#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3pck s ALA 302 N 0.00 2.43 0.03 0.55 0.00 -1.26 -5.08 121.76 118.42 3pck s ALA 302 Ca 0.00 -0.00 0.01 0.00 0.00 0.00 0.00 51.96 51.97 3pck s ALA 302 Cb 0.00 -3.16 -0.02 0.00 0.00 0.00 0.00 23.12 19.94 3pck s ALA 302 CO 0.00 -1.52 -0.05 -0.65 0.00 0.00 0.00 175.76 173.55 3pck s GLN 303 N -5.06 0.38 -1.00 0.00 -0.21 -1.26 -5.10 119.66 107.41 3pck s GLN 303 Ca 0.60 -0.65 -0.23 0.00 0.02 0.00 0.00 55.36 55.10 3pck s GLN 303 Cb -0.15 -0.04 0.06 0.00 1.00 0.00 0.00 33.01 33.89 3pck s GLN 303 CO 0.55 -0.01 1.40 0.34 -2.12 0.00 0.00 175.29 175.45 3pck s ASP 304 N -1.46 6.51 0.00 5.90 2.15 -1.26 -4.63 116.67 123.88 3pck s ASP 304 Ca -0.13 -1.50 0.00 0.00 0.43 0.00 0.00 52.55 51.34 3pck s ASP 304 Cb -0.10 -2.55 0.00 0.00 -0.30 0.00 0.00 42.92 39.97 3pck s ASP 304 CO -0.00 -1.46 0.13 -0.46 -0.17 0.00 0.00 175.17 173.20 3pck n ASN 305 N 8.60 0.26 -4.61 -0.34 0.23 -1.26 -5.04 115.26 113.09 3pck n ASN 305 Ca 0.31 -0.59 -0.23 0.00 -0.53 0.00 0.00 54.58 53.54 3pck n ASN 305 Cb 0.51 0.45 -0.08 0.00 -2.08 0.00 0.00 39.78 38.58 3pck n ASN 305 CO 0.00 0.00 0.00 -0.44 -0.93 0.00 0.00 177.26 175.89 3pck s SER 306 N -0.45 4.35 0.07 0.53 0.01 -1.26 -3.33 113.70 113.62 3pck s SER 306 Ca 0.00 -0.73 0.03 0.00 1.31 0.00 0.00 55.95 56.56 3pck s SER 306 Cb 0.00 -0.73 -0.03 0.00 0.21 0.00 0.00 66.02 65.47 3pck s SER 306 CO 0.00 0.00 -0.10 -0.13 0.41 0.00 0.00 173.24 173.42 3pck s ARG 307 N -3.64 0.73 -0.02 12.44 1.81 0.50 -4.86 118.95 125.91 3pck s ARG 307 Ca 0.31 -0.99 0.05 0.00 -1.72 0.00 0.00 55.73 53.38 3pck s ARG 307 Cb -0.06 -0.49 -0.01 0.00 -0.45 0.00 0.00 34.95 33.94 3pck s ARG 307 CO 0.19 0.09 -0.17 -0.06 -0.68 0.00 0.00 175.30 174.67 3pck s PHE 308 N -1.92 1.56 0.10 -0.53 0.40 -1.26 -1.37 117.98 114.96 3pck s PHE 308 Ca -0.01 -0.35 -0.35 0.00 -0.60 0.00 0.00 56.93 55.62 3pck s PHE 308 Cb -0.06 -1.03 -0.14 0.00 0.51 0.00 0.00 43.02 42.30 3pck s PHE 308 CO 0.00 -0.08 1.58 0.28 0.70 0.00 0.00 175.22 177.71 3pck n VAL 309 N 2.86 0.09 -1.65 -0.44 0.31 -0.77 -4.88 118.33 113.85 3pck n VAL 309 Ca -0.16 -0.02 -0.45 0.00 -0.01 0.00 0.00 64.34 63.71 3pck n VAL 309 Cb 0.54 -1.44 -0.02 0.00 -0.91 0.00 0.00 33.84 32.01 3pck n VAL 309 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 3pck n ILE 310 N 3.54 1.42 -2.33 2.52 2.08 -1.26 -4.76 119.36 120.57 3pck n ILE 310 Ca 0.18 -0.36 -0.37 0.00 0.56 0.00 0.00 62.75 62.77 3pck n ILE 310 Cb 0.26 -1.31 -0.02 0.00 -0.75 0.00 0.00 39.64 37.83 3pck n ILE 310 CO 0.00 0.00 0.00 -0.13 0.56 0.00 0.00 176.55 176.98 3pck s ARG 311 N -1.01 3.81 -0.52 0.38 0.52 -1.26 -4.98 118.95 115.89 3pck s ARG 311 Ca 0.64 1.69 -0.18 0.00 -0.52 0.00 0.00 55.73 57.36 3pck s ARG 311 Cb -0.67 -2.39 0.08 0.00 0.52 0.00 0.00 34.95 32.49 3pck s ARG 311 CO 0.55 -0.49 0.57 0.34 0.02 0.00 0.00 175.30 176.29 3pck s ASP 312 N -1.46 6.19 0.00 0.23 2.15 -1.26 -4.93 116.67 117.60 3pck s ASP 312 Ca 0.63 -1.23 0.07 0.00 0.43 0.00 0.00 52.55 52.46 3pck s ASP 312 Cb -0.26 -2.25 0.43 0.00 -0.30 0.00 0.00 42.92 40.53 3pck s ASP 312 CO 0.32 -0.87 1.28 0.54 -0.17 0.00 0.00 175.17 176.27 3pck n ARG 313 N 5.84 1.02 -0.01 4.34 1.74 -1.26 -2.42 116.66 125.91 3pck n ARG 313 Ca -0.10 -0.03 0.08 0.00 -0.77 0.00 0.00 57.85 57.04 3pck n ARG 313 Cb 0.44 -1.12 -0.12 0.00 -1.02 0.00 0.00 32.46 30.64 3pck n ARG 313 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3pck n ASN 314 N -0.59 1.30 -0.07 0.55 3.02 -1.26 -4.47 115.26 113.75 3pck n ASN 314 Ca 0.06 -0.10 -0.14 0.00 -0.03 0.00 0.00 54.58 54.36 3pck n ASN 314 Cb 0.03 1.64 -0.13 0.00 -0.61 0.00 0.00 39.78 40.71 3pck n ASN 314 CO 0.00 0.00 0.00 -0.25 -2.62 0.00 0.00 177.26 174.39 3pck h TRP 315 N 0.00 0.00 -4.32 3.10 2.91 -1.90 -3.43 115.95 112.31 3pck h TRP 315 Ca 0.00 0.00 -0.51 0.00 1.13 0.00 0.00 58.89 59.51 3pck h TRP 315 Cb 0.68 0.00 0.12 0.00 -0.51 0.00 0.00 29.16 29.46 3pck h TRP 315 CO 0.00 1.01 0.33 -1.01 -1.03 0.00 0.00 178.44 177.74 3pck s HIS 316 N -2.22 2.69 0.52 2.65 3.76 -1.12 -4.67 115.29 116.91 3pck s HIS 316 Ca -0.19 1.52 -0.21 0.00 -0.15 0.00 0.00 55.06 56.04 3pck s HIS 316 Cb -0.03 -3.01 -0.06 0.00 1.11 0.00 0.00 32.58 30.59 3pck s HIS 316 CO 0.68 -1.68 1.15 -1.25 -0.85 0.00 0.00 174.74 172.79 3pck s PRO 317 N -4.94 3.48 0.75 8.40 0.04 -1.26 -4.76 135.00 136.72 3pck s PRO 317 Ca 0.60 1.69 -0.10 0.00 0.04 0.00 0.00 61.00 63.23 3pck s PRO 317 Cb -0.16 -2.15 0.06 0.00 0.04 0.00 0.00 34.50 32.28 3pck s PRO 317 CO 0.56 -0.76 1.11 0.15 0.04 0.00 0.00 177.00 178.10 3pck s LYS 318 N -3.07 2.26 0.04 4.56 -0.14 -1.24 -4.99 119.74 117.16 3pck s LYS 318 Ca 0.70 0.11 -0.23 0.00 -1.36 0.00 0.00 55.97 55.18 3pck s LYS 318 Cb -0.26 -2.03 -0.16 0.00 -1.68 0.00 0.00 37.83 33.70 3pck s LYS 318 CO 0.30 -1.35 1.48 0.00 -0.76 0.00 0.00 175.35 175.02 3pck h ALA 319 N -0.83 0.07 -2.50 5.17 0.00 -1.95 -3.41 119.26 115.81 3pck h ALA 319 Ca -0.45 -0.16 -0.71 0.00 0.00 0.00 0.00 54.91 53.58 3pck h ALA 319 Cb 1.31 -0.02 -0.21 0.00 0.00 0.00 0.00 17.79 18.87 3pck h ALA 319 CO 0.64 -0.27 -0.41 -1.17 0.00 0.00 0.00 179.25 178.04 3pck s LEU 320 N -9.60 5.04 -0.46 0.00 2.96 -1.26 -4.75 118.68 110.61 3pck s LEU 320 Ca -0.14 -0.84 0.03 0.00 -0.22 0.00 0.00 54.13 52.96 3pck s LEU 320 Cb 0.04 -2.18 0.16 0.00 0.50 0.00 0.00 46.19 44.71 3pck s LEU 320 CO 0.68 -0.45 0.34 0.42 -1.32 0.00 0.00 176.35 176.02 3pck s THR 321 N 1.73 0.86 0.41 3.68 -4.23 -1.26 -5.04 115.64 111.79 3pck s THR 321 Ca 0.06 -2.79 0.29 0.00 -1.18 0.00 0.00 61.69 58.07 3pck s THR 321 Cb -0.19 -1.59 0.45 0.00 1.34 0.00 0.00 72.50 72.51 3pck s THR 321 CO 0.10 -1.13 1.47 -2.65 -0.54 0.00 0.00 174.62 171.88 3pck n PRO 322 N 2.94 -0.04 0.28 3.99 -0.02 -1.26 -0.33 135.00 140.56 3pck n PRO 322 Ca 0.23 1.20 0.16 0.00 -2.02 0.00 0.00 63.50 63.07 3pck n PRO 322 Cb 0.43 -2.33 0.76 0.00 -0.02 0.00 0.00 33.50 32.34 3pck n PRO 322 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3pck h ASP 323 N 0.00 0.00 -3.72 2.55 3.32 -1.96 -3.25 116.42 113.37 3pck h ASP 323 Ca 0.83 0.00 -0.79 0.00 0.02 0.00 0.00 57.03 57.09 3pck h ASP 323 Cb 2.60 0.00 -0.26 0.00 0.22 0.00 0.00 39.33 41.89 3pck h ASP 323 CO -0.48 0.07 0.20 -0.47 -1.72 0.00 0.00 179.24 176.84 3pck s TYR 324 N -3.90 3.83 0.29 4.55 5.04 0.55 -4.83 117.35 122.88 3pck s TYR 324 Ca -0.01 -2.09 -0.01 0.00 -2.44 0.00 0.00 57.07 52.52 3pck s TYR 324 Cb 0.11 -3.85 0.65 0.00 0.35 0.00 0.00 41.96 39.23 3pck s TYR 324 CO 0.54 -1.01 1.52 1.63 -1.34 0.00 0.00 175.55 176.90 3pck n LYS 325 N 3.87 -0.08 0.23 4.97 5.02 -1.23 -1.63 118.16 129.31 3pck n LYS 325 Ca 0.16 1.48 0.08 0.00 -2.02 0.00 0.00 58.31 58.01 3pck n LYS 325 Cb 0.46 -2.30 0.55 0.00 -0.02 0.00 0.00 35.03 33.72 3pck n LYS 325 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 3pck h THR 326 N 0.00 0.89 0.00 -0.18 2.02 -1.92 -2.22 112.91 111.49 3pck h THR 326 Ca 0.55 -0.80 -0.01 0.00 0.77 0.00 0.00 66.41 66.92 3pck h THR 326 Cb 1.06 1.47 -0.00 0.00 -1.74 0.00 0.00 68.15 68.94 3pck h THR 326 CO -0.94 0.21 -0.03 0.77 0.37 0.00 0.00 175.52 175.89 3pck h SER 327 N 0.00 0.00 0.01 4.18 4.64 -1.61 -2.94 113.55 117.82 3pck h SER 327 Ca -0.00 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 61.35 3pck h SER 327 Cb 0.45 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.49 3pck h SER 327 CO 0.03 0.03 -0.37 0.40 -0.87 0.00 0.00 176.83 176.06 3pck h ILE 328 N 0.00 0.23 -0.01 0.95 2.04 -1.54 -2.47 117.51 116.71 3pck h ILE 328 Ca -0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 3pck h ILE 328 Cb 0.10 0.23 0.00 0.00 -0.74 0.00 0.00 36.82 36.42 3pck h ILE 328 CO 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 178.15 178.01 3pck n ALA 329 N -2.82 2.85 -1.90 1.87 0.00 -1.22 -4.22 120.51 115.07 3pck n ALA 329 Ca -0.05 -0.33 -0.17 0.00 0.00 0.00 0.00 53.44 52.89 3pck n ALA 329 Cb 0.35 -1.25 0.07 0.00 0.00 0.00 0.00 19.45 18.62 3pck n ALA 329 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3pck n ARG 330 N -0.73 3.08 -4.21 0.00 1.74 -0.95 -4.98 116.66 110.61 3pck n ARG 330 Ca 0.14 -3.93 -0.18 0.00 -0.77 0.00 0.00 57.85 53.11 3pck n ARG 330 Cb 0.31 -2.11 -0.15 0.00 -1.02 0.00 0.00 32.46 29.48 3pck n ARG 330 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3pck s SER 331 N -3.47 0.84 0.78 0.55 1.04 -1.10 -4.92 113.70 107.42 3pck s SER 331 Ca 0.48 -0.12 -0.13 0.00 0.48 0.00 0.00 55.95 56.66 3pck s SER 331 Cb 0.40 -0.23 0.07 0.00 0.10 0.00 0.00 66.02 66.36 3pck s SER 331 CO 0.01 0.03 1.16 -2.84 0.98 0.00 0.00 173.24 172.58 3pck s PRO 332 N 0.27 1.90 -0.05 4.02 0.02 -1.26 -4.95 135.00 134.94 3pck s PRO 332 Ca -0.03 1.58 0.15 0.00 0.02 0.00 0.00 61.00 62.71 3pck s PRO 332 Cb -0.07 -1.82 -0.22 0.00 0.02 0.00 0.00 34.50 32.40 3pck s PRO 332 CO -0.00 -1.98 0.26 0.54 -0.33 0.00 0.00 177.00 175.49 3pck n ARG 333 N -3.24 0.77 -2.57 5.54 5.12 -1.26 -4.93 116.66 116.08 3pck n ARG 333 Ca 0.12 -0.11 -0.27 0.00 -1.93 0.00 0.00 57.85 55.66 3pck n ARG 333 Cb 0.51 -1.36 0.01 0.00 -1.16 0.00 0.00 32.46 30.46 3pck n ARG 333 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 3pck s GLN 334 N -2.88 3.43 0.53 5.56 -1.52 -1.26 -5.05 119.66 118.47 3pck s GLN 334 Ca -0.06 0.17 -0.18 0.00 -1.95 0.00 0.00 55.36 53.34 3pck s GLN 334 Cb 0.08 -2.35 -0.07 0.00 -0.22 0.00 0.00 33.01 30.46 3pck s GLN 334 CO 0.62 -0.31 1.03 0.00 -0.25 0.00 0.00 175.29 176.38 3pck s ALA 335 N -2.80 2.88 0.62 6.09 0.00 -1.26 -5.00 121.76 122.29 3pck s ALA 335 Ca 0.49 0.41 -0.18 0.00 0.00 0.00 0.00 51.96 52.68 3pck s ALA 335 Cb -0.10 -3.20 -0.02 0.00 0.00 0.00 0.00 23.12 19.79 3pck s ALA 335 CO 0.45 -0.45 1.18 -0.51 0.00 0.00 0.00 175.76 176.43 3pck s LEU 336 N -3.98 3.58 -0.30 0.00 1.43 -1.26 -4.99 118.68 113.15 3pck s LEU 336 Ca 0.63 2.29 -0.13 0.00 -1.03 0.00 0.00 54.13 55.89 3pck s LEU 336 Cb -0.14 -4.59 -0.03 0.00 0.03 0.00 0.00 46.19 41.46 3pck s LEU 336 CO 0.28 -1.65 0.27 -0.69 0.23 0.00 0.00 176.35 174.80 3pck s VAL 337 N -1.81 5.25 0.19 -1.59 1.01 -1.26 -5.07 120.40 117.12 3pck s VAL 337 Ca 0.74 0.12 -0.30 0.00 0.00 0.00 0.00 61.98 62.55 3pck s VAL 337 Cb -0.27 -3.66 -0.08 0.00 0.00 0.00 0.00 36.38 32.37 3pck s VAL 337 CO 0.35 0.10 1.05 -0.44 0.00 0.00 0.00 175.10 176.17 3pck s SER 338 N 1.73 7.37 0.05 3.32 0.01 -1.26 -5.06 113.70 119.86 3pck s SER 338 Ca 0.09 2.03 0.03 0.00 1.31 0.00 0.00 55.95 59.41 3pck s SER 338 Cb -0.16 -2.60 -0.03 0.00 0.21 0.00 0.00 66.02 63.44 3pck s SER 338 CO 0.11 -0.12 -0.09 0.27 0.41 0.00 0.00 173.24 173.81 3pck s ILE 339 N -0.44 0.67 0.72 1.44 -4.36 -1.26 -5.14 121.20 112.83 3pck s ILE 339 Ca 0.47 -1.16 -0.15 0.00 -0.26 0.00 0.00 60.65 59.56 3pck s ILE 339 Cb -0.28 -0.75 0.03 0.00 1.25 0.00 0.00 42.46 42.72 3pck s ILE 339 CO 0.34 -0.36 1.17 -2.16 0.24 0.00 0.00 174.94 174.16 3pck s PRO 340 N -1.69 2.31 0.23 0.37 0.04 -1.26 -4.97 135.00 130.03 3pck s PRO 340 Ca -0.07 1.60 -0.30 0.00 0.04 0.00 0.00 61.00 62.27 3pck s PRO 340 Cb -0.10 -1.87 -0.09 0.00 0.04 0.00 0.00 34.50 32.49 3pck s PRO 340 CO 0.01 -1.67 1.01 -0.65 0.04 0.00 0.00 177.00 175.74 3pck s GLN 341 N -4.04 4.75 0.26 4.56 -0.21 -1.26 -5.02 119.66 118.69 3pck s GLN 341 Ca 0.71 1.61 0.04 0.00 0.02 0.00 0.00 55.36 57.74 3pck s GLN 341 Cb -0.25 -3.26 -0.02 0.00 1.00 0.00 0.00 33.01 30.48 3pck s GLN 341 CO 0.45 0.35 0.15 -1.13 -2.12 0.00 0.00 175.29 172.99 3pck n SER 342 N 1.61 0.34 0.18 5.90 3.41 -1.26 -5.01 113.62 118.80 3pck n SER 342 Ca -0.01 -2.55 0.05 0.00 -0.26 0.00 0.00 58.87 56.10 3pck n SER 342 Cb 0.46 0.95 0.51 0.00 -0.26 0.00 0.00 64.21 65.87 3pck n SER 342 CO 0.00 0.00 0.00 -0.29 -0.16 0.00 0.00 175.04 174.59 3pck h ILE 343 N 1.62 1.10 -0.96 -1.33 2.10 -1.96 -0.52 117.51 117.56 3pck h ILE 343 Ca -0.20 -0.43 0.09 0.00 1.08 0.00 0.00 64.86 65.40 3pck h ILE 343 Cb 0.86 1.11 -0.07 0.00 -1.09 0.00 0.00 36.82 37.63 3pck h ILE 343 CO 0.30 0.13 0.60 0.28 -1.08 0.00 0.00 178.15 178.39 3pck h SER 344 N 0.12 0.92 0.30 2.19 0.02 -1.96 -2.92 113.55 112.22 3pck h SER 344 Ca 0.03 0.03 -0.13 0.00 -0.84 0.00 0.00 61.79 60.88 3pck h SER 344 Cb 0.20 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.55 3pck h SER 344 CO 0.01 0.55 -1.82 -0.62 -1.14 0.00 0.00 176.83 173.81 3pck n GLU 345 N -4.59 0.65 0.00 3.45 4.71 -0.59 -4.40 120.64 119.87 3pck n GLU 345 Ca 0.16 -0.01 0.14 0.00 -0.01 0.00 0.00 57.16 57.43 3pck n GLU 345 Cb 0.25 -1.63 0.47 0.00 -1.01 0.00 0.00 31.44 29.52 3pck n GLU 345 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 177.13 177.47 3pck n THR 346 N -2.58 0.00 -4.52 2.62 -2.24 -0.31 -3.01 114.28 104.25 3pck n THR 346 Ca -0.12 -0.28 -0.26 0.00 -2.27 0.00 0.00 64.05 61.12 3pck n THR 346 Cb 0.77 0.62 -0.10 0.00 -2.10 0.00 0.00 70.33 69.51 3pck n THR 346 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3pck s THR 347 N -2.01 2.22 0.09 4.28 -4.23 -1.11 -4.71 115.64 110.18 3pck s THR 347 Ca 0.36 -2.09 -0.27 0.00 -1.18 0.00 0.00 61.69 58.52 3pck s THR 347 Cb 0.21 -2.79 0.09 0.00 1.34 0.00 0.00 72.50 71.34 3pck s THR 347 CO 0.34 -0.13 1.09 -0.83 -0.54 0.00 0.00 174.62 174.55 3pck s GLY 348 N -3.67 -0.25 0.51 3.99 0.00 -1.23 -1.73 107.32 104.94 3pck s GLY 348 Ca 0.34 0.26 -0.21 0.00 0.00 0.00 0.00 44.72 45.12 3pck s GLY 348 CO 0.18 0.47 1.15 2.56 0.00 0.00 0.00 173.10 177.45 3pck s PRO 349 N -2.83 3.50 -0.18 2.90 0.04 -1.26 -4.82 135.00 132.35 3pck s PRO 349 Ca 0.14 1.69 0.00 0.00 0.04 0.00 0.00 61.00 62.88 3pck s PRO 349 Cb 0.01 -2.16 0.01 0.00 0.04 0.00 0.00 34.50 32.40 3pck s PRO 349 CO 0.00 -0.75 -0.18 1.21 0.04 0.00 0.00 177.00 177.33 3pck s ASN 350 N -1.60 3.32 -0.34 6.66 3.84 -1.26 -4.86 114.94 120.71 3pck s ASN 350 Ca 0.69 -0.60 0.09 0.00 0.21 0.00 0.00 52.86 53.26 3pck s ASN 350 Cb -0.26 -1.52 0.75 0.00 -0.55 0.00 0.00 41.25 39.67 3pck s ASN 350 CO 0.30 0.01 1.83 0.49 -2.79 0.00 0.00 177.10 176.94 3pck n PHE 351 N 4.55 2.56 -0.29 0.43 3.72 -1.26 -4.57 117.46 122.60 3pck n PHE 351 Ca -0.20 -1.26 0.11 0.00 -0.05 0.00 0.00 57.45 56.05 3pck n PHE 351 Cb 0.50 -0.72 0.35 0.00 -0.94 0.00 0.00 39.48 38.67 3pck n PHE 351 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 3pck h SER 352 N 2.57 0.71 -0.51 4.37 0.02 -1.95 -1.52 113.55 117.24 3pck h SER 352 Ca 0.30 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.30 3pck h SER 352 Cb 2.41 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 64.85 3pck h SER 352 CO 0.79 0.36 0.00 1.41 -1.14 0.00 0.00 176.83 178.24 3pck n HIS 353 N -4.59 0.88 -2.18 3.45 8.25 -1.26 -4.95 115.22 114.82 3pck n HIS 353 Ca 0.18 -0.39 -0.39 0.00 -0.26 0.00 0.00 57.72 56.86 3pck n HIS 353 Cb 0.46 -0.08 -0.01 0.00 1.12 0.00 0.00 29.99 31.47 3pck n HIS 353 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 3pck s LEU 354 N -1.21 4.20 -0.88 2.41 2.96 -0.58 -4.92 118.68 120.66 3pck s LEU 354 Ca 0.37 2.48 -0.21 0.00 -0.22 0.00 0.00 54.13 56.54 3pck s LEU 354 Cb 0.21 -3.98 0.09 0.00 0.50 0.00 0.00 46.19 43.01 3pck s LEU 354 CO 0.22 -0.77 1.18 -0.83 -1.32 0.00 0.00 176.35 174.83 3pck s GLY 355 N -0.97 1.57 0.07 7.98 0.00 -1.26 -5.00 107.32 109.71 3pck s GLY 355 Ca 0.57 -2.35 -0.26 0.00 0.00 0.00 0.00 44.72 42.68 3pck s GLY 355 CO 0.43 2.23 0.82 -1.36 0.00 0.00 0.00 173.10 175.23 3pck s PHE 356 N 3.76 3.76 0.63 1.90 0.08 -1.26 -5.05 117.98 121.80 3pck s PHE 356 Ca 0.34 1.57 -0.15 0.00 0.12 0.00 0.00 56.93 58.81 3pck s PHE 356 Cb -0.06 -2.88 -0.02 0.00 -0.57 0.00 0.00 43.02 39.48 3pck s PHE 356 CO -0.04 0.26 1.08 0.20 -0.10 0.00 0.00 175.22 176.62 3pck s GLY 357 N -0.08 2.09 0.36 4.36 0.00 -1.26 -4.94 107.32 107.84 3pck s GLY 357 Ca 0.41 0.41 0.04 0.00 0.00 0.00 0.00 44.72 45.58 3pck s GLY 357 CO 0.25 0.74 2.00 0.00 0.00 0.00 0.00 173.10 176.09 3pck h ALA 358 N 0.17 1.60 -0.38 3.20 0.00 -2.03 -2.60 119.26 119.22 3pck h ALA 358 Ca -0.46 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3pck h ALA 358 Cb 1.23 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.78 3pck h ALA 358 CO 0.56 0.34 0.00 0.72 0.00 0.00 0.00 179.25 180.87 3pck n HIS 359 N -4.45 1.35 -0.32 0.00 8.25 -1.26 -4.72 115.22 114.06 3pck n HIS 359 Ca 0.07 -0.81 0.20 0.00 -0.26 0.00 0.00 57.72 56.92 3pck n HIS 359 Cb 0.10 -0.38 0.46 0.00 1.12 0.00 0.00 29.99 31.29 3pck n HIS 359 CO 0.00 0.00 0.00 -0.44 0.64 0.00 0.00 176.34 176.54 3pck h ASP 360 N 2.64 0.53 -0.69 0.41 5.19 -1.76 -0.71 116.42 122.03 3pck h ASP 360 Ca 0.00 0.09 0.00 0.00 -0.62 0.00 0.00 57.03 56.50 3pck h ASP 360 Cb 1.62 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.14 3pck h ASP 360 CO 0.31 0.13 0.00 0.00 -3.12 0.00 0.00 179.24 176.56 3pck n HIS 361 N -4.68 0.92 -3.90 4.55 1.44 -1.17 -2.18 115.22 110.20 3pck n HIS 361 Ca 0.25 -0.49 -0.30 0.00 -2.01 0.00 0.00 57.72 55.17 3pck n HIS 361 Cb 0.79 -0.00 -0.14 0.00 0.12 0.00 0.00 29.99 30.76 3pck n HIS 361 CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 3pck s ASP 362 N -1.01 4.21 0.20 4.39 2.15 -0.27 -1.78 116.67 124.56 3pck s ASP 362 Ca 0.46 -3.03 0.16 0.00 0.43 0.00 0.00 52.55 50.58 3pck s ASP 362 Cb 0.24 -1.52 0.80 0.00 -0.30 0.00 0.00 42.92 42.14 3pck s ASP 362 CO 0.32 -0.22 1.49 0.18 -0.17 0.00 0.00 175.17 176.76 3pck n LEU 363 N 3.07 0.39 0.24 -1.34 4.32 0.13 -0.92 117.00 122.89 3pck n LEU 363 Ca 0.07 0.66 0.14 0.00 -0.02 0.00 0.00 56.01 56.86 3pck n LEU 363 Cb 0.33 -0.68 0.34 0.00 -1.62 0.00 0.00 43.42 41.79 3pck n LEU 363 CO 0.31 -0.71 0.87 -0.07 -1.22 0.00 0.00 177.39 176.57 3pck h LEU 364 N 0.00 0.00 0.00 2.23 4.07 -1.92 -3.38 115.31 116.31 3pck h LEU 364 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 3pck h LEU 364 Cb 0.09 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.83 3pck h LEU 364 CO 0.00 0.00 -0.03 0.18 -1.08 0.00 0.00 178.44 177.51 3pck n LEU 365 N -3.07 0.00 0.00 1.67 4.77 -0.11 -4.60 117.00 115.65 3pck n LEU 365 Ca 0.03 -0.18 0.14 0.00 -0.03 0.00 0.00 56.01 55.98 3pck n LEU 365 Cb 0.46 0.00 0.83 0.00 -2.33 0.00 0.00 43.42 42.38 3pck n LEU 365 CO 0.32 0.00 1.02 -0.46 -1.33 0.00 0.00 177.39 176.94 3pck n ASN 366 N -0.39 0.00 -0.02 -1.43 0.23 -0.09 -5.04 115.26 108.51 3pck n ASN 366 Ca 0.00 -0.76 -0.03 0.00 -0.53 0.00 0.00 54.58 53.27 3pck n ASN 366 Cb 0.00 -0.05 -0.01 0.00 -2.08 0.00 0.00 39.78 37.64 3pck n ASN 366 CO 0.00 0.00 0.00 0.33 -0.93 0.00 0.00 177.26 176.66 3pck n PHE 367 N -1.05 0.00 0.00 -2.53 7.35 -1.26 -5.01 117.46 114.95 3pck n PHE 367 Ca 0.20 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.89 3pck n PHE 367 Cb 0.12 -0.15 0.00 0.00 0.35 0.00 0.00 39.48 39.80 3pck n PHE 367 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3pck n GLY 371 N 2.26 0.00 3.80 7.13 0.00 -1.26 -4.77 105.19 112.35 3pck n GLY 371 Ca -0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.60 3pck n GLY 371 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3pck s LEU 372 N 0.00 4.44 0.63 0.99 1.02 -1.26 -4.77 118.68 119.73 3pck s LEU 372 Ca 0.00 1.01 -0.18 0.00 0.02 0.00 0.00 54.13 54.98 3pck s LEU 372 Cb 0.00 -2.70 -0.02 0.00 0.02 0.00 0.00 46.19 43.48 3pck s LEU 372 CO 0.00 0.23 1.22 -2.65 0.02 0.00 0.00 176.35 175.17 3pck n PRO 373 N 2.27 1.12 -3.21 1.29 -0.02 -1.26 -4.82 135.00 130.37 3pck n PRO 373 Ca -0.11 0.43 -0.39 0.00 -2.02 0.00 0.00 63.50 61.42 3pck n PRO 373 Cb 0.52 -2.45 -0.06 0.00 -0.02 0.00 0.00 33.50 31.49 3pck n PRO 373 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3pck s ILE 374 N -1.40 4.86 0.00 4.25 1.01 -1.26 -5.01 121.20 123.65 3pck s ILE 374 Ca 0.80 1.26 0.00 0.00 0.00 0.00 0.00 60.65 62.71 3pck s ILE 374 Cb -0.39 -3.93 0.00 0.00 0.01 0.00 0.00 42.46 38.14 3pck s ILE 374 CO 0.43 0.45 0.00 0.61 0.00 0.00 0.00 174.94 176.42 3pck n GLY 375 N 2.28 3.18 3.63 6.18 0.00 -1.26 -4.55 105.19 114.66 3pck n GLY 375 Ca -0.07 -1.76 -0.43 0.00 0.00 0.00 0.00 46.02 43.76 3pck n GLY 375 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3pck s GLU 376 N -2.01 3.82 0.07 1.61 2.02 -1.26 -4.89 118.70 118.05 3pck s GLU 376 Ca 0.00 1.83 -0.30 0.00 0.02 0.00 0.00 54.97 56.52 3pck s GLU 376 Cb 0.00 -4.06 -0.05 0.00 0.10 0.00 0.00 34.13 30.12 3pck s GLU 376 CO 0.00 -1.27 1.07 1.03 0.02 0.00 0.00 175.26 176.11 3pck s ARG 377 N 4.70 4.54 0.10 1.61 0.52 -1.26 -0.30 118.95 128.86 3pck s ARG 377 Ca 0.75 1.60 -0.18 0.00 -0.52 0.00 0.00 55.73 57.38 3pck s ARG 377 Cb -0.28 -3.38 0.04 0.00 0.52 0.00 0.00 34.95 31.85 3pck s ARG 377 CO 0.30 -0.07 0.44 0.96 0.02 0.00 0.00 175.30 176.96 3pck s ILE 378 N 0.68 0.05 -0.12 1.52 -4.36 0.06 -2.03 121.20 117.01 3pck s ILE 378 Ca 0.53 -0.44 -0.04 0.00 -0.26 0.00 0.00 60.65 60.44 3pck s ILE 378 Cb -0.26 -1.08 -0.03 0.00 1.25 0.00 0.00 42.46 42.34 3pck s ILE 378 CO 0.30 -0.25 0.02 -0.63 0.24 0.00 0.00 174.94 174.62 3pck s ILE 379 N -3.32 4.42 -0.30 8.37 1.01 0.63 -1.06 121.20 130.95 3pck s ILE 379 Ca -0.00 -0.19 0.01 0.00 0.00 0.00 0.00 60.65 60.47 3pck s ILE 379 Cb 0.01 -2.91 0.07 0.00 0.01 0.00 0.00 42.46 39.64 3pck s ILE 379 CO -0.09 0.56 -0.01 -0.69 0.00 0.00 0.00 174.94 174.71 3pck s VAL 380 N -0.42 2.55 0.16 2.92 1.01 -0.64 -0.16 120.40 125.82 3pck s VAL 380 Ca 0.08 -1.75 0.02 0.00 0.00 0.00 0.00 61.98 60.33 3pck s VAL 380 Cb -0.12 -2.60 -0.04 0.00 0.00 0.00 0.00 36.38 33.62 3pck s VAL 380 CO 0.02 -0.24 -0.01 0.00 0.00 0.00 0.00 175.10 174.87 3pck s ALA 381 N 1.11 1.26 0.00 5.51 0.00 -0.32 -0.57 121.76 128.75 3pck s ALA 381 Ca -0.02 -1.53 0.00 0.00 0.00 0.00 0.00 51.96 50.41 3pck s ALA 381 Cb -0.20 0.47 0.00 0.00 0.00 0.00 0.00 23.12 23.39 3pck s ALA 381 CO -0.04 -0.30 0.00 0.41 0.00 0.00 0.00 175.76 175.82 3pck n GLY 382 N -0.19 -1.31 3.29 0.00 0.00 -1.01 -0.79 105.19 105.18 3pck n GLY 382 Ca -0.08 -0.97 -0.21 0.00 0.00 0.00 0.00 46.02 44.77 3pck n GLY 382 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3pck s ARG 383 N -0.78 1.16 -0.25 1.61 3.52 -1.25 -1.23 118.95 121.73 3pck s ARG 383 Ca 0.00 -1.30 -0.05 0.00 -0.13 0.00 0.00 55.73 54.25 3pck s ARG 383 Cb 0.00 -1.20 -0.00 0.00 -1.56 0.00 0.00 34.95 32.19 3pck s ARG 383 CO 0.00 0.25 0.00 0.08 -0.81 0.00 0.00 175.30 174.82 3pck s VAL 384 N -1.90 3.57 0.32 7.11 1.01 0.13 0.08 120.40 130.71 3pck s VAL 384 Ca 0.12 -0.60 0.05 0.00 0.00 0.00 0.00 61.98 61.55 3pck s VAL 384 Cb -0.06 -2.72 -0.06 0.00 0.00 0.00 0.00 36.38 33.53 3pck s VAL 384 CO 0.05 0.28 0.01 0.68 0.00 0.00 0.00 175.10 176.12 3pck s VAL 385 N 1.48 1.47 0.46 2.92 -7.23 -0.04 -0.89 120.40 118.58 3pck s VAL 385 Ca 0.04 -2.04 0.07 0.00 -1.81 0.00 0.00 61.98 58.24 3pck s VAL 385 Cb -0.16 -2.70 0.07 0.00 0.56 0.00 0.00 36.38 34.15 3pck s VAL 385 CO -0.01 -0.11 0.61 -0.90 -0.31 0.00 0.00 175.10 174.39 3pck n ASP 386 N -0.69 1.76 0.25 4.85 5.75 0.24 0.12 116.55 128.82 3pck n ASP 386 Ca -0.04 -2.26 0.11 0.00 -0.01 0.00 0.00 54.79 52.59 3pck n ASP 386 Cb 0.66 -0.31 0.65 0.00 -1.03 0.00 0.00 41.12 41.08 3pck n ASP 386 CO 0.00 0.00 0.00 1.56 -0.11 0.00 0.00 177.20 178.65 3pck h GLN 387 N 0.00 0.00 0.00 0.11 4.20 -1.30 -1.37 115.11 116.75 3pck h GLN 387 Ca -0.22 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.49 3pck h GLN 387 Cb 1.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.78 3pck h GLN 387 CO 0.32 0.16 0.00 0.66 -0.67 0.00 0.00 178.83 179.30 3pck n TYR 388 N -3.77 0.08 -0.33 2.96 4.01 -1.26 -4.89 117.16 113.95 3pck n TYR 388 Ca -0.02 0.02 0.00 0.00 -0.16 0.00 0.00 57.90 57.75 3pck n TYR 388 Cb 0.26 -0.54 0.00 0.00 -0.31 0.00 0.00 39.34 38.75 3pck n TYR 388 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3pck n GLY 389 N 1.17 0.82 3.78 2.72 0.00 -0.52 -5.08 105.19 108.08 3pck n GLY 389 Ca 0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 3pck n GLY 389 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3pck s LYS 390 N -0.67 4.47 0.66 1.61 2.20 -1.26 -4.76 119.74 121.99 3pck s LYS 390 Ca 0.00 1.03 -0.15 0.00 -0.36 0.00 0.00 55.97 56.49 3pck s LYS 390 Cb 0.00 -3.28 0.00 0.00 -1.51 0.00 0.00 37.83 33.04 3pck s LYS 390 CO 0.00 0.51 1.13 -2.14 -0.36 0.00 0.00 175.35 174.49 3pck s PRO 391 N -0.86 2.71 -0.46 4.03 0.02 -1.26 -0.59 135.00 138.59 3pck s PRO 391 Ca 0.35 1.48 0.02 0.00 0.02 0.00 0.00 61.00 62.86 3pck s PRO 391 Cb -0.22 -1.93 0.12 0.00 0.02 0.00 0.00 34.50 32.49 3pck s PRO 391 CO 0.24 -1.34 0.21 0.08 -0.33 0.00 0.00 177.00 175.86 3pck s VAL 392 N -2.23 2.78 0.48 3.83 1.01 -0.06 -4.80 120.40 121.41 3pck s VAL 392 Ca 0.69 -2.71 -0.13 0.00 0.00 0.00 0.00 61.98 59.82 3pck s VAL 392 Cb -0.22 -2.94 -0.07 0.00 0.00 0.00 0.00 36.38 33.15 3pck s VAL 392 CO 0.41 -0.72 0.90 -2.16 0.00 0.00 0.00 175.10 173.52 3pck s PRO 393 N 0.40 3.84 -1.45 2.72 0.04 -1.26 -4.24 135.00 135.05 3pck s PRO 393 Ca 0.13 0.72 -0.04 0.00 0.04 0.00 0.00 61.00 61.85 3pck s PRO 393 Cb -0.22 -2.24 0.03 0.00 0.04 0.00 0.00 34.50 32.11 3pck s PRO 393 CO -0.04 -0.21 0.58 0.09 0.04 0.00 0.00 177.00 177.46 3pck n ASN 394 N -1.60 -1.37 -4.67 6.66 4.13 -0.59 -4.94 115.26 112.88 3pck n ASN 394 Ca 0.05 -0.95 -0.28 0.00 1.68 0.00 0.00 54.58 55.08 3pck n ASN 394 Cb 0.54 -3.27 -0.08 0.00 -1.54 0.00 0.00 39.78 35.43 3pck n ASN 394 CO 0.00 0.00 0.00 0.28 0.28 0.00 0.00 177.26 177.82 3pck s THR 395 N -3.74 3.78 -0.15 3.41 -1.32 -1.26 -4.57 115.64 111.78 3pck s THR 395 Ca 0.18 -1.31 -0.20 0.00 -1.21 0.00 0.00 61.69 59.16 3pck s THR 395 Cb -0.10 -2.87 -0.03 0.00 -1.51 0.00 0.00 72.50 67.99 3pck s THR 395 CO 0.88 -0.04 0.56 -0.22 -2.21 0.00 0.00 174.62 173.58 3pck s LEU 396 N -2.75 4.21 -0.14 9.08 2.96 -1.26 0.05 118.68 130.84 3pck s LEU 396 Ca 0.27 0.83 0.01 0.00 -0.22 0.00 0.00 54.13 55.01 3pck s LEU 396 Cb -0.10 -2.80 0.02 0.00 0.50 0.00 0.00 46.19 43.81 3pck s LEU 396 CO 0.18 -0.13 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.25 3pck s VAL 397 N 1.24 1.53 0.11 1.68 1.01 -0.35 -1.53 120.40 124.09 3pck s VAL 397 Ca 0.28 -0.62 0.10 0.00 0.00 0.00 0.00 61.98 61.74 3pck s VAL 397 Cb -0.16 -1.43 -0.04 0.00 0.00 0.00 0.00 36.38 34.75 3pck s VAL 397 CO 0.11 0.45 -0.25 -1.61 0.00 0.00 0.00 175.10 173.80 3pck s GLU 398 N 1.37 1.55 0.05 2.72 2.02 0.01 -0.93 118.70 125.48 3pck s GLU 398 Ca 0.02 -1.27 -0.05 0.00 0.02 0.00 0.00 54.97 53.69 3pck s GLU 398 Cb -0.13 -1.96 -0.02 0.00 0.10 0.00 0.00 34.13 32.12 3pck s GLU 398 CO -0.08 0.47 0.07 0.00 0.02 0.00 0.00 175.26 175.74 3pck s MET 399 N -1.94 0.62 0.05 1.61 0.23 -0.39 -0.81 119.30 118.68 3pck s MET 399 Ca 0.14 -0.90 -0.16 0.00 -1.03 0.00 0.00 55.69 53.75 3pck s MET 399 Cb -0.10 0.24 0.03 0.00 -1.53 0.00 0.00 34.83 33.47 3pck s MET 399 CO 0.06 -0.15 0.36 1.67 -2.03 0.00 0.00 175.02 174.93 3pck s TRP 400 N -3.09 -0.19 0.17 3.16 -2.14 -0.81 -1.83 118.94 114.21 3pck s TRP 400 Ca -0.01 0.08 -0.24 0.00 2.66 0.00 0.00 56.10 58.59 3pck s TRP 400 Cb 0.02 0.17 0.07 0.00 -3.10 0.00 0.00 33.47 30.63 3pck s TRP 400 CO -0.07 -0.56 1.01 1.14 -2.66 0.00 0.00 176.95 175.82 3pck s GLN 401 N -2.65 1.25 0.55 3.25 -2.07 -0.78 -1.09 119.66 118.11 3pck s GLN 401 Ca -0.04 -0.76 0.03 0.00 -1.82 0.00 0.00 55.36 52.78 3pck s GLN 401 Cb -0.00 0.38 0.05 0.00 -1.09 0.00 0.00 33.01 32.35 3pck s GLN 401 CO -0.04 -0.58 0.77 0.00 -1.32 0.00 0.00 175.29 174.12 3pck s ALA 402 N -2.66 4.11 0.95 2.60 0.00 -1.26 -4.63 121.76 120.86 3pck s ALA 402 Ca 0.17 -1.57 -0.03 0.00 0.00 0.00 0.00 51.96 50.53 3pck s ALA 402 Cb -0.02 -1.89 0.04 0.00 0.00 0.00 0.00 23.12 21.26 3pck s ALA 402 CO 0.04 -0.78 0.26 0.27 0.00 0.00 0.00 175.76 175.55 3pck n ASN 403 N -2.30 0.04 0.10 0.00 0.23 -0.24 -4.47 115.26 108.62 3pck n ASN 403 Ca 0.10 -1.11 0.19 0.00 -0.53 0.00 0.00 54.58 53.23 3pck n ASN 403 Cb 0.60 -0.20 0.75 0.00 -2.08 0.00 0.00 39.78 38.85 3pck n ASN 403 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3pck h ALA 404 N -1.82 2.17 -0.02 -2.53 0.00 -1.80 0.18 119.26 115.43 3pck h ALA 404 Ca -0.09 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3pck h ALA 404 Cb 0.24 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3pck h ALA 404 CO 0.06 -0.52 -0.09 0.41 0.00 0.00 0.00 179.25 179.11 3pck n GLY 405 N -1.52 0.60 1.39 0.00 0.00 -1.26 -3.31 105.19 101.08 3pck n GLY 405 Ca 0.06 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.46 3pck n GLY 405 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3pck n GLY 406 N 1.33 0.59 3.73 -0.02 0.00 -0.01 -4.81 105.19 106.00 3pck n GLY 406 Ca 0.14 -0.58 -0.35 0.00 0.00 0.00 0.00 46.02 45.22 3pck n GLY 406 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3pck s ARG 407 N -1.13 4.21 0.11 1.61 6.06 -1.26 -4.72 118.95 123.83 3pck s ARG 407 Ca 0.00 -0.13 -0.08 0.00 -2.50 0.00 0.00 55.73 53.02 3pck s ARG 407 Cb 0.00 -3.42 -0.06 0.00 0.06 0.00 0.00 34.95 31.53 3pck s ARG 407 CO 0.00 0.28 0.41 0.71 -2.50 0.00 0.00 175.30 174.20 3pck s TYR 408 N 0.40 3.53 -1.23 5.12 1.51 -1.26 -1.07 117.35 124.35 3pck s TYR 408 Ca 0.10 0.73 -0.09 0.00 -1.01 0.00 0.00 57.07 56.80 3pck s TYR 408 Cb -0.12 -2.12 0.20 0.00 -0.11 0.00 0.00 41.96 39.81 3pck s TYR 408 CO -0.00 0.47 1.76 -2.13 -1.11 0.00 0.00 175.55 174.54 3pck n ARG 409 N 0.54 3.78 -3.85 -0.62 0.63 -1.26 -4.78 116.66 111.10 3pck n ARG 409 Ca -0.05 -3.76 -0.12 0.00 -0.92 0.00 0.00 57.85 52.99 3pck n ARG 409 Cb 0.52 -2.84 -0.13 0.00 0.45 0.00 0.00 32.46 30.46 3pck n ARG 409 CO 0.00 0.00 0.00 -1.58 -2.51 0.00 0.00 177.63 173.54 3pck s HIS 410 N -0.21 -0.08 0.21 -0.14 2.46 -1.26 -5.07 115.29 111.20 3pck s HIS 410 Ca 0.38 0.19 -0.13 0.00 0.47 0.00 0.00 55.06 55.96 3pck s HIS 410 Cb 0.08 0.02 0.24 0.00 -0.13 0.00 0.00 32.58 32.79 3pck s HIS 410 CO 0.02 -0.04 1.64 0.87 -2.47 0.00 0.00 174.74 174.76 3pck h LYS 411 N 6.00 0.02 0.00 2.88 1.57 -2.07 -1.75 116.57 123.22 3pck h LYS 411 Ca -0.25 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.53 3pck h LYS 411 Cb 1.20 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.51 3pck h LYS 411 CO 0.46 0.01 0.00 0.09 -0.57 0.00 0.00 179.45 179.44 3pck n ASN 412 N -5.39 0.00 -4.46 0.86 5.03 -1.26 -4.67 115.26 105.37 3pck n ASN 412 Ca 0.07 -0.02 -0.43 0.00 0.87 0.00 0.00 54.58 55.07 3pck n ASN 412 Cb 0.32 -0.25 -0.07 0.00 -1.02 0.00 0.00 39.78 38.77 3pck n ASN 412 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 3pck s ASP 413 N -2.49 6.23 -0.14 6.41 2.15 -0.66 -4.91 116.67 123.26 3pck s ASP 413 Ca 0.16 -0.80 0.16 0.00 0.43 0.00 0.00 52.55 52.51 3pck s ASP 413 Cb 0.11 -2.28 0.67 0.00 -0.30 0.00 0.00 42.92 41.12 3pck s ASP 413 CO 0.24 -0.80 1.59 0.54 -0.17 0.00 0.00 175.17 176.56 3pck n ARG 414 N 6.03 3.76 -2.12 4.34 5.12 -1.26 -4.91 116.66 127.63 3pck n ARG 414 Ca -0.06 -2.86 -0.40 0.00 -1.93 0.00 0.00 57.85 52.60 3pck n ARG 414 Cb 0.46 -1.90 -0.01 0.00 -1.16 0.00 0.00 32.46 29.84 3pck n ARG 414 CO 0.00 0.00 0.00 -0.47 -1.93 0.00 0.00 177.63 175.23 3pck s TYR 415 N -2.12 2.95 -0.64 -1.55 5.04 -1.26 -4.92 117.35 114.85 3pck s TYR 415 Ca 0.48 1.44 0.20 0.00 -2.44 0.00 0.00 57.07 56.75 3pck s TYR 415 Cb 0.33 -3.63 0.86 0.00 0.35 0.00 0.00 41.96 39.87 3pck s TYR 415 CO 0.19 -1.87 1.63 1.47 -1.34 0.00 0.00 175.55 175.63 3pck n LEU 416 N 0.40 0.45 -4.76 6.97 -0.00 -1.26 -4.76 117.00 114.04 3pck n LEU 416 Ca 0.02 0.61 -0.41 0.00 -0.00 0.00 0.00 56.01 56.24 3pck n LEU 416 Cb 0.43 -0.55 -0.03 0.00 -0.00 0.00 0.00 43.42 43.27 3pck n LEU 416 CO 0.56 -0.47 0.92 0.00 -0.00 0.00 0.00 177.39 178.40 3pck s ALA 417 N -3.22 3.47 0.60 1.47 0.00 -1.26 -4.96 121.76 117.86 3pck s ALA 417 Ca 0.05 1.10 -0.17 0.00 0.00 0.00 0.00 51.96 52.94 3pck s ALA 417 Cb 0.09 -3.43 -0.03 0.00 0.00 0.00 0.00 23.12 19.75 3pck s ALA 417 CO 0.35 -0.46 1.11 -1.25 0.00 0.00 0.00 175.76 175.52 3pck s PRO 418 N -1.19 3.09 0.62 0.00 0.04 -1.26 -4.72 135.00 131.58 3pck s PRO 418 Ca 0.50 1.48 -0.16 0.00 0.04 0.00 0.00 61.00 62.86 3pck s PRO 418 Cb -0.36 -1.98 -0.02 0.00 0.04 0.00 0.00 34.50 32.18 3pck s PRO 418 CO 0.45 -1.03 1.10 -0.51 0.04 0.00 0.00 177.00 177.05 3pck s LEU 419 N -4.34 3.47 -0.22 -3.56 1.43 -1.26 -4.76 118.68 109.43 3pck s LEU 419 Ca 0.69 1.98 -0.04 0.00 -1.03 0.00 0.00 54.13 55.73 3pck s LEU 419 Cb -0.22 -4.55 -0.01 0.00 0.03 0.00 0.00 46.19 41.44 3pck s LEU 419 CO 0.34 -1.45 -0.02 -0.62 0.23 0.00 0.00 176.35 174.83 3pck s ASP 420 N -2.51 4.46 0.57 2.29 -1.08 -1.26 -5.00 116.67 114.14 3pck s ASP 420 Ca 0.67 -0.35 0.27 0.00 -0.52 0.00 0.00 52.55 52.61 3pck s ASP 420 Cb -0.20 -1.77 1.53 0.00 -1.46 0.00 0.00 42.92 41.02 3pck s ASP 420 CO 0.38 -0.02 2.06 1.55 0.52 0.00 0.00 175.17 179.66 3pck h PRO 421 N 8.09 0.00 -0.67 4.34 0.13 -1.97 -0.33 132.00 141.59 3pck h PRO 421 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 3pck h PRO 421 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 3pck h PRO 421 CO 0.60 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.46 3pck n ASN 422 N -4.02 4.27 -3.94 1.44 4.13 -1.26 -4.93 115.26 110.95 3pck n ASN 422 Ca 0.04 -2.29 -0.20 0.00 1.68 0.00 0.00 54.58 53.81 3pck n ASN 422 Cb 0.41 -0.53 -0.16 0.00 -1.54 0.00 0.00 39.78 37.96 3pck n ASN 422 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 3pck s PHE 423 N -1.60 0.85 -0.11 3.10 5.36 -0.14 -4.25 117.98 121.20 3pck s PHE 423 Ca 0.48 -0.24 -0.11 0.00 -0.96 0.00 0.00 56.93 56.10 3pck s PHE 423 Cb 0.29 -0.69 -0.04 0.00 -0.34 0.00 0.00 43.02 42.25 3pck s PHE 423 CO 0.26 -0.16 -0.21 0.41 -1.46 0.00 0.00 175.22 174.05 3pck n GLY 424 N 3.76 -0.49 0.00 13.12 0.00 -1.26 -4.66 105.19 115.66 3pck n GLY 424 Ca -0.23 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.59 3pck n GLY 424 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3pck n GLY 425 N 1.58 1.48 3.08 -0.02 0.00 -1.26 -4.51 105.19 105.53 3pck n GLY 425 Ca -0.09 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.73 3pck n GLY 425 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3pck s VAL 426 N -2.00 0.93 0.10 1.61 1.01 -1.26 -1.87 120.40 118.92 3pck s VAL 426 Ca 0.00 -0.57 -0.11 0.00 0.00 0.00 0.00 61.98 61.30 3pck s VAL 426 Cb 0.00 -0.79 0.01 0.00 0.00 0.00 0.00 36.38 35.60 3pck s VAL 426 CO 0.00 0.21 0.26 -0.83 0.00 0.00 0.00 175.10 174.74 3pck s GLY 427 N -0.41 -0.03 0.01 4.51 0.00 -0.76 -4.74 107.32 105.91 3pck s GLY 427 Ca 0.04 -0.43 -0.15 0.00 0.00 0.00 0.00 44.72 44.17 3pck s GLY 427 CO -0.00 -0.64 0.33 1.09 0.00 0.00 0.00 173.10 173.87 3pck s ARG 428 N -3.83 0.75 -0.26 2.90 1.70 -0.93 -1.26 118.95 118.02 3pck s ARG 428 Ca 0.04 -0.30 -0.25 0.00 -0.47 0.00 0.00 55.73 54.75 3pck s ARG 428 Cb 0.04 0.33 0.08 0.00 -0.57 0.00 0.00 34.95 34.83 3pck s ARG 428 CO -0.11 -0.23 0.76 0.00 -1.08 0.00 0.00 175.30 174.64 3pck s LEU 430 N 0.25 4.25 0.73 0.00 2.96 -1.26 -1.22 118.68 124.39 3pck s LEU 430 Ca -0.00 0.29 -0.14 0.00 -0.22 0.00 0.00 54.13 54.05 3pck s LEU 430 Cb -0.05 -2.09 0.04 0.00 0.50 0.00 0.00 46.19 44.59 3pck s LEU 430 CO 0.01 0.23 1.16 0.42 -1.32 0.00 0.00 176.35 176.85 3pck s THR 431 N 0.05 2.64 0.27 3.68 -4.23 0.11 -4.83 115.64 113.33 3pck s THR 431 Ca 0.10 0.29 -0.03 0.00 -1.18 0.00 0.00 61.69 60.87 3pck s THR 431 Cb -0.11 -2.79 0.06 0.00 1.34 0.00 0.00 72.50 71.00 3pck s THR 431 CO -0.01 -0.19 0.37 -0.90 -0.54 0.00 0.00 174.62 173.36 3pck n ASP 432 N -2.80 0.21 0.19 3.99 5.68 -0.56 -1.54 116.55 121.72 3pck n ASP 432 Ca 0.12 -1.25 0.17 0.00 -0.50 0.00 0.00 54.79 53.33 3pck n ASP 432 Cb 0.51 -0.27 0.81 0.00 -1.14 0.00 0.00 41.12 41.03 3pck n ASP 432 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 3pck h SER 433 N -0.38 0.00 -0.26 -1.12 0.02 -1.95 -1.56 113.55 108.31 3pck h SER 433 Ca -0.12 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.83 3pck h SER 433 Cb 0.38 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.92 3pck h SER 433 CO 0.10 0.00 0.00 0.47 -1.14 0.00 0.00 176.83 176.26 3pck n ASP 434 N -3.91 2.95 0.00 3.07 9.92 -1.26 -4.58 116.55 122.74 3pck n ASP 434 Ca 0.02 -1.92 0.00 0.00 -0.53 0.00 0.00 54.79 52.36 3pck n ASP 434 Cb 0.32 -0.16 0.00 0.00 -0.64 0.00 0.00 41.12 40.64 3pck n ASP 434 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3pck n GLY 435 N 1.39 0.48 3.83 0.44 0.00 -0.59 -4.72 105.19 106.03 3pck n GLY 435 Ca 0.18 -0.69 -0.37 0.00 0.00 0.00 0.00 46.02 45.14 3pck n GLY 435 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3pck s TYR 436 N -2.00 3.69 0.19 1.61 2.02 -1.26 0.17 117.35 121.77 3pck s TYR 436 Ca 0.00 1.16 0.01 0.00 -0.37 0.00 0.00 57.07 57.86 3pck s TYR 436 Cb 0.00 -2.43 -0.04 0.00 -0.40 0.00 0.00 41.96 39.09 3pck s TYR 436 CO 0.00 0.49 0.06 1.52 -1.57 0.00 0.00 175.55 176.05 3pck s TYR 437 N -1.32 1.21 -0.13 2.71 -0.85 -0.37 -1.50 117.35 117.10 3pck s TYR 437 Ca 0.34 -1.18 -0.30 0.00 -0.52 0.00 0.00 57.07 55.42 3pck s TYR 437 Cb -0.17 -0.68 0.10 0.00 0.38 0.00 0.00 41.96 41.60 3pck s TYR 437 CO 0.19 -0.39 0.86 -1.54 -1.52 0.00 0.00 175.55 173.15 3pck s SER 438 N -3.18 -0.51 0.08 -0.18 1.04 -1.26 -2.41 113.70 107.28 3pck s SER 438 Ca 0.30 0.61 0.01 0.00 0.48 0.00 0.00 55.95 57.36 3pck s SER 438 Cb 0.07 0.49 -0.04 0.00 0.10 0.00 0.00 66.02 66.64 3pck s SER 438 CO 0.07 -0.43 -0.06 -0.36 0.98 0.00 0.00 173.24 173.44 3pck s PHE 439 N -0.98 0.79 -0.09 5.02 0.08 0.27 -4.88 117.98 118.19 3pck s PHE 439 Ca -0.05 -0.89 0.01 0.00 0.12 0.00 0.00 56.93 56.12 3pck s PHE 439 Cb -0.01 -0.48 0.02 0.00 -0.57 0.00 0.00 43.02 41.98 3pck s PHE 439 CO 0.04 -0.19 -0.11 0.50 -0.10 0.00 0.00 175.22 175.36 3pck s ARG 440 N -3.58 1.74 0.00 0.44 3.52 -0.73 -1.62 118.95 118.71 3pck s ARG 440 Ca 0.08 -0.39 0.00 0.00 -0.13 0.00 0.00 55.73 55.29 3pck s ARG 440 Cb 0.04 -1.54 0.00 0.00 -1.56 0.00 0.00 34.95 31.89 3pck s ARG 440 CO -0.05 -0.07 0.00 -2.37 -0.81 0.00 0.00 175.30 172.00 3pck n THR 441 N 4.19 0.00 -4.58 4.11 5.66 -0.23 -0.69 114.28 122.74 3pck n THR 441 Ca -0.19 0.00 -0.30 0.00 -3.05 0.00 0.00 64.05 60.51 3pck n THR 441 Cb 0.51 0.00 -0.13 0.00 -1.55 0.00 0.00 70.33 69.16 3pck n THR 441 CO 0.00 0.00 0.00 0.27 -3.05 0.00 0.00 175.07 172.29 3pck s ILE 442 N -2.93 2.45 0.05 1.09 -4.36 -1.26 -0.76 121.20 115.48 3pck s ILE 442 Ca 0.00 -1.48 -0.31 0.00 -0.26 0.00 0.00 60.65 58.61 3pck s ILE 442 Cb 0.00 -2.05 -0.07 0.00 1.25 0.00 0.00 42.46 41.59 3pck s ILE 442 CO 0.00 0.23 1.50 -0.75 0.24 0.00 0.00 174.94 176.16 3pck s LYS 443 N -1.70 4.25 0.79 0.37 2.20 0.59 -4.90 119.74 121.35 3pck s LYS 443 Ca 0.14 2.13 -0.11 0.00 -0.36 0.00 0.00 55.97 57.77 3pck s LYS 443 Cb -0.10 -3.53 0.06 0.00 -1.51 0.00 0.00 37.83 32.76 3pck s LYS 443 CO 0.05 -0.62 1.09 -1.25 -0.36 0.00 0.00 175.35 174.26 3pck s PRO 444 N 2.28 2.16 0.18 4.03 0.04 -1.26 -4.26 135.00 138.16 3pck s PRO 444 Ca 0.68 0.95 0.04 0.00 0.04 0.00 0.00 61.00 62.71 3pck s PRO 444 Cb -0.36 -1.90 -0.03 0.00 0.04 0.00 0.00 34.50 32.25 3pck s PRO 444 CO 0.29 -1.65 0.25 0.20 0.04 0.00 0.00 177.00 176.13 3pck s GLY 445 N -3.58 1.59 0.76 0.56 0.00 -0.83 -4.73 107.32 101.08 3pck s GLY 445 Ca 0.61 -1.16 -0.14 0.00 0.00 0.00 0.00 44.72 44.03 3pck s GLY 445 CO 0.56 -1.17 1.19 2.56 0.00 0.00 0.00 173.10 176.24 3pck s PRO 446 N -3.40 1.98 -0.04 2.90 0.04 -1.26 -4.05 135.00 131.17 3pck s PRO 446 Ca 0.33 1.68 0.01 0.00 0.04 0.00 0.00 61.00 63.06 3pck s PRO 446 Cb -0.10 -1.82 0.02 0.00 0.04 0.00 0.00 34.50 32.64 3pck s PRO 446 CO 0.27 -1.94 -0.04 -0.47 0.04 0.00 0.00 177.00 174.86 3pck s TYR 447 N -2.16 0.72 0.32 0.56 6.14 -1.03 -4.29 117.35 117.61 3pck s TYR 447 Ca 0.72 -0.19 -0.26 0.00 0.64 0.00 0.00 57.07 57.98 3pck s TYR 447 Cb -0.27 -0.63 -0.10 0.00 0.42 0.00 0.00 41.96 41.38 3pck s TYR 447 CO 0.48 -0.18 0.96 -1.25 0.64 0.00 0.00 175.55 176.21 3pck s PRO 448 N 0.85 4.56 0.07 4.97 0.04 -1.26 0.43 135.00 144.66 3pck s PRO 448 Ca -0.11 1.39 -0.09 0.00 0.04 0.00 0.00 61.00 62.22 3pck s PRO 448 Cb -0.14 -2.83 -0.00 0.00 0.04 0.00 0.00 34.50 31.57 3pck s PRO 448 CO 0.00 0.25 0.19 1.67 0.04 0.00 0.00 177.00 179.15 3pck s TRP 449 N -1.57 0.12 -1.26 0.56 1.48 -1.08 -4.91 118.94 112.28 3pck s TRP 449 Ca 0.50 -0.47 -0.16 0.00 -1.06 0.00 0.00 56.10 54.91 3pck s TRP 449 Cb -0.20 -0.05 0.11 0.00 -1.16 0.00 0.00 33.47 32.17 3pck s TRP 449 CO 0.26 -0.50 1.61 1.03 -4.06 0.00 0.00 176.95 175.29 3pck s ARG 450 N -3.36 4.03 0.00 3.25 0.52 -1.26 -4.38 118.95 117.75 3pck s ARG 450 Ca 0.01 -2.25 0.00 0.00 -0.52 0.00 0.00 55.73 52.97 3pck s ARG 450 Cb 0.03 -5.34 0.00 0.00 0.52 0.00 0.00 34.95 30.16 3pck s ARG 450 CO -0.08 -2.05 0.00 -1.71 0.02 0.00 0.00 175.30 171.48 3pck n ASN 451 N 7.23 0.00 -4.42 0.23 5.15 -1.26 -5.04 115.26 117.16 3pck n ASN 451 Ca 0.44 0.00 -0.27 0.00 -0.60 0.00 0.00 54.58 54.14 3pck n ASN 451 Cb 0.45 0.00 0.15 0.00 -0.53 0.00 0.00 39.78 39.84 3pck n ASN 451 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 3pck s GLY 452 N -0.29 1.76 0.56 8.20 0.00 -1.26 -4.96 107.32 111.32 3pck s GLY 452 Ca 0.00 -1.31 0.37 0.00 0.00 0.00 0.00 44.72 43.77 3pck s GLY 452 CO 0.00 -0.66 2.10 -2.55 0.00 0.00 0.00 173.10 172.00 3pck h PRO 453 N -1.17 0.00 -1.00 2.90 0.11 -1.97 -3.31 132.00 127.57 3pck h PRO 453 Ca -0.42 0.00 -0.36 0.00 0.11 0.00 0.00 66.00 65.33 3pck h PRO 453 Cb 1.26 0.00 -0.31 0.00 0.11 0.00 0.00 31.00 32.06 3pck h PRO 453 CO 0.42 0.00 -0.91 -1.71 -0.21 0.00 0.00 178.00 175.59 3pck n ASN 454 N -2.95 -0.07 -4.78 -2.05 5.15 -1.26 -5.10 115.26 104.20 3pck n ASN 454 Ca -0.01 -2.98 -0.37 0.00 -0.60 0.00 0.00 54.58 50.62 3pck n ASN 454 Cb 0.18 0.18 -0.06 0.00 -0.53 0.00 0.00 39.78 39.55 3pck n ASN 454 CO 0.00 0.00 0.00 -1.81 1.40 0.00 0.00 177.26 176.85 3pck s ASP 455 N -2.20 6.66 -0.09 1.20 1.01 -1.25 -5.08 116.67 116.92 3pck s ASP 455 Ca 0.30 0.78 -0.00 0.00 0.71 0.00 0.00 52.55 54.34 3pck s ASP 455 Cb 0.38 -2.24 0.02 0.00 1.01 0.00 0.00 42.92 42.10 3pck s ASP 455 CO -0.04 0.17 -0.06 0.26 0.21 0.00 0.00 175.17 175.71 3pck s TRP 456 N -0.17 1.17 0.23 4.23 0.52 -1.26 -2.64 118.94 121.03 3pck s TRP 456 Ca 0.22 -0.50 -0.30 0.00 0.02 0.00 0.00 56.10 55.55 3pck s TRP 456 Cb -0.15 -1.03 -0.09 0.00 -1.15 0.00 0.00 33.47 31.05 3pck s TRP 456 CO 0.10 -0.39 1.17 1.03 0.02 0.00 0.00 176.95 178.88 3pck s ARG 457 N 1.54 4.53 0.77 4.98 1.81 0.17 -4.76 118.95 127.98 3pck s ARG 457 Ca 0.00 1.89 -0.12 0.00 -1.72 0.00 0.00 55.73 55.78 3pck s ARG 457 Cb -0.13 -3.20 0.06 0.00 -0.45 0.00 0.00 34.95 31.22 3pck s ARG 457 CO -0.05 0.01 1.12 -1.25 -0.68 0.00 0.00 175.30 174.45 3pck s PRO 458 N -0.84 2.16 0.18 3.54 0.04 -1.26 -2.45 135.00 136.36 3pck s PRO 458 Ca 0.49 1.35 -0.33 0.00 0.04 0.00 0.00 61.00 62.55 3pck s PRO 458 Cb -0.33 -1.87 -0.13 0.00 0.04 0.00 0.00 34.50 32.20 3pck s PRO 458 CO 0.40 -1.74 1.60 0.00 0.04 0.00 0.00 177.00 177.30 3pck n ALA 459 N -3.30 1.73 -3.27 8.56 0.00 -1.26 -4.71 120.51 118.26 3pck n ALA 459 Ca 0.10 0.43 -0.10 0.00 0.00 0.00 0.00 53.44 53.87 3pck n ALA 459 Cb 0.52 -2.39 -0.03 0.00 0.00 0.00 0.00 19.45 17.55 3pck n ALA 459 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 3pck s HIS 460 N 0.88 -0.25 -0.11 0.00 -3.43 -1.26 -4.02 115.29 107.09 3pck s HIS 460 Ca 0.77 -0.05 0.02 0.00 -0.80 0.00 0.00 55.06 54.99 3pck s HIS 460 Cb -0.63 0.41 0.01 0.00 -1.43 0.00 0.00 32.58 30.94 3pck s HIS 460 CO 0.38 -0.85 -0.15 0.42 -2.00 0.00 0.00 174.74 172.53 3pck s ILE 461 N -3.82 1.52 0.17 -5.38 1.01 -0.83 -4.66 121.20 109.21 3pck s ILE 461 Ca 0.05 -0.65 -0.30 0.00 0.00 0.00 0.00 60.65 59.75 3pck s ILE 461 Cb -0.00 -1.38 -0.07 0.00 0.01 0.00 0.00 42.46 41.01 3pck s ILE 461 CO -0.08 0.44 1.12 -1.00 0.00 0.00 0.00 174.94 175.43 3pck s HIS 462 N 0.98 3.56 0.07 3.97 3.76 -0.25 -1.35 115.29 126.03 3pck s HIS 462 Ca -0.07 1.56 0.07 0.00 -0.15 0.00 0.00 55.06 56.47 3pck s HIS 462 Cb -0.15 -3.30 -0.03 0.00 1.11 0.00 0.00 32.58 30.21 3pck s HIS 462 CO -0.02 -0.72 -0.18 -0.06 -0.85 0.00 0.00 174.74 172.91 3pck s PHE 463 N -0.13 1.56 -0.05 1.40 0.40 -0.32 -1.93 117.98 118.91 3pck s PHE 463 Ca 0.50 -0.41 -0.00 0.00 -0.60 0.00 0.00 56.93 56.42 3pck s PHE 463 Cb -0.30 -0.89 0.03 0.00 0.51 0.00 0.00 43.02 42.37 3pck s PHE 463 CO 0.35 0.12 -0.00 0.20 0.70 0.00 0.00 175.22 176.59 3pck s GLY 464 N -1.58 0.36 -0.07 4.36 0.00 0.01 -1.35 107.32 109.05 3pck s GLY 464 Ca 0.04 0.02 0.02 0.00 0.00 0.00 0.00 44.72 44.80 3pck s GLY 464 CO 0.03 0.86 -0.12 -0.42 0.00 0.00 0.00 173.10 173.44 3pck s ILE 465 N 1.48 1.17 -0.10 0.90 1.09 -0.08 -0.81 121.20 124.84 3pck s ILE 465 Ca -0.03 -0.48 -0.20 0.00 -1.10 0.00 0.00 60.65 58.84 3pck s ILE 465 Cb -0.13 -1.08 -0.17 0.00 -1.06 0.00 0.00 42.46 40.02 3pck s ILE 465 CO -0.03 0.37 0.62 0.77 -0.10 0.00 0.00 174.94 176.57 3pck h SER 466 N 7.11 -0.05 -3.08 3.58 4.64 -1.58 -1.04 113.55 123.14 3pck h SER 466 Ca -0.30 -0.56 0.00 0.00 -0.47 0.00 0.00 61.79 60.45 3pck h SER 466 Cb 1.18 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 3pck h SER 466 CO 0.47 0.69 0.00 0.61 -0.87 0.00 0.00 176.83 177.73 3pck n GLY 467 N 1.34 -1.78 0.00 -0.77 0.00 -1.26 -2.46 105.19 100.26 3pck n GLY 467 Ca -0.07 -1.32 0.13 0.00 0.00 0.00 0.00 46.02 44.76 3pck n GLY 467 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3pck n PRO 468 N -0.41 0.15 -3.88 1.61 -0.04 -1.26 -4.87 135.00 126.30 3pck n PRO 468 Ca 0.00 0.05 -0.07 0.00 -0.04 0.00 0.00 63.50 63.43 3pck n PRO 468 Cb 0.00 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 31.94 3pck n PRO 468 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3pck s SER 469 N -2.83 -0.21 0.46 3.54 1.04 -1.26 -3.58 113.70 110.85 3pck s SER 469 Ca 0.17 -0.69 0.30 0.00 0.48 0.00 0.00 55.95 56.21 3pck s SER 469 Cb 0.17 0.71 1.13 0.00 0.10 0.00 0.00 66.02 68.14 3pck s SER 469 CO 0.45 -1.33 1.87 0.16 0.98 0.00 0.00 173.24 175.37 3pck h ILE 470 N 2.04 0.00 0.00 -1.02 3.07 -1.44 -2.48 117.51 117.68 3pck h ILE 470 Ca -0.21 -0.51 -0.10 0.00 1.55 0.00 0.00 64.86 65.59 3pck h ILE 470 Cb 1.25 1.46 -0.01 0.00 -0.27 0.00 0.00 36.82 39.24 3pck h ILE 470 CO 0.26 0.00 -0.48 0.00 -1.05 0.00 0.00 178.15 176.88 3pck h ALA 471 N 2.08 1.11 0.00 0.16 0.00 -1.80 -3.14 119.26 117.68 3pck h ALA 471 Ca 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.47 3pck h ALA 471 Cb 0.55 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3pck h ALA 471 CO 0.00 0.60 -1.37 0.25 0.00 0.00 0.00 179.25 178.73 3pck n THR 472 N -3.83 0.34 -1.60 0.00 -2.24 -0.96 -4.94 114.28 101.05 3pck n THR 472 Ca -0.01 -0.50 -0.46 0.00 -2.27 0.00 0.00 64.05 60.81 3pck n THR 472 Cb 0.52 -0.15 -0.03 0.00 -2.10 0.00 0.00 70.33 68.57 3pck n THR 472 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 3pck n LYS 473 N -2.44 1.44 -3.85 -0.78 3.00 -1.03 -4.74 118.16 109.76 3pck n LYS 473 Ca -0.01 0.51 -0.12 0.00 -0.00 0.00 0.00 58.31 58.69 3pck n LYS 473 Cb 0.54 -1.98 -0.11 0.00 0.00 0.00 0.00 35.03 33.49 3pck n LYS 473 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.40 176.23 3pck s LEU 474 N 0.39 1.48 -0.03 3.14 2.96 -0.39 -5.02 118.68 121.20 3pck s LEU 474 Ca 0.65 -0.02 0.07 0.00 -0.22 0.00 0.00 54.13 54.60 3pck s LEU 474 Cb -0.74 0.65 -0.01 0.00 0.50 0.00 0.00 46.19 46.59 3pck s LEU 474 CO 0.56 -0.27 -0.23 -0.63 -1.32 0.00 0.00 176.35 174.46 3pck s ILE 475 N -0.89 1.86 0.05 6.68 1.01 -1.26 -0.91 121.20 127.74 3pck s ILE 475 Ca -0.10 -0.99 -0.01 0.00 0.00 0.00 0.00 60.65 59.55 3pck s ILE 475 Cb -0.05 -1.56 0.00 0.00 0.01 0.00 0.00 42.46 40.86 3pck s ILE 475 CO 0.01 0.52 0.09 1.07 0.00 0.00 0.00 174.94 176.63 3pck n THR 476 N 2.71 0.00 -4.05 2.92 5.66 -0.45 -5.01 114.28 116.06 3pck n THR 476 Ca -0.16 -0.17 -0.12 0.00 -3.05 0.00 0.00 64.05 60.54 3pck n THR 476 Cb 0.52 0.13 -0.11 0.00 -1.55 0.00 0.00 70.33 69.32 3pck n THR 476 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 175.07 170.92 3pck s GLN 477 N -2.05 0.49 -0.12 1.09 -0.21 -1.26 -1.18 119.66 116.42 3pck s GLN 477 Ca 0.03 -0.75 -0.03 0.00 0.02 0.00 0.00 55.36 54.63 3pck s GLN 477 Cb -0.00 -0.19 -0.03 0.00 1.00 0.00 0.00 33.01 33.79 3pck s GLN 477 CO 0.02 0.02 -0.02 -1.17 -2.12 0.00 0.00 175.29 172.02 3pck s LEU 478 N -1.63 3.41 0.38 2.90 0.20 -0.45 -4.84 118.68 118.65 3pck s LEU 478 Ca -0.10 -0.00 0.08 0.00 0.69 0.00 0.00 54.13 54.79 3pck s LEU 478 Cb -0.09 -1.80 -0.06 0.00 -0.43 0.00 0.00 46.19 43.81 3pck s LEU 478 CO -0.00 0.27 0.04 -0.31 -0.29 0.00 0.00 176.35 176.06 3pck s TYR 479 N -0.21 2.54 -0.16 5.38 2.02 -0.20 -1.96 117.35 124.76 3pck s TYR 479 Ca 0.05 -0.56 -0.03 0.00 -0.37 0.00 0.00 57.07 56.16 3pck s TYR 479 Cb -0.13 -1.69 -0.02 0.00 -0.40 0.00 0.00 41.96 39.72 3pck s TYR 479 CO 0.02 0.40 -0.05 -0.06 -1.57 0.00 0.00 175.55 174.30 3pck s PHE 480 N -2.61 2.99 -0.10 2.71 0.40 -1.26 -0.98 117.98 119.13 3pck s PHE 480 Ca 0.36 -0.39 -0.39 0.00 -0.60 0.00 0.00 56.93 55.91 3pck s PHE 480 Cb 0.04 -1.96 -0.17 0.00 0.51 0.00 0.00 43.02 41.45 3pck s PHE 480 CO 0.19 -0.10 1.46 -1.91 0.70 0.00 0.00 175.22 175.57 3pck n GLU 481 N 3.64 0.89 -0.35 0.44 2.13 -0.91 -1.62 120.64 124.86 3pck n GLU 481 Ca -0.17 0.32 0.00 0.00 0.66 0.00 0.00 57.16 57.97 3pck n GLU 481 Cb 0.52 -1.95 0.00 0.00 0.27 0.00 0.00 31.44 30.29 3pck n GLU 481 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3pck n GLY 482 N 3.08 1.90 3.65 8.31 0.00 -1.26 -5.00 105.19 115.87 3pck n GLY 482 Ca 0.22 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.82 3pck n GLY 482 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3pck n ASP 483 N 0.00 3.92 0.13 1.61 -0.08 -0.64 -4.86 116.55 116.63 3pck n ASP 483 Ca 0.00 0.75 0.10 0.00 -1.51 0.00 0.00 54.79 54.13 3pck n ASP 483 Cb 0.00 -1.52 0.48 0.00 2.34 0.00 0.00 41.12 42.42 3pck n ASP 483 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 3pck n PRO 484 N 7.76 0.14 0.21 -0.67 -0.04 -1.26 -2.30 135.00 138.85 3pck n PRO 484 Ca 0.23 0.52 0.11 0.00 -0.04 0.00 0.00 63.50 64.32 3pck n PRO 484 Cb 0.41 -1.85 0.16 0.00 -0.04 0.00 0.00 33.50 32.17 3pck n PRO 484 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 3pck h LEU 485 N 0.00 0.00 -0.36 1.53 3.38 -1.95 -3.37 115.31 114.54 3pck h LEU 485 Ca 0.00 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.04 3pck h LEU 485 Cb 0.15 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 40.81 3pck h LEU 485 CO 0.00 0.04 -0.39 0.40 0.09 0.00 0.00 178.44 178.58 3pck h ILE 486 N 0.00 0.16 -0.02 1.22 2.04 -1.84 -1.83 117.51 117.24 3pck h ILE 486 Ca -0.00 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.87 3pck h ILE 486 Cb 1.03 0.16 -0.00 0.00 -0.74 0.00 0.00 36.82 37.27 3pck h ILE 486 CO 0.01 0.00 0.03 -0.65 0.00 0.00 0.00 178.15 177.53 3pck h PRO 487 N -0.32 0.00 0.00 2.37 0.11 -1.82 -2.91 132.00 129.43 3pck h PRO 487 Ca 0.14 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.25 3pck h PRO 487 Cb 0.57 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.68 3pck h PRO 487 CO -0.53 0.00 -0.91 0.52 -0.21 0.00 0.00 178.00 176.87 3pck h MET 488 N 0.00 0.00 -6.51 1.05 2.86 -1.57 -3.47 114.93 107.29 3pck h MET 488 Ca 0.01 0.00 -0.53 0.00 -2.06 0.00 0.00 59.70 57.12 3pck h MET 488 Cb 0.07 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.73 3pck h MET 488 CO -0.00 0.00 0.51 0.00 1.06 0.00 0.00 176.91 178.48 3pck h PRO 490 N 6.41 0.00 -0.23 0.00 0.11 -1.90 -0.52 132.00 135.86 3pck h PRO 490 Ca -0.42 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.59 3pck h PRO 490 Cb 1.21 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 3pck h PRO 490 CO 0.78 0.33 -0.23 0.82 -0.21 0.00 0.00 178.00 179.49 3pck h ILE 491 N 0.00 1.32 0.20 4.15 2.04 -1.92 -2.54 117.51 120.76 3pck h ILE 491 Ca -0.00 -1.39 0.00 0.00 1.00 0.00 0.00 64.86 64.47 3pck h ILE 491 Cb 0.63 1.70 -0.02 0.00 -0.74 0.00 0.00 36.82 38.39 3pck h ILE 491 CO 0.04 0.43 -0.20 0.58 0.00 0.00 0.00 178.15 179.00 3pck h VAL 492 N 0.26 0.56 0.00 1.67 2.07 -1.78 -1.41 116.25 117.62 3pck h VAL 492 Ca 0.04 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.56 3pck h VAL 492 Cb 0.78 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 31.11 3pck h VAL 492 CO 0.06 0.00 0.02 0.29 0.02 0.00 0.00 177.57 177.96 3pck n LYS 493 N -5.33 0.00 0.26 1.57 5.02 -0.24 -1.05 118.16 118.39 3pck n LYS 493 Ca -0.08 0.36 0.17 0.00 -2.02 0.00 0.00 58.31 56.75 3pck n LYS 493 Cb 0.24 -1.52 0.81 0.00 -0.02 0.00 0.00 35.03 34.54 3pck n LYS 493 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3pck h SER 494 N 0.00 0.00 -3.55 4.39 4.64 -0.80 -3.39 113.55 114.84 3pck h SER 494 Ca 0.00 0.00 -0.62 0.00 -0.47 0.00 0.00 61.79 60.70 3pck h SER 494 Cb 0.04 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 62.00 3pck h SER 494 CO 0.00 0.00 0.16 -0.63 -0.87 0.00 0.00 176.83 175.49 3pck s ILE 495 N -3.75 4.90 0.17 0.95 1.01 -0.22 -3.72 121.20 120.55 3pck s ILE 495 Ca -0.01 0.73 -0.10 0.00 0.00 0.00 0.00 60.65 61.27 3pck s ILE 495 Cb 0.10 -4.05 0.04 0.00 0.01 0.00 0.00 42.46 38.56 3pck s ILE 495 CO 0.44 -0.24 1.62 0.00 0.00 0.00 0.00 174.94 176.75 3pck h ALA 496 N 8.34 0.76 -2.86 9.38 0.00 -1.83 -3.44 119.26 129.61 3pck h ALA 496 Ca -0.26 -0.32 -0.59 0.00 0.00 0.00 0.00 54.91 53.74 3pck h ALA 496 Cb 1.11 -0.21 -0.10 0.00 0.00 0.00 0.00 17.79 18.60 3pck h ALA 496 CO 0.82 0.62 -0.15 1.21 0.00 0.00 0.00 179.25 181.76 3pck s ASN 497 N -6.54 6.55 0.57 0.00 3.04 -1.26 -4.95 114.94 112.34 3pck s ASN 497 Ca -0.12 0.66 0.26 0.00 0.04 0.00 0.00 52.86 53.70 3pck s ASN 497 Cb 0.13 -2.26 1.66 0.00 -1.54 0.00 0.00 41.25 39.24 3pck s ASN 497 CO 0.85 -0.06 2.21 -0.65 -3.04 0.00 0.00 177.10 176.41 3pck h PRO 498 N 7.11 0.00 -0.38 0.43 0.11 -2.00 -0.73 132.00 136.55 3pck h PRO 498 Ca -0.38 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.60 3pck h PRO 498 Cb 1.17 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 3pck h PRO 498 CO 0.74 0.02 -0.29 0.93 -0.21 0.00 0.00 178.00 179.18 3pck h GLU 499 N 0.00 0.81 -0.34 1.05 5.08 -1.98 -2.66 114.58 116.55 3pck h GLU 499 Ca -0.00 -0.37 -0.09 0.00 -1.00 0.00 0.00 59.36 57.90 3pck h GLU 499 Cb 0.04 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 3pck h GLU 499 CO 0.00 1.00 -0.18 0.00 -1.00 0.00 0.00 179.01 178.84 3pck h ALA 500 N 0.97 1.06 -0.88 3.43 0.00 -1.51 -2.75 119.26 119.58 3pck h ALA 500 Ca 0.08 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 3pck h ALA 500 Cb 0.84 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.44 3pck h ALA 500 CO 0.07 0.57 0.47 0.28 0.00 0.00 0.00 179.25 180.64 3pck h VAL 501 N 0.56 1.26 -0.20 0.00 2.07 -1.20 -2.35 116.25 116.39 3pck h VAL 501 Ca 0.09 -0.67 0.00 0.00 0.82 0.00 0.00 66.70 66.95 3pck h VAL 501 Cb 0.62 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.46 3pck h VAL 501 CO 0.04 0.30 0.13 1.56 0.02 0.00 0.00 177.57 179.62 3pck h GLN 502 N 1.24 0.26 0.00 1.57 1.08 -1.17 -1.61 115.11 116.48 3pck h GLN 502 Ca 0.31 -0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 57.48 3pck h GLN 502 Cb 0.05 -0.06 -0.00 0.00 -0.05 0.00 0.00 27.48 27.42 3pck h GLN 502 CO -0.05 0.18 -0.06 1.96 -0.95 0.00 0.00 178.83 179.91 3pck h GLN 503 N 0.27 0.00 -0.09 1.46 4.20 -1.37 -2.43 115.11 117.15 3pck h GLN 503 Ca 0.07 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.78 3pck h GLN 503 Cb -0.02 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.76 3pck h GLN 503 CO -0.01 0.06 0.00 1.28 -0.67 0.00 0.00 178.83 179.49 3pck n LEU 504 N -3.72 1.89 -4.55 1.46 4.77 -0.61 -4.89 117.00 111.36 3pck n LEU 504 Ca -0.02 -0.70 -0.40 0.00 -0.03 0.00 0.00 56.01 54.86 3pck n LEU 504 Cb 0.17 -0.05 -0.10 0.00 -2.33 0.00 0.00 43.42 41.10 3pck n LEU 504 CO 0.29 0.35 -0.08 -0.63 -1.33 0.00 0.00 177.39 175.99 3pck s ILE 505 N -1.89 5.25 0.15 -0.08 1.01 -0.92 -1.03 121.20 123.68 3pck s ILE 505 Ca 0.35 -0.04 -0.30 0.00 0.00 0.00 0.00 60.65 60.66 3pck s ILE 505 Cb 0.20 -3.72 -0.07 0.00 0.01 0.00 0.00 42.46 38.88 3pck s ILE 505 CO 0.31 0.02 1.17 0.00 0.00 0.00 0.00 174.94 176.44 3pck s ALA 506 N 1.83 3.41 -0.10 9.38 0.00 -0.15 -4.88 121.76 131.25 3pck s ALA 506 Ca 0.08 0.89 -0.10 0.00 0.00 0.00 0.00 51.96 52.84 3pck s ALA 506 Cb -0.17 -3.41 -0.05 0.00 0.00 0.00 0.00 23.12 19.50 3pck s ALA 506 CO 0.11 -0.35 0.22 0.15 0.00 0.00 0.00 175.76 175.88 3pck s LYS 507 N 0.12 3.65 0.22 0.00 -0.14 -0.59 -2.13 119.74 120.88 3pck s LYS 507 Ca 0.54 0.02 -0.32 0.00 -1.36 0.00 0.00 55.97 54.85 3pck s LYS 507 Cb -0.31 -3.22 -0.12 0.00 -1.68 0.00 0.00 37.83 32.50 3pck s LYS 507 CO 0.34 0.70 1.66 -0.11 -0.76 0.00 0.00 175.35 177.18 3pck n LEU 508 N 2.10 3.91 -3.74 3.17 7.94 -1.26 -0.51 117.00 128.60 3pck n LEU 508 Ca -0.18 1.09 -0.29 0.00 -1.11 0.00 0.00 56.01 55.52 3pck n LEU 508 Cb 0.54 -1.55 -0.13 0.00 0.53 0.00 0.00 43.42 42.81 3pck n LEU 508 CO 0.33 0.07 -0.20 -0.62 -1.11 0.00 0.00 177.39 175.87 3pck s ASP 509 N 0.94 3.70 0.58 1.96 -1.08 0.12 -4.83 116.67 118.05 3pck s ASP 509 Ca 0.73 -3.03 0.27 0.00 -0.52 0.00 0.00 52.55 50.00 3pck s ASP 509 Cb -0.54 -1.17 1.68 0.00 -1.46 0.00 0.00 42.92 41.43 3pck s ASP 509 CO 0.38 -0.21 2.19 0.24 0.52 0.00 0.00 175.17 178.29 3pck h MET 510 N 6.24 0.00 0.00 4.34 2.86 -1.93 -2.47 114.93 123.97 3pck h MET 510 Ca 0.06 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.61 3pck h MET 510 Cb 0.88 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.53 3pck h MET 510 CO 0.55 0.00 -0.42 -0.91 1.06 0.00 0.00 176.91 177.19 3pck h ASN 511 N 0.00 0.00 0.11 1.22 2.35 -1.94 -3.05 115.58 114.26 3pck h ASN 511 Ca 0.03 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 3pck h ASN 511 Cb 0.16 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.53 3pck h ASN 511 CO -0.00 0.42 -0.42 -3.20 -1.65 0.00 0.00 177.43 172.59 3pck n ASN 512 N -3.97 1.51 -4.77 5.81 5.15 -0.94 -4.96 115.26 113.09 3pck n ASN 512 Ca -0.02 -1.19 -0.35 0.00 -0.60 0.00 0.00 54.58 52.43 3pck n ASN 512 Cb 0.46 0.36 0.01 0.00 -0.53 0.00 0.00 39.78 40.08 3pck n ASN 512 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3pck s ALA 513 N -2.53 2.65 -0.38 5.20 0.00 -1.16 -4.76 121.76 120.79 3pck s ALA 513 Ca 0.20 0.83 -0.13 0.00 0.00 0.00 0.00 51.96 52.86 3pck s ALA 513 Cb 0.18 -3.37 0.01 0.00 0.00 0.00 0.00 23.12 19.95 3pck s ALA 513 CO 0.57 -0.87 0.25 -0.80 0.00 0.00 0.00 175.76 174.90 3pck s ASN 514 N -1.82 5.93 0.47 0.00 0.01 0.18 -4.99 114.94 114.72 3pck s ASN 514 Ca 0.73 -0.80 -0.22 0.00 -0.71 0.00 0.00 52.86 51.86 3pck s ASN 514 Cb -0.24 -2.10 -0.10 0.00 0.41 0.00 0.00 41.25 39.22 3pck s ASN 514 CO 0.29 -0.36 0.75 -2.65 -1.51 0.00 0.00 177.10 173.62 3pck n PRO 515 N 5.08 0.86 -1.24 -0.60 -0.02 -1.26 -1.16 135.00 136.67 3pck n PRO 515 Ca -0.12 0.32 -0.11 0.00 -2.02 0.00 0.00 63.50 61.57 3pck n PRO 515 Cb 0.47 -1.81 -0.05 0.00 -0.02 0.00 0.00 33.50 32.10 3pck n PRO 515 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 3pck n MET 516 N 0.12 -1.60 0.02 -0.52 2.81 -1.26 -4.68 117.12 112.01 3pck n MET 516 Ca 0.11 0.78 0.00 0.00 -1.81 0.00 0.00 57.70 56.78 3pck n MET 516 Cb 0.42 -5.01 0.00 0.00 -0.71 0.00 0.00 33.22 27.92 3pck n MET 516 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 3pck n ASP 517 N -0.65 -0.02 -3.84 7.83 2.03 -0.31 -5.16 116.55 116.44 3pck n ASP 517 Ca -0.11 0.07 -0.11 0.00 0.52 0.00 0.00 54.79 55.16 3pck n ASP 517 Cb 0.50 0.05 -0.09 0.00 -0.72 0.00 0.00 41.12 40.86 3pck n ASP 517 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3pck s LEU 519 N -1.63 2.96 0.02 0.00 1.43 -0.86 -0.64 118.68 119.96 3pck s LEU 519 Ca -0.11 0.09 -0.00 0.00 -1.03 0.00 0.00 54.13 53.07 3pck s LEU 519 Cb -0.05 -2.64 -0.02 0.00 0.03 0.00 0.00 46.19 43.51 3pck s LEU 519 CO 0.00 -1.68 -0.02 0.00 0.23 0.00 0.00 176.35 174.88 3pck s ALA 520 N -3.17 0.15 -0.02 4.21 0.00 -1.26 -0.27 121.76 121.41 3pck s ALA 520 Ca 0.63 -0.65 0.04 0.00 0.00 0.00 0.00 51.96 51.98 3pck s ALA 520 Cb -0.08 0.16 -0.01 0.00 0.00 0.00 0.00 23.12 23.19 3pck s ALA 520 CO 0.44 -0.19 -0.15 0.71 0.00 0.00 0.00 175.76 176.57 3pck s TYR 521 N -1.77 1.37 -0.17 0.00 1.51 0.78 0.13 117.35 119.19 3pck s TYR 521 Ca -0.13 -0.29 -0.04 0.00 -1.01 0.00 0.00 57.07 55.60 3pck s TYR 521 Cb -0.08 -0.90 -0.03 0.00 -0.11 0.00 0.00 41.96 40.85 3pck s TYR 521 CO -0.02 -0.05 -0.03 0.50 -1.11 0.00 0.00 175.55 174.84 3pck s ARG 522 N -0.25 3.66 -0.29 -0.62 6.06 0.33 -1.17 118.95 126.67 3pck s ARG 522 Ca 0.04 -0.52 -0.03 0.00 -2.50 0.00 0.00 55.73 52.72 3pck s ARG 522 Cb -0.07 -2.96 0.11 0.00 0.06 0.00 0.00 34.95 32.10 3pck s ARG 522 CO -0.00 0.18 0.19 0.12 -2.50 0.00 0.00 175.30 173.29 3pck s PHE 523 N 0.52 0.08 0.21 5.12 5.36 0.03 -1.54 117.98 127.77 3pck s PHE 523 Ca -0.03 -0.68 -0.10 0.00 -0.96 0.00 0.00 56.93 55.16 3pck s PHE 523 Cb -0.14 -0.76 -0.07 0.00 -0.34 0.00 0.00 43.02 41.71 3pck s PHE 523 CO 0.03 -0.86 0.54 -0.51 -1.46 0.00 0.00 175.22 172.96 3pck s ASP 524 N 2.15 6.66 -0.05 6.13 1.01 -1.26 -3.83 116.67 127.48 3pck s ASP 524 Ca 0.09 0.94 0.04 0.00 0.71 0.00 0.00 52.55 54.34 3pck s ASP 524 Cb -0.16 -2.23 -0.00 0.00 1.01 0.00 0.00 42.92 41.54 3pck s ASP 524 CO -0.34 -0.03 -0.18 -0.63 0.21 0.00 0.00 175.17 174.20 3pck s ILE 525 N -1.73 1.47 -0.18 0.77 1.01 0.11 -4.92 121.20 117.73 3pck s ILE 525 Ca 0.45 -0.74 -0.01 0.00 0.00 0.00 0.00 60.65 60.36 3pck s ILE 525 Cb -0.12 -1.27 0.00 0.00 0.01 0.00 0.00 42.46 41.09 3pck s ILE 525 CO 0.21 0.42 -0.13 -0.69 0.00 0.00 0.00 174.94 174.75 3pck s VAL 526 N 0.06 2.68 0.35 2.92 1.01 -1.26 -0.86 120.40 125.31 3pck s VAL 526 Ca -0.05 -0.74 0.07 0.00 0.00 0.00 0.00 61.98 61.27 3pck s VAL 526 Cb -0.12 -2.16 -0.02 0.00 0.00 0.00 0.00 36.38 34.07 3pck s VAL 526 CO 0.03 0.49 0.33 -0.76 0.00 0.00 0.00 175.10 175.19 3pck s LEU 527 N 1.20 3.58 0.13 3.92 1.43 0.12 -4.93 118.68 124.12 3pck s LEU 527 Ca 0.02 -0.53 -0.35 0.00 -1.03 0.00 0.00 54.13 52.25 3pck s LEU 527 Cb -0.14 -2.23 -0.17 0.00 0.03 0.00 0.00 46.19 43.68 3pck s LEU 527 CO -0.06 -0.43 1.14 0.54 0.23 0.00 0.00 176.35 177.77 3pck n ARG 528 N -1.44 0.88 -2.13 1.70 1.74 -1.26 -1.09 116.66 115.06 3pck n ARG 528 Ca -0.00 0.32 -0.41 0.00 -0.77 0.00 0.00 57.85 56.98 3pck n ARG 528 Cb 0.60 -1.81 -0.02 0.00 -1.02 0.00 0.00 32.46 30.21 3pck n ARG 528 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 3pck s GLY 529 N 0.04 2.88 -0.10 -0.13 0.00 -1.26 -4.30 107.32 104.45 3pck s GLY 529 Ca 0.78 1.24 -0.03 0.00 0.00 0.00 0.00 44.72 46.71 3pck s GLY 529 CO 0.52 1.95 0.01 1.62 0.00 0.00 0.00 173.10 177.20 3pck s GLN 530 N -1.48 3.14 0.16 2.90 0.74 -1.26 -1.85 119.66 122.01 3pck s GLN 530 Ca 0.50 -0.39 -0.02 0.00 0.05 0.00 0.00 55.36 55.50 3pck s GLN 530 Cb -0.39 -2.86 -0.04 0.00 1.10 0.00 0.00 33.01 30.82 3pck s GLN 530 CO 0.50 0.65 0.12 -0.98 -0.55 0.00 0.00 175.29 175.03 3pck s ARG 531 N -0.72 1.08 0.39 1.67 1.70 -0.47 -4.96 118.95 117.64 3pck s ARG 531 Ca 0.11 -1.48 -0.01 0.00 -0.47 0.00 0.00 55.73 53.88 3pck s ARG 531 Cb -0.12 0.28 -0.03 0.00 -0.57 0.00 0.00 34.95 34.51 3pck s ARG 531 CO 0.02 -0.34 0.62 -1.59 -1.08 0.00 0.00 175.30 172.94 3pck s LYS 532 N -4.08 3.51 0.70 3.89 -2.85 -1.26 -0.37 119.74 119.27 3pck s LYS 532 Ca 0.29 -0.15 -0.11 0.00 -1.00 0.00 0.00 55.97 55.00 3pck s LYS 532 Cb 0.07 -2.57 0.01 0.00 -2.06 0.00 0.00 37.83 33.28 3pck s LYS 532 CO 0.06 0.04 1.06 0.95 0.10 0.00 0.00 175.35 177.56 3pck s THR 533 N -2.45 3.96 -0.24 3.79 -4.23 -1.21 -4.73 115.64 110.54 3pck s THR 533 Ca 0.42 0.64 -0.20 0.00 -1.18 0.00 0.00 61.69 61.37 3pck s THR 533 Cb -0.10 -3.36 0.06 0.00 1.34 0.00 0.00 72.50 70.45 3pck s THR 533 CO 0.39 -0.83 0.63 -1.38 -0.54 0.00 0.00 174.62 172.89 3pck s HIS 534 N -3.02 -0.75 -0.65 3.99 -3.43 -1.26 -4.92 115.29 105.25 3pck s HIS 534 Ca 0.58 1.75 0.00 0.00 -0.80 0.00 0.00 55.06 56.59 3pck s HIS 534 Cb -0.14 0.30 0.00 0.00 -1.43 0.00 0.00 32.58 31.31 3pck s HIS 534 CO 0.55 -0.37 0.00 1.19 -2.00 0.00 0.00 174.74 174.11 3pck n PHE 535 N 3.08 -1.51 1.73 0.38 3.01 -1.26 -5.25 117.46 117.63 3pck n PHE 535 Ca -0.15 0.00 0.14 0.00 1.01 0.00 0.00 57.45 58.45 3pck n PHE 535 Cb 0.56 -2.02 0.82 0.00 -0.01 0.00 0.00 39.48 38.84 3pck n PHE 535 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16