#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 1.96 0.02 0.55 0.00 -1.26 -5.04 121.76 117.99 3pcj s ALA 302 Ca 0.00 0.47 0.02 0.00 0.00 0.00 0.00 51.96 52.45 3pcj s ALA 302 Cb 0.00 -3.36 -0.01 0.00 0.00 0.00 0.00 23.12 19.74 3pcj s ALA 302 CO 0.00 -2.12 -0.07 -0.65 0.00 0.00 0.00 175.76 172.92 3pcj s GLN 303 N -4.66 0.51 -1.09 0.00 -0.21 -1.26 -5.09 119.66 107.86 3pcj s GLN 303 Ca 0.65 -0.46 -0.22 0.00 0.02 0.00 0.00 55.36 55.35 3pcj s GLN 303 Cb -0.21 -0.40 -0.00 0.00 1.00 0.00 0.00 33.01 33.40 3pcj s GLN 303 CO 0.55 0.10 1.76 0.34 -2.12 0.00 0.00 175.29 175.91 3pcj s ASP 304 N -0.77 5.87 0.00 5.90 2.15 -1.26 -4.62 116.67 123.94 3pcj s ASP 304 Ca -0.03 -1.50 0.00 0.00 0.43 0.00 0.00 52.55 51.45 3pcj s ASP 304 Cb -0.06 -2.57 0.00 0.00 -0.30 0.00 0.00 42.92 39.99 3pcj s ASP 304 CO 0.00 -2.13 0.16 -0.46 -0.17 0.00 0.00 175.17 172.57 3pcj n ASN 305 N 11.42 0.32 -4.65 -0.34 0.23 -1.26 -5.00 115.26 115.98 3pcj n ASN 305 Ca 0.41 -0.65 -0.25 0.00 -0.53 0.00 0.00 54.58 53.56 3pcj n ASN 305 Cb 0.48 0.64 -0.09 0.00 -2.08 0.00 0.00 39.78 38.73 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 -0.64 4.18 0.03 0.53 0.01 -1.26 -3.39 113.70 113.16 3pcj s SER 306 Ca 0.00 -1.06 0.03 0.00 1.31 0.00 0.00 55.95 56.24 3pcj s SER 306 Cb 0.00 -0.50 -0.02 0.00 0.21 0.00 0.00 66.02 65.71 3pcj s SER 306 CO 0.00 -0.32 -0.11 -0.13 0.41 0.00 0.00 173.24 173.09 3pcj s ARG 307 N -3.75 0.73 0.00 12.44 1.81 0.12 -4.81 118.95 125.49 3pcj s ARG 307 Ca 0.36 -0.64 0.06 0.00 -1.72 0.00 0.00 55.73 53.79 3pcj s ARG 307 Cb 0.02 -0.67 -0.03 0.00 -0.45 0.00 0.00 34.95 33.82 3pcj s ARG 307 CO 0.20 0.16 -0.18 -0.06 -0.68 0.00 0.00 175.30 174.74 3pcj s PHE 308 N -0.84 2.58 0.18 -0.53 0.40 -1.26 -0.61 117.98 117.90 3pcj s PHE 308 Ca -0.01 -0.25 -0.32 0.00 -0.60 0.00 0.00 56.93 55.75 3pcj s PHE 308 Cb -0.07 -1.53 -0.11 0.00 0.51 0.00 0.00 43.02 41.82 3pcj s PHE 308 CO 0.01 0.19 1.69 0.08 0.70 0.00 0.00 175.22 177.89 3pcj s VAL 309 N -0.82 2.27 0.41 -0.44 1.01 -0.55 -4.92 120.40 117.35 3pcj s VAL 309 Ca 0.13 0.15 -0.24 0.00 0.00 0.00 0.00 61.98 62.02 3pcj s VAL 309 Cb -0.10 -3.10 -0.11 0.00 0.00 0.00 0.00 36.38 33.07 3pcj s VAL 309 CO 0.03 0.01 0.91 -0.38 0.00 0.00 0.00 175.10 175.66 3pcj n ILE 310 N 4.09 2.28 -2.07 2.22 2.08 -1.26 -4.74 119.36 121.96 3pcj n ILE 310 Ca 0.16 -0.50 -0.32 0.00 0.56 0.00 0.00 62.75 62.64 3pcj n ILE 310 Cb 0.37 -0.99 0.00 0.00 -0.75 0.00 0.00 39.64 38.27 3pcj n ILE 310 CO 0.00 0.00 0.00 -0.13 0.56 0.00 0.00 176.55 176.98 3pcj s ARG 311 N -1.87 3.42 -0.61 0.38 0.52 -1.26 -5.01 118.95 114.53 3pcj s ARG 311 Ca 0.63 1.12 -0.14 0.00 -0.52 0.00 0.00 55.73 56.82 3pcj s ARG 311 Cb -0.59 -2.05 0.15 0.00 0.52 0.00 0.00 34.95 32.98 3pcj s ARG 311 CO 0.57 -0.72 0.54 0.34 0.02 0.00 0.00 175.30 176.05 3pcj s ASP 312 N -2.98 6.21 0.00 0.23 -1.08 -1.26 -4.91 116.67 112.88 3pcj s ASP 312 Ca 0.62 -2.09 0.05 0.00 -0.52 0.00 0.00 52.55 50.60 3pcj s ASP 312 Cb -0.14 -2.16 0.27 0.00 -1.46 0.00 0.00 42.92 39.43 3pcj s ASP 312 CO 0.38 -0.74 0.99 0.54 0.52 0.00 0.00 175.17 176.86 3pcj n ARG 313 N 4.78 0.80 -0.00 4.34 1.74 -1.26 -1.67 116.66 125.39 3pcj n ARG 313 Ca -0.05 0.00 0.06 0.00 -0.77 0.00 0.00 57.85 57.09 3pcj n ARG 313 Cb 0.42 -1.09 -0.07 0.00 -1.02 0.00 0.00 32.46 30.70 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 -0.59 0.74 -0.08 0.55 3.02 -1.26 -4.47 115.26 113.18 3pcj n ASN 314 Ca 0.03 -0.71 -0.21 0.00 -0.03 0.00 0.00 54.58 53.66 3pcj n ASN 314 Cb 0.02 1.06 -0.12 0.00 -0.61 0.00 0.00 39.78 40.13 3pcj n ASN 314 CO 0.00 0.00 0.00 -0.25 -2.62 0.00 0.00 177.26 174.39 3pcj h TRP 315 N 0.00 0.10 -4.26 3.10 2.91 -1.74 -3.44 115.95 112.63 3pcj h TRP 315 Ca 0.00 -0.08 -0.50 0.00 1.13 0.00 0.00 58.89 59.44 3pcj h TRP 315 Cb 0.32 -0.00 0.09 0.00 -0.51 0.00 0.00 29.16 29.06 3pcj h TRP 315 CO 0.00 1.49 0.37 -1.01 -1.03 0.00 0.00 178.44 178.26 3pcj s HIS 316 N -2.38 2.93 0.57 2.65 3.76 -1.06 -4.68 115.29 117.08 3pcj s HIS 316 Ca -0.26 1.49 -0.20 0.00 -0.15 0.00 0.00 55.06 55.94 3pcj s HIS 316 Cb 0.05 -2.99 -0.04 0.00 1.11 0.00 0.00 32.58 30.71 3pcj s HIS 316 CO 0.64 -1.30 1.27 -1.25 -0.85 0.00 0.00 174.74 173.24 3pcj s PRO 317 N -4.48 3.03 0.73 8.40 0.04 -1.26 -4.77 135.00 136.69 3pcj s PRO 317 Ca 0.62 2.00 -0.11 0.00 0.04 0.00 0.00 61.00 63.55 3pcj s PRO 317 Cb -0.16 -2.07 0.04 0.00 0.04 0.00 0.00 34.50 32.35 3pcj s PRO 317 CO 0.45 -1.21 1.11 0.15 0.04 0.00 0.00 177.00 177.54 3pcj s LYS 318 N -3.13 2.51 0.05 4.56 -0.14 -1.24 -4.96 119.74 117.37 3pcj s LYS 318 Ca 0.75 0.25 -0.25 0.00 -1.36 0.00 0.00 55.97 55.36 3pcj s LYS 318 Cb -0.35 -2.03 -0.17 0.00 -1.68 0.00 0.00 37.83 33.61 3pcj s LYS 318 CO 0.39 -1.22 1.52 0.00 -0.76 0.00 0.00 175.35 175.28 3pcj h ALA 319 N -0.75 -0.18 -2.44 5.17 0.00 -1.95 -3.40 119.26 115.71 3pcj h ALA 319 Ca -0.45 -0.12 -0.70 0.00 0.00 0.00 0.00 54.91 53.64 3pcj h ALA 319 Cb 1.28 0.07 -0.20 0.00 0.00 0.00 0.00 17.79 18.95 3pcj h ALA 319 CO 0.64 -0.51 -0.30 -1.17 0.00 0.00 0.00 179.25 177.91 3pcj s LEU 320 N -9.82 4.95 -0.40 0.00 2.96 -1.26 -4.78 118.68 110.33 3pcj s LEU 320 Ca -0.14 -0.75 0.01 0.00 -0.22 0.00 0.00 54.13 53.03 3pcj s LEU 320 Cb 0.04 -2.29 0.14 0.00 0.50 0.00 0.00 46.19 44.58 3pcj s LEU 320 CO 0.64 -0.52 0.22 0.42 -1.32 0.00 0.00 176.35 175.79 3pcj s THR 321 N 1.94 0.88 0.41 3.68 -4.23 -1.26 -5.05 115.64 112.02 3pcj s THR 321 Ca 0.09 -2.18 0.23 0.00 -1.18 0.00 0.00 61.69 58.65 3pcj s THR 321 Cb -0.18 -1.63 0.43 0.00 1.34 0.00 0.00 72.50 72.46 3pcj s THR 321 CO 0.12 -0.93 1.71 -0.65 -0.54 0.00 0.00 174.62 174.34 3pcj h PRO 322 N 6.89 0.26 0.00 3.99 0.11 -1.94 0.49 132.00 141.80 3pcj h PRO 322 Ca 0.01 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.09 3pcj h PRO 322 Cb 0.95 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.00 3pcj h PRO 322 CO 0.39 0.17 -0.08 -0.44 -0.21 0.00 0.00 178.00 177.83 3pcj h ASP 323 N 0.27 0.00 -3.43 -2.05 3.32 -1.96 -3.21 116.42 109.35 3pcj h ASP 323 Ca 0.68 0.00 -0.78 0.00 0.02 0.00 0.00 57.03 56.95 3pcj h ASP 323 Cb 1.92 0.00 -0.25 0.00 0.22 0.00 0.00 39.33 41.22 3pcj h ASP 323 CO -0.34 0.08 0.42 -0.47 -1.72 0.00 0.00 179.24 177.21 3pcj s TYR 324 N -4.13 3.86 0.26 4.55 5.04 0.16 -4.85 117.35 122.24 3pcj s TYR 324 Ca -0.03 -2.20 -0.07 0.00 -2.44 0.00 0.00 57.07 52.33 3pcj s TYR 324 Cb 0.13 -3.92 0.43 0.00 0.35 0.00 0.00 41.96 38.95 3pcj s TYR 324 CO 0.55 -1.07 1.46 1.63 -1.34 0.00 0.00 175.55 176.79 3pcj n LYS 325 N 3.93 -0.08 0.15 4.97 5.02 -1.21 -1.39 118.16 129.54 3pcj n LYS 325 Ca 0.21 1.46 0.06 0.00 -2.02 0.00 0.00 58.31 58.02 3pcj n LYS 325 Cb 0.44 -2.18 0.54 0.00 -0.02 0.00 0.00 35.03 33.81 3pcj n LYS 325 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 3pcj h THR 326 N 0.00 1.05 0.00 -0.18 2.02 -1.91 -2.36 112.91 111.52 3pcj h THR 326 Ca 0.45 -0.09 -0.00 0.00 0.77 0.00 0.00 66.41 67.54 3pcj h THR 326 Cb 0.69 0.79 -0.00 0.00 -1.74 0.00 0.00 68.15 67.88 3pcj h THR 326 CO -0.96 0.05 -0.00 0.77 0.37 0.00 0.00 175.52 175.74 3pcj h SER 327 N 0.24 0.00 -0.26 4.18 4.64 -1.52 -3.18 113.55 117.66 3pcj h SER 327 Ca 0.07 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.44 3pcj h SER 327 Cb -0.02 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.01 3pcj h SER 327 CO -0.01 0.00 -0.09 0.40 -0.87 0.00 0.00 176.83 176.26 3pcj h ILE 328 N 0.00 0.68 -0.01 0.95 2.04 -1.56 -2.98 117.51 116.63 3pcj h ILE 328 Ca -0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 3pcj h ILE 328 Cb 0.01 0.68 0.00 0.00 -0.74 0.00 0.00 36.82 36.77 3pcj h ILE 328 CO 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 178.15 177.76 3pcj n ALA 329 N -2.55 3.37 -1.68 1.87 0.00 -1.23 -4.22 120.51 116.08 3pcj n ALA 329 Ca -0.01 -0.48 -0.12 0.00 0.00 0.00 0.00 53.44 52.83 3pcj n ALA 329 Cb 0.18 -1.02 0.13 0.00 0.00 0.00 0.00 19.45 18.74 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 -0.62 2.48 -4.30 0.00 1.74 -1.14 -4.95 116.66 109.87 3pcj n ARG 330 Ca 0.10 -3.57 -0.21 0.00 -0.77 0.00 0.00 57.85 53.39 3pcj n ARG 330 Cb 0.38 -1.98 -0.16 0.00 -1.02 0.00 0.00 32.46 29.67 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 -3.00 1.22 0.59 0.55 1.04 -1.15 -4.93 113.70 108.02 3pcj s SER 331 Ca 0.47 -0.19 -0.19 0.00 0.48 0.00 0.00 55.95 56.53 3pcj s SER 331 Cb 0.41 -0.57 -0.04 0.00 0.10 0.00 0.00 66.02 65.92 3pcj s SER 331 CO -0.00 -0.02 1.20 -2.16 0.98 0.00 0.00 173.24 173.23 3pcj s PRO 332 N 0.83 3.01 -0.05 4.02 0.05 -1.26 -4.95 135.00 136.65 3pcj s PRO 332 Ca -0.12 1.80 0.19 0.00 0.05 0.00 0.00 61.00 62.92 3pcj s PRO 332 Cb -0.15 -1.94 -0.30 0.00 0.05 0.00 0.00 34.50 32.17 3pcj s PRO 332 CO 0.01 -1.17 0.38 0.54 0.05 0.00 0.00 177.00 176.82 3pcj n ARG 333 N -1.57 0.65 -2.33 4.56 5.12 -1.26 -4.92 116.66 116.91 3pcj n ARG 333 Ca 0.13 -0.16 -0.28 0.00 -1.93 0.00 0.00 57.85 55.61 3pcj n ARG 333 Cb 0.50 -1.47 0.02 0.00 -1.16 0.00 0.00 32.46 30.34 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 -3.25 3.31 0.60 5.56 -1.52 -1.26 -5.05 119.66 118.05 3pcj s GLN 334 Ca -0.07 0.28 -0.14 0.00 -1.95 0.00 0.00 55.36 53.47 3pcj s GLN 334 Cb 0.12 -2.25 -0.03 0.00 -0.22 0.00 0.00 33.01 30.62 3pcj s GLN 334 CO 0.81 -0.51 1.04 0.00 -0.25 0.00 0.00 175.29 176.39 3pcj s ALA 335 N -2.96 2.81 0.70 6.09 0.00 -1.26 -5.02 121.76 122.12 3pcj s ALA 335 Ca 0.52 0.25 -0.12 0.00 0.00 0.00 0.00 51.96 52.60 3pcj s ALA 335 Cb -0.11 -3.19 0.02 0.00 0.00 0.00 0.00 23.12 19.85 3pcj s ALA 335 CO 0.47 -0.79 1.09 -0.51 0.00 0.00 0.00 175.76 176.03 3pcj s LEU 336 N -4.71 3.21 -0.24 0.00 1.43 -1.26 -5.00 118.68 112.11 3pcj s LEU 336 Ca 0.61 1.84 -0.08 0.00 -1.03 0.00 0.00 54.13 55.46 3pcj s LEU 336 Cb -0.14 -4.53 -0.04 0.00 0.03 0.00 0.00 46.19 41.52 3pcj s LEU 336 CO 0.41 -1.71 0.10 -0.69 0.23 0.00 0.00 176.35 174.69 3pcj s VAL 337 N -2.71 4.68 0.00 -1.59 1.01 -1.26 -5.07 120.40 115.46 3pcj s VAL 337 Ca 0.63 -0.05 -0.30 0.00 0.00 0.00 0.00 61.98 62.26 3pcj s VAL 337 Cb -0.17 -3.19 -0.03 0.00 0.00 0.00 0.00 36.38 32.99 3pcj s VAL 337 CO 0.49 0.34 0.96 -0.44 0.00 0.00 0.00 175.10 176.46 3pcj s SER 338 N 1.38 7.36 0.13 3.32 0.01 -1.26 -5.05 113.70 119.59 3pcj s SER 338 Ca 0.06 1.64 0.08 0.00 1.31 0.00 0.00 55.95 59.04 3pcj s SER 338 Cb -0.15 -2.56 -0.04 0.00 0.21 0.00 0.00 66.02 63.48 3pcj s SER 338 CO 0.05 -0.24 -0.19 0.27 0.41 0.00 0.00 173.24 173.54 3pcj s ILE 339 N 0.93 1.73 0.67 1.44 -4.36 -1.26 -5.13 121.20 115.21 3pcj s ILE 339 Ca 0.51 -1.72 -0.15 0.00 -0.26 0.00 0.00 60.65 59.03 3pcj s ILE 339 Cb -0.21 -1.68 0.00 0.00 1.25 0.00 0.00 42.46 41.83 3pcj s ILE 339 CO 0.28 -0.20 1.12 -2.16 0.24 0.00 0.00 174.94 174.21 3pcj s PRO 340 N -2.35 2.75 0.32 0.37 0.04 -1.26 -4.99 135.00 129.87 3pcj s PRO 340 Ca 0.11 1.41 -0.27 0.00 0.04 0.00 0.00 61.00 62.29 3pcj s PRO 340 Cb -0.08 -1.94 -0.09 0.00 0.04 0.00 0.00 34.50 32.43 3pcj s PRO 340 CO 0.05 -1.30 0.99 -0.65 0.04 0.00 0.00 177.00 176.14 3pcj s GLN 341 N -4.09 4.53 0.30 4.56 -0.21 -1.26 -5.01 119.66 118.48 3pcj s GLN 341 Ca 0.67 1.47 0.03 0.00 0.02 0.00 0.00 55.36 57.55 3pcj s GLN 341 Cb -0.21 -2.86 -0.03 0.00 1.00 0.00 0.00 33.01 30.91 3pcj s GLN 341 CO 0.42 0.20 0.27 -1.54 -2.12 0.00 0.00 175.29 172.53 3pcj s SER 342 N -1.43 1.12 0.58 5.90 1.04 -1.26 -5.02 113.70 114.64 3pcj s SER 342 Ca 0.50 -1.60 0.28 0.00 0.48 0.00 0.00 55.95 55.61 3pcj s SER 342 Cb -0.22 0.53 1.68 0.00 0.10 0.00 0.00 66.02 68.10 3pcj s SER 342 CO 0.28 -1.04 2.15 -0.29 0.98 0.00 0.00 173.24 175.32 3pcj h ILE 343 N 2.26 0.52 -0.31 -1.02 2.10 -1.95 -0.15 117.51 118.97 3pcj h ILE 343 Ca -0.28 0.00 -0.01 0.00 1.08 0.00 0.00 64.86 65.64 3pcj h ILE 343 Cb 1.24 0.89 -0.01 0.00 -1.09 0.00 0.00 36.82 37.84 3pcj h ILE 343 CO 0.41 0.00 0.14 0.28 -1.08 0.00 0.00 178.15 177.90 3pcj h SER 344 N 0.00 0.41 0.83 2.19 0.02 -1.95 -3.08 113.55 111.98 3pcj h SER 344 Ca 0.06 -0.14 -0.22 0.00 -0.84 0.00 0.00 61.79 60.65 3pcj h SER 344 Cb 0.34 -0.11 -0.04 0.00 0.14 0.00 0.00 62.40 62.73 3pcj h SER 344 CO -0.00 0.44 -1.26 -0.33 -1.14 0.00 0.00 176.83 174.54 3pcj h GLU 345 N 0.36 0.00 -0.31 3.45 3.07 -1.64 -3.38 114.58 116.13 3pcj h GLU 345 Ca 0.10 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.96 3pcj h GLU 345 Cb 0.14 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.05 3pcj h GLU 345 CO -0.01 0.64 0.00 0.25 -1.40 0.00 0.00 179.01 178.49 3pcj n THR 346 N -3.15 0.41 -4.46 1.13 -2.24 -0.18 -2.98 114.28 102.81 3pcj n THR 346 Ca -0.07 -0.50 -0.26 0.00 -2.27 0.00 0.00 64.05 60.95 3pcj n THR 346 Cb 0.94 0.40 -0.10 0.00 -2.10 0.00 0.00 70.33 69.47 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 -1.59 2.27 0.03 4.28 -4.23 -1.16 -4.72 115.64 110.52 3pcj s THR 347 Ca 0.31 -2.02 -0.29 0.00 -1.18 0.00 0.00 61.69 58.52 3pcj s THR 347 Cb 0.17 -2.84 0.10 0.00 1.34 0.00 0.00 72.50 71.26 3pcj s THR 347 CO 0.24 -0.11 1.12 -0.83 -0.54 0.00 0.00 174.62 174.50 3pcj s GLY 348 N -3.71 -0.34 0.63 3.99 0.00 -1.24 -1.64 107.32 105.01 3pcj s GLY 348 Ca 0.35 0.60 -0.15 0.00 0.00 0.00 0.00 44.72 45.52 3pcj s GLY 348 CO 0.18 0.14 1.08 2.56 0.00 0.00 0.00 173.10 177.07 3pcj s PRO 349 N -2.80 3.05 -0.17 2.90 0.04 -1.26 -4.89 135.00 131.87 3pcj s PRO 349 Ca 0.12 1.29 0.01 0.00 0.04 0.00 0.00 61.00 62.47 3pcj s PRO 349 Cb 0.01 -1.99 0.01 0.00 0.04 0.00 0.00 34.50 32.58 3pcj s PRO 349 CO -0.02 -1.04 -0.20 1.21 0.04 0.00 0.00 177.00 176.99 3pcj s ASN 350 N -2.71 3.21 -0.22 6.66 3.84 -1.26 -4.91 114.94 119.56 3pcj s ASN 350 Ca 0.65 -0.61 0.12 0.00 0.21 0.00 0.00 52.86 53.23 3pcj s ASN 350 Cb -0.18 -1.49 0.72 0.00 -0.55 0.00 0.00 41.25 39.75 3pcj s ASN 350 CO 0.40 0.03 1.61 0.49 -2.79 0.00 0.00 177.10 176.84 3pcj n PHE 351 N 4.43 1.88 -0.35 0.43 3.72 -1.26 -4.55 117.46 121.75 3pcj n PHE 351 Ca -0.20 -0.68 0.12 0.00 -0.05 0.00 0.00 57.45 56.64 3pcj n PHE 351 Cb 0.51 -0.48 0.31 0.00 -0.94 0.00 0.00 39.48 38.87 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 3.44 0.81 -0.35 4.37 0.02 -1.95 0.22 113.55 120.10 3pcj h SER 352 Ca 0.02 0.09 0.00 0.00 -0.84 0.00 0.00 61.79 61.06 3pcj h SER 352 Cb 1.84 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 64.32 3pcj h SER 352 CO 0.46 0.32 0.00 1.41 -1.14 0.00 0.00 176.83 177.88 3pcj n HIS 353 N -4.73 0.82 -2.40 3.45 8.25 -1.26 -4.90 115.22 114.44 3pcj n HIS 353 Ca 0.22 -0.32 -0.39 0.00 -0.26 0.00 0.00 57.72 56.97 3pcj n HIS 353 Cb 0.53 -0.16 -0.03 0.00 1.12 0.00 0.00 29.99 31.45 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 -1.23 4.30 -0.72 2.41 2.96 0.06 -4.94 118.68 121.53 3pcj s LEU 354 Ca 0.28 2.27 -0.20 0.00 -0.22 0.00 0.00 54.13 56.25 3pcj s LEU 354 Cb 0.18 -3.92 0.10 0.00 0.50 0.00 0.00 46.19 43.05 3pcj s LEU 354 CO 0.13 -0.46 0.92 -0.83 -1.32 0.00 0.00 176.35 174.79 3pcj s GLY 355 N -1.12 1.69 -0.03 7.98 0.00 -1.26 -5.01 107.32 109.56 3pcj s GLY 355 Ca 0.53 -2.26 -0.21 0.00 0.00 0.00 0.00 44.72 42.78 3pcj s GLY 355 CO 0.37 1.87 0.60 -1.36 0.00 0.00 0.00 173.10 174.58 3pcj s PHE 356 N 3.13 3.64 0.77 1.90 0.08 -1.26 -5.07 117.98 121.17 3pcj s PHE 356 Ca 0.21 1.16 -0.11 0.00 0.12 0.00 0.00 56.93 58.32 3pcj s PHE 356 Cb -0.16 -2.64 0.05 0.00 -0.57 0.00 0.00 43.02 39.71 3pcj s PHE 356 CO 0.03 0.27 1.09 0.20 -0.10 0.00 0.00 175.22 176.71 3pcj s GLY 357 N 0.12 1.67 0.35 4.36 0.00 -1.26 -4.93 107.32 107.63 3pcj s GLY 357 Ca 0.32 0.23 0.03 0.00 0.00 0.00 0.00 44.72 45.30 3pcj s GLY 357 CO 0.16 0.58 2.00 0.00 0.00 0.00 0.00 173.10 175.84 3pcj h ALA 358 N -1.10 1.59 -0.33 3.20 0.00 -2.03 -2.74 119.26 117.85 3pcj h ALA 358 Ca -0.44 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.33 3pcj h ALA 358 Cb 1.23 -0.24 -0.06 0.00 0.00 0.00 0.00 17.79 18.72 3pcj h ALA 358 CO 0.52 0.35 -0.01 0.72 0.00 0.00 0.00 179.25 180.84 3pcj n HIS 359 N -4.45 1.09 -0.20 0.00 8.25 -1.26 -4.75 115.22 113.90 3pcj n HIS 359 Ca 0.08 -1.25 0.15 0.00 -0.26 0.00 0.00 57.72 56.44 3pcj n HIS 359 Cb 0.09 -0.42 0.48 0.00 1.12 0.00 0.00 29.99 31.26 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 1.36 0.45 -0.55 0.41 3.32 -1.78 -1.60 116.42 118.03 3pcj h ASP 360 Ca 0.13 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.21 3pcj h ASP 360 Cb 1.60 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 41.09 3pcj h ASP 360 CO 0.34 0.22 0.00 0.00 -1.72 0.00 0.00 179.24 178.08 3pcj n HIS 361 N -4.50 0.83 -3.94 4.55 1.44 -1.20 -2.18 115.22 110.21 3pcj n HIS 361 Ca 0.16 -0.53 -0.32 0.00 -2.01 0.00 0.00 57.72 55.02 3pcj n HIS 361 Cb 0.55 -0.05 -0.14 0.00 0.12 0.00 0.00 29.99 30.47 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 -1.03 4.77 0.08 4.39 2.15 -0.60 -2.03 116.67 124.41 3pcj s ASP 362 Ca 0.38 -2.42 0.19 0.00 0.43 0.00 0.00 52.55 51.14 3pcj s ASP 362 Cb 0.21 -1.68 0.80 0.00 -0.30 0.00 0.00 42.92 41.95 3pcj s ASP 362 CO 0.24 -0.37 1.60 0.18 -0.17 0.00 0.00 175.17 176.66 3pcj n LEU 363 N 3.95 0.23 0.08 -1.34 4.32 0.73 -1.08 117.00 123.89 3pcj n LEU 363 Ca 0.04 0.55 0.13 0.00 -0.02 0.00 0.00 56.01 56.71 3pcj n LEU 363 Cb 0.39 -0.51 0.43 0.00 -1.62 0.00 0.00 43.42 42.10 3pcj n LEU 363 CO 0.28 -0.30 0.86 0.18 -1.22 0.00 0.00 177.39 177.18 3pcj n LEU 364 N -1.75 0.66 0.00 2.23 4.32 -1.24 -4.34 117.00 116.88 3pcj n LEU 364 Ca 0.04 0.53 0.00 0.00 -0.02 0.00 0.00 56.01 56.56 3pcj n LEU 364 Cb 0.22 -0.34 0.00 0.00 -1.62 0.00 0.00 43.42 41.68 3pcj n LEU 364 CO 0.18 -0.14 -0.06 0.18 -1.22 0.00 0.00 177.39 176.33 3pcj n LEU 365 N -2.10 0.00 -0.00 2.23 4.77 -0.89 -4.56 117.00 116.44 3pcj n LEU 365 Ca 0.06 -0.10 0.11 0.00 -0.03 0.00 0.00 56.01 56.04 3pcj n LEU 365 Cb 0.41 0.00 0.64 0.00 -2.33 0.00 0.00 43.42 42.14 3pcj n LEU 365 CO 0.30 0.00 0.91 -0.46 -1.33 0.00 0.00 177.39 176.81 3pcj n ASN 366 N -0.38 0.00 0.03 -1.43 0.23 -0.24 -5.04 115.26 108.42 3pcj n ASN 366 Ca 0.00 -1.33 0.00 0.00 -0.53 0.00 0.00 54.58 52.72 3pcj n ASN 366 Cb 0.00 -0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.70 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 -0.83 -0.09 0.00 -2.53 7.35 -1.26 -4.98 117.46 115.12 3pcj n PHE 367 Ca 0.16 0.02 0.00 0.00 -0.76 0.00 0.00 57.45 56.87 3pcj n PHE 367 Cb 0.07 0.04 0.00 0.00 0.35 0.00 0.00 39.48 39.94 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 3.37 0.00 3.89 7.13 0.00 -1.26 -4.59 105.19 113.72 3pcj n GLY 371 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 3pcj n GLY 371 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3pcj s LEU 372 N 0.00 4.33 0.76 0.99 2.96 -1.26 -4.83 118.68 121.62 3pcj s LEU 372 Ca 0.00 0.35 -0.15 0.00 -0.22 0.00 0.00 54.13 54.12 3pcj s LEU 372 Cb 0.00 -2.46 0.05 0.00 0.50 0.00 0.00 46.19 44.28 3pcj s LEU 372 CO 0.00 0.30 1.24 -2.84 -1.32 0.00 0.00 176.35 173.72 3pcj s PRO 373 N -1.72 1.92 0.00 0.98 0.02 -1.26 -4.84 135.00 130.11 3pcj s PRO 373 Ca 0.24 1.87 -0.17 0.00 0.02 0.00 0.00 61.00 62.97 3pcj s PRO 373 Cb -0.12 -1.79 -0.06 0.00 0.02 0.00 0.00 34.50 32.54 3pcj s PRO 373 CO 0.15 -2.03 0.48 0.42 -0.33 0.00 0.00 177.00 175.69 3pcj s ILE 374 N -1.88 4.96 0.00 2.83 1.01 -1.26 -4.99 121.20 121.87 3pcj s ILE 374 Ca 0.77 0.99 0.00 0.00 0.00 0.00 0.00 60.65 62.41 3pcj s ILE 374 Cb -0.32 -3.80 0.00 0.00 0.01 0.00 0.00 42.46 38.35 3pcj s ILE 374 CO 0.47 0.52 0.00 0.61 0.00 0.00 0.00 174.94 176.54 3pcj n GLY 375 N 2.07 3.17 3.64 6.18 0.00 -1.26 -4.49 105.19 114.50 3pcj n GLY 375 Ca -0.11 -1.77 -0.43 0.00 0.00 0.00 0.00 46.02 43.71 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 -2.02 3.96 -0.06 1.61 2.02 -1.26 -4.91 118.70 118.03 3pcj s GLU 376 Ca 0.00 1.37 -0.30 0.00 0.02 0.00 0.00 54.97 56.06 3pcj s GLU 376 Cb 0.00 -3.88 -0.03 0.00 0.10 0.00 0.00 34.13 30.32 3pcj s GLU 376 CO 0.00 -1.07 1.25 1.03 0.02 0.00 0.00 175.26 176.49 3pcj s ARG 377 N 4.11 4.32 0.05 1.61 0.52 -1.26 -1.07 118.95 127.23 3pcj s ARG 377 Ca 0.58 1.73 -0.03 0.00 -0.52 0.00 0.00 55.73 57.48 3pcj s ARG 377 Cb -0.19 -3.60 -0.02 0.00 0.52 0.00 0.00 34.95 31.66 3pcj s ARG 377 CO 0.22 -0.51 0.04 0.96 0.02 0.00 0.00 175.30 176.03 3pcj s ILE 378 N 2.46 0.17 -0.11 1.52 -4.36 -0.38 -1.77 121.20 118.73 3pcj s ILE 378 Ca 0.57 -1.39 -0.01 0.00 -0.26 0.00 0.00 60.65 59.56 3pcj s ILE 378 Cb -0.25 -1.15 -0.03 0.00 1.25 0.00 0.00 42.46 42.28 3pcj s ILE 378 CO 0.22 -0.77 -0.07 -0.63 0.24 0.00 0.00 174.94 173.93 3pcj s ILE 379 N -3.21 3.61 -0.27 8.37 1.01 0.15 -0.63 121.20 130.24 3pcj s ILE 379 Ca 0.00 -0.48 -0.02 0.00 0.00 0.00 0.00 60.65 60.16 3pcj s ILE 379 Cb 0.03 -2.53 0.04 0.00 0.01 0.00 0.00 42.46 40.01 3pcj s ILE 379 CO -0.07 0.54 -0.04 -0.69 0.00 0.00 0.00 174.94 174.68 3pcj s VAL 380 N -0.11 2.91 0.14 2.92 1.01 0.09 -0.17 120.40 127.19 3pcj s VAL 380 Ca 0.01 -1.17 0.02 0.00 0.00 0.00 0.00 61.98 60.84 3pcj s VAL 380 Cb -0.13 -2.56 -0.04 0.00 0.00 0.00 0.00 36.38 33.65 3pcj s VAL 380 CO 0.03 0.08 -0.03 0.00 0.00 0.00 0.00 175.10 175.18 3pcj s ALA 381 N 1.29 1.20 0.00 5.51 0.00 -0.53 0.05 121.76 129.29 3pcj s ALA 381 Ca -0.02 -1.49 0.00 0.00 0.00 0.00 0.00 51.96 50.45 3pcj s ALA 381 Cb -0.18 0.39 0.00 0.00 0.00 0.00 0.00 23.12 23.33 3pcj s ALA 381 CO -0.03 -0.28 0.00 0.41 0.00 0.00 0.00 175.76 175.85 3pcj n GLY 382 N -0.16 -1.13 3.18 0.00 0.00 -0.83 -0.51 105.19 105.74 3pcj n GLY 382 Ca -0.09 -0.90 -0.16 0.00 0.00 0.00 0.00 46.02 44.88 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 -0.61 0.85 -0.21 1.61 3.52 -1.25 -1.65 118.95 121.21 3pcj s ARG 383 Ca 0.00 -1.10 -0.05 0.00 -0.13 0.00 0.00 55.73 54.45 3pcj s ARG 383 Cb 0.00 -0.65 -0.02 0.00 -1.56 0.00 0.00 34.95 32.72 3pcj s ARG 383 CO 0.00 0.12 -0.01 0.08 -0.81 0.00 0.00 175.30 174.68 3pcj s VAL 384 N -2.06 3.79 0.29 7.11 1.01 0.21 -1.19 120.40 129.55 3pcj s VAL 384 Ca 0.03 -0.36 0.05 0.00 0.00 0.00 0.00 61.98 61.70 3pcj s VAL 384 Cb -0.05 -2.72 -0.06 0.00 0.00 0.00 0.00 36.38 33.55 3pcj s VAL 384 CO 0.01 0.42 -0.00 0.68 0.00 0.00 0.00 175.10 176.21 3pcj s VAL 385 N 1.23 1.33 0.38 2.92 -7.23 -0.12 -1.03 120.40 117.88 3pcj s VAL 385 Ca 0.03 -2.05 0.05 0.00 -1.81 0.00 0.00 61.98 58.20 3pcj s VAL 385 Cb -0.15 -2.56 0.07 0.00 0.56 0.00 0.00 36.38 34.31 3pcj s VAL 385 CO 0.01 -0.20 0.53 -0.90 -0.31 0.00 0.00 175.10 174.23 3pcj n ASP 386 N -0.58 1.24 0.05 4.85 5.68 0.27 0.31 116.55 128.36 3pcj n ASP 386 Ca -0.04 -1.92 0.10 0.00 -0.50 0.00 0.00 54.79 52.43 3pcj n ASP 386 Cb 0.65 -0.30 0.42 0.00 -1.14 0.00 0.00 41.12 40.75 3pcj n ASP 386 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3pcj n GLN 387 N -1.87 0.09 0.00 0.11 6.02 -0.60 -2.09 117.38 119.04 3pcj n GLN 387 Ca 0.10 0.27 0.13 0.00 -0.01 0.00 0.00 57.00 57.50 3pcj n GLN 387 Cb 0.38 -1.65 0.41 0.00 1.02 0.00 0.00 30.24 30.40 3pcj n GLN 387 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 3pcj n TYR 388 N -1.82 0.00 -0.78 1.08 4.01 -1.26 -4.93 117.16 113.46 3pcj n TYR 388 Ca 0.04 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.78 3pcj n TYR 388 Cb 0.24 -0.03 0.00 0.00 -0.31 0.00 0.00 39.34 39.23 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 1.25 0.62 3.75 2.72 0.00 -0.89 -5.06 105.19 107.59 3pcj n GLY 389 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.22 4.80 0.55 1.61 2.20 -1.26 -4.74 119.74 122.68 3pcj s LYS 390 Ca 0.00 1.49 -0.19 0.00 -0.36 0.00 0.00 55.97 56.92 3pcj s LYS 390 Cb 0.00 -3.21 -0.06 0.00 -1.51 0.00 0.00 37.83 33.06 3pcj s LYS 390 CO 0.00 0.46 1.10 -2.14 -0.36 0.00 0.00 175.35 174.41 3pcj s PRO 391 N -1.32 3.38 -0.44 4.03 0.02 -1.26 -0.57 135.00 138.84 3pcj s PRO 391 Ca 0.43 1.49 -0.01 0.00 0.02 0.00 0.00 61.00 62.93 3pcj s PRO 391 Cb -0.26 -2.02 0.12 0.00 0.02 0.00 0.00 34.50 32.36 3pcj s PRO 391 CO 0.32 -0.80 0.22 0.08 -0.33 0.00 0.00 177.00 176.49 3pcj s VAL 392 N -1.95 3.07 0.51 3.83 1.01 -0.20 -4.82 120.40 121.85 3pcj s VAL 392 Ca 0.70 -2.42 -0.13 0.00 0.00 0.00 0.00 61.98 60.13 3pcj s VAL 392 Cb -0.21 -3.11 -0.06 0.00 0.00 0.00 0.00 36.38 32.99 3pcj s VAL 392 CO 0.28 -0.72 0.92 -2.16 0.00 0.00 0.00 175.10 173.42 3pcj s PRO 393 N 0.72 3.79 -1.53 2.72 0.04 -1.26 -4.26 135.00 135.22 3pcj s PRO 393 Ca 0.11 0.71 -0.10 0.00 0.04 0.00 0.00 61.00 61.77 3pcj s PRO 393 Cb -0.22 -2.21 0.08 0.00 0.04 0.00 0.00 34.50 32.19 3pcj s PRO 393 CO -0.04 -0.27 0.72 0.09 0.04 0.00 0.00 177.00 177.54 3pcj n ASN 394 N -1.83 -2.62 -4.79 6.66 4.13 -0.74 -4.94 115.26 111.14 3pcj n ASN 394 Ca 0.05 -0.93 -0.29 0.00 1.68 0.00 0.00 54.58 55.09 3pcj n ASN 394 Cb 0.54 -3.28 -0.06 0.00 -1.54 0.00 0.00 39.78 35.44 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 -3.53 4.53 -0.12 3.41 -1.32 -1.26 -4.55 115.64 112.81 3pcj s THR 395 Ca 0.43 -0.87 -0.18 0.00 -1.21 0.00 0.00 61.69 59.87 3pcj s THR 395 Cb -0.23 -3.23 -0.04 0.00 -1.51 0.00 0.00 72.50 67.49 3pcj s THR 395 CO 0.88 0.05 0.46 -0.22 -2.21 0.00 0.00 174.62 173.58 3pcj s LEU 396 N -2.63 4.27 -0.16 9.08 2.96 -1.26 -0.42 118.68 130.51 3pcj s LEU 396 Ca 0.30 0.79 0.02 0.00 -0.22 0.00 0.00 54.13 55.01 3pcj s LEU 396 Cb -0.11 -2.67 0.01 0.00 0.50 0.00 0.00 46.19 43.92 3pcj s LEU 396 CO 0.23 0.00 -0.21 -0.69 -1.32 0.00 0.00 176.35 174.36 3pcj s VAL 397 N 0.64 2.11 0.05 1.68 1.01 -0.59 -1.24 120.40 124.05 3pcj s VAL 397 Ca 0.25 -0.95 0.08 0.00 0.00 0.00 0.00 61.98 61.36 3pcj s VAL 397 Cb -0.15 -1.86 -0.03 0.00 0.00 0.00 0.00 36.38 34.34 3pcj s VAL 397 CO 0.10 0.54 -0.21 -1.61 0.00 0.00 0.00 175.10 173.92 3pcj s GLU 398 N 1.03 1.36 0.02 2.72 2.02 0.06 -1.05 118.70 124.87 3pcj s GLU 398 Ca -0.02 -0.99 -0.01 0.00 0.02 0.00 0.00 54.97 53.97 3pcj s GLU 398 Cb -0.14 -1.51 -0.02 0.00 0.10 0.00 0.00 34.13 32.56 3pcj s GLU 398 CO -0.07 0.38 0.00 0.00 0.02 0.00 0.00 175.26 175.59 3pcj s MET 399 N -1.31 0.39 -0.01 1.61 0.23 -0.46 -0.83 119.30 118.91 3pcj s MET 399 Ca 0.08 -0.66 -0.16 0.00 -1.03 0.00 0.00 55.69 53.92 3pcj s MET 399 Cb -0.09 0.14 0.03 0.00 -1.53 0.00 0.00 34.83 33.38 3pcj s MET 399 CO 0.02 -0.07 0.34 1.67 -2.03 0.00 0.00 175.02 174.95 3pcj s TRP 400 N -1.80 -0.21 0.29 3.16 -2.14 -0.83 -1.64 118.94 115.77 3pcj s TRP 400 Ca -0.13 0.29 -0.19 0.00 2.66 0.00 0.00 56.10 58.73 3pcj s TRP 400 Cb -0.07 0.13 0.06 0.00 -3.10 0.00 0.00 33.47 30.49 3pcj s TRP 400 CO -0.02 -0.43 0.89 1.14 -2.66 0.00 0.00 176.95 175.87 3pcj s GLN 401 N -1.55 1.81 0.73 3.25 -2.07 -0.34 -1.01 119.66 120.47 3pcj s GLN 401 Ca -0.12 -1.15 -0.04 0.00 -1.82 0.00 0.00 55.36 52.23 3pcj s GLN 401 Cb -0.04 0.51 0.11 0.00 -1.09 0.00 0.00 33.01 32.51 3pcj s GLN 401 CO 0.03 -0.84 1.01 0.00 -1.32 0.00 0.00 175.29 174.17 3pcj s ALA 402 N -2.36 3.42 0.86 2.60 0.00 -1.26 -4.65 121.76 120.36 3pcj s ALA 402 Ca 0.18 -1.44 -0.04 0.00 0.00 0.00 0.00 51.96 50.65 3pcj s ALA 402 Cb -0.04 -2.24 0.07 0.00 0.00 0.00 0.00 23.12 20.91 3pcj s ALA 402 CO 0.08 -1.47 0.41 0.27 0.00 0.00 0.00 175.76 175.06 3pcj n ASN 403 N -2.91 0.15 0.19 0.00 0.23 0.23 -4.54 115.26 108.61 3pcj n ASN 403 Ca 0.13 -1.22 0.17 0.00 -0.53 0.00 0.00 54.58 53.12 3pcj n ASN 403 Cb 0.60 -0.30 0.80 0.00 -2.08 0.00 0.00 39.78 38.80 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 -1.53 1.89 -0.13 -2.53 0.00 -1.79 -0.75 119.26 114.42 3pcj h ALA 404 Ca -0.13 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3pcj h ALA 404 Cb 0.40 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.20 3pcj h ALA 404 CO 0.11 -0.29 0.00 0.41 0.00 0.00 0.00 179.25 179.47 3pcj n GLY 405 N -1.44 0.79 1.75 0.00 0.00 -1.26 -3.28 105.19 101.75 3pcj n GLY 405 Ca 0.02 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.44 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 1.30 0.49 3.81 -0.02 0.00 -0.37 -4.81 105.19 105.60 3pcj n GLY 406 Ca 0.17 -0.66 -0.36 0.00 0.00 0.00 0.00 46.02 45.17 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 -1.24 3.78 0.12 1.61 6.06 -1.26 -4.70 118.95 123.32 3pcj s ARG 407 Ca 0.00 -0.17 -0.02 0.00 -2.50 0.00 0.00 55.73 53.04 3pcj s ARG 407 Cb 0.00 -3.29 -0.05 0.00 0.06 0.00 0.00 34.95 31.67 3pcj s ARG 407 CO 0.00 0.56 0.30 0.71 -2.50 0.00 0.00 175.30 174.37 3pcj s TYR 408 N -0.39 3.49 -1.15 5.12 1.51 -1.26 -0.60 117.35 124.07 3pcj s TYR 408 Ca 0.12 0.38 -0.09 0.00 -1.01 0.00 0.00 57.07 56.47 3pcj s TYR 408 Cb -0.12 -1.87 0.25 0.00 -0.11 0.00 0.00 41.96 40.11 3pcj s TYR 408 CO 0.01 0.50 1.38 -2.13 -1.11 0.00 0.00 175.55 174.20 3pcj n ARG 409 N 0.05 3.73 -3.77 -0.62 0.63 -1.26 -4.81 116.66 110.62 3pcj n ARG 409 Ca -0.04 -4.21 -0.13 0.00 -0.92 0.00 0.00 57.85 52.55 3pcj n ARG 409 Cb 0.52 -2.71 -0.11 0.00 0.45 0.00 0.00 32.46 30.61 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 -0.74 -0.31 0.21 -0.14 2.46 -1.26 -5.07 115.29 110.44 3pcj s HIS 410 Ca 0.35 0.74 -0.20 0.00 0.47 0.00 0.00 55.06 56.42 3pcj s HIS 410 Cb -0.02 0.11 0.18 0.00 -0.13 0.00 0.00 32.58 32.72 3pcj s HIS 410 CO -0.01 -0.20 1.56 0.87 -2.47 0.00 0.00 174.74 174.49 3pcj h LYS 411 N 5.35 -0.04 0.00 2.88 1.57 -2.07 -1.64 116.57 122.62 3pcj h LYS 411 Ca -0.27 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.51 3pcj h LYS 411 Cb 1.19 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.51 3pcj h LYS 411 CO 0.32 -0.03 0.00 0.09 -0.57 0.00 0.00 179.45 179.27 3pcj n ASN 412 N -5.44 0.00 -4.46 0.86 5.03 -1.26 -4.72 115.26 105.27 3pcj n ASN 412 Ca 0.08 -0.86 -0.43 0.00 0.87 0.00 0.00 54.58 54.24 3pcj n ASN 412 Cb 0.38 0.00 -0.09 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 -1.99 6.16 -0.21 6.41 2.15 -0.62 -4.90 116.67 123.68 3pcj s ASP 413 Ca 0.41 -0.86 0.15 0.00 0.43 0.00 0.00 52.55 52.68 3pcj s ASP 413 Cb 0.19 -2.20 0.60 0.00 -0.30 0.00 0.00 42.92 41.20 3pcj s ASP 413 CO 0.31 -0.58 1.51 0.54 -0.17 0.00 0.00 175.17 176.79 3pcj n ARG 414 N 5.45 3.32 -1.77 4.34 5.12 -1.26 -4.86 116.66 127.00 3pcj n ARG 414 Ca -0.09 -2.94 -0.38 0.00 -1.93 0.00 0.00 57.85 52.50 3pcj n ARG 414 Cb 0.47 -1.95 0.04 0.00 -1.16 0.00 0.00 32.46 29.85 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 -2.85 2.27 -1.14 -1.55 5.04 -1.26 -4.88 117.35 112.97 3pcj s TYR 415 Ca 0.46 1.36 0.22 0.00 -2.44 0.00 0.00 57.07 56.67 3pcj s TYR 415 Cb 0.37 -3.82 1.01 0.00 0.35 0.00 0.00 41.96 39.86 3pcj s TYR 415 CO 0.10 -2.95 1.71 1.47 -1.34 0.00 0.00 175.55 174.55 3pcj n LEU 416 N -1.02 0.00 -4.78 6.97 -0.00 -1.26 -4.81 117.00 112.11 3pcj n LEU 416 Ca 0.10 0.43 -0.37 0.00 -0.00 0.00 0.00 56.01 56.17 3pcj n LEU 416 Cb 0.45 -0.43 -0.03 0.00 -0.00 0.00 0.00 43.42 43.41 3pcj n LEU 416 CO 0.53 -0.11 0.76 0.00 -0.00 0.00 0.00 177.39 178.58 3pcj s ALA 417 N -2.86 3.08 0.83 1.47 0.00 -1.26 -4.99 121.76 118.03 3pcj s ALA 417 Ca 0.14 0.78 -0.11 0.00 0.00 0.00 0.00 51.96 52.77 3pcj s ALA 417 Cb 0.15 -3.30 0.09 0.00 0.00 0.00 0.00 23.12 20.05 3pcj s ALA 417 CO 0.38 -0.32 1.09 -1.25 0.00 0.00 0.00 175.76 175.66 3pcj s PRO 418 N -2.48 1.83 0.43 0.00 0.04 -1.26 -4.79 135.00 128.77 3pcj s PRO 418 Ca 0.58 0.90 -0.11 0.00 0.04 0.00 0.00 61.00 62.42 3pcj s PRO 418 Cb -0.24 -1.87 -0.06 0.00 0.04 0.00 0.00 34.50 32.36 3pcj s PRO 418 CO 0.30 -1.87 0.80 -0.51 0.04 0.00 0.00 177.00 175.77 3pcj s LEU 419 N -6.00 3.78 -0.23 -3.56 1.43 -1.26 -4.71 118.68 108.13 3pcj s LEU 419 Ca 0.62 1.18 -0.07 0.00 -1.03 0.00 0.00 54.13 54.83 3pcj s LEU 419 Cb -0.17 -4.08 -0.03 0.00 0.03 0.00 0.00 46.19 41.95 3pcj s LEU 419 CO 0.56 -0.44 0.06 -0.62 0.23 0.00 0.00 176.35 176.14 3pcj s ASP 420 N -3.21 5.11 0.57 2.29 -1.08 -1.26 -4.98 116.67 114.10 3pcj s ASP 420 Ca 0.52 -0.18 0.27 0.00 -0.52 0.00 0.00 52.55 52.63 3pcj s ASP 420 Cb -0.10 -1.91 1.54 0.00 -1.46 0.00 0.00 42.92 40.99 3pcj s ASP 420 CO 0.32 0.00 2.06 1.55 0.52 0.00 0.00 175.17 179.63 3pcj h PRO 421 N 7.97 0.00 -0.70 4.34 0.13 -1.97 -1.59 132.00 140.17 3pcj h PRO 421 Ca -0.38 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 3pcj h PRO 421 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 3pcj h PRO 421 CO 0.59 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.45 3pcj n ASN 422 N -4.01 4.41 -4.10 1.44 4.13 -1.26 -4.92 115.26 110.94 3pcj n ASN 422 Ca 0.04 -2.23 -0.25 0.00 1.68 0.00 0.00 54.58 53.82 3pcj n ASN 422 Cb 0.40 -0.54 -0.16 0.00 -1.54 0.00 0.00 39.78 37.94 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 -1.45 1.53 -0.08 3.10 5.36 -0.60 -4.29 117.98 121.55 3pcj s PHE 423 Ca 0.51 -0.42 -0.08 0.00 -0.96 0.00 0.00 56.93 55.97 3pcj s PHE 423 Cb 0.30 -1.04 -0.03 0.00 -0.34 0.00 0.00 43.02 41.91 3pcj s PHE 423 CO 0.29 -0.15 -0.15 0.41 -1.46 0.00 0.00 175.22 174.16 3pcj n GLY 424 N 3.17 -0.48 0.00 13.12 0.00 -1.26 -4.70 105.19 115.04 3pcj n GLY 424 Ca -0.18 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.69 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 1.58 1.26 3.26 -0.02 0.00 -1.26 -4.52 105.19 105.49 3pcj n GLY 425 Ca -0.06 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.72 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 1.63 0.07 1.61 1.01 -1.26 -1.20 120.40 120.26 3pcj s VAL 426 Ca 0.00 -1.35 -0.26 0.00 0.00 0.00 0.00 61.98 60.37 3pcj s VAL 426 Cb 0.00 -1.46 0.08 0.00 0.00 0.00 0.00 36.38 35.00 3pcj s VAL 426 CO 0.00 0.05 0.67 -0.83 0.00 0.00 0.00 175.10 175.00 3pcj s GLY 427 N -1.54 -0.57 0.05 4.51 0.00 -0.65 -4.77 107.32 104.35 3pcj s GLY 427 Ca 0.06 0.84 -0.12 0.00 0.00 0.00 0.00 44.72 45.50 3pcj s GLY 427 CO 0.03 0.43 0.26 1.09 0.00 0.00 0.00 173.10 174.91 3pcj s ARG 428 N -2.90 0.78 -0.27 2.90 1.70 -0.93 -1.36 118.95 118.88 3pcj s ARG 428 Ca -0.02 -0.59 -0.25 0.00 -0.47 0.00 0.00 55.73 54.40 3pcj s ARG 428 Cb -0.01 0.33 0.07 0.00 -0.57 0.00 0.00 34.95 34.78 3pcj s ARG 428 CO -0.06 -0.25 0.73 0.00 -1.08 0.00 0.00 175.30 174.64 3pcj s LEU 430 N 0.41 4.23 0.65 0.00 2.96 -1.26 -1.55 118.68 124.13 3pcj s LEU 430 Ca -0.00 0.30 -0.18 0.00 -0.22 0.00 0.00 54.13 54.03 3pcj s LEU 430 Cb -0.05 -2.15 -0.01 0.00 0.50 0.00 0.00 46.19 44.49 3pcj s LEU 430 CO 0.00 0.18 1.26 0.42 -1.32 0.00 0.00 176.35 176.89 3pcj s THR 431 N 0.30 2.20 0.20 3.68 -4.23 0.44 -4.83 115.64 113.40 3pcj s THR 431 Ca 0.10 0.12 -0.03 0.00 -1.18 0.00 0.00 61.69 60.70 3pcj s THR 431 Cb -0.11 -2.98 0.05 0.00 1.34 0.00 0.00 72.50 70.79 3pcj s THR 431 CO -0.00 -0.03 0.28 -0.90 -0.54 0.00 0.00 174.62 173.42 3pcj n ASP 432 N -2.00 0.11 -0.10 3.99 5.68 -0.56 -1.79 116.55 121.88 3pcj n ASP 432 Ca 0.15 -1.15 0.17 0.00 -0.50 0.00 0.00 54.79 53.46 3pcj n ASP 432 Cb 0.49 -0.20 0.57 0.00 -1.14 0.00 0.00 41.12 40.84 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 -0.32 0.24 -0.05 -1.12 0.02 -1.95 -0.46 113.55 109.92 3pcj h SER 433 Ca -0.09 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.87 3pcj h SER 433 Cb 0.27 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.77 3pcj h SER 433 CO 0.07 0.13 0.00 0.47 -1.14 0.00 0.00 176.83 176.36 3pcj n ASP 434 N -4.44 1.49 0.00 3.07 8.00 -1.26 -4.47 116.55 118.94 3pcj n ASP 434 Ca 0.12 -1.53 0.00 0.00 0.71 0.00 0.00 54.79 54.09 3pcj n ASP 434 Cb 0.55 -0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.63 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 1.16 0.61 3.78 0.44 0.00 -0.18 -4.69 105.19 106.30 3pcj n GLY 435 Ca 0.18 -0.63 -0.37 0.00 0.00 0.00 0.00 46.02 45.20 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 3.55 0.13 1.61 2.02 -1.26 0.66 117.35 122.07 3pcj s TYR 436 Ca 0.00 0.68 0.04 0.00 -0.37 0.00 0.00 57.07 57.42 3pcj s TYR 436 Cb 0.00 -2.25 -0.04 0.00 -0.40 0.00 0.00 41.96 39.27 3pcj s TYR 436 CO 0.00 0.43 -0.09 1.52 -1.57 0.00 0.00 175.55 175.84 3pcj s TYR 437 N -0.20 1.16 -0.19 2.71 -0.85 -0.66 -1.50 117.35 117.82 3pcj s TYR 437 Ca 0.18 -0.79 -0.22 0.00 -0.52 0.00 0.00 57.07 55.72 3pcj s TYR 437 Cb -0.14 -0.61 0.06 0.00 0.38 0.00 0.00 41.96 41.65 3pcj s TYR 437 CO 0.06 0.02 0.59 -1.54 -1.52 0.00 0.00 175.55 173.16 3pcj s SER 438 N -3.10 -0.60 0.12 -0.18 1.04 -1.26 -1.97 113.70 107.76 3pcj s SER 438 Ca 0.15 1.06 0.06 0.00 0.48 0.00 0.00 55.95 57.69 3pcj s SER 438 Cb 0.03 1.06 -0.04 0.00 0.10 0.00 0.00 66.02 67.17 3pcj s SER 438 CO -0.01 -0.28 -0.14 -0.36 0.98 0.00 0.00 173.24 173.44 3pcj s PHE 439 N -0.00 1.38 -0.11 5.02 0.08 0.11 -4.90 117.98 119.56 3pcj s PHE 439 Ca -0.02 -0.56 0.02 0.00 0.12 0.00 0.00 56.93 56.48 3pcj s PHE 439 Cb -0.04 -0.72 0.01 0.00 -0.57 0.00 0.00 43.02 41.71 3pcj s PHE 439 CO 0.02 0.14 -0.15 0.50 -0.10 0.00 0.00 175.22 175.63 3pcj s ARG 440 N -2.70 2.24 0.00 0.44 3.52 -0.86 -0.73 118.95 120.86 3pcj s ARG 440 Ca 0.09 -0.57 0.00 0.00 -0.13 0.00 0.00 55.73 55.12 3pcj s ARG 440 Cb -0.05 -1.91 0.00 0.00 -1.56 0.00 0.00 34.95 31.43 3pcj s ARG 440 CO 0.03 -0.07 0.00 -2.37 -0.81 0.00 0.00 175.30 172.08 3pcj n THR 441 N 4.23 0.00 -4.37 4.11 5.66 0.19 -0.19 114.28 123.90 3pcj n THR 441 Ca -0.19 0.00 -0.29 0.00 -3.05 0.00 0.00 64.05 60.53 3pcj n THR 441 Cb 0.51 0.00 -0.12 0.00 -1.55 0.00 0.00 70.33 69.17 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 -2.39 2.45 0.06 1.09 -4.36 -1.26 -1.25 121.20 115.53 3pcj s ILE 442 Ca 0.00 -1.76 -0.31 0.00 -0.26 0.00 0.00 60.65 58.33 3pcj s ILE 442 Cb 0.00 -2.12 -0.06 0.00 1.25 0.00 0.00 42.46 41.53 3pcj s ILE 442 CO 0.00 0.04 1.34 -0.75 0.24 0.00 0.00 174.94 175.81 3pcj s LYS 443 N -2.24 4.33 0.57 0.37 2.20 -0.23 -4.90 119.74 119.85 3pcj s LYS 443 Ca 0.17 1.95 -0.14 0.00 -0.36 0.00 0.00 55.97 57.59 3pcj s LYS 443 Cb -0.10 -3.40 -0.05 0.00 -1.51 0.00 0.00 37.83 32.77 3pcj s LYS 443 CO 0.08 -0.44 1.01 -1.25 -0.36 0.00 0.00 175.35 174.39 3pcj s PRO 444 N 1.58 3.68 0.29 4.03 0.04 -1.26 -4.25 135.00 139.11 3pcj s PRO 444 Ca 0.63 0.92 0.00 0.00 0.04 0.00 0.00 61.00 62.59 3pcj s PRO 444 Cb -0.33 -2.09 -0.04 0.00 0.04 0.00 0.00 34.50 32.08 3pcj s PRO 444 CO 0.28 -0.50 0.48 0.20 0.04 0.00 0.00 177.00 177.51 3pcj s GLY 445 N -3.45 1.48 0.83 0.56 0.00 -0.71 -4.67 107.32 101.35 3pcj s GLY 445 Ca 0.58 -0.90 -0.12 0.00 0.00 0.00 0.00 44.72 44.28 3pcj s GLY 445 CO 0.41 -0.85 1.18 2.56 0.00 0.00 0.00 173.10 176.40 3pcj s PRO 446 N -3.95 1.54 -0.06 2.90 0.04 -1.26 -4.10 135.00 130.11 3pcj s PRO 446 Ca 0.39 1.67 0.01 0.00 0.04 0.00 0.00 61.00 63.10 3pcj s PRO 446 Cb -0.10 -1.77 0.02 0.00 0.04 0.00 0.00 34.50 32.69 3pcj s PRO 446 CO 0.33 -2.26 -0.05 -0.47 0.04 0.00 0.00 177.00 174.58 3pcj s TYR 447 N -2.32 0.91 0.34 0.56 5.04 -0.78 -4.32 117.35 116.78 3pcj s TYR 447 Ca 0.71 -0.30 -0.27 0.00 -2.44 0.00 0.00 57.07 54.77 3pcj s TYR 447 Cb -0.26 -0.80 -0.09 0.00 0.35 0.00 0.00 41.96 41.15 3pcj s TYR 447 CO 0.52 -0.26 1.07 -1.25 -1.34 0.00 0.00 175.55 174.29 3pcj s PRO 448 N 1.15 4.41 0.06 4.97 0.04 -1.26 0.11 135.00 144.49 3pcj s PRO 448 Ca -0.07 1.64 -0.09 0.00 0.04 0.00 0.00 61.00 62.53 3pcj s PRO 448 Cb -0.14 -2.87 -0.00 0.00 0.04 0.00 0.00 34.50 31.53 3pcj s PRO 448 CO -0.01 0.05 0.18 1.67 0.04 0.00 0.00 177.00 178.93 3pcj s TRP 449 N -1.41 0.12 -1.19 0.56 1.48 -0.98 -4.89 118.94 112.63 3pcj s TRP 449 Ca 0.51 -0.45 -0.18 0.00 -1.06 0.00 0.00 56.10 54.91 3pcj s TRP 449 Cb -0.27 -0.06 0.09 0.00 -1.16 0.00 0.00 33.47 32.08 3pcj s TRP 449 CO 0.34 -0.48 1.56 1.03 -4.06 0.00 0.00 176.95 175.35 3pcj s ARG 450 N -3.20 3.90 0.00 3.25 0.52 -1.26 -4.36 118.95 117.80 3pcj s ARG 450 Ca -0.00 -1.93 0.00 0.00 -0.52 0.00 0.00 55.73 53.28 3pcj s ARG 450 Cb 0.02 -5.35 0.00 0.00 0.52 0.00 0.00 34.95 30.14 3pcj s ARG 450 CO -0.07 -2.10 0.00 -1.71 0.02 0.00 0.00 175.30 171.44 3pcj n ASN 451 N 7.74 0.00 -4.15 0.23 5.15 -1.26 -5.04 115.26 117.93 3pcj n ASN 451 Ca 0.41 0.00 -0.25 0.00 -0.60 0.00 0.00 54.58 54.14 3pcj n ASN 451 Cb 0.47 0.00 0.15 0.00 -0.53 0.00 0.00 39.78 39.87 3pcj n ASN 451 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3pcj n GLY 452 N 4.88 -0.34 0.28 8.20 0.00 -1.26 -4.98 105.19 111.97 3pcj n GLY 452 Ca 0.00 -1.88 0.17 0.00 0.00 0.00 0.00 46.02 44.31 3pcj n GLY 452 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3pcj h PRO 453 N 0.00 0.00 -1.27 1.61 0.11 -1.98 -3.31 132.00 127.17 3pcj h PRO 453 Ca -0.36 0.00 -0.39 0.00 0.11 0.00 0.00 66.00 65.36 3pcj h PRO 453 Cb 1.15 0.00 -0.35 0.00 0.11 0.00 0.00 31.00 31.91 3pcj h PRO 453 CO 0.32 0.04 -1.03 -1.71 -0.21 0.00 0.00 178.00 175.41 3pcj n ASN 454 N -3.19 0.36 -4.79 -2.05 5.15 -1.26 -5.09 115.26 104.40 3pcj n ASN 454 Ca -0.00 -2.97 -0.38 0.00 -0.60 0.00 0.00 54.58 50.63 3pcj n ASN 454 Cb 0.27 -0.12 -0.06 0.00 -0.53 0.00 0.00 39.78 39.34 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 -2.38 6.74 -0.06 1.20 1.01 -1.25 -5.07 116.67 116.86 3pcj s ASP 455 Ca 0.32 0.88 0.00 0.00 0.71 0.00 0.00 52.55 54.46 3pcj s ASP 455 Cb 0.38 -2.26 0.02 0.00 1.01 0.00 0.00 42.92 42.07 3pcj s ASP 455 CO -0.04 0.20 -0.04 0.26 0.21 0.00 0.00 175.17 175.76 3pcj s TRP 456 N -0.38 0.88 0.31 4.23 0.52 -1.26 -2.32 118.94 120.92 3pcj s TRP 456 Ca 0.24 -0.30 -0.28 0.00 0.02 0.00 0.00 56.10 55.78 3pcj s TRP 456 Cb -0.16 -0.82 -0.09 0.00 -1.15 0.00 0.00 33.47 31.25 3pcj s TRP 456 CO 0.12 -0.29 1.08 1.03 0.02 0.00 0.00 176.95 178.91 3pcj s ARG 457 N 1.33 4.51 0.69 4.98 1.81 0.31 -4.78 118.95 127.81 3pcj s ARG 457 Ca -0.04 1.72 -0.15 0.00 -1.72 0.00 0.00 55.73 55.54 3pcj s ARG 457 Cb -0.14 -3.02 0.02 0.00 -0.45 0.00 0.00 34.95 31.36 3pcj s ARG 457 CO -0.02 0.12 1.14 -2.14 -0.68 0.00 0.00 175.30 173.72 3pcj s PRO 458 N -1.72 2.52 0.27 3.54 0.02 -1.26 -1.87 135.00 136.50 3pcj s PRO 458 Ca 0.48 1.50 -0.31 0.00 0.02 0.00 0.00 61.00 62.70 3pcj s PRO 458 Cb -0.29 -1.91 -0.12 0.00 0.02 0.00 0.00 34.50 32.20 3pcj s PRO 458 CO 0.37 -1.49 1.51 0.00 -0.33 0.00 0.00 177.00 177.06 3pcj n ALA 459 N -2.61 1.89 -3.29 -1.55 0.00 -1.26 -4.70 120.51 109.00 3pcj n ALA 459 Ca 0.11 0.39 -0.10 0.00 0.00 0.00 0.00 53.44 53.84 3pcj n ALA 459 Cb 0.51 -2.38 -0.04 0.00 0.00 0.00 0.00 19.45 17.55 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 -0.04 -0.19 -0.07 0.00 -3.43 -1.26 -4.12 115.29 106.18 3pcj s HIS 460 Ca 0.66 -0.13 0.01 0.00 -0.80 0.00 0.00 55.06 54.80 3pcj s HIS 460 Cb -0.57 0.40 0.02 0.00 -1.43 0.00 0.00 32.58 31.01 3pcj s HIS 460 CO 0.49 -0.88 -0.07 0.42 -2.00 0.00 0.00 174.74 172.70 3pcj s ILE 461 N -3.85 0.82 0.33 -5.38 1.01 -0.83 -4.59 121.20 108.71 3pcj s ILE 461 Ca 0.07 -0.24 -0.27 0.00 0.00 0.00 0.00 60.65 60.21 3pcj s ILE 461 Cb -0.01 -0.82 -0.09 0.00 0.01 0.00 0.00 42.46 41.55 3pcj s ILE 461 CO -0.05 0.30 1.02 -1.00 0.00 0.00 0.00 174.94 175.21 3pcj s HIS 462 N 1.17 3.55 0.02 3.97 3.76 -0.18 -1.16 115.29 126.41 3pcj s HIS 462 Ca -0.06 1.73 0.03 0.00 -0.15 0.00 0.00 55.06 56.61 3pcj s HIS 462 Cb -0.14 -3.10 -0.01 0.00 1.11 0.00 0.00 32.58 30.44 3pcj s HIS 462 CO -0.02 -0.25 -0.08 -0.06 -0.85 0.00 0.00 174.74 173.48 3pcj s PHE 463 N -1.45 0.73 -0.04 1.40 0.40 0.09 -1.96 117.98 117.14 3pcj s PHE 463 Ca 0.50 -0.26 0.02 0.00 -0.60 0.00 0.00 56.93 56.59 3pcj s PHE 463 Cb -0.24 -0.45 0.01 0.00 0.51 0.00 0.00 43.02 42.85 3pcj s PHE 463 CO 0.31 -0.02 -0.08 0.20 0.70 0.00 0.00 175.22 176.32 3pcj s GLY 464 N -0.73 0.56 -0.07 4.36 0.00 -0.01 -0.24 107.32 111.19 3pcj s GLY 464 Ca -0.01 -0.24 0.01 0.00 0.00 0.00 0.00 44.72 44.48 3pcj s GLY 464 CO 0.00 0.16 -0.07 -0.42 0.00 0.00 0.00 173.10 172.78 3pcj s ILE 465 N 0.58 0.81 -0.04 0.90 1.09 0.23 -0.76 121.20 124.01 3pcj s ILE 465 Ca -0.09 -0.24 -0.22 0.00 -1.10 0.00 0.00 60.65 58.99 3pcj s ILE 465 Cb -0.13 -0.81 -0.17 0.00 -1.06 0.00 0.00 42.46 40.29 3pcj s ILE 465 CO 0.01 0.30 0.97 0.77 -0.10 0.00 0.00 174.94 176.89 3pcj h SER 466 N 7.46 -0.18 -3.68 3.58 4.64 -1.47 -1.76 113.55 122.14 3pcj h SER 466 Ca -0.32 -0.36 0.04 0.00 -0.47 0.00 0.00 61.79 60.68 3pcj h SER 466 Cb 1.16 0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 63.28 3pcj h SER 466 CO 0.43 0.35 -0.05 0.61 -0.87 0.00 0.00 176.83 177.31 3pcj n GLY 467 N 0.45 -2.06 0.23 -0.77 0.00 -1.26 -2.69 105.19 99.10 3pcj n GLY 467 Ca -0.08 -1.41 0.15 0.00 0.00 0.00 0.00 46.02 44.67 3pcj n GLY 467 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3pcj h PRO 468 N 0.00 0.00 -4.32 1.61 0.13 -1.93 -3.47 132.00 124.02 3pcj h PRO 468 Ca 0.00 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.85 3pcj h PRO 468 Cb 0.13 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 31.15 3pcj h PRO 468 CO 0.00 0.00 -0.33 -1.54 -0.23 0.00 0.00 178.00 175.90 3pcj s SER 469 N -5.51 0.81 0.14 1.44 1.04 -1.26 -3.69 113.70 106.67 3pcj s SER 469 Ca 0.04 -1.46 0.25 0.00 0.48 0.00 0.00 55.95 55.26 3pcj s SER 469 Cb 0.08 0.58 0.94 0.00 0.10 0.00 0.00 66.02 67.72 3pcj s SER 469 CO 0.56 -1.14 1.77 2.30 0.98 0.00 0.00 173.24 177.71 3pcj n ILE 470 N -0.50 0.51 0.21 -1.02 -5.35 -0.65 -2.16 119.36 110.40 3pcj n ILE 470 Ca 0.02 -0.05 0.10 0.00 -0.27 0.00 0.00 62.75 62.55 3pcj n ILE 470 Cb 0.63 -0.71 0.27 0.00 -1.74 0.00 0.00 39.64 38.09 3pcj n ILE 470 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3pcj h ALA 471 N 2.61 0.92 0.00 -1.28 0.00 -1.79 -3.24 119.26 116.49 3pcj h ALA 471 Ca 0.00 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 3pcj h ALA 471 Cb 0.55 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 3pcj h ALA 471 CO 0.00 0.22 -1.79 0.25 0.00 0.00 0.00 179.25 177.93 3pcj n THR 472 N -3.19 0.24 -1.66 0.00 -2.24 -0.92 -4.92 114.28 101.60 3pcj n THR 472 Ca 0.02 -0.54 -0.44 0.00 -2.27 0.00 0.00 64.05 60.83 3pcj n THR 472 Cb 0.53 -0.12 -0.01 0.00 -2.10 0.00 0.00 70.33 68.62 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 -2.39 1.86 -3.77 -0.78 3.00 -1.09 -4.73 118.16 110.25 3pcj n LYS 473 Ca -0.05 0.65 -0.13 0.00 -0.00 0.00 0.00 58.31 58.78 3pcj n LYS 473 Cb 0.61 -2.19 -0.10 0.00 0.00 0.00 0.00 35.03 33.35 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 -0.32 0.91 -0.02 3.14 2.96 -0.66 -5.02 118.68 119.66 3pcj s LEU 474 Ca 0.60 0.31 0.07 0.00 -0.22 0.00 0.00 54.13 54.89 3pcj s LEU 474 Cb -0.63 1.11 -0.02 0.00 0.50 0.00 0.00 46.19 47.14 3pcj s LEU 474 CO 0.59 -0.28 -0.24 -0.63 -1.32 0.00 0.00 176.35 174.47 3pcj s ILE 475 N -0.63 2.24 0.20 6.68 1.01 -1.26 -0.60 121.20 128.84 3pcj s ILE 475 Ca -0.07 -1.04 -0.04 0.00 0.00 0.00 0.00 60.65 59.49 3pcj s ILE 475 Cb -0.04 -1.80 0.02 0.00 0.01 0.00 0.00 42.46 40.65 3pcj s ILE 475 CO 0.02 0.58 0.33 1.07 0.00 0.00 0.00 174.94 176.94 3pcj n THR 476 N 2.40 0.00 -4.15 2.92 5.66 0.67 -4.99 114.28 116.79 3pcj n THR 476 Ca -0.16 -0.77 -0.16 0.00 -3.05 0.00 0.00 64.05 59.91 3pcj n THR 476 Cb 0.51 0.56 -0.12 0.00 -1.55 0.00 0.00 70.33 69.74 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 -2.26 0.76 -0.14 1.09 -0.21 -1.26 -0.73 119.66 116.91 3pcj s GLN 477 Ca 0.12 -0.95 -0.03 0.00 0.02 0.00 0.00 55.36 54.53 3pcj s GLN 477 Cb -0.01 -0.65 -0.03 0.00 1.00 0.00 0.00 33.01 33.32 3pcj s GLN 477 CO 0.09 0.13 -0.03 -1.17 -2.12 0.00 0.00 175.29 172.19 3pcj s LEU 478 N -1.84 3.29 0.29 2.90 0.20 -0.31 -4.81 118.68 118.40 3pcj s LEU 478 Ca -0.02 -0.08 0.09 0.00 0.69 0.00 0.00 54.13 54.82 3pcj s LEU 478 Cb -0.09 -1.78 -0.05 0.00 -0.43 0.00 0.00 46.19 43.85 3pcj s LEU 478 CO 0.01 0.22 0.00 -0.31 -0.29 0.00 0.00 176.35 175.99 3pcj s TYR 479 N 0.05 2.64 -0.17 5.38 2.02 0.30 -1.96 117.35 125.61 3pcj s TYR 479 Ca 0.00 -0.28 -0.07 0.00 -0.37 0.00 0.00 57.07 56.35 3pcj s TYR 479 Cb -0.13 -1.28 -0.04 0.00 -0.40 0.00 0.00 41.96 40.10 3pcj s TYR 479 CO 0.03 0.57 0.06 -0.06 -1.57 0.00 0.00 175.55 174.58 3pcj s PHE 480 N -2.38 3.27 -0.09 2.71 0.40 -1.26 -0.20 117.98 120.42 3pcj s PHE 480 Ca 0.33 0.10 -0.40 0.00 -0.60 0.00 0.00 56.93 56.36 3pcj s PHE 480 Cb -0.05 -2.06 -0.18 0.00 0.51 0.00 0.00 43.02 41.25 3pcj s PHE 480 CO 0.20 0.20 1.37 -1.91 0.70 0.00 0.00 175.22 175.78 3pcj n GLU 481 N 3.38 0.63 -0.62 0.44 2.13 -0.51 -1.53 120.64 124.56 3pcj n GLU 481 Ca -0.17 0.23 0.00 0.00 0.66 0.00 0.00 57.16 57.88 3pcj n GLU 481 Cb 0.52 -1.82 0.00 0.00 0.27 0.00 0.00 31.44 30.42 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 2.74 1.28 3.65 8.31 0.00 -1.26 -4.98 105.19 114.93 3pcj n GLY 482 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 3pcj n GLY 482 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3pcj s ASP 483 N -3.15 6.24 0.00 1.61 -1.08 -0.58 -4.83 116.67 114.87 3pcj s ASP 483 Ca 0.00 2.52 0.08 0.00 -0.52 0.00 0.00 52.55 54.63 3pcj s ASP 483 Cb 0.00 -2.53 0.36 0.00 -1.46 0.00 0.00 42.92 39.30 3pcj s ASP 483 CO 0.00 -1.25 1.24 -0.81 0.52 0.00 0.00 175.17 174.88 3pcj n PRO 484 N 7.81 0.02 0.14 4.34 -0.04 -1.26 -2.09 135.00 143.92 3pcj n PRO 484 Ca 0.22 0.33 0.12 0.00 -0.04 0.00 0.00 63.50 64.13 3pcj n PRO 484 Cb 0.42 -1.50 0.21 0.00 -0.04 0.00 0.00 33.50 32.58 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 -0.37 1.53 3.38 -1.95 -3.38 115.31 114.52 3pcj h LEU 485 Ca 0.00 -0.04 0.08 0.00 0.09 0.00 0.00 57.88 58.01 3pcj h LEU 485 Cb 0.13 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.80 3pcj h LEU 485 CO 0.00 0.02 -0.19 0.40 0.09 0.00 0.00 178.44 178.76 3pcj h ILE 486 N 0.00 0.45 0.00 1.22 2.04 -1.81 -2.31 117.51 117.10 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 0.88 0.45 0.00 0.00 -0.74 0.00 0.00 36.82 37.41 3pcj h ILE 486 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 178.15 177.50 3pcj h PRO 487 N -0.12 0.00 0.00 2.37 0.11 -1.82 -3.03 132.00 129.50 3pcj h PRO 487 Ca 0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 3pcj h PRO 487 Cb 0.41 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.52 3pcj h PRO 487 CO -0.45 0.00 -0.96 -1.33 -0.21 0.00 0.00 178.00 175.05 3pcj n MET 488 N -2.38 0.17 -2.75 1.05 2.81 -0.88 -4.93 117.12 110.21 3pcj n MET 488 Ca 0.01 -0.01 -0.42 0.00 -1.81 0.00 0.00 57.70 55.47 3pcj n MET 488 Cb 0.21 -1.55 -0.03 0.00 -0.71 0.00 0.00 33.22 31.15 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 7.17 0.08 -0.04 0.00 0.11 -1.90 0.89 132.00 138.30 3pcj h PRO 490 Ca -0.30 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.79 3pcj h PRO 490 Cb 1.14 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 3pcj h PRO 490 CO 0.85 0.16 -0.01 0.82 -0.21 0.00 0.00 178.00 179.61 3pcj h ILE 491 N 0.08 1.31 0.29 4.15 2.04 -1.92 -2.34 117.51 121.11 3pcj h ILE 491 Ca 0.02 -0.97 0.00 0.00 1.00 0.00 0.00 64.86 64.91 3pcj h ILE 491 Cb 0.19 1.89 -0.02 0.00 -0.74 0.00 0.00 36.82 38.14 3pcj h ILE 491 CO 0.01 0.26 -0.31 0.58 0.00 0.00 0.00 178.15 178.69 3pcj h VAL 492 N -0.30 0.36 0.00 1.67 2.07 -1.79 -1.16 116.25 117.09 3pcj h VAL 492 Ca 0.01 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.53 3pcj h VAL 492 Cb 0.42 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 30.55 3pcj h VAL 492 CO 0.00 0.00 0.01 0.29 0.02 0.00 0.00 177.57 177.89 3pcj n LYS 493 N -5.42 0.00 0.14 1.57 5.02 0.27 -0.38 118.16 119.37 3pcj n LYS 493 Ca -0.09 0.17 0.12 0.00 -2.02 0.00 0.00 58.31 56.49 3pcj n LYS 493 Cb 0.33 -1.51 0.51 0.00 -0.02 0.00 0.00 35.03 34.33 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 -3.53 4.39 4.64 -0.64 -3.38 113.55 115.04 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 0.02 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 61.97 3pcj h SER 494 CO 0.00 0.00 0.26 -0.63 -0.87 0.00 0.00 176.83 175.59 3pcj s ILE 495 N -3.34 4.71 0.18 0.95 1.01 0.49 -3.71 121.20 121.49 3pcj s ILE 495 Ca 0.04 0.20 -0.12 0.00 0.00 0.00 0.00 60.65 60.77 3pcj s ILE 495 Cb 0.09 -4.30 0.09 0.00 0.01 0.00 0.00 42.46 38.35 3pcj s ILE 495 CO 0.41 -0.73 1.77 0.00 0.00 0.00 0.00 174.94 176.40 3pcj h ALA 496 N 8.98 0.78 -2.82 9.38 0.00 -1.84 -3.43 119.26 130.31 3pcj h ALA 496 Ca -0.25 -0.12 -0.58 0.00 0.00 0.00 0.00 54.91 53.95 3pcj h ALA 496 Cb 1.09 -0.24 -0.09 0.00 0.00 0.00 0.00 17.79 18.55 3pcj h ALA 496 CO 0.95 0.33 -0.09 1.21 0.00 0.00 0.00 179.25 181.65 3pcj s ASN 497 N -5.97 6.64 0.51 0.00 3.04 -1.26 -4.98 114.94 112.93 3pcj s ASN 497 Ca -0.13 0.77 0.21 0.00 0.04 0.00 0.00 52.86 53.75 3pcj s ASN 497 Cb 0.13 -2.29 1.34 0.00 -1.54 0.00 0.00 41.25 38.89 3pcj s ASN 497 CO 0.78 -0.08 2.11 -0.65 -3.04 0.00 0.00 177.10 176.22 3pcj h PRO 498 N 7.03 0.00 -0.15 0.43 0.11 -2.00 -0.31 132.00 137.12 3pcj h PRO 498 Ca -0.38 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.62 3pcj h PRO 498 Cb 1.17 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 3pcj h PRO 498 CO 0.75 0.08 -0.42 0.93 -0.21 0.00 0.00 178.00 179.14 3pcj h GLU 499 N 0.00 0.33 -0.13 1.05 3.07 -1.98 -2.79 114.58 114.14 3pcj h GLU 499 Ca -0.00 -0.16 -0.09 0.00 -0.50 0.00 0.00 59.36 58.60 3pcj h GLU 499 Cb 0.17 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.07 3pcj h GLU 499 CO 0.01 0.70 -0.32 0.00 -1.40 0.00 0.00 179.01 177.99 3pcj h ALA 500 N 1.29 1.21 -0.46 3.43 0.00 -1.41 -3.05 119.26 120.27 3pcj h ALA 500 Ca 0.02 -0.35 -0.10 0.00 0.00 0.00 0.00 54.91 54.48 3pcj h ALA 500 Cb 0.85 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 3pcj h ALA 500 CO 0.07 0.53 -0.13 0.28 0.00 0.00 0.00 179.25 179.99 3pcj h VAL 501 N 0.23 1.26 -0.24 0.00 2.07 -1.30 -2.92 116.25 115.35 3pcj h VAL 501 Ca 0.03 -1.23 0.04 0.00 0.82 0.00 0.00 66.70 66.35 3pcj h VAL 501 Cb 0.69 1.05 -0.01 0.00 -1.52 0.00 0.00 31.29 31.50 3pcj h VAL 501 CO 0.05 0.42 0.16 1.56 0.02 0.00 0.00 177.57 179.79 3pcj h GLN 502 N 0.76 0.15 0.00 1.57 1.08 -1.39 -2.17 115.11 115.10 3pcj h GLN 502 Ca 0.12 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.31 3pcj h GLN 502 Cb 0.64 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 28.04 3pcj h GLN 502 CO 0.04 0.10 0.00 1.96 -0.95 0.00 0.00 178.83 179.98 3pcj h GLN 503 N 0.15 0.00 -0.02 1.46 4.20 -1.55 -2.82 115.11 116.53 3pcj h GLN 503 Ca 0.10 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.81 3pcj h GLN 503 Cb 0.22 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.00 3pcj h GLN 503 CO -0.02 0.00 -0.25 1.28 -0.67 0.00 0.00 178.83 179.18 3pcj n LEU 504 N -2.67 1.97 -4.56 1.46 4.77 -0.82 -4.91 117.00 112.24 3pcj n LEU 504 Ca 0.01 -0.67 -0.40 0.00 -0.03 0.00 0.00 56.01 54.92 3pcj n LEU 504 Cb 0.22 -0.03 -0.10 0.00 -2.33 0.00 0.00 43.42 41.18 3pcj n LEU 504 CO 0.22 0.35 -0.08 -0.63 -1.33 0.00 0.00 177.39 175.92 3pcj s ILE 505 N -2.30 5.25 0.17 -0.08 1.01 -1.07 -0.53 121.20 123.65 3pcj s ILE 505 Ca 0.25 0.04 -0.30 0.00 0.00 0.00 0.00 60.65 60.64 3pcj s ILE 505 Cb 0.19 -3.69 -0.08 0.00 0.01 0.00 0.00 42.46 38.90 3pcj s ILE 505 CO 0.46 0.06 1.15 0.00 0.00 0.00 0.00 174.94 176.61 3pcj s ALA 506 N 1.84 3.40 -0.00 9.38 0.00 0.71 -4.85 121.76 132.24 3pcj s ALA 506 Ca 0.09 0.88 -0.15 0.00 0.00 0.00 0.00 51.96 52.77 3pcj s ALA 506 Cb -0.17 -3.39 -0.06 0.00 0.00 0.00 0.00 23.12 19.51 3pcj s ALA 506 CO 0.11 -0.30 0.42 0.15 0.00 0.00 0.00 175.76 176.14 3pcj s LYS 507 N -0.23 3.97 0.34 0.00 -0.14 -1.01 -1.43 119.74 121.25 3pcj s LYS 507 Ca 0.51 0.44 -0.29 0.00 -1.36 0.00 0.00 55.97 55.27 3pcj s LYS 507 Cb -0.31 -3.24 -0.11 0.00 -1.68 0.00 0.00 37.83 32.50 3pcj s LYS 507 CO 0.35 0.65 1.49 -1.17 -0.76 0.00 0.00 175.35 175.92 3pcj s LEU 508 N -0.97 4.34 -0.46 3.17 2.96 -1.26 -0.58 118.68 125.88 3pcj s LEU 508 Ca 0.24 2.97 0.02 0.00 -0.22 0.00 0.00 54.13 57.14 3pcj s LEU 508 Cb -0.17 -3.66 0.14 0.00 0.50 0.00 0.00 46.19 43.01 3pcj s LEU 508 CO 0.14 -0.84 0.27 -0.62 -1.32 0.00 0.00 176.35 173.98 3pcj s ASP 509 N -0.00 3.54 0.54 3.68 2.15 0.82 -4.81 116.67 122.58 3pcj s ASP 509 Ca 0.55 -2.77 0.26 0.00 0.43 0.00 0.00 52.55 51.02 3pcj s ASP 509 Cb -0.46 -1.02 1.52 0.00 -0.30 0.00 0.00 42.92 42.66 3pcj s ASP 509 CO 0.57 -0.24 2.13 0.24 -0.17 0.00 0.00 175.17 177.70 3pcj h MET 510 N 6.51 0.00 -0.09 4.34 2.86 -1.93 -2.68 114.93 123.94 3pcj h MET 510 Ca 0.03 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.56 3pcj h MET 510 Cb 0.91 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.56 3pcj h MET 510 CO 0.49 0.08 -0.44 -0.91 1.06 0.00 0.00 176.91 177.19 3pcj h ASN 511 N 0.00 0.21 0.29 1.22 2.35 -1.95 -3.09 115.58 114.61 3pcj h ASN 511 Ca -0.00 -0.09 0.00 0.00 -0.55 0.00 0.00 56.30 55.66 3pcj h ASN 511 Cb 0.21 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.52 3pcj h ASN 511 CO 0.01 0.63 -0.42 -3.20 -1.65 0.00 0.00 177.43 172.80 3pcj n ASN 512 N -4.00 0.92 -4.80 5.81 5.15 -1.02 -4.96 115.26 112.36 3pcj n ASN 512 Ca -0.02 -0.73 -0.34 0.00 -0.60 0.00 0.00 54.58 52.90 3pcj n ASN 512 Cb 0.50 0.28 -0.05 0.00 -0.53 0.00 0.00 39.78 39.98 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 -2.72 2.93 -0.42 5.20 0.00 -1.17 -4.76 121.76 120.82 3pcj s ALA 513 Ca 0.18 0.55 -0.15 0.00 0.00 0.00 0.00 51.96 52.54 3pcj s ALA 513 Cb 0.18 -3.22 0.03 0.00 0.00 0.00 0.00 23.12 20.11 3pcj s ALA 513 CO 0.62 -0.18 0.31 -0.80 0.00 0.00 0.00 175.76 175.71 3pcj s ASN 514 N -2.02 6.11 0.39 0.00 0.01 -0.17 -5.00 114.94 114.26 3pcj s ASN 514 Ca 0.65 -0.96 -0.25 0.00 -0.71 0.00 0.00 52.86 51.59 3pcj s ASN 514 Cb -0.14 -2.16 -0.12 0.00 0.41 0.00 0.00 41.25 39.24 3pcj s ASN 514 CO 0.18 -0.48 0.94 -2.65 -1.51 0.00 0.00 177.10 173.58 3pcj n PRO 515 N 5.16 1.22 -1.59 -0.60 -0.02 -1.26 -1.14 135.00 136.77 3pcj n PRO 515 Ca -0.11 0.44 -0.19 0.00 -2.02 0.00 0.00 63.50 61.62 3pcj n PRO 515 Cb 0.47 -1.91 -0.08 0.00 -0.02 0.00 0.00 33.50 31.96 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 0.35 -1.43 0.06 -0.52 2.81 -1.26 -4.69 117.12 112.43 3pcj n MET 516 Ca 0.10 1.11 0.00 0.00 -1.81 0.00 0.00 57.70 57.10 3pcj n MET 516 Cb 0.37 -5.47 0.00 0.00 -0.71 0.00 0.00 33.22 27.41 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 -1.19 -0.07 -3.75 7.83 2.03 -0.29 -5.16 116.55 115.94 3pcj n ASP 517 Ca -0.19 0.20 -0.13 0.00 0.52 0.00 0.00 54.79 55.20 3pcj n ASP 517 Cb 0.62 0.17 -0.08 0.00 -0.72 0.00 0.00 41.12 41.12 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 -1.65 2.89 0.02 0.00 1.43 -0.73 -1.00 118.68 119.65 3pcj s LEU 519 Ca -0.10 -0.09 -0.04 0.00 -1.03 0.00 0.00 54.13 52.88 3pcj s LEU 519 Cb -0.03 -2.21 -0.01 0.00 0.03 0.00 0.00 46.19 43.97 3pcj s LEU 519 CO 0.01 -2.09 0.05 0.00 0.23 0.00 0.00 176.35 174.56 3pcj s ALA 520 N -3.37 -0.01 0.01 4.21 0.00 -1.26 -0.67 121.76 120.67 3pcj s ALA 520 Ca 0.68 -0.52 0.04 0.00 0.00 0.00 0.00 51.96 52.16 3pcj s ALA 520 Cb -0.05 0.18 -0.01 0.00 0.00 0.00 0.00 23.12 23.23 3pcj s ALA 520 CO 0.47 -0.24 -0.12 0.71 0.00 0.00 0.00 175.76 176.58 3pcj s TYR 521 N -2.02 1.05 -0.08 0.00 2.02 0.76 -0.13 117.35 118.96 3pcj s TYR 521 Ca -0.10 -0.27 0.02 0.00 -0.37 0.00 0.00 57.07 56.35 3pcj s TYR 521 Cb -0.05 -0.65 -0.02 0.00 -0.40 0.00 0.00 41.96 40.84 3pcj s TYR 521 CO -0.02 -0.00 -0.14 0.50 -1.57 0.00 0.00 175.55 174.31 3pcj s ARG 522 N -0.67 2.82 -0.25 -0.62 6.06 0.26 -1.46 118.95 125.09 3pcj s ARG 522 Ca 0.02 -0.70 -0.03 0.00 -2.50 0.00 0.00 55.73 52.52 3pcj s ARG 522 Cb -0.06 -2.46 0.10 0.00 0.06 0.00 0.00 34.95 32.59 3pcj s ARG 522 CO 0.00 0.46 0.20 0.12 -2.50 0.00 0.00 175.30 173.59 3pcj s PHE 523 N -0.31 -0.09 0.12 5.12 5.36 0.34 -2.39 117.98 126.12 3pcj s PHE 523 Ca 0.03 -0.29 -0.07 0.00 -0.96 0.00 0.00 56.93 55.64 3pcj s PHE 523 Cb -0.13 -0.59 -0.06 0.00 -0.34 0.00 0.00 43.02 41.90 3pcj s PHE 523 CO 0.03 -0.75 0.38 -0.51 -1.46 0.00 0.00 175.22 172.91 3pcj s ASP 524 N 2.24 6.54 -0.05 6.13 1.01 -1.26 -3.78 116.67 127.51 3pcj s ASP 524 Ca 0.08 0.66 0.03 0.00 0.71 0.00 0.00 52.55 54.03 3pcj s ASP 524 Cb -0.15 -2.12 0.01 0.00 1.01 0.00 0.00 42.92 41.66 3pcj s ASP 524 CO -0.25 0.09 -0.12 -0.63 0.21 0.00 0.00 175.17 174.48 3pcj s ILE 525 N -1.57 1.04 -0.26 0.77 1.01 -0.34 -4.93 121.20 116.92 3pcj s ILE 525 Ca 0.38 -0.46 -0.05 0.00 0.00 0.00 0.00 60.65 60.52 3pcj s ILE 525 Cb -0.13 -0.94 0.01 0.00 0.01 0.00 0.00 42.46 41.41 3pcj s ILE 525 CO 0.22 0.32 0.01 -0.69 0.00 0.00 0.00 174.94 174.81 3pcj s VAL 526 N 0.42 3.58 0.47 2.92 1.01 -1.25 -0.94 120.40 126.61 3pcj s VAL 526 Ca -0.09 -0.69 0.04 0.00 0.00 0.00 0.00 61.98 61.24 3pcj s VAL 526 Cb -0.13 -2.78 0.02 0.00 0.00 0.00 0.00 36.38 33.49 3pcj s VAL 526 CO 0.02 0.21 0.66 -0.76 0.00 0.00 0.00 175.10 175.23 3pcj s LEU 527 N 1.46 3.51 0.27 3.92 1.43 0.15 -4.91 118.68 124.52 3pcj s LEU 527 Ca 0.03 -0.14 -0.28 0.00 -1.03 0.00 0.00 54.13 52.70 3pcj s LEU 527 Cb -0.16 -2.81 -0.14 0.00 0.03 0.00 0.00 46.19 43.10 3pcj s LEU 527 CO -0.01 -0.90 1.00 0.54 0.23 0.00 0.00 176.35 177.22 3pcj n ARG 528 N -2.08 1.28 -1.90 1.70 1.74 -1.26 -1.56 116.66 114.58 3pcj n ARG 528 Ca 0.07 0.45 -0.41 0.00 -0.77 0.00 0.00 57.85 57.18 3pcj n ARG 528 Cb 0.59 -1.81 -0.02 0.00 -1.02 0.00 0.00 32.46 30.20 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 -0.52 2.14 -0.10 -0.13 0.00 -1.26 -4.27 107.32 103.18 3pcj s GLY 529 Ca 0.60 1.44 -0.03 0.00 0.00 0.00 0.00 44.72 46.73 3pcj s GLY 529 CO 0.59 2.44 0.01 1.62 0.00 0.00 0.00 173.10 177.75 3pcj s GLN 530 N -0.24 3.14 0.08 2.90 0.74 -1.26 -1.49 119.66 123.53 3pcj s GLN 530 Ca 0.62 -0.41 -0.04 0.00 0.05 0.00 0.00 55.36 55.59 3pcj s GLN 530 Cb -0.45 -2.85 -0.03 0.00 1.10 0.00 0.00 33.01 30.79 3pcj s GLN 530 CO 0.44 0.62 0.06 -0.98 -0.55 0.00 0.00 175.29 174.88 3pcj s ARG 531 N -0.66 0.74 0.52 1.67 1.70 0.22 -4.97 118.95 118.17 3pcj s ARG 531 Ca 0.11 -1.16 -0.13 0.00 -0.47 0.00 0.00 55.73 54.08 3pcj s ARG 531 Cb -0.12 0.26 -0.06 0.00 -0.57 0.00 0.00 34.95 34.46 3pcj s ARG 531 CO 0.02 -0.19 0.95 -1.59 -1.08 0.00 0.00 175.30 173.41 3pcj s LYS 532 N -3.92 3.79 0.59 3.89 -2.85 -1.26 0.13 119.74 120.11 3pcj s LYS 532 Ca 0.09 0.76 -0.14 0.00 -1.00 0.00 0.00 55.97 55.67 3pcj s LYS 532 Cb 0.07 -2.18 -0.04 0.00 -2.06 0.00 0.00 37.83 33.62 3pcj s LYS 532 CO -0.09 -0.31 1.03 0.95 0.10 0.00 0.00 175.35 177.04 3pcj s THR 533 N -2.75 4.18 -0.17 3.79 -4.23 -1.22 -4.70 115.64 110.53 3pcj s THR 533 Ca 0.56 0.93 -0.15 0.00 -1.18 0.00 0.00 61.69 61.84 3pcj s THR 533 Cb -0.10 -3.55 0.05 0.00 1.34 0.00 0.00 72.50 70.24 3pcj s THR 533 CO 0.39 -0.71 0.45 -1.38 -0.54 0.00 0.00 174.62 172.83 3pcj s HIS 534 N -2.71 -0.52 -1.38 3.99 -3.43 -1.26 -4.89 115.29 105.09 3pcj s HIS 534 Ca 0.60 1.25 0.00 0.00 -0.80 0.00 0.00 55.06 56.11 3pcj s HIS 534 Cb -0.13 0.19 0.00 0.00 -1.43 0.00 0.00 32.58 31.21 3pcj s HIS 534 CO 0.41 -0.26 0.00 1.19 -2.00 0.00 0.00 174.74 174.08 3pcj n PHE 535 N 3.04 -0.67 1.20 0.38 3.72 -1.26 -5.25 117.46 118.63 3pcj n PHE 535 Ca -0.15 0.00 0.10 0.00 -0.05 0.00 0.00 57.45 57.35 3pcj n PHE 535 Cb 0.57 -2.76 0.57 0.00 -0.94 0.00 0.00 39.48 36.91 3pcj n PHE 535 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10