s LYS 313 CO 0.03 -0.62 0.63 -1.58 -0.36 0.00 0.00 175.35 173.45 1opj s HIS 314 N 2.12 -0.66 0.58 4.03 2.46 -1.26 -5.04 115.29 117.52 1opj s HIS 314 Ca 0.02 1.47 0.27 0.00 0.47 0.00 0.00 55.06 57.29 1opj s HIS 314 Cb -0.16 0.27 1.69 0.00 -0.13 0.00 0.00 32.58 34.26 1opj s HIS 314 CO -0.08 -0.41 2.19 -1.00 -2.47 0.00 0.00 174.74 172.97 1opj h PRO 315 N 4.49 0.00 -0.52 2.88 0.13 -1.99 -2.70 132.00 134.28 1opj h PRO 315 Ca -0.28 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.72 1opj h PRO 315 Cb 1.16 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.21 1opj h PRO 315 CO 0.20 0.00 0.11 0.09 -0.23 0.00 0.00 178.00 178.17 1opj n ASN 316 N -3.95 4.28 -4.10 1.44 4.13 -1.26 -4.85 115.26 110.96 1opj n ASN 316 Ca -0.01 -3.22 -0.25 0.00 1.68 0.00 0.00 54.58 52.78 1opj n ASN 316 Cb 0.17 -0.66 -0.16 0.00 -1.54 0.00 0.00 39.78 37.58 1opj n ASN 316 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1opj s LEU 317 N -2.97 1.87 -0.00 3.41 1.43 -1.02 0.64 118.68 122.04 1opj s LEU 317 Ca 0.50 -0.31 -0.37 0.00 -1.03 0.00 0.00 54.13 52.92 1opj s LEU 317 Cb 0.40 -0.86 -0.16 0.00 0.03 0.00 0.00 46.19 45.60 1opj s LEU 317 CO 0.10 0.13 1.48 0.52 0.23 0.00 0.00 176.35 178.81 1opj n VAL 318 N 3.21 0.10 -3.49 -1.59 0.31 -0.76 -4.64 118.33 111.48 1opj n VAL 318 Ca -0.18 -0.02 -0.37 0.00 -0.01 0.00 0.00 64.34 63.76 1opj n VAL 318 Cb 0.53 -1.03 -0.07 0.00 -0.91 0.00 0.00 33.84 32.36 1opj n VAL 318 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 1opj s GLN 319 N 1.43 4.25 0.16 5.55 2.00 -1.26 -4.99 119.66 126.80 1opj s GLN 319 Ca 0.88 0.14 -0.30 0.00 -2.00 0.00 0.00 55.36 54.08 1opj s GLN 319 Cb -0.95 -3.45 -0.08 0.00 0.80 0.00 0.00 33.01 29.33 1opj s GLN 319 CO 0.51 0.17 1.27 -1.17 -0.50 0.00 0.00 175.29 175.57 1opj s LEU 320 N 0.66 4.41 -0.14 3.68 2.96 -1.26 -3.65 118.68 125.34 1opj s LEU 320 Ca 0.18 2.28 0.11 0.00 -0.22 0.00 0.00 54.13 56.48 1opj s LEU 320 Cb -0.14 -3.60 -0.17 0.00 0.50 0.00 0.00 46.19 42.78 1opj s LEU 320 CO 0.05 -0.48 0.03 0.18 -1.32 0.00 0.00 176.35 174.81 1opj n LEU 321 N 2.94 0.28 0.00 -0.68 4.77 0.14 -4.97 117.00 119.47 1opj n LEU 321 Ca 0.07 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 1opj n LEU 321 Cb 0.44 0.26 0.00 0.00 -2.33 0.00 0.00 43.42 41.78 1opj n LEU 321 CO 0.57 0.39 0.00 0.61 -1.33 0.00 0.00 177.39 177.63 1opj n GLY 322 N 2.18 0.28 3.23 -0.72 0.00 -1.14 -5.00 105.19 104.03 1opj n GLY 322 Ca -0.24 -0.92 -0.10 0.00 0.00 0.00 0.00 46.02 44.77 1opj n GLY 322 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1opj s VAL 323 N -2.00 0.09 -0.43 1.61 -7.23 -0.62 -0.69 120.40 111.13 1opj s VAL 323 Ca 0.00 -1.67 0.02 0.00 -1.81 0.00 0.00 61.98 58.52 1opj s VAL 323 Cb 0.00 -1.93 0.15 0.00 0.56 0.00 0.00 36.38 35.16 1opj s VAL 323 CO 0.00 -0.41 0.29 0.00 -0.31 0.00 0.00 175.10 174.67 1opj n THR 325 N 3.28 1.99 -0.12 0.00 -2.24 -1.26 -1.44 114.28 114.49 1opj n THR 325 Ca 0.18 -2.80 -0.16 0.00 -2.27 0.00 0.00 64.05 59.00 1opj n THR 325 Cb 0.40 -0.18 -0.12 0.00 -2.10 0.00 0.00 70.33 68.33 1opj n THR 325 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1opj n ARG 326 N -1.14 0.65 -4.25 -0.78 1.74 -1.26 -4.98 116.66 106.64 1opj n ARG 326 Ca 0.17 0.13 -0.17 0.00 -0.77 0.00 0.00 57.85 57.21 1opj n ARG 326 Cb 0.69 -1.50 -0.14 0.00 -1.02 0.00 0.00 32.46 30.50 1opj n ARG 326 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1opj s GLU 327 N -2.49 0.64 0.59 5.56 8.01 -1.26 -5.13 118.70 124.61 1opj s GLU 327 Ca -0.31 -0.43 -0.16 0.00 0.01 0.00 0.00 54.97 54.09 1opj s GLU 327 Cb 0.08 -0.58 -0.04 0.00 -4.31 0.00 0.00 34.13 29.28 1opj s GLU 327 CO 0.60 0.15 1.06 -2.14 0.01 0.00 0.00 175.26 174.94 1opj s PRO 328 N -0.58 3.31 0.06 0.39 0.02 -1.26 -3.99 135.00 132.95 1opj s PRO 328 Ca 0.00 1.21 -0.30 0.00 0.02 0.00 0.00 61.00 61.93 1opj s PRO 328 Cb -0.05 -2.03 -0.05 0.00 0.02 0.00 0.00 34.50 32.39 1opj s PRO 328 CO 0.00 -0.82 1.09 -2.14 -0.33 0.00 0.00 177.00 174.79 1opj s PRO 329 N -4.07 4.52 0.54 5.54 0.02 -1.26 -5.12 135.00 135.17 1opj s PRO 329 Ca 0.64 1.61 -0.21 0.00 0.02 0.00 0.00 61.00 63.06 1opj s PRO 329 Cb -0.16 -3.38 -0.05 0.00 0.02 0.00 0.00 34.50 30.92 1opj s PRO 329 CO 0.37 -0.10 1.22 -0.06 -0.33 0.00 0.00 177.00 178.10 1opj s PHE 330 N 0.80 2.53 0.09 6.54 0.40 -1.26 -4.95 117.98 122.14 1opj s PHE 330 Ca 0.54 1.49 0.06 0.00 -0.60 0.00 0.00 56.93 58.42 1opj s PHE 330 Cb -0.26 -3.51 -0.03 0.00 0.51 0.00 0.00 43.02 39.73 1opj s PHE 330 CO 0.29 -2.11 -0.15 0.71 0.70 0.00 0.00 175.22 174.66 1opj s TYR 331 N -1.53 1.35 -0.16 0.36 4.12 -0.52 -4.23 117.35 116.74 1opj s TYR 331 Ca 0.72 -0.47 -0.02 0.00 0.02 0.00 0.00 57.07 57.31 1opj s TYR 331 Cb -0.32 -0.74 0.05 0.00 -1.52 0.00 0.00 41.96 39.43 1opj s TYR 331 CO 0.36 0.10 0.02 0.42 0.02 0.00 0.00 175.55 176.47 1opj s ILE 332 N -1.41 0.54 -0.13 2.71 1.01 -0.74 -1.38 121.20 121.80 1opj s ILE 332 Ca 0.01 -0.41 -0.04 0.00 0.00 0.00 0.00 60.65 60.22 1opj s ILE 332 Cb -0.09 -0.94 -0.03 0.00 0.01 0.00 0.00 42.46 41.41 1opj s ILE 332 CO 0.03 -0.07 -0.00 -0.63 0.00 0.00 0.00 174.94 174.26 1opj s ILE 333 N 1.86 4.23 0.19 2.92 1.09 0.14 -1.22 121.20 130.41 1opj s ILE 333 Ca 0.01 -0.25 -0.00 0.00 -1.10 0.00 0.00 60.65 59.30 1opj s ILE 333 Cb -0.16 -2.83 -0.04 0.00 -1.06 0.00 0.00 42.46 38.37 1opj s ILE 333 CO -0.07 0.54 0.09 0.42 -0.10 0.00 0.00 174.94 175.81 1opj s THR 334 N -0.18 0.21 0.46 2.92 -4.23 -0.49 0.24 115.64 114.57 1opj s THR 334 Ca 0.05 -1.97 -0.22 0.00 -1.18 0.00 0.00 61.69 58.36 1opj s THR 334 Cb -0.13 -2.35 -0.08 0.00 1.34 0.00 0.00 72.50 71.29 1opj s THR 334 CO 0.02 -0.19 1.10 -0.70 -0.54 0.00 0.00 174.62 174.31 1opj s GLU 335 N -4.07 3.82 -0.04 3.99 2.12 -1.24 -0.04 118.70 123.24 1opj s GLU 335 Ca 0.33 1.58 -0.27 0.00 0.36 0.00 0.00 54.97 56.97 1opj s GLU 335 Cb 0.07 -2.31 -0.03 0.00 0.26 0.00 0.00 34.13 32.12 1opj s GLU 335 CO 0.08 -0.45 0.87 0.12 -0.54 0.00 0.00 175.26 175.34 1opj s PHE 336 N -1.71 3.61 -0.24 5.30 5.36 -1.15 -4.47 117.98 124.68 1opj s PHE 336 Ca 0.64 1.51 -0.15 0.00 -0.96 0.00 0.00 56.93 57.96 1opj s PHE 336 Cb -0.23 -3.01 -0.04 0.00 -0.34 0.00 0.00 43.02 39.41 1opj s PHE 336 CO 0.28 -0.00 0.39 -1.64 -1.46 0.00 0.00 175.22 172.79 1opj s MET 337 N 1.06 4.08 0.15 10.12 -1.94 -1.26 -4.95 119.30 126.56 1opj s MET 337 Ca 0.46 0.12 -0.29 0.00 -1.71 0.00 0.00 55.69 54.27 1opj s MET 337 Cb -0.19 -3.61 -0.04 0.00 2.01 0.00 0.00 34.83 33.00 1opj s MET 337 CO 0.23 -0.18 1.55 1.15 -0.01 0.00 0.00 175.02 177.76 1opj h THR 338 N 5.24 0.03 -0.14 2.05 2.02 -1.90 -2.75 112.91 117.47 1opj h THR 338 Ca -0.33 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.85 1opj h THR 338 Cb 1.16 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.60 1opj h THR 338 CO 0.68 0.00 0.00 -1.22 0.37 0.00 0.00 175.52 175.35 1opj n TYR 339 N -5.37 0.19 -4.42 3.16 4.02 0.31 -5.02 117.16 110.02 1opj n TYR 339 Ca -0.00 -0.09 0.00 0.00 -0.01 0.00 0.00 57.90 57.79 1opj n TYR 339 Cb 0.33 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.65 1opj n TYR 339 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1opj n GLY 340 N 0.79 -0.48 3.77 2.72 0.00 -1.04 -4.66 105.19 106.29 1opj n GLY 340 Ca 0.07 -1.11 -0.37 0.00 0.00 0.00 0.00 46.02 44.61 1opj n GLY 340 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1opj s ASN 341 N -4.00 6.35 0.43 1.61 2.20 -1.26 -0.72 114.94 119.55 1opj s ASN 341 Ca 0.00 2.25 0.09 0.00 -0.94 0.00 0.00 52.86 54.27 1opj s ASN 341 Cb 0.00 -2.60 0.95 0.00 -2.00 0.00 0.00 41.25 37.60 1opj s ASN 341 CO 0.00 -0.79 2.06 0.25 -2.94 0.00 0.00 177.10 175.69 1opj h LEU 342 N 2.23 0.38 0.48 3.54 5.85 -0.49 -1.56 115.31 125.75 1opj h LEU 342 Ca -0.49 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.20 1opj h LEU 342 Cb 1.24 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.18 1opj h LEU 342 CO 0.61 0.27 -0.23 0.25 -0.34 0.00 0.00 178.44 179.00 1opj h LEU 343 N 0.45 -0.54 -0.92 2.25 5.85 -1.79 0.10 115.31 120.71 1opj h LEU 343 Ca 0.14 -0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.76 1opj h LEU 343 Cb 0.02 0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.16 1opj h LEU 343 CO -0.03 -0.23 0.42 0.44 -0.34 0.00 0.00 178.44 178.71 1opj h ASP 344 N -0.88 1.08 -0.13 1.25 3.32 -1.89 -1.18 116.42 117.99 1opj h ASP 344 Ca -0.07 -0.12 0.04 0.00 0.02 0.00 0.00 57.03 56.90 1opj h ASP 344 Cb 0.58 -0.28 -0.04 0.00 0.22 0.00 0.00 39.33 39.82 1opj h ASP 344 CO 0.11 0.90 -0.09 0.22 -1.72 0.00 0.00 179.24 178.65 1opj h TYR 345 N 1.19 -0.23 -0.60 4.55 3.20 -1.16 0.41 116.97 124.34 1opj h TYR 345 Ca 0.29 0.02 0.01 0.00 3.14 0.00 0.00 58.73 62.19 1opj h TYR 345 Cb 0.09 0.12 -0.03 0.00 1.54 0.00 0.00 36.73 38.45 1opj h TYR 345 CO 0.01 -0.14 0.40 -0.07 -1.64 0.00 0.00 178.16 176.71 1opj h LEU 346 N -0.10 0.68 -0.22 2.82 3.38 -0.35 0.19 115.31 121.71 1opj h LEU 346 Ca 0.08 -0.02 -0.22 0.00 0.09 0.00 0.00 57.88 57.82 1opj h LEU 346 Cb 0.22 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1opj h LEU 346 CO -0.19 0.49 -0.88 0.03 0.09 0.00 0.00 178.44 177.98 1opj h ARG 347 N 0.80 0.46 -0.03 1.13 3.08 0.01 -3.31 114.38 116.52 1opj h ARG 347 Ca 0.22 -0.45 0.00 0.00 0.07 0.00 0.00 59.98 59.82 1opj h ARG 347 Cb -0.08 0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.09 1opj h ARG 347 CO -0.05 1.10 -0.09 0.39 -1.07 0.00 0.00 179.97 180.24 1opj n GLU 348 N -3.79 2.02 -1.51 0.04 1.02 0.13 -5.00 120.64 113.55 1opj n GLU 348 Ca -0.06 -1.62 -0.30 0.00 -0.02 0.00 0.00 57.16 55.15 1opj n GLU 348 Cb 0.80 -1.47 0.10 0.00 -0.02 0.00 0.00 31.44 30.85 1opj n GLU 348 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1opj s ASN 350 N -3.84 6.27 0.00 0.00 3.84 -1.26 -4.93 114.94 115.02 1opj s ASN 350 Ca 0.61 -0.60 0.03 0.00 0.21 0.00 0.00 52.86 53.11 1opj s ASN 350 Cb -0.15 -2.30 0.17 0.00 -0.55 0.00 0.00 41.25 38.42 1opj s ASN 350 CO 0.55 -0.80 0.50 0.54 -2.79 0.00 0.00 177.10 175.09 1opj n ARG 351 N 6.17 0.15 -0.05 0.43 1.74 -1.26 -1.24 116.66 122.60 1opj n ARG 351 Ca -0.04 0.00 -0.20 0.00 -0.77 0.00 0.00 57.85 56.84 1opj n ARG 351 Cb 0.47 -1.29 -0.13 0.00 -1.02 0.00 0.00 32.46 30.49 1opj n ARG 351 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1opj n GLN 352 N -0.79 0.71 0.04 5.56 1.13 -1.26 -3.77 117.38 119.00 1opj n GLN 352 Ca 0.02 0.21 -0.11 0.00 -1.94 0.00 0.00 57.00 55.18 1opj n GLN 352 Cb 0.01 -1.63 0.01 0.00 0.11 0.00 0.00 30.24 28.74 1opj n GLN 352 CO 0.00 0.00 0.00 1.49 -1.44 0.00 0.00 177.06 177.11 1opj h GLU 353 N 0.04 0.46 -2.98 -1.09 4.81 -1.59 -3.35 114.58 110.88 1opj h GLU 353 Ca -0.49 -0.38 -0.72 0.00 -0.13 0.00 0.00 59.36 57.64 1opj h GLU 353 Cb 1.98 0.08 -0.34 0.00 0.63 0.00 0.00 28.75 31.10 1opj h GLU 353 CO 0.01 1.01 0.10 0.28 -0.73 0.00 0.00 179.01 179.69 1opj n VAL 354 N -3.85 3.68 -2.04 0.32 0.31 -0.59 -4.89 118.33 111.28 1opj n VAL 354 Ca -0.05 -5.40 -0.12 0.00 -0.01 0.00 0.00 64.34 58.76 1opj n VAL 354 Cb 0.72 -2.25 0.07 0.00 -0.91 0.00 0.00 33.84 31.47 1opj n VAL 354 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1opj n SER 355 N 1.74 0.42 -0.31 4.52 3.41 -1.25 -4.63 113.62 117.51 1opj n SER 355 Ca 0.25 -1.43 0.09 0.00 -0.26 0.00 0.00 58.87 57.52 1opj n SER 355 Cb 0.37 -0.39 0.25 0.00 -0.26 0.00 0.00 64.21 64.18 1opj n SER 355 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1opj h ALA 356 N -1.07 1.38 -0.88 7.33 0.00 -1.95 -0.64 119.26 123.44 1opj h ALA 356 Ca -0.18 0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.82 1opj h ALA 356 Cb 0.59 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 1opj h ALA 356 CO 0.16 -0.07 0.58 0.28 0.00 0.00 0.00 179.25 180.20 1opj h VAL 357 N 0.67 1.23 -0.44 0.00 2.07 -1.93 0.61 116.25 118.46 1opj h VAL 357 Ca 0.49 -0.43 -0.13 0.00 0.82 0.00 0.00 66.70 67.46 1opj h VAL 357 Cb 0.71 -0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 1opj h VAL 357 CO -0.37 0.22 -0.23 0.58 0.02 0.00 0.00 177.57 177.79 1opj h VAL 358 N 1.20 1.27 -0.62 2.57 2.07 -1.50 -2.02 116.25 119.23 1opj h VAL 358 Ca 0.32 -1.38 -0.07 0.00 0.82 0.00 0.00 66.70 66.39 1opj h VAL 358 Cb -0.13 1.17 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 1opj h VAL 358 CO -0.07 0.47 0.10 -0.07 0.02 0.00 0.00 177.57 178.02 1opj h LEU 359 N 0.79 0.99 -0.89 2.57 3.38 -0.68 0.07 115.31 121.54 1opj h LEU 359 Ca 0.10 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.81 1opj h LEU 359 Cb 0.79 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.23 1opj h LEU 359 CO 0.07 1.00 0.57 0.25 0.09 0.00 0.00 178.44 180.42 1opj h LEU 360 N 0.94 1.04 -0.53 1.67 5.85 -0.77 0.33 115.31 123.84 1opj h LEU 360 Ca 0.19 -0.04 -0.08 0.00 0.84 0.00 0.00 57.88 58.79 1opj h LEU 360 Cb 0.44 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 1opj h LEU 360 CO 0.01 0.77 0.01 0.22 -0.34 0.00 0.00 178.44 179.11 1opj h TYR 361 N 1.22 1.01 -0.59 1.25 3.20 -0.80 0.39 116.97 122.64 1opj h TYR 361 Ca 0.32 -0.17 -0.10 0.00 3.14 0.00 0.00 58.73 61.92 1opj h TYR 361 Cb -0.11 -0.26 -0.02 0.00 1.54 0.00 0.00 36.73 37.87 1opj h TYR 361 CO -0.01 0.92 -0.04 0.52 -1.64 0.00 0.00 178.16 177.92 1opj h MET 362 N 0.80 1.06 -0.30 1.82 2.86 -0.51 -1.04 114.93 119.62 1opj h MET 362 Ca 0.15 -0.36 -0.11 0.00 -2.06 0.00 0.00 59.70 57.32 1opj h MET 362 Cb 0.51 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.07 1opj h MET 362 CO 0.02 1.06 -0.28 0.00 1.06 0.00 0.00 176.91 178.78 1opj h ALA 363 N 0.97 0.95 -0.40 6.32 0.00 -0.72 -2.19 119.26 124.19 1opj h ALA 363 Ca 0.16 -0.38 -0.06 0.00 0.00 0.00 0.00 54.91 54.64 1opj h ALA 363 Cb 0.60 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1opj h ALA 363 CO 0.04 0.61 0.03 1.15 0.00 0.00 0.00 179.25 181.07 1opj h THR 364 N 0.53 1.25 -0.59 0.00 2.02 -0.68 -1.32 112.91 114.13 1opj h THR 364 Ca 0.07 -0.95 0.01 0.00 0.77 0.00 0.00 66.41 66.30 1opj h THR 364 Cb 0.75 1.09 -0.03 0.00 -1.74 0.00 0.00 68.15 68.22 1opj h THR 364 CO 0.06 0.32 0.39 1.56 0.37 0.00 0.00 175.52 178.22 1opj h GLN 365 N 0.52 0.78 -0.57 6.66 4.20 -0.99 -0.14 115.11 125.58 1opj h GLN 365 Ca 0.12 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.76 1opj h GLN 365 Cb 0.43 -0.17 -0.03 0.00 0.30 0.00 0.00 27.48 28.01 1opj h GLN 365 CO 0.01 0.52 0.30 0.82 -0.67 0.00 0.00 178.83 179.81 1opj h ILE 366 N 0.80 1.19 0.00 2.54 2.04 -1.24 -1.13 117.51 121.72 1opj h ILE 366 Ca 0.22 -0.51 -0.05 0.00 1.00 0.00 0.00 64.86 65.51 1opj h ILE 366 Cb -0.09 0.49 -0.01 0.00 -0.74 0.00 0.00 36.82 36.47 1opj h ILE 366 CO -0.05 0.21 -0.25 0.77 0.00 0.00 0.00 178.15 178.83 1opj h SER 367 N 0.76 0.00 -0.34 1.72 4.64 -0.76 -1.28 113.55 118.30 1opj h SER 367 Ca 0.20 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.43 1opj h SER 367 Cb 0.07 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.15 1opj h SER 367 CO -0.03 0.25 -0.12 -1.28 -0.87 0.00 0.00 176.83 174.79 1opj h SER 368 N 0.00 0.69 -0.77 4.97 0.87 -0.18 0.11 113.55 119.25 1opj h SER 368 Ca -0.00 -0.38 -0.05 0.00 -1.23 0.00 0.00 61.79 60.13 1opj h SER 368 Cb 0.45 -0.19 -0.03 0.00 -0.44 0.00 0.00 62.40 62.19 1opj h SER 368 CO 0.03 0.92 0.30 0.00 -0.53 0.00 0.00 176.83 177.55 1opj h ALA 369 N 0.80 1.06 -0.06 6.23 0.00 -0.57 -2.16 119.26 124.57 1opj h ALA 369 Ca 0.08 -0.20 -0.15 0.00 0.00 0.00 0.00 54.91 54.64 1opj h ALA 369 Cb 0.63 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1opj h ALA 369 CO 0.04 0.66 -0.65 0.52 0.00 0.00 0.00 179.25 179.82 1opj h MET 370 N 1.13 0.24 -0.56 0.00 2.86 -1.12 -1.46 114.93 116.02 1opj h MET 370 Ca 0.26 -0.18 -0.02 0.00 -2.06 0.00 0.00 59.70 57.70 1opj h MET 370 Cb 0.23 0.03 -0.03 0.00 0.06 0.00 0.00 31.60 31.89 1opj h MET 370 CO -0.02 0.80 0.28 1.49 1.06 0.00 0.00 176.91 180.52 1opj h GLU 371 N 0.17 0.78 -0.07 1.72 4.81 -0.35 0.18 114.58 121.82 1opj h GLU 371 Ca -0.01 -0.09 -0.02 0.00 -0.13 0.00 0.00 59.36 59.10 1opj h GLU 371 Cb 1.17 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 30.40 1opj h GLU 371 CO 0.10 0.60 -0.04 -0.92 -0.73 0.00 0.00 179.01 178.02 1opj h TYR 372 N 0.78 0.17 -0.98 0.92 3.20 -1.00 0.27 116.97 120.33 1opj h TYR 372 Ca 0.20 -0.05 0.01 0.00 3.14 0.00 0.00 58.73 62.03 1opj h TYR 372 Cb 0.07 -0.04 -0.05 0.00 1.54 0.00 0.00 36.73 38.25 1opj h TYR 372 CO 0.01 0.55 0.65 -0.07 -1.64 0.00 0.00 178.16 177.66 1opj h LEU 373 N -0.26 1.12 -0.25 2.82 3.38 -0.99 0.60 115.31 121.73 1opj h LEU 373 Ca 0.01 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1opj h LEU 373 Cb 0.51 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1opj h LEU 373 CO 0.01 0.81 0.16 -0.08 0.09 0.00 0.00 178.44 179.43 1opj h GLU 374 N 1.32 0.34 -0.77 1.13 4.81 -0.47 0.20 114.58 121.14 1opj h GLU 374 Ca 0.36 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.55 1opj h GLU 374 Cb -0.15 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.12 1opj h GLU 374 CO -0.08 0.25 0.41 -0.22 -0.73 0.00 0.00 179.01 178.63 1opj h LYS 375 N 0.33 1.09 -0.33 1.92 3.64 -0.35 -2.45 116.57 120.42 1opj h LYS 375 Ca 0.09 -0.14 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1opj h LYS 375 Cb -0.01 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 31.60 1opj h LYS 375 CO -0.02 0.82 0.00 1.63 -2.27 0.00 0.00 179.45 179.61 1opj n LYS 376 N -4.42 1.38 -2.81 1.90 4.76 0.15 -4.90 118.16 114.23 1opj n LYS 376 Ca 0.07 -0.47 -0.21 0.00 -2.87 0.00 0.00 58.31 54.84 1opj n LYS 376 Cb 0.11 -1.24 0.01 0.00 -1.84 0.00 0.00 35.03 32.07 1opj n LYS 376 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1opj n ASN 377 N -0.07 -5.43 -4.90 4.39 3.02 -0.72 -5.00 115.26 106.55 1opj n ASN 377 Ca 0.04 -0.15 -0.21 0.00 -0.03 0.00 0.00 54.58 54.23 1opj n ASN 377 Cb 0.18 -4.46 -0.03 0.00 -0.61 0.00 0.00 39.78 34.87 1opj n ASN 377 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1opj s PHE 378 N -3.03 3.16 -0.02 3.10 0.40 0.61 -5.02 117.98 117.19 1opj s PHE 378 Ca 0.19 -0.15 0.04 0.00 -0.60 0.00 0.00 56.93 56.41 1opj s PHE 378 Cb -0.09 -1.64 -0.01 0.00 0.51 0.00 0.00 43.02 41.79 1opj s PHE 378 CO 0.23 0.33 -0.13 0.42 0.70 0.00 0.00 175.22 176.77 1opj s ILE 379 N -2.14 1.02 -0.11 0.64 1.01 -1.26 -4.25 121.20 116.11 1opj s ILE 379 Ca 0.37 -0.53 -0.13 0.00 0.00 0.00 0.00 60.65 60.36 1opj s ILE 379 Cb -0.08 -0.86 -0.11 0.00 0.01 0.00 0.00 42.46 41.42 1opj s ILE 379 CO 0.28 0.29 0.35 -0.74 0.00 0.00 0.00 174.94 175.12 1opj h HIS 380 N 5.97 -0.02 0.00 3.97 -0.00 -1.96 -3.48 115.15 119.62 1opj h HIS 380 Ca -0.33 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.04 1opj h HIS 380 Cb 1.17 0.01 0.00 0.00 -0.00 0.00 0.00 27.41 28.58 1opj h HIS 380 CO 0.41 0.40 0.00 0.54 -0.00 0.00 0.00 177.93 179.28 1opj n ARG 381 N -4.73 0.00 -2.74 5.26 1.74 -1.26 -4.83 116.66 110.10 1opj n ARG 381 Ca -0.04 0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 56.94 1opj n ARG 381 Cb 0.20 -0.70 0.05 0.00 -1.02 0.00 0.00 32.46 31.00 1opj n ARG 381 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1opj n ASP 382 N 0.00 0.09 -4.71 0.55 2.03 -1.26 -5.05 116.55 108.20 1opj n ASP 382 Ca 0.00 -2.74 -0.42 0.00 0.52 0.00 0.00 54.79 52.15 1opj n ASP 382 Cb 0.00 0.10 -0.03 0.00 -0.72 0.00 0.00 41.12 40.47 1opj n ASP 382 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 1opj s LEU 383 N -3.00 4.37 -0.13 -2.67 2.96 -1.26 -4.78 118.68 114.16 1opj s LEU 383 Ca 0.27 1.99 -0.33 0.00 -0.22 0.00 0.00 54.13 55.83 1opj s LEU 383 Cb 0.42 -3.58 0.13 0.00 0.50 0.00 0.00 46.19 43.66 1opj s LEU 383 CO -0.02 -0.46 1.17 0.00 -1.32 0.00 0.00 176.35 175.72 1opj s ALA 384 N 1.10 -2.05 0.34 5.97 0.00 -1.26 -4.73 121.76 121.13 1opj s ALA 384 Ca 0.58 1.37 0.02 0.00 0.00 0.00 0.00 51.96 53.93 1opj s ALA 384 Cb -0.29 0.03 0.60 0.00 0.00 0.00 0.00 23.12 23.47 1opj s ALA 384 CO 0.29 -0.67 1.99 0.00 0.00 0.00 0.00 175.76 177.36 1opj h ALA 385 N 2.00 1.50 0.00 0.00 0.00 -1.93 -0.08 119.26 120.75 1opj h ALA 385 Ca -0.14 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 1opj h ALA 385 Cb 1.18 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.72 1opj h ALA 385 CO 0.25 0.44 -0.00 0.07 0.00 0.00 0.00 179.25 180.00 1opj h ARG 386 N 0.85 0.00 -0.55 0.00 0.11 -1.96 -0.77 114.38 112.06 1opj h ARG 386 Ca 0.23 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.31 1opj h ARG 386 Cb -0.05 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.03 1opj h ARG 386 CO -0.04 0.00 0.00 0.09 0.10 0.00 0.00 179.97 180.12 1opj n ASN 387 N -3.33 5.55 -4.43 0.08 3.02 -0.05 -4.80 115.26 111.30 1opj n ASN 387 Ca -0.03 -2.92 -0.28 0.00 -0.03 0.00 0.00 54.58 51.32 1opj n ASN 387 Cb 0.08 -0.67 -0.12 0.00 -0.61 0.00 0.00 39.78 38.46 1opj n ASN 387 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1opj s LEU 389 N -2.42 2.31 -0.15 0.00 1.02 0.06 -0.06 118.68 119.46 1opj s LEU 389 Ca 0.18 -0.74 0.01 0.00 0.02 0.00 0.00 54.13 53.61 1opj s LEU 389 Cb -0.09 -1.22 0.00 0.00 0.02 0.00 0.00 46.19 44.90 1opj s LEU 389 CO 0.09 0.19 -0.19 -0.69 0.02 0.00 0.00 176.35 175.77 1opj s VAL 390 N -1.04 2.36 0.00 -1.59 1.01 0.10 -1.08 120.40 120.16 1opj s VAL 390 Ca 0.14 -0.88 0.00 0.00 0.00 0.00 0.00 61.98 61.24 1opj s VAL 390 Cb -0.10 -1.97 0.00 0.00 0.00 0.00 0.00 36.38 34.31 1opj s VAL 390 CO 0.06 0.53 0.00 0.61 0.00 0.00 0.00 175.10 176.30 1opj n GLY 391 N 4.04 4.50 3.78 4.51 0.00 0.68 -0.53 105.19 122.17 1opj n GLY 391 Ca -0.19 -2.05 -0.32 0.00 0.00 0.00 0.00 46.02 43.46 1opj n GLY 391 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1opj s GLU 392 N 1.75 2.68 -1.48 1.61 0.41 -1.26 -3.83 118.70 118.57 1opj s GLU 392 Ca 0.00 1.19 -0.07 0.00 -0.41 0.00 0.00 54.97 55.68 1opj s GLU 392 Cb 0.00 -1.95 0.02 0.00 -1.78 0.00 0.00 34.13 30.43 1opj s GLU 392 CO 0.00 -1.32 0.66 0.09 -0.49 0.00 0.00 175.26 174.20 1opj n ASN 393 N -2.96 -5.59 -1.77 -0.19 3.02 -1.26 -1.69 115.26 104.82 1opj n ASN 393 Ca 0.09 -0.36 -0.19 0.00 -0.03 0.00 0.00 54.58 54.09 1opj n ASN 393 Cb 0.53 -4.52 -0.05 0.00 -0.61 0.00 0.00 39.78 35.12 1opj n ASN 393 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1opj n HIS 394 N -4.45 -0.36 -2.44 3.10 8.25 -1.25 -4.96 115.22 113.10 1opj n HIS 394 Ca -0.07 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 56.98 1opj n HIS 394 Cb 0.59 -3.46 -0.04 0.00 1.12 0.00 0.00 29.99 28.20 1opj n HIS 394 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 1opj s LEU 395 N -4.87 4.46 -0.03 2.41 2.96 -0.68 -4.78 118.68 118.16 1opj s LEU 395 Ca 0.00 2.16 0.05 0.00 -0.22 0.00 0.00 54.13 56.13 1opj s LEU 395 Cb 0.00 -3.60 -0.01 0.00 0.50 0.00 0.00 46.19 43.07 1opj s LEU 395 CO 0.00 -0.31 -0.18 -0.69 -1.32 0.00 0.00 176.35 173.85 1opj s VAL 396 N -0.12 1.46 0.00 1.68 1.01 -1.26 -0.23 120.40 122.94 1opj s VAL 396 Ca 0.51 -0.77 0.04 0.00 0.00 0.00 0.00 61.98 61.77 1opj s VAL 396 Cb -0.31 -1.23 -0.01 0.00 0.00 0.00 0.00 36.38 34.83 1opj s VAL 396 CO 0.36 0.42 -0.13 -0.54 0.00 0.00 0.00 175.10 175.20 1opj s LYS 397 N -0.26 1.02 0.07 2.72 1.02 -0.24 -4.59 119.74 119.48 1opj s LYS 397 Ca 0.03 -0.53 -0.26 0.00 0.02 0.00 0.00 55.97 55.23 1opj s LYS 397 Cb -0.09 -1.00 -0.06 0.00 -0.52 0.00 0.00 37.83 36.17 1opj s LYS 397 CO 0.00 0.27 0.81 0.08 -0.92 0.00 0.00 175.35 175.59 1opj s VAL 398 N -0.42 4.65 0.37 3.17 1.01 0.21 -0.76 120.40 128.63 1opj s VAL 398 Ca 0.04 1.74 0.04 0.00 0.00 0.00 0.00 61.98 63.81 1opj s VAL 398 Cb -0.06 -4.17 -0.02 0.00 0.00 0.00 0.00 36.38 32.14 1opj s VAL 398 CO -0.00 0.37 0.16 0.00 0.00 0.00 0.00 175.10 175.62 1opj n ALA 399 N 2.70 0.56 -3.34 5.51 0.00 -0.06 -1.82 120.51 124.07 1opj n ALA 399 Ca -0.02 -1.93 -0.12 0.00 0.00 0.00 0.00 53.44 51.37 1opj n ALA 399 Cb 0.50 1.35 -0.07 0.00 0.00 0.00 0.00 19.45 21.22 1opj n ALA 399 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1opj s ASP 400 N -3.33 0.82 0.00 0.00 2.15 -1.26 -4.72 116.67 110.32 1opj s ASP 400 Ca 0.22 -0.67 0.24 0.00 0.43 0.00 0.00 52.55 52.78 1opj s ASP 400 Cb 0.01 0.88 1.09 0.00 -0.30 0.00 0.00 42.92 44.61 1opj s ASP 400 CO 0.16 -0.35 1.75 0.49 -0.17 0.00 0.00 175.17 177.05 1opj n PHE 401 N 5.17 0.07 -3.62 -5.34 0.99 -1.26 -4.94 117.46 108.53 1opj n PHE 401 Ca 0.02 -0.04 -0.25 0.00 -0.00 0.00 0.00 57.45 57.17 1opj n PHE 401 Cb 0.48 0.00 0.04 0.00 -1.00 0.00 0.00 39.48 39.00 1opj n PHE 401 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1opj n GLY 402 N 1.06 -0.79 0.16 1.37 0.00 -1.26 -4.91 105.19 100.82 1opj n GLY 402 Ca 0.18 0.38 0.06 0.00 0.00 0.00 0.00 46.02 46.64 1opj n GLY 402 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1opj h LEU 403 N -1.73 0.00 -0.94 0.99 3.38 -1.95 -3.40 115.31 111.66 1opj h LEU 403 Ca -0.64 0.00 0.35 0.00 0.09 0.00 0.00 57.88 57.68 1opj h LEU 403 Cb 1.35 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.98 1opj h LEU 403 CO 0.50 0.31 0.57 -1.54 0.09 0.00 0.00 178.44 178.37 1opj n SER 404 N -3.12 0.21 -0.34 -0.43 3.41 -1.26 0.40 113.62 112.48 1opj n SER 404 Ca 0.02 1.17 0.05 0.00 -0.26 0.00 0.00 58.87 59.85 1opj n SER 404 Cb 0.66 -0.57 0.12 0.00 -0.26 0.00 0.00 64.21 64.16 1opj n SER 404 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1opj n ARG 405 N -4.46 2.56 -0.05 4.33 1.74 -1.26 -4.67 116.66 114.85 1opj n ARG 405 Ca 0.30 -2.14 -0.08 0.00 -0.77 0.00 0.00 57.85 55.16 1opj n ARG 405 Cb 1.12 -1.34 -0.04 0.00 -1.02 0.00 0.00 32.46 31.18 1opj n ARG 405 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1opj n LEU 406 N -0.46 1.88 -4.56 0.55 4.77 0.16 -4.90 117.00 114.44 1opj n LEU 406 Ca 0.11 0.03 -0.32 0.00 -0.03 0.00 0.00 56.01 55.80 1opj n LEU 406 Cb 0.51 -0.30 -0.04 0.00 -2.33 0.00 0.00 43.42 41.25 1opj n LEU 406 CO 0.05 0.43 1.47 -0.32 -1.33 0.00 0.00 177.39 177.69 1opj s MET 407 N -2.18 2.58 -1.34 3.23 1.75 -0.41 -4.88 119.30 118.05 1opj s MET 407 Ca -0.13 0.13 -0.14 0.00 -1.25 0.00 0.00 55.69 54.31 1opj s MET 407 Cb 0.04 -4.75 0.09 0.00 2.84 0.00 0.00 34.83 33.06 1opj s MET 407 CO 0.19 -3.08 1.90 0.25 -0.65 0.00 0.00 175.02 173.63 1opj n THR 408 N 7.57 3.89 -0.50 10.11 -2.24 -1.26 -4.66 114.28 127.19 1opj n THR 408 Ca 0.31 -3.86 0.00 0.00 -2.27 0.00 0.00 64.05 58.23 1opj n THR 408 Cb 0.49 -2.46 0.00 0.00 -2.10 0.00 0.00 70.33 66.26 1opj n THR 408 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1opj n GLY 409 N 4.19 5.61 0.67 3.38 0.00 -1.26 -5.03 105.19 112.74 1opj n GLY 409 Ca 0.46 -0.94 0.07 0.00 0.00 0.00 0.00 46.02 45.61 1opj n GLY 409 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1opj n ASP 410 N 0.00 3.29 -0.03 1.61 4.64 -1.26 -4.64 116.55 120.16 1opj n ASP 410 Ca 0.00 -2.61 -0.12 0.00 -1.38 0.00 0.00 54.79 50.67 1opj n ASP 410 Cb 0.00 -0.39 -0.10 0.00 -1.04 0.00 0.00 41.12 39.58 1opj n ASP 410 CO 0.00 0.00 0.00 0.74 -0.82 0.00 0.00 177.20 177.12 1opj h THR 411 N 1.58 1.41 -3.33 5.18 2.02 -1.95 -3.44 112.91 114.39 1opj h THR 411 Ca 0.00 -1.70 -0.62 0.00 0.77 0.00 0.00 66.41 64.85 1opj h THR 411 Cb 1.10 2.50 -0.18 0.00 -1.74 0.00 0.00 68.15 69.83 1opj h THR 411 CO 0.11 0.42 -0.60 -0.31 0.37 0.00 0.00 175.52 175.51 1opj s TYR 412 N -2.99 3.17 0.12 3.16 1.51 -1.26 -3.98 117.35 117.08 1opj s TYR 412 Ca -0.16 -0.08 0.05 0.00 -1.01 0.00 0.00 57.07 55.87 1opj s TYR 412 Cb -0.01 -2.06 -0.04 0.00 -0.11 0.00 0.00 41.96 39.74 1opj s TYR 412 CO 0.61 0.05 -0.12 0.95 -1.11 0.00 0.00 175.55 175.93 1opj s THR 413 N 0.49 1.18 0.21 -0.71 -4.23 -0.61 -4.83 115.64 107.14 1opj s THR 413 Ca 0.01 -1.80 -0.32 0.00 -1.18 0.00 0.00 61.69 58.40 1opj s THR 413 Cb -0.13 -1.57 -0.14 0.00 1.34 0.00 0.00 72.50 72.00 1opj s THR 413 CO 0.01 -0.56 1.44 0.00 -0.54 0.00 0.00 174.62 174.97 1opj n ALA 414 N 0.32 1.03 -3.61 3.99 0.00 -1.26 -1.36 120.51 119.62 1opj n ALA 414 Ca -0.14 0.43 -0.03 0.00 0.00 0.00 0.00 53.44 53.70 1opj n ALA 414 Cb 0.58 -2.28 -0.06 0.00 0.00 0.00 0.00 19.45 17.70 1opj n ALA 414 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1opj s HIS 415 N 0.18 -0.77 -1.45 0.00 5.04 0.13 -4.85 115.29 113.57 1opj s HIS 415 Ca 0.71 1.48 -0.10 0.00 -1.54 0.00 0.00 55.06 55.61 1opj s HIS 415 Cb -0.67 0.46 0.05 0.00 0.04 0.00 0.00 32.58 32.46 1opj s HIS 415 CO 0.47 -0.38 0.99 0.00 -2.34 0.00 0.00 174.74 173.47 1opj n ALA 416 N 4.19 -1.42 -0.05 1.58 0.00 -1.26 -1.02 120.51 122.53 1opj n ALA 416 Ca -0.17 0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1opj n ALA 416 Cb 0.56 -4.27 0.00 0.00 0.00 0.00 0.00 19.45 15.74 1opj n ALA 416 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1opj n GLY 417 N -1.73 1.46 1.36 0.00 0.00 -1.26 -4.92 105.19 100.10 1opj n GLY 417 Ca -0.03 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.89 1opj n GLY 417 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1opj n ALA 418 N 0.53 0.23 -3.43 4.61 0.00 -0.19 -5.09 120.51 117.16 1opj n ALA 418 Ca 0.00 -0.82 -0.35 0.00 0.00 0.00 0.00 53.44 52.27 1opj n ALA 418 Cb 0.00 0.40 -0.14 0.00 0.00 0.00 0.00 19.45 19.71 1opj n ALA 418 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1opj s LYS 419 N -2.74 3.40 0.00 0.00 -0.14 -1.26 0.20 119.74 119.19 1opj s LYS 419 Ca 0.05 -0.62 0.06 0.00 -1.36 0.00 0.00 55.97 54.10 1opj s LYS 419 Cb -0.00 -2.98 -0.03 0.00 -1.68 0.00 0.00 37.83 33.14 1opj s LYS 419 CO 0.03 -0.14 -0.19 -0.06 -0.76 0.00 0.00 175.35 174.24 1opj s PHE 420 N 1.32 2.55 -1.20 3.18 0.40 -0.46 -4.82 117.98 118.95 1opj s PHE 420 Ca 0.04 -0.27 -0.15 0.00 -0.60 0.00 0.00 56.93 55.95 1opj s PHE 420 Cb -0.14 -1.52 0.15 0.00 0.51 0.00 0.00 43.02 42.02 1opj s PHE 420 CO -0.02 0.17 1.46 -1.25 0.70 0.00 0.00 175.22 176.28 1opj s PRO 421 N -1.05 4.04 0.28 0.24 0.04 -1.26 -1.57 135.00 135.72 1opj s PRO 421 Ca 0.13 -2.43 -0.06 0.00 0.04 0.00 0.00 61.00 58.68 1opj s PRO 421 Cb -0.10 -5.13 0.51 0.00 0.04 0.00 0.00 34.50 29.82 1opj s PRO 421 CO 0.02 -1.84 1.57 0.82 0.04 0.00 0.00 177.00 177.61 1opj h ILE 422 N 4.90 0.04 0.00 0.56 1.08 -1.91 -0.62 117.51 121.56 1opj h ILE 422 Ca 0.32 -0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.79 1opj h ILE 422 Cb 0.88 0.03 0.00 0.00 -3.07 0.00 0.00 36.82 34.67 1opj h ILE 422 CO 1.27 0.00 0.00 0.29 -0.69 0.00 0.00 178.15 179.02 1opj n LYS 423 N -5.58 0.13 0.00 2.37 5.02 -1.26 -1.88 118.16 116.97 1opj n LYS 423 Ca 0.17 0.19 0.05 0.00 -2.02 0.00 0.00 58.31 56.70 1opj n LYS 423 Cb 0.54 -1.50 0.01 0.00 -0.02 0.00 0.00 35.03 34.06 1opj n LYS 423 CO 0.00 0.00 0.00 0.91 -0.52 0.00 0.00 177.40 177.79 1opj n TRP 424 N -1.36 0.00 -3.06 2.13 8.01 -0.26 -4.98 117.44 117.92 1opj n TRP 424 Ca 0.05 0.00 -0.40 0.00 -1.31 0.00 0.00 57.50 55.85 1opj n TRP 424 Cb 0.13 0.00 -0.05 0.00 -2.01 0.00 0.00 31.31 29.38 1opj n TRP 424 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.69 177.67 1opj s THR 425 N -1.22 5.00 0.54 -0.99 2.01 -0.78 -4.02 115.64 116.17 1opj s THR 425 Ca 0.09 1.43 -0.21 0.00 0.31 0.00 0.00 61.69 63.30 1opj s THR 425 Cb 0.08 -4.03 -0.05 0.00 0.01 0.00 0.00 72.50 68.51 1opj s THR 425 CO 0.22 0.29 1.32 0.00 -0.69 0.00 0.00 174.62 175.75 1opj s ALA 426 N 0.58 2.80 0.24 7.40 0.00 -1.26 -4.80 121.76 126.71 1opj s ALA 426 Ca 0.37 1.25 -0.05 0.00 0.00 0.00 0.00 51.96 53.53 1opj s ALA 426 Cb -0.18 -3.53 0.41 0.00 0.00 0.00 0.00 23.12 19.82 1opj s ALA 426 CO 0.18 -1.27 1.76 -1.35 0.00 0.00 0.00 175.76 175.08 1opj h PRO 427 N 1.46 0.52 0.00 0.00 0.11 -1.96 -0.20 132.00 131.94 1opj h PRO 427 Ca -0.51 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.53 1opj h PRO 427 Cb 1.29 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 1opj h PRO 427 CO 0.57 0.35 -0.19 1.05 -0.21 0.00 0.00 178.00 179.57 1opj h GLU 428 N 0.54 0.00 -0.08 1.05 9.09 -1.88 -0.30 114.58 123.00 1opj h GLU 428 Ca 0.39 0.00 -0.24 0.00 0.05 0.00 0.00 59.36 59.56 1opj h GLU 428 Cb 0.51 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.63 1opj h GLU 428 CO -0.34 0.19 -0.90 0.77 0.05 0.00 0.00 179.01 178.78 1opj h SER 429 N 0.00 0.91 -0.47 3.06 0.02 -1.03 0.14 113.55 116.18 1opj h SER 429 Ca -0.00 -0.66 -0.11 0.00 -0.84 0.00 0.00 61.79 60.18 1opj h SER 429 Cb 0.46 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.71 1opj h SER 429 CO 0.02 1.46 -0.15 -0.07 -1.14 0.00 0.00 176.83 176.95 1opj h LEU 430 N 0.46 0.94 0.13 5.07 3.38 -0.67 -1.89 115.31 122.72 1opj h LEU 430 Ca -0.09 -0.38 -0.33 0.00 0.09 0.00 0.00 57.88 57.17 1opj h LEU 430 Cb 1.54 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 42.03 1opj h LEU 430 CO 0.18 1.10 -1.77 0.00 0.09 0.00 0.00 178.44 178.04 1opj h ALA 431 N 0.87 0.31 -0.01 1.53 0.00 -1.13 -3.41 119.26 117.42 1opj h ALA 431 Ca 0.11 -1.26 0.00 0.00 0.00 0.00 0.00 54.91 53.76 1opj h ALA 431 Cb 0.71 0.61 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1opj h ALA 431 CO 0.05 1.10 -0.12 0.66 0.00 0.00 0.00 179.25 180.95 1opj n TYR 432 N -3.68 0.00 -1.96 0.00 0.53 -0.00 -4.97 117.16 107.07 1opj n TYR 432 Ca -0.29 0.00 -0.16 0.00 -1.02 0.00 0.00 57.90 56.42 1opj n TYR 432 Cb 0.99 0.00 -0.03 0.00 -1.03 0.00 0.00 39.34 39.27 1opj n TYR 432 CO 0.00 0.00 0.00 -1.71 -1.02 0.00 0.00 176.86 174.13 1opj n ASN 433 N 0.13 -4.92 -4.60 7.72 4.05 -0.71 -4.96 115.26 111.97 1opj n ASN 433 Ca 0.05 0.16 -0.41 0.00 0.45 0.00 0.00 54.58 54.83 1opj n ASN 433 Cb 0.24 -3.97 -0.07 0.00 1.23 0.00 0.00 39.78 37.21 1opj n ASN 433 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 177.26 173.46 1opj s LYS 434 N -4.23 3.88 0.00 1.20 2.47 -0.98 -4.93 119.74 117.16 1opj s LYS 434 Ca 0.00 0.25 0.07 0.00 -1.56 0.00 0.00 55.97 54.73 1opj s LYS 434 Cb 0.00 -3.73 -0.03 0.00 -1.46 0.00 0.00 37.83 32.61 1opj s LYS 434 CO 0.00 -0.57 -0.21 -0.06 0.16 0.00 0.00 175.35 174.67 1opj s PHE 435 N 2.57 2.47 0.31 4.03 0.40 -1.26 -3.16 117.98 123.34 1opj s PHE 435 Ca 0.24 -0.32 -0.11 0.00 -0.60 0.00 0.00 56.93 56.14 1opj s PHE 435 Cb -0.15 -1.50 0.04 0.00 0.51 0.00 0.00 43.02 41.92 1opj s PHE 435 CO 0.12 0.12 0.61 -1.13 0.70 0.00 0.00 175.22 175.64 1opj n SER 436 N 2.06 -1.77 0.24 1.36 3.41 -1.26 -4.96 113.62 112.69 1opj n SER 436 Ca -0.16 -2.27 0.09 0.00 -0.26 0.00 0.00 58.87 56.27 1opj n SER 436 Cb 0.52 2.96 0.60 0.00 -0.26 0.00 0.00 64.21 68.03 1opj n SER 436 CO 0.00 0.00 0.00 -0.29 -0.16 0.00 0.00 175.04 174.59 1opj h ILE 437 N 1.78 0.81 0.00 -1.33 6.09 -1.99 -1.73 117.51 121.14 1opj h ILE 437 Ca -0.26 -0.70 -0.10 0.00 -1.37 0.00 0.00 64.86 62.43 1opj h ILE 437 Cb 0.97 1.42 -0.01 0.00 0.47 0.00 0.00 36.82 39.67 1opj h ILE 437 CO 0.33 0.18 -0.46 0.11 -3.07 0.00 0.00 178.15 175.24 1opj h LYS 438 N 0.00 0.00 0.00 2.19 1.79 -1.94 -0.64 116.57 117.97 1opj h LYS 438 Ca -0.00 0.00 -0.15 0.00 -2.18 0.00 0.00 60.65 58.32 1opj h LYS 438 Cb 0.41 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.03 1opj h LYS 438 CO 0.02 0.46 -0.73 0.66 -1.08 0.00 0.00 179.45 178.78 1opj h SER 439 N 0.00 0.00 -0.31 0.86 4.64 -1.69 -2.35 113.55 114.70 1opj h SER 439 Ca -0.00 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.24 1opj h SER 439 Cb 0.96 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.03 1opj h SER 439 CO 0.06 0.73 -0.07 0.44 -0.87 0.00 0.00 176.83 177.12 1opj h ASP 440 N 0.00 0.69 -0.77 4.97 3.32 -0.87 -1.90 116.42 121.85 1opj h ASP 440 Ca -0.01 -0.18 -0.03 0.00 0.02 0.00 0.00 57.03 56.83 1opj h ASP 440 Cb 1.39 -0.18 -0.04 0.00 0.22 0.00 0.00 39.33 40.72 1opj h ASP 440 CO 0.09 0.81 0.36 0.58 -1.72 0.00 0.00 179.24 179.36 1opj h VAL 441 N 0.66 1.25 -0.09 -1.35 2.07 -0.79 0.29 116.25 118.29 1opj h VAL 441 Ca 0.12 -0.72 0.00 0.00 0.82 0.00 0.00 66.70 66.92 1opj h VAL 441 Cb 0.51 0.29 -0.00 0.00 -1.52 0.00 0.00 31.29 30.57 1opj h VAL 441 CO 0.03 0.30 0.06 -0.25 0.02 0.00 0.00 177.57 177.73 1opj h TRP 442 N 1.10 0.11 -0.79 1.57 2.91 -1.03 -1.04 115.95 118.78 1opj h TRP 442 Ca 0.26 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.29 1opj h TRP 442 Cb 0.14 -0.04 -0.04 0.00 -0.51 0.00 0.00 29.16 28.72 1opj h TRP 442 CO 0.01 0.08 0.51 0.00 -1.03 0.00 0.00 178.44 178.02 1opj h ALA 443 N 1.02 1.42 -0.53 2.65 0.00 -0.86 -0.03 119.26 122.92 1opj h ALA 443 Ca 0.03 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1opj h ALA 443 Cb 0.00 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.44 1opj h ALA 443 CO -0.01 0.53 0.27 0.35 0.00 0.00 0.00 179.25 180.40 1opj h PHE 444 N 1.08 0.71 -0.79 0.00 3.57 0.21 0.11 116.94 121.83 1opj h PHE 444 Ca 0.29 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.78 1opj h PHE 444 Cb -0.11 -0.23 -0.04 0.00 2.79 0.00 0.00 35.95 38.37 1opj h PHE 444 CO 0.00 0.52 0.50 0.78 -2.23 0.00 0.00 178.31 177.88 1opj h GLY 445 N 0.82 1.13 1.23 2.40 0.00 0.28 0.16 103.07 109.09 1opj h GLY 445 Ca 0.19 -0.45 -0.14 0.00 0.00 0.00 0.00 47.33 46.93 1opj h GLY 445 CO -0.03 0.43 -0.31 -2.08 0.00 0.00 0.00 176.54 174.56 1opj h VAL 446 N 1.07 1.27 -0.89 4.60 2.07 -0.82 -2.26 116.25 121.30 1opj h VAL 446 Ca 0.29 -1.46 -0.02 0.00 0.82 0.00 0.00 66.70 66.33 1opj h VAL 446 Cb -0.08 1.29 -0.04 0.00 -1.52 0.00 0.00 31.29 30.94 1opj h VAL 446 CO -0.06 0.49 0.50 0.25 0.02 0.00 0.00 177.57 178.77 1opj h LEU 447 N 0.73 1.11 -1.28 2.57 5.85 -0.34 0.32 115.31 124.27 1opj h LEU 447 Ca 0.08 -0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.68 1opj h LEU 447 Cb 0.87 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.59 1opj h LEU 447 CO 0.08 0.88 0.18 0.25 -0.34 0.00 0.00 178.44 179.49 1opj h LEU 448 N 1.24 0.61 -0.43 2.25 5.85 -0.46 0.54 115.31 124.92 1opj h LEU 448 Ca 0.31 -0.07 -0.14 0.00 0.84 0.00 0.00 57.88 58.82 1opj h LEU 448 Cb 0.02 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 40.88 1opj h LEU 448 CO -0.05 0.56 -0.29 -0.25 -0.34 0.00 0.00 178.44 178.07 1opj h TRP 449 N 0.67 1.12 -0.64 1.25 7.01 -0.66 -0.34 115.95 124.34 1opj h TRP 449 Ca 0.16 -0.30 -0.00 0.00 2.11 0.00 0.00 58.89 60.86 1opj h TRP 449 Cb 0.15 -0.25 -0.03 0.00 -2.10 0.00 0.00 29.16 26.93 1opj h TRP 449 CO 0.01 1.12 0.39 0.93 -2.79 0.00 0.00 178.44 178.10 1opj h GLU 450 N 0.79 0.87 0.05 2.65 5.08 -0.01 -2.07 114.58 121.93 1opj h GLU 450 Ca 0.09 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1opj h GLU 450 Cb 0.87 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.94 1opj h GLU 450 CO 0.08 0.62 -0.02 0.82 -1.00 0.00 0.00 179.01 179.50 1opj h ILE 451 N 0.87 1.05 0.00 3.13 2.04 -0.72 0.41 117.51 124.29 1opj h ILE 451 Ca 0.23 -0.34 0.00 0.00 1.00 0.00 0.00 64.86 65.75 1opj h ILE 451 Cb -0.03 1.28 0.00 0.00 -0.74 0.00 0.00 36.82 37.34 1opj h ILE 451 CO -0.04 0.09 0.00 0.00 0.00 0.00 0.00 178.15 178.19 1opj n ALA 452 N -2.20 1.26 -0.20 1.87 0.00 -0.16 -1.95 120.51 119.14 1opj n ALA 452 Ca -0.08 0.03 0.02 0.00 0.00 0.00 0.00 53.44 53.41 1opj n ALA 452 Cb 0.12 -1.16 0.02 0.00 0.00 0.00 0.00 19.45 18.43 1opj n ALA 452 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1opj n THR 453 N -1.72 1.15 -3.56 0.00 -2.24 -0.80 -4.87 114.28 102.25 1opj n THR 453 Ca 0.01 -1.22 -0.23 0.00 -2.27 0.00 0.00 64.05 60.35 1opj n THR 453 Cb 0.08 0.37 0.08 0.00 -2.10 0.00 0.00 70.33 68.76 1opj n THR 453 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1opj n TYR 454 N -0.66 -2.77 -1.49 4.78 4.01 -0.77 -3.44 117.16 116.83 1opj n TYR 454 Ca 0.03 0.99 0.00 0.00 -0.16 0.00 0.00 57.90 58.75 1opj n TYR 454 Cb 0.32 -4.95 0.00 0.00 -0.31 0.00 0.00 39.34 34.40 1opj n TYR 454 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1opj n GLY 455 N -1.91 0.64 3.80 2.72 0.00 0.14 -3.54 105.19 107.03 1opj n GLY 455 Ca -0.01 -0.76 -0.31 0.00 0.00 0.00 0.00 46.02 44.94 1opj n GLY 455 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1opj s MET 456 N -3.13 2.59 0.04 1.61 -1.94 -1.22 -4.88 119.30 112.36 1opj s MET 456 Ca 0.00 0.98 -0.28 0.00 -1.71 0.00 0.00 55.69 54.68 1opj s MET 456 Cb 0.00 -1.95 -0.05 0.00 2.01 0.00 0.00 34.83 34.84 1opj s MET 456 CO 0.00 -1.35 0.87 -1.12 -0.01 0.00 0.00 175.02 173.41 1opj s SER 457 N -3.68 7.31 0.67 3.03 0.01 -1.26 -4.79 113.70 114.99 1opj s SER 457 Ca 0.59 1.58 -0.15 0.00 1.31 0.00 0.00 55.95 59.28 1opj s SER 457 Cb -0.15 -2.52 0.01 0.00 0.21 0.00 0.00 66.02 63.56 1opj s SER 457 CO 0.55 -0.09 1.14 -2.84 0.41 0.00 0.00 173.24 172.41 1opj s PRO 458 N 0.31 2.68 -1.25 12.44 0.02 -1.26 -3.71 135.00 144.24 1opj s PRO 458 Ca 0.44 1.50 -0.31 0.00 0.02 0.00 0.00 61.00 62.65 1opj s PRO 458 Cb -0.21 -1.93 0.04 0.00 0.02 0.00 0.00 34.50 32.42 1opj s PRO 458 CO 0.26 -1.37 0.62 0.66 -0.33 0.00 0.00 177.00 176.84 1opj n TYR 459 N -2.41 -1.40 -1.66 6.54 4.02 -1.26 -4.76 117.16 116.23 1opj n TYR 459 Ca 0.11 0.14 -0.47 0.00 -0.01 0.00 0.00 57.90 57.67 1opj n TYR 459 Cb 0.51 -2.83 -0.04 0.00 -0.02 0.00 0.00 39.34 36.96 1opj n TYR 459 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 1opj n PRO 460 N -4.98 2.01 0.00 -0.72 -0.04 -1.24 -1.87 135.00 128.16 1opj n PRO 460 Ca -0.13 0.72 0.00 0.00 -0.04 0.00 0.00 63.50 64.05 1opj n PRO 460 Cb 0.58 -2.48 0.00 0.00 -0.04 0.00 0.00 33.50 31.56 1opj n PRO 460 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1opj n GLY 461 N 3.34 2.47 3.68 0.55 0.00 -1.26 -4.97 105.19 108.99 1opj n GLY 461 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 1opj n GLY 461 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1opj s ILE 462 N -2.29 3.83 0.14 -0.61 -1.09 -0.78 -4.95 121.20 115.44 1opj s ILE 462 Ca 0.00 1.15 -0.33 0.00 -2.23 0.00 0.00 60.65 59.24 1opj s ILE 462 Cb 0.00 -3.74 -0.13 0.00 -1.58 0.00 0.00 42.46 37.02 1opj s ILE 462 CO 0.00 -0.03 1.70 0.47 -1.23 0.00 0.00 174.94 175.85 1opj n ASP 463 N 5.81 3.55 -0.27 3.58 10.43 -1.26 -4.87 116.55 133.53 1opj n ASP 463 Ca 0.14 1.05 0.05 0.00 2.57 0.00 0.00 54.79 58.60 1opj n ASP 463 Cb 0.44 -1.48 0.19 0.00 1.84 0.00 0.00 41.12 42.11 1opj n ASP 463 CO 0.00 0.00 0.00 -0.07 -1.07 0.00 0.00 177.20 176.06 1opj h LEU 464 N 7.02 0.38 -0.44 0.64 3.38 -1.97 -0.27 115.31 124.04 1opj h LEU 464 Ca -0.45 0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.62 1opj h LEU 464 Cb 1.24 0.05 0.00 0.00 0.09 0.00 0.00 40.66 42.04 1opj h LEU 464 CO 0.92 0.16 0.00 -1.54 0.09 0.00 0.00 178.44 178.07 1opj n SER 465 N -4.94 0.21 -0.00 -0.43 3.41 -1.26 -1.68 113.62 108.92 1opj n SER 465 Ca 0.15 0.58 0.09 0.00 -0.26 0.00 0.00 58.87 59.43 1opj n SER 465 Cb 0.41 -0.62 -0.11 0.00 -0.26 0.00 0.00 64.21 63.63 1opj n SER 465 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1opj n GLN 466 N -1.77 0.95 0.07 4.33 1.13 -0.13 -4.70 117.38 117.27 1opj n GLN 466 Ca 0.00 -0.05 -0.11 0.00 -1.94 0.00 0.00 57.00 54.90 1opj n GLN 466 Cb 0.06 -1.37 -0.05 0.00 0.11 0.00 0.00 30.24 28.99 1opj n GLN 466 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 1opj h VAL 467 N 0.00 0.50 -0.25 5.09 2.07 -1.20 -1.64 116.25 120.81 1opj h VAL 467 Ca 0.00 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.57 1opj h VAL 467 Cb 0.55 0.50 -0.04 0.00 -1.52 0.00 0.00 31.29 30.77 1opj h VAL 467 CO 0.00 0.00 -0.04 0.22 0.02 0.00 0.00 177.57 177.77 1opj h TYR 468 N -0.36 -0.08 -0.63 1.57 3.20 -1.84 -0.45 116.97 118.39 1opj h TYR 468 Ca 0.05 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.92 1opj h TYR 468 Cb 0.43 0.07 -0.03 0.00 1.54 0.00 0.00 36.73 38.74 1opj h TYR 468 CO -0.25 -0.08 0.32 0.93 -1.64 0.00 0.00 178.16 177.44 1opj h GLU 469 N 0.03 0.87 -0.36 1.82 5.08 -1.85 0.39 114.58 120.57 1opj h GLU 469 Ca 0.12 -0.10 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 1opj h GLU 469 Cb 0.17 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1opj h GLU 469 CO -0.23 0.67 0.14 1.25 -1.00 0.00 0.00 179.01 179.83 1opj h LEU 470 N 0.88 0.50 -0.77 1.33 5.85 -0.42 -1.46 115.31 121.21 1opj h LEU 470 Ca 0.22 -0.18 -0.08 0.00 0.84 0.00 0.00 57.88 58.68 1opj h LEU 470 Cb 0.07 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 40.94 1opj h LEU 470 CO -0.03 0.54 0.02 -0.07 -0.34 0.00 0.00 178.44 178.56 1opj h LEU 471 N 0.43 0.93 -1.82 2.25 3.38 -0.59 -1.96 115.31 117.92 1opj h LEU 471 Ca 0.12 -0.24 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 1opj h LEU 471 Cb 0.20 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 1opj h LEU 471 CO -0.01 0.97 -0.10 -0.08 0.09 0.00 0.00 178.44 179.31 1opj h GLU 472 N 0.89 0.00 -0.35 1.13 4.81 -0.60 -1.10 114.58 119.36 1opj h GLU 472 Ca 0.17 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.40 1opj h GLU 472 Cb 0.49 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.87 1opj h GLU 472 CO 0.02 0.10 0.00 1.63 -0.73 0.00 0.00 179.01 180.04 1opj n LYS 473 N -4.37 1.79 -1.01 1.92 4.76 -0.58 -4.90 118.16 115.78 1opj n LYS 473 Ca -0.03 -1.14 -0.00 0.00 -2.87 0.00 0.00 58.31 54.27 1opj n LYS 473 Cb 0.18 -1.28 -0.00 0.00 -1.84 0.00 0.00 35.03 32.08 1opj n LYS 473 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1opj n ASP 474 N 0.41 -3.08 -4.76 4.39 8.00 -0.41 -5.04 116.55 116.05 1opj n ASP 474 Ca 0.11 0.00 -0.40 0.00 0.71 0.00 0.00 54.79 55.21 1opj n ASP 474 Cb 0.29 -0.60 -0.04 0.00 -0.02 0.00 0.00 41.12 40.75 1opj n ASP 474 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1opj s TYR 475 N -1.99 3.47 0.03 1.24 5.04 -0.79 -5.01 117.35 119.35 1opj s TYR 475 Ca 0.00 1.67 -0.05 0.00 -2.44 0.00 0.00 57.07 56.24 1opj s TYR 475 Cb 0.00 -3.30 -0.01 0.00 0.35 0.00 0.00 41.96 39.00 1opj s TYR 475 CO 0.00 -0.70 0.09 1.03 -1.34 0.00 0.00 175.55 174.63 1opj s ARG 476 N -1.64 0.56 0.41 4.97 1.81 -1.26 -4.35 118.95 119.44 1opj s ARG 476 Ca 0.47 -0.71 -0.27 0.00 -1.72 0.00 0.00 55.73 53.51 1opj s ARG 476 Cb -0.31 0.22 -0.10 0.00 -0.45 0.00 0.00 34.95 34.31 1opj s ARG 476 CO 0.40 -0.14 1.45 -1.64 -0.68 0.00 0.00 175.30 174.70 1opj s MET 477 N -2.41 3.91 0.85 3.54 -1.94 -1.26 -4.96 119.30 117.02 1opj s MET 477 Ca -0.07 2.49 -0.11 0.00 -1.71 0.00 0.00 55.69 56.29 1opj s MET 477 Cb -0.02 -2.82 0.10 0.00 2.01 0.00 0.00 34.83 34.10 1opj s MET 477 CO -0.04 -0.66 1.09 -1.83 -0.01 0.00 0.00 175.02 173.57 1opj s GLU 478 N -2.26 1.66 0.07 2.03 -1.05 -1.26 -4.94 118.70 112.95 1opj s GLU 478 Ca 0.57 0.82 -0.31 0.00 -0.15 0.00 0.00 54.97 55.90 1opj s GLU 478 Cb -0.45 -1.86 -0.08 0.00 -0.44 0.00 0.00 34.13 31.30 1opj s GLU 478 CO 0.60 -1.96 1.68 0.50 0.95 0.00 0.00 175.26 177.03 1opj s ARG 479 N -4.99 4.19 0.87 -4.83 3.52 -1.26 -4.96 118.95 111.48 1opj s ARG 479 Ca 0.62 2.37 -0.11 0.00 -0.13 0.00 0.00 55.73 58.48 1opj s ARG 479 Cb -0.17 -3.63 0.12 0.00 -1.56 0.00 0.00 34.95 29.71 1opj s ARG 479 CO 0.56 -0.76 1.11 -2.14 -0.81 0.00 0.00 175.30 173.26 1opj s PRO 480 N 2.76 1.43 0.18 5.12 0.02 -1.26 -4.91 135.00 138.34 1opj s PRO 480 Ca 0.75 1.26 -0.32 0.00 0.02 0.00 0.00 61.00 62.72 1opj s PRO 480 Cb -0.40 -1.80 -0.11 0.00 0.02 0.00 0.00 34.50 32.21 1opj s PRO 480 CO 0.33 -2.25 1.69 -2.00 -0.33 0.00 0.00 177.00 174.44 1opj s GLU 481 N -4.78 4.15 0.00 5.54 2.12 -1.26 -2.11 118.70 122.37 1opj s GLU 481 Ca 0.64 2.53 0.00 0.00 0.36 0.00 0.00 54.97 58.50 1opj s GLU 481 Cb -0.20 -3.16 0.00 0.00 0.26 0.00 0.00 34.13 31.03 1opj s GLU 481 CO 0.57 -0.72 0.00 0.41 -0.54 0.00 0.00 175.26 174.98 1opj n GLY 482 N 3.94 1.55 3.68 -1.50 0.00 -1.26 -4.99 105.19 106.61 1opj n GLY 482 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 1opj n GLY 482 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1opj n PRO 484 N 5.81 1.33 -0.18 0.00 -0.02 -1.26 -4.80 135.00 135.87 1opj n PRO 484 Ca 0.13 0.48 -0.04 0.00 -2.02 0.00 0.00 63.50 62.05 1opj n PRO 484 Cb 0.45 -2.13 0.06 0.00 -0.02 0.00 0.00 33.50 31.86 1opj n PRO 484 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1opj h GLU 485 N 1.35 0.52 0.00 -0.52 4.57 -1.95 -1.90 114.58 116.65 1opj h GLU 485 Ca -0.46 -0.03 -0.05 0.00 -1.18 0.00 0.00 59.36 57.64 1opj h GLU 485 Cb 1.34 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 29.80 1opj h GLU 485 CO 0.56 0.34 -0.23 0.87 -1.18 0.00 0.00 179.01 179.37 1opj h LYS 486 N 0.53 0.00 -0.21 1.92 1.57 -1.96 -0.26 116.57 118.16 1opj h LYS 486 Ca 0.24 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.83 1opj h LYS 486 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.47 1opj h LYS 486 CO -0.17 0.23 -0.60 0.28 -0.57 0.00 0.00 179.45 178.62 1opj h VAL 487 N 0.00 1.29 -0.46 0.50 2.07 -1.72 -1.95 116.25 115.98 1opj h VAL 487 Ca -0.00 -1.80 -0.09 0.00 0.82 0.00 0.00 66.70 65.62 1opj h VAL 487 Cb 0.47 1.84 -0.01 0.00 -1.52 0.00 0.00 31.29 32.06 1opj h VAL 487 CO 0.03 0.58 -0.07 0.22 0.02 0.00 0.00 177.57 178.35 1opj h TYR 488 N 0.52 0.95 -0.99 1.57 3.20 -0.91 -1.57 116.97 119.74 1opj h TYR 488 Ca -0.01 -0.19 0.07 0.00 3.14 0.00 0.00 58.73 61.74 1opj h TYR 488 Cb 1.22 -0.24 -0.07 0.00 1.54 0.00 0.00 36.73 39.19 1opj h TYR 488 CO 0.08 0.93 0.64 0.93 -1.64 0.00 0.00 178.16 179.10 1opj h GLU 489 N 0.69 1.10 -0.58 1.82 5.08 -1.01 0.77 114.58 122.46 1opj h GLU 489 Ca 0.12 -0.07 -0.06 0.00 -1.00 0.00 0.00 59.36 58.35 1opj h GLU 489 Cb 0.60 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 1opj h GLU 489 CO 0.04 0.73 0.13 1.25 -1.00 0.00 0.00 179.01 180.15 1opj h LEU 490 N 1.13 0.89 -0.40 1.33 5.85 -0.84 -0.07 115.31 123.20 1opj h LEU 490 Ca 0.44 -0.24 0.04 0.00 0.84 0.00 0.00 57.88 58.95 1opj h LEU 490 Cb 0.22 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 40.97 1opj h LEU 490 CO -0.18 0.90 0.17 0.24 -0.34 0.00 0.00 178.44 179.23 1opj h MET 491 N 0.83 0.34 -0.51 1.25 2.86 -0.21 -0.58 114.93 118.91 1opj h MET 491 Ca 0.18 -0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.78 1opj h MET 491 Cb 0.37 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.93 1opj h MET 491 CO 0.00 0.22 0.23 0.00 1.06 0.00 0.00 176.91 178.43 1opj h ARG 492 N 0.35 0.71 -0.59 1.72 2.47 -0.36 -1.20 114.38 117.48 1opj h ARG 492 Ca 0.18 -0.09 -0.11 0.00 -1.26 0.00 0.00 59.98 58.70 1opj h ARG 492 Cb 0.13 -0.14 -0.02 0.00 -1.65 0.00 0.00 29.97 28.29 1opj h ARG 492 CO -0.16 0.56 -0.05 0.00 0.56 0.00 0.00 179.97 180.89 1opj h ALA 493 N 1.55 0.80 0.00 0.04 0.00 -0.32 -2.14 119.26 119.18 1opj h ALA 493 Ca 0.18 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 1opj h ALA 493 Cb 0.09 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1opj h ALA 493 CO -0.02 0.68 -0.17 0.00 0.00 0.00 0.00 179.25 179.73 1opj n TRP 495 N -4.19 1.84 -1.87 0.00 8.01 -0.55 -3.74 117.44 116.93 1opj n TRP 495 Ca -0.02 -0.82 -0.40 0.00 -1.31 0.00 0.00 57.50 54.94 1opj n TRP 495 Cb 0.24 -0.52 0.01 0.00 -2.01 0.00 0.00 31.31 29.03 1opj n TRP 495 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.69 176.03 1opj s GLN 496 N -2.44 3.88 0.12 -0.99 -1.52 -1.02 -4.89 119.66 112.80 1opj s GLN 496 Ca 0.43 2.39 -0.20 0.00 -1.95 0.00 0.00 55.36 56.03 1opj s GLN 496 Cb 0.34 -2.77 -0.05 0.00 -0.22 0.00 0.00 33.01 30.31 1opj s GLN 496 CO 0.11 -0.65 1.73 2.35 -0.25 0.00 0.00 175.29 178.59 1opj h TRP 497 N 2.61 0.04 -3.18 0.91 2.91 -1.92 -3.40 115.95 113.91 1opj h TRP 497 Ca -0.50 0.01 -0.58 0.00 1.13 0.00 0.00 58.89 58.94 1opj h TRP 497 Cb 1.25 0.01 -0.07 0.00 -0.51 0.00 0.00 29.16 29.84 1opj h TRP 497 CO 0.52 0.01 0.63 1.21 -1.03 0.00 0.00 178.44 179.78 1opj s ASN 498 N -5.25 7.02 0.38 2.65 3.84 -1.26 -4.84 114.94 117.47 1opj s ASN 498 Ca -0.13 1.27 0.13 0.00 0.21 0.00 0.00 52.86 54.34 1opj s ASN 498 Cb 0.09 -2.50 0.94 0.00 -0.55 0.00 0.00 41.25 39.23 1opj s ASN 498 CO 0.68 -0.57 1.85 1.55 -2.79 0.00 0.00 177.10 177.82 1opj h PRO 499 N 7.47 0.54 0.00 0.43 0.13 -1.94 0.71 132.00 139.34 1opj h PRO 499 Ca -0.23 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 64.86 1opj h PRO 499 Cb 1.09 -0.12 -0.00 0.00 0.13 0.00 0.00 31.00 32.09 1opj h PRO 499 CO 0.92 0.36 -0.05 0.66 -0.23 0.00 0.00 178.00 179.66 1opj h SER 500 N 0.56 0.00 0.53 1.44 4.64 -1.94 -1.59 113.55 117.18 1opj h SER 500 Ca 0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.79 1opj h SER 500 Cb 0.96 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.05 1opj h SER 500 CO -0.21 0.05 -0.26 0.47 -0.87 0.00 0.00 176.83 176.00 1opj n ASP 501 N -3.37 0.47 -4.79 4.97 8.00 0.24 -4.86 116.55 117.21 1opj n ASP 501 Ca -0.02 -0.28 -0.36 0.00 0.71 0.00 0.00 54.79 54.84 1opj n ASP 501 Cb 0.18 -0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.22 1opj n ASP 501 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1opj s ARG 502 N -2.79 4.47 0.67 -1.24 0.52 -0.60 -4.90 118.95 115.08 1opj s ARG 502 Ca 0.18 1.22 -0.14 0.00 -0.52 0.00 0.00 55.73 56.47 1opj s ARG 502 Cb 0.19 -2.69 0.00 0.00 0.52 0.00 0.00 34.95 32.97 1opj s ARG 502 CO 0.58 0.23 1.09 -1.25 0.02 0.00 0.00 175.30 175.98 1opj s PRO 503 N -2.27 2.80 0.77 3.54 0.04 -1.26 -5.04 135.00 133.59 1opj s PRO 503 Ca 0.52 1.29 -0.11 0.00 0.04 0.00 0.00 61.00 62.73 1opj s PRO 503 Cb -0.16 -1.96 0.06 0.00 0.04 0.00 0.00 34.50 32.48 1opj s PRO 503 CO 0.21 -1.23 1.14 -1.54 0.04 0.00 0.00 177.00 175.62 1opj s SER 504 N -2.84 4.81 0.37 6.66 1.04 -1.26 -4.86 113.70 117.62 1opj s SER 504 Ca 0.65 0.86 0.16 0.00 0.48 0.00 0.00 55.95 58.10 1opj s SER 504 Cb -0.19 -1.46 0.69 0.00 0.10 0.00 0.00 66.02 65.16 1opj s SER 504 CO 0.44 -1.71 1.76 -0.26 0.98 0.00 0.00 173.24 174.45 1opj h PHE 505 N -0.90 0.00 -0.59 5.02 -1.00 -1.93 -0.32 116.94 117.21 1opj h PHE 505 Ca -0.46 0.00 -0.05 0.00 2.81 0.00 0.00 57.97 60.27 1opj h PHE 505 Cb 1.31 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.84 1opj h PHE 505 CO 0.37 0.40 0.16 0.00 -1.61 0.00 0.00 178.31 177.64 1opj h ALA 506 N 1.60 0.78 -0.29 2.45 0.00 -1.88 0.39 119.26 122.30 1opj h ALA 506 Ca -0.00 -0.21 -0.14 0.00 0.00 0.00 0.00 54.91 54.56 1opj h ALA 506 Cb 0.82 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1opj h ALA 506 CO 0.05 0.47 -0.37 0.93 0.00 0.00 0.00 179.25 180.33 1opj h GLU 507 N 0.85 0.68 -0.33 0.00 5.08 -1.78 -1.64 114.58 117.43 1opj h GLU 507 Ca 0.19 -0.33 -0.04 0.00 -1.00 0.00 0.00 59.36 58.17 1opj h GLU 507 Cb 0.32 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 1opj h GLU 507 CO -0.00 0.94 0.05 0.82 -1.00 0.00 0.00 179.01 179.82 1opj h ILE 508 N 0.56 1.24 -0.11 3.13 2.04 -0.79 0.14 117.51 123.72 1opj h ILE 508 Ca 0.05 -0.83 -0.00 0.00 1.00 0.00 0.00 64.86 65.08 1opj h ILE 508 Cb 0.89 1.14 -0.01 0.00 -0.74 0.00 0.00 36.82 38.11 1opj h ILE 508 CO 0.08 0.28 0.06 -0.74 0.00 0.00 0.00 178.15 177.82 1opj h HIS 509 N 0.38 0.15 -0.50 1.37 2.76 -0.81 -1.70 115.15 116.80 1opj h HIS 509 Ca 0.10 -0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.24 1opj h HIS 509 Cb 0.36 -0.05 -0.02 0.00 1.55 0.00 0.00 27.41 29.25 1opj h HIS 509 CO 0.02 0.17 0.20 0.37 -1.30 0.00 0.00 177.93 177.39 1opj h GLN 510 N 0.08 0.71 -0.59 5.26 5.75 -1.21 -2.40 115.11 122.71 1opj h GLN 510 Ca 0.04 -0.10 0.00 0.00 -0.15 0.00 0.00 58.65 58.44 1opj h GLN 510 Cb 0.07 -0.13 -0.03 0.00 1.07 0.00 0.00 27.48 28.46 1opj h GLN 510 CO -0.01 0.58 0.37 0.00 -2.65 0.00 0.00 178.83 177.12 1opj h ALA 511 N 1.52 0.74 -0.54 3.38 0.00 -0.09 -2.21 119.26 122.06 1opj h ALA 511 Ca 0.17 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 1opj h ALA 511 Cb 0.14 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1opj h ALA 511 CO -0.02 0.21 0.20 0.74 0.00 0.00 0.00 179.25 180.38 1opj h PHE 512 N 0.79 0.79 -0.02 0.00 0.04 -0.83 0.16 116.94 117.87 1opj h PHE 512 Ca 0.21 -0.04 0.00 0.00 2.80 0.00 0.00 57.97 60.94 1opj h PHE 512 Cb -0.05 -0.24 0.00 0.00 2.20 0.00 0.00 35.95 37.86 1opj h PHE 512 CO -0.03 0.62 0.00 -0.85 -0.60 0.00 0.00 178.31 177.45 1opj n GLU 513 N -4.33 1.14 0.00 1.51 0.28 -0.86 -3.71 120.64 114.67 1opj n GLU 513 Ca 0.04 -0.20 0.00 0.00 -0.16 0.00 0.00 57.16 56.84 1opj n GLU 513 Cb 0.17 -1.38 0.00 0.00 1.43 0.00 0.00 31.44 31.65 1opj n GLU 513 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 1opj n THR 514 N -0.65 0.00 0.38 3.84 -2.24 -0.95 -4.74 114.28 109.91 1opj n THR 514 Ca 0.18 -0.26 0.13 0.00 -2.27 0.00 0.00 64.05 61.83 1opj n THR 514 Cb 0.13 0.90 0.54 0.00 -2.10 0.00 0.00 70.33 69.80 1opj n THR 514 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1opj h MET 515 N 0.00 0.00 0.00 -0.78 -0.00 -1.06 -3.04 114.93 110.05 1opj h MET 515 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 59.70 59.68 1opj h MET 515 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 31.60 31.55 1opj h MET 515 CO 0.00 0.00 -0.39 1.19 -0.00 0.00 0.00 176.91 177.71 1opj n PHE 516 N -2.47 0.00 0.24 -0.10 3.01 -1.26 -4.78 117.46 112.09 1opj n PHE 516 Ca 0.02 -1.02 0.10 0.00 1.01 0.00 0.00 57.45 57.56 1opj n PHE 516 Cb 0.26 -0.18 0.58 0.00 -0.01 0.00 0.00 39.48 40.13 1opj n PHE 516 CO 0.00 0.00 0.00 -0.56 1.01 0.00 0.00 176.76 177.21 1opj h GLN 517 N 0.53 0.00 -0.08 -1.08 3.07 -1.82 -2.91 115.11 112.82 1opj h GLN 517 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.71 1opj h GLN 517 Cb 1.16 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.72 1opj h GLN 517 CO 0.01 0.20 0.00 0.39 0.09 0.00 0.00 178.83 179.53 1opj n GLU 518 N -3.66 2.06 -3.75 0.06 1.02 -1.26 -5.02 120.64 110.09 1opj n GLU 518 Ca -0.01 -1.41 -0.11 0.00 -0.02 0.00 0.00 57.16 55.61 1opj n GLU 518 Cb 0.33 -1.07 -0.07 0.00 -0.02 0.00 0.00 31.44 30.61 1opj n GLU 518 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1opj s SER 519 N -0.81 -0.09 -0.14 1.62 0.15 -1.10 -5.16 113.70 108.18 1opj s SER 519 Ca 0.06 -0.34 -0.07 0.00 0.70 0.00 0.00 55.95 56.30 1opj s SER 519 Cb 0.03 0.38 -0.04 0.00 -1.71 0.00 0.00 66.02 64.68 1opj s SER 519 CO 0.04 -0.70 0.13 -0.55 1.20 0.00 0.00 173.24 173.36 1opj s SER 520 N -2.43 6.25 0.15 5.45 0.15 -1.26 -4.47 113.70 117.53 1opj s SER 520 Ca -0.01 0.39 -0.09 0.00 0.70 0.00 0.00 55.95 56.93 1opj s SER 520 Cb 0.01 -2.03 -0.02 0.00 -1.71 0.00 0.00 66.02 62.27 1opj s SER 520 CO -0.07 0.35 1.46 -0.29 1.20 0.00 0.00 173.24 175.89 1opj h ILE 521 N 4.17 1.28 -0.74 6.45 2.10 -1.97 -1.42 117.51 127.38 1opj h ILE 521 Ca -0.51 -1.67 0.08 0.00 1.08 0.00 0.00 64.86 63.84 1opj h ILE 521 Cb 1.21 1.56 -0.07 0.00 -1.09 0.00 0.00 36.82 38.43 1opj h ILE 521 CO 0.62 0.55 0.40 0.28 -1.08 0.00 0.00 178.15 178.92 1opj h SER 522 N 0.66 0.56 -0.27 2.19 0.02 -1.94 -0.28 113.55 114.49 1opj h SER 522 Ca 0.03 0.05 -0.08 0.00 -0.84 0.00 0.00 61.79 60.95 1opj h SER 522 Cb 1.07 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 63.55 1opj h SER 522 CO 0.11 0.33 -0.12 0.44 -1.14 0.00 0.00 176.83 176.45 1opj h ASP 523 N 0.69 0.58 -0.78 3.07 3.32 -1.93 -2.81 116.42 118.56 1opj h ASP 523 Ca 0.35 -0.40 -0.01 0.00 0.02 0.00 0.00 57.03 56.99 1opj h ASP 523 Cb 0.32 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 39.67 1opj h ASP 523 CO -0.24 0.85 0.45 -0.33 -1.72 0.00 0.00 179.24 178.26 1opj h GLU 524 N 0.31 1.08 -0.43 3.56 5.08 -0.50 -1.50 114.58 122.18 1opj h GLU 524 Ca 0.06 -0.11 -0.12 0.00 -1.00 0.00 0.00 59.36 58.20 1opj h GLU 524 Cb 0.63 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 1opj h GLU 524 CO 0.04 0.77 -0.20 0.28 -1.00 0.00 0.00 179.01 178.90 1opj h VAL 525 N 1.09 1.27 0.00 3.13 2.07 -1.07 -2.54 116.25 120.20 1opj h VAL 525 Ca 0.28 -1.32 -0.02 0.00 0.82 0.00 0.00 66.70 66.45 1opj h VAL 525 Cb -0.01 1.15 -0.00 0.00 -1.52 0.00 0.00 31.29 30.91 1opj h VAL 525 CO -0.05 0.45 -0.12 1.05 0.02 0.00 0.00 177.57 178.92 1opj h GLU 526 N 0.73 0.00 0.21 1.57 4.11 -1.19 -2.84 114.58 117.18 1opj h GLU 526 Ca 0.10 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.52 1opj h GLU 526 Cb 0.72 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.98 1opj h GLU 526 CO 0.06 0.12 -0.10 -0.22 0.07 0.00 0.00 179.01 178.93 1opj h LYS 527 N 0.00 -0.28 0.00 1.06 3.64 -0.87 -3.10 116.57 117.03 1opj h LYS 527 Ca -0.00 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1opj h LYS 527 Cb 0.68 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.56 1opj h LYS 527 CO 0.02 -0.18 0.00 0.39 -2.27 0.00 0.00 179.45 177.40 1opj n GLU 528 N -4.18 0.69 -0.11 1.90 1.02 -1.06 -2.97 120.64 115.93 1opj n GLU 528 Ca -0.04 0.01 -0.23 0.00 -0.02 0.00 0.00 57.16 56.88 1opj n GLU 528 Cb 0.11 -1.50 -0.11 0.00 -0.02 0.00 0.00 31.44 29.92 1opj n GLU 528 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1opj n LEU 529 N -1.03 1.91 -0.34 -4.62 4.77 -1.07 -4.16 117.00 112.46 1opj n LEU 529 Ca 0.17 0.40 0.02 0.00 -0.03 0.00 0.00 56.01 56.56 1opj n LEU 529 Cb 0.09 -0.94 0.06 0.00 -2.33 0.00 0.00 43.42 40.29 1opj n LEU 529 CO 0.14 0.35 0.50 0.61 -1.33 0.00 0.00 177.39 177.66 1opj n GLY 530 N 1.42 0.06 0.00 -0.72 0.00 -1.17 -5.00 105.19 99.78 1opj n GLY 530 Ca -0.36 -0.13 0.01 0.00 0.00 0.00 0.00 46.02 45.54 1opj n GLY 530 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60