#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3pcj s ALA 302 N 0.00 2.72 0.07 0.55 0.00 -1.26 -5.07 121.76 118.76 3pcj s ALA 302 Ca 0.00 0.65 0.05 0.00 0.00 0.00 0.00 51.96 52.66 3pcj s ALA 302 Cb 0.00 -3.30 -0.03 0.00 0.00 0.00 0.00 23.12 19.79 3pcj s ALA 302 CO 0.00 -0.72 -0.14 -0.65 0.00 0.00 0.00 175.76 174.25 3pcj s GLN 303 N -3.52 0.81 -0.90 0.00 -0.21 -1.26 -5.09 119.66 109.49 3pcj s GLN 303 Ca 0.69 -0.94 -0.23 0.00 0.02 0.00 0.00 55.36 54.90 3pcj s GLN 303 Cb -0.20 -0.81 0.07 0.00 1.00 0.00 0.00 33.01 33.07 3pcj s GLN 303 CO 0.29 0.18 1.29 0.34 -2.12 0.00 0.00 175.29 175.26 3pcj s ASP 304 N -1.70 6.42 0.00 5.90 2.15 -1.26 -4.66 116.67 123.52 3pcj s ASP 304 Ca -0.02 -1.31 0.00 0.00 0.43 0.00 0.00 52.55 51.64 3pcj s ASP 304 Cb -0.10 -2.51 0.00 0.00 -0.30 0.00 0.00 42.92 40.01 3pcj s ASP 304 CO 0.02 -1.48 0.14 -0.46 -0.17 0.00 0.00 175.17 173.22 3pcj n ASN 305 N 8.35 0.27 -4.45 -0.34 0.23 -1.26 -5.02 115.26 113.05 3pcj n ASN 305 Ca 0.20 -0.62 -0.22 0.00 -0.53 0.00 0.00 54.58 53.41 3pcj n ASN 305 Cb 0.50 0.33 -0.10 0.00 -2.08 0.00 0.00 39.78 38.42 3pcj n ASN 305 CO 0.00 0.00 0.00 -0.44 -0.93 0.00 0.00 177.26 175.89 3pcj s SER 306 N -0.33 3.14 -0.01 0.53 0.01 -1.26 -3.08 113.70 112.71 3pcj s SER 306 Ca 0.00 -1.12 0.03 0.00 1.31 0.00 0.00 55.95 56.17 3pcj s SER 306 Cb 0.00 -0.23 -0.01 0.00 0.21 0.00 0.00 66.02 65.99 3pcj s SER 306 CO 0.00 -0.18 -0.09 -0.13 0.41 0.00 0.00 173.24 173.25 3pcj s ARG 307 N -3.63 0.73 -0.09 12.44 1.81 -0.15 -4.83 118.95 125.23 3pcj s ARG 307 Ca 0.29 -0.32 -0.01 0.00 -1.72 0.00 0.00 55.73 53.96 3pcj s ARG 307 Cb 0.00 -0.71 -0.03 0.00 -0.45 0.00 0.00 34.95 33.76 3pcj s ARG 307 CO 0.13 0.19 -0.03 -0.06 -0.68 0.00 0.00 175.30 174.85 3pcj s PHE 308 N -0.20 3.05 0.35 -0.53 0.08 -1.26 -0.91 117.98 118.57 3pcj s PHE 308 Ca 0.03 0.04 -0.28 0.00 0.12 0.00 0.00 56.93 56.84 3pcj s PHE 308 Cb -0.04 -1.79 -0.12 0.00 -0.57 0.00 0.00 43.02 40.51 3pcj s PHE 308 CO -0.00 0.32 1.45 0.28 -0.10 0.00 0.00 175.22 177.17 3pcj n VAL 309 N 2.44 1.85 -1.80 -0.44 0.31 -0.22 -4.89 118.33 115.58 3pcj n VAL 309 Ca -0.18 -0.46 -0.41 0.00 -0.01 0.00 0.00 64.34 63.28 3pcj n VAL 309 Cb 0.53 -1.86 -0.00 0.00 -0.91 0.00 0.00 33.84 31.60 3pcj n VAL 309 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 3pcj s ILE 310 N -0.95 2.05 0.39 2.52 -1.09 -1.26 -4.74 121.20 118.13 3pcj s ILE 310 Ca 0.55 0.05 -0.26 0.00 -2.23 0.00 0.00 60.65 58.76 3pcj s ILE 310 Cb -0.51 -3.03 -0.09 0.00 -1.58 0.00 0.00 42.46 37.25 3pcj s ILE 310 CO 0.61 0.01 1.27 -0.13 -1.23 0.00 0.00 174.94 175.47 3pcj s ARG 311 N -1.70 4.08 -0.68 2.79 0.52 -1.26 -4.97 118.95 117.73 3pcj s ARG 311 Ca 0.55 2.08 -0.19 0.00 -0.52 0.00 0.00 55.73 57.65 3pcj s ARG 311 Cb -0.47 -2.81 0.11 0.00 0.52 0.00 0.00 34.95 32.30 3pcj s ARG 311 CO 0.59 -0.38 0.84 0.34 0.02 0.00 0.00 175.30 176.71 3pcj s ASP 312 N -0.79 6.29 0.00 0.23 -1.08 -1.26 -4.90 116.67 115.16 3pcj s ASP 312 Ca 0.55 -1.52 0.12 0.00 -0.52 0.00 0.00 52.55 51.19 3pcj s ASP 312 Cb -0.37 -2.34 0.74 0.00 -1.46 0.00 0.00 42.92 39.50 3pcj s ASP 312 CO 0.47 -1.15 1.29 0.54 0.52 0.00 0.00 175.17 176.85 3pcj n ARG 313 N 6.52 0.75 0.00 4.34 1.74 -1.26 -1.72 116.66 127.03 3pcj n ARG 313 Ca -0.01 0.00 0.09 0.00 -0.77 0.00 0.00 57.85 57.15 3pcj n ARG 313 Cb 0.44 -1.26 -0.09 0.00 -1.02 0.00 0.00 32.46 30.53 3pcj n ARG 313 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3pcj n ASN 314 N -0.76 0.95 -0.04 0.55 3.02 -1.26 -4.26 115.26 113.46 3pcj n ASN 314 Ca 0.09 -0.98 -0.22 0.00 -0.03 0.00 0.00 54.58 53.45 3pcj n ASN 314 Cb 0.04 0.94 -0.13 0.00 -0.61 0.00 0.00 39.78 40.03 3pcj n ASN 314 CO 0.00 0.00 0.00 1.87 -2.62 0.00 0.00 177.26 176.51 3pcj n TRP 315 N -1.28 1.16 -1.94 3.10 -0.00 -0.70 -4.68 117.44 113.10 3pcj n TRP 315 Ca 0.04 0.33 -0.31 0.00 -0.00 0.00 0.00 57.50 57.56 3pcj n TRP 315 Cb 0.29 -1.14 0.01 0.00 -0.00 0.00 0.00 31.31 30.47 3pcj n TRP 315 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 177.69 176.68 3pcj s HIS 316 N -2.48 3.40 0.46 5.87 3.76 -1.02 -4.78 115.29 120.51 3pcj s HIS 316 Ca -0.25 1.38 -0.24 0.00 -0.15 0.00 0.00 55.06 55.81 3pcj s HIS 316 Cb 0.06 -2.80 -0.07 0.00 1.11 0.00 0.00 32.58 30.88 3pcj s HIS 316 CO 0.70 -0.78 1.28 -1.25 -0.85 0.00 0.00 174.74 173.83 3pcj s PRO 317 N -4.77 3.65 0.83 8.40 0.04 -1.26 -4.81 135.00 137.08 3pcj s PRO 317 Ca 0.57 2.06 -0.12 0.00 0.04 0.00 0.00 61.00 63.56 3pcj s PRO 317 Cb -0.12 -2.49 0.09 0.00 0.04 0.00 0.00 34.50 32.01 3pcj s PRO 317 CO 0.47 -0.72 1.11 0.15 0.04 0.00 0.00 177.00 178.05 3pcj s LYS 318 N -2.59 1.84 0.03 4.56 -0.14 -1.25 -4.99 119.74 117.21 3pcj s LYS 318 Ca 0.63 0.56 -0.24 0.00 -1.36 0.00 0.00 55.97 55.56 3pcj s LYS 318 Cb -0.36 -1.90 -0.18 0.00 -1.68 0.00 0.00 37.83 33.72 3pcj s LYS 318 CO 0.44 -1.77 1.48 0.00 -0.76 0.00 0.00 175.35 174.75 3pcj h ALA 319 N -1.19 0.01 -2.27 5.17 0.00 -1.95 -3.40 119.26 115.63 3pcj h ALA 319 Ca -0.48 -0.14 -0.72 0.00 0.00 0.00 0.00 54.91 53.58 3pcj h ALA 319 Cb 1.28 -0.00 -0.21 0.00 0.00 0.00 0.00 17.79 18.86 3pcj h ALA 319 CO 0.60 -0.35 -0.21 -1.17 0.00 0.00 0.00 179.25 178.11 3pcj s LEU 320 N -9.66 5.30 -0.43 0.00 2.96 -1.26 -4.74 118.68 110.85 3pcj s LEU 320 Ca -0.15 -1.10 0.02 0.00 -0.22 0.00 0.00 54.13 52.69 3pcj s LEU 320 Cb 0.04 -2.28 0.14 0.00 0.50 0.00 0.00 46.19 44.59 3pcj s LEU 320 CO 0.67 -0.69 0.26 0.42 -1.32 0.00 0.00 176.35 175.69 3pcj s THR 321 N 1.99 1.01 0.56 3.68 -4.23 -1.26 -5.03 115.64 112.36 3pcj s THR 321 Ca 0.08 -2.45 0.30 0.00 -1.18 0.00 0.00 61.69 58.44 3pcj s THR 321 Cb -0.22 -1.71 0.44 0.00 1.34 0.00 0.00 72.50 72.36 3pcj s THR 321 CO 0.09 -0.98 1.87 -0.65 -0.54 0.00 0.00 174.62 174.42 3pcj h PRO 322 N 6.57 0.00 0.00 3.99 0.11 -1.93 -1.06 132.00 139.68 3pcj h PRO 322 Ca 0.06 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.11 3pcj h PRO 322 Cb 0.92 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.03 3pcj h PRO 322 CO 0.42 0.00 -0.29 -0.44 -0.21 0.00 0.00 178.00 177.48 3pcj h ASP 323 N 0.00 0.00 -2.95 -2.05 3.32 -1.96 -3.23 116.42 109.55 3pcj h ASP 323 Ca 0.34 0.00 -0.72 0.00 0.02 0.00 0.00 57.03 56.67 3pcj h ASP 323 Cb 1.55 0.00 -0.21 0.00 0.22 0.00 0.00 39.33 40.89 3pcj h ASP 323 CO -0.00 0.29 0.50 -0.47 -1.72 0.00 0.00 179.24 177.84 3pcj s TYR 324 N -3.96 3.32 0.32 4.55 5.04 -0.40 -4.84 117.35 121.38 3pcj s TYR 324 Ca -0.02 -1.54 0.07 0.00 -2.44 0.00 0.00 57.07 53.14 3pcj s TYR 324 Cb 0.13 -4.10 0.89 0.00 0.35 0.00 0.00 41.96 39.23 3pcj s TYR 324 CO 0.67 -1.30 1.62 0.87 -1.34 0.00 0.00 175.55 176.06 3pcj h LYS 325 N 8.52 0.13 0.00 4.97 1.57 -1.77 -2.42 116.57 127.56 3pcj h LYS 325 Ca 0.09 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 3pcj h LYS 325 Cb 1.04 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.32 3pcj h LYS 325 CO 0.98 0.08 0.00 1.15 -0.57 0.00 0.00 179.45 181.10 3pcj h THR 326 N 0.13 0.00 0.00 -0.16 2.02 -1.91 -2.70 112.91 110.29 3pcj h THR 326 Ca 0.64 -0.35 0.00 0.00 0.77 0.00 0.00 66.41 67.47 3pcj h THR 326 Cb 1.43 1.28 0.00 0.00 -1.74 0.00 0.00 68.15 69.12 3pcj h THR 326 CO -0.74 0.00 0.00 -1.54 0.37 0.00 0.00 175.52 173.61 3pcj n SER 327 N -2.90 0.80 0.08 4.18 3.41 -0.91 -3.13 113.62 115.14 3pcj n SER 327 Ca 0.00 0.58 -0.13 0.00 -0.26 0.00 0.00 58.87 59.06 3pcj n SER 327 Cb 0.24 -0.79 -0.08 0.00 -0.26 0.00 0.00 64.21 63.32 3pcj n SER 327 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 3pcj h ILE 328 N 0.00 0.97 -0.00 -1.33 2.04 -1.63 -3.06 117.51 114.49 3pcj h ILE 328 Ca 0.00 -0.33 0.00 0.00 1.00 0.00 0.00 64.86 65.53 3pcj h ILE 328 Cb 0.71 1.17 0.00 0.00 -0.74 0.00 0.00 36.82 37.96 3pcj h ILE 328 CO 0.00 0.08 -0.28 0.00 0.00 0.00 0.00 178.15 177.95 3pcj n ALA 329 N -2.24 3.10 -1.44 1.87 0.00 -1.25 -3.97 120.51 116.58 3pcj n ALA 329 Ca -0.08 -0.33 -0.03 0.00 0.00 0.00 0.00 53.44 53.00 3pcj n ALA 329 Cb 0.15 -1.20 0.20 0.00 0.00 0.00 0.00 19.45 18.60 3pcj n ALA 329 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3pcj n ARG 330 N -1.08 1.86 -5.04 0.00 1.74 -1.18 -4.96 116.66 108.00 3pcj n ARG 330 Ca 0.10 -3.18 -0.28 0.00 -0.77 0.00 0.00 57.85 53.72 3pcj n ARG 330 Cb 0.33 -1.80 -0.16 0.00 -1.02 0.00 0.00 32.46 29.80 3pcj n ARG 330 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3pcj s SER 331 N -2.56 2.56 0.46 0.55 1.04 -1.16 -4.95 113.70 109.63 3pcj s SER 331 Ca 0.44 -0.42 -0.24 0.00 0.48 0.00 0.00 55.95 56.22 3pcj s SER 331 Cb 0.40 -0.60 -0.07 0.00 0.10 0.00 0.00 66.02 65.85 3pcj s SER 331 CO -0.00 0.21 1.24 -2.84 0.98 0.00 0.00 173.24 172.83 3pcj s PRO 332 N -0.17 3.70 -0.06 4.02 0.02 -1.26 -4.95 135.00 136.31 3pcj s PRO 332 Ca -0.01 1.98 0.20 0.00 0.02 0.00 0.00 61.00 63.19 3pcj s PRO 332 Cb -0.11 -2.49 -0.28 0.00 0.02 0.00 0.00 34.50 31.64 3pcj s PRO 332 CO 0.02 -0.65 0.42 0.54 -0.33 0.00 0.00 177.00 176.99 3pcj n ARG 333 N -0.40 0.66 -3.01 5.54 5.12 -1.26 -4.94 116.66 118.38 3pcj n ARG 333 Ca 0.07 -0.09 -0.32 0.00 -1.93 0.00 0.00 57.85 55.58 3pcj n ARG 333 Cb 0.46 -1.56 -0.06 0.00 -1.16 0.00 0.00 32.46 30.14 3pcj n ARG 333 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 3pcj s GLN 334 N -3.15 3.99 0.63 5.56 -1.52 -1.26 -5.04 119.66 118.86 3pcj s GLN 334 Ca -0.08 0.71 -0.16 0.00 -1.95 0.00 0.00 55.36 53.88 3pcj s GLN 334 Cb 0.11 -2.37 -0.01 0.00 -0.22 0.00 0.00 33.01 30.51 3pcj s GLN 334 CO 0.87 0.07 1.11 0.00 -0.25 0.00 0.00 175.29 177.09 3pcj s ALA 335 N -2.12 2.54 0.59 6.09 0.00 -1.26 -4.99 121.76 122.61 3pcj s ALA 335 Ca 0.55 0.59 -0.17 0.00 0.00 0.00 0.00 51.96 52.92 3pcj s ALA 335 Cb -0.10 -3.32 -0.03 0.00 0.00 0.00 0.00 23.12 19.67 3pcj s ALA 335 CO 0.20 -1.13 1.10 -0.51 0.00 0.00 0.00 175.76 175.42 3pcj s LEU 336 N -4.62 3.57 -0.28 0.00 1.43 -1.26 -5.00 118.68 112.51 3pcj s LEU 336 Ca 0.68 2.02 -0.12 0.00 -1.03 0.00 0.00 54.13 55.68 3pcj s LEU 336 Cb -0.21 -4.56 -0.05 0.00 0.03 0.00 0.00 46.19 41.41 3pcj s LEU 336 CO 0.38 -1.32 0.22 -0.69 0.23 0.00 0.00 176.35 175.17 3pcj s VAL 337 N -2.14 5.29 0.15 -1.59 1.01 -1.26 -5.07 120.40 116.79 3pcj s VAL 337 Ca 0.68 0.21 -0.30 0.00 0.00 0.00 0.00 61.98 62.57 3pcj s VAL 337 Cb -0.20 -3.57 -0.07 0.00 0.00 0.00 0.00 36.38 32.54 3pcj s VAL 337 CO 0.34 0.22 1.07 -0.44 0.00 0.00 0.00 175.10 176.28 3pcj s SER 338 N 1.74 7.32 0.05 3.32 0.01 -1.26 -5.05 113.70 119.83 3pcj s SER 338 Ca 0.08 1.99 0.03 0.00 1.31 0.00 0.00 55.95 59.37 3pcj s SER 338 Cb -0.16 -2.60 -0.02 0.00 0.21 0.00 0.00 66.02 63.45 3pcj s SER 338 CO 0.11 -0.20 -0.10 0.27 0.41 0.00 0.00 173.24 173.73 3pcj s ILE 339 N -0.06 0.77 0.48 1.44 -4.36 -1.26 -5.13 121.20 113.08 3pcj s ILE 339 Ca 0.49 -1.06 -0.22 0.00 -0.26 0.00 0.00 60.65 59.61 3pcj s ILE 339 Cb -0.28 -0.77 -0.07 0.00 1.25 0.00 0.00 42.46 42.59 3pcj s ILE 339 CO 0.33 -0.24 1.15 -2.16 0.24 0.00 0.00 174.94 174.26 3pcj s PRO 340 N -1.43 3.64 0.32 0.37 0.04 -1.26 -4.98 135.00 131.70 3pcj s PRO 340 Ca -0.05 1.72 -0.28 0.00 0.04 0.00 0.00 61.00 62.42 3pcj s PRO 340 Cb -0.09 -2.29 -0.10 0.00 0.04 0.00 0.00 34.50 32.07 3pcj s PRO 340 CO 0.01 -0.63 1.16 -0.65 0.04 0.00 0.00 177.00 176.93 3pcj s GLN 341 N -2.88 4.46 0.34 4.56 -0.21 -1.26 -5.02 119.66 119.65 3pcj s GLN 341 Ca 0.66 1.90 0.07 0.00 0.02 0.00 0.00 55.36 58.02 3pcj s GLN 341 Cb -0.27 -3.05 -0.03 0.00 1.00 0.00 0.00 33.01 30.66 3pcj s GLN 341 CO 0.32 0.02 0.27 -1.13 -2.12 0.00 0.00 175.29 172.65 3pcj n SER 342 N 0.87 -0.52 0.23 5.90 3.41 -1.26 -5.01 113.62 117.24 3pcj n SER 342 Ca 0.00 -3.20 0.17 0.00 -0.26 0.00 0.00 58.87 55.58 3pcj n SER 342 Cb 0.44 1.62 0.86 0.00 -0.26 0.00 0.00 64.21 66.87 3pcj n SER 342 CO 0.00 0.00 0.00 -0.29 -0.16 0.00 0.00 175.04 174.59 3pcj h ILE 343 N 2.04 0.47 -0.46 -1.33 2.10 -1.95 -0.06 117.51 118.33 3pcj h ILE 343 Ca -0.24 0.00 -0.10 0.00 1.08 0.00 0.00 64.86 65.60 3pcj h ILE 343 Cb 1.21 0.88 -0.01 0.00 -1.09 0.00 0.00 36.82 37.80 3pcj h ILE 343 CO 0.36 0.00 -0.09 0.28 -1.08 0.00 0.00 178.15 177.62 3pcj h SER 344 N 0.00 0.87 0.58 2.19 0.02 -1.95 -3.24 113.55 112.01 3pcj h SER 344 Ca 0.06 -0.35 -0.26 0.00 -0.84 0.00 0.00 61.79 60.40 3pcj h SER 344 Cb 0.35 -0.24 -0.04 0.00 0.14 0.00 0.00 62.40 62.61 3pcj h SER 344 CO -0.00 1.02 -1.59 -0.33 -1.14 0.00 0.00 176.83 174.79 3pcj h GLU 345 N 0.70 0.00 -0.33 3.45 3.07 -1.74 -3.39 114.58 116.34 3pcj h GLU 345 Ca 0.12 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.98 3pcj h GLU 345 Cb 0.63 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.54 3pcj h GLU 345 CO 0.04 0.50 0.00 0.25 -1.40 0.00 0.00 179.01 178.40 3pcj n THR 346 N -3.05 0.44 -4.51 1.13 -2.24 -0.12 -3.03 114.28 102.91 3pcj n THR 346 Ca -0.14 -0.50 -0.24 0.00 -2.27 0.00 0.00 64.05 60.89 3pcj n THR 346 Cb 1.00 0.36 -0.10 0.00 -2.10 0.00 0.00 70.33 69.49 3pcj n THR 346 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3pcj s THR 347 N -1.56 1.16 -0.10 4.28 -4.23 -1.22 -4.72 115.64 109.25 3pcj s THR 347 Ca 0.30 -2.00 -0.33 0.00 -1.18 0.00 0.00 61.69 58.48 3pcj s THR 347 Cb 0.16 -2.67 0.15 0.00 1.34 0.00 0.00 72.50 71.47 3pcj s THR 347 CO 0.22 0.00 1.42 -0.83 -0.54 0.00 0.00 174.62 174.89 3pcj s GLY 348 N -3.57 -0.48 0.57 3.99 0.00 -1.23 -0.97 107.32 105.63 3pcj s GLY 348 Ca 0.31 1.00 -0.19 0.00 0.00 0.00 0.00 44.72 45.84 3pcj s GLY 348 CO 0.15 0.20 1.15 2.56 0.00 0.00 0.00 173.10 177.15 3pcj s PRO 349 N -2.07 3.18 -0.14 2.90 0.04 -1.26 -4.78 135.00 132.87 3pcj s PRO 349 Ca 0.15 1.64 -0.00 0.00 0.04 0.00 0.00 61.00 62.82 3pcj s PRO 349 Cb 0.07 -1.98 -0.01 0.00 0.04 0.00 0.00 34.50 32.62 3pcj s PRO 349 CO -0.06 -1.00 -0.13 1.21 0.04 0.00 0.00 177.00 177.06 3pcj s ASN 350 N -1.83 3.92 -0.19 6.66 3.84 -1.26 -4.83 114.94 121.25 3pcj s ASN 350 Ca 0.73 -0.37 0.15 0.00 0.21 0.00 0.00 52.86 53.58 3pcj s ASN 350 Cb -0.25 -1.60 0.68 0.00 -0.55 0.00 0.00 41.25 39.53 3pcj s ASN 350 CO 0.30 0.13 1.60 0.49 -2.79 0.00 0.00 177.10 176.83 3pcj n PHE 351 N 3.74 1.53 0.01 0.43 3.72 -1.26 -4.67 117.46 120.96 3pcj n PHE 351 Ca -0.18 -0.76 0.13 0.00 -0.05 0.00 0.00 57.45 56.58 3pcj n PHE 351 Cb 0.52 -0.39 0.58 0.00 -0.94 0.00 0.00 39.48 39.25 3pcj n PHE 351 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 3pcj h SER 352 N 3.11 0.20 -0.26 4.37 0.02 -1.96 -2.00 113.55 117.02 3pcj h SER 352 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3pcj h SER 352 Cb 1.68 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 64.18 3pcj h SER 352 CO 0.34 0.12 0.00 1.41 -1.14 0.00 0.00 176.83 177.57 3pcj n HIS 353 N -4.46 0.32 -1.88 3.45 8.25 -1.26 -4.97 115.22 114.67 3pcj n HIS 353 Ca 0.07 -0.16 -0.39 0.00 -0.26 0.00 0.00 57.72 56.98 3pcj n HIS 353 Cb 0.37 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.50 3pcj n HIS 353 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 3pcj s LEU 354 N -1.67 4.09 -1.01 2.41 2.96 -0.75 -4.90 118.68 119.80 3pcj s LEU 354 Ca 0.35 2.80 -0.18 0.00 -0.22 0.00 0.00 54.13 56.88 3pcj s LEU 354 Cb 0.22 -4.00 0.13 0.00 0.50 0.00 0.00 46.19 43.03 3pcj s LEU 354 CO 0.31 -1.16 1.25 -0.83 -1.32 0.00 0.00 176.35 174.60 3pcj s GLY 355 N -0.69 1.95 0.22 7.98 0.00 -1.26 -5.01 107.32 110.51 3pcj s GLY 355 Ca 0.62 -2.85 -0.30 0.00 0.00 0.00 0.00 44.72 42.20 3pcj s GLY 355 CO 0.52 2.12 1.00 -1.36 0.00 0.00 0.00 173.10 175.37 3pcj s PHE 356 N 2.75 3.83 0.71 1.90 0.08 -1.26 -5.04 117.98 120.94 3pcj s PHE 356 Ca 0.37 1.81 -0.11 0.00 0.12 0.00 0.00 56.93 59.12 3pcj s PHE 356 Cb -0.04 -3.09 0.01 0.00 -0.57 0.00 0.00 43.02 39.34 3pcj s PHE 356 CO -0.07 0.08 1.07 0.20 -0.10 0.00 0.00 175.22 176.40 3pcj s GLY 357 N -0.78 1.65 0.41 4.36 0.00 -1.26 -4.96 107.32 106.74 3pcj s GLY 357 Ca 0.44 -0.11 0.08 0.00 0.00 0.00 0.00 44.72 45.12 3pcj s GLY 357 CO 0.34 0.23 2.04 0.00 0.00 0.00 0.00 173.10 175.71 3pcj h ALA 358 N -0.71 1.68 -0.54 3.20 0.00 -2.02 -2.53 119.26 118.35 3pcj h ALA 358 Ca -0.45 -0.06 -0.37 0.00 0.00 0.00 0.00 54.91 54.03 3pcj h ALA 358 Cb 1.23 -0.14 -0.26 0.00 0.00 0.00 0.00 17.79 18.61 3pcj h ALA 358 CO 0.60 0.27 -0.46 0.72 0.00 0.00 0.00 179.25 180.38 3pcj n HIS 359 N -4.45 1.89 0.06 0.00 8.25 -1.26 -4.74 115.22 114.97 3pcj n HIS 359 Ca 0.02 -2.03 0.01 0.00 -0.26 0.00 0.00 57.72 55.46 3pcj n HIS 359 Cb 0.10 -0.45 0.34 0.00 1.12 0.00 0.00 29.99 31.09 3pcj n HIS 359 CO 0.00 0.00 0.00 -0.44 0.64 0.00 0.00 176.34 176.54 3pcj h ASP 360 N 1.69 0.35 -0.72 0.41 3.32 -1.73 -2.51 116.42 117.24 3pcj h ASP 360 Ca 0.28 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.26 3pcj h ASP 360 Cb 1.37 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.83 3pcj h ASP 360 CO 0.60 0.48 0.00 0.00 -1.72 0.00 0.00 179.24 178.60 3pcj n HIS 361 N -4.27 1.11 -3.96 4.55 1.44 -1.16 -2.31 115.22 110.63 3pcj n HIS 361 Ca 0.00 -0.53 -0.32 0.00 -2.01 0.00 0.00 57.72 54.87 3pcj n HIS 361 Cb 0.27 -0.06 -0.14 0.00 0.12 0.00 0.00 29.99 30.18 3pcj n HIS 361 CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 3pcj s ASP 362 N -0.98 4.80 0.00 4.39 -1.08 -0.95 -2.40 116.67 120.46 3pcj s ASP 362 Ca 0.50 -2.30 0.22 0.00 -0.52 0.00 0.00 52.55 50.45 3pcj s ASP 362 Cb 0.27 -1.67 1.16 0.00 -1.46 0.00 0.00 42.92 41.22 3pcj s ASP 362 CO 0.31 -0.39 1.70 0.18 0.52 0.00 0.00 175.17 177.50 3pcj n LEU 363 N 4.10 0.00 0.10 -1.34 4.32 0.60 -0.53 117.00 124.26 3pcj n LEU 363 Ca 0.03 0.20 0.03 0.00 -0.02 0.00 0.00 56.01 56.26 3pcj n LEU 363 Cb 0.40 -0.20 -0.01 0.00 -1.62 0.00 0.00 43.42 41.99 3pcj n LEU 363 CO 0.26 -0.06 0.17 -0.07 -1.22 0.00 0.00 177.39 176.47 3pcj h LEU 364 N 0.00 0.00 0.00 2.23 4.07 -1.92 -3.40 115.31 116.29 3pcj h LEU 364 Ca 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 57.96 3pcj h LEU 364 Cb 0.15 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 41.89 3pcj h LEU 364 CO 0.00 0.43 -1.06 0.18 -1.08 0.00 0.00 178.44 176.91 3pcj n LEU 365 N -3.03 0.00 0.00 1.67 4.77 -0.76 -4.60 117.00 115.05 3pcj n LEU 365 Ca -0.02 0.00 0.08 0.00 -0.03 0.00 0.00 56.01 56.04 3pcj n LEU 365 Cb 0.73 0.00 0.43 0.00 -2.33 0.00 0.00 43.42 42.26 3pcj n LEU 365 CO 0.41 0.00 0.73 -0.46 -1.33 0.00 0.00 177.39 176.74 3pcj n ASN 366 N -1.60 0.00 0.07 -1.43 0.23 0.31 -5.06 115.26 107.78 3pcj n ASN 366 Ca -0.00 -0.09 0.00 0.00 -0.53 0.00 0.00 54.58 53.96 3pcj n ASN 366 Cb 0.09 -0.22 0.00 0.00 -2.08 0.00 0.00 39.78 37.57 3pcj n ASN 366 CO 0.00 0.00 0.00 0.33 -0.93 0.00 0.00 177.26 176.66 3pcj n PHE 367 N -1.22 -0.56 0.00 -2.53 7.35 -1.26 -4.99 117.46 114.24 3pcj n PHE 367 Ca 0.09 0.10 0.00 0.00 -0.76 0.00 0.00 57.45 56.88 3pcj n PHE 367 Cb 0.11 0.13 0.00 0.00 0.35 0.00 0.00 39.48 40.07 3pcj n PHE 367 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3pcj n GLY 371 N 3.07 0.00 3.64 7.13 0.00 -1.26 -4.40 105.19 113.38 3pcj n GLY 371 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 3pcj n GLY 371 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3pcj s LEU 372 N 0.00 3.35 0.85 0.99 1.02 -1.26 -4.88 118.68 118.75 3pcj s LEU 372 Ca 0.00 -0.12 -0.11 0.00 0.02 0.00 0.00 54.13 53.92 3pcj s LEU 372 Cb 0.00 -1.97 0.11 0.00 0.02 0.00 0.00 46.19 44.35 3pcj s LEU 372 CO 0.00 0.25 1.16 -2.84 0.02 0.00 0.00 176.35 174.94 3pcj s PRO 373 N -1.71 1.42 -0.09 1.29 0.02 -1.26 -4.79 135.00 129.89 3pcj s PRO 373 Ca 0.20 1.57 -0.11 0.00 0.02 0.00 0.00 61.00 62.68 3pcj s PRO 373 Cb -0.11 -1.77 -0.05 0.00 0.02 0.00 0.00 34.50 32.59 3pcj s PRO 373 CO 0.11 -2.34 0.25 0.42 -0.33 0.00 0.00 177.00 175.11 3pcj s ILE 374 N -2.51 5.32 0.00 2.83 1.01 -1.26 -5.01 121.20 121.58 3pcj s ILE 374 Ca 0.68 0.46 0.00 0.00 0.00 0.00 0.00 60.65 61.79 3pcj s ILE 374 Cb -0.24 -3.54 0.00 0.00 0.01 0.00 0.00 42.46 38.69 3pcj s ILE 374 CO 0.55 0.56 0.00 0.61 0.00 0.00 0.00 174.94 176.66 3pcj n GLY 375 N 2.23 2.69 3.63 6.18 0.00 -1.26 -4.47 105.19 114.20 3pcj n GLY 375 Ca -0.17 -1.83 -0.43 0.00 0.00 0.00 0.00 46.02 43.59 3pcj n GLY 375 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3pcj s GLU 376 N -1.79 3.88 -0.08 1.61 2.02 -1.26 -4.89 118.70 118.18 3pcj s GLU 376 Ca 0.00 1.55 -0.30 0.00 0.02 0.00 0.00 54.97 56.24 3pcj s GLU 376 Cb 0.00 -3.97 -0.04 0.00 0.10 0.00 0.00 34.13 30.22 3pcj s GLU 376 CO 0.00 -1.18 1.40 1.03 0.02 0.00 0.00 175.26 176.53 3pcj s ARG 377 N 4.41 4.24 0.06 1.61 0.52 -1.26 -0.90 118.95 127.63 3pcj s ARG 377 Ca 0.66 1.89 -0.02 0.00 -0.52 0.00 0.00 55.73 57.74 3pcj s ARG 377 Cb -0.22 -3.75 -0.04 0.00 0.52 0.00 0.00 34.95 31.46 3pcj s ARG 377 CO 0.26 -0.69 -0.01 0.96 0.02 0.00 0.00 175.30 175.85 3pcj s ILE 378 N 3.23 0.21 -0.13 1.52 -4.36 0.14 -2.14 121.20 119.67 3pcj s ILE 378 Ca 0.62 -1.75 -0.01 0.00 -0.26 0.00 0.00 60.65 59.25 3pcj s ILE 378 Cb -0.28 -1.52 -0.02 0.00 1.25 0.00 0.00 42.46 41.89 3pcj s ILE 378 CO 0.23 -0.95 -0.09 -0.63 0.24 0.00 0.00 174.94 173.74 3pcj s ILE 379 N -3.92 3.47 -0.25 8.37 1.01 0.03 -0.11 121.20 129.80 3pcj s ILE 379 Ca 0.07 -0.52 -0.03 0.00 0.00 0.00 0.00 60.65 60.17 3pcj s ILE 379 Cb 0.08 -2.48 0.02 0.00 0.01 0.00 0.00 42.46 40.09 3pcj s ILE 379 CO -0.10 0.52 -0.03 -0.69 0.00 0.00 0.00 174.94 174.64 3pcj s VAL 380 N 0.20 3.17 0.24 2.92 1.01 0.60 -0.01 120.40 128.52 3pcj s VAL 380 Ca -0.05 -0.88 0.02 0.00 0.00 0.00 0.00 61.98 61.07 3pcj s VAL 380 Cb -0.15 -2.59 -0.05 0.00 0.00 0.00 0.00 36.38 33.60 3pcj s VAL 380 CO 0.04 0.21 0.06 0.00 0.00 0.00 0.00 175.10 175.40 3pcj s ALA 381 N 1.38 1.68 0.00 5.51 0.00 -0.84 -0.48 121.76 129.01 3pcj s ALA 381 Ca 0.02 -1.80 0.00 0.00 0.00 0.00 0.00 51.96 50.18 3pcj s ALA 381 Cb -0.16 0.82 0.00 0.00 0.00 0.00 0.00 23.12 23.77 3pcj s ALA 381 CO -0.03 -0.38 0.00 0.41 0.00 0.00 0.00 175.76 175.76 3pcj n GLY 382 N -0.41 -1.65 3.24 0.00 0.00 -1.04 -0.07 105.19 105.25 3pcj n GLY 382 Ca -0.02 -1.14 -0.20 0.00 0.00 0.00 0.00 46.02 44.66 3pcj n GLY 382 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3pcj s ARG 383 N -1.57 1.01 -0.25 1.61 3.52 -1.25 -1.92 118.95 120.10 3pcj s ARG 383 Ca 0.00 -1.15 -0.03 0.00 -0.13 0.00 0.00 55.73 54.42 3pcj s ARG 383 Cb 0.00 -1.05 0.01 0.00 -1.56 0.00 0.00 34.95 32.36 3pcj s ARG 383 CO 0.00 0.22 -0.03 0.08 -0.81 0.00 0.00 175.30 174.77 3pcj s VAL 384 N -1.61 3.22 0.31 7.11 1.01 0.19 -0.82 120.40 129.80 3pcj s VAL 384 Ca 0.06 -0.82 0.06 0.00 0.00 0.00 0.00 61.98 61.27 3pcj s VAL 384 Cb -0.08 -2.60 -0.06 0.00 0.00 0.00 0.00 36.38 33.64 3pcj s VAL 384 CO 0.03 0.23 -0.03 0.68 0.00 0.00 0.00 175.10 176.01 3pcj s VAL 385 N 1.40 1.63 0.54 2.92 -7.23 -0.44 -1.22 120.40 118.01 3pcj s VAL 385 Ca 0.02 -2.09 0.09 0.00 -1.81 0.00 0.00 61.98 58.19 3pcj s VAL 385 Cb -0.16 -2.60 0.06 0.00 0.56 0.00 0.00 36.38 34.25 3pcj s VAL 385 CO -0.03 -0.20 0.67 1.51 -0.31 0.00 0.00 175.10 176.75 3pcj s ASP 386 N -3.49 5.08 0.35 4.85 -4.77 0.11 -0.41 116.67 118.39 3pcj s ASP 386 Ca 0.32 -0.86 0.24 0.00 -3.30 0.00 0.00 52.55 48.94 3pcj s ASP 386 Cb 0.05 0.16 1.26 0.00 -1.09 0.00 0.00 42.92 43.31 3pcj s ASP 386 CO 0.14 -1.19 1.73 1.56 0.70 0.00 0.00 175.17 178.10 3pcj h GLN 387 N 0.38 0.00 -0.00 2.11 4.20 -1.07 0.67 115.11 121.39 3pcj h GLN 387 Ca -0.33 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.38 3pcj h GLN 387 Cb 1.29 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.07 3pcj h GLN 387 CO 0.45 0.00 -0.16 0.66 -0.67 0.00 0.00 178.83 179.11 3pcj n TYR 388 N -2.34 0.00 -0.64 2.96 4.01 -1.26 -4.91 117.16 114.99 3pcj n TYR 388 Ca -0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.73 3pcj n TYR 388 Cb 0.06 -0.17 0.00 0.00 -0.31 0.00 0.00 39.34 38.92 3pcj n TYR 388 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3pcj n GLY 389 N 1.31 0.66 3.81 2.72 0.00 0.23 -5.05 105.19 108.86 3pcj n GLY 389 Ca 0.13 -0.15 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 3pcj n GLY 389 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3pcj s LYS 390 N -0.55 4.30 0.58 1.61 2.20 -1.25 -4.74 119.74 121.88 3pcj s LYS 390 Ca 0.00 0.88 -0.18 0.00 -0.36 0.00 0.00 55.97 56.31 3pcj s LYS 390 Cb 0.00 -3.07 -0.04 0.00 -1.51 0.00 0.00 37.83 33.21 3pcj s LYS 390 CO 0.00 0.51 1.12 -2.14 -0.36 0.00 0.00 175.35 174.48 3pcj s PRO 391 N -1.54 3.16 -0.54 4.03 0.02 -1.26 0.06 135.00 138.93 3pcj s PRO 391 Ca 0.37 1.53 0.02 0.00 0.02 0.00 0.00 61.00 62.94 3pcj s PRO 391 Cb -0.19 -1.99 0.14 0.00 0.02 0.00 0.00 34.50 32.48 3pcj s PRO 391 CO 0.22 -0.99 0.30 0.08 -0.33 0.00 0.00 177.00 176.28 3pcj s VAL 392 N -1.98 2.85 0.50 3.83 1.01 -0.35 -4.81 120.40 121.44 3pcj s VAL 392 Ca 0.71 -3.21 -0.15 0.00 0.00 0.00 0.00 61.98 59.33 3pcj s VAL 392 Cb -0.23 -2.94 -0.07 0.00 0.00 0.00 0.00 36.38 33.14 3pcj s VAL 392 CO 0.32 -0.81 0.94 -2.16 0.00 0.00 0.00 175.10 173.39 3pcj s PRO 393 N -0.21 3.88 -1.45 2.72 0.04 -1.26 -4.23 135.00 134.49 3pcj s PRO 393 Ca 0.17 0.82 -0.09 0.00 0.04 0.00 0.00 61.00 61.93 3pcj s PRO 393 Cb -0.24 -2.19 0.05 0.00 0.04 0.00 0.00 34.50 32.15 3pcj s PRO 393 CO -0.01 -0.24 0.95 0.09 0.04 0.00 0.00 177.00 177.83 3pcj n ASN 394 N -1.61 -4.08 -4.75 6.66 4.13 -0.81 -4.97 115.26 109.83 3pcj n ASN 394 Ca 0.05 -0.75 -0.27 0.00 1.68 0.00 0.00 54.58 55.29 3pcj n ASN 394 Cb 0.54 -4.13 -0.06 0.00 -1.54 0.00 0.00 39.78 34.59 3pcj n ASN 394 CO 0.00 0.00 0.00 0.28 0.28 0.00 0.00 177.26 177.82 3pcj s THR 395 N -3.39 4.25 -0.24 3.41 -1.32 -1.26 -4.46 115.64 112.63 3pcj s THR 395 Ca 0.48 -1.12 -0.20 0.00 -1.21 0.00 0.00 61.69 59.63 3pcj s THR 395 Cb -0.23 -3.13 -0.02 0.00 -1.51 0.00 0.00 72.50 67.61 3pcj s THR 395 CO 0.81 -0.06 0.62 -0.22 -2.21 0.00 0.00 174.62 173.56 3pcj s LEU 396 N -2.90 4.09 -0.13 9.08 2.96 -1.26 -0.27 118.68 130.25 3pcj s LEU 396 Ca 0.29 0.74 0.01 0.00 -0.22 0.00 0.00 54.13 54.96 3pcj s LEU 396 Cb -0.10 -2.86 -0.01 0.00 0.50 0.00 0.00 46.19 43.73 3pcj s LEU 396 CO 0.21 -0.33 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.05 3pcj s VAL 397 N 2.29 2.63 0.04 1.68 1.01 -0.57 -1.53 120.40 125.95 3pcj s VAL 397 Ca 0.27 -0.80 0.06 0.00 0.00 0.00 0.00 61.98 61.50 3pcj s VAL 397 Cb -0.16 -2.08 -0.02 0.00 0.00 0.00 0.00 36.38 34.12 3pcj s VAL 397 CO 0.09 0.53 -0.17 -1.61 0.00 0.00 0.00 175.10 173.94 3pcj s GLU 398 N 0.51 1.12 0.06 2.72 2.02 -0.38 -0.75 118.70 124.00 3pcj s GLU 398 Ca -0.11 -0.84 -0.04 0.00 0.02 0.00 0.00 54.97 54.00 3pcj s GLU 398 Cb -0.16 -1.18 -0.02 0.00 0.10 0.00 0.00 34.13 32.87 3pcj s GLU 398 CO 0.05 0.30 0.06 0.00 0.02 0.00 0.00 175.26 175.68 3pcj s MET 399 N -1.16 0.68 -0.07 1.61 0.23 0.05 -0.96 119.30 119.68 3pcj s MET 399 Ca 0.04 -1.06 -0.21 0.00 -1.03 0.00 0.00 55.69 53.43 3pcj s MET 399 Cb -0.08 0.26 0.05 0.00 -1.53 0.00 0.00 34.83 33.52 3pcj s MET 399 CO 0.01 -0.17 0.49 1.67 -2.03 0.00 0.00 175.02 175.00 3pcj s TRP 400 N -3.69 -0.45 0.34 3.16 -2.14 -0.78 -1.31 118.94 114.07 3pcj s TRP 400 Ca 0.04 0.84 -0.17 0.00 2.66 0.00 0.00 56.10 59.47 3pcj s TRP 400 Cb 0.05 0.23 0.04 0.00 -3.10 0.00 0.00 33.47 30.70 3pcj s TRP 400 CO -0.10 -0.44 0.75 1.14 -2.66 0.00 0.00 176.95 175.64 3pcj s GLN 401 N -0.91 2.04 0.85 3.25 -2.07 -0.66 -0.06 119.66 122.10 3pcj s GLN 401 Ca -0.09 -1.27 -0.08 0.00 -1.82 0.00 0.00 55.36 52.10 3pcj s GLN 401 Cb -0.03 0.61 0.17 0.00 -1.09 0.00 0.00 33.01 32.68 3pcj s GLN 401 CO 0.06 -0.94 1.16 0.00 -1.32 0.00 0.00 175.29 174.25 3pcj s ALA 402 N -3.00 3.02 0.85 2.60 0.00 -1.26 -4.68 121.76 119.29 3pcj s ALA 402 Ca 0.14 -1.56 -0.07 0.00 0.00 0.00 0.00 51.96 50.47 3pcj s ALA 402 Cb -0.05 -2.33 0.14 0.00 0.00 0.00 0.00 23.12 20.88 3pcj s ALA 402 CO 0.10 -1.99 0.84 0.27 0.00 0.00 0.00 175.76 174.98 3pcj n ASN 403 N -3.31 0.42 0.24 0.00 0.23 0.06 -4.53 115.26 108.38 3pcj n ASN 403 Ca 0.16 -1.52 0.16 0.00 -0.53 0.00 0.00 54.58 52.85 3pcj n ASN 403 Cb 0.60 -0.61 0.86 0.00 -2.08 0.00 0.00 39.78 38.55 3pcj n ASN 403 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3pcj h ALA 404 N -1.34 1.69 0.00 -2.53 0.00 -1.78 0.23 119.26 115.53 3pcj h ALA 404 Ca -0.27 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3pcj h ALA 404 Cb 0.84 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.64 3pcj h ALA 404 CO 0.23 -0.18 -0.68 0.41 0.00 0.00 0.00 179.25 179.03 3pcj n GLY 405 N -1.37 -1.21 0.89 0.00 0.00 -1.26 -3.22 105.19 99.02 3pcj n GLY 405 Ca -0.00 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.62 3pcj n GLY 405 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3pcj n GLY 406 N 1.47 1.24 3.48 -0.02 0.00 0.01 -4.77 105.19 106.60 3pcj n GLY 406 Ca 0.05 -0.40 -0.34 0.00 0.00 0.00 0.00 46.02 45.33 3pcj n GLY 406 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3pcj s ARG 407 N -2.35 3.64 0.10 1.61 6.06 -1.26 -4.77 118.95 121.98 3pcj s ARG 407 Ca 0.00 -0.53 -0.09 0.00 -2.50 0.00 0.00 55.73 52.60 3pcj s ARG 407 Cb 0.00 -2.92 -0.06 0.00 0.06 0.00 0.00 34.95 32.03 3pcj s ARG 407 CO 0.00 0.19 0.42 0.71 -2.50 0.00 0.00 175.30 174.12 3pcj s TYR 408 N 0.49 3.56 -1.26 5.12 2.02 -1.26 -0.76 117.35 125.25 3pcj s TYR 408 Ca -0.03 0.78 -0.14 0.00 -0.37 0.00 0.00 57.07 57.31 3pcj s TYR 408 Cb -0.14 -2.16 0.14 0.00 -0.40 0.00 0.00 41.96 39.40 3pcj s TYR 408 CO 0.03 0.48 1.62 -2.13 -1.57 0.00 0.00 175.55 173.97 3pcj n ARG 409 N 0.71 3.34 -3.73 -0.62 0.63 -1.26 -4.77 116.66 110.95 3pcj n ARG 409 Ca -0.06 -3.60 -0.12 0.00 -0.92 0.00 0.00 57.85 53.14 3pcj n ARG 409 Cb 0.52 -3.14 -0.11 0.00 0.45 0.00 0.00 32.46 30.18 3pcj n ARG 409 CO 0.00 0.00 0.00 -1.58 -2.51 0.00 0.00 177.63 173.54 3pcj s HIS 410 N 2.10 -0.47 0.20 -0.14 2.46 -1.26 -5.06 115.29 113.12 3pcj s HIS 410 Ca 0.45 1.10 -0.18 0.00 0.47 0.00 0.00 55.06 56.90 3pcj s HIS 410 Cb 0.01 0.18 0.18 0.00 -0.13 0.00 0.00 32.58 32.82 3pcj s HIS 410 CO 0.02 -0.25 1.44 1.63 -2.47 0.00 0.00 174.74 175.11 3pcj n LYS 411 N 3.34 -0.25 0.00 2.88 5.02 -1.26 0.03 118.16 127.93 3pcj n LYS 411 Ca -0.17 1.43 0.09 0.00 -2.02 0.00 0.00 58.31 57.64 3pcj n LYS 411 Cb 0.56 -2.11 0.56 0.00 -0.02 0.00 0.00 35.03 34.03 3pcj n LYS 411 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3pcj n ASN 412 N -5.34 0.00 -4.53 4.39 5.03 -1.26 -4.68 115.26 108.87 3pcj n ASN 412 Ca 0.08 -0.63 -0.43 0.00 0.87 0.00 0.00 54.58 54.48 3pcj n ASN 412 Cb 0.35 0.00 -0.07 0.00 -1.02 0.00 0.00 39.78 39.05 3pcj n ASN 412 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 3pcj s ASP 413 N -1.98 6.34 -0.03 6.41 2.15 0.10 -4.88 116.67 124.78 3pcj s ASP 413 Ca 0.28 -0.24 0.17 0.00 0.43 0.00 0.00 52.55 53.20 3pcj s ASP 413 Cb 0.13 -2.32 0.53 0.00 -0.30 0.00 0.00 42.92 40.96 3pcj s ASP 413 CO 0.22 -0.73 1.45 0.54 -0.17 0.00 0.00 175.17 176.48 3pcj n ARG 414 N 6.19 2.95 -1.82 4.34 5.12 -1.26 -4.88 116.66 127.30 3pcj n ARG 414 Ca -0.02 -2.49 -0.40 0.00 -1.93 0.00 0.00 57.85 53.02 3pcj n ARG 414 Cb 0.48 -1.52 0.02 0.00 -1.16 0.00 0.00 32.46 30.28 3pcj n ARG 414 CO 0.00 0.00 0.00 -0.47 -1.93 0.00 0.00 177.63 175.23 3pcj s TYR 415 N -1.21 2.46 -0.27 -1.55 5.04 -1.26 -4.89 117.35 115.67 3pcj s TYR 415 Ca 0.40 1.29 0.27 0.00 -2.44 0.00 0.00 57.07 56.59 3pcj s TYR 415 Cb 0.22 -3.88 1.15 0.00 0.35 0.00 0.00 41.96 39.80 3pcj s TYR 415 CO 0.25 -2.86 1.80 1.37 -1.34 0.00 0.00 175.55 174.77 3pcj h LEU 416 N 2.22 0.00 -9.87 6.97 -0.00 -1.97 -3.44 115.31 109.22 3pcj h LEU 416 Ca -0.51 0.00 -0.52 0.00 -0.00 0.00 0.00 57.88 56.85 3pcj h LEU 416 Cb 1.27 0.00 0.05 0.00 -0.00 0.00 0.00 40.66 41.98 3pcj h LEU 416 CO 0.61 0.00 0.60 0.00 -0.00 0.00 0.00 178.44 179.65 3pcj s ALA 417 N -3.45 3.47 0.76 0.17 0.00 -1.26 -4.98 121.76 116.47 3pcj s ALA 417 Ca 0.02 1.18 -0.11 0.00 0.00 0.00 0.00 51.96 53.05 3pcj s ALA 417 Cb 0.09 -3.44 0.05 0.00 0.00 0.00 0.00 23.12 19.82 3pcj s ALA 417 CO 0.41 -0.54 1.08 -1.25 0.00 0.00 0.00 175.76 175.46 3pcj s PRO 418 N -1.73 2.36 0.56 0.00 0.04 -1.26 -4.80 135.00 130.16 3pcj s PRO 418 Ca 0.48 0.88 -0.09 0.00 0.04 0.00 0.00 61.00 62.31 3pcj s PRO 418 Cb -0.38 -1.93 -0.04 0.00 0.04 0.00 0.00 34.50 32.19 3pcj s PRO 418 CO 0.50 -1.49 0.93 -0.51 0.04 0.00 0.00 177.00 176.47 3pcj s LEU 419 N -5.76 3.42 -0.32 -3.56 1.43 -1.26 -4.73 118.68 107.90 3pcj s LEU 419 Ca 0.60 1.25 -0.06 0.00 -1.03 0.00 0.00 54.13 54.89 3pcj s LEU 419 Cb -0.15 -4.26 0.03 0.00 0.03 0.00 0.00 46.19 41.84 3pcj s LEU 419 CO 0.55 -0.73 0.08 -0.62 0.23 0.00 0.00 176.35 175.86 3pcj s ASP 420 N -4.03 5.18 0.58 2.29 -1.08 -1.26 -4.99 116.67 113.36 3pcj s ASP 420 Ca 0.53 -0.96 0.35 0.00 -0.52 0.00 0.00 52.55 51.94 3pcj s ASP 420 Cb -0.11 -1.86 1.37 0.00 -1.46 0.00 0.00 42.92 40.86 3pcj s ASP 420 CO 0.48 -0.26 1.59 1.55 0.52 0.00 0.00 175.17 179.05 3pcj h PRO 421 N 8.21 0.00 -0.44 4.34 0.13 -1.96 0.60 132.00 142.88 3pcj h PRO 421 Ca -0.27 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.65 3pcj h PRO 421 Cb 1.10 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.10 3pcj h PRO 421 CO 0.60 0.00 0.03 0.09 -0.23 0.00 0.00 178.00 178.49 3pcj n ASN 422 N -3.70 2.80 -3.81 1.44 4.13 -1.26 -4.96 115.26 109.90 3pcj n ASN 422 Ca 0.26 -3.68 -0.21 0.00 1.68 0.00 0.00 54.58 52.63 3pcj n ASN 422 Cb 1.42 -0.66 -0.17 0.00 -1.54 0.00 0.00 39.78 38.84 3pcj n ASN 422 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 3pcj s PHE 423 N -3.22 0.62 -0.14 3.10 5.36 0.20 -4.03 117.98 119.87 3pcj s PHE 423 Ca 0.46 -0.14 -0.13 0.00 -0.96 0.00 0.00 56.93 56.16 3pcj s PHE 423 Cb 0.41 -0.69 -0.04 0.00 -0.34 0.00 0.00 43.02 42.36 3pcj s PHE 423 CO 0.02 -0.25 -0.25 0.41 -1.46 0.00 0.00 175.22 173.69 3pcj n GLY 424 N 4.67 -0.69 0.00 13.12 0.00 -1.26 -4.70 105.19 116.33 3pcj n GLY 424 Ca -0.15 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.64 3pcj n GLY 424 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3pcj n GLY 425 N 1.53 1.68 3.04 -0.02 0.00 -1.26 -4.44 105.19 105.73 3pcj n GLY 425 Ca -0.10 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.68 3pcj n GLY 425 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3pcj s VAL 426 N -2.00 1.11 0.13 1.61 1.01 -1.26 -1.66 120.40 119.33 3pcj s VAL 426 Ca 0.00 -0.50 -0.06 0.00 0.00 0.00 0.00 61.98 61.42 3pcj s VAL 426 Cb 0.00 -0.99 -0.02 0.00 0.00 0.00 0.00 36.38 35.37 3pcj s VAL 426 CO 0.00 0.34 0.17 -0.83 0.00 0.00 0.00 175.10 174.78 3pcj s GLY 427 N 0.39 0.52 -0.03 4.51 0.00 -0.43 -4.84 107.32 107.44 3pcj s GLY 427 Ca -0.09 -1.01 -0.17 0.00 0.00 0.00 0.00 44.72 43.45 3pcj s GLY 427 CO 0.02 -1.02 0.37 1.09 0.00 0.00 0.00 173.10 173.57 3pcj s ARG 428 N -3.96 0.72 -0.25 2.90 1.70 -0.98 -0.77 118.95 118.31 3pcj s ARG 428 Ca 0.15 -0.09 -0.20 0.00 -0.47 0.00 0.00 55.73 55.13 3pcj s ARG 428 Cb 0.05 0.32 0.07 0.00 -0.57 0.00 0.00 34.95 34.82 3pcj s ARG 428 CO -0.03 -0.20 0.65 0.00 -1.08 0.00 0.00 175.30 174.64 3pcj s LEU 430 N 0.84 4.29 0.72 0.00 2.96 -1.26 -1.51 118.68 124.73 3pcj s LEU 430 Ca -0.04 0.79 -0.14 0.00 -0.22 0.00 0.00 54.13 54.52 3pcj s LEU 430 Cb -0.05 -2.65 0.03 0.00 0.50 0.00 0.00 46.19 44.02 3pcj s LEU 430 CO -0.07 0.04 1.16 0.42 -1.32 0.00 0.00 176.35 176.58 3pcj s THR 431 N 0.47 2.71 0.56 3.68 -4.23 0.62 -4.85 115.64 114.61 3pcj s THR 431 Ca 0.25 0.33 -0.05 0.00 -1.18 0.00 0.00 61.69 61.04 3pcj s THR 431 Cb -0.15 -2.83 0.12 0.00 1.34 0.00 0.00 72.50 70.98 3pcj s THR 431 CO 0.10 -0.21 0.77 -0.90 -0.54 0.00 0.00 174.62 173.83 3pcj n ASP 432 N -2.76 0.57 0.31 3.99 5.68 -0.11 -1.92 116.55 122.31 3pcj n ASP 432 Ca 0.12 -1.59 0.19 0.00 -0.50 0.00 0.00 54.79 53.01 3pcj n ASP 432 Cb 0.51 -0.54 0.98 0.00 -1.14 0.00 0.00 41.12 40.94 3pcj n ASP 432 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 3pcj h SER 433 N -0.72 0.00 -0.39 -1.12 0.02 -1.94 0.11 113.55 109.51 3pcj h SER 433 Ca -0.25 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.70 3pcj h SER 433 Cb 0.81 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.35 3pcj h SER 433 CO 0.23 0.00 0.00 0.47 -1.14 0.00 0.00 176.83 176.39 3pcj n ASP 434 N -3.18 3.19 0.00 3.07 8.00 -1.26 -4.60 116.55 121.77 3pcj n ASP 434 Ca -0.02 -1.92 0.00 0.00 0.71 0.00 0.00 54.79 53.56 3pcj n ASP 434 Cb 0.24 -0.25 0.00 0.00 -0.02 0.00 0.00 41.12 41.09 3pcj n ASP 434 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3pcj n GLY 435 N 1.12 0.60 3.84 0.44 0.00 0.37 -4.73 105.19 106.83 3pcj n GLY 435 Ca 0.16 -0.27 -0.35 0.00 0.00 0.00 0.00 46.02 45.56 3pcj n GLY 435 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3pcj s TYR 436 N -2.00 3.58 0.13 1.61 2.02 -1.26 0.52 117.35 121.96 3pcj s TYR 436 Ca 0.00 1.17 -0.00 0.00 -0.37 0.00 0.00 57.07 57.87 3pcj s TYR 436 Cb 0.00 -2.46 -0.04 0.00 -0.40 0.00 0.00 41.96 39.06 3pcj s TYR 436 CO 0.00 0.35 0.02 1.52 -1.57 0.00 0.00 175.55 175.87 3pcj s TYR 437 N -1.56 0.90 -0.19 2.71 -0.85 -0.81 -0.93 117.35 116.63 3pcj s TYR 437 Ca 0.42 -1.13 -0.28 0.00 -0.52 0.00 0.00 57.07 55.56 3pcj s TYR 437 Cb -0.15 -0.53 0.10 0.00 0.38 0.00 0.00 41.96 41.77 3pcj s TYR 437 CO 0.20 -0.39 0.89 -1.54 -1.52 0.00 0.00 175.55 173.18 3pcj s SER 438 N -3.06 -0.53 0.10 -0.18 1.04 -1.26 -2.50 113.70 107.31 3pcj s SER 438 Ca 0.20 0.79 0.02 0.00 0.48 0.00 0.00 55.95 57.45 3pcj s SER 438 Cb 0.07 0.72 -0.04 0.00 0.10 0.00 0.00 66.02 66.87 3pcj s SER 438 CO -0.00 -0.33 -0.08 -0.36 0.98 0.00 0.00 173.24 173.45 3pcj s PHE 439 N -0.49 0.93 -0.08 5.02 0.08 0.37 -4.92 117.98 118.90 3pcj s PHE 439 Ca -0.02 -0.82 0.02 0.00 0.12 0.00 0.00 56.93 56.22 3pcj s PHE 439 Cb -0.02 -0.53 0.02 0.00 -0.57 0.00 0.00 43.02 41.91 3pcj s PHE 439 CO 0.01 -0.10 -0.12 0.50 -0.10 0.00 0.00 175.22 175.42 3pcj s ARG 440 N -3.46 1.71 0.00 0.44 3.52 -1.01 -0.29 118.95 119.85 3pcj s ARG 440 Ca 0.09 -0.40 0.00 0.00 -0.13 0.00 0.00 55.73 55.30 3pcj s ARG 440 Cb 0.02 -1.47 0.00 0.00 -1.56 0.00 0.00 34.95 31.95 3pcj s ARG 440 CO -0.03 -0.03 0.00 -2.37 -0.81 0.00 0.00 175.30 172.06 3pcj n THR 441 N 4.03 0.00 -4.32 4.11 5.66 0.84 -0.29 114.28 124.32 3pcj n THR 441 Ca -0.21 0.00 -0.30 0.00 -3.05 0.00 0.00 64.05 60.49 3pcj n THR 441 Cb 0.51 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 69.18 3pcj n THR 441 CO 0.00 0.00 0.00 0.27 -3.05 0.00 0.00 175.07 172.29 3pcj s ILE 442 N -2.91 3.01 0.02 1.09 -4.36 -1.26 0.28 121.20 117.08 3pcj s ILE 442 Ca 0.00 -1.39 -0.30 0.00 -0.26 0.00 0.00 60.65 58.70 3pcj s ILE 442 Cb 0.00 -2.38 -0.06 0.00 1.25 0.00 0.00 42.46 41.27 3pcj s ILE 442 CO 0.00 0.13 1.46 -0.75 0.24 0.00 0.00 174.94 176.02 3pcj s LYS 443 N -2.08 4.26 0.60 0.37 2.20 -0.08 -4.90 119.74 120.12 3pcj s LYS 443 Ca 0.19 2.06 -0.16 0.00 -0.36 0.00 0.00 55.97 57.69 3pcj s LYS 443 Cb -0.11 -3.56 -0.03 0.00 -1.51 0.00 0.00 37.83 32.62 3pcj s LYS 443 CO 0.11 -0.60 1.09 -1.25 -0.36 0.00 0.00 175.35 174.33 3pcj s PRO 444 N 2.38 3.17 0.22 4.03 0.04 -1.26 -4.31 135.00 139.27 3pcj s PRO 444 Ca 0.66 1.35 -0.02 0.00 0.04 0.00 0.00 61.00 63.03 3pcj s PRO 444 Cb -0.34 -2.00 -0.05 0.00 0.04 0.00 0.00 34.50 32.15 3pcj s PRO 444 CO 0.28 -0.95 0.44 0.20 0.04 0.00 0.00 177.00 177.01 3pcj s GLY 445 N -2.48 1.86 0.96 0.56 0.00 -0.84 -4.66 107.32 102.72 3pcj s GLY 445 Ca 0.67 -0.72 -0.13 0.00 0.00 0.00 0.00 44.72 44.54 3pcj s GLY 445 CO 0.36 -0.65 0.40 -1.05 0.00 0.00 0.00 173.10 172.16 3pcj n PRO 446 N -0.65 -0.38 -3.77 2.90 -0.02 -1.26 -4.18 135.00 127.64 3pcj n PRO 446 Ca -0.04 -0.07 -0.15 0.00 -2.02 0.00 0.00 63.50 61.23 3pcj n PRO 446 Cb 0.54 -1.86 -0.16 0.00 -0.02 0.00 0.00 33.50 32.00 3pcj n PRO 446 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 3pcj s TYR 447 N -2.39 0.01 0.35 6.00 5.04 -0.80 -4.36 117.35 121.20 3pcj s TYR 447 Ca 0.57 0.17 -0.24 0.00 -2.44 0.00 0.00 57.07 55.13 3pcj s TYR 447 Cb -0.21 -0.23 -0.10 0.00 0.35 0.00 0.00 41.96 41.77 3pcj s TYR 447 CO 0.67 -0.10 0.93 -1.25 -1.34 0.00 0.00 175.55 174.46 3pcj s PRO 448 N 1.11 4.44 0.03 4.97 0.04 -1.26 0.16 135.00 144.48 3pcj s PRO 448 Ca -0.09 1.22 -0.13 0.00 0.04 0.00 0.00 61.00 62.04 3pcj s PRO 448 Cb -0.13 -2.59 0.02 0.00 0.04 0.00 0.00 34.50 31.83 3pcj s PRO 448 CO -0.03 0.18 0.27 1.67 0.04 0.00 0.00 177.00 179.13 3pcj s TRP 449 N -1.80 -0.08 -1.30 0.56 1.48 -0.98 -4.88 118.94 111.94 3pcj s TRP 449 Ca 0.54 -0.03 -0.17 0.00 -1.06 0.00 0.00 56.10 55.38 3pcj s TRP 449 Cb -0.15 0.06 0.09 0.00 -1.16 0.00 0.00 33.47 32.31 3pcj s TRP 449 CO 0.20 -0.46 1.74 0.54 -4.06 0.00 0.00 176.95 174.91 3pcj n ARG 450 N 0.76 3.21 0.00 3.25 1.74 -1.26 -4.30 116.66 120.06 3pcj n ARG 450 Ca -0.19 -3.32 0.00 0.00 -0.77 0.00 0.00 57.85 53.56 3pcj n ARG 450 Cb 0.58 -3.39 0.00 0.00 -1.02 0.00 0.00 32.46 28.64 3pcj n ARG 450 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 3pcj n ASN 451 N 7.62 0.00 -4.80 0.55 5.15 -1.26 -5.05 115.26 117.47 3pcj n ASN 451 Ca 0.47 0.00 -0.28 0.00 -0.60 0.00 0.00 54.58 54.17 3pcj n ASN 451 Cb 0.45 0.00 0.10 0.00 -0.53 0.00 0.00 39.78 39.79 3pcj n ASN 451 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 3pcj s GLY 452 N -0.44 1.66 0.44 8.20 0.00 -1.26 -4.94 107.32 110.98 3pcj s GLY 452 Ca 0.00 -0.86 0.30 0.00 0.00 0.00 0.00 44.72 44.16 3pcj s GLY 452 CO 0.00 -0.36 1.92 -2.55 0.00 0.00 0.00 173.10 172.11 3pcj h PRO 453 N -0.96 0.00 -1.04 2.90 0.11 -1.97 -3.26 132.00 127.77 3pcj h PRO 453 Ca -0.45 0.00 -0.36 0.00 0.11 0.00 0.00 66.00 65.30 3pcj h PRO 453 Cb 1.31 0.00 -0.33 0.00 0.11 0.00 0.00 31.00 32.09 3pcj h PRO 453 CO 0.59 0.00 -0.97 -1.71 -0.21 0.00 0.00 178.00 175.70 3pcj n ASN 454 N -2.58 0.22 -4.82 -2.05 5.15 -1.26 -5.09 115.26 104.82 3pcj n ASN 454 Ca -0.01 -2.90 -0.38 0.00 -0.60 0.00 0.00 54.58 50.68 3pcj n ASN 454 Cb 0.09 0.01 -0.06 0.00 -0.53 0.00 0.00 39.78 39.29 3pcj n ASN 454 CO 0.00 0.00 0.00 -1.81 1.40 0.00 0.00 177.26 176.85 3pcj s ASP 455 N -2.35 6.94 -0.02 1.20 1.01 -1.23 -5.06 116.67 117.15 3pcj s ASP 455 Ca 0.30 1.12 -0.00 0.00 0.71 0.00 0.00 52.55 54.68 3pcj s ASP 455 Cb 0.39 -2.31 0.03 0.00 1.01 0.00 0.00 42.92 42.04 3pcj s ASP 455 CO -0.03 0.29 0.03 0.26 0.21 0.00 0.00 175.17 175.93 3pcj s TRP 456 N -1.06 0.06 0.20 4.23 0.52 -1.26 -2.32 118.94 119.31 3pcj s TRP 456 Ca 0.27 0.12 -0.29 0.00 0.02 0.00 0.00 56.10 56.21 3pcj s TRP 456 Cb -0.18 -0.26 -0.08 0.00 -1.15 0.00 0.00 33.47 31.79 3pcj s TRP 456 CO 0.16 -0.10 0.92 1.03 0.02 0.00 0.00 176.95 178.98 3pcj s ARG 457 N 1.10 4.78 0.81 4.98 1.81 0.42 -4.78 118.95 128.06 3pcj s ARG 457 Ca -0.09 1.43 -0.12 0.00 -1.72 0.00 0.00 55.73 55.23 3pcj s ARG 457 Cb -0.13 -3.30 0.08 0.00 -0.45 0.00 0.00 34.95 31.15 3pcj s ARG 457 CO -0.03 0.45 1.14 -2.14 -0.68 0.00 0.00 175.30 174.04 3pcj s PRO 458 N -0.89 1.78 0.26 3.54 0.02 -1.26 -1.91 135.00 136.53 3pcj s PRO 458 Ca 0.41 1.46 -0.31 0.00 0.02 0.00 0.00 61.00 62.58 3pcj s PRO 458 Cb -0.25 -1.82 -0.12 0.00 0.02 0.00 0.00 34.50 32.33 3pcj s PRO 458 CO 0.31 -2.05 1.55 0.00 -0.33 0.00 0.00 177.00 176.47 3pcj n ALA 459 N -3.57 2.01 -3.24 -1.55 0.00 -1.26 -4.67 120.51 108.24 3pcj n ALA 459 Ca 0.11 0.39 -0.13 0.00 0.00 0.00 0.00 53.44 53.81 3pcj n ALA 459 Cb 0.52 -2.40 -0.06 0.00 0.00 0.00 0.00 19.45 17.51 3pcj n ALA 459 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 3pcj s HIS 460 N 0.18 -0.35 -0.13 0.00 -3.43 -1.26 -4.10 115.29 106.19 3pcj s HIS 460 Ca 0.68 0.36 -0.00 0.00 -0.80 0.00 0.00 55.06 55.29 3pcj s HIS 460 Cb -0.56 0.29 -0.02 0.00 -1.43 0.00 0.00 32.58 30.86 3pcj s HIS 460 CO 0.46 -0.61 -0.12 0.42 -2.00 0.00 0.00 174.74 172.89 3pcj s ILE 461 N -2.48 3.13 0.19 -5.38 1.01 -0.63 -4.57 121.20 112.48 3pcj s ILE 461 Ca -0.05 -0.63 -0.28 0.00 0.00 0.00 0.00 60.65 59.69 3pcj s ILE 461 Cb -0.01 -2.32 -0.08 0.00 0.01 0.00 0.00 42.46 40.06 3pcj s ILE 461 CO -0.02 0.52 0.87 -1.00 0.00 0.00 0.00 174.94 175.31 3pcj s HIS 462 N 0.34 3.94 0.08 3.97 3.76 0.92 -0.50 115.29 127.78 3pcj s HIS 462 Ca -0.10 1.78 0.05 0.00 -0.15 0.00 0.00 55.06 56.64 3pcj s HIS 462 Cb -0.16 -2.89 -0.03 0.00 1.11 0.00 0.00 32.58 30.61 3pcj s HIS 462 CO 0.05 0.46 -0.15 -0.06 -0.85 0.00 0.00 174.74 174.20 3pcj s PHE 463 N -1.05 1.26 -0.07 1.40 0.40 0.11 -1.87 117.98 118.16 3pcj s PHE 463 Ca 0.39 -0.46 0.01 0.00 -0.60 0.00 0.00 56.93 56.27 3pcj s PHE 463 Cb -0.24 -0.71 0.02 0.00 0.51 0.00 0.00 43.02 42.60 3pcj s PHE 463 CO 0.29 0.07 -0.06 0.20 0.70 0.00 0.00 175.22 176.42 3pcj s GLY 464 N -1.78 0.62 -0.06 4.36 0.00 -0.13 -0.74 107.32 109.59 3pcj s GLY 464 Ca -0.01 -0.27 0.04 0.00 0.00 0.00 0.00 44.72 44.49 3pcj s GLY 464 CO 0.02 0.57 -0.20 -0.42 0.00 0.00 0.00 173.10 173.07 3pcj s ILE 465 N 1.22 1.69 -0.11 0.90 1.09 0.99 -1.25 121.20 125.72 3pcj s ILE 465 Ca -0.05 -0.84 -0.09 0.00 -1.10 0.00 0.00 60.65 58.56 3pcj s ILE 465 Cb -0.14 -1.46 -0.08 0.00 -1.06 0.00 0.00 42.46 39.72 3pcj s ILE 465 CO -0.02 0.48 0.22 0.77 -0.10 0.00 0.00 174.94 176.29 3pcj h SER 466 N 6.42 0.00 -3.80 3.58 4.64 -1.56 -0.06 113.55 122.78 3pcj h SER 466 Ca -0.29 -0.30 0.02 0.00 -0.47 0.00 0.00 61.79 60.76 3pcj h SER 466 Cb 1.19 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.28 3pcj h SER 466 CO 0.47 0.67 -0.03 0.61 -0.87 0.00 0.00 176.83 177.68 3pcj n GLY 467 N 1.72 -2.11 0.00 -0.77 0.00 -1.26 -2.68 105.19 100.10 3pcj n GLY 467 Ca -0.04 -1.44 0.12 0.00 0.00 0.00 0.00 46.02 44.67 3pcj n GLY 467 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3pcj n PRO 468 N -0.81 0.23 -3.84 1.61 -0.04 -1.26 -4.88 135.00 126.01 3pcj n PRO 468 Ca 0.00 0.06 -0.07 0.00 -0.04 0.00 0.00 63.50 63.45 3pcj n PRO 468 Cb 0.04 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 31.98 3pcj n PRO 468 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3pcj s SER 469 N -2.72 -0.22 0.39 3.54 1.04 -1.26 -3.57 113.70 110.90 3pcj s SER 469 Ca 0.20 -0.64 0.28 0.00 0.48 0.00 0.00 55.95 56.26 3pcj s SER 469 Cb 0.17 0.70 1.01 0.00 0.10 0.00 0.00 66.02 68.00 3pcj s SER 469 CO 0.40 -1.32 1.81 0.16 0.98 0.00 0.00 173.24 175.28 3pcj h ILE 470 N 2.00 0.00 -0.02 -1.02 3.07 -1.16 -2.60 117.51 117.79 3pcj h ILE 470 Ca -0.21 -0.49 -0.11 0.00 1.55 0.00 0.00 64.86 65.60 3pcj h ILE 470 Cb 1.25 1.40 -0.02 0.00 -0.27 0.00 0.00 36.82 39.18 3pcj h ILE 470 CO 0.25 0.00 -0.52 0.00 -1.05 0.00 0.00 178.15 176.84 3pcj h ALA 471 N 2.17 1.12 0.00 0.16 0.00 -1.80 -3.21 119.26 117.69 3pcj h ALA 471 Ca 0.00 -0.47 -0.09 0.00 0.00 0.00 0.00 54.91 54.35 3pcj h ALA 471 Cb 0.57 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 3pcj h ALA 471 CO 0.00 0.65 -1.26 0.25 0.00 0.00 0.00 179.25 178.89 3pcj n THR 472 N -3.93 0.89 -1.58 0.00 -2.24 -0.99 -4.93 114.28 101.51 3pcj n THR 472 Ca -0.02 -0.62 -0.46 0.00 -2.27 0.00 0.00 64.05 60.68 3pcj n THR 472 Cb 0.53 -0.53 -0.02 0.00 -2.10 0.00 0.00 70.33 68.21 3pcj n THR 472 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 3pcj n LYS 473 N -2.77 1.23 -3.67 -0.78 3.00 -1.09 -4.70 118.16 109.37 3pcj n LYS 473 Ca -0.05 0.43 -0.15 0.00 -0.00 0.00 0.00 58.31 58.54 3pcj n LYS 473 Cb 0.70 -1.81 -0.08 0.00 0.00 0.00 0.00 35.03 33.84 3pcj n LYS 473 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.40 176.23 3pcj s LEU 474 N 0.67 0.15 -0.07 3.14 2.96 -0.04 -5.01 118.68 120.49 3pcj s LEU 474 Ca 0.63 0.56 0.04 0.00 -0.22 0.00 0.00 54.13 55.14 3pcj s LEU 474 Cb -0.75 1.80 -0.00 0.00 0.50 0.00 0.00 46.19 47.73 3pcj s LEU 474 CO 0.57 -0.42 -0.20 -0.63 -1.32 0.00 0.00 176.35 174.36 3pcj s ILE 475 N -0.82 1.68 0.15 6.68 1.01 -1.26 -0.01 121.20 128.64 3pcj s ILE 475 Ca -0.09 -0.83 -0.01 0.00 0.00 0.00 0.00 60.65 59.72 3pcj s ILE 475 Cb -0.03 -1.46 0.00 0.00 0.01 0.00 0.00 42.46 40.99 3pcj s ILE 475 CO 0.05 0.48 0.22 1.07 0.00 0.00 0.00 174.94 176.76 3pcj n THR 476 N 3.36 0.00 -4.14 2.92 5.66 0.08 -5.00 114.28 117.16 3pcj n THR 476 Ca -0.19 -0.75 -0.15 0.00 -3.05 0.00 0.00 64.05 59.90 3pcj n THR 476 Cb 0.53 0.47 -0.14 0.00 -1.55 0.00 0.00 70.33 69.64 3pcj n THR 476 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 175.07 170.92 3pcj s GLN 477 N -2.33 0.43 -0.09 1.09 -0.21 -1.26 -0.72 119.66 116.57 3pcj s GLN 477 Ca 0.12 -0.26 -0.11 0.00 0.02 0.00 0.00 55.36 55.13 3pcj s GLN 477 Cb -0.01 -0.38 -0.05 0.00 1.00 0.00 0.00 33.01 33.58 3pcj s GLN 477 CO 0.09 0.10 0.26 -1.17 -2.12 0.00 0.00 175.29 172.45 3pcj s LEU 478 N -0.32 4.38 0.30 2.90 0.20 0.34 -4.83 118.68 121.65 3pcj s LEU 478 Ca 0.00 0.63 0.11 0.00 0.69 0.00 0.00 54.13 55.56 3pcj s LEU 478 Cb -0.03 -2.30 -0.05 0.00 -0.43 0.00 0.00 46.19 43.38 3pcj s LEU 478 CO -0.00 0.31 -0.10 -0.31 -0.29 0.00 0.00 176.35 175.96 3pcj s TYR 479 N -0.68 2.44 -0.14 5.38 2.02 0.12 -1.60 117.35 124.90 3pcj s TYR 479 Ca 0.18 -0.35 -0.05 0.00 -0.37 0.00 0.00 57.07 56.48 3pcj s TYR 479 Cb -0.14 -1.18 -0.04 0.00 -0.40 0.00 0.00 41.96 40.20 3pcj s TYR 479 CO 0.07 0.63 0.03 -0.06 -1.57 0.00 0.00 175.55 174.65 3pcj s PHE 480 N -2.48 3.22 0.05 2.71 0.40 -1.26 0.21 117.98 120.82 3pcj s PHE 480 Ca 0.32 0.11 -0.38 0.00 -0.60 0.00 0.00 56.93 56.38 3pcj s PHE 480 Cb -0.03 -1.94 -0.18 0.00 0.51 0.00 0.00 43.02 41.37 3pcj s PHE 480 CO 0.17 0.31 1.17 -1.91 0.70 0.00 0.00 175.22 175.66 3pcj n GLU 481 N 2.84 0.51 0.00 0.44 2.13 -0.45 -2.10 120.64 124.02 3pcj n GLU 481 Ca -0.18 0.19 0.00 0.00 0.66 0.00 0.00 57.16 57.83 3pcj n GLU 481 Cb 0.53 -1.73 0.00 0.00 0.27 0.00 0.00 31.44 30.51 3pcj n GLU 481 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3pcj n GLY 482 N 1.95 2.89 3.70 8.31 0.00 -1.26 -4.99 105.19 115.79 3pcj n GLY 482 Ca 0.19 0.00 -0.58 0.00 0.00 0.00 0.00 46.02 45.63 3pcj n GLY 482 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3pcj n ASP 483 N 0.00 2.27 0.12 1.61 -0.08 -0.89 -4.83 116.55 114.74 3pcj n ASP 483 Ca 0.00 1.06 0.12 0.00 -1.51 0.00 0.00 54.79 54.46 3pcj n ASP 483 Cb 0.00 -1.12 0.47 0.00 2.34 0.00 0.00 41.12 42.81 3pcj n ASP 483 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 3pcj n PRO 484 N 5.42 0.20 0.21 -0.67 -0.04 -1.26 -3.13 135.00 135.73 3pcj n PRO 484 Ca 0.28 0.35 0.10 0.00 -0.04 0.00 0.00 63.50 64.20 3pcj n PRO 484 Cb 0.11 -1.83 0.18 0.00 -0.04 0.00 0.00 33.50 31.92 3pcj n PRO 484 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 3pcj h LEU 485 N 0.00 0.00 -0.06 1.53 3.38 -1.96 -3.38 115.31 114.82 3pcj h LEU 485 Ca 0.00 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.00 3pcj h LEU 485 Cb 0.46 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.14 3pcj h LEU 485 CO 0.00 0.10 -0.50 0.40 0.09 0.00 0.00 178.44 178.53 3pcj h ILE 486 N 0.00 0.05 0.00 1.22 2.04 -1.93 -2.09 117.51 116.81 3pcj h ILE 486 Ca -0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 3pcj h ILE 486 Cb 1.04 0.05 0.00 0.00 -0.74 0.00 0.00 36.82 37.17 3pcj h ILE 486 CO 0.01 0.00 0.00 -0.81 0.00 0.00 0.00 178.15 177.35 3pcj n PRO 487 N -5.45 0.14 0.00 2.37 -0.04 -1.26 -2.22 135.00 128.54 3pcj n PRO 487 Ca -0.06 0.18 0.08 0.00 -0.04 0.00 0.00 63.50 63.66 3pcj n PRO 487 Cb 0.38 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.32 3pcj n PRO 487 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 3pcj n MET 488 N -1.25 1.59 -2.69 0.54 2.81 -0.80 -4.96 117.12 112.36 3pcj n MET 488 Ca 0.04 -0.67 -0.43 0.00 -1.81 0.00 0.00 57.70 54.83 3pcj n MET 488 Cb 0.06 -1.31 -0.02 0.00 -0.71 0.00 0.00 33.22 31.24 3pcj n MET 488 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3pcj h PRO 490 N 7.97 0.73 -0.32 0.00 0.11 -1.90 0.43 132.00 139.03 3pcj h PRO 490 Ca -0.21 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.83 3pcj h PRO 490 Cb 1.07 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.00 3pcj h PRO 490 CO 1.00 0.48 0.08 0.82 -0.21 0.00 0.00 178.00 180.17 3pcj h ILE 491 N 0.75 1.22 -0.10 4.15 2.04 -1.91 -1.72 117.51 121.93 3pcj h ILE 491 Ca 0.30 -0.74 -0.00 0.00 1.00 0.00 0.00 64.86 65.43 3pcj h ILE 491 Cb 0.24 1.10 -0.00 0.00 -0.74 0.00 0.00 36.82 37.42 3pcj h ILE 491 CO -0.10 0.25 0.06 0.58 0.00 0.00 0.00 178.15 178.94 3pcj h VAL 492 N 0.35 1.06 0.00 1.67 2.07 -1.58 -2.34 116.25 117.49 3pcj h VAL 492 Ca 0.10 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.45 3pcj h VAL 492 Cb 0.30 1.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.06 3pcj h VAL 492 CO 0.00 0.06 0.00 0.29 0.02 0.00 0.00 177.57 177.94 3pcj n LYS 493 N -4.99 0.03 0.30 1.57 5.02 0.14 -1.17 118.16 119.06 3pcj n LYS 493 Ca -0.05 0.33 0.20 0.00 -2.02 0.00 0.00 58.31 56.77 3pcj n LYS 493 Cb 0.05 -1.50 1.04 0.00 -0.02 0.00 0.00 35.03 34.60 3pcj n LYS 493 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3pcj h SER 494 N 0.00 0.00 -3.57 4.39 4.64 -0.73 -3.36 113.55 114.91 3pcj h SER 494 Ca 0.00 0.00 -0.64 0.00 -0.47 0.00 0.00 61.79 60.68 3pcj h SER 494 Cb 0.09 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 62.04 3pcj h SER 494 CO 0.00 0.00 0.13 -0.63 -0.87 0.00 0.00 176.83 175.46 3pcj s ILE 495 N -3.97 4.89 0.19 0.95 1.01 -0.32 -3.76 121.20 120.19 3pcj s ILE 495 Ca -0.03 0.48 -0.10 0.00 0.00 0.00 0.00 60.65 61.00 3pcj s ILE 495 Cb 0.11 -4.09 0.10 0.00 0.01 0.00 0.00 42.46 38.60 3pcj s ILE 495 CO 0.40 -0.36 1.74 0.00 0.00 0.00 0.00 174.94 176.72 3pcj h ALA 496 N 8.54 0.87 -2.43 9.38 0.00 -1.86 -3.43 119.26 130.32 3pcj h ALA 496 Ca -0.26 -0.19 -0.61 0.00 0.00 0.00 0.00 54.91 53.85 3pcj h ALA 496 Cb 1.11 -0.26 -0.11 0.00 0.00 0.00 0.00 17.79 18.53 3pcj h ALA 496 CO 0.84 0.51 0.22 1.21 0.00 0.00 0.00 179.25 182.03 3pcj s ASN 497 N -6.22 6.62 0.34 0.00 3.04 -1.26 -4.96 114.94 112.50 3pcj s ASN 497 Ca -0.13 0.74 0.09 0.00 0.04 0.00 0.00 52.86 53.61 3pcj s ASN 497 Cb 0.14 -2.36 0.81 0.00 -1.54 0.00 0.00 41.25 38.31 3pcj s ASN 497 CO 0.82 -0.41 1.83 1.55 -3.04 0.00 0.00 177.10 177.84 3pcj h PRO 498 N 7.88 0.68 -0.50 0.43 0.13 -2.00 -0.96 132.00 137.66 3pcj h PRO 498 Ca -0.26 -0.04 -0.02 0.00 -0.87 0.00 0.00 66.00 64.81 3pcj h PRO 498 Cb 1.12 -0.15 -0.02 0.00 0.13 0.00 0.00 31.00 32.07 3pcj h PRO 498 CO 0.79 0.45 0.22 0.93 -0.23 0.00 0.00 178.00 180.17 3pcj h GLU 499 N 0.70 0.70 -0.30 0.86 3.07 -1.97 -2.89 114.58 114.75 3pcj h GLU 499 Ca 0.51 -0.09 -0.13 0.00 -0.50 0.00 0.00 59.36 59.15 3pcj h GLU 499 Cb 0.86 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 28.62 3pcj h GLU 499 CO -0.27 0.56 -0.35 0.00 -1.40 0.00 0.00 179.01 177.55 3pcj h ALA 500 N 1.55 0.81 -0.76 3.43 0.00 -1.53 -2.82 119.26 119.94 3pcj h ALA 500 Ca 0.17 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 3pcj h ALA 500 Cb 0.10 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 3pcj h ALA 500 CO -0.02 0.65 0.46 0.28 0.00 0.00 0.00 179.25 180.62 3pcj h VAL 501 N 0.57 1.21 -0.40 0.00 2.07 -1.35 -1.96 116.25 116.39 3pcj h VAL 501 Ca 0.06 -0.46 0.12 0.00 0.82 0.00 0.00 66.70 67.24 3pcj h VAL 501 Cb 0.87 0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 30.77 3pcj h VAL 501 CO 0.08 0.22 0.39 1.56 0.02 0.00 0.00 177.57 179.84 3pcj h GLN 502 N 1.04 0.00 0.00 1.57 1.08 -1.31 -0.17 115.11 117.32 3pcj h GLN 502 Ca 0.27 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.47 3pcj h GLN 502 Cb -0.05 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.38 3pcj h GLN 502 CO -0.05 0.00 0.00 1.96 -0.95 0.00 0.00 178.83 179.79 3pcj h GLN 503 N 0.00 0.00 -0.14 1.46 4.20 -1.34 -3.10 115.11 116.18 3pcj h GLN 503 Ca 0.19 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.90 3pcj h GLN 503 Cb 0.98 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.76 3pcj h GLN 503 CO -0.00 0.00 0.00 1.28 -0.67 0.00 0.00 178.83 179.44 3pcj n LEU 504 N -2.33 2.71 -4.51 1.46 4.77 -0.08 -4.90 117.00 114.13 3pcj n LEU 504 Ca 0.04 -1.01 -0.42 0.00 -0.03 0.00 0.00 56.01 54.58 3pcj n LEU 504 Cb 0.35 -0.08 -0.09 0.00 -2.33 0.00 0.00 43.42 41.27 3pcj n LEU 504 CO 0.26 0.51 0.10 -0.63 -1.33 0.00 0.00 177.39 176.30 3pcj s ILE 505 N -1.84 5.10 0.25 -0.08 1.01 -1.17 -0.71 121.20 123.76 3pcj s ILE 505 Ca 0.33 -0.15 -0.30 0.00 0.00 0.00 0.00 60.65 60.53 3pcj s ILE 505 Cb 0.21 -3.97 -0.09 0.00 0.01 0.00 0.00 42.46 38.61 3pcj s ILE 505 CO 0.31 -0.31 1.17 0.00 0.00 0.00 0.00 174.94 176.11 3pcj s ALA 506 N 2.14 3.44 -0.12 9.38 0.00 0.13 -4.82 121.76 131.91 3pcj s ALA 506 Ca 0.13 0.98 -0.06 0.00 0.00 0.00 0.00 51.96 53.01 3pcj s ALA 506 Cb -0.17 -3.39 -0.04 0.00 0.00 0.00 0.00 23.12 19.53 3pcj s ALA 506 CO 0.13 -0.33 0.09 0.15 0.00 0.00 0.00 175.76 175.80 3pcj s LYS 507 N -1.03 3.41 0.25 0.00 -0.14 -0.92 -1.34 119.74 119.98 3pcj s LYS 507 Ca 0.49 -0.24 -0.31 0.00 -1.36 0.00 0.00 55.97 54.54 3pcj s LYS 507 Cb -0.34 -3.09 -0.13 0.00 -1.68 0.00 0.00 37.83 32.60 3pcj s LYS 507 CO 0.41 0.67 1.50 -0.11 -0.76 0.00 0.00 175.35 177.06 3pcj n LEU 508 N 2.30 3.52 -3.78 3.17 7.94 -1.26 -0.02 117.00 128.86 3pcj n LEU 508 Ca -0.19 1.13 -0.29 0.00 -1.11 0.00 0.00 56.01 55.55 3pcj n LEU 508 Cb 0.54 -1.48 -0.13 0.00 0.53 0.00 0.00 43.42 42.88 3pcj n LEU 508 CO 0.31 -0.25 -0.21 -0.62 -1.11 0.00 0.00 177.39 175.52 3pcj s ASP 509 N 0.45 3.86 0.42 1.96 2.15 0.14 -4.80 116.67 120.86 3pcj s ASP 509 Ca 0.68 -2.90 0.10 0.00 0.43 0.00 0.00 52.55 50.87 3pcj s ASP 509 Cb -0.60 -1.24 0.92 0.00 -0.30 0.00 0.00 42.92 41.70 3pcj s ASP 509 CO 0.47 -0.23 2.01 0.24 -0.17 0.00 0.00 175.17 177.49 3pcj h MET 510 N 6.46 0.26 0.00 4.34 2.86 -1.93 -2.47 114.93 124.45 3pcj h MET 510 Ca 0.00 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.60 3pcj h MET 510 Cb 0.90 -0.05 -0.00 0.00 0.06 0.00 0.00 31.60 32.51 3pcj h MET 510 CO 0.56 0.28 -0.04 -0.91 1.06 0.00 0.00 176.91 177.87 3pcj h ASN 511 N 0.26 0.00 -0.19 1.22 2.35 -1.95 -2.67 115.58 114.61 3pcj h ASN 511 Ca 0.06 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 3pcj h ASN 511 Cb 0.17 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.54 3pcj h ASN 511 CO 0.00 0.04 0.00 -3.20 -1.65 0.00 0.00 177.43 172.62 3pcj n ASN 512 N -3.85 2.61 -4.82 5.81 5.15 -0.94 -4.99 115.26 114.24 3pcj n ASN 512 Ca -0.03 -1.76 -0.33 0.00 -0.60 0.00 0.00 54.58 51.86 3pcj n ASN 512 Cb 0.12 -0.12 -0.04 0.00 -0.53 0.00 0.00 39.78 39.22 3pcj n ASN 512 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3pcj s ALA 513 N -1.14 2.97 -0.45 5.20 0.00 -1.01 -4.72 121.76 122.62 3pcj s ALA 513 Ca 0.22 0.37 -0.14 0.00 0.00 0.00 0.00 51.96 52.41 3pcj s ALA 513 Cb 0.14 -3.17 0.06 0.00 0.00 0.00 0.00 23.12 20.15 3pcj s ALA 513 CO 0.19 -0.23 0.35 -0.80 0.00 0.00 0.00 175.76 175.27 3pcj s ASN 514 N -2.54 6.04 0.15 0.00 0.01 0.49 -5.00 114.94 114.09 3pcj s ASN 514 Ca 0.62 -1.25 -0.33 0.00 -0.71 0.00 0.00 52.86 51.19 3pcj s ASN 514 Cb -0.12 -2.14 -0.17 0.00 0.41 0.00 0.00 41.25 39.23 3pcj s ASN 514 CO 0.24 -0.58 0.94 -2.65 -1.51 0.00 0.00 177.10 173.54 3pcj n PRO 515 N 5.14 0.55 -1.24 -0.60 -0.02 -1.26 -0.23 135.00 137.35 3pcj n PRO 515 Ca -0.12 0.20 -0.08 0.00 -2.02 0.00 0.00 63.50 61.48 3pcj n PRO 515 Cb 0.44 -1.54 -0.04 0.00 -0.02 0.00 0.00 33.50 32.35 3pcj n PRO 515 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 3pcj n MET 516 N 1.40 -1.79 0.00 -0.52 2.81 -1.26 -4.71 117.12 113.05 3pcj n MET 516 Ca 0.17 0.79 0.00 0.00 -1.81 0.00 0.00 57.70 56.85 3pcj n MET 516 Cb 0.21 -5.24 0.00 0.00 -0.71 0.00 0.00 33.22 27.48 3pcj n MET 516 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 3pcj n ASP 517 N -1.15 0.00 -3.65 7.83 2.03 0.68 -5.14 116.55 117.15 3pcj n ASP 517 Ca -0.08 0.00 -0.14 0.00 0.52 0.00 0.00 54.79 55.09 3pcj n ASP 517 Cb 0.57 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.91 3pcj n ASP 517 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3pcj s LEU 519 N -1.81 2.73 -0.02 0.00 1.43 -0.91 -0.38 118.68 119.72 3pcj s LEU 519 Ca -0.07 0.35 -0.06 0.00 -1.03 0.00 0.00 54.13 53.32 3pcj s LEU 519 Cb -0.01 -2.68 0.01 0.00 0.03 0.00 0.00 46.19 43.53 3pcj s LEU 519 CO 0.00 -2.15 0.13 0.00 0.23 0.00 0.00 176.35 174.56 3pcj s ALA 520 N -3.56 -0.30 0.03 4.21 0.00 -1.26 -0.79 121.76 120.09 3pcj s ALA 520 Ca 0.67 0.06 0.08 0.00 0.00 0.00 0.00 51.96 52.77 3pcj s ALA 520 Cb -0.07 -0.04 -0.02 0.00 0.00 0.00 0.00 23.12 22.99 3pcj s ALA 520 CO 0.49 -0.14 -0.23 0.71 0.00 0.00 0.00 175.76 176.58 3pcj s TYR 521 N -0.76 2.02 -0.23 0.00 1.51 0.98 0.29 117.35 121.16 3pcj s TYR 521 Ca -0.08 -0.39 -0.08 0.00 -1.01 0.00 0.00 57.07 55.51 3pcj s TYR 521 Cb -0.05 -1.23 -0.04 0.00 -0.11 0.00 0.00 41.96 40.53 3pcj s TYR 521 CO 0.01 0.07 0.09 0.50 -1.11 0.00 0.00 175.55 175.11 3pcj s ARG 522 N -1.05 3.79 -0.21 -0.62 6.06 0.97 -1.99 118.95 125.90 3pcj s ARG 522 Ca 0.09 -0.42 -0.03 0.00 -2.50 0.00 0.00 55.73 52.88 3pcj s ARG 522 Cb -0.09 -3.34 0.07 0.00 0.06 0.00 0.00 34.95 31.64 3pcj s ARG 522 CO 0.01 -0.05 0.05 0.12 -2.50 0.00 0.00 175.30 172.93 3pcj s PHE 523 N 1.27 1.06 0.00 5.12 5.36 0.89 -2.15 117.98 129.54 3pcj s PHE 523 Ca 0.05 -0.96 -0.06 0.00 -0.96 0.00 0.00 56.93 55.00 3pcj s PHE 523 Cb -0.15 -1.10 -0.05 0.00 -0.34 0.00 0.00 43.02 41.39 3pcj s PHE 523 CO 0.04 -0.66 0.25 -0.51 -1.46 0.00 0.00 175.22 172.88 3pcj s ASP 524 N 1.84 6.46 -0.06 6.13 1.01 -1.26 -3.92 116.67 126.88 3pcj s ASP 524 Ca 0.01 0.51 0.06 0.00 0.71 0.00 0.00 52.55 53.83 3pcj s ASP 524 Cb -0.17 -2.07 -0.01 0.00 1.01 0.00 0.00 42.92 41.68 3pcj s ASP 524 CO -0.12 0.25 -0.24 -0.63 0.21 0.00 0.00 175.17 174.65 3pcj s ILE 525 N -1.31 1.97 -0.23 0.77 1.01 -0.00 -4.93 121.20 118.48 3pcj s ILE 525 Ca 0.27 -1.01 -0.02 0.00 0.00 0.00 0.00 60.65 59.89 3pcj s ILE 525 Cb -0.13 -1.68 0.01 0.00 0.01 0.00 0.00 42.46 40.68 3pcj s ILE 525 CO 0.17 0.55 -0.07 -0.69 0.00 0.00 0.00 174.94 174.90 3pcj s VAL 526 N -0.06 2.96 0.33 2.92 1.01 -1.25 -1.33 120.40 124.98 3pcj s VAL 526 Ca -0.06 -0.85 0.05 0.00 0.00 0.00 0.00 61.98 61.13 3pcj s VAL 526 Cb -0.14 -2.43 -0.01 0.00 0.00 0.00 0.00 36.38 33.79 3pcj s VAL 526 CO 0.04 0.30 0.48 -0.76 0.00 0.00 0.00 175.10 175.16 3pcj s LEU 527 N 1.37 4.00 0.26 3.92 1.43 0.46 -4.91 118.68 125.21 3pcj s LEU 527 Ca 0.02 -0.04 -0.28 0.00 -1.03 0.00 0.00 54.13 52.80 3pcj s LEU 527 Cb -0.15 -2.86 -0.15 0.00 0.03 0.00 0.00 46.19 43.06 3pcj s LEU 527 CO -0.05 -0.39 0.92 0.54 0.23 0.00 0.00 176.35 177.60 3pcj n ARG 528 N -1.66 1.07 -2.13 1.70 1.74 -1.26 -0.69 116.66 115.42 3pcj n ARG 528 Ca -0.02 0.37 -0.41 0.00 -0.77 0.00 0.00 57.85 57.03 3pcj n ARG 528 Cb 0.58 -1.68 -0.02 0.00 -1.02 0.00 0.00 32.46 30.32 3pcj n ARG 528 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 3pcj s GLY 529 N -0.61 2.85 -0.19 -0.13 0.00 -1.26 -4.19 107.32 103.79 3pcj s GLY 529 Ca 0.61 1.24 -0.04 0.00 0.00 0.00 0.00 44.72 46.52 3pcj s GLY 529 CO 0.59 1.96 -0.02 1.62 0.00 0.00 0.00 173.10 177.25 3pcj s GLN 530 N -1.40 3.60 0.18 2.90 0.74 -1.26 -1.06 119.66 123.36 3pcj s GLN 530 Ca 0.51 -0.54 0.04 0.00 0.05 0.00 0.00 55.36 55.42 3pcj s GLN 530 Cb -0.39 -3.01 -0.05 0.00 1.10 0.00 0.00 33.01 30.66 3pcj s GLN 530 CO 0.49 0.06 -0.06 -0.98 -0.55 0.00 0.00 175.29 174.26 3pcj s ARG 531 N 0.85 1.18 0.35 1.67 1.70 -0.08 -4.98 118.95 119.63 3pcj s ARG 531 Ca -0.00 -1.55 -0.25 0.00 -0.47 0.00 0.00 55.73 53.46 3pcj s ARG 531 Cb -0.14 -0.62 -0.10 0.00 -0.57 0.00 0.00 34.95 33.52 3pcj s ARG 531 CO 0.02 0.00 0.97 -1.59 -1.08 0.00 0.00 175.30 173.62 3pcj s LYS 532 N -3.80 4.47 0.82 3.89 -2.85 -1.26 -0.98 119.74 120.03 3pcj s LYS 532 Ca 0.22 1.35 -0.11 0.00 -1.00 0.00 0.00 55.97 56.43 3pcj s LYS 532 Cb 0.04 -2.69 0.09 0.00 -2.06 0.00 0.00 37.83 33.20 3pcj s LYS 532 CO 0.04 0.16 1.10 0.95 0.10 0.00 0.00 175.35 177.70 3pcj s THR 533 N -1.68 3.03 -0.18 3.79 -4.23 -1.18 -4.76 115.64 110.43 3pcj s THR 533 Ca 0.53 0.33 -0.24 0.00 -1.18 0.00 0.00 61.69 61.13 3pcj s THR 533 Cb -0.18 -2.76 0.06 0.00 1.34 0.00 0.00 72.50 70.95 3pcj s THR 533 CO 0.24 -0.44 0.63 -1.38 -0.54 0.00 0.00 174.62 173.13 3pcj s HIS 534 N -2.88 -0.66 -1.60 3.99 -3.43 -1.26 -4.95 115.29 104.50 3pcj s HIS 534 Ca 0.62 1.50 -0.19 0.00 -0.80 0.00 0.00 55.06 56.20 3pcj s HIS 534 Cb -0.18 0.27 0.17 0.00 -1.43 0.00 0.00 32.58 31.41 3pcj s HIS 534 CO 0.57 -0.40 0.61 1.19 -2.00 0.00 0.00 174.74 174.70 3pcj n PHE 535 N 2.24 -1.51 1.22 0.38 3.72 -1.26 -5.24 117.46 117.00 3pcj n PHE 535 Ca -0.15 0.65 0.13 0.00 -0.05 0.00 0.00 57.45 58.02 3pcj n PHE 535 Cb 0.56 -2.30 0.28 0.00 -0.94 0.00 0.00 39.48 37.09 3pcj n PHE 535 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10