#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nex n LYS 271 N 0.00 0.23 -3.15 1.96 2.85 -1.26 -5.01 118.16 113.79 1nex n LYS 271 Ca 0.00 0.13 0.06 0.00 -1.05 0.00 0.00 58.31 57.44 1nex n LYS 271 Cb 0.00 -1.95 -0.00 0.00 -0.65 0.00 0.00 35.03 32.43 1nex n LYS 271 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 177.40 177.85 1nex s ARG 272 N -3.11 0.10 -1.29 -1.58 3.00 -1.26 -5.05 118.95 109.76 1nex s ARG 272 Ca 0.66 0.11 -0.18 0.00 -1.00 0.00 0.00 55.73 55.31 1nex s ARG 272 Cb -0.32 0.05 0.05 0.00 0.00 0.00 0.00 34.95 34.73 1nex s ARG 272 CO 0.58 -0.17 1.78 -3.47 0.00 0.00 0.00 175.30 174.02 1nex n ASP 273 N 5.14 4.67 -0.34 -2.12 -0.08 -1.26 -4.78 116.55 117.78 1nex n ASP 273 Ca 0.07 -2.89 0.22 0.00 -1.51 0.00 0.00 54.79 50.68 1nex n ASP 273 Cb 0.57 -1.74 0.45 0.00 2.34 0.00 0.00 41.12 42.74 1nex n ASP 273 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 1nex h LEU 274 N 13.13 0.56 -0.65 -2.67 3.38 -1.97 -0.77 115.31 126.32 1nex h LEU 274 Ca 0.43 0.16 -0.05 0.00 0.09 0.00 0.00 57.88 58.51 1nex h LEU 274 Cb 0.87 0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.68 1nex h LEU 274 CO 1.45 -0.03 0.20 -0.29 0.09 0.00 0.00 178.44 179.86 1nex h ILE 275 N 0.42 1.25 0.12 1.22 2.10 -1.91 0.65 117.51 121.35 1nex h ILE 275 Ca 0.70 -0.85 -0.27 0.00 1.08 0.00 0.00 64.86 65.52 1nex h ILE 275 Cb 1.53 0.58 0.01 0.00 -1.09 0.00 0.00 36.82 37.84 1nex h ILE 275 CO -0.53 0.33 -1.20 0.74 -1.08 0.00 0.00 178.15 176.40 1nex h THR 276 N 0.93 1.47 -0.05 2.19 2.02 -1.80 -3.35 112.91 114.32 1nex h THR 276 Ca 0.21 -2.92 -0.08 0.00 0.77 0.00 0.00 66.41 64.39 1nex h THR 276 Cb 0.29 2.86 0.00 0.00 -1.74 0.00 0.00 68.15 69.56 1nex h THR 276 CO -0.01 0.86 -0.28 0.28 0.37 0.00 0.00 175.52 176.74 1nex h SER 277 N 0.11 0.33 -4.21 4.18 0.02 -0.99 -3.46 113.55 109.54 1nex h SER 277 Ca -0.13 -0.67 -0.53 0.00 -0.84 0.00 0.00 61.79 59.62 1nex h SER 277 Cb 1.91 -0.10 0.18 0.00 0.14 0.00 0.00 62.40 64.53 1nex h SER 277 CO 0.20 0.95 0.34 -0.76 -1.14 0.00 0.00 176.83 176.42 1nex s LEU 278 N -8.69 3.15 0.51 5.07 2.01 0.23 -4.94 118.68 116.01 1nex s LEU 278 Ca -0.15 2.34 -0.22 0.00 0.01 0.00 0.00 54.13 56.11 1nex s LEU 278 Cb 0.03 -4.58 -0.06 0.00 0.01 0.00 0.00 46.19 41.58 1nex s LEU 278 CO 0.76 -2.61 1.27 -2.84 1.01 0.00 0.00 176.35 173.94 1nex s PRO 279 N -4.16 3.42 0.29 1.29 0.02 -1.26 -4.76 135.00 129.83 1nex s PRO 279 Ca 0.72 2.03 -0.01 0.00 0.02 0.00 0.00 61.00 63.76 1nex s PRO 279 Cb -0.28 -2.32 0.65 0.00 0.02 0.00 0.00 34.50 32.57 1nex s PRO 279 CO 0.50 -0.90 1.60 0.35 -0.33 0.00 0.00 177.00 178.22 1nex h PHE 280 N 1.73 -0.03 -0.00 6.54 3.57 -1.92 -0.51 116.94 126.32 1nex h PHE 280 Ca -0.50 0.07 0.01 0.00 3.53 0.00 0.00 57.97 61.07 1nex h PHE 280 Cb 1.28 0.16 -0.01 0.00 2.79 0.00 0.00 35.95 40.16 1nex h PHE 280 CO 0.49 -0.36 -0.05 0.93 -2.23 0.00 0.00 178.31 177.10 1nex h GLU 281 N 0.06 -0.08 -0.61 1.11 3.07 -2.00 -2.33 114.58 113.80 1nex h GLU 281 Ca 0.54 0.01 -0.00 0.00 -0.50 0.00 0.00 59.36 59.40 1nex h GLU 281 Cb 1.06 0.02 -0.03 0.00 -0.84 0.00 0.00 28.75 28.96 1nex h GLU 281 CO -0.83 -0.06 0.37 0.82 -1.40 0.00 0.00 179.01 177.91 1nex h ILE 282 N -0.09 1.17 -0.00 3.13 5.03 -1.46 -2.17 117.51 123.12 1nex h ILE 282 Ca 0.02 -0.38 -0.12 0.00 -0.12 0.00 0.00 64.86 64.26 1nex h ILE 282 Cb 0.11 0.31 -0.02 0.00 -3.03 0.00 0.00 36.82 34.20 1nex h ILE 282 CO -0.05 0.18 -0.56 0.28 -0.68 0.00 0.00 178.15 177.32 1nex h SER 283 N 0.84 0.01 -0.49 1.72 0.02 -1.23 -2.74 113.55 111.67 1nex h SER 283 Ca 0.22 -0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 61.06 1nex h SER 283 Cb -0.03 -0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.49 1nex h SER 283 CO -0.04 0.56 -0.09 -0.07 -1.14 0.00 0.00 176.83 176.05 1nex h LEU 284 N 0.00 0.96 0.01 5.07 3.38 -0.85 -1.62 115.31 122.26 1nex h LEU 284 Ca -0.01 -0.30 0.03 0.00 0.09 0.00 0.00 57.88 57.69 1nex h LEU 284 Cb 0.99 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.45 1nex h LEU 284 CO 0.07 1.06 -0.19 0.11 0.09 0.00 0.00 178.44 179.59 1nex h LYS 285 N 0.86 -0.30 -0.39 1.13 1.57 -1.23 0.14 116.57 118.35 1nex h LYS 285 Ca 0.14 0.02 0.08 0.00 -1.87 0.00 0.00 60.65 59.02 1nex h LYS 285 Cb 0.64 0.07 -0.08 0.00 0.08 0.00 0.00 32.23 32.93 1nex h LYS 285 CO 0.04 -0.20 -0.17 0.82 -0.57 0.00 0.00 179.45 179.37 1nex h ILE 286 N -0.31 0.47 -0.72 1.86 2.04 -1.24 -1.06 117.51 118.55 1nex h ILE 286 Ca 0.05 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.95 1nex h ILE 286 Cb 0.38 0.47 -0.04 0.00 -0.74 0.00 0.00 36.82 36.89 1nex h ILE 286 CO -0.17 0.00 0.48 -0.26 0.00 0.00 0.00 178.15 178.19 1nex h PHE 287 N -0.10 0.84 0.00 1.37 0.04 -0.26 -1.00 116.94 117.83 1nex h PHE 287 Ca 0.19 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.98 1nex h PHE 287 Cb 0.39 -0.28 0.00 0.00 2.20 0.00 0.00 35.95 38.26 1nex h PHE 287 CO -0.41 0.49 0.00 0.09 -0.60 0.00 0.00 178.31 177.89 1nex n ASN 288 N -4.45 0.00 -0.99 2.17 3.02 0.37 -1.15 115.26 114.23 1nex n ASN 288 Ca 0.09 0.21 0.11 0.00 -0.03 0.00 0.00 54.58 54.97 1nex n ASN 288 Cb 0.12 -0.33 0.15 0.00 -0.61 0.00 0.00 39.78 39.11 1nex n ASN 288 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1nex n TYR 289 N -1.33 0.24 -4.09 3.10 4.01 -0.38 -4.97 117.16 113.74 1nex n TYR 289 Ca 0.04 -0.13 -0.27 0.00 -0.16 0.00 0.00 57.90 57.38 1nex n TYR 289 Cb 0.08 -0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.05 1nex n TYR 289 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1nex s LEU 290 N -1.63 3.75 0.67 7.72 1.43 -0.30 -5.10 118.68 125.21 1nex s LEU 290 Ca 0.31 -0.13 -0.12 0.00 -1.03 0.00 0.00 54.13 53.16 1nex s LEU 290 Cb 0.20 -2.38 -0.00 0.00 0.03 0.00 0.00 46.19 44.04 1nex s LEU 290 CO 0.29 0.09 1.06 -1.10 0.23 0.00 0.00 176.35 176.91 1nex s GLN 291 N -2.94 3.06 0.32 1.70 -0.21 -1.26 -4.89 119.66 115.43 1nex s GLN 291 Ca 0.30 0.98 0.03 0.00 0.02 0.00 0.00 55.36 56.70 1nex s GLN 291 Cb -0.10 -2.00 0.63 0.00 1.00 0.00 0.00 33.01 32.53 1nex s GLN 291 CO 0.23 -1.00 1.90 0.27 -2.12 0.00 0.00 175.29 174.56 1nex h PHE 292 N -0.47 0.96 -0.93 0.91 -5.15 -1.99 -1.71 116.94 108.56 1nex h PHE 292 Ca -0.44 0.03 0.04 0.00 -0.20 0.00 0.00 57.97 57.39 1nex h PHE 292 Cb 1.21 -0.31 -0.05 0.00 0.22 0.00 0.00 35.95 37.01 1nex h PHE 292 CO 0.62 0.46 0.61 0.93 -2.00 0.00 0.00 178.31 178.92 1nex h GLU 293 N 0.90 1.13 0.00 6.09 3.07 -2.00 -0.23 114.58 123.54 1nex h GLU 293 Ca 0.40 -0.07 -0.03 0.00 -0.50 0.00 0.00 59.36 59.17 1nex h GLU 293 Cb 0.37 -0.26 -0.00 0.00 -0.84 0.00 0.00 28.75 28.02 1nex h GLU 293 CO -0.17 0.75 -0.15 -0.44 -1.40 0.00 0.00 179.01 177.60 1nex h ASP 294 N 1.17 0.00 0.47 1.42 3.32 -1.68 -2.39 116.42 118.72 1nex h ASP 294 Ca 0.37 0.00 -0.27 0.00 0.02 0.00 0.00 57.03 57.15 1nex h ASP 294 Cb 0.01 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.57 1nex h ASP 294 CO -0.11 0.15 -1.17 0.40 -1.72 0.00 0.00 179.24 176.79 1nex h ILE 295 N 0.00 1.43 -0.07 0.35 2.04 -0.79 -1.83 117.51 118.65 1nex h ILE 295 Ca -0.00 -2.79 -0.14 0.00 1.00 0.00 0.00 64.86 62.94 1nex h ILE 295 Cb 0.68 2.77 -0.01 0.00 -0.74 0.00 0.00 36.82 39.51 1nex h ILE 295 CO 0.02 0.82 -0.57 0.40 0.00 0.00 0.00 178.15 178.83 1nex h ILE 296 N 0.15 1.38 -0.18 -0.67 5.03 -1.01 -1.26 117.51 120.94 1nex h ILE 296 Ca -0.13 -1.90 -0.12 0.00 -0.12 0.00 0.00 64.86 62.59 1nex h ILE 296 Cb 1.86 1.95 0.00 0.00 -3.03 0.00 0.00 36.82 37.60 1nex h ILE 296 CO 0.20 0.56 -0.35 0.78 -0.68 0.00 0.00 178.15 178.66 1nex h ASN 297 N 0.16 0.62 -0.16 1.72 2.35 -1.45 -2.77 115.58 116.04 1nex h ASN 297 Ca -0.00 -0.55 0.05 0.00 -0.55 0.00 0.00 56.30 55.25 1nex h ASN 297 Cb 1.04 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 39.23 1nex h ASN 297 CO 0.09 1.05 0.20 0.28 -1.65 0.00 0.00 177.43 177.40 1nex h SER 298 N 0.21 0.00 0.91 5.81 0.02 -0.99 0.45 113.55 119.95 1nex h SER 298 Ca 0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1nex h SER 298 Cb 0.94 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.48 1nex h SER 298 CO 0.08 0.00 0.00 0.18 -1.14 0.00 0.00 176.83 175.95 1nex n LEU 299 N -3.65 0.45 -0.64 5.07 4.32 -0.51 -2.93 117.00 119.11 1nex n LEU 299 Ca 0.01 0.58 0.06 0.00 -0.02 0.00 0.00 56.01 56.64 1nex n LEU 299 Cb 0.32 -0.48 0.20 0.00 -1.62 0.00 0.00 43.42 41.84 1nex n LEU 299 CO 0.25 -0.31 0.62 0.61 -1.22 0.00 0.00 177.39 177.35 1nex n GLY 300 N 0.56 4.63 0.08 -0.72 0.00 0.16 -4.41 105.19 105.48 1nex n GLY 300 Ca 0.04 -1.14 -0.14 0.00 0.00 0.00 0.00 46.02 44.78 1nex n GLY 300 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1nex h VAL 301 N 0.95 1.12 -2.74 1.61 2.07 -1.50 -3.50 116.25 114.25 1nex h VAL 301 Ca 0.05 -2.00 0.05 0.00 0.82 0.00 0.00 66.70 65.61 1nex h VAL 301 Cb 1.29 2.27 -0.11 0.00 -1.52 0.00 0.00 31.29 33.22 1nex h VAL 301 CO 0.16 0.38 0.32 -0.94 0.02 0.00 0.00 177.57 177.50 1nex s SER 302 N -6.31 -0.42 0.37 0.57 1.04 -1.26 -5.01 113.70 102.67 1nex s SER 302 Ca -0.20 -0.15 0.11 0.00 0.48 0.00 0.00 55.95 56.20 1nex s SER 302 Cb 0.01 0.55 0.89 0.00 0.10 0.00 0.00 66.02 67.58 1nex s SER 302 CO 0.53 -0.93 1.84 1.56 0.98 0.00 0.00 173.24 177.21 1nex h GLN 303 N 2.00 0.59 -0.18 4.02 1.08 -1.95 -0.04 115.11 120.63 1nex h GLN 303 Ca -0.27 -0.04 -0.21 0.00 -1.45 0.00 0.00 58.65 56.68 1nex h GLN 303 Cb 1.27 -0.13 0.01 0.00 -0.05 0.00 0.00 27.48 28.58 1nex h GLN 303 CO 0.32 0.39 -0.72 -0.97 -0.95 0.00 0.00 178.83 176.90 1nex h ASN 304 N 0.61 0.94 -0.34 1.46 -0.73 -1.98 0.13 115.58 115.66 1nex h ASN 304 Ca 0.49 -0.61 -0.01 0.00 1.87 0.00 0.00 56.30 58.03 1nex h ASN 304 Cb 0.93 -0.28 -0.02 0.00 0.27 0.00 0.00 38.32 39.23 1nex h ASN 304 CO -0.24 1.39 0.16 -0.50 -0.37 0.00 0.00 177.43 177.88 1nex h TRP 305 N 0.54 0.50 -0.94 0.67 4.06 -1.72 0.12 115.95 119.18 1nex h TRP 305 Ca -0.04 -0.03 0.09 0.00 2.06 0.00 0.00 58.89 60.98 1nex h TRP 305 Cb 1.35 -0.15 -0.07 0.00 -1.00 0.00 0.00 29.16 29.28 1nex h TRP 305 CO 0.09 0.43 0.58 -0.97 -3.56 0.00 0.00 178.44 175.01 1nex h ASN 306 N 0.42 0.88 0.07 -3.49 -1.24 -0.89 -0.36 115.58 110.97 1nex h ASN 306 Ca 0.12 0.03 -0.00 0.00 0.71 0.00 0.00 56.30 57.16 1nex h ASN 306 Cb 0.12 -0.15 0.00 0.00 0.73 0.00 0.00 38.32 39.03 1nex h ASN 306 CO -0.01 0.52 -0.03 0.50 -1.29 0.00 0.00 177.43 177.11 1nex h LYS 307 N 0.99 -0.09 -0.14 6.67 3.64 0.08 -2.83 116.57 124.89 1nex h LYS 307 Ca 0.44 0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.87 1nex h LYS 307 Cb 0.33 0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 32.13 1nex h LYS 307 CO -0.23 0.18 -0.14 0.82 -2.27 0.00 0.00 179.45 177.81 1nex h ILE 308 N -0.36 0.61 -0.51 2.00 2.04 -0.11 -2.60 117.51 118.58 1nex h ILE 308 Ca -0.01 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.77 1nex h ILE 308 Cb 0.31 0.61 -0.02 0.00 -0.74 0.00 0.00 36.82 36.98 1nex h ILE 308 CO 0.02 0.00 -0.02 0.40 0.00 0.00 0.00 178.15 178.55 1nex h ILE 309 N -0.17 1.25 -0.20 -0.67 2.04 -1.14 -2.27 117.51 116.35 1nex h ILE 309 Ca 0.10 -1.07 0.00 0.00 1.00 0.00 0.00 64.86 64.89 1nex h ILE 309 Cb 0.31 0.88 0.00 0.00 -0.74 0.00 0.00 36.82 37.27 1nex h ILE 309 CO -0.24 0.38 0.00 0.54 0.00 0.00 0.00 178.15 178.83 1nex n ARG 310 N -4.20 1.46 -0.02 2.37 1.74 -1.07 -3.22 116.66 113.73 1nex n ARG 310 Ca 0.03 -0.72 0.00 0.00 -0.77 0.00 0.00 57.85 56.39 1nex n ARG 310 Cb 0.32 -1.17 -0.13 0.00 -1.02 0.00 0.00 32.46 30.46 1nex n ARG 310 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 1nex n LYS 311 N 0.07 0.65 -3.07 5.56 4.81 -0.86 -4.66 118.16 120.67 1nex n LYS 311 Ca 0.07 0.02 -0.41 0.00 -0.87 0.00 0.00 58.31 57.13 1nex n LYS 311 Cb 0.17 -1.63 -0.06 0.00 0.02 0.00 0.00 35.03 33.53 1nex n LYS 311 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1nex s SER 312 N -5.31 6.57 -0.08 3.14 0.15 -1.20 -4.94 113.70 112.03 1nex s SER 312 Ca -0.07 0.59 -0.25 0.00 0.70 0.00 0.00 55.95 56.92 1nex s SER 312 Cb 0.09 -2.35 -0.29 0.00 -1.71 0.00 0.00 66.02 61.76 1nex s SER 312 CO 0.85 -0.47 0.84 0.74 1.20 0.00 0.00 173.24 176.40 1nex h THR 313 N 5.50 1.62 -0.62 6.45 2.02 -1.91 -3.32 112.91 122.66 1nex h THR 313 Ca -0.26 -2.46 0.11 0.00 0.77 0.00 0.00 66.41 64.57 1nex h THR 313 Cb 1.11 3.28 -0.08 0.00 -1.74 0.00 0.00 68.15 70.72 1nex h THR 313 CO 0.81 0.67 0.17 0.77 0.37 0.00 0.00 175.52 178.31 1nex h SER 314 N -0.62 0.08 -0.81 4.18 4.64 -1.99 -0.72 113.55 118.31 1nex h SER 314 Ca -0.09 0.10 0.17 0.00 -0.47 0.00 0.00 61.79 61.51 1nex h SER 314 Cb 1.39 0.13 -0.11 0.00 -0.31 0.00 0.00 62.40 63.50 1nex h SER 314 CO 0.09 0.04 0.32 0.25 -0.87 0.00 0.00 176.83 176.67 1nex h LEU 315 N 0.31 0.28 0.00 5.97 6.46 -1.95 0.70 115.31 127.08 1nex h LEU 315 Ca 0.32 0.13 0.00 0.00 -0.12 0.00 0.00 57.88 58.21 1nex h LEU 315 Cb 0.47 0.11 0.00 0.00 -0.73 0.00 0.00 40.66 40.51 1nex h LEU 315 CO -0.38 0.07 -0.24 -0.50 -0.62 0.00 0.00 178.44 176.77 1nex h TRP 316 N 0.43 0.00 -0.12 1.25 4.06 -1.29 -3.13 115.95 117.14 1nex h TRP 316 Ca 0.46 0.00 -0.04 0.00 2.06 0.00 0.00 58.89 61.37 1nex h TRP 316 Cb 0.77 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.92 1nex h TRP 316 CO -0.16 0.00 -0.08 -0.22 -3.56 0.00 0.00 178.44 174.41 1nex h LYS 317 N 0.00 0.27 -0.78 0.49 3.64 0.43 -2.36 116.57 118.26 1nex h LYS 317 Ca 0.00 -0.13 0.03 0.00 -1.27 0.00 0.00 60.65 59.28 1nex h LYS 317 Cb 0.97 -0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.74 1nex h LYS 317 CO 0.00 0.64 0.50 0.87 -2.27 0.00 0.00 179.45 179.18 1nex h LYS 318 N -0.09 0.94 0.07 1.90 1.57 -1.15 -1.97 116.57 117.83 1nex h LYS 318 Ca 0.02 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1nex h LYS 318 Cb 0.57 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.67 1nex h LYS 318 CO 0.02 0.62 -0.03 -0.07 -0.57 0.00 0.00 179.45 179.42 1nex h LEU 319 N 0.96 -0.08 -0.67 2.94 3.38 -1.48 0.15 115.31 120.51 1nex h LEU 319 Ca 0.31 -0.05 0.09 0.00 0.09 0.00 0.00 57.88 58.32 1nex h LEU 319 Cb 0.02 0.02 -0.07 0.00 0.09 0.00 0.00 40.66 40.72 1nex h LEU 319 CO -0.11 -0.01 0.32 -0.07 0.09 0.00 0.00 178.44 178.66 1nex h LEU 320 N -0.15 0.40 -0.33 1.67 3.38 -1.16 -1.63 115.31 117.49 1nex h LEU 320 Ca -0.01 0.06 -0.06 0.00 0.09 0.00 0.00 57.88 57.96 1nex h LEU 320 Cb 0.12 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1nex h LEU 320 CO 0.02 0.24 -0.03 0.40 0.09 0.00 0.00 178.44 179.16 1nex h ILE 321 N 0.55 1.27 -0.88 1.22 2.04 -1.12 0.38 117.51 120.97 1nex h ILE 321 Ca 0.33 -1.02 -0.02 0.00 1.00 0.00 0.00 64.86 65.15 1nex h ILE 321 Cb 0.35 1.27 -0.04 0.00 -0.74 0.00 0.00 36.82 37.65 1nex h ILE 321 CO -0.27 0.33 0.48 0.77 0.00 0.00 0.00 178.15 179.46 1nex h SER 322 N 0.40 1.10 0.20 1.72 4.64 -0.01 0.17 113.55 121.77 1nex h SER 322 Ca 0.09 -0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1nex h SER 322 Cb 0.49 -0.28 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 1nex h SER 322 CO 0.02 0.89 0.00 -0.62 -0.87 0.00 0.00 176.83 176.25 1nex n GLU 323 N -4.33 0.76 -3.20 4.77 -0.58 -0.68 -4.89 120.64 112.49 1nex n GLU 323 Ca 0.09 0.00 -0.15 0.00 -0.42 0.00 0.00 57.16 56.68 1nex n GLU 323 Cb 0.10 -1.50 0.05 0.00 -0.57 0.00 0.00 31.44 29.53 1nex n GLU 323 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1nex n ASN 324 N -1.10 -4.66 0.11 1.62 3.02 0.61 -4.91 115.26 109.94 1nex n ASN 324 Ca 0.20 -0.36 0.12 0.00 -0.03 0.00 0.00 54.58 54.51 1nex n ASN 324 Cb 0.15 -3.48 0.08 0.00 -0.61 0.00 0.00 39.78 35.92 1nex n ASN 324 CO 0.00 0.00 0.00 -0.26 -2.62 0.00 0.00 177.26 174.38 1nex h PHE 325 N -1.74 0.00 -2.62 3.10 0.05 -0.45 -3.45 116.94 111.83 1nex h PHE 325 Ca -0.37 0.00 -0.05 0.00 3.82 0.00 0.00 57.97 61.36 1nex h PHE 325 Cb 1.24 0.00 -0.16 0.00 2.00 0.00 0.00 35.95 39.03 1nex h PHE 325 CO 0.32 0.00 0.11 0.54 -0.18 0.00 0.00 178.31 179.11 1nex s VAL 326 N -3.28 0.02 0.30 -0.55 0.11 -1.23 -5.01 120.40 110.75 1nex s VAL 326 Ca 0.03 -0.13 -0.04 0.00 -2.93 0.00 0.00 61.98 58.91 1nex s VAL 326 Cb 0.10 -0.98 -0.05 0.00 -1.53 0.00 0.00 36.38 33.92 1nex s VAL 326 CO 0.75 -0.07 0.55 -0.44 -3.33 0.00 0.00 175.10 172.56 1nex s SER 327 N -1.93 6.42 0.25 3.54 0.01 -1.26 -4.24 113.70 116.48 1nex s SER 327 Ca -0.05 0.67 -0.05 0.00 1.31 0.00 0.00 55.95 57.83 1nex s SER 327 Cb -0.01 -2.12 0.35 0.00 0.21 0.00 0.00 66.02 64.44 1nex s SER 327 CO -0.01 -0.21 1.86 -0.65 0.41 0.00 0.00 173.24 174.63 1nex h PRO 328 N 1.53 0.98 0.00 12.44 0.11 -1.99 -0.92 132.00 144.15 1nex h PRO 328 Ca -0.48 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.57 1nex h PRO 328 Cb 1.19 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 32.08 1nex h PRO 328 CO 0.65 0.65 -0.22 0.87 -0.21 0.00 0.00 178.00 179.74 1nex h LYS 329 N 1.00 0.00 -0.48 1.05 1.57 -2.06 -3.15 116.57 114.50 1nex h LYS 329 Ca 0.38 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.16 1nex h LYS 329 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.48 1nex h LYS 329 CO -0.17 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.12 1nex n GLY 330 N 1.24 1.37 0.52 3.86 0.00 -0.44 -4.55 105.19 107.19 1nex n GLY 330 Ca 0.04 -0.57 -0.20 0.00 0.00 0.00 0.00 46.02 45.30 1nex n GLY 330 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1nex h PHE 331 N 3.09 -1.31 -0.55 1.61 3.57 -1.27 -3.14 116.94 118.95 1nex h PHE 331 Ca 0.00 -0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.58 1nex h PHE 331 Cb 0.70 0.47 -0.11 0.00 2.79 0.00 0.00 35.95 39.80 1nex h PHE 331 CO 0.32 -0.74 -0.38 -0.91 -2.23 0.00 0.00 178.31 174.37 1nex h ASN 332 N -1.22 -1.29 -0.60 0.41 4.21 -1.85 -0.55 115.58 114.68 1nex h ASN 332 Ca -0.11 0.23 0.12 0.00 1.21 0.00 0.00 56.30 57.75 1nex h ASN 332 Cb 0.98 0.61 -0.12 0.00 -1.12 0.00 0.00 38.32 38.67 1nex h ASN 332 CO 0.12 -0.32 -0.23 -1.28 -1.29 0.00 0.00 177.43 174.43 1nex h SER 333 N -0.21 -0.80 -0.48 5.81 0.87 -1.88 0.35 113.55 117.21 1nex h SER 333 Ca 0.20 0.20 -0.02 0.00 -1.23 0.00 0.00 61.79 60.94 1nex h SER 333 Cb 0.56 0.46 -0.02 0.00 -0.44 0.00 0.00 62.40 62.95 1nex h SER 333 CO -0.66 -0.25 0.23 0.25 -0.53 0.00 0.00 176.83 175.87 1nex h LEU 334 N -0.08 0.63 -0.11 2.23 5.85 -1.28 0.12 115.31 122.67 1nex h LEU 334 Ca 0.27 -0.13 0.03 0.00 0.84 0.00 0.00 57.88 58.89 1nex h LEU 334 Cb 0.50 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.34 1nex h LEU 334 CO -0.65 0.59 -0.07 -1.13 -0.34 0.00 0.00 178.44 176.84 1nex h ASN 335 N 0.63 -0.22 -0.86 1.25 -0.73 0.48 -0.97 115.58 115.16 1nex h ASN 335 Ca 0.17 0.05 -0.01 0.00 1.87 0.00 0.00 56.30 58.38 1nex h ASN 335 Cb 0.12 0.12 -0.04 0.00 0.27 0.00 0.00 38.32 38.79 1nex h ASN 335 CO -0.02 -0.09 0.51 0.25 -0.37 0.00 0.00 177.43 177.71 1nex h LEU 336 N -0.07 1.05 -1.10 0.34 7.12 -0.17 -1.01 115.31 121.47 1nex h LEU 336 Ca 0.07 -0.07 0.04 0.00 0.13 0.00 0.00 57.88 58.05 1nex h LEU 336 Cb 0.17 -0.27 -0.06 0.00 -0.53 0.00 0.00 40.66 39.98 1nex h LEU 336 CO -0.15 0.81 0.61 0.11 -0.13 0.00 0.00 178.44 179.69 1nex h LYS 337 N 1.20 1.11 -0.52 1.25 1.79 -0.18 -2.34 116.57 118.88 1nex h LYS 337 Ca 0.31 -0.07 -0.12 0.00 -2.18 0.00 0.00 60.65 58.59 1nex h LYS 337 Cb -0.03 -0.25 -0.02 0.00 -1.58 0.00 0.00 32.23 30.35 1nex h LYS 337 CO -0.06 0.73 -0.14 -0.07 -1.08 0.00 0.00 179.45 178.84 1nex h LEU 338 N 1.14 1.03 -1.30 2.94 3.38 0.01 -2.52 115.31 120.00 1nex h LEU 338 Ca 0.38 -0.37 0.07 0.00 0.09 0.00 0.00 57.88 58.06 1nex h LEU 338 Cb 0.06 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.47 1nex h LEU 338 CO -0.12 1.16 0.52 -1.28 0.09 0.00 0.00 178.44 178.81 1nex h SER 339 N 0.89 0.73 0.63 -0.43 0.87 -0.70 1.18 113.55 116.72 1nex h SER 339 Ca 0.13 0.01 -0.17 0.00 -1.23 0.00 0.00 61.79 60.53 1nex h SER 339 Cb 0.72 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 62.51 1nex h SER 339 CO 0.05 0.46 -0.78 1.56 -0.53 0.00 0.00 176.83 177.60 1nex h GLN 340 N 0.82 0.11 -0.04 2.24 1.08 -1.39 -2.98 115.11 114.95 1nex h GLN 340 Ca 0.35 -0.11 -0.05 0.00 -1.45 0.00 0.00 58.65 57.39 1nex h GLN 340 Cb 0.30 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.76 1nex h GLN 340 CO -0.13 0.83 -0.17 -0.22 -0.95 0.00 0.00 178.83 178.20 1nex h LYS 341 N 0.07 0.18 -2.49 1.46 1.63 -0.43 -3.39 116.57 113.61 1nex h LYS 341 Ca -0.02 -0.14 -0.60 0.00 -0.85 0.00 0.00 60.65 59.03 1nex h LYS 341 Cb 1.36 0.03 -0.41 0.00 -0.60 0.00 0.00 32.23 32.61 1nex h LYS 341 CO 0.11 0.79 -0.69 0.66 -3.45 0.00 0.00 179.45 176.86 1nex n TYR 342 N -4.59 2.52 -0.28 1.91 4.01 0.38 -4.96 117.16 116.16 1nex n TYR 342 Ca -0.08 -4.05 0.04 0.00 -0.16 0.00 0.00 57.90 53.65 1nex n TYR 342 Cb 0.41 -0.47 0.18 0.00 -0.31 0.00 0.00 39.34 39.16 1nex n TYR 342 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 1nex h PRO 343 N 4.71 0.63 -0.00 -0.72 0.11 -1.74 -2.51 132.00 132.48 1nex h PRO 343 Ca 0.17 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.25 1nex h PRO 343 Cb 0.75 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.71 1nex h PRO 343 CO 0.70 0.41 -0.10 0.36 -0.21 0.00 0.00 178.00 179.17 1nex n LYS 344 N -4.85 0.04 -3.03 1.05 -0.00 -1.26 -4.88 118.16 105.23 1nex n LYS 344 Ca 0.14 -0.01 -0.28 0.00 -0.00 0.00 0.00 58.31 58.17 1nex n LYS 344 Cb 0.34 -1.50 -0.02 0.00 -0.00 0.00 0.00 35.03 33.86 1nex n LYS 344 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1nex s LEU 345 N -2.97 3.87 0.69 -5.58 1.43 -0.94 -5.09 118.68 110.09 1nex s LEU 345 Ca 0.14 0.81 -0.08 0.00 -1.03 0.00 0.00 54.13 53.98 1nex s LEU 345 Cb 0.19 -3.69 0.05 0.00 0.03 0.00 0.00 46.19 42.76 1nex s LEU 345 CO 0.56 -0.38 1.02 -0.94 0.23 0.00 0.00 176.35 176.84 1nex s SER 346 N -3.63 5.01 0.11 2.29 1.04 -1.26 -4.85 113.70 112.40 1nex s SER 346 Ca 0.46 0.63 -0.21 0.00 0.48 0.00 0.00 55.95 57.31 1nex s SER 346 Cb -0.10 -1.35 -0.09 0.00 0.10 0.00 0.00 66.02 64.57 1nex s SER 346 CO 0.36 -1.50 1.75 -0.61 0.98 0.00 0.00 173.24 174.22 1nex h GLN 347 N -0.58 0.19 -0.00 4.02 4.15 -1.97 -0.36 115.11 120.56 1nex h GLN 347 Ca -0.45 -0.01 0.03 0.00 0.77 0.00 0.00 58.65 58.99 1nex h GLN 347 Cb 1.30 -0.04 -0.04 0.00 0.21 0.00 0.00 27.48 28.90 1nex h GLN 347 CO 0.62 0.15 -0.24 1.96 -1.93 0.00 0.00 178.83 179.38 1nex h GLN 348 N 0.18 -0.36 -0.62 1.69 7.50 -1.88 -2.07 115.11 119.55 1nex h GLN 348 Ca 0.05 0.02 0.07 0.00 0.50 0.00 0.00 58.65 59.30 1nex h GLN 348 Cb -0.00 0.08 -0.06 0.00 0.05 0.00 0.00 27.48 27.55 1nex h GLN 348 CO -0.01 -0.24 0.30 -0.44 -1.50 0.00 0.00 178.83 176.94 1nex h ASP 349 N -0.38 0.41 0.46 1.46 5.19 -1.76 -1.40 116.42 120.39 1nex h ASP 349 Ca 0.06 0.05 -0.01 0.00 -0.62 0.00 0.00 57.03 56.51 1nex h ASP 349 Cb 0.46 -0.02 -0.02 0.00 0.18 0.00 0.00 39.33 39.93 1nex h ASP 349 CO -0.22 0.26 -0.43 0.03 -3.12 0.00 0.00 179.24 175.76 1nex h ARG 350 N 0.55 -0.86 -0.83 3.56 3.08 -0.75 -1.61 114.38 117.52 1nex h ARG 350 Ca 0.29 0.06 0.18 0.00 0.07 0.00 0.00 59.98 60.58 1nex h ARG 350 Cb 0.26 0.20 -0.11 0.00 0.08 0.00 0.00 29.97 30.40 1nex h ARG 350 CO -0.22 -0.58 0.34 -0.07 -1.07 0.00 0.00 179.97 178.37 1nex h LEU 351 N -0.90 0.29 -1.13 3.04 3.38 -1.07 0.57 115.31 119.49 1nex h LEU 351 Ca -0.05 0.13 0.03 0.00 0.09 0.00 0.00 57.88 58.08 1nex h LEU 351 Cb 0.78 0.11 -0.05 0.00 0.09 0.00 0.00 40.66 41.60 1nex h LEU 351 CO -0.05 0.06 0.59 -0.09 0.09 0.00 0.00 178.44 179.04 1nex h ARG 352 N 0.42 1.11 -0.21 1.13 2.43 -0.80 0.56 114.38 119.03 1nex h ARG 352 Ca 0.48 -0.07 -0.19 0.00 -0.81 0.00 0.00 59.98 59.39 1nex h ARG 352 Cb 0.82 -0.25 0.00 0.00 -0.42 0.00 0.00 29.97 30.12 1nex h ARG 352 CO -0.47 0.74 -0.63 -0.07 -1.51 0.00 0.00 179.97 178.03 1nex h LEU 353 N 1.15 0.86 -0.16 3.80 3.38 0.98 -1.50 115.31 123.81 1nex h LEU 353 Ca 0.35 -0.50 -0.00 0.00 0.09 0.00 0.00 57.88 57.82 1nex h LEU 353 Cb -0.02 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 1nex h LEU 353 CO -0.10 1.28 0.09 -1.28 0.09 0.00 0.00 178.44 178.52 1nex h SER 354 N 0.55 0.20 0.28 -0.43 0.87 -0.02 0.94 113.55 115.93 1nex h SER 354 Ca -0.01 -0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.49 1nex h SER 354 Cb 1.23 -0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 63.11 1nex h SER 354 CO 0.13 0.21 -0.33 0.15 -0.53 0.00 0.00 176.83 176.46 1nex h PHE 355 N 0.17 -0.88 -0.84 2.24 3.57 -0.88 0.31 116.94 120.64 1nex h PHE 355 Ca 0.06 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.62 1nex h PHE 355 Cb 0.05 0.35 -0.05 0.00 2.79 0.00 0.00 35.95 39.09 1nex h PHE 355 CO -0.05 -0.46 0.55 -0.07 -2.23 0.00 0.00 178.31 176.06 1nex h LEU 356 N -0.65 0.85 -0.71 0.59 3.38 -1.08 -0.78 115.31 116.92 1nex h LEU 356 Ca -0.01 -0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.83 1nex h LEU 356 Cb 0.61 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 1nex h LEU 356 CO -0.09 0.56 -0.50 -0.08 0.09 0.00 0.00 178.44 178.42 1nex h GLU 357 N 0.97 0.37 0.00 1.13 4.81 -0.39 -2.69 114.58 118.79 1nex h GLU 357 Ca 0.35 -0.21 -0.17 0.00 -0.13 0.00 0.00 59.36 59.19 1nex h GLU 357 Cb 0.14 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.52 1nex h GLU 357 CO -0.12 0.79 -0.82 -0.91 -0.73 0.00 0.00 179.01 177.22 1nex h ASN 358 N 0.30 0.00 -0.08 1.04 -0.26 -0.11 -2.56 115.58 113.90 1nex h ASN 358 Ca 0.01 0.00 -0.03 0.00 -0.56 0.00 0.00 56.30 55.72 1nex h ASN 358 Cb 0.98 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 38.24 1nex h ASN 358 CO 0.08 0.82 -0.09 0.40 -1.06 0.00 0.00 177.43 177.59 1nex h ILE 359 N 0.00 1.38 -0.46 2.81 2.04 -1.15 -1.10 117.51 121.04 1nex h ILE 359 Ca -0.01 -1.27 0.08 0.00 1.00 0.00 0.00 64.86 64.66 1nex h ILE 359 Cb 1.50 2.05 -0.10 0.00 -0.74 0.00 0.00 36.82 39.54 1nex h ILE 359 CO 0.11 0.35 -0.35 0.15 0.00 0.00 0.00 178.15 178.41 1nex h PHE 360 N -0.25 -0.99 -0.61 1.37 3.57 -1.49 0.16 116.94 118.70 1nex h PHE 360 Ca 0.01 0.06 -0.03 0.00 3.53 0.00 0.00 57.97 61.55 1nex h PHE 360 Cb 0.61 0.50 -0.03 0.00 2.79 0.00 0.00 35.95 39.82 1nex h PHE 360 CO 0.09 -0.40 0.28 0.82 -2.23 0.00 0.00 178.31 176.88 1nex h ILE 361 N -0.24 1.22 -0.51 1.41 2.04 -1.40 -3.01 117.51 117.02 1nex h ILE 361 Ca 0.18 -0.64 -0.04 0.00 1.00 0.00 0.00 64.86 65.36 1nex h ILE 361 Cb 0.55 0.51 -0.02 0.00 -0.74 0.00 0.00 36.82 37.12 1nex h ILE 361 CO -0.59 0.26 0.14 0.25 0.00 0.00 0.00 178.15 178.21 1nex h LEU 362 N 0.85 0.76 -1.31 1.44 5.85 -0.25 -2.03 115.31 120.62 1nex h LEU 362 Ca 0.21 -0.22 0.19 0.00 0.84 0.00 0.00 57.88 58.90 1nex h LEU 362 Cb 0.14 -0.20 -0.08 0.00 0.37 0.00 0.00 40.66 40.89 1nex h LEU 362 CO -0.02 0.78 0.61 0.11 -0.34 0.00 0.00 178.44 179.57 1nex h LYS 363 N 0.70 0.55 0.04 1.25 6.56 -0.60 0.25 116.57 125.32 1nex h LYS 363 Ca 0.16 -0.03 -0.00 0.00 -1.06 0.00 0.00 60.65 59.72 1nex h LYS 363 Cb 0.30 -0.12 0.00 0.00 -0.57 0.00 0.00 32.23 31.84 1nex h LYS 363 CO -0.00 0.36 -0.02 -0.91 -2.06 0.00 0.00 179.45 176.82 1nex h ASN 364 N 0.57 -0.05 -0.39 0.86 -0.26 -1.32 -0.99 115.58 113.99 1nex h ASN 364 Ca 0.51 -0.45 0.08 0.00 -0.56 0.00 0.00 56.30 55.87 1nex h ASN 364 Cb 1.04 0.01 -0.07 0.00 -1.06 0.00 0.00 38.32 38.24 1nex h ASN 364 CO -0.25 0.44 -0.08 -0.50 -1.06 0.00 0.00 177.43 175.98 1nex h TRP 365 N -0.55 -0.18 0.00 1.19 4.06 -0.56 -1.47 115.95 118.44 1nex h TRP 365 Ca -0.01 0.03 0.00 0.00 2.06 0.00 0.00 58.89 60.98 1nex h TRP 365 Cb 0.50 0.14 0.00 0.00 -1.00 0.00 0.00 29.16 28.80 1nex h TRP 365 CO 0.09 -0.16 0.00 1.88 -3.56 0.00 0.00 178.44 176.69 1nex h TYR 366 N 0.01 0.00 -3.16 0.49 0.05 -0.98 -3.43 116.97 109.95 1nex h TYR 366 Ca 0.19 0.00 -0.55 0.00 0.05 0.00 0.00 58.73 58.42 1nex h TYR 366 Cb 0.29 0.00 -0.06 0.00 1.01 0.00 0.00 36.73 37.96 1nex h TYR 366 CO -0.34 0.00 1.03 1.21 -1.05 0.00 0.00 178.16 179.01 1nex s ASN 367 N -5.21 6.34 0.39 3.88 3.84 -0.38 -4.90 114.94 118.90 1nex s ASN 367 Ca 0.02 0.36 0.12 0.00 0.21 0.00 0.00 52.86 53.58 1nex s ASN 367 Cb 0.09 -2.55 0.94 0.00 -0.55 0.00 0.00 41.25 39.18 1nex s ASN 367 CO 0.50 -1.52 1.91 -0.65 -2.79 0.00 0.00 177.10 174.54 1nex h PRO 368 N 10.27 0.53 0.00 0.43 0.11 -1.84 -1.31 132.00 140.20 1nex h PRO 368 Ca -0.26 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1nex h PRO 368 Cb 1.08 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.07 1nex h PRO 368 CO 1.16 0.35 0.00 -0.22 -0.21 0.00 0.00 178.00 179.08 1nex h LYS 369 N 0.55 0.00 -6.60 1.05 3.64 -1.92 -3.46 116.57 109.83 1nex h LYS 369 Ca 0.39 0.00 -0.53 0.00 -1.27 0.00 0.00 60.65 59.24 1nex h LYS 369 Cb 0.73 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.56 1nex h LYS 369 CO -0.15 0.00 0.58 0.12 -2.27 0.00 0.00 179.45 177.74 1nex s PHE 370 N -3.12 3.40 -0.28 1.91 2.19 -0.49 -5.03 117.98 116.56 1nex s PHE 370 Ca 0.10 1.32 -0.06 0.00 0.33 0.00 0.00 56.93 58.62 1nex s PHE 370 Cb 0.11 -3.46 0.01 0.00 -1.31 0.00 0.00 43.02 38.37 1nex s PHE 370 CO 0.61 -1.39 0.05 0.08 1.83 0.00 0.00 175.22 176.40 1nex s VAL 371 N 0.43 3.78 1.03 3.12 1.01 -1.26 -5.00 120.40 123.50 1nex s VAL 371 Ca 0.56 -0.71 -0.12 0.00 0.00 0.00 0.00 61.98 61.72 1nex s VAL 371 Cb -0.32 -2.93 0.21 0.00 0.00 0.00 0.00 36.38 33.34 1nex s VAL 371 CO 0.34 0.13 1.08 -2.84 0.00 0.00 0.00 175.10 173.80 1nex s PRO 372 N 1.48 0.17 -0.21 2.72 0.02 -1.26 -4.98 135.00 132.93 1nex s PRO 372 Ca 0.03 1.07 -0.17 0.00 0.02 0.00 0.00 61.00 61.94 1nex s PRO 372 Cb -0.17 -1.66 -0.03 0.00 0.02 0.00 0.00 34.50 32.65 1nex s PRO 372 CO 0.01 -3.06 0.46 -1.14 -0.33 0.00 0.00 177.00 172.94 1nex s GLN 373 N -4.63 4.16 -0.08 5.54 0.74 -0.72 -4.89 119.66 119.78 1nex s GLN 373 Ca 0.67 0.29 -0.01 0.00 0.05 0.00 0.00 55.36 56.36 1nex s GLN 373 Cb -0.23 -3.56 -0.03 0.00 1.10 0.00 0.00 33.01 30.29 1nex s GLN 373 CO 0.61 -0.13 -0.02 0.50 -0.55 0.00 0.00 175.29 175.70 1nex s ARG 374 N 1.58 2.96 -0.11 1.67 3.52 -1.26 -1.36 118.95 125.95 1nex s ARG 374 Ca 0.21 -0.45 -0.03 0.00 -0.13 0.00 0.00 55.73 55.33 1nex s ARG 374 Cb -0.15 -2.74 0.04 0.00 -1.56 0.00 0.00 34.95 30.54 1nex s ARG 374 CO 0.09 0.67 0.04 0.99 -0.81 0.00 0.00 175.30 176.27 1nex s THR 375 N -0.79 0.20 -0.20 4.11 2.01 -0.90 -5.00 115.64 115.08 1nex s THR 375 Ca 0.12 0.00 -0.08 0.00 0.31 0.00 0.00 61.69 62.05 1nex s THR 375 Cb -0.11 -0.55 -0.04 0.00 0.01 0.00 0.00 72.50 71.81 1nex s THR 375 CO 0.02 0.04 0.07 -0.89 -0.69 0.00 0.00 174.62 173.17 1nex s THR 376 N 2.03 4.79 0.21 -0.82 2.01 -1.26 -1.05 115.64 121.55 1nex s THR 376 Ca 0.03 -0.03 0.11 0.00 0.31 0.00 0.00 61.69 62.11 1nex s THR 376 Cb -0.14 -3.17 -0.04 0.00 0.01 0.00 0.00 72.50 69.15 1nex s THR 376 CO -0.06 0.43 -0.19 -0.76 -0.69 0.00 0.00 174.62 173.35 1nex s LEU 377 N 0.60 2.62 0.48 4.42 1.43 0.33 -4.95 118.68 123.60 1nex s LEU 377 Ca 0.04 -0.83 -0.23 0.00 -1.03 0.00 0.00 54.13 52.08 1nex s LEU 377 Cb -0.13 -1.29 -0.07 0.00 0.03 0.00 0.00 46.19 44.74 1nex s LEU 377 CO 0.01 0.10 1.23 -0.60 0.23 0.00 0.00 176.35 177.32 1nex s ARG 378 N -2.91 3.62 0.00 1.70 3.52 -1.26 -0.47 118.95 123.14 1nex s ARG 378 Ca 0.24 1.95 0.00 0.00 -0.13 0.00 0.00 55.73 57.79 1nex s ARG 378 Cb -0.07 -2.41 0.00 0.00 -1.56 0.00 0.00 34.95 30.90 1nex s ARG 378 CO 0.12 -0.71 0.00 0.41 -0.81 0.00 0.00 175.30 174.31 1nex n GLY 379 N 0.55 2.81 0.00 8.12 0.00 -1.12 -4.50 105.19 111.05 1nex n GLY 379 Ca 0.08 -1.72 0.00 0.00 0.00 0.00 0.00 46.02 44.37 1nex n GLY 379 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1nex n HIS 380 N 0.00 0.00 0.00 1.61 8.25 -1.26 -4.99 115.22 118.83 1nex n HIS 380 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1nex n HIS 380 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1nex n HIS 380 CO 0.00 0.00 0.00 -2.37 0.64 0.00 0.00 176.34 174.61 1nex n THR 382 N 0.00 0.00 0.73 1.59 5.66 -1.26 -4.60 114.28 116.40 1nex n THR 382 Ca 0.00 0.00 0.12 0.00 -3.05 0.00 0.00 64.05 61.12 1nex n THR 382 Cb 0.00 0.00 0.49 0.00 -1.55 0.00 0.00 70.33 69.27 1nex n THR 382 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 1nex n SER 383 N 0.00 0.30 -4.52 1.09 3.41 -1.26 -4.14 113.62 108.50 1nex n SER 383 Ca 0.00 0.54 -0.35 0.00 -0.26 0.00 0.00 58.87 58.80 1nex n SER 383 Cb 0.00 -0.62 -0.11 0.00 -0.26 0.00 0.00 64.21 63.22 1nex n SER 383 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1nex s VAL 384 N -3.07 4.28 -0.16 -3.33 1.01 -1.26 -3.86 120.40 114.02 1nex s VAL 384 Ca 0.10 -0.21 -0.12 0.00 0.00 0.00 0.00 61.98 61.76 1nex s VAL 384 Cb 0.14 -2.93 -0.05 0.00 0.00 0.00 0.00 36.38 33.54 1nex s VAL 384 CO 0.48 0.44 0.23 -0.63 0.00 0.00 0.00 175.10 175.62 1nex s ILE 385 N 0.73 5.34 -0.89 2.22 -1.09 -1.26 -4.26 121.20 121.99 1nex s ILE 385 Ca 0.01 0.42 0.23 0.00 -2.23 0.00 0.00 60.65 59.08 1nex s ILE 385 Cb -0.14 -3.56 -0.13 0.00 -1.58 0.00 0.00 42.46 37.05 1nex s ILE 385 CO 0.02 0.43 1.09 0.35 -1.23 0.00 0.00 174.94 175.61 1nex n THR 386 N 3.34 0.04 -3.56 2.92 -2.24 -0.25 -4.82 114.28 109.71 1nex n THR 386 Ca -0.14 -0.06 -0.11 0.00 -2.27 0.00 0.00 64.05 61.47 1nex n THR 386 Cb 0.52 0.55 -0.04 0.00 -2.10 0.00 0.00 70.33 69.26 1nex n THR 386 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1nex s LEU 388 N -1.44 0.92 0.03 0.00 0.20 -1.26 -1.45 118.68 115.68 1nex s LEU 388 Ca -0.01 0.36 0.08 0.00 0.69 0.00 0.00 54.13 55.26 1nex s LEU 388 Cb -0.01 0.53 -0.02 0.00 -0.43 0.00 0.00 46.19 46.26 1nex s LEU 388 CO -0.00 -0.11 -0.24 -1.10 -0.29 0.00 0.00 176.35 174.61 1nex s GLN 389 N 0.73 1.70 -0.21 1.98 -1.52 0.19 -4.99 119.66 117.55 1nex s GLN 389 Ca -0.05 -0.98 -0.05 0.00 -1.95 0.00 0.00 55.36 52.33 1nex s GLN 389 Cb -0.07 -1.79 0.07 0.00 -0.22 0.00 0.00 33.01 31.00 1nex s GLN 389 CO -0.04 0.47 0.10 0.12 -0.25 0.00 0.00 175.29 175.69 1nex s PHE 390 N -0.73 0.31 0.20 0.91 5.36 -1.26 -0.40 117.98 122.38 1nex s PHE 390 Ca 0.10 -0.53 -0.21 0.00 -0.96 0.00 0.00 56.93 55.33 1nex s PHE 390 Cb -0.09 -0.79 0.05 0.00 -0.34 0.00 0.00 43.02 41.84 1nex s PHE 390 CO 0.01 -0.61 0.61 -1.21 -1.46 0.00 0.00 175.22 172.56 1nex s GLU 391 N 2.10 1.43 -1.22 10.12 0.41 -0.57 -4.98 118.70 125.99 1nex s GLU 391 Ca 0.04 -0.70 -0.01 0.00 -0.41 0.00 0.00 54.97 53.89 1nex s GLU 391 Cb -0.16 0.58 0.00 0.00 -1.78 0.00 0.00 34.13 32.77 1nex s GLU 391 CO -0.17 -0.63 0.02 -0.25 -0.49 0.00 0.00 175.26 173.74 1nex n ASP 392 N -0.39 0.60 -1.70 -0.19 8.00 -1.26 0.19 116.55 121.79 1nex n ASP 392 Ca -0.12 -1.02 -0.15 0.00 0.71 0.00 0.00 54.79 54.21 1nex n ASP 392 Cb 0.63 -1.27 -0.05 0.00 -0.02 0.00 0.00 41.12 40.41 1nex n ASP 392 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1nex n ASN 393 N -2.21 -4.03 -4.39 -2.24 3.02 -1.26 -4.93 115.26 99.21 1nex n ASN 393 Ca -0.26 0.30 -0.32 0.00 -0.03 0.00 0.00 54.58 54.27 1nex n ASN 393 Cb 0.55 -3.62 -0.14 0.00 -0.61 0.00 0.00 39.78 35.96 1nex n ASN 393 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1nex s TYR 394 N -2.38 2.68 -0.29 3.10 2.02 0.50 -1.40 117.35 121.58 1nex s TYR 394 Ca 0.00 -0.45 0.02 0.00 -0.37 0.00 0.00 57.07 56.27 1nex s TYR 394 Cb 0.00 -1.69 0.07 0.00 -0.40 0.00 0.00 41.96 39.94 1nex s TYR 394 CO 0.00 -0.04 -0.05 0.08 -1.57 0.00 0.00 175.55 173.97 1nex s VAL 395 N -0.24 2.35 -0.06 0.71 1.01 0.04 -1.51 120.40 122.71 1nex s VAL 395 Ca 0.00 -1.78 -0.01 0.00 0.00 0.00 0.00 61.98 60.19 1nex s VAL 395 Cb -0.13 -2.47 -0.03 0.00 0.00 0.00 0.00 36.38 33.74 1nex s VAL 395 CO 0.03 -0.19 0.02 -0.63 0.00 0.00 0.00 175.10 174.32 1nex s ILE 396 N 1.08 4.38 0.07 2.22 1.09 0.47 -0.80 121.20 129.70 1nex s ILE 396 Ca -0.03 -0.32 0.01 0.00 -1.10 0.00 0.00 60.65 59.21 1nex s ILE 396 Cb -0.20 -2.89 -0.04 0.00 -1.06 0.00 0.00 42.46 38.28 1nex s ILE 396 CO -0.05 0.53 -0.06 0.42 -0.10 0.00 0.00 174.94 175.68 1nex s THR 397 N -0.97 0.48 0.13 2.92 -4.23 -0.50 0.55 115.64 114.03 1nex s THR 397 Ca 0.16 -1.63 0.03 0.00 -1.18 0.00 0.00 61.69 59.06 1nex s THR 397 Cb -0.11 -1.28 -0.04 0.00 1.34 0.00 0.00 72.50 72.40 1nex s THR 397 CO 0.05 -0.77 -0.06 -0.83 -0.54 0.00 0.00 174.62 172.47 1nex s GLY 398 N -2.56 0.97 0.25 3.99 0.00 -0.53 -1.44 107.32 107.99 1nex s GLY 398 Ca 0.03 -1.45 -0.14 0.00 0.00 0.00 0.00 44.72 43.16 1nex s GLY 398 CO -0.05 -1.52 0.51 0.00 0.00 0.00 0.00 173.10 172.05 1nex s ALA 399 N -3.54 -0.43 -1.94 3.20 0.00 -1.26 -1.09 121.76 116.71 1nex s ALA 399 Ca 0.16 -0.75 0.14 0.00 0.00 0.00 0.00 51.96 51.51 1nex s ALA 399 Cb 0.05 1.01 0.81 0.00 0.00 0.00 0.00 23.12 24.99 1nex s ALA 399 CO -0.01 -0.87 1.26 -3.47 0.00 0.00 0.00 175.76 172.66 1nex n ASP 400 N -0.39 0.00 -1.07 0.00 2.03 -1.26 -1.60 116.55 114.27 1nex n ASP 400 Ca -0.03 -0.37 0.03 0.00 0.52 0.00 0.00 54.79 54.94 1nex n ASP 400 Cb 0.62 -0.03 0.17 0.00 -0.72 0.00 0.00 41.12 41.15 1nex n ASP 400 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 1nex n ASP 401 N -1.03 2.95 -3.48 1.67 5.75 -1.26 -4.25 116.55 116.89 1nex n ASP 401 Ca 0.10 -2.38 -0.16 0.00 -0.01 0.00 0.00 54.79 52.34 1nex n ASP 401 Cb 0.05 -0.57 0.01 0.00 -1.03 0.00 0.00 41.12 39.58 1nex n ASP 401 CO 0.00 0.00 0.00 2.29 -0.11 0.00 0.00 177.20 179.38 1nex n LYS 402 N 0.26 -1.40 -3.31 0.11 2.85 -0.63 -4.95 118.16 111.10 1nex n LYS 402 Ca 0.11 1.00 0.03 0.00 -1.05 0.00 0.00 58.31 58.40 1nex n LYS 402 Cb 0.64 -3.97 -0.03 0.00 -0.65 0.00 0.00 35.03 31.02 1nex n LYS 402 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 1nex s ILE 404 N -3.07 -0.69 -0.04 0.58 1.01 -0.89 -4.41 121.20 113.69 1nex s ILE 404 Ca 0.08 0.00 -0.10 0.00 0.00 0.00 0.00 60.65 60.63 1nex s ILE 404 Cb -0.03 -1.00 -0.05 0.00 0.01 0.00 0.00 42.46 41.39 1nex s ILE 404 CO 0.83 0.00 0.28 -0.13 0.00 0.00 0.00 174.94 175.92 1nex s ARG 405 N 2.77 3.66 -0.12 2.79 1.81 -0.52 0.01 118.95 129.35 1nex s ARG 405 Ca 0.04 0.09 0.03 0.00 -1.72 0.00 0.00 55.73 54.17 1nex s ARG 405 Cb -0.11 -3.17 0.01 0.00 -0.45 0.00 0.00 34.95 31.23 1nex s ARG 405 CO -0.17 0.71 -0.21 0.08 -0.68 0.00 0.00 175.30 175.03 1nex s VAL 406 N -1.12 1.94 0.18 3.52 1.01 -0.41 -1.41 120.40 124.11 1nex s VAL 406 Ca 0.22 -0.92 0.09 0.00 0.00 0.00 0.00 61.98 61.37 1nex s VAL 406 Cb -0.14 -1.71 -0.04 0.00 0.00 0.00 0.00 36.38 34.49 1nex s VAL 406 CO 0.11 0.53 -0.19 -0.31 0.00 0.00 0.00 175.10 175.23 1nex s TYR 407 N 0.67 1.95 -0.43 5.22 1.51 0.02 -1.37 117.35 124.91 1nex s TYR 407 Ca -0.11 -0.44 -0.17 0.00 -1.01 0.00 0.00 57.07 55.34 1nex s TYR 407 Cb -0.16 -0.96 0.03 0.00 -0.11 0.00 0.00 41.96 40.76 1nex s TYR 407 CO 0.02 0.39 0.42 0.34 -1.11 0.00 0.00 175.55 175.62 1nex s ASP 408 N -2.76 6.18 0.23 2.29 2.15 -0.57 -0.78 116.67 123.40 1nex s ASP 408 Ca 0.18 -0.80 0.25 0.00 0.43 0.00 0.00 52.55 52.61 1nex s ASP 408 Cb -0.06 -2.21 0.91 0.00 -0.30 0.00 0.00 42.92 41.26 1nex s ASP 408 CO 0.08 -0.58 1.74 -1.54 -0.17 0.00 0.00 175.17 174.70 1nex n SER 409 N 5.52 0.70 -0.07 -0.34 3.41 -0.49 -1.18 113.62 121.17 1nex n SER 409 Ca -0.08 0.62 -0.06 0.00 -0.26 0.00 0.00 58.87 59.08 1nex n SER 409 Cb 0.47 -0.79 -0.04 0.00 -0.26 0.00 0.00 64.21 63.59 1nex n SER 409 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 1nex h ILE 410 N 0.00 0.39 -0.13 -1.33 2.04 -1.93 -3.33 117.51 113.22 1nex h ILE 410 Ca 0.00 -1.35 0.00 0.00 1.00 0.00 0.00 64.86 64.51 1nex h ILE 410 Cb 0.53 0.79 0.00 0.00 -0.74 0.00 0.00 36.82 37.40 1nex h ILE 410 CO 0.00 0.13 0.00 0.59 0.00 0.00 0.00 178.15 178.87 1nex n ASN 411 N -4.67 0.73 -3.88 1.72 4.13 -1.24 -4.92 115.26 107.13 1nex n ASN 411 Ca -0.07 -1.90 -0.29 0.00 1.68 0.00 0.00 54.58 54.00 1nex n ASN 411 Cb 0.23 -0.08 0.00 0.00 -1.54 0.00 0.00 39.78 38.39 1nex n ASN 411 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1nex n LYS 412 N -0.14 -2.39 -3.59 3.52 4.01 -0.33 -4.98 118.16 114.25 1nex n LYS 412 Ca 0.07 0.39 -0.17 0.00 -0.51 0.00 0.00 58.31 58.10 1nex n LYS 412 Cb 0.13 -4.24 -0.07 0.00 -0.51 0.00 0.00 35.03 30.34 1nex n LYS 412 CO 0.00 0.00 0.00 -1.59 -1.11 0.00 0.00 177.40 174.70 1nex s LYS 413 N -6.45 0.94 0.15 1.97 -2.85 -0.52 -4.98 119.74 108.00 1nex s LYS 413 Ca 0.19 0.13 -0.34 0.00 -1.00 0.00 0.00 55.97 54.95 1nex s LYS 413 Cb -0.07 0.44 -0.14 0.00 -2.06 0.00 0.00 37.83 35.99 1nex s LYS 413 CO 0.89 -0.28 1.54 0.34 0.10 0.00 0.00 175.35 177.93 1nex n PHE 414 N 1.04 2.17 0.00 1.78 7.35 -1.26 -1.51 117.46 127.03 1nex n PHE 414 Ca -0.20 0.32 0.00 0.00 -0.76 0.00 0.00 57.45 56.81 1nex n PHE 414 Cb 0.57 -2.51 0.00 0.00 0.35 0.00 0.00 39.48 37.88 1nex n PHE 414 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 1nex n LEU 415 N 3.26 0.26 -4.11 -2.13 4.77 -0.47 -4.86 117.00 113.71 1nex n LEU 415 Ca 0.17 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 56.03 1nex n LEU 415 Cb 0.28 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.29 1nex n LEU 415 CO 0.63 0.00 -0.02 -1.48 -1.33 0.00 0.00 177.39 175.19 1nex s LEU 416 N -2.71 0.87 -0.03 2.23 0.05 -1.12 -5.02 118.68 112.95 1nex s LEU 416 Ca 0.00 -1.26 0.07 0.00 0.05 0.00 0.00 54.13 52.99 1nex s LEU 416 Cb 0.00 1.07 -0.02 0.00 -2.05 0.00 0.00 46.19 45.19 1nex s LEU 416 CO 0.00 -1.04 -0.25 -1.58 -0.55 0.00 0.00 176.35 172.94 1nex s GLN 417 N -3.88 2.23 -0.24 1.48 0.74 -1.26 -1.29 119.66 117.43 1nex s GLN 417 Ca 0.32 -0.90 -0.07 0.00 0.05 0.00 0.00 55.36 54.75 1nex s GLN 417 Cb 0.03 -2.10 -0.03 0.00 1.10 0.00 0.00 33.01 32.01 1nex s GLN 417 CO 0.13 0.53 0.07 -0.51 -0.55 0.00 0.00 175.29 174.96 1nex s LEU 418 N -0.53 3.47 0.20 3.68 1.43 0.10 -4.98 118.68 122.05 1nex s LEU 418 Ca 0.07 -0.18 0.11 0.00 -1.03 0.00 0.00 54.13 53.11 1nex s LEU 418 Cb -0.11 -1.92 -0.04 0.00 0.03 0.00 0.00 46.19 44.14 1nex s LEU 418 CO 0.00 -0.01 -0.19 -0.94 0.23 0.00 0.00 176.35 175.44 1nex s SER 419 N 1.46 3.70 0.00 2.29 1.04 -1.26 -2.09 113.70 118.84 1nex s SER 419 Ca 0.06 -0.80 0.00 0.00 0.48 0.00 0.00 55.95 55.69 1nex s SER 419 Cb -0.15 -0.40 0.00 0.00 0.10 0.00 0.00 66.02 65.57 1nex s SER 419 CO 0.04 0.11 0.00 0.61 0.98 0.00 0.00 173.24 174.97 1nex n GLY 420 N 0.10 1.62 3.69 7.32 0.00 -1.26 -4.81 105.19 111.84 1nex n GLY 420 Ca -0.11 -0.09 -0.43 0.00 0.00 0.00 0.00 46.02 45.39 1nex n GLY 420 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1nex n HIS 421 N 0.00 2.21 1.18 1.61 8.25 -1.26 -4.88 115.22 122.33 1nex n HIS 421 Ca 0.00 0.55 0.12 0.00 -0.26 0.00 0.00 57.72 58.13 1nex n HIS 421 Cb 0.00 -2.41 0.29 0.00 1.12 0.00 0.00 29.99 28.99 1nex n HIS 421 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 1nex n ASP 422 N 0.99 1.17 -4.21 0.41 8.00 -1.26 -4.88 116.55 116.76 1nex n ASP 422 Ca 0.06 -0.96 -0.14 0.00 0.71 0.00 0.00 54.79 54.46 1nex n ASP 422 Cb 0.35 0.22 -0.10 0.00 -0.02 0.00 0.00 41.12 41.57 1nex n ASP 422 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1nex s GLY 423 N -2.54 0.93 0.34 0.44 0.00 -1.26 -4.84 107.32 100.38 1nex s GLY 423 Ca 0.22 -1.34 -0.28 0.00 0.00 0.00 0.00 44.72 43.31 1nex s GLY 423 CO 0.55 -1.44 1.35 0.61 0.00 0.00 0.00 173.10 174.17 1nex n GLY 424 N 0.14 0.75 3.76 0.20 0.00 -1.26 -4.44 105.19 104.34 1nex n GLY 424 Ca -0.13 0.33 -0.39 0.00 0.00 0.00 0.00 46.02 45.84 1nex n GLY 424 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nex s VAL 425 N -0.99 4.01 0.00 1.61 1.01 -0.70 -2.07 120.40 123.28 1nex s VAL 425 Ca 0.56 1.86 0.00 0.00 0.00 0.00 0.00 61.98 64.40 1nex s VAL 425 Cb -0.55 -4.12 0.00 0.00 0.00 0.00 0.00 36.38 31.71 1nex s VAL 425 CO 0.61 0.32 0.01 0.79 0.00 0.00 0.00 175.10 176.83 1nex n TRP 426 N 1.01 0.00 -3.63 5.22 7.02 -0.66 -4.10 117.44 122.31 1nex n TRP 426 Ca -0.00 0.00 -0.10 0.00 -1.02 0.00 0.00 57.50 56.38 1nex n TRP 426 Cb 0.48 0.00 -0.11 0.00 -2.42 0.00 0.00 31.31 29.26 1nex n TRP 426 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1nex s ALA 427 N -0.02 -0.95 -0.06 6.99 0.00 -1.02 -4.81 121.76 121.89 1nex s ALA 427 Ca 0.00 1.25 -0.02 0.00 0.00 0.00 0.00 51.96 53.18 1nex s ALA 427 Cb 0.00 -1.26 0.04 0.00 0.00 0.00 0.00 23.12 21.89 1nex s ALA 427 CO 0.00 -0.78 0.13 -0.48 0.00 0.00 0.00 175.76 174.63 1nex s LEU 428 N 2.54 0.73 -0.11 0.00 0.05 -1.26 0.16 118.68 120.79 1nex s LEU 428 Ca 0.01 0.27 0.01 0.00 0.05 0.00 0.00 54.13 54.47 1nex s LEU 428 Cb -0.12 0.30 0.02 0.00 -2.05 0.00 0.00 46.19 44.33 1nex s LEU 428 CO -0.12 -0.15 -0.14 -0.75 -0.55 0.00 0.00 176.35 174.64 1nex s LYS 429 N 1.22 2.07 0.22 1.48 2.47 0.54 -4.81 119.74 122.93 1nex s LYS 429 Ca -0.09 -0.50 -0.25 0.00 -1.56 0.00 0.00 55.97 53.57 1nex s LYS 429 Cb -0.12 -1.80 -0.09 0.00 -1.46 0.00 0.00 37.83 34.36 1nex s LYS 429 CO -0.06 -0.09 0.82 -0.47 0.16 0.00 0.00 175.35 175.72 1nex s TYR 430 N 1.06 3.81 -0.04 4.03 6.14 -1.26 -0.27 117.35 130.82 1nex s TYR 430 Ca -0.06 1.65 0.07 0.00 0.64 0.00 0.00 57.07 59.37 1nex s TYR 430 Cb -0.15 -2.79 -0.01 0.00 0.42 0.00 0.00 41.96 39.43 1nex s TYR 430 CO -0.02 0.40 -0.24 0.00 0.64 0.00 0.00 175.55 176.32 1nex s ALA 431 N -1.35 2.05 -0.00 3.97 0.00 0.29 -4.94 121.76 121.77 1nex s ALA 431 Ca 0.41 -1.03 -0.38 0.00 0.00 0.00 0.00 51.96 50.97 1nex s ALA 431 Cb -0.21 -0.58 -0.17 0.00 0.00 0.00 0.00 23.12 22.16 1nex s ALA 431 CO 0.25 0.45 1.36 1.58 0.00 0.00 0.00 175.76 179.41 1nex n HIS 432 N 2.71 1.46 0.00 0.00 -0.00 -1.26 -2.84 115.22 115.28 1nex n HIS 432 Ca -0.17 0.71 0.00 0.00 0.46 0.00 0.00 57.72 58.72 1nex n HIS 432 Cb 0.52 -2.31 0.00 0.00 -0.12 0.00 0.00 29.99 28.08 1nex n HIS 432 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1nex n GLY 433 N 2.65 1.37 1.83 1.57 0.00 -1.26 -4.56 105.19 106.79 1nex n GLY 433 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 1nex n GLY 433 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nex n GLY 434 N -0.23 0.54 3.79 -0.02 0.00 -1.21 -4.89 105.19 103.17 1nex n GLY 434 Ca 0.00 -0.03 -0.36 0.00 0.00 0.00 0.00 46.02 45.63 1nex n GLY 434 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1nex s ILE 435 N -2.00 5.39 0.00 -0.61 -1.09 -1.13 -0.15 121.20 121.61 1nex s ILE 435 Ca 0.00 0.33 -0.04 0.00 -2.23 0.00 0.00 60.65 58.71 1nex s ILE 435 Cb 0.00 -3.50 -0.00 0.00 -1.58 0.00 0.00 42.46 37.37 1nex s ILE 435 CO 0.00 0.51 0.08 -1.48 -1.23 0.00 0.00 174.94 172.82 1nex s LEU 436 N -0.25 1.78 0.02 2.97 0.05 -1.22 0.10 118.68 122.14 1nex s LEU 436 Ca 0.14 -0.22 0.05 0.00 0.05 0.00 0.00 54.13 54.14 1nex s LEU 436 Cb -0.12 0.44 -0.03 0.00 -2.05 0.00 0.00 46.19 44.42 1nex s LEU 436 CO 0.03 -0.29 -0.10 -0.69 -0.55 0.00 0.00 176.35 174.75 1nex s VAL 437 N -1.15 3.36 0.21 1.48 1.01 0.62 -1.47 120.40 124.47 1nex s VAL 437 Ca -0.12 -0.94 0.01 0.00 0.00 0.00 0.00 61.98 60.92 1nex s VAL 437 Cb -0.07 -2.46 -0.05 0.00 0.00 0.00 0.00 36.38 33.81 1nex s VAL 437 CO 0.01 0.35 0.07 -0.94 0.00 0.00 0.00 175.10 174.59 1nex s SER 438 N -1.49 0.96 -0.00 3.32 1.04 -0.04 -0.34 113.70 117.15 1nex s SER 438 Ca 0.17 -1.31 -0.12 0.00 0.48 0.00 0.00 55.95 55.16 1nex s SER 438 Cb -0.11 0.20 0.02 0.00 0.10 0.00 0.00 66.02 66.22 1nex s SER 438 CO 0.07 -0.70 0.25 -0.83 0.98 0.00 0.00 173.24 173.01 1nex s GLY 439 N -3.23 -0.08 0.17 7.32 0.00 0.12 -1.66 107.32 109.96 1nex s GLY 439 Ca 0.33 0.15 -0.02 0.00 0.00 0.00 0.00 44.72 45.19 1nex s GLY 439 CO 0.10 -0.03 0.25 -1.14 0.00 0.00 0.00 173.10 172.27 1nex n SER 440 N 1.28 -0.69 0.02 1.64 3.41 -1.19 -1.66 113.62 116.44 1nex n SER 440 Ca -0.22 -1.86 0.09 0.00 -0.26 0.00 0.00 58.87 56.62 1nex n SER 440 Cb 0.56 1.27 0.38 0.00 -0.26 0.00 0.00 64.21 66.15 1nex n SER 440 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1nex n THR 441 N -0.27 0.83 1.39 6.66 -2.24 -0.88 -1.68 114.28 118.10 1nex n THR 441 Ca -0.00 0.20 0.11 0.00 -2.27 0.00 0.00 64.05 62.09 1nex n THR 441 Cb 0.27 -0.94 0.65 0.00 -2.10 0.00 0.00 70.33 68.21 1nex n THR 441 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1nex n ASP 442 N -1.62 0.00 -0.29 3.42 2.03 -1.26 -4.56 116.55 114.27 1nex n ASP 442 Ca 0.04 -0.71 -0.04 0.00 0.52 0.00 0.00 54.79 54.60 1nex n ASP 442 Cb 0.21 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.59 1nex n ASP 442 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1nex n ARG 443 N -0.99 -1.60 -4.17 -0.67 1.74 -0.75 -4.87 116.66 105.34 1nex n ARG 443 Ca 0.16 0.57 -0.22 0.00 -0.77 0.00 0.00 57.85 57.59 1nex n ARG 443 Cb 0.08 -4.84 -0.06 0.00 -1.02 0.00 0.00 32.46 26.62 1nex n ARG 443 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1nex s THR 444 N -1.47 3.75 -0.25 0.55 -4.23 -1.26 -4.26 115.64 108.47 1nex s THR 444 Ca 0.00 -1.67 0.02 0.00 -1.18 0.00 0.00 61.69 58.87 1nex s THR 444 Cb 0.00 -3.08 0.06 0.00 1.34 0.00 0.00 72.50 70.81 1nex s THR 444 CO 0.00 -0.33 -0.11 -0.69 -0.54 0.00 0.00 174.62 172.96 1nex s VAL 445 N -2.27 2.04 0.01 2.29 1.01 -0.60 -3.14 120.40 119.75 1nex s VAL 445 Ca 0.33 -1.50 0.05 0.00 0.00 0.00 0.00 61.98 60.86 1nex s VAL 445 Cb -0.06 -2.15 -0.03 0.00 0.00 0.00 0.00 36.38 34.13 1nex s VAL 445 CO 0.23 0.01 -0.12 -0.13 0.00 0.00 0.00 175.10 175.08 1nex s ARG 446 N 1.17 2.34 -0.14 2.72 0.52 -0.67 -1.15 118.95 123.75 1nex s ARG 446 Ca -0.07 -0.83 -0.03 0.00 -0.52 0.00 0.00 55.73 54.28 1nex s ARG 446 Cb -0.19 -2.35 -0.03 0.00 0.52 0.00 0.00 34.95 32.90 1nex s ARG 446 CO -0.06 0.58 -0.05 0.08 0.02 0.00 0.00 175.30 175.87 1nex s VAL 447 N -0.94 3.77 0.51 3.52 1.01 -0.67 -0.86 120.40 126.74 1nex s VAL 447 Ca 0.15 -0.41 0.02 0.00 0.00 0.00 0.00 61.98 61.74 1nex s VAL 447 Cb -0.11 -2.63 -0.01 0.00 0.00 0.00 0.00 36.38 33.63 1nex s VAL 447 CO 0.06 0.51 0.02 0.26 0.00 0.00 0.00 175.10 175.95 1nex s TRP 448 N 0.17 1.88 -0.26 5.22 0.52 -0.54 -1.67 118.94 124.26 1nex s TRP 448 Ca -0.03 -0.94 -0.04 0.00 0.02 0.00 0.00 56.10 55.12 1nex s TRP 448 Cb -0.14 -1.63 0.10 0.00 -1.15 0.00 0.00 33.47 30.65 1nex s TRP 448 CO 0.03 0.21 0.15 0.34 0.02 0.00 0.00 176.95 177.70 1nex s ASP 449 N -3.89 2.91 0.19 2.95 2.15 -0.60 -3.37 116.67 117.00 1nex s ASP 449 Ca 0.08 -1.01 -0.12 0.00 0.43 0.00 0.00 52.55 51.93 1nex s ASP 449 Cb 0.02 -0.16 0.20 0.00 -0.30 0.00 0.00 42.92 42.68 1nex s ASP 449 CO 0.04 -0.41 1.74 0.40 -0.17 0.00 0.00 175.17 176.78 1nex h ILE 450 N 6.38 0.80 -0.25 4.11 2.04 -0.84 0.90 117.51 130.65 1nex h ILE 450 Ca -0.18 -0.12 0.04 0.00 1.00 0.00 0.00 64.86 65.59 1nex h ILE 450 Cb 1.06 0.41 -0.07 0.00 -0.74 0.00 0.00 36.82 37.48 1nex h ILE 450 CO 0.39 0.07 -0.50 0.11 0.00 0.00 0.00 178.15 178.22 1nex h LYS 451 N 0.36 -0.42 0.00 2.37 1.79 -1.91 -1.32 116.57 117.44 1nex h LYS 451 Ca 0.26 0.03 -0.05 0.00 -2.18 0.00 0.00 60.65 58.71 1nex h LYS 451 Cb 0.30 0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 31.03 1nex h LYS 451 CO -0.27 -0.28 -0.25 0.87 -1.08 0.00 0.00 179.45 178.44 1nex h LYS 452 N -0.44 0.00 -3.01 3.15 1.57 -1.86 -3.47 116.57 112.51 1nex h LYS 452 Ca 0.05 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.67 1nex h LYS 452 Cb 0.57 0.00 0.06 0.00 0.08 0.00 0.00 32.23 32.94 1nex h LYS 452 CO -0.47 0.25 -0.28 0.41 -0.57 0.00 0.00 179.45 178.79 1nex n GLY 453 N 0.40 0.33 3.72 3.86 0.00 0.31 -5.03 105.19 108.77 1nex n GLY 453 Ca 0.01 -0.30 -0.10 0.00 0.00 0.00 0.00 46.02 45.63 1nex n GLY 453 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nex h THR 456 N 5.72 0.00 -2.98 0.00 1.35 -1.48 -3.17 112.91 112.35 1nex h THR 456 Ca -0.27 -0.84 -0.14 0.00 -0.55 0.00 0.00 66.41 64.61 1nex h THR 456 Cb 1.11 1.53 -0.23 0.00 -1.73 0.00 0.00 68.15 68.83 1nex h THR 456 CO 0.80 0.00 -0.32 -1.00 -0.25 0.00 0.00 175.52 174.75 1nex s HIS 457 N -3.26 -0.30 -0.16 4.73 3.76 -1.04 -2.81 115.29 116.21 1nex s HIS 457 Ca 0.04 0.68 -0.02 0.00 -0.15 0.00 0.00 55.06 55.61 1nex s HIS 457 Cb 0.09 0.11 0.05 0.00 1.11 0.00 0.00 32.58 33.94 1nex s HIS 457 CO 0.73 -0.24 -0.01 0.08 -0.85 0.00 0.00 174.74 174.46 1nex s VAL 458 N -0.29 0.75 -0.27 -0.90 1.01 -0.73 -1.66 120.40 118.30 1nex s VAL 458 Ca -0.04 -0.48 -0.06 0.00 0.00 0.00 0.00 61.98 61.39 1nex s VAL 458 Cb -0.03 -1.06 -0.00 0.00 0.00 0.00 0.00 36.38 35.28 1nex s VAL 458 CO 0.02 0.00 0.06 -0.36 0.00 0.00 0.00 175.10 174.81 1nex s PHE 459 N 1.78 3.10 0.13 5.22 2.99 -0.30 -1.48 117.98 129.42 1nex s PHE 459 Ca 0.01 -0.85 0.03 0.00 0.00 0.00 0.00 56.93 56.11 1nex s PHE 459 Cb -0.16 -2.22 -0.04 0.00 0.00 0.00 0.00 43.02 40.60 1nex s PHE 459 CO -0.07 -0.52 0.20 -1.21 -0.00 0.00 0.00 175.22 173.61 1nex s GLU 460 N 1.52 3.18 0.00 0.44 2.02 -1.10 -1.55 118.70 123.21 1nex s GLU 460 Ca 0.04 -0.68 0.00 0.00 0.02 0.00 0.00 54.97 54.35 1nex s GLU 460 Cb -0.16 -2.83 0.00 0.00 0.10 0.00 0.00 34.13 31.23 1nex s GLU 460 CO 0.02 0.53 0.00 0.41 0.02 0.00 0.00 175.26 176.23 1nex n GLY 461 N -0.23 0.41 3.77 -1.39 0.00 -1.26 -4.38 105.19 102.11 1nex n GLY 461 Ca -0.07 0.06 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 1nex n GLY 461 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1nex s HIS 462 N 0.00 2.48 -2.07 1.61 3.76 -1.26 -4.88 115.29 114.92 1nex s HIS 462 Ca 0.00 1.26 0.19 0.00 -0.15 0.00 0.00 55.06 56.36 1nex s HIS 462 Cb 0.00 -3.92 0.53 0.00 1.11 0.00 0.00 32.58 30.30 1nex s HIS 462 CO 0.00 -2.91 1.44 0.09 -0.85 0.00 0.00 174.74 172.51 1nex n ASN 463 N -0.16 3.13 -2.34 1.40 5.03 -1.26 -4.90 115.26 116.15 1nex n ASN 463 Ca 0.05 -1.98 -0.08 0.00 0.87 0.00 0.00 54.58 53.44 1nex n ASN 463 Cb 0.42 -0.36 0.00 0.00 -1.02 0.00 0.00 39.78 38.82 1nex n ASN 463 CO 0.00 0.00 0.00 -0.24 -1.83 0.00 0.00 177.26 175.19 1nex n SER 464 N 1.22 -1.38 -4.70 6.41 2.88 -1.26 -4.93 113.62 111.86 1nex n SER 464 Ca 0.20 -2.23 -0.43 0.00 -1.33 0.00 0.00 58.87 55.07 1nex n SER 464 Cb 0.50 2.38 -0.01 0.00 -0.75 0.00 0.00 64.21 66.33 1nex n SER 464 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 1nex n THR 465 N -0.40 1.49 -2.79 2.46 -1.04 -1.26 -4.39 114.28 108.35 1nex n THR 465 Ca -0.04 -0.37 -0.42 0.00 -2.04 0.00 0.00 64.05 61.18 1nex n THR 465 Cb 0.42 -1.59 -0.03 0.00 -1.82 0.00 0.00 70.33 67.31 1nex n THR 465 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1nex s VAL 466 N -0.57 4.65 -0.14 12.58 1.01 -0.68 -1.50 120.40 135.75 1nex s VAL 466 Ca 0.61 1.47 0.05 0.00 0.00 0.00 0.00 61.98 64.11 1nex s VAL 466 Cb -0.59 -4.29 -0.23 0.00 0.00 0.00 0.00 36.38 31.27 1nex s VAL 466 CO 0.56 -0.37 0.29 -1.14 0.00 0.00 0.00 175.10 174.44 1nex n ARG 467 N 6.54 0.69 -3.80 2.72 3.00 0.15 -4.10 116.66 121.86 1nex n ARG 467 Ca 0.08 0.21 -0.10 0.00 -0.00 0.00 0.00 57.85 58.04 1nex n ARG 467 Cb 0.48 -1.67 -0.06 0.00 0.00 0.00 0.00 32.46 31.21 1nex n ARG 467 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1nex s LEU 469 N -2.87 -0.22 0.13 0.00 0.05 -1.26 0.28 118.68 114.79 1nex s LEU 469 Ca 0.08 0.07 -0.10 0.00 0.05 0.00 0.00 54.13 54.22 1nex s LEU 469 Cb 0.03 2.28 0.00 0.00 -2.05 0.00 0.00 46.19 46.45 1nex s LEU 469 CO -0.08 -0.82 0.27 -0.62 -0.55 0.00 0.00 176.35 174.55 1nex s ASP 470 N -2.33 0.01 -0.15 1.48 2.15 0.45 -4.88 116.67 113.40 1nex s ASP 470 Ca -0.02 -0.66 -0.01 0.00 0.43 0.00 0.00 52.55 52.29 1nex s ASP 470 Cb -0.00 0.41 0.04 0.00 -0.30 0.00 0.00 42.92 43.06 1nex s ASP 470 CO -0.07 -0.82 -0.04 -0.63 -0.17 0.00 0.00 175.17 173.45 1nex s ILE 471 N -3.89 0.91 0.46 4.11 1.01 -1.26 -0.48 121.20 122.06 1nex s ILE 471 Ca 0.09 -0.45 0.07 0.00 0.00 0.00 0.00 60.65 60.35 1nex s ILE 471 Cb 0.04 -1.10 -0.01 0.00 0.01 0.00 0.00 42.46 41.39 1nex s ILE 471 CO -0.07 0.14 0.33 0.68 0.00 0.00 0.00 174.94 176.02 1nex s VAL 472 N 1.73 2.20 -0.04 2.92 -7.23 -0.39 -4.93 120.40 114.65 1nex s VAL 472 Ca 0.02 -1.50 -0.02 0.00 -1.81 0.00 0.00 61.98 58.67 1nex s VAL 472 Cb -0.15 -2.70 0.03 0.00 0.56 0.00 0.00 36.38 34.13 1nex s VAL 472 CO -0.07 0.00 0.07 -0.70 -0.31 0.00 0.00 175.10 174.09 1nex s GLU 473 N -4.12 -0.05 -0.05 4.82 2.12 -1.26 -0.71 118.70 119.46 1nex s GLU 473 Ca 0.41 0.37 0.01 0.00 0.36 0.00 0.00 54.97 56.11 1nex s GLU 473 Cb -0.01 -0.41 0.02 0.00 0.26 0.00 0.00 34.13 34.00 1nex s GLU 473 CO 0.24 -0.29 -0.04 -0.47 -0.54 0.00 0.00 175.26 174.16 1nex s TYR 474 N 1.91 0.78 -1.40 5.30 5.04 -0.34 -3.91 117.35 124.73 1nex s TYR 474 Ca 0.01 -0.23 -0.03 0.00 -2.44 0.00 0.00 57.07 54.38 1nex s TYR 474 Cb -0.12 -0.70 0.02 0.00 0.35 0.00 0.00 41.96 41.51 1nex s TYR 474 CO -0.04 -0.21 0.65 1.63 -1.34 0.00 0.00 175.55 176.25 1nex n LYS 475 N 4.13 -4.36 -1.27 4.97 5.02 -1.26 -1.54 118.16 123.85 1nex n LYS 475 Ca -0.23 0.53 -0.09 0.00 -2.02 0.00 0.00 58.31 56.49 1nex n LYS 475 Cb 0.51 -5.00 -0.04 0.00 -0.02 0.00 0.00 35.03 30.47 1nex n LYS 475 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1nex n ASN 476 N -2.98 -5.39 -4.30 4.39 4.13 -1.26 -4.98 115.26 104.87 1nex n ASN 476 Ca -0.23 0.23 -0.33 0.00 1.68 0.00 0.00 54.58 55.94 1nex n ASN 476 Cb 0.65 -3.72 -0.15 0.00 -1.54 0.00 0.00 39.78 35.01 1nex n ASN 476 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1nex s ILE 477 N -1.93 2.69 -0.17 2.41 1.01 -0.59 -5.11 121.20 119.51 1nex s ILE 477 Ca 0.00 -0.78 -0.15 0.00 0.00 0.00 0.00 60.65 59.72 1nex s ILE 477 Cb 0.00 -2.11 -0.04 0.00 0.01 0.00 0.00 42.46 40.31 1nex s ILE 477 CO 0.00 0.53 0.34 -0.54 0.00 0.00 0.00 174.94 175.27 1nex s LYS 478 N 0.51 4.23 0.11 2.79 1.02 -1.26 -1.20 119.74 125.94 1nex s LYS 478 Ca -0.11 0.14 0.09 0.00 0.02 0.00 0.00 55.97 56.11 1nex s LYS 478 Cb -0.16 -3.47 -0.04 0.00 -0.52 0.00 0.00 37.83 33.64 1nex s LYS 478 CO 0.04 0.13 -0.18 0.71 -0.92 0.00 0.00 175.35 175.13 1nex s TYR 479 N 0.78 2.53 -0.16 3.18 2.02 0.11 -0.70 117.35 125.12 1nex s TYR 479 Ca 0.18 -0.26 -0.04 0.00 -0.37 0.00 0.00 57.07 56.57 1nex s TYR 479 Cb -0.14 -1.36 -0.03 0.00 -0.40 0.00 0.00 41.96 40.04 1nex s TYR 479 CO 0.06 0.37 -0.03 0.42 -1.57 0.00 0.00 175.55 174.79 1nex s ILE 480 N -1.11 3.92 -0.19 2.71 1.01 0.33 -1.26 121.20 126.61 1nex s ILE 480 Ca 0.17 -0.35 0.01 0.00 0.00 0.00 0.00 60.65 60.49 1nex s ILE 480 Cb -0.11 -2.72 0.03 0.00 0.01 0.00 0.00 42.46 39.67 1nex s ILE 480 CO 0.09 0.49 -0.18 -0.69 0.00 0.00 0.00 174.94 174.65 1nex s VAL 481 N 0.36 2.07 -0.12 2.92 1.01 0.37 -0.57 120.40 126.44 1nex s VAL 481 Ca -0.04 -1.06 0.01 0.00 0.00 0.00 0.00 61.98 60.89 1nex s VAL 481 Cb -0.14 -1.93 -0.01 0.00 0.00 0.00 0.00 36.38 34.30 1nex s VAL 481 CO 0.03 0.44 -0.16 0.42 0.00 0.00 0.00 175.10 175.82 1nex s THR 482 N 1.26 2.76 -0.01 3.92 -4.23 -0.47 -0.41 115.64 118.45 1nex s THR 482 Ca 0.03 -0.77 -0.02 0.00 -1.18 0.00 0.00 61.69 59.75 1nex s THR 482 Cb -0.14 -2.13 -0.04 0.00 1.34 0.00 0.00 72.50 71.53 1nex s THR 482 CO -0.12 0.54 0.12 -0.83 -0.54 0.00 0.00 174.62 173.79 1nex s GLY 483 N 0.34 2.08 0.25 3.99 0.00 0.14 -0.87 107.32 113.24 1nex s GLY 483 Ca -0.13 -0.82 0.02 0.00 0.00 0.00 0.00 44.72 43.79 1nex s GLY 483 CO 0.07 -0.69 0.06 -0.45 0.00 0.00 0.00 173.10 172.08 1nex s SER 484 N -1.75 1.49 0.00 1.64 0.15 -0.40 -0.68 113.70 114.15 1nex s SER 484 Ca 0.24 -1.31 0.23 0.00 0.70 0.00 0.00 55.95 55.80 1nex s SER 484 Cb -0.12 0.09 1.04 0.00 -1.71 0.00 0.00 66.02 65.31 1nex s SER 484 CO 0.15 -0.64 1.74 0.54 1.20 0.00 0.00 173.24 176.23 1nex n ARG 485 N -0.45 0.09 -0.01 5.44 5.12 -0.56 -1.10 116.66 125.19 1nex n ARG 485 Ca -0.02 0.09 0.02 0.00 -1.93 0.00 0.00 57.85 56.02 1nex n ARG 485 Cb 0.65 -1.50 0.13 0.00 -1.16 0.00 0.00 32.46 30.59 1nex n ARG 485 CO 0.00 0.00 0.00 -0.40 -1.93 0.00 0.00 177.63 175.30 1nex n ASP 486 N -1.44 0.14 0.00 0.55 5.68 -1.26 -4.20 116.55 116.01 1nex n ASP 486 Ca 0.07 -1.87 0.00 0.00 -0.50 0.00 0.00 54.79 52.49 1nex n ASP 486 Cb 0.24 -0.02 0.00 0.00 -1.14 0.00 0.00 41.12 40.21 1nex n ASP 486 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1nex n ASN 487 N -0.49 0.00 -4.47 -1.12 5.03 -1.17 -5.00 115.26 108.05 1nex n ASN 487 Ca 0.04 0.00 -0.26 0.00 0.87 0.00 0.00 54.58 55.23 1nex n ASN 487 Cb 0.04 0.00 -0.10 0.00 -1.02 0.00 0.00 39.78 38.70 1nex n ASN 487 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 1nex s THR 488 N -3.81 1.22 -0.16 3.41 -4.23 -1.26 -3.81 115.64 107.00 1nex s THR 488 Ca 0.00 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 58.50 1nex s THR 488 Cb 0.00 -2.62 0.04 0.00 1.34 0.00 0.00 72.50 71.26 1nex s THR 488 CO 0.00 0.00 -0.05 -0.76 -0.54 0.00 0.00 174.62 173.27 1nex s LEU 489 N -3.63 1.59 0.04 4.79 1.02 -1.15 -1.27 118.68 120.06 1nex s LEU 489 Ca 0.28 -0.64 -0.15 0.00 0.02 0.00 0.00 54.13 53.63 1nex s LEU 489 Cb 0.06 -0.91 -0.06 0.00 0.02 0.00 0.00 46.19 45.31 1nex s LEU 489 CO 0.14 -0.18 0.45 -1.00 0.02 0.00 0.00 176.35 175.78 1nex s HIS 490 N 1.64 3.71 -0.11 0.29 3.76 -0.05 -0.03 115.29 124.50 1nex s HIS 490 Ca 0.01 1.03 0.00 0.00 -0.15 0.00 0.00 55.06 55.95 1nex s HIS 490 Cb -0.15 -2.32 -0.02 0.00 1.11 0.00 0.00 32.58 31.20 1nex s HIS 490 CO -0.08 0.59 -0.11 0.08 -0.85 0.00 0.00 174.74 174.38 1nex s VAL 491 N -1.17 3.25 0.13 -0.90 1.01 -0.31 -1.37 120.40 121.04 1nex s VAL 491 Ca 0.27 -0.61 0.04 0.00 0.00 0.00 0.00 61.98 61.69 1nex s VAL 491 Cb -0.17 -2.36 -0.04 0.00 0.00 0.00 0.00 36.38 33.82 1nex s VAL 491 CO 0.16 0.54 -0.10 0.26 0.00 0.00 0.00 175.10 175.95 1nex s TRP 492 N 0.02 1.20 -0.20 5.22 0.52 0.27 -1.18 118.94 124.79 1nex s TRP 492 Ca -0.03 -0.71 -0.10 0.00 0.02 0.00 0.00 56.10 55.28 1nex s TRP 492 Cb -0.14 -0.63 -0.05 0.00 -1.15 0.00 0.00 33.47 31.50 1nex s TRP 492 CO 0.04 0.06 0.12 -1.59 0.02 0.00 0.00 176.95 175.60 1nex s LYS 493 N -3.33 4.15 -0.05 4.98 -2.85 0.14 0.12 119.74 122.90 1nex s LYS 493 Ca 0.12 -0.23 -0.30 0.00 -1.00 0.00 0.00 55.97 54.56 1nex s LYS 493 Cb 0.00 -3.39 -0.07 0.00 -2.06 0.00 0.00 37.83 32.32 1nex s LYS 493 CO 0.00 0.30 1.86 -1.17 0.10 0.00 0.00 175.35 176.44 1nex s LEU 494 N 0.34 4.21 0.55 2.77 2.96 0.13 -4.83 118.68 124.81 1nex s LEU 494 Ca 0.07 2.31 -0.19 0.00 -0.22 0.00 0.00 54.13 56.10 1nex s LEU 494 Cb -0.11 -3.53 -0.09 0.00 0.50 0.00 0.00 46.19 42.96 1nex s LEU 494 CO -0.02 -1.15 0.61 -2.65 -1.32 0.00 0.00 176.35 171.83 1nex n PRO 495 N 7.58 0.62 -0.09 0.98 -0.02 -1.26 -4.81 135.00 138.00 1nex n PRO 495 Ca 0.20 0.24 -0.06 0.00 -2.02 0.00 0.00 63.50 61.86 1nex n PRO 495 Cb 0.43 -1.76 -0.00 0.00 -0.02 0.00 0.00 33.50 32.15 1nex n PRO 495 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1nex h LYS 496 N 0.42 -0.01 0.00 -0.52 1.79 -2.00 -3.52 116.57 112.74 1nex h LYS 496 Ca -0.45 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.02 1nex h LYS 496 Cb 1.39 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.04 1nex h LYS 496 CO 0.49 -0.00 0.00 -0.40 -1.08 0.00 0.00 179.45 178.45 1nex n ASP 508 N -5.27 0.00 -0.44 0.86 5.75 -1.26 -5.23 116.55 110.95 1nex n ASP 508 Ca 0.01 0.00 0.38 0.00 -0.01 0.00 0.00 54.79 55.17 1nex n ASP 508 Cb 0.19 0.00 0.71 0.00 -1.03 0.00 0.00 41.12 40.99 1nex n ASP 508 CO 0.00 0.00 0.00 1.88 -0.11 0.00 0.00 177.20 178.97 1nex h TYR 509 N 0.00 0.21 -0.43 2.11 0.99 -1.91 -3.32 116.97 114.63 1nex h TYR 509 Ca 0.00 0.01 -0.23 0.00 2.00 0.00 0.00 58.73 60.50 1nex h TYR 509 Cb 0.00 -0.06 -0.03 0.00 1.00 0.00 0.00 36.73 37.64 1nex h TYR 509 CO 0.00 -0.04 0.72 -2.14 -0.00 0.00 0.00 178.16 176.70 1nex s PRO 510 N -5.09 2.15 -0.62 4.88 0.02 -1.20 -4.11 135.00 131.04 1nex s PRO 510 Ca -0.06 -0.74 -0.23 0.00 0.02 0.00 0.00 61.00 59.99 1nex s PRO 510 Cb 0.26 -5.12 0.06 0.00 0.02 0.00 0.00 34.50 29.71 1nex s PRO 510 CO 0.83 -4.25 0.97 -0.51 -0.33 0.00 0.00 177.00 173.71 1nex s LEU 511 N 12.45 4.21 -0.07 -5.54 1.43 -1.12 -4.95 118.68 125.08 1nex s LEU 511 Ca 0.73 -0.71 -0.16 0.00 -1.03 0.00 0.00 54.13 52.96 1nex s LEU 511 Cb -0.04 -2.58 -0.05 0.00 0.03 0.00 0.00 46.19 43.55 1nex s LEU 511 CO 0.11 -1.37 0.43 -0.69 0.23 0.00 0.00 176.35 175.06 1nex s VAL 512 N 4.09 5.12 -0.47 -1.59 1.01 -1.26 -1.77 120.40 125.53 1nex s VAL 512 Ca 0.26 0.86 0.04 0.00 0.00 0.00 0.00 61.98 63.14 1nex s VAL 512 Cb -0.15 -3.75 0.12 0.00 0.00 0.00 0.00 36.38 32.60 1nex s VAL 512 CO 0.14 0.44 0.21 -0.36 0.00 0.00 0.00 175.10 175.53 1nex s PHE 513 N -0.14 3.20 0.36 5.22 0.40 -0.55 -4.95 117.98 121.52 1nex s PHE 513 Ca 0.24 -3.07 0.20 0.00 -0.60 0.00 0.00 56.93 53.70 1nex s PHE 513 Cb -0.16 -2.76 1.06 0.00 0.51 0.00 0.00 43.02 41.67 1nex s PHE 513 CO 0.11 -0.79 1.94 0.45 0.70 0.00 0.00 175.22 177.63 1nex h HIS 514 N 6.77 0.00 -3.28 0.36 3.86 -1.90 -2.90 115.15 118.07 1nex h HIS 514 Ca -0.07 0.00 -0.67 0.00 -1.16 0.00 0.00 60.37 58.47 1nex h HIS 514 Cb 0.92 0.00 -0.33 0.00 1.06 0.00 0.00 27.41 29.07 1nex h HIS 514 CO 0.50 0.23 -0.86 0.99 0.86 0.00 0.00 177.93 179.66 1nex s THR 515 N -4.15 2.20 0.28 2.45 2.01 -1.26 -4.73 115.64 112.43 1nex s THR 515 Ca -0.02 -0.95 -0.02 0.00 0.31 0.00 0.00 61.69 61.00 1nex s THR 515 Cb 0.13 -1.87 0.18 0.00 0.01 0.00 0.00 72.50 70.96 1nex s THR 515 CO 0.65 0.55 1.86 -0.65 -0.69 0.00 0.00 174.62 176.34 1nex h PRO 516 N 7.03 0.95 -0.21 4.92 0.11 -1.82 -1.62 132.00 141.35 1nex h PRO 516 Ca -0.26 -0.15 -0.04 0.00 0.11 0.00 0.00 66.00 65.66 1nex h PRO 516 Cb 1.21 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 1nex h PRO 516 CO 0.52 0.77 -0.04 0.93 -0.21 0.00 0.00 178.00 179.97 1nex h GLU 517 N 0.93 0.32 0.00 1.05 4.39 -1.96 -2.47 114.58 116.84 1nex h GLU 517 Ca 0.22 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.86 1nex h GLU 517 Cb 0.18 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.77 1nex h GLU 517 CO -0.02 0.38 -0.82 0.39 -1.16 0.00 0.00 179.01 177.78 1nex n GLU 518 N -4.32 0.12 -2.41 2.33 1.02 -1.03 -4.84 120.64 111.50 1nex n GLU 518 Ca 0.00 -0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.71 1nex n GLU 518 Cb 0.22 -1.54 -0.02 0.00 -0.02 0.00 0.00 31.44 30.08 1nex n GLU 518 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 1nex s ASN 519 N -3.38 6.79 0.44 1.62 3.04 -0.64 -4.90 114.94 117.91 1nex s ASN 519 Ca 0.07 1.45 0.16 0.00 0.04 0.00 0.00 52.86 54.58 1nex s ASN 519 Cb 0.16 -2.54 1.01 0.00 -1.54 0.00 0.00 41.25 38.34 1nex s ASN 519 CO 0.78 -0.94 1.96 -0.65 -3.04 0.00 0.00 177.10 175.21 1nex h PRO 520 N 8.85 0.00 0.00 0.43 0.11 -1.88 -3.00 132.00 136.51 1nex h PRO 520 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1nex h PRO 520 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1nex h PRO 520 CO 1.00 0.22 -0.06 1.88 -0.21 0.00 0.00 178.00 180.84 1nex h TYR 521 N 0.00 0.00 -4.13 0.65 0.05 -1.90 -3.47 116.97 108.17 1nex h TYR 521 Ca -0.00 0.00 -0.51 0.00 0.05 0.00 0.00 58.73 58.27 1nex h TYR 521 Cb 0.42 0.00 0.09 0.00 1.01 0.00 0.00 36.73 38.25 1nex h TYR 521 CO 0.00 0.00 0.41 0.12 -1.05 0.00 0.00 178.16 177.64 1nex s PHE 522 N -3.16 2.62 0.00 4.88 5.36 -1.13 0.26 117.98 126.80 1nex s PHE 522 Ca 0.08 1.55 0.00 0.00 -0.96 0.00 0.00 56.93 57.60 1nex s PHE 522 Cb 0.09 -3.26 0.00 0.00 -0.34 0.00 0.00 43.02 39.50 1nex s PHE 522 CO 0.64 -1.68 0.00 0.28 -1.46 0.00 0.00 175.22 173.00 1nex n VAL 523 N -1.75 0.00 0.00 3.12 0.31 -0.33 -4.82 118.33 114.86 1nex n VAL 523 Ca 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.44 1nex n VAL 523 Cb 0.51 -0.54 0.00 0.00 -0.91 0.00 0.00 33.84 32.90 1nex n VAL 523 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1nex n GLY 524 N 2.74 2.42 3.61 2.92 0.00 -1.21 -5.00 105.19 110.67 1nex n GLY 524 Ca 0.00 -1.19 -0.34 0.00 0.00 0.00 0.00 46.02 44.49 1nex n GLY 524 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1nex s VAL 525 N -2.00 4.23 -0.68 1.61 -7.23 -1.26 -1.16 120.40 113.91 1nex s VAL 525 Ca 0.00 -0.26 -0.19 0.00 -1.81 0.00 0.00 61.98 59.72 1nex s VAL 525 Cb 0.00 -2.82 0.11 0.00 0.56 0.00 0.00 36.38 34.23 1nex s VAL 525 CO 0.00 0.55 0.84 -0.76 -0.31 0.00 0.00 175.10 175.42 1nex s LEU 526 N -0.30 5.17 -0.12 1.32 1.02 0.96 -4.94 118.68 121.79 1nex s LEU 526 Ca 0.06 -1.49 -0.16 0.00 0.02 0.00 0.00 54.13 52.56 1nex s LEU 526 Cb -0.12 -2.34 -0.05 0.00 0.02 0.00 0.00 46.19 43.70 1nex s LEU 526 CO 0.02 -1.16 0.38 -0.13 0.02 0.00 0.00 176.35 175.48 1nex s ARG 527 N 2.88 4.22 0.00 1.70 0.52 -1.26 -2.95 118.95 124.06 1nex s ARG 527 Ca 0.18 0.28 0.00 0.00 -0.52 0.00 0.00 55.73 55.67 1nex s ARG 527 Cb -0.19 -3.40 0.00 0.00 0.52 0.00 0.00 34.95 31.89 1nex s ARG 527 CO 0.04 0.28 0.00 0.41 0.02 0.00 0.00 175.30 176.05 1nex n GLY 528 N 3.08 0.02 0.00 -3.53 0.00 -1.26 -4.98 105.19 98.52 1nex n GLY 528 Ca -0.10 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1nex n GLY 528 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1nex n HIS 529 N -0.39 0.00 0.00 1.61 8.25 -1.25 -5.14 115.22 118.30 1nex n HIS 529 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1nex n HIS 529 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1nex n HIS 529 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1nex n ALA 531 N -3.00 0.00 -1.60 -1.41 0.00 -1.26 -4.79 120.51 108.45 1nex n ALA 531 Ca 0.00 0.00 -0.51 0.00 0.00 0.00 0.00 53.44 52.93 1nex n ALA 531 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 1nex n ALA 531 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1nex n SER 532 N 0.00 1.76 -4.52 0.00 2.88 -1.26 -4.14 113.62 108.34 1nex n SER 532 Ca 0.00 1.12 -0.43 0.00 -1.33 0.00 0.00 58.87 58.23 1nex n SER 532 Cb 0.00 -1.22 -0.04 0.00 -0.75 0.00 0.00 64.21 62.20 1nex n SER 532 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1nex s VAL 533 N 0.42 4.28 0.05 2.46 1.01 -0.26 -0.69 120.40 127.67 1nex s VAL 533 Ca 0.82 0.24 -0.00 0.00 0.00 0.00 0.00 61.98 63.04 1nex s VAL 533 Cb -0.91 -4.62 -0.26 0.00 0.00 0.00 0.00 36.38 30.59 1nex s VAL 533 CO 0.47 -1.27 1.04 -0.09 0.00 0.00 0.00 175.10 175.25 1nex h ARG 534 N 9.45 0.18 -3.95 2.72 9.65 -1.25 -3.35 114.38 127.83 1nex h ARG 534 Ca -0.27 -0.31 -0.15 0.00 -1.10 0.00 0.00 59.98 58.15 1nex h ARG 534 Cb 1.07 0.12 -0.19 0.00 -1.39 0.00 0.00 29.97 29.58 1nex h ARG 534 CO 1.13 1.08 -0.64 -0.08 2.80 0.00 0.00 179.97 184.27 1nex s THR 535 N -2.65 0.14 -0.06 0.20 -1.32 -0.95 -4.58 115.64 106.42 1nex s THR 535 Ca -0.05 -1.12 -0.05 0.00 -1.21 0.00 0.00 61.69 59.27 1nex s THR 535 Cb 0.08 -0.68 0.02 0.00 -1.51 0.00 0.00 72.50 70.41 1nex s THR 535 CO 0.85 -0.62 0.16 -0.69 -2.21 0.00 0.00 174.62 172.11 1nex s VAL 536 N -2.23 -0.02 -0.14 5.08 1.01 -1.26 -1.71 120.40 121.13 1nex s VAL 536 Ca -0.09 0.06 -0.04 0.00 0.00 0.00 0.00 61.98 61.91 1nex s VAL 536 Cb -0.04 -0.24 0.07 0.00 0.00 0.00 0.00 36.38 36.17 1nex s VAL 536 CO -0.03 0.02 0.22 -0.55 0.00 0.00 0.00 175.10 174.76 1nex s SER 537 N 0.46 0.79 0.07 3.32 0.15 -0.62 -4.81 113.70 113.06 1nex s SER 537 Ca -0.03 0.26 0.01 0.00 0.70 0.00 0.00 55.95 56.89 1nex s SER 537 Cb -0.05 0.48 -0.04 0.00 -1.71 0.00 0.00 66.02 64.71 1nex s SER 537 CO -0.02 -0.27 -0.06 -0.83 1.20 0.00 0.00 173.24 173.26 1nex s GLY 538 N 2.36 0.63 -0.25 9.45 0.00 -1.26 -0.39 107.32 117.85 1nex s GLY 538 Ca 0.04 -1.19 -0.09 0.00 0.00 0.00 0.00 44.72 43.47 1nex s GLY 538 CO -0.09 -1.29 0.54 -1.58 0.00 0.00 0.00 173.10 170.68 1nex s HIS 539 N -3.26 -1.05 0.00 1.90 2.46 0.44 -4.81 115.29 110.97 1nex s HIS 539 Ca 0.06 1.92 0.00 0.00 0.47 0.00 0.00 55.06 57.51 1nex s HIS 539 Cb 0.03 0.55 0.00 0.00 -0.13 0.00 0.00 32.58 33.03 1nex s HIS 539 CO -0.05 -0.56 0.00 0.41 -2.47 0.00 0.00 174.74 172.07 1nex n GLY 540 N 5.23 0.93 0.39 1.59 0.00 -1.25 -2.82 105.19 109.25 1nex n GLY 540 Ca -0.12 -0.80 0.11 0.00 0.00 0.00 0.00 46.02 45.21 1nex n GLY 540 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1nex n ASN 541 N 3.46 1.18 -4.63 1.61 6.94 -1.26 -4.31 115.26 118.25 1nex n ASN 541 Ca 0.00 -1.55 -0.34 0.00 -0.02 0.00 0.00 54.58 52.66 1nex n ASN 541 Cb 0.00 -0.05 -0.10 0.00 -2.36 0.00 0.00 39.78 37.27 1nex n ASN 541 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 1nex s ILE 542 N -1.89 4.70 0.01 1.53 -1.09 -1.13 -0.50 121.20 122.83 1nex s ILE 542 Ca 0.34 -0.07 0.03 0.00 -2.23 0.00 0.00 60.65 58.72 1nex s ILE 542 Cb 0.18 -3.11 -0.01 0.00 -1.58 0.00 0.00 42.46 37.94 1nex s ILE 542 CO 0.28 0.47 -0.08 -0.69 -1.23 0.00 0.00 174.94 173.69 1nex s VAL 543 N 0.29 0.65 -0.07 2.92 1.01 -0.73 -0.42 120.40 124.05 1nex s VAL 543 Ca 0.03 -0.50 0.04 0.00 0.00 0.00 0.00 61.98 61.54 1nex s VAL 543 Cb -0.12 -0.58 0.00 0.00 0.00 0.00 0.00 36.38 35.68 1nex s VAL 543 CO 0.00 0.08 -0.18 -0.69 0.00 0.00 0.00 175.10 174.31 1nex s VAL 544 N -0.41 1.58 0.04 2.92 1.01 0.47 -0.26 120.40 125.75 1nex s VAL 544 Ca 0.01 -0.76 0.07 0.00 0.00 0.00 0.00 61.98 61.30 1nex s VAL 544 Cb -0.04 -1.38 -0.03 0.00 0.00 0.00 0.00 36.38 34.92 1nex s VAL 544 CO -0.00 0.45 -0.16 -0.94 0.00 0.00 0.00 175.10 174.45 1nex s SER 545 N 0.33 3.97 -0.15 3.32 1.04 -0.46 -1.59 113.70 120.16 1nex s SER 545 Ca -0.12 -0.39 -0.00 0.00 0.48 0.00 0.00 55.95 55.92 1nex s SER 545 Cb -0.15 -0.70 -0.00 0.00 0.10 0.00 0.00 66.02 65.27 1nex s SER 545 CO 0.05 0.25 -0.14 -0.83 0.98 0.00 0.00 173.24 173.55 1nex s GLY 546 N -1.52 1.49 0.40 7.32 0.00 -0.69 -1.60 107.32 112.72 1nex s GLY 546 Ca 0.16 -1.03 0.07 0.00 0.00 0.00 0.00 44.72 43.92 1nex s GLY 546 CO 0.06 0.01 0.04 -0.45 0.00 0.00 0.00 173.10 172.76 1nex s SER 547 N 0.77 4.00 0.00 1.64 0.15 -0.42 -0.76 113.70 119.08 1nex s SER 547 Ca -0.06 -1.27 0.23 0.00 0.70 0.00 0.00 55.95 55.55 1nex s SER 547 Cb -0.15 -0.42 1.29 0.00 -1.71 0.00 0.00 66.02 65.02 1nex s SER 547 CO 0.01 -0.43 1.84 -1.22 1.20 0.00 0.00 173.24 174.63 1nex n TYR 548 N -1.01 0.02 1.02 3.44 4.02 0.13 -2.17 117.16 122.61 1nex n TYR 548 Ca -0.04 -0.01 0.05 0.00 -0.01 0.00 0.00 57.90 57.89 1nex n TYR 548 Cb 0.66 0.00 0.14 0.00 -0.02 0.00 0.00 39.34 40.12 1nex n TYR 548 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 1nex n ASP 549 N -0.73 1.65 -0.13 7.72 5.68 -1.26 -4.50 116.55 124.99 1nex n ASP 549 Ca 0.17 -2.00 -0.02 0.00 -0.50 0.00 0.00 54.79 52.44 1nex n ASP 549 Cb 0.11 -0.21 -0.01 0.00 -1.14 0.00 0.00 41.12 39.87 1nex n ASP 549 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1nex n ASN 550 N 0.40 -3.57 -4.47 -1.12 4.13 -1.13 -4.96 115.26 104.54 1nex n ASN 550 Ca 0.10 0.04 -0.23 0.00 1.68 0.00 0.00 54.58 56.18 1nex n ASN 550 Cb 0.26 -1.22 -0.10 0.00 -1.54 0.00 0.00 39.78 37.18 1nex n ASN 550 CO 0.00 0.00 0.00 0.28 0.28 0.00 0.00 177.26 177.82 1nex s THR 551 N -1.94 1.74 0.02 3.41 -1.32 -1.25 -4.34 115.64 111.97 1nex s THR 551 Ca 0.00 -2.12 0.05 0.00 -1.21 0.00 0.00 61.69 58.41 1nex s THR 551 Cb 0.00 -2.56 -0.02 0.00 -1.51 0.00 0.00 72.50 68.41 1nex s THR 551 CO 0.00 -0.23 -0.14 -0.76 -2.21 0.00 0.00 174.62 171.28 1nex s LEU 552 N -3.50 2.12 -0.07 9.08 1.43 -0.98 -1.30 118.68 125.45 1nex s LEU 552 Ca 0.31 -0.39 0.02 0.00 -1.03 0.00 0.00 54.13 53.05 1nex s LEU 552 Cb 0.04 -0.66 0.01 0.00 0.03 0.00 0.00 46.19 45.62 1nex s LEU 552 CO 0.14 0.09 -0.12 -0.63 0.23 0.00 0.00 176.35 176.05 1nex s ILE 553 N -0.66 1.17 -0.28 -0.59 1.01 -0.63 -0.35 121.20 120.87 1nex s ILE 553 Ca 0.03 -0.49 -0.17 0.00 0.00 0.00 0.00 60.65 60.02 1nex s ILE 553 Cb -0.07 -1.08 -0.02 0.00 0.01 0.00 0.00 42.46 41.30 1nex s ILE 553 CO 0.01 0.37 0.50 -0.69 0.00 0.00 0.00 174.94 175.12 1nex s VAL 554 N 0.75 5.07 0.03 2.92 1.01 -0.25 -1.35 120.40 128.58 1nex s VAL 554 Ca -0.13 0.74 0.05 0.00 0.00 0.00 0.00 61.98 62.65 1nex s VAL 554 Cb -0.16 -3.83 -0.03 0.00 0.00 0.00 0.00 36.38 32.36 1nex s VAL 554 CO 0.03 0.04 -0.12 0.26 0.00 0.00 0.00 175.10 175.31 1nex s TRP 555 N 2.30 2.73 -0.54 5.22 0.52 0.65 0.63 118.94 130.44 1nex s TRP 555 Ca 0.20 -0.15 -0.11 0.00 0.02 0.00 0.00 56.10 56.06 1nex s TRP 555 Cb -0.16 -1.52 0.14 0.00 -1.15 0.00 0.00 33.47 30.78 1nex s TRP 555 CO 0.10 0.33 0.44 0.34 0.02 0.00 0.00 176.95 178.18 1nex s ASP 556 N -1.54 5.91 0.49 2.95 -1.08 -0.14 -1.78 116.67 121.48 1nex s ASP 556 Ca 0.17 -2.05 0.13 0.00 -0.52 0.00 0.00 52.55 50.28 1nex s ASP 556 Cb -0.11 -2.07 1.15 0.00 -1.46 0.00 0.00 42.92 40.43 1nex s ASP 556 CO 0.07 -0.70 2.12 0.58 0.52 0.00 0.00 175.17 177.77 1nex h VAL 557 N 5.85 1.03 -0.27 1.11 2.07 -1.08 -1.94 116.25 123.03 1nex h VAL 557 Ca -0.18 -0.07 -0.04 0.00 0.82 0.00 0.00 66.70 67.22 1nex h VAL 557 Cb 1.07 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 31.70 1nex h VAL 557 CO 0.88 0.03 -0.00 0.00 0.02 0.00 0.00 177.57 178.50 1nex h ALA 558 N 1.92 0.36 -3.00 1.67 0.00 -1.92 -3.45 119.26 114.85 1nex h ALA 558 Ca 0.04 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1nex h ALA 558 Cb -0.01 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1nex h ALA 558 CO -0.01 0.10 0.00 1.04 0.00 0.00 0.00 179.25 180.38 1nex n GLN 559 N -4.61 0.00 0.00 0.00 6.02 -0.95 -5.22 117.38 112.63 1nex n GLN 559 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.96 1nex n GLN 559 Cb 0.25 -0.19 0.00 0.00 1.02 0.00 0.00 30.24 31.32 1nex n GLN 559 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1nex n LYS 561 N -1.07 0.00 -2.25 -1.09 5.02 -0.77 -5.00 118.16 113.00 1nex n LYS 561 Ca 0.00 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.87 1nex n LYS 561 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 34.98 1nex n LYS 561 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1nex n LEU 563 N 4.90 1.90 -3.84 0.00 4.77 0.21 -4.92 117.00 120.01 1nex n LEU 563 Ca 0.12 0.39 -0.12 0.00 -0.03 0.00 0.00 56.01 56.37 1nex n LEU 563 Cb 0.44 -0.90 -0.10 0.00 -2.33 0.00 0.00 43.42 40.53 1nex n LEU 563 CO 0.58 0.40 -0.12 -0.31 -1.33 0.00 0.00 177.39 176.60 1nex s TYR 564 N -2.43 -0.02 -0.26 -1.77 2.02 -1.15 -4.99 117.35 108.75 1nex s TYR 564 Ca -0.33 -0.01 -0.01 0.00 -0.37 0.00 0.00 57.07 56.36 1nex s TYR 564 Cb 0.10 -0.01 0.04 0.00 -0.40 0.00 0.00 41.96 41.69 1nex s TYR 564 CO 0.54 -0.30 -0.07 0.42 -1.57 0.00 0.00 175.55 174.58 1nex s ILE 565 N -1.30 2.73 -0.36 2.71 1.01 -1.26 -1.09 121.20 123.64 1nex s ILE 565 Ca -0.14 -1.19 -0.20 0.00 0.00 0.00 0.00 60.65 59.12 1nex s ILE 565 Cb -0.07 -2.44 0.00 0.00 0.01 0.00 0.00 42.46 39.96 1nex s ILE 565 CO 0.02 0.12 0.64 -0.76 0.00 0.00 0.00 174.94 174.96 1nex s LEU 566 N 1.27 4.26 0.27 2.97 1.43 0.53 -4.98 118.68 124.43 1nex s LEU 566 Ca -0.02 0.13 0.10 0.00 -1.03 0.00 0.00 54.13 53.31 1nex s LEU 566 Cb -0.18 -2.78 -0.05 0.00 0.03 0.00 0.00 46.19 43.21 1nex s LEU 566 CO -0.04 -0.60 -0.16 -0.44 0.23 0.00 0.00 176.35 175.34 1nex s SER 567 N 1.80 3.29 0.00 2.29 0.01 -1.26 -2.32 113.70 117.50 1nex s SER 567 Ca 0.24 -1.07 0.00 0.00 1.31 0.00 0.00 55.95 56.43 1nex s SER 567 Cb -0.14 -0.26 0.00 0.00 0.21 0.00 0.00 66.02 65.83 1nex s SER 567 CO 0.15 -0.09 0.00 0.61 0.41 0.00 0.00 173.24 174.32 1nex n GLY 568 N -0.59 3.47 3.58 3.44 0.00 -1.26 -5.00 105.19 108.83 1nex n GLY 568 Ca -0.06 -0.53 -0.44 0.00 0.00 0.00 0.00 46.02 45.00 1nex n GLY 568 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1nex n HIS 569 N 0.00 1.10 -0.75 1.61 8.25 -1.26 -4.88 115.22 119.29 1nex n HIS 569 Ca 0.00 0.66 0.08 0.00 -0.26 0.00 0.00 57.72 58.21 1nex n HIS 569 Cb 0.00 -2.22 0.37 0.00 1.12 0.00 0.00 29.99 29.26 1nex n HIS 569 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1nex n THR 570 N -0.04 2.22 -3.83 1.59 -2.24 -1.26 -4.87 114.28 105.85 1nex n THR 570 Ca 0.10 -1.32 -0.08 0.00 -2.27 0.00 0.00 64.05 60.47 1nex n THR 570 Cb 0.34 -0.05 0.01 0.00 -2.10 0.00 0.00 70.33 68.54 1nex n THR 570 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1nex s ASP 571 N -0.92 -0.06 0.53 3.42 -1.08 -1.26 -4.87 116.67 112.43 1nex s ASP 571 Ca 0.52 -0.99 -0.22 0.00 -0.52 0.00 0.00 52.55 51.35 1nex s ASP 571 Cb 0.36 0.81 -0.05 0.00 -1.46 0.00 0.00 42.92 42.58 1nex s ASP 571 CO 0.20 -1.57 1.30 0.00 0.52 0.00 0.00 175.17 175.63 1nex s ARG 572 N -2.84 3.24 0.08 4.34 1.70 -1.26 -4.16 118.95 120.04 1nex s ARG 572 Ca 0.14 2.10 -0.16 0.00 -0.47 0.00 0.00 55.73 57.35 1nex s ARG 572 Cb -0.05 -2.25 -0.06 0.00 -0.57 0.00 0.00 34.95 32.01 1nex s ARG 572 CO 0.10 -1.07 0.52 0.42 -1.08 0.00 0.00 175.30 174.19 1nex s ILE 573 N -1.38 4.86 -0.03 4.99 1.09 -0.92 -4.50 121.20 125.32 1nex s ILE 573 Ca 0.71 0.97 0.04 0.00 -1.10 0.00 0.00 60.65 61.27 1nex s ILE 573 Cb -0.37 -3.79 -0.06 0.00 -1.06 0.00 0.00 42.46 37.18 1nex s ILE 573 CO 0.44 0.45 0.09 -1.22 -0.10 0.00 0.00 174.94 174.60 1nex n TYR 574 N 1.42 0.00 -3.64 3.97 4.01 -0.41 -4.54 117.16 117.97 1nex n TYR 574 Ca -0.10 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.52 1nex n TYR 574 Cb 0.51 -0.08 -0.07 0.00 -0.31 0.00 0.00 39.34 39.40 1nex n TYR 574 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1nex s SER 575 N -2.30 -0.77 0.01 7.72 0.15 -1.16 -4.65 113.70 112.70 1nex s SER 575 Ca -0.01 1.44 -0.01 0.00 0.70 0.00 0.00 55.95 58.07 1nex s SER 575 Cb 0.02 1.43 -0.01 0.00 -1.71 0.00 0.00 66.02 65.76 1nex s SER 575 CO 0.16 -0.24 0.01 0.28 1.20 0.00 0.00 173.24 174.64 1nex s THR 576 N 0.57 0.07 -0.05 6.45 -1.32 -1.26 -0.94 115.64 119.17 1nex s THR 576 Ca -0.02 -0.58 0.03 0.00 -1.21 0.00 0.00 61.69 59.92 1nex s THR 576 Cb -0.05 -0.21 0.00 0.00 -1.51 0.00 0.00 72.50 70.74 1nex s THR 576 CO -0.02 -0.32 -0.15 -0.63 -2.21 0.00 0.00 174.62 171.29 1nex s ILE 577 N -0.95 1.24 -0.42 5.08 1.01 -0.26 -4.47 121.20 122.43 1nex s ILE 577 Ca -0.10 -0.60 -0.19 0.00 0.00 0.00 0.00 60.65 59.75 1nex s ILE 577 Cb -0.06 -1.09 0.02 0.00 0.01 0.00 0.00 42.46 41.33 1nex s ILE 577 CO -0.00 0.37 0.57 -0.47 0.00 0.00 0.00 174.94 175.40 1nex s TYR 578 N 0.21 3.12 -1.20 3.97 5.04 -1.26 -1.34 117.35 125.88 1nex s TYR 578 Ca -0.06 -0.09 -0.14 0.00 -2.44 0.00 0.00 57.07 54.34 1nex s TYR 578 Cb -0.12 -3.15 0.16 0.00 0.35 0.00 0.00 41.96 39.20 1nex s TYR 578 CO 0.02 -0.76 1.45 0.34 -1.34 0.00 0.00 175.55 175.26 1nex s ASP 579 N 1.90 7.03 0.32 4.32 -1.08 0.28 -4.83 116.67 124.62 1nex s ASP 579 Ca 0.19 -2.90 0.00 0.00 -0.52 0.00 0.00 52.55 49.32 1nex s ASP 579 Cb -0.15 -2.42 0.54 0.00 -1.46 0.00 0.00 42.92 39.43 1nex s ASP 579 CO 0.16 -0.80 1.98 1.12 0.52 0.00 0.00 175.17 178.16 1nex h HIS 580 N 7.27 0.90 -0.42 -5.34 2.07 -1.94 1.00 115.15 118.70 1nex h HIS 580 Ca 0.32 0.01 0.03 0.00 -2.85 0.00 0.00 60.37 57.89 1nex h HIS 580 Cb 0.88 -0.30 -0.04 0.00 2.57 0.00 0.00 27.41 30.52 1nex h HIS 580 CO 1.13 0.58 0.21 1.49 -3.07 0.00 0.00 177.93 178.27 1nex h GLU 581 N 0.96 0.41 -0.01 5.12 4.81 -1.95 -2.81 114.58 121.11 1nex h GLU 581 Ca 0.26 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.46 1nex h GLU 581 Cb -0.08 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.20 1nex h GLU 581 CO -0.05 0.27 -0.46 0.54 -0.73 0.00 0.00 179.01 178.58 1nex n ARG 582 N -4.92 0.84 -3.33 1.92 1.74 -1.03 -4.99 116.66 106.90 1nex n ARG 582 Ca 0.02 -0.62 -0.17 0.00 -0.77 0.00 0.00 57.85 56.31 1nex n ARG 582 Cb 0.10 -1.49 0.07 0.00 -1.02 0.00 0.00 32.46 30.13 1nex n ARG 582 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 1nex n LYS 583 N -0.53 -2.90 -3.93 5.56 3.00 0.34 -4.94 118.16 114.74 1nex n LYS 583 Ca 0.09 0.82 -0.09 0.00 -0.00 0.00 0.00 58.31 59.14 1nex n LYS 583 Cb 0.40 -5.68 -0.07 0.00 0.00 0.00 0.00 35.03 29.67 1nex n LYS 583 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 1nex s ARG 584 N -4.72 0.96 -0.08 1.64 0.52 -0.49 -2.51 118.95 114.28 1nex s ARG 584 Ca 0.38 -1.10 0.03 0.00 -0.52 0.00 0.00 55.73 54.52 1nex s ARG 584 Cb -0.06 0.34 0.01 0.00 0.52 0.00 0.00 34.95 35.76 1nex s ARG 584 CO 0.75 -0.32 -0.18 0.00 0.02 0.00 0.00 175.30 175.57 1nex s ILE 586 N 0.45 4.89 0.00 0.00 1.09 -0.45 0.33 121.20 127.50 1nex s ILE 586 Ca -0.16 -0.10 0.00 0.00 -1.10 0.00 0.00 60.65 59.30 1nex s ILE 586 Cb -0.17 -3.13 -0.00 0.00 -1.06 0.00 0.00 42.46 38.10 1nex s ILE 586 CO 0.06 0.55 -0.02 -0.94 -0.10 0.00 0.00 174.94 174.49 1nex s SER 587 N -1.14 0.20 -0.09 3.58 1.04 -0.19 -1.11 113.70 115.98 1nex s SER 587 Ca 0.16 -0.06 0.03 0.00 0.48 0.00 0.00 55.95 56.56 1nex s SER 587 Cb -0.12 -0.01 0.01 0.00 0.10 0.00 0.00 66.02 65.99 1nex s SER 587 CO 0.06 0.00 -0.19 0.00 0.98 0.00 0.00 173.24 174.09 1nex s ALA 588 N -0.13 1.85 0.00 5.32 0.00 -0.12 -0.92 121.76 127.77 1nex s ALA 588 Ca -0.00 -0.79 0.00 0.00 0.00 0.00 0.00 51.96 51.17 1nex s ALA 588 Cb -0.01 -0.76 0.00 0.00 0.00 0.00 0.00 23.12 22.35 1nex s ALA 588 CO -0.00 0.16 0.00 0.45 0.00 0.00 0.00 175.76 176.37 1nex n SER 589 N 3.75 0.00 0.00 0.00 2.88 -1.00 -1.29 113.62 117.95 1nex n SER 589 Ca -0.20 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.34 1nex n SER 589 Cb 0.52 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.98 1nex n SER 589 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1nex n ASP 591 N 0.00 -0.31 0.00 -3.46 5.68 -1.26 -2.74 116.55 114.45 1nex n ASP 591 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 1nex n ASP 591 Cb 0.00 -0.54 0.00 0.00 -1.14 0.00 0.00 41.12 39.44 1nex n ASP 591 CO 0.00 0.00 0.00 0.41 -1.33 0.00 0.00 177.20 176.28 1nex n THR 592 N 0.23 0.00 -3.09 2.12 -1.04 -1.26 -5.00 114.28 106.24 1nex n THR 592 Ca 0.00 0.00 -0.18 0.00 -2.04 0.00 0.00 64.05 61.83 1nex n THR 592 Cb 0.03 0.00 0.01 0.00 -1.82 0.00 0.00 70.33 68.54 1nex n THR 592 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 1nex s THR 593 N -2.64 2.94 -0.04 12.58 -4.23 -1.26 -4.35 115.64 118.64 1nex s THR 593 Ca 0.00 -1.05 0.03 0.00 -1.18 0.00 0.00 61.69 59.50 1nex s THR 593 Cb 0.00 -2.98 0.00 0.00 1.34 0.00 0.00 72.50 70.86 1nex s THR 593 CO 0.00 0.00 -0.14 -0.63 -0.54 0.00 0.00 174.62 173.31 1nex s ILE 594 N -2.37 1.16 -0.03 2.99 1.01 -0.56 -2.38 121.20 121.03 1nex s ILE 594 Ca 0.54 -0.56 0.06 0.00 0.00 0.00 0.00 60.65 60.70 1nex s ILE 594 Cb -0.09 -1.02 -0.01 0.00 0.01 0.00 0.00 42.46 41.35 1nex s ILE 594 CO 0.32 0.35 -0.21 -0.13 0.00 0.00 0.00 174.94 175.27 1nex s ARG 595 N 0.20 1.81 -0.20 2.79 0.52 -0.09 0.28 118.95 124.25 1nex s ARG 595 Ca -0.05 -0.74 -0.05 0.00 -0.52 0.00 0.00 55.73 54.36 1nex s ARG 595 Cb -0.11 -1.69 -0.03 0.00 0.52 0.00 0.00 34.95 33.65 1nex s ARG 595 CO 0.02 0.41 0.01 0.42 0.02 0.00 0.00 175.30 176.17 1nex s ILE 596 N -0.36 4.01 -0.05 1.52 -1.09 -0.57 -1.02 121.20 123.64 1nex s ILE 596 Ca 0.05 -0.29 0.05 0.00 -2.23 0.00 0.00 60.65 58.23 1nex s ILE 596 Cb -0.09 -2.81 -0.02 0.00 -1.58 0.00 0.00 42.46 37.96 1nex s ILE 596 CO 0.00 0.43 -0.22 0.26 -1.23 0.00 0.00 174.94 174.18 1nex s TRP 597 N 0.96 2.51 -0.35 3.97 0.52 0.15 -2.77 118.94 123.93 1nex s TRP 597 Ca 0.02 -0.54 -0.27 0.00 0.02 0.00 0.00 56.10 55.33 1nex s TRP 597 Cb -0.14 -1.61 0.01 0.00 -1.15 0.00 0.00 33.47 30.58 1nex s TRP 597 CO 0.02 -0.10 0.97 0.34 0.02 0.00 0.00 176.95 178.20 1nex s ASP 598 N -0.33 6.76 -0.13 2.95 -1.08 -0.88 -0.31 116.67 123.66 1nex s ASP 598 Ca 0.02 0.75 0.03 0.00 -0.52 0.00 0.00 52.55 52.83 1nex s ASP 598 Cb -0.13 -2.49 0.28 0.00 -1.46 0.00 0.00 42.92 39.12 1nex s ASP 598 CO 0.02 -0.85 1.17 0.18 0.52 0.00 0.00 175.17 176.22 1nex n LEU 599 N 6.78 3.67 -0.78 -1.34 4.77 -1.04 -1.23 117.00 127.82 1nex n LEU 599 Ca 0.09 -1.89 0.08 0.00 -0.03 0.00 0.00 56.01 54.26 1nex n LEU 599 Cb 0.48 -0.60 0.14 0.00 -2.33 0.00 0.00 43.42 41.10 1nex n LEU 599 CO 0.58 0.56 0.59 -0.62 -1.33 0.00 0.00 177.39 177.17 1nex n GLU 600 N 0.04 1.95 0.00 3.23 -0.58 -1.26 -4.62 120.64 119.40 1nex n GLU 600 Ca 0.17 -1.84 0.00 0.00 -0.42 0.00 0.00 57.16 55.07 1nex n GLU 600 Cb 0.79 -1.35 0.00 0.00 -0.57 0.00 0.00 31.44 30.31 1nex n GLU 600 CO 0.00 0.00 0.00 0.27 -0.48 0.00 0.00 177.13 176.92 1nex n ASN 605 N 0.94 0.00 -0.09 1.62 6.94 -1.22 -5.02 115.26 118.44 1nex n ASN 605 Ca 0.13 0.00 -0.01 0.00 -0.02 0.00 0.00 54.58 54.68 1nex n ASN 605 Cb 0.45 0.00 -0.00 0.00 -2.36 0.00 0.00 39.78 37.87 1nex n ASN 605 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1nex n GLY 606 N 0.00 0.17 3.90 4.83 0.00 -0.37 -5.00 105.19 108.72 1nex n GLY 606 Ca 0.00 -0.01 -0.28 0.00 0.00 0.00 0.00 46.02 45.73 1nex n GLY 606 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1nex s GLU 607 N -1.87 3.60 1.14 1.61 4.04 -1.23 -4.82 118.70 121.17 1nex s GLU 607 Ca 0.00 0.32 -0.16 0.00 0.04 0.00 0.00 54.97 55.17 1nex s GLU 607 Cb 0.00 -2.35 0.26 0.00 0.02 0.00 0.00 34.13 32.06 1nex s GLU 607 CO 0.00 -0.21 1.09 -1.17 -1.84 0.00 0.00 175.26 173.13 1nex s LEU 608 N -4.58 0.90 0.62 1.83 2.96 -1.26 -2.08 118.68 117.07 1nex s LEU 608 Ca 0.49 0.91 -0.12 0.00 -0.22 0.00 0.00 54.13 55.19 1nex s LEU 608 Cb -0.10 -2.79 -0.03 0.00 0.50 0.00 0.00 46.19 43.76 1nex s LEU 608 CO 0.43 -3.86 1.03 -0.31 -1.32 0.00 0.00 176.35 172.32 1nex s TYR 626 N -2.91 3.46 -0.15 5.38 2.02 -1.11 -4.83 117.35 119.21 1nex s TYR 626 Ca 0.68 1.35 0.01 0.00 -0.37 0.00 0.00 57.07 58.74 1nex s TYR 626 Cb -0.14 -2.78 0.02 0.00 -0.40 0.00 0.00 41.96 38.66 1nex s TYR 626 CO 0.57 -0.79 -0.15 0.99 -1.57 0.00 0.00 175.55 174.60 1nex s THR 627 N -3.04 1.67 -0.22 -0.71 2.01 -1.26 -1.52 115.64 112.57 1nex s THR 627 Ca 0.57 -0.70 -0.10 0.00 0.31 0.00 0.00 61.69 61.77 1nex s THR 627 Cb -0.12 -1.55 -0.05 0.00 0.01 0.00 0.00 72.50 70.79 1nex s THR 627 CO 0.50 0.48 0.14 -0.76 -0.69 0.00 0.00 174.62 174.29 1nex s LEU 628 N 1.41 4.15 -0.26 4.42 1.43 0.14 -4.96 118.68 125.01 1nex s LEU 628 Ca 0.04 0.16 0.03 0.00 -1.03 0.00 0.00 54.13 53.33 1nex s LEU 628 Cb -0.13 -2.09 0.06 0.00 0.03 0.00 0.00 46.19 44.06 1nex s LEU 628 CO -0.11 0.12 -0.08 -1.58 0.23 0.00 0.00 176.35 174.93 1nex s GLN 629 N 0.71 2.05 0.00 1.70 2.00 -1.26 -1.49 119.66 123.37 1nex s GLN 629 Ca 0.08 -1.33 0.02 0.00 -2.00 0.00 0.00 55.36 52.12 1nex s GLN 629 Cb -0.12 -2.86 0.04 0.00 0.80 0.00 0.00 33.01 30.86 1nex s GLN 629 CO 0.01 -0.61 0.98 0.41 -0.50 0.00 0.00 175.29 175.58 1nex n GLY 630 N 4.46 0.58 3.26 2.59 0.00 -1.26 -5.10 105.19 109.71 1nex n GLY 630 Ca -0.12 -0.07 -0.13 0.00 0.00 0.00 0.00 46.02 45.70 1nex n GLY 630 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1nex s HIS 631 N 0.00 -0.30 -1.64 1.61 3.76 -1.26 -4.90 115.29 112.56 1nex s HIS 631 Ca 0.03 0.64 0.16 0.00 -0.15 0.00 0.00 55.06 55.74 1nex s HIS 631 Cb 0.03 0.13 0.31 0.00 1.11 0.00 0.00 32.58 34.16 1nex s HIS 631 CO -0.01 -0.30 1.22 0.25 -0.85 0.00 0.00 174.74 175.05 1nex n THR 632 N 2.05 0.57 -4.22 1.30 -2.24 -1.26 -4.82 114.28 105.67 1nex n THR 632 Ca -0.17 -0.79 -0.18 0.00 -2.27 0.00 0.00 64.05 60.64 1nex n THR 632 Cb 0.57 0.86 -0.07 0.00 -2.10 0.00 0.00 70.33 69.59 1nex n THR 632 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1nex s ALA 633 N -1.15 1.49 -0.12 6.98 0.00 -1.26 -4.99 121.76 122.71 1nex s ALA 633 Ca 0.28 -1.89 -0.38 0.00 0.00 0.00 0.00 51.96 49.97 1nex s ALA 633 Cb 0.16 1.37 -0.15 0.00 0.00 0.00 0.00 23.12 24.50 1nex s ALA 633 CO 0.22 -0.70 1.65 -0.11 0.00 0.00 0.00 175.76 176.82 1nex n LEU 634 N -0.59 2.43 -4.43 0.00 -0.00 -1.26 -4.40 117.00 108.74 1nex n LEU 634 Ca 0.05 1.07 -0.44 0.00 -0.00 0.00 0.00 56.01 56.69 1nex n LEU 634 Cb 0.62 -1.21 -0.07 0.00 -0.00 0.00 0.00 43.42 42.76 1nex n LEU 634 CO 0.31 -0.51 0.17 -0.69 -0.00 0.00 0.00 177.39 176.67 1nex s VAL 635 N 2.66 5.06 -0.61 1.96 1.01 -1.11 0.30 120.40 129.67 1nex s VAL 635 Ca 0.92 -0.67 0.10 0.00 0.00 0.00 0.00 61.98 62.34 1nex s VAL 635 Cb -0.95 -4.17 -0.09 0.00 0.00 0.00 0.00 36.38 31.17 1nex s VAL 635 CO 0.56 -0.63 0.49 0.61 0.00 0.00 0.00 175.10 176.14 1nex n GLY 636 N 5.17 -0.02 3.19 4.51 0.00 -1.14 -3.80 105.19 113.11 1nex n GLY 636 Ca -0.09 -0.30 -0.29 0.00 0.00 0.00 0.00 46.02 45.34 1nex n GLY 636 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1nex s LEU 637 N -2.29 1.99 0.01 0.99 1.43 -1.15 -4.49 118.68 115.17 1nex s LEU 637 Ca 0.05 -0.46 0.01 0.00 -1.03 0.00 0.00 54.13 52.70 1nex s LEU 637 Cb 0.08 -1.22 -0.01 0.00 0.03 0.00 0.00 46.19 45.07 1nex s LEU 637 CO 0.39 0.18 -0.04 -0.76 0.23 0.00 0.00 176.35 176.35 1nex s LEU 638 N 0.11 2.11 -0.13 1.79 1.43 -1.26 -2.40 118.68 120.33 1nex s LEU 638 Ca -0.09 -0.24 -0.08 0.00 -1.03 0.00 0.00 54.13 52.68 1nex s LEU 638 Cb -0.14 -0.09 0.04 0.00 0.03 0.00 0.00 46.19 46.03 1nex s LEU 638 CO 0.05 -0.09 0.31 -0.13 0.23 0.00 0.00 176.35 176.72 1nex s ARG 639 N -0.66 0.31 -0.37 1.70 1.81 -0.97 -5.03 118.95 115.75 1nex s ARG 639 Ca -0.05 0.55 -0.08 0.00 -1.72 0.00 0.00 55.73 54.44 1nex s ARG 639 Cb -0.05 0.02 0.05 0.00 -0.45 0.00 0.00 34.95 34.53 1nex s ARG 639 CO -0.00 -0.11 0.16 -1.17 -0.68 0.00 0.00 175.30 173.50 1nex s LEU 640 N 0.85 4.62 0.57 2.53 0.20 -1.26 -1.34 118.68 124.86 1nex s LEU 640 Ca -0.06 -1.25 -0.03 0.00 0.69 0.00 0.00 54.13 53.48 1nex s LEU 640 Cb -0.07 -1.92 0.02 0.00 -0.43 0.00 0.00 46.19 43.79 1nex s LEU 640 CO -0.06 -0.40 0.84 -0.55 -0.29 0.00 0.00 176.35 175.90 1nex s SER 641 N 1.62 5.47 0.54 3.68 0.15 0.23 -4.94 113.70 120.45 1nex s SER 641 Ca 0.00 0.44 0.24 0.00 0.70 0.00 0.00 55.95 57.34 1nex s SER 641 Cb -0.20 -1.42 1.44 0.00 -1.71 0.00 0.00 66.02 64.12 1nex s SER 641 CO 0.03 -1.08 2.06 -0.78 1.20 0.00 0.00 173.24 174.67 1nex h ASP 642 N -0.06 0.00 0.00 5.45 3.58 -1.95 -3.01 116.42 120.43 1nex h ASP 642 Ca -0.45 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.00 1nex h ASP 642 Cb 1.27 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.32 1nex h ASP 642 CO 0.58 0.00 -0.81 1.17 -2.88 0.00 0.00 179.24 177.31 1nex n LYS 643 N -4.25 1.91 -4.28 0.28 4.81 -1.26 -4.91 118.16 110.46 1nex n LYS 643 Ca 0.05 -0.01 -0.16 0.00 -0.87 0.00 0.00 58.31 57.31 1nex n LYS 643 Cb 0.41 -0.92 -0.10 0.00 0.02 0.00 0.00 35.03 34.44 1nex n LYS 643 CO 0.00 0.00 0.00 -0.06 1.17 0.00 0.00 177.40 178.51 1nex s PHE 644 N -1.87 1.42 -0.31 5.64 0.40 -1.14 -2.00 117.98 120.11 1nex s PHE 644 Ca -0.00 -0.67 0.00 0.00 -0.60 0.00 0.00 56.93 55.66 1nex s PHE 644 Cb 0.01 -0.70 0.07 0.00 0.51 0.00 0.00 43.02 42.91 1nex s PHE 644 CO 0.09 0.17 0.00 -1.17 0.70 0.00 0.00 175.22 175.02 1nex s LEU 645 N -3.10 4.06 -0.14 -0.37 2.96 0.45 0.76 118.68 123.29 1nex s LEU 645 Ca 0.17 -1.52 -0.05 0.00 -0.22 0.00 0.00 54.13 52.51 1nex s LEU 645 Cb 0.00 -1.67 -0.04 0.00 0.50 0.00 0.00 46.19 44.99 1nex s LEU 645 CO 0.03 -0.29 0.04 -0.69 -1.32 0.00 0.00 176.35 174.12 1nex s VAL 646 N 1.15 4.64 0.05 1.68 1.01 -0.45 -0.80 120.40 127.68 1nex s VAL 646 Ca -0.02 -0.10 0.02 0.00 0.00 0.00 0.00 61.98 61.88 1nex s VAL 646 Cb -0.20 -3.03 -0.03 0.00 0.00 0.00 0.00 36.38 33.12 1nex s VAL 646 CO -0.04 0.54 -0.08 -0.94 0.00 0.00 0.00 175.10 174.58 1nex s SER 647 N -0.25 0.97 0.02 3.32 1.04 0.20 -2.29 113.70 116.71 1nex s SER 647 Ca 0.07 -0.60 0.01 0.00 0.48 0.00 0.00 55.95 55.91 1nex s SER 647 Cb -0.12 0.03 -0.01 0.00 0.10 0.00 0.00 66.02 66.02 1nex s SER 647 CO 0.02 -0.22 -0.04 0.00 0.98 0.00 0.00 173.24 173.98 1nex s ALA 648 N -1.60 0.24 0.33 5.32 0.00 -1.01 0.17 121.76 125.21 1nex s ALA 648 Ca -0.07 -0.44 0.05 0.00 0.00 0.00 0.00 51.96 51.49 1nex s ALA 648 Cb -0.08 0.06 -0.06 0.00 0.00 0.00 0.00 23.12 23.03 1nex s ALA 648 CO 0.00 -0.05 0.03 0.00 0.00 0.00 0.00 175.76 175.74 1nex s ALA 649 N -0.92 2.46 0.07 0.00 0.00 -0.21 -2.88 121.76 120.28 1nex s ALA 649 Ca -0.08 -2.07 0.22 0.00 0.00 0.00 0.00 51.96 50.02 1nex s ALA 649 Cb -0.07 0.51 1.18 0.00 0.00 0.00 0.00 23.12 24.74 1nex s ALA 649 CO -0.00 -0.24 1.62 0.00 0.00 0.00 0.00 175.76 177.14 1nex h ALA 650 N 2.10 1.11 -0.15 0.00 0.00 -0.39 -0.71 119.26 121.22 1nex h ALA 650 Ca -0.41 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1nex h ALA 650 Cb 1.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1nex h ALA 650 CO 0.71 -0.11 0.00 -0.40 0.00 0.00 0.00 179.25 179.44 1nex n ASP 651 N -2.33 1.39 0.00 0.00 5.68 -1.26 -3.19 116.55 116.83 1nex n ASP 651 Ca -0.01 -1.68 0.00 0.00 -0.50 0.00 0.00 54.79 52.59 1nex n ASP 651 Cb 0.19 -0.09 0.00 0.00 -1.14 0.00 0.00 41.12 40.07 1nex n ASP 651 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1nex n GLY 652 N 1.06 0.65 3.88 6.12 0.00 -0.28 -4.54 105.19 112.08 1nex n GLY 652 Ca 0.15 -0.15 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1nex n GLY 652 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1nex s SER 653 N -2.14 6.51 -0.04 1.61 1.04 -1.24 -1.01 113.70 118.44 1nex s SER 653 Ca 0.00 0.59 0.03 0.00 0.48 0.00 0.00 55.95 57.05 1nex s SER 653 Cb 0.00 -2.10 0.00 0.00 0.10 0.00 0.00 66.02 64.02 1nex s SER 653 CO 0.00 0.23 -0.13 -0.63 0.98 0.00 0.00 173.24 173.69 1nex s ILE 654 N -1.34 1.11 0.03 -1.02 1.01 -0.12 -1.05 121.20 119.82 1nex s ILE 654 Ca 0.29 -0.53 0.06 0.00 0.00 0.00 0.00 60.65 60.47 1nex s ILE 654 Cb -0.13 -0.97 -0.02 0.00 0.01 0.00 0.00 42.46 41.34 1nex s ILE 654 CO 0.17 0.33 -0.17 -0.13 0.00 0.00 0.00 174.94 175.14 1nex s ARG 655 N 0.21 1.21 -0.15 2.79 0.52 0.46 -1.16 118.95 122.84 1nex s ARG 655 Ca -0.05 -0.77 -0.01 0.00 -0.52 0.00 0.00 55.73 54.37 1nex s ARG 655 Cb -0.11 -1.25 -0.01 0.00 0.52 0.00 0.00 34.95 34.10 1nex s ARG 655 CO 0.02 0.32 -0.11 0.20 0.02 0.00 0.00 175.30 175.75 1nex s GLY 656 N -0.93 1.57 0.13 -3.53 0.00 0.20 -0.63 107.32 104.12 1nex s GLY 656 Ca 0.05 -0.94 0.09 0.00 0.00 0.00 0.00 44.72 43.93 1nex s GLY 656 CO 0.01 -0.06 -0.22 -0.98 0.00 0.00 0.00 173.10 171.85 1nex s TRP 657 N 0.57 1.95 0.25 1.90 0.52 0.02 -0.94 118.94 123.22 1nex s TRP 657 Ca -0.07 -0.41 -0.30 0.00 0.02 0.00 0.00 56.10 55.34 1nex s TRP 657 Cb -0.15 -1.04 -0.11 0.00 -1.15 0.00 0.00 33.47 31.03 1nex s TRP 657 CO 0.03 0.29 1.52 0.34 0.02 0.00 0.00 176.95 179.15 1nex s ASP 658 N -2.18 6.54 0.00 2.95 2.15 -0.57 -0.41 116.67 125.15 1nex s ASP 658 Ca 0.11 2.77 0.15 0.00 0.43 0.00 0.00 52.55 56.01 1nex s ASP 658 Cb -0.09 -2.62 0.68 0.00 -0.30 0.00 0.00 42.92 40.59 1nex s ASP 658 CO 0.06 -0.80 1.44 0.00 -0.17 0.00 0.00 175.17 175.69 1nex n ALA 659 N 2.52 1.74 -0.04 3.66 0.00 -0.85 -0.53 120.51 127.01 1nex n ALA 659 Ca 0.08 -0.06 -0.07 0.00 0.00 0.00 0.00 53.44 53.40 1nex n ALA 659 Cb 0.39 -1.24 -0.04 0.00 0.00 0.00 0.00 19.45 18.56 1nex n ALA 659 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1nex n ASN 660 N -1.40 2.89 -0.16 0.00 2.85 -1.26 -4.77 115.26 113.41 1nex n ASN 660 Ca 0.05 -0.02 0.02 0.00 -0.11 0.00 0.00 54.58 54.52 1nex n ASN 660 Cb 0.14 -0.16 0.02 0.00 1.24 0.00 0.00 39.78 41.02 1nex n ASN 660 CO 0.00 0.00 0.00 -0.90 -2.11 0.00 0.00 177.26 174.25 1nex n ASP 661 N -2.86 1.49 -1.91 1.20 3.85 -1.25 -5.03 116.55 112.04 1nex n ASP 661 Ca -0.16 -1.31 -0.15 0.00 -0.71 0.00 0.00 54.79 52.46 1nex n ASP 661 Cb 0.66 -0.01 -0.04 0.00 -1.35 0.00 0.00 41.12 40.38 1nex n ASP 661 CO 0.00 0.00 0.00 -1.22 -1.01 0.00 0.00 177.20 174.97 1nex n TYR 662 N 0.13 -0.78 -1.98 2.11 4.02 0.31 -4.89 117.16 116.08 1nex n TYR 662 Ca 0.02 0.00 -0.35 0.00 -0.01 0.00 0.00 57.90 57.57 1nex n TYR 662 Cb 0.13 -2.92 0.03 0.00 -0.02 0.00 0.00 39.34 36.57 1nex n TYR 662 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 1nex s SER 663 N -2.14 5.27 0.21 7.72 1.04 -1.26 -4.38 113.70 120.16 1nex s SER 663 Ca 0.00 2.20 -0.31 0.00 0.48 0.00 0.00 55.95 58.32 1nex s SER 663 Cb 0.00 -2.58 -0.10 0.00 0.10 0.00 0.00 66.02 63.44 1nex s SER 663 CO 0.00 -1.52 1.55 -0.13 0.98 0.00 0.00 173.24 174.11 1nex s ARG 664 N -3.58 4.21 -0.05 4.02 0.52 -1.26 -1.51 118.95 121.30 1nex s ARG 664 Ca 0.72 2.40 0.01 0.00 -0.52 0.00 0.00 55.73 58.34 1nex s ARG 664 Cb -0.25 -3.12 -0.04 0.00 0.52 0.00 0.00 34.95 32.07 1nex s ARG 664 CO 0.34 -0.57 -0.04 1.63 0.02 0.00 0.00 175.30 176.69 1nex n LYS 665 N 3.24 0.66 -3.60 3.54 4.76 -0.11 -4.87 118.16 121.78 1nex n LYS 665 Ca 0.11 0.02 -0.06 0.00 -2.87 0.00 0.00 58.31 55.51 1nex n LYS 665 Cb 0.39 -1.10 -0.02 0.00 -1.84 0.00 0.00 35.03 32.46 1nex n LYS 665 CO 0.00 0.00 0.00 -0.59 -1.37 0.00 0.00 177.40 175.44 1nex s PHE 666 N -2.10 -0.26 -0.18 2.13 -0.12 -1.12 -4.97 117.98 111.37 1nex s PHE 666 Ca -0.06 0.06 -0.22 0.00 -0.05 0.00 0.00 56.93 56.66 1nex s PHE 666 Cb 0.02 0.58 0.06 0.00 -0.63 0.00 0.00 43.02 43.04 1nex s PHE 666 CO 0.12 -0.64 0.59 -1.54 -0.05 0.00 0.00 175.22 173.71 1nex s SER 667 N -2.66 -0.60 0.10 1.98 1.04 -1.26 0.58 113.70 112.88 1nex s SER 667 Ca 0.08 1.03 0.01 0.00 0.48 0.00 0.00 55.95 57.55 1nex s SER 667 Cb -0.01 1.03 -0.04 0.00 0.10 0.00 0.00 66.02 67.10 1nex s SER 667 CO -0.05 -0.30 -0.04 -0.31 0.98 0.00 0.00 173.24 173.52 1nex s TYR 668 N -0.09 0.87 -0.06 5.02 1.51 -0.31 -4.99 117.35 119.30 1nex s TYR 668 Ca -0.03 -0.99 -0.02 0.00 -1.01 0.00 0.00 57.07 55.02 1nex s TYR 668 Cb -0.04 -0.52 0.04 0.00 -0.11 0.00 0.00 41.96 41.33 1nex s TYR 668 CO 0.03 -0.24 0.13 -1.58 -1.11 0.00 0.00 175.55 172.78 1nex s HIS 669 N -3.72 -0.13 -0.25 2.71 2.46 -1.26 -0.94 115.29 114.16 1nex s HIS 669 Ca 0.14 0.43 -0.29 0.00 0.47 0.00 0.00 55.06 55.81 1nex s HIS 669 Cb 0.06 -0.12 -0.02 0.00 -0.13 0.00 0.00 32.58 32.37 1nex s HIS 669 CO -0.04 -0.16 1.64 -1.01 -2.47 0.00 0.00 174.74 172.71 1nex s HIS 670 N 1.19 2.06 0.55 3.88 3.76 -0.18 -4.87 115.29 121.68 1nex s HIS 670 Ca -0.09 0.56 0.48 0.00 -0.15 0.00 0.00 55.06 55.86 1nex s HIS 670 Cb -0.12 -4.03 1.65 0.00 1.11 0.00 0.00 32.58 31.19 1nex s HIS 670 CO -0.05 -2.91 1.51 2.41 -0.85 0.00 0.00 174.74 174.85 1nex n THR 671 N 6.62 0.00 0.73 1.30 -1.04 -1.26 0.76 114.28 121.39 1nex n THR 671 Ca 0.19 1.45 0.11 0.00 -2.04 0.00 0.00 64.05 63.76 1nex n THR 671 Cb 0.46 -2.43 0.28 0.00 -1.82 0.00 0.00 70.33 66.82 1nex n THR 671 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 1nex n ASN 672 N -3.84 2.66 -1.73 8.00 6.94 -1.26 -4.95 115.26 121.07 1nex n ASN 672 Ca 0.42 -1.88 -0.20 0.00 -0.02 0.00 0.00 54.58 52.90 1nex n ASN 672 Cb 1.96 -0.18 -0.07 0.00 -2.36 0.00 0.00 39.78 39.12 1nex n ASN 672 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1nex n LEU 673 N 0.98 -1.58 -4.88 -4.53 4.77 0.23 -4.99 117.00 106.98 1nex n LEU 673 Ca 0.18 0.39 -0.30 0.00 -0.03 0.00 0.00 56.01 56.25 1nex n LEU 673 Cb 0.48 -2.83 -0.00 0.00 -2.33 0.00 0.00 43.42 38.74 1nex n LEU 673 CO 0.14 -0.88 0.57 -0.94 -1.33 0.00 0.00 177.39 174.95 1nex s SER 674 N -2.63 6.32 0.45 -1.43 1.04 -1.26 -4.48 113.70 111.71 1nex s SER 674 Ca 0.00 1.20 -0.25 0.00 0.48 0.00 0.00 55.95 57.38 1nex s SER 674 Cb 0.00 -2.37 -0.08 0.00 0.10 0.00 0.00 66.02 63.68 1nex s SER 674 CO 0.00 -0.66 1.35 0.00 0.98 0.00 0.00 173.24 174.91 1nex s ALA 675 N -2.84 3.15 -0.24 5.32 0.00 -1.19 -2.94 121.76 123.03 1nex s ALA 675 Ca 0.52 1.31 -0.29 0.00 0.00 0.00 0.00 51.96 53.50 1nex s ALA 675 Cb -0.11 -3.53 0.01 0.00 0.00 0.00 0.00 23.12 19.49 1nex s ALA 675 CO 0.45 -1.04 1.08 0.42 0.00 0.00 0.00 175.76 176.67 1nex s ILE 676 N -1.27 4.59 -0.09 0.00 -1.09 -1.19 -4.33 121.20 117.81 1nex s ILE 676 Ca 0.61 1.90 0.15 0.00 -2.23 0.00 0.00 60.65 61.09 1nex s ILE 676 Cb -0.40 -4.28 -0.17 0.00 -1.58 0.00 0.00 42.46 36.03 1nex s ILE 676 CO 0.50 -0.23 0.76 0.41 -1.23 0.00 0.00 174.94 175.16 1nex n THR 677 N 5.43 1.34 -3.54 2.92 -1.04 0.30 -4.81 114.28 114.88 1nex n THR 677 Ca 0.12 -0.73 -0.14 0.00 -2.04 0.00 0.00 64.05 61.27 1nex n THR 677 Cb 0.46 -0.84 -0.05 0.00 -1.82 0.00 0.00 70.33 68.08 1nex n THR 677 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 1nex s THR 678 N -2.81 0.00 0.11 12.58 -1.32 -0.99 -4.89 115.64 118.33 1nex s THR 678 Ca -0.04 0.00 -0.25 0.00 -1.21 0.00 0.00 61.69 60.20 1nex s THR 678 Cb 0.08 -1.00 0.08 0.00 -1.51 0.00 0.00 72.50 70.15 1nex s THR 678 CO 0.82 0.00 0.66 0.72 -2.21 0.00 0.00 174.62 174.61 1nex s PHE 679 N -1.39 -0.51 -0.04 9.09 -0.12 -1.26 0.46 117.98 124.21 1nex s PHE 679 Ca -0.05 0.37 -0.06 0.00 -0.05 0.00 0.00 56.93 57.13 1nex s PHE 679 Cb -0.00 0.55 0.01 0.00 -0.63 0.00 0.00 43.02 42.94 1nex s PHE 679 CO 0.04 -0.78 0.15 -0.47 -0.05 0.00 0.00 175.22 174.11 1nex s TYR 680 N -3.45 -0.11 0.21 3.49 5.04 0.14 -4.85 117.35 117.82 1nex s TYR 680 Ca 0.01 0.28 0.02 0.00 -2.44 0.00 0.00 57.07 54.93 1nex s TYR 680 Cb -0.01 0.03 -0.05 0.00 0.35 0.00 0.00 41.96 42.28 1nex s TYR 680 CO -0.11 -0.13 0.03 0.14 -1.34 0.00 0.00 175.55 174.14 1nex s VAL 681 N -0.28 0.68 0.22 3.14 -7.23 -1.26 -1.41 120.40 114.26 1nex s VAL 681 Ca -0.04 -1.99 -0.11 0.00 -1.81 0.00 0.00 61.98 58.03 1nex s VAL 681 Cb -0.03 -2.32 -0.01 0.00 0.56 0.00 0.00 36.38 34.58 1nex s VAL 681 CO 0.01 -0.30 0.39 -0.94 -0.31 0.00 0.00 175.10 173.95 1nex s SER 682 N -3.24 -0.04 0.11 4.85 1.04 -0.29 -4.92 113.70 111.21 1nex s SER 682 Ca 0.29 -0.97 0.15 0.00 0.48 0.00 0.00 55.95 55.90 1nex s SER 682 Cb 0.07 0.53 0.66 0.00 0.10 0.00 0.00 66.02 67.37 1nex s SER 682 CO 0.08 -1.05 1.45 0.47 0.98 0.00 0.00 173.24 175.17 1nex n ASP 683 N -0.34 0.25 -0.02 7.02 8.00 -1.26 -3.07 116.55 127.13 1nex n ASP 683 Ca -0.02 0.58 0.01 0.00 0.71 0.00 0.00 54.79 56.07 1nex n ASP 683 Cb 0.63 -0.63 -0.07 0.00 -0.02 0.00 0.00 41.12 41.03 1nex n ASP 683 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1nex n ASN 684 N -1.80 2.88 -3.99 -2.24 3.02 -1.26 -4.77 115.26 107.10 1nex n ASN 684 Ca 0.02 0.00 -0.10 0.00 -0.03 0.00 0.00 54.58 54.47 1nex n ASN 684 Cb 0.13 1.13 -0.11 0.00 -0.61 0.00 0.00 39.78 40.32 1nex n ASN 684 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1nex s ILE 685 N -2.46 0.19 -0.07 2.41 1.01 -1.18 -2.13 121.20 118.97 1nex s ILE 685 Ca -0.04 -0.91 0.02 0.00 0.00 0.00 0.00 60.65 59.73 1nex s ILE 685 Cb 0.05 -0.32 0.01 0.00 0.01 0.00 0.00 42.46 42.21 1nex s ILE 685 CO 0.37 -0.45 -0.12 -0.22 0.00 0.00 0.00 174.94 174.52 1nex s LEU 686 N -1.42 1.59 -0.07 2.97 2.96 -1.01 -1.14 118.68 122.56 1nex s LEU 686 Ca -0.14 -0.30 0.04 0.00 -0.22 0.00 0.00 54.13 53.51 1nex s LEU 686 Cb -0.10 -0.83 -0.00 0.00 0.50 0.00 0.00 46.19 45.76 1nex s LEU 686 CO -0.01 0.01 -0.20 -0.69 -1.32 0.00 0.00 176.35 174.15 1nex s VAL 687 N 0.80 1.68 0.05 1.68 1.01 -0.50 -0.88 120.40 124.24 1nex s VAL 687 Ca -0.12 -0.83 0.02 0.00 0.00 0.00 0.00 61.98 61.06 1nex s VAL 687 Cb -0.15 -1.45 -0.03 0.00 0.00 0.00 0.00 36.38 34.74 1nex s VAL 687 CO 0.02 0.48 -0.07 -0.94 0.00 0.00 0.00 175.10 174.58 1nex s SER 688 N 0.23 0.89 -0.12 3.32 1.04 -0.58 0.27 113.70 118.75 1nex s SER 688 Ca -0.11 -0.66 -0.11 0.00 0.48 0.00 0.00 55.95 55.55 1nex s SER 688 Cb -0.15 0.06 0.03 0.00 0.10 0.00 0.00 66.02 66.06 1nex s SER 688 CO 0.05 -0.28 0.32 -0.83 0.98 0.00 0.00 173.24 173.49 1nex s GLY 689 N -1.94 -0.24 0.18 7.32 0.00 0.17 -1.72 107.32 111.09 1nex s GLY 689 Ca -0.05 0.93 0.02 0.00 0.00 0.00 0.00 44.72 45.62 1nex s GLY 689 CO -0.01 0.82 0.20 -1.14 0.00 0.00 0.00 173.10 172.97 1nex n SER 690 N 2.99 -0.53 -4.68 1.64 3.41 -0.88 -0.54 113.62 115.03 1nex n SER 690 Ca -0.14 -2.08 -0.46 0.00 -0.26 0.00 0.00 58.87 55.93 1nex n SER 690 Cb 0.58 1.09 -0.04 0.00 -0.26 0.00 0.00 64.21 65.57 1nex n SER 690 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1nex n GLU 691 N -0.32 2.34 -1.82 4.33 2.13 -1.26 -1.63 120.64 124.41 1nex n GLU 691 Ca 0.02 0.85 -0.20 0.00 0.66 0.00 0.00 57.16 58.49 1nex n GLU 691 Cb 0.31 -2.69 -0.06 0.00 0.27 0.00 0.00 31.44 29.27 1nex n GLU 691 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1nex n ASN 692 N 5.47 -5.53 -3.78 4.31 5.03 -1.06 -4.93 115.26 114.77 1nex n ASN 692 Ca 0.20 0.35 -0.13 0.00 0.87 0.00 0.00 54.58 55.87 1nex n ASN 692 Cb 0.32 -4.74 -0.11 0.00 -1.02 0.00 0.00 39.78 34.23 1nex n ASN 692 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 1nex s GLN 693 N -4.09 0.32 -0.22 3.52 -0.21 -0.65 -5.00 119.66 113.34 1nex s GLN 693 Ca 0.00 0.35 -0.03 0.00 0.02 0.00 0.00 55.36 55.69 1nex s GLN 693 Cb 0.00 0.16 0.11 0.00 1.00 0.00 0.00 33.01 34.27 1nex s GLN 693 CO 0.00 -0.04 0.27 0.12 -2.12 0.00 0.00 175.29 173.52 1nex s PHE 694 N 0.09 -0.43 0.05 0.91 5.36 -1.26 -2.07 117.98 120.62 1nex s PHE 694 Ca -0.01 0.33 0.08 0.00 -0.96 0.00 0.00 56.93 56.38 1nex s PHE 694 Cb -0.02 -0.28 -0.03 0.00 -0.34 0.00 0.00 43.02 42.36 1nex s PHE 694 CO 0.00 -0.66 -0.23 -0.80 -1.46 0.00 0.00 175.22 172.07 1nex s ASN 695 N 2.39 2.74 -0.19 6.13 -0.87 -0.70 -4.40 114.94 120.04 1nex s ASN 695 Ca 0.09 -0.56 0.01 0.00 -1.57 0.00 0.00 52.86 50.83 1nex s ASN 695 Cb -0.15 -0.23 0.03 0.00 -0.02 0.00 0.00 41.25 40.87 1nex s ASN 695 CO -0.15 0.19 -0.17 -0.63 -2.57 0.00 0.00 177.10 173.77 1nex s ILE 696 N -0.83 1.98 -0.00 0.60 1.01 -0.35 -1.53 121.20 122.07 1nex s ILE 696 Ca 0.09 -1.02 0.03 0.00 0.00 0.00 0.00 60.65 59.75 1nex s ILE 696 Cb -0.09 -1.87 -0.03 0.00 0.01 0.00 0.00 42.46 40.48 1nex s ILE 696 CO 0.02 0.40 -0.08 -0.31 0.00 0.00 0.00 174.94 174.98 1nex s TYR 697 N 1.29 2.87 -0.52 3.97 2.02 -0.06 -0.10 117.35 126.82 1nex s TYR 697 Ca 0.02 -0.05 -0.23 0.00 -0.37 0.00 0.00 57.07 56.44 1nex s TYR 697 Cb -0.14 -1.61 0.04 0.00 -0.40 0.00 0.00 41.96 39.85 1nex s TYR 697 CO -0.11 0.35 0.86 1.21 -1.57 0.00 0.00 175.55 176.29 1nex s ASN 698 N -1.33 6.34 0.08 2.29 3.84 0.01 -2.40 114.94 123.77 1nex s ASN 698 Ca 0.16 -0.37 0.13 0.00 0.21 0.00 0.00 52.86 52.99 1nex s ASN 698 Cb -0.11 -2.40 0.57 0.00 -0.55 0.00 0.00 41.25 38.76 1nex s ASN 698 CO 0.07 -1.10 1.40 0.18 -2.79 0.00 0.00 177.10 174.85 1nex n LEU 699 N 7.09 0.18 -0.09 3.21 4.32 -0.91 -0.17 117.00 130.64 1nex n LEU 699 Ca 0.01 0.56 -0.19 0.00 -0.02 0.00 0.00 56.01 56.37 1nex n LEU 699 Cb 0.47 -0.55 -0.12 0.00 -1.62 0.00 0.00 43.42 41.60 1nex n LEU 699 CO 0.61 -0.45 -0.20 0.03 -1.22 0.00 0.00 177.39 176.15 1nex h ARG 700 N 0.00 0.00 0.00 3.23 3.08 -1.86 -3.36 114.38 115.47 1nex h ARG 700 Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 1nex h ARG 700 Cb 0.17 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.22 1nex h ARG 700 CO 0.00 0.99 -0.43 0.66 -1.07 0.00 0.00 179.97 180.12 1nex h SER 701 N -1.00 0.00 0.00 7.04 4.64 -1.95 -3.47 113.55 118.80 1nex h SER 701 Ca -0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.10 1nex h SER 701 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1nex h SER 701 CO -0.14 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.44 1nex n GLY 702 N 1.13 2.38 3.88 -0.77 0.00 0.77 -5.03 105.19 107.56 1nex n GLY 702 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 1nex n GLY 702 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nex s LYS 703 N -0.24 3.68 -0.20 1.61 1.02 -1.23 -4.74 119.74 119.64 1nex s LYS 703 Ca 0.00 0.57 -0.29 0.00 0.02 0.00 0.00 55.97 56.27 1nex s LYS 703 Cb 0.00 -2.24 0.01 0.00 -0.52 0.00 0.00 37.83 35.07 1nex s LYS 703 CO 0.00 -0.29 1.04 -1.17 -0.92 0.00 0.00 175.35 174.00 1nex s LEU 704 N -4.56 4.13 -0.13 3.17 2.96 -1.26 -0.81 118.68 122.17 1nex s LEU 704 Ca 0.53 1.42 -0.07 0.00 -0.22 0.00 0.00 54.13 55.79 1nex s LEU 704 Cb -0.10 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 43.01 1nex s LEU 704 CO 0.42 -0.63 -0.08 0.58 -1.32 0.00 0.00 176.35 175.32 1nex h VAL 705 N 5.38 0.06 -4.16 1.68 2.07 -0.85 -3.48 116.25 116.96 1nex h VAL 705 Ca -0.21 -1.06 -0.61 0.00 0.82 0.00 0.00 66.70 65.64 1nex h VAL 705 Cb 1.08 0.13 -0.31 0.00 -1.52 0.00 0.00 31.29 30.67 1nex h VAL 705 CO 0.96 0.02 -0.86 -1.00 0.02 0.00 0.00 177.57 176.71 1nex s HIS 706 N -1.99 1.94 0.00 1.57 3.76 -1.07 -4.69 115.29 114.82 1nex s HIS 706 Ca -0.10 -0.48 0.00 0.00 -0.15 0.00 0.00 55.06 54.33 1nex s HIS 706 Cb 0.01 -1.27 0.00 0.00 1.11 0.00 0.00 32.58 32.43 1nex s HIS 706 CO 0.16 -0.12 0.00 0.00 -0.85 0.00 0.00 174.74 173.93 1nex n ALA 707 N 2.85 1.10 -0.88 -1.40 0.00 -1.26 -1.21 120.51 119.71 1nex n ALA 707 Ca -0.17 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.36 1nex n ALA 707 Cb 0.53 0.00 0.12 0.00 0.00 0.00 0.00 19.45 20.10 1nex n ALA 707 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1nex n ASN 708 N -0.56 2.39 -0.20 0.00 4.13 -1.26 -4.49 115.26 115.26 1nex n ASN 708 Ca 0.00 -2.89 -0.04 0.00 1.68 0.00 0.00 54.58 53.32 1nex n ASN 708 Cb 0.00 -0.36 0.13 0.00 -1.54 0.00 0.00 39.78 38.00 1nex n ASN 708 CO 0.00 0.00 0.00 0.40 0.28 0.00 0.00 177.26 177.94 1nex h ILE 709 N 0.13 1.24 -0.88 2.41 2.04 -1.89 -3.09 117.51 117.47 1nex h ILE 709 Ca 0.00 -0.84 -0.54 0.00 1.00 0.00 0.00 64.86 64.48 1nex h ILE 709 Cb 0.94 0.53 -0.43 0.00 -0.74 0.00 0.00 36.82 37.12 1nex h ILE 709 CO 0.01 0.33 -0.83 0.18 0.00 0.00 0.00 178.15 177.84 1nex n LEU 710 N -4.27 4.63 0.12 1.44 4.32 -1.26 -4.85 117.00 117.13 1nex n LEU 710 Ca 0.05 -4.72 0.12 0.00 -0.02 0.00 0.00 56.01 51.45 1nex n LEU 710 Cb 0.22 -0.30 0.63 0.00 -1.62 0.00 0.00 43.42 42.35 1nex n LEU 710 CO 0.41 2.06 1.13 0.07 -1.22 0.00 0.00 177.39 179.83 1nex h LYS 711 N 2.29 0.07 -0.02 3.23 2.10 -1.84 -1.61 116.57 120.80 1nex h LYS 711 Ca 0.32 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.96 1nex h LYS 711 Cb 1.40 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 32.71 1nex h LYS 711 CO 0.74 0.05 0.00 -0.40 -2.00 0.00 0.00 179.45 177.84 1nex n ASP 712 N -4.47 0.24 -4.79 7.07 5.75 -1.26 -4.82 116.55 114.26 1nex n ASP 712 Ca 0.03 -1.40 -0.37 0.00 -0.01 0.00 0.00 54.79 53.03 1nex n ASP 712 Cb 0.29 -0.01 -0.06 0.00 -1.03 0.00 0.00 41.12 40.31 1nex n ASP 712 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1nex s ALA 713 N -1.97 3.38 -0.12 2.12 0.00 -0.61 -4.77 121.76 119.80 1nex s ALA 713 Ca 0.31 0.30 0.17 0.00 0.00 0.00 0.00 51.96 52.74 1nex s ALA 713 Cb 0.15 -2.94 -0.22 0.00 0.00 0.00 0.00 23.12 20.11 1nex s ALA 713 CO 0.24 0.29 0.50 -0.25 0.00 0.00 0.00 175.76 176.54 1nex n ASP 714 N 0.99 0.50 -3.77 0.00 8.00 0.40 -4.27 116.55 118.40 1nex n ASP 714 Ca -0.03 0.23 -0.13 0.00 0.71 0.00 0.00 54.79 55.57 1nex n ASP 714 Cb 0.50 0.55 -0.11 0.00 -0.02 0.00 0.00 41.12 42.04 1nex n ASP 714 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1nex s GLN 715 N -2.75 0.33 -0.56 -1.24 -1.52 -1.04 -2.55 119.66 110.33 1nex s GLN 715 Ca -0.06 0.40 -0.06 0.00 -1.95 0.00 0.00 55.36 53.69 1nex s GLN 715 Cb 0.08 0.15 0.15 0.00 -0.22 0.00 0.00 33.01 33.17 1nex s GLN 715 CO 0.83 -0.04 0.40 0.42 -0.25 0.00 0.00 175.29 176.65 1nex s ILE 716 N 0.18 3.93 0.02 1.08 -1.09 -1.26 -0.89 121.20 123.17 1nex s ILE 716 Ca -0.00 -2.43 -0.26 0.00 -2.23 0.00 0.00 60.65 55.73 1nex s ILE 716 Cb -0.02 -3.58 -0.17 0.00 -1.58 0.00 0.00 42.46 37.11 1nex s ILE 716 CO 0.00 -0.83 1.33 -0.50 -1.23 0.00 0.00 174.94 173.71 1nex h TRP 717 N 7.67 -0.38 -3.38 3.97 -0.00 -1.44 -3.38 115.95 119.01 1nex h TRP 717 Ca -0.07 -0.01 -0.23 0.00 -0.00 0.00 0.00 58.89 58.58 1nex h TRP 717 Cb 1.01 0.13 -0.29 0.00 -0.00 0.00 0.00 29.16 30.00 1nex h TRP 717 CO 0.69 -0.08 -0.60 0.45 -0.00 0.00 0.00 178.44 178.90 1nex s SER 718 N -5.04 -0.10 0.02 -3.49 0.15 -1.11 -4.53 113.70 99.61 1nex s SER 718 Ca -0.15 0.24 0.06 0.00 0.70 0.00 0.00 55.95 56.81 1nex s SER 718 Cb 0.03 0.19 -0.02 0.00 -1.71 0.00 0.00 66.02 64.50 1nex s SER 718 CO 0.57 -0.09 -0.18 0.54 1.20 0.00 0.00 173.24 175.28 1nex s VAL 719 N 0.59 1.45 -0.22 4.45 0.11 -1.26 -0.40 120.40 125.12 1nex s VAL 719 Ca -0.04 -0.97 -0.17 0.00 -2.93 0.00 0.00 61.98 57.87 1nex s VAL 719 Cb -0.06 -1.25 0.06 0.00 -1.53 0.00 0.00 36.38 33.61 1nex s VAL 719 CO -0.03 0.25 0.57 0.21 -3.33 0.00 0.00 175.10 172.78 1nex s ASN 720 N -0.84 -0.68 0.03 3.54 3.84 -0.19 -4.58 114.94 116.06 1nex s ASN 720 Ca 0.06 1.20 -0.01 0.00 0.21 0.00 0.00 52.86 54.33 1nex s ASN 720 Cb -0.08 1.15 -0.02 0.00 -0.55 0.00 0.00 41.25 41.75 1nex s ASN 720 CO 0.01 -0.21 -0.02 0.72 -2.79 0.00 0.00 177.10 174.80 1nex s PHE 721 N 0.90 0.32 -0.23 0.43 -0.12 -1.26 -0.11 117.98 117.91 1nex s PHE 721 Ca -0.05 -0.67 -0.09 0.00 -0.05 0.00 0.00 56.93 56.08 1nex s PHE 721 Cb -0.05 -0.24 0.10 0.00 -0.63 0.00 0.00 43.02 42.19 1nex s PHE 721 CO -0.08 -0.25 0.50 0.21 -0.05 0.00 0.00 175.22 175.55 1nex s LYS 722 N -2.17 0.42 7.23 1.99 2.36 0.17 -4.99 119.74 124.76 1nex s LYS 722 Ca -0.09 1.12 0.00 0.00 -2.55 0.00 0.00 55.97 54.45 1nex s LYS 722 Cb -0.05 0.41 0.00 0.00 -1.05 0.00 0.00 37.83 37.14 1nex s LYS 722 CO -0.04 -0.22 0.00 0.41 1.55 0.00 0.00 175.35 177.06 1nex n GLY 723 N 5.17 3.05 0.36 5.54 0.00 -1.26 -1.08 105.19 116.97 1nex n GLY 723 Ca -0.12 0.16 0.12 0.00 0.00 0.00 0.00 46.02 46.18 1nex n GLY 723 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1nex n LYS 724 N 8.46 0.96 -4.18 1.61 -0.00 -1.26 -4.91 118.16 118.83 1nex n LYS 724 Ca 0.00 -0.72 -0.34 0.00 -0.00 0.00 0.00 58.31 57.25 1nex n LYS 724 Cb 0.00 -1.49 -0.11 0.00 -0.00 0.00 0.00 35.03 33.43 1nex n LYS 724 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 1nex s THR 725 N -2.53 4.29 -0.08 0.58 2.01 -0.24 0.29 115.64 119.96 1nex s THR 725 Ca 0.20 -0.21 0.02 0.00 0.31 0.00 0.00 61.69 62.00 1nex s THR 725 Cb 0.18 -2.91 0.02 0.00 0.01 0.00 0.00 72.50 69.80 1nex s THR 725 CO 0.57 0.47 -0.11 -0.22 -0.69 0.00 0.00 174.62 174.64 1nex s LEU 726 N 0.48 1.53 0.06 4.42 2.96 0.29 0.43 118.68 128.85 1nex s LEU 726 Ca -0.00 -0.30 0.07 0.00 -0.22 0.00 0.00 54.13 53.67 1nex s LEU 726 Cb -0.13 -0.84 -0.03 0.00 0.50 0.00 0.00 46.19 45.69 1nex s LEU 726 CO 0.02 -0.01 -0.19 0.68 -1.32 0.00 0.00 176.35 175.53 1nex s VAL 727 N 0.95 1.56 -0.12 1.68 -7.23 0.84 0.15 120.40 118.23 1nex s VAL 727 Ca -0.09 -1.27 -0.06 0.00 -1.81 0.00 0.00 61.98 58.75 1nex s VAL 727 Cb -0.15 -1.39 0.05 0.00 0.56 0.00 0.00 36.38 35.45 1nex s VAL 727 CO 0.00 0.07 0.28 0.00 -0.31 0.00 0.00 175.10 175.14 1nex s ALA 728 N -0.94 -0.65 -0.11 1.32 0.00 0.10 -1.03 121.76 120.45 1nex s ALA 728 Ca 0.06 1.10 -0.25 0.00 0.00 0.00 0.00 51.96 52.86 1nex s ALA 728 Cb -0.09 -0.73 -0.02 0.00 0.00 0.00 0.00 23.12 22.28 1nex s ALA 728 CO 0.02 -0.25 0.81 0.00 0.00 0.00 0.00 175.76 176.34 1nex s ALA 729 N 1.40 3.41 0.40 0.00 0.00 0.47 -0.45 121.76 126.97 1nex s ALA 729 Ca -0.08 0.14 0.05 0.00 0.00 0.00 0.00 51.96 52.07 1nex s ALA 729 Cb -0.10 -3.16 -0.02 0.00 0.00 0.00 0.00 23.12 19.84 1nex s ALA 729 CO -0.09 -0.42 0.19 0.14 0.00 0.00 0.00 175.76 175.58 1nex s VAL 730 N 1.56 0.35 -0.07 0.00 -7.23 -0.41 -1.07 120.40 113.52 1nex s VAL 730 Ca 0.40 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.56 1nex s VAL 730 Cb -0.18 -2.35 0.03 0.00 0.56 0.00 0.00 36.38 34.44 1nex s VAL 730 CO 0.16 0.00 -0.01 -0.70 -0.31 0.00 0.00 175.10 174.25 1nex s GLU 731 N -3.58 0.69 -0.11 4.82 2.12 -0.07 -1.58 118.70 120.98 1nex s GLU 731 Ca 0.28 0.07 -0.00 0.00 0.36 0.00 0.00 54.97 55.68 1nex s GLU 731 Cb 0.02 -1.00 0.02 0.00 0.26 0.00 0.00 34.13 33.43 1nex s GLU 731 CO 0.19 -0.29 -0.09 0.15 -0.54 0.00 0.00 175.26 174.69 1nex s LYS 732 N 1.88 1.61 -1.15 4.30 1.02 0.13 0.15 119.74 127.69 1nex s LYS 732 Ca 0.04 -0.29 -0.18 0.00 0.02 0.00 0.00 55.97 55.56 1nex s LYS 732 Cb -0.12 -1.62 -0.02 0.00 -0.52 0.00 0.00 37.83 35.55 1nex s LYS 732 CO -0.05 -0.24 0.79 -0.25 -0.92 0.00 0.00 175.35 174.68 1nex n ASP 733 N 4.84 -5.09 -1.40 2.83 10.43 -1.26 -2.02 116.55 124.87 1nex n ASP 733 Ca -0.14 -0.97 -0.16 0.00 2.57 0.00 0.00 54.79 56.08 1nex n ASP 733 Cb 0.50 -3.60 -0.05 0.00 1.84 0.00 0.00 41.12 39.81 1nex n ASP 733 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1nex n GLY 734 N -1.64 1.17 3.08 0.44 0.00 -1.26 -4.99 105.19 101.99 1nex n GLY 734 Ca -0.11 -0.23 -0.11 0.00 0.00 0.00 0.00 46.02 45.57 1nex n GLY 734 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1nex s GLN 735 N -3.73 0.41 0.17 1.61 -0.21 -0.86 -4.53 119.66 112.52 1nex s GLN 735 Ca 0.00 -0.32 -0.05 0.00 0.02 0.00 0.00 55.36 55.01 1nex s GLN 735 Cb 0.00 0.17 -0.06 0.00 1.00 0.00 0.00 33.01 34.12 1nex s GLN 735 CO 0.00 -0.09 0.41 -1.54 -2.12 0.00 0.00 175.29 171.95 1nex s SER 736 N -1.13 6.50 0.14 5.90 1.04 -1.25 0.22 113.70 125.12 1nex s SER 736 Ca -0.12 0.63 -0.08 0.00 0.48 0.00 0.00 55.95 56.86 1nex s SER 736 Cb -0.07 -2.11 -0.01 0.00 0.10 0.00 0.00 66.02 63.94 1nex s SER 736 CO 0.01 0.02 0.24 -0.36 0.98 0.00 0.00 173.24 174.13 1nex s PHE 737 N -1.71 0.38 -0.18 5.02 0.08 -0.61 -2.80 117.98 118.15 1nex s PHE 737 Ca 0.42 -0.76 -0.03 0.00 0.12 0.00 0.00 56.93 56.68 1nex s PHE 737 Cb -0.12 -0.09 -0.02 0.00 -0.57 0.00 0.00 43.02 42.22 1nex s PHE 737 CO 0.25 -0.66 -0.05 -1.17 -0.10 0.00 0.00 175.22 173.48 1nex s LEU 738 N -2.95 3.03 -0.19 -0.37 2.96 0.38 -1.29 118.68 120.24 1nex s LEU 738 Ca 0.15 -0.26 -0.05 0.00 -0.22 0.00 0.00 54.13 53.75 1nex s LEU 738 Cb 0.04 -1.74 -0.03 0.00 0.50 0.00 0.00 46.19 44.96 1nex s LEU 738 CO -0.03 0.09 -0.00 -1.61 -1.32 0.00 0.00 176.35 173.48 1nex s GLU 739 N 0.81 3.64 -0.22 1.98 0.41 0.40 -0.51 118.70 125.21 1nex s GLU 739 Ca -0.02 -0.51 0.01 0.00 -0.41 0.00 0.00 54.97 54.04 1nex s GLU 739 Cb -0.15 -3.06 0.03 0.00 -1.78 0.00 0.00 34.13 29.18 1nex s GLU 739 CO 0.02 0.06 -0.14 0.42 -0.49 0.00 0.00 175.26 175.13 1nex s ILE 740 N 0.88 2.35 -0.16 -1.63 1.01 -0.21 -0.72 121.20 122.70 1nex s ILE 740 Ca 0.01 -1.11 -0.05 0.00 0.00 0.00 0.00 60.65 59.49 1nex s ILE 740 Cb -0.14 -2.14 -0.03 0.00 0.01 0.00 0.00 42.46 40.15 1nex s ILE 740 CO 0.02 0.31 0.01 -0.76 0.00 0.00 0.00 174.94 174.52 1nex s LEU 741 N 1.26 3.54 -0.16 2.97 1.43 0.39 -2.11 118.68 125.99 1nex s LEU 741 Ca 0.00 -0.01 -0.01 0.00 -1.03 0.00 0.00 54.13 53.08 1nex s LEU 741 Cb -0.16 -1.87 -0.01 0.00 0.03 0.00 0.00 46.19 44.18 1nex s LEU 741 CO -0.08 0.19 -0.11 -0.62 0.23 0.00 0.00 176.35 175.96 1nex s ASP 742 N 0.26 4.04 -0.11 2.29 -1.08 -0.46 -0.55 116.67 121.05 1nex s ASP 742 Ca 0.00 -0.37 0.18 0.00 -0.52 0.00 0.00 52.55 51.84 1nex s ASP 742 Cb -0.13 -1.64 0.70 0.00 -1.46 0.00 0.00 42.92 40.38 1nex s ASP 742 CO 0.02 0.09 1.61 0.49 0.52 0.00 0.00 175.17 177.90 1nex n PHE 743 N 4.02 1.41 0.24 -5.34 3.01 0.14 -1.76 117.46 119.18 1nex n PHE 743 Ca -0.18 -0.62 0.02 0.00 1.01 0.00 0.00 57.45 57.68 1nex n PHE 743 Cb 0.52 -0.23 0.11 0.00 -0.01 0.00 0.00 39.48 39.87 1nex n PHE 743 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20