#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 2.37 0.02 0.55 0.00 -1.26 -5.08 121.76 118.36 3pck s ALA 302 Ca 0.00 0.17 -0.00 0.00 0.00 0.00 0.00 51.96 52.13 3pck s ALA 302 Cb 0.00 -3.23 -0.02 0.00 0.00 0.00 0.00 23.12 19.87 3pck s ALA 302 CO 0.00 -1.61 -0.03 -0.65 0.00 0.00 0.00 175.76 173.47 3pck s GLN 303 N -4.96 0.34 -1.10 0.00 -0.21 -1.26 -5.10 119.66 107.37 3pck s GLN 303 Ca 0.60 -0.66 -0.22 0.00 0.02 0.00 0.00 55.36 55.10 3pck s GLN 303 Cb -0.16 0.12 0.05 0.00 1.00 0.00 0.00 33.01 34.02 3pck s GLN 303 CO 0.56 -0.06 1.55 0.34 -2.12 0.00 0.00 175.29 175.56 3pck s ASP 304 N -1.59 6.54 0.00 5.90 2.15 -1.26 -4.62 116.67 123.79 3pck s ASP 304 Ca -0.14 -1.70 0.00 0.00 0.43 0.00 0.00 52.55 51.14 3pck s ASP 304 Cb -0.08 -2.57 0.00 0.00 -0.30 0.00 0.00 42.92 39.96 3pck s ASP 304 CO -0.02 -1.47 0.33 -0.46 -0.17 0.00 0.00 175.17 173.38 3pck n ASN 305 N 8.95 0.65 -4.33 -0.34 0.23 -1.26 -5.03 115.26 114.14 3pck n ASN 305 Ca 0.38 -0.83 -0.19 0.00 -0.53 0.00 0.00 54.58 53.40 3pck n ASN 305 Cb 0.49 0.30 -0.10 0.00 -2.08 0.00 0.00 39.78 38.39 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 -0.30 2.55 0.05 0.53 0.01 -1.26 -3.42 113.70 111.86 3pck s SER 306 Ca 0.00 -0.95 0.06 0.00 1.31 0.00 0.00 55.95 56.37 3pck s SER 306 Cb 0.00 -0.14 -0.02 0.00 0.21 0.00 0.00 66.02 66.07 3pck s SER 306 CO 0.00 -0.13 -0.18 -0.13 0.41 0.00 0.00 173.24 173.22 3pck s ARG 307 N -3.29 1.14 -0.08 12.44 1.81 -0.46 -4.84 118.95 125.67 3pck s ARG 307 Ca 0.19 -0.89 0.02 0.00 -1.72 0.00 0.00 55.73 53.33 3pck s ARG 307 Cb -0.03 -1.22 -0.02 0.00 -0.45 0.00 0.00 34.95 33.23 3pck s ARG 307 CO 0.06 0.30 -0.13 -0.06 -0.68 0.00 0.00 175.30 174.80 3pck s PHE 308 N -0.88 2.76 0.40 -0.53 0.08 -1.26 -0.87 117.98 117.67 3pck s PHE 308 Ca 0.04 -0.33 -0.27 0.00 0.12 0.00 0.00 56.93 56.50 3pck s PHE 308 Cb -0.09 -1.72 -0.10 0.00 -0.57 0.00 0.00 43.02 40.54 3pck s PHE 308 CO 0.02 0.05 1.41 0.28 -0.10 0.00 0.00 175.22 176.88 3pck n VAL 309 N 2.76 2.29 -2.08 -0.44 0.31 -0.50 -4.89 118.33 115.78 3pck n VAL 309 Ca -0.18 -0.50 -0.42 0.00 -0.01 0.00 0.00 64.34 63.24 3pck n VAL 309 Cb 0.52 -1.82 -0.03 0.00 -0.91 0.00 0.00 33.84 31.60 3pck n VAL 309 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 3pck s ILE 310 N -1.15 3.02 0.57 2.52 -1.09 -1.26 -4.73 121.20 119.08 3pck s ILE 310 Ca 0.57 0.75 -0.21 0.00 -2.23 0.00 0.00 60.65 59.53 3pck s ILE 310 Cb -0.49 -3.48 -0.04 0.00 -1.58 0.00 0.00 42.46 36.87 3pck s ILE 310 CO 0.61 0.07 1.34 0.54 -1.23 0.00 0.00 174.94 176.27 3pck n ARG 311 N 3.70 1.56 -3.26 2.79 1.74 -1.26 -4.96 116.66 116.97 3pck n ARG 311 Ca 0.11 0.58 -0.46 0.00 -0.77 0.00 0.00 57.85 57.31 3pck n ARG 311 Cb 0.41 -2.56 -0.04 0.00 -1.02 0.00 0.00 32.46 29.25 3pck n ARG 311 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3pck s ASP 312 N -1.01 6.36 0.00 0.55 -1.08 -1.26 -4.90 116.67 115.32 3pck s ASP 312 Ca 0.74 -1.97 0.14 0.00 -0.52 0.00 0.00 52.55 50.94 3pck s ASP 312 Cb -0.41 -2.24 0.86 0.00 -1.46 0.00 0.00 42.92 39.68 3pck s ASP 312 CO 0.47 -0.84 1.35 0.54 0.52 0.00 0.00 175.17 177.21 3pck n ARG 313 N 5.18 0.70 0.00 4.34 1.74 -1.26 -1.62 116.66 125.73 3pck n ARG 313 Ca -0.04 0.00 0.09 0.00 -0.77 0.00 0.00 57.85 57.13 3pck n ARG 313 Cb 0.43 -1.32 -0.08 0.00 -1.02 0.00 0.00 32.46 30.46 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 -0.82 1.16 -0.09 0.55 3.02 -1.26 -4.37 115.26 113.44 3pck n ASN 314 Ca 0.11 -1.08 -0.23 0.00 -0.03 0.00 0.00 54.58 53.35 3pck n ASN 314 Cb 0.05 0.86 -0.12 0.00 -0.61 0.00 0.00 39.78 39.96 3pck n ASN 314 CO 0.00 0.00 0.00 1.87 -2.62 0.00 0.00 177.26 176.51 3pck n TRP 315 N -1.07 0.83 -1.58 3.10 -0.00 -0.64 -4.68 117.44 113.40 3pck n TRP 315 Ca 0.05 0.31 -0.32 0.00 -0.00 0.00 0.00 57.50 57.54 3pck n TRP 315 Cb 0.33 -1.09 0.06 0.00 -0.00 0.00 0.00 31.31 30.61 3pck n TRP 315 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 177.69 176.68 3pck s HIS 316 N -2.43 2.62 0.58 5.87 3.76 -1.03 -4.71 115.29 119.95 3pck s HIS 316 Ca -0.30 1.55 -0.20 0.00 -0.15 0.00 0.00 55.06 55.97 3pck s HIS 316 Cb 0.08 -3.12 -0.04 0.00 1.11 0.00 0.00 32.58 30.61 3pck s HIS 316 CO 0.60 -1.71 1.24 -1.25 -0.85 0.00 0.00 174.74 172.77 3pck s PRO 317 N -4.39 3.02 0.81 8.40 0.04 -1.26 -4.79 135.00 136.83 3pck s PRO 317 Ca 0.65 1.92 -0.12 0.00 0.04 0.00 0.00 61.00 63.49 3pck s PRO 317 Cb -0.19 -2.02 0.08 0.00 0.04 0.00 0.00 34.50 32.41 3pck s PRO 317 CO 0.47 -1.19 1.14 0.15 0.04 0.00 0.00 177.00 177.61 3pck s LYS 318 N -3.20 1.98 0.02 4.56 -0.14 -1.23 -5.00 119.74 116.73 3pck s LYS 318 Ca 0.76 0.29 -0.25 0.00 -1.36 0.00 0.00 55.97 55.41 3pck s LYS 318 Cb -0.33 -1.94 -0.17 0.00 -1.68 0.00 0.00 37.83 33.72 3pck s LYS 318 CO 0.36 -1.62 1.31 0.00 -0.76 0.00 0.00 175.35 174.64 3pck h ALA 319 N -1.08 -0.37 -2.25 5.17 0.00 -1.95 -3.41 119.26 115.38 3pck h ALA 319 Ca -0.47 -0.17 -0.70 0.00 0.00 0.00 0.00 54.91 53.57 3pck h ALA 319 Cb 1.31 0.14 -0.19 0.00 0.00 0.00 0.00 17.79 19.05 3pck h ALA 319 CO 0.64 -0.56 -0.13 -1.17 0.00 0.00 0.00 179.25 178.03 3pck s LEU 320 N -9.58 5.09 -0.44 0.00 2.96 -1.26 -4.80 118.68 110.65 3pck s LEU 320 Ca -0.14 -0.92 0.02 0.00 -0.22 0.00 0.00 54.13 52.86 3pck s LEU 320 Cb 0.03 -2.37 0.14 0.00 0.50 0.00 0.00 46.19 44.49 3pck s LEU 320 CO 0.57 -0.72 0.26 0.42 -1.32 0.00 0.00 176.35 175.56 3pck s THR 321 N 2.21 1.20 0.55 3.68 -4.23 -1.26 -5.03 115.64 112.76 3pck s THR 321 Ca 0.11 -2.52 0.38 0.00 -1.18 0.00 0.00 61.69 58.48 3pck s THR 321 Cb -0.20 -1.84 0.57 0.00 1.34 0.00 0.00 72.50 72.37 3pck s THR 321 CO 0.11 -0.94 1.75 1.55 -0.54 0.00 0.00 174.62 176.55 3pck h PRO 322 N 6.61 0.00 0.00 3.99 0.14 -1.95 -0.46 132.00 140.33 3pck h PRO 322 Ca 0.03 0.00 -0.01 0.00 0.14 0.00 0.00 66.00 66.16 3pck h PRO 322 Cb 0.92 0.00 -0.00 0.00 0.14 0.00 0.00 31.00 32.06 3pck h PRO 322 CO 0.45 0.00 -0.06 -0.44 0.14 0.00 0.00 178.00 178.09 3pck h ASP 323 N 0.00 0.00 -3.19 1.44 3.32 -1.96 -3.25 116.42 112.79 3pck h ASP 323 Ca 0.60 0.00 -0.74 0.00 0.02 0.00 0.00 57.03 56.90 3pck h ASP 323 Cb 2.46 0.00 -0.22 0.00 0.22 0.00 0.00 39.33 41.79 3pck h ASP 323 CO -0.01 0.06 0.32 -0.47 -1.72 0.00 0.00 179.24 177.43 3pck s TYR 324 N -3.72 3.41 0.23 4.55 5.04 -0.18 -4.84 117.35 121.84 3pck s TYR 324 Ca 0.00 -1.60 -0.07 0.00 -2.44 0.00 0.00 57.07 52.97 3pck s TYR 324 Cb 0.10 -4.00 0.40 0.00 0.35 0.00 0.00 41.96 38.81 3pck s TYR 324 CO 0.56 -1.20 1.70 0.87 -1.34 0.00 0.00 175.55 176.14 3pck h LYS 325 N 8.40 0.28 -0.01 4.97 1.57 -1.79 -2.15 116.57 127.83 3pck h LYS 325 Ca 0.03 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 3pck h LYS 325 Cb 1.05 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 33.29 3pck h LYS 325 CO 0.94 0.18 0.05 1.15 -0.57 0.00 0.00 179.45 181.20 3pck h THR 326 N 0.28 0.14 0.00 -0.16 2.02 -1.92 -1.85 112.91 111.43 3pck h THR 326 Ca 0.38 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.53 3pck h THR 326 Cb 0.61 0.95 -0.00 0.00 -1.74 0.00 0.00 68.15 67.97 3pck h THR 326 CO -0.46 0.00 -0.15 0.77 0.37 0.00 0.00 175.52 176.05 3pck h SER 327 N 0.00 0.00 0.12 4.18 4.64 -1.68 -3.12 113.55 117.69 3pck h SER 327 Ca 0.01 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 61.35 3pck h SER 327 Cb 0.11 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.16 3pck h SER 327 CO -0.00 0.15 -0.30 0.40 -0.87 0.00 0.00 176.83 176.21 3pck h ILE 328 N 0.00 0.35 -0.00 0.95 2.04 -1.49 -2.73 117.51 116.63 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 0.65 0.35 0.00 0.00 -0.74 0.00 0.00 36.82 37.09 3pck h ILE 328 CO 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 178.15 177.87 3pck n ALA 329 N -2.67 3.09 -1.49 1.87 0.00 -1.24 -4.03 120.51 116.04 3pck n ALA 329 Ca -0.07 -0.29 -0.04 0.00 0.00 0.00 0.00 53.44 53.05 3pck n ALA 329 Cb 0.32 -1.23 0.20 0.00 0.00 0.00 0.00 19.45 18.73 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 -1.29 1.83 -4.75 0.00 1.74 -1.08 -4.98 116.66 108.12 3pck n ARG 330 Ca 0.08 -3.23 -0.25 0.00 -0.77 0.00 0.00 57.85 53.68 3pck n ARG 330 Cb 0.33 -1.80 -0.16 0.00 -1.02 0.00 0.00 32.46 29.80 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 -2.66 2.00 0.64 0.55 1.04 -1.05 -4.95 113.70 109.27 3pck s SER 331 Ca 0.44 -0.33 -0.17 0.00 0.48 0.00 0.00 55.95 56.37 3pck s SER 331 Cb 0.40 -0.60 -0.01 0.00 0.10 0.00 0.00 66.02 65.92 3pck s SER 331 CO -0.01 0.13 1.21 -2.16 0.98 0.00 0.00 173.24 173.38 3pck s PRO 332 N 0.13 2.67 -0.03 4.02 0.04 -1.26 -4.93 135.00 135.65 3pck s PRO 332 Ca -0.05 1.79 0.14 0.00 0.04 0.00 0.00 61.00 62.92 3pck s PRO 332 Cb -0.12 -1.89 -0.22 0.00 0.04 0.00 0.00 34.50 32.31 3pck s PRO 332 CO 0.02 -1.43 0.30 0.54 0.04 0.00 0.00 177.00 176.47 3pck n ARG 333 N -2.02 0.50 -3.03 4.56 5.12 -1.26 -4.93 116.66 115.61 3pck n ARG 333 Ca 0.14 -0.12 -0.31 0.00 -1.93 0.00 0.00 57.85 55.62 3pck n ARG 333 Cb 0.50 -1.34 -0.05 0.00 -1.16 0.00 0.00 32.46 30.42 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 -2.94 3.88 0.60 5.56 -1.52 -1.26 -5.05 119.66 118.93 3pck s GLN 334 Ca -0.05 0.54 -0.17 0.00 -1.95 0.00 0.00 55.36 53.72 3pck s GLN 334 Cb 0.09 -2.43 -0.03 0.00 -0.22 0.00 0.00 33.01 30.42 3pck s GLN 334 CO 0.58 0.08 1.12 0.00 -0.25 0.00 0.00 175.29 176.82 3pck s ALA 335 N -2.15 2.58 0.56 6.09 0.00 -1.26 -5.00 121.76 122.58 3pck s ALA 335 Ca 0.52 0.68 -0.19 0.00 0.00 0.00 0.00 51.96 52.97 3pck s ALA 335 Cb -0.10 -3.34 -0.05 0.00 0.00 0.00 0.00 23.12 19.63 3pck s ALA 335 CO 0.24 -1.03 1.15 -0.51 0.00 0.00 0.00 175.76 175.61 3pck s LEU 336 N -4.34 3.72 -0.22 0.00 1.43 -1.26 -5.00 118.68 113.01 3pck s LEU 336 Ca 0.70 2.22 -0.15 0.00 -1.03 0.00 0.00 54.13 55.86 3pck s LEU 336 Cb -0.22 -4.58 -0.04 0.00 0.03 0.00 0.00 46.19 41.38 3pck s LEU 336 CO 0.34 -1.31 0.38 -0.69 0.23 0.00 0.00 176.35 175.30 3pck s VAL 337 N -1.75 5.20 0.12 -1.59 1.01 -1.26 -5.06 120.40 117.07 3pck s VAL 337 Ca 0.74 0.65 -0.30 0.00 0.00 0.00 0.00 61.98 63.06 3pck s VAL 337 Cb -0.25 -3.71 -0.06 0.00 0.00 0.00 0.00 36.38 32.36 3pck s VAL 337 CO 0.29 0.24 0.97 -0.44 0.00 0.00 0.00 175.10 176.16 3pck s SER 338 N 1.14 7.50 0.04 3.32 0.01 -1.26 -5.06 113.70 119.39 3pck s SER 338 Ca 0.18 1.82 0.03 0.00 1.31 0.00 0.00 55.95 59.28 3pck s SER 338 Cb -0.15 -2.59 -0.02 0.00 0.21 0.00 0.00 66.02 63.47 3pck s SER 338 CO 0.08 -0.06 -0.09 0.27 0.41 0.00 0.00 173.24 173.85 3pck s ILE 339 N -0.08 0.66 0.51 1.44 -4.36 -1.26 -5.13 121.20 112.98 3pck s ILE 339 Ca 0.47 -1.01 -0.21 0.00 -0.26 0.00 0.00 60.65 59.64 3pck s ILE 339 Cb -0.24 -0.68 -0.06 0.00 1.25 0.00 0.00 42.46 42.73 3pck s ILE 339 CO 0.30 -0.27 1.17 -2.16 0.24 0.00 0.00 174.94 174.23 3pck s PRO 340 N -1.40 3.51 0.28 0.37 0.04 -1.26 -4.98 135.00 131.56 3pck s PRO 340 Ca -0.06 1.76 -0.29 0.00 0.04 0.00 0.00 61.00 62.44 3pck s PRO 340 Cb -0.09 -2.22 -0.10 0.00 0.04 0.00 0.00 34.50 32.13 3pck s PRO 340 CO 0.01 -0.76 1.28 -0.65 0.04 0.00 0.00 177.00 176.92 3pck s GLN 341 N -2.96 4.41 0.40 4.56 -0.21 -1.26 -5.01 119.66 119.58 3pck s GLN 341 Ca 0.68 2.10 0.05 0.00 0.02 0.00 0.00 55.36 58.21 3pck s GLN 341 Cb -0.28 -3.13 -0.02 0.00 1.00 0.00 0.00 33.01 30.58 3pck s GLN 341 CO 0.33 -0.15 0.18 -1.54 -2.12 0.00 0.00 175.29 171.98 3pck s SER 342 N -0.25 2.58 0.54 5.90 1.04 -1.26 -5.00 113.70 117.26 3pck s SER 342 Ca 0.51 -1.73 0.23 0.00 0.48 0.00 0.00 55.95 55.44 3pck s SER 342 Cb -0.38 0.57 1.42 0.00 0.10 0.00 0.00 66.02 67.74 3pck s SER 342 CO 0.46 -1.00 2.09 -0.29 0.98 0.00 0.00 173.24 175.48 3pck h ILE 343 N 1.84 0.77 -0.39 -1.02 2.10 -1.95 0.02 117.51 118.87 3pck h ILE 343 Ca -0.32 0.00 0.02 0.00 1.08 0.00 0.00 64.86 65.64 3pck h ILE 343 Cb 1.27 0.87 -0.03 0.00 -1.09 0.00 0.00 36.82 37.83 3pck h ILE 343 CO 0.50 0.00 0.21 0.28 -1.08 0.00 0.00 178.15 178.06 3pck h SER 344 N 0.00 0.32 0.73 2.19 0.02 -1.95 -3.11 113.55 111.77 3pck h SER 344 Ca 0.11 0.01 -0.24 0.00 -0.84 0.00 0.00 61.79 60.83 3pck h SER 344 Cb 0.48 -0.05 -0.04 0.00 0.14 0.00 0.00 62.40 62.93 3pck h SER 344 CO -0.00 0.24 -1.38 -0.33 -1.14 0.00 0.00 176.83 174.22 3pck h GLU 345 N 0.43 0.00 -0.44 3.45 3.07 -1.45 -3.38 114.58 116.26 3pck h GLU 345 Ca 0.16 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.02 3pck h GLU 345 Cb 0.04 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.95 3pck h GLU 345 CO -0.10 0.65 0.00 0.25 -1.40 0.00 0.00 179.01 178.41 3pck n THR 346 N -3.14 0.59 -4.57 1.13 -2.24 -0.29 -2.92 114.28 102.83 3pck n THR 346 Ca -0.09 -0.60 -0.27 0.00 -2.27 0.00 0.00 64.05 60.82 3pck n THR 346 Cb 0.98 0.33 -0.09 0.00 -2.10 0.00 0.00 70.33 69.44 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 -1.41 1.13 0.00 4.28 -4.23 -1.17 -4.75 115.64 109.48 3pck s THR 347 Ca 0.31 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.82 3pck s THR 347 Cb 0.16 -2.54 0.00 0.00 1.34 0.00 0.00 72.50 71.47 3pck s THR 347 CO 0.22 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.91 3pck n GLY 348 N -0.94 -0.20 3.78 3.99 0.00 -1.25 -1.30 105.19 109.27 3pck n GLY 348 Ca -0.08 -0.90 -0.35 0.00 0.00 0.00 0.00 46.02 44.69 3pck n GLY 348 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3pck s PRO 349 N -2.00 3.36 -0.17 1.61 0.04 -1.26 -4.81 135.00 131.78 3pck s PRO 349 Ca 0.00 1.56 0.01 0.00 0.04 0.00 0.00 61.00 62.61 3pck s PRO 349 Cb 0.00 -2.01 0.01 0.00 0.04 0.00 0.00 34.50 32.54 3pck s PRO 349 CO 0.00 -0.83 -0.18 1.21 0.04 0.00 0.00 177.00 177.24 3pck s ASN 350 N -1.87 3.35 -0.19 6.66 3.84 -1.26 -4.85 114.94 120.61 3pck s ASN 350 Ca 0.72 -0.58 0.16 0.00 0.21 0.00 0.00 52.86 53.37 3pck s ASN 350 Cb -0.23 -1.51 0.79 0.00 -0.55 0.00 0.00 41.25 39.75 3pck s ASN 350 CO 0.27 0.04 1.71 0.49 -2.79 0.00 0.00 177.10 176.82 3pck n PHE 351 N 4.38 1.87 -0.11 0.43 3.72 -1.26 -4.59 117.46 121.89 3pck n PHE 351 Ca -0.20 -0.69 0.18 0.00 -0.05 0.00 0.00 57.45 56.69 3pck n PHE 351 Cb 0.51 -0.41 0.58 0.00 -0.94 0.00 0.00 39.48 39.21 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 4.06 0.24 -0.65 4.37 0.02 -1.95 -0.99 113.55 118.65 3pck h SER 352 Ca 0.00 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 3pck h SER 352 Cb 1.79 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 64.30 3pck h SER 352 CO 0.40 0.12 0.00 1.41 -1.14 0.00 0.00 176.83 177.62 3pck n HIS 353 N -4.44 0.90 -2.29 3.45 8.25 -1.26 -4.93 115.22 114.91 3pck n HIS 353 Ca 0.13 -0.44 -0.41 0.00 -0.26 0.00 0.00 57.72 56.74 3pck n HIS 353 Cb 0.58 -0.01 -0.03 0.00 1.12 0.00 0.00 29.99 31.64 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 -1.04 4.46 -0.76 2.41 2.96 -0.38 -4.95 118.68 121.38 3pck s LEU 354 Ca 0.44 2.41 -0.21 0.00 -0.22 0.00 0.00 54.13 56.55 3pck s LEU 354 Cb 0.23 -3.62 0.09 0.00 0.50 0.00 0.00 46.19 43.39 3pck s LEU 354 CO 0.29 -0.40 1.03 -0.83 -1.32 0.00 0.00 176.35 175.13 3pck s GLY 355 N -0.23 1.56 0.23 7.98 0.00 -1.26 -5.02 107.32 110.57 3pck s GLY 355 Ca 0.51 -2.18 -0.23 0.00 0.00 0.00 0.00 44.72 42.82 3pck s GLY 355 CO 0.43 2.06 0.79 -1.36 0.00 0.00 0.00 173.10 175.02 3pck s PHE 356 N 3.62 3.74 0.85 1.90 0.08 -1.26 -5.06 117.98 121.84 3pck s PHE 356 Ca 0.26 1.54 -0.11 0.00 0.12 0.00 0.00 56.93 58.74 3pck s PHE 356 Cb -0.12 -2.73 0.10 0.00 -0.57 0.00 0.00 43.02 39.70 3pck s PHE 356 CO 0.03 0.36 1.09 0.20 -0.10 0.00 0.00 175.22 176.80 3pck s GLY 357 N -1.49 1.62 0.30 4.36 0.00 -1.26 -4.94 107.32 105.90 3pck s GLY 357 Ca 0.42 -0.12 0.10 0.00 0.00 0.00 0.00 44.72 45.12 3pck s GLY 357 CO 0.23 0.34 1.68 0.00 0.00 0.00 0.00 173.10 175.35 3pck h ALA 358 N -1.33 1.10 -0.54 3.20 0.00 -2.02 -2.80 119.26 116.87 3pck h ALA 358 Ca -0.48 -0.48 -0.27 0.00 0.00 0.00 0.00 54.91 53.68 3pck h ALA 358 Cb 1.28 -0.09 -0.16 0.00 0.00 0.00 0.00 17.79 18.82 3pck h ALA 358 CO 0.57 0.66 0.13 0.72 0.00 0.00 0.00 179.25 181.33 3pck n HIS 359 N -3.92 1.67 -0.36 0.00 8.25 -1.26 -4.73 115.22 114.88 3pck n HIS 359 Ca -0.02 -1.63 -0.02 0.00 -0.26 0.00 0.00 57.72 55.79 3pck n HIS 359 Cb 0.54 -0.62 0.11 0.00 1.12 0.00 0.00 29.99 31.14 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 1.09 1.08 -0.60 0.41 5.19 -1.78 -2.19 116.42 119.62 3pck h ASP 360 Ca 0.33 -0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.72 3pck h ASP 360 Cb 2.01 -0.26 0.00 0.00 0.18 0.00 0.00 39.33 41.26 3pck h ASP 360 CO 0.59 0.77 0.00 0.00 -3.12 0.00 0.00 179.24 177.48 3pck n HIS 361 N -4.43 0.80 -3.92 4.55 1.44 -1.12 -2.48 115.22 110.05 3pck n HIS 361 Ca 0.11 -0.40 -0.32 0.00 -2.01 0.00 0.00 57.72 55.11 3pck n HIS 361 Cb 0.03 0.00 -0.13 0.00 0.12 0.00 0.00 29.99 30.01 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 -1.08 4.69 0.09 4.39 -1.08 -0.82 -1.76 116.67 121.09 3pck s ASP 362 Ca 0.42 -2.62 0.15 0.00 -0.52 0.00 0.00 52.55 49.98 3pck s ASP 362 Cb 0.22 -1.69 0.66 0.00 -1.46 0.00 0.00 42.92 40.65 3pck s ASP 362 CO 0.30 -0.33 1.47 0.18 0.52 0.00 0.00 175.17 177.31 3pck n LEU 363 N 3.67 0.21 0.17 -1.34 4.32 0.45 -0.43 117.00 124.05 3pck n LEU 363 Ca 0.04 0.56 0.05 0.00 -0.02 0.00 0.00 56.01 56.64 3pck n LEU 363 Cb 0.37 -0.54 0.17 0.00 -1.62 0.00 0.00 43.42 41.80 3pck n LEU 363 CO 0.30 -0.42 0.58 -0.07 -1.22 0.00 0.00 177.39 176.56 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 0.22 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.96 3pck h LEU 364 CO 0.00 0.42 -0.66 0.18 -1.08 0.00 0.00 178.44 177.30 3pck n LEU 365 N -3.32 0.00 0.00 1.67 4.77 -0.45 -4.63 117.00 115.03 3pck n LEU 365 Ca 0.01 -0.04 0.08 0.00 -0.03 0.00 0.00 56.01 56.04 3pck n LEU 365 Cb 0.63 0.00 0.49 0.00 -2.33 0.00 0.00 43.42 42.21 3pck n LEU 365 CO 0.38 0.00 0.71 -0.46 -1.33 0.00 0.00 177.39 176.69 3pck n ASN 366 N -1.07 0.00 0.00 -1.43 0.23 0.42 -5.06 115.26 108.36 3pck n ASN 366 Ca 0.00 -0.46 0.00 0.00 -0.53 0.00 0.00 54.58 53.59 3pck n ASN 366 Cb 0.00 -0.03 0.00 0.00 -2.08 0.00 0.00 39.78 37.67 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 -1.03 0.00 0.00 -2.53 7.35 -1.26 -4.98 117.46 115.00 3pck n PHE 367 Ca 0.12 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.81 3pck n PHE 367 Cb 0.07 0.00 0.00 0.00 0.35 0.00 0.00 39.48 39.90 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 2.13 0.00 3.89 7.13 0.00 -1.26 -4.80 105.19 112.28 3pck n GLY 371 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 4.27 0.74 0.99 1.02 -1.26 -4.83 118.68 119.61 3pck s LEU 372 Ca 0.00 0.65 -0.12 0.00 0.02 0.00 0.00 54.13 54.68 3pck s LEU 372 Cb 0.00 -3.27 0.04 0.00 0.02 0.00 0.00 46.19 42.98 3pck s LEU 372 CO 0.00 0.07 1.10 -2.84 0.02 0.00 0.00 176.35 174.70 3pck s PRO 373 N -2.52 2.43 -0.06 1.29 0.02 -1.26 -4.78 135.00 130.12 3pck s PRO 373 Ca 0.40 1.24 -0.17 0.00 0.02 0.00 0.00 61.00 62.49 3pck s PRO 373 Cb -0.12 -1.91 -0.05 0.00 0.02 0.00 0.00 34.50 32.43 3pck s PRO 373 CO 0.23 -1.52 0.45 0.42 -0.33 0.00 0.00 177.00 176.25 3pck s ILE 374 N -2.72 5.10 0.00 2.83 1.01 -1.26 -5.01 121.20 121.15 3pck s ILE 374 Ca 0.63 0.91 0.00 0.00 0.00 0.00 0.00 60.65 62.19 3pck s ILE 374 Cb -0.18 -3.77 0.00 0.00 0.01 0.00 0.00 42.46 38.51 3pck s ILE 374 CO 0.51 0.44 0.00 0.61 0.00 0.00 0.00 174.94 176.50 3pck n GLY 375 N 2.65 2.01 3.62 6.18 0.00 -1.26 -4.44 105.19 113.95 3pck n GLY 375 Ca -0.10 -1.74 -0.43 0.00 0.00 0.00 0.00 46.02 43.75 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 -1.61 3.79 -0.01 1.61 2.02 -1.26 -4.92 118.70 118.32 3pck s GLU 376 Ca 0.00 1.23 -0.30 0.00 0.02 0.00 0.00 54.97 55.92 3pck s GLU 376 Cb 0.00 -3.95 -0.05 0.00 0.10 0.00 0.00 34.13 30.22 3pck s GLU 376 CO 0.00 -1.29 1.43 1.03 0.02 0.00 0.00 175.26 176.45 3pck s ARG 377 N 4.49 4.27 -0.00 1.61 0.52 -1.26 -1.37 118.95 127.20 3pck s ARG 377 Ca 0.61 1.99 -0.13 0.00 -0.52 0.00 0.00 55.73 57.68 3pck s ARG 377 Cb -0.17 -3.61 0.02 0.00 0.52 0.00 0.00 34.95 31.70 3pck s ARG 377 CO 0.27 -0.61 0.26 0.96 0.02 0.00 0.00 175.30 176.20 3pck s ILE 378 N 2.59 0.07 -0.16 1.52 -4.36 -0.09 -2.49 121.20 118.27 3pck s ILE 378 Ca 0.65 -0.57 -0.07 0.00 -0.26 0.00 0.00 60.65 60.40 3pck s ILE 378 Cb -0.32 -0.62 -0.04 0.00 1.25 0.00 0.00 42.46 42.74 3pck s ILE 378 CO 0.26 -0.31 0.07 -0.63 0.24 0.00 0.00 174.94 174.57 3pck s ILE 379 N -1.53 4.85 -0.25 8.37 1.01 -0.23 -0.48 121.20 132.95 3pck s ILE 379 Ca -0.13 -0.02 -0.03 0.00 0.00 0.00 0.00 60.65 60.47 3pck s ILE 379 Cb -0.05 -3.16 0.01 0.00 0.01 0.00 0.00 42.46 39.27 3pck s ILE 379 CO 0.02 0.50 -0.04 -0.69 0.00 0.00 0.00 174.94 174.74 3pck s VAL 380 N 0.04 3.17 0.13 2.92 1.01 0.39 -0.62 120.40 127.45 3pck s VAL 380 Ca 0.06 -0.82 -0.01 0.00 0.00 0.00 0.00 61.98 61.21 3pck s VAL 380 Cb -0.12 -2.56 -0.04 0.00 0.00 0.00 0.00 36.38 33.66 3pck s VAL 380 CO 0.01 0.25 0.05 0.00 0.00 0.00 0.00 175.10 175.41 3pck s ALA 381 N 1.40 0.91 0.00 5.51 0.00 -0.77 -0.62 121.76 128.17 3pck s ALA 381 Ca 0.02 -1.48 0.00 0.00 0.00 0.00 0.00 51.96 50.50 3pck s ALA 381 Cb -0.16 0.85 0.00 0.00 0.00 0.00 0.00 23.12 23.81 3pck s ALA 381 CO -0.03 -0.47 0.00 0.41 0.00 0.00 0.00 175.76 175.66 3pck n GLY 382 N -0.11 -1.28 3.29 0.00 0.00 -0.74 -0.53 105.19 105.82 3pck n GLY 382 Ca -0.05 -0.97 -0.24 0.00 0.00 0.00 0.00 46.02 44.75 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 -0.82 1.14 -0.21 1.61 3.52 -1.26 -1.12 118.95 121.80 3pck s ARG 383 Ca 0.00 -1.18 -0.04 0.00 -0.13 0.00 0.00 55.73 54.38 3pck s ARG 383 Cb 0.00 -1.41 -0.02 0.00 -1.56 0.00 0.00 34.95 31.97 3pck s ARG 383 CO 0.00 0.33 -0.03 0.08 -0.81 0.00 0.00 175.30 174.87 3pck s VAL 384 N -1.18 3.61 0.31 7.11 1.01 0.21 -1.20 120.40 130.27 3pck s VAL 384 Ca 0.07 -0.42 0.03 0.00 0.00 0.00 0.00 61.98 61.66 3pck s VAL 384 Cb -0.10 -2.64 -0.05 0.00 0.00 0.00 0.00 36.38 33.59 3pck s VAL 384 CO 0.04 0.42 0.08 0.68 0.00 0.00 0.00 175.10 176.33 3pck s VAL 385 N 1.26 0.86 0.47 2.92 -7.23 -0.44 -0.37 120.40 117.88 3pck s VAL 385 Ca 0.03 -2.00 0.08 0.00 -1.81 0.00 0.00 61.98 58.28 3pck s VAL 385 Cb -0.14 -2.69 0.02 0.00 0.56 0.00 0.00 36.38 34.13 3pck s VAL 385 CO -0.00 0.00 0.49 1.51 -0.31 0.00 0.00 175.10 176.79 3pck s ASP 386 N -3.43 5.06 0.63 4.85 -4.77 0.87 -0.04 116.67 119.85 3pck s ASP 386 Ca 0.36 -0.82 0.39 0.00 -3.30 0.00 0.00 52.55 49.18 3pck s ASP 386 Cb 0.08 -0.21 2.13 0.00 -1.09 0.00 0.00 42.92 43.83 3pck s ASP 386 CO 0.15 -0.90 2.20 1.56 0.70 0.00 0.00 175.17 178.88 3pck h GLN 387 N 0.75 0.00 -0.00 2.11 4.20 -1.26 0.14 115.11 121.04 3pck h GLN 387 Ca -0.38 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.33 3pck h GLN 387 Cb 1.28 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.06 3pck h GLN 387 CO 0.52 0.00 -0.11 0.66 -0.67 0.00 0.00 178.83 179.23 3pck n TYR 388 N -2.95 0.00 -0.42 2.96 4.01 -1.26 -4.89 117.16 114.62 3pck n TYR 388 Ca -0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.71 3pck n TYR 388 Cb 0.14 -0.31 0.00 0.00 -0.31 0.00 0.00 39.34 38.87 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 1.37 0.77 3.76 2.72 0.00 0.47 -5.05 105.19 109.25 3pck n GLY 389 Ca 0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.58 4.50 0.55 1.61 2.20 -1.25 -4.75 119.74 122.01 3pck s LYS 390 Ca 0.00 1.07 -0.19 0.00 -0.36 0.00 0.00 55.97 56.49 3pck s LYS 390 Cb 0.00 -3.31 -0.05 0.00 -1.51 0.00 0.00 37.83 32.95 3pck s LYS 390 CO 0.00 0.42 1.15 -2.14 -0.36 0.00 0.00 175.35 174.42 3pck s PRO 391 N -0.56 3.28 -0.42 4.03 0.02 -1.26 -0.09 135.00 140.00 3pck s PRO 391 Ca 0.37 1.66 0.01 0.00 0.02 0.00 0.00 61.00 63.06 3pck s PRO 391 Cb -0.21 -2.00 0.11 0.00 0.02 0.00 0.00 34.50 32.42 3pck s PRO 391 CO 0.24 -0.92 0.17 0.08 -0.33 0.00 0.00 177.00 176.24 3pck s VAL 392 N -1.73 2.78 0.59 3.83 1.01 0.50 -4.82 120.40 122.56 3pck s VAL 392 Ca 0.74 -2.49 -0.11 0.00 0.00 0.00 0.00 61.98 60.11 3pck s VAL 392 Cb -0.25 -2.95 -0.04 0.00 0.00 0.00 0.00 36.38 33.13 3pck s VAL 392 CO 0.28 -0.69 0.99 -2.84 0.00 0.00 0.00 175.10 172.85 3pck s PRO 393 N 0.67 3.63 -1.53 2.72 0.02 -1.26 -4.22 135.00 135.02 3pck s PRO 393 Ca 0.12 0.70 -0.05 0.00 0.02 0.00 0.00 61.00 61.79 3pck s PRO 393 Cb -0.21 -2.12 0.04 0.00 0.02 0.00 0.00 34.50 32.22 3pck s PRO 393 CO -0.05 -0.49 0.37 0.09 -0.33 0.00 0.00 177.00 176.59 3pck n ASN 394 N -2.56 -0.55 -4.71 2.53 4.13 -1.01 -4.92 115.26 108.16 3pck n ASN 394 Ca 0.05 -1.10 -0.31 0.00 1.68 0.00 0.00 54.58 54.90 3pck n ASN 394 Cb 0.54 -2.48 -0.08 0.00 -1.54 0.00 0.00 39.78 36.22 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 -3.93 4.20 -0.26 3.41 -1.32 -1.26 -4.56 115.64 111.92 3pck s THR 395 Ca 0.18 -0.85 -0.21 0.00 -1.21 0.00 0.00 61.69 59.60 3pck s THR 395 Cb -0.10 -2.98 -0.01 0.00 -1.51 0.00 0.00 72.50 67.89 3pck s THR 395 CO 0.94 0.17 0.68 -0.22 -2.21 0.00 0.00 174.62 173.97 3pck s LEU 396 N -2.19 4.07 -0.18 9.08 2.96 -1.26 -0.51 118.68 130.65 3pck s LEU 396 Ca 0.26 0.74 -0.02 0.00 -0.22 0.00 0.00 54.13 54.89 3pck s LEU 396 Cb -0.12 -2.92 -0.00 0.00 0.50 0.00 0.00 46.19 43.64 3pck s LEU 396 CO 0.18 -0.42 -0.11 -0.69 -1.32 0.00 0.00 176.35 173.99 3pck s VAL 397 N 2.60 2.96 0.07 1.68 1.01 -0.38 -1.47 120.40 126.88 3pck s VAL 397 Ca 0.28 -0.65 0.08 0.00 0.00 0.00 0.00 61.98 61.69 3pck s VAL 397 Cb -0.15 -2.30 -0.03 0.00 0.00 0.00 0.00 36.38 33.90 3pck s VAL 397 CO 0.09 0.48 -0.21 -1.61 0.00 0.00 0.00 175.10 173.85 3pck s GLU 398 N 1.09 1.30 0.06 2.72 2.02 -0.31 -0.62 118.70 124.96 3pck s GLU 398 Ca 0.00 -1.05 -0.06 0.00 0.02 0.00 0.00 54.97 53.89 3pck s GLU 398 Cb -0.15 -1.49 -0.01 0.00 0.10 0.00 0.00 34.13 32.58 3pck s GLU 398 CO -0.03 0.37 0.11 0.00 0.02 0.00 0.00 175.26 175.73 3pck s MET 399 N -1.49 0.68 -0.00 1.61 0.23 0.46 -0.99 119.30 119.80 3pck s MET 399 Ca 0.07 -0.89 -0.18 0.00 -1.03 0.00 0.00 55.69 53.66 3pck s MET 399 Cb -0.09 0.27 0.03 0.00 -1.53 0.00 0.00 34.83 33.51 3pck s MET 399 CO 0.03 -0.18 0.39 1.67 -2.03 0.00 0.00 175.02 174.90 3pck s TRP 400 N -3.22 -0.27 0.22 3.16 -2.14 -0.70 -1.30 118.94 114.69 3pck s TRP 400 Ca 0.00 0.38 -0.22 0.00 2.66 0.00 0.00 56.10 58.92 3pck s TRP 400 Cb 0.02 0.18 0.06 0.00 -3.10 0.00 0.00 33.47 30.63 3pck s TRP 400 CO -0.07 -0.48 0.92 1.14 -2.66 0.00 0.00 176.95 175.80 3pck s GLN 401 N -1.66 1.48 0.71 3.25 -2.07 -0.87 -0.26 119.66 120.24 3pck s GLN 401 Ca -0.11 -0.88 -0.03 0.00 -1.82 0.00 0.00 55.36 52.53 3pck s GLN 401 Cb -0.03 0.46 0.11 0.00 -1.09 0.00 0.00 33.01 32.46 3pck s GLN 401 CO 0.03 -0.68 0.99 0.00 -1.32 0.00 0.00 175.29 174.31 3pck s ALA 402 N -2.93 3.53 1.01 2.60 0.00 -1.26 -4.65 121.76 120.05 3pck s ALA 402 Ca 0.15 -1.51 -0.07 0.00 0.00 0.00 0.00 51.96 50.53 3pck s ALA 402 Cb -0.03 -2.17 0.10 0.00 0.00 0.00 0.00 23.12 21.02 3pck s ALA 402 CO 0.05 -1.42 0.56 0.27 0.00 0.00 0.00 175.76 175.22 3pck n ASN 403 N -2.85 -0.10 0.30 0.00 0.23 -0.10 -4.44 115.26 108.30 3pck n ASN 403 Ca 0.13 -1.17 0.17 0.00 -0.53 0.00 0.00 54.58 53.18 3pck n ASN 403 Cb 0.60 -0.43 0.95 0.00 -2.08 0.00 0.00 39.78 38.82 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 -1.95 1.34 -0.01 -2.53 0.00 -1.78 -0.93 119.26 113.40 3pck h ALA 404 Ca -0.18 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3pck h ALA 404 Cb 0.51 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.30 3pck h ALA 404 CO 0.13 0.03 -0.33 0.41 0.00 0.00 0.00 179.25 179.49 3pck n GLY 405 N -1.10 -0.46 1.29 0.00 0.00 -1.26 -3.14 105.19 100.52 3pck n GLY 405 Ca -0.03 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.53 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 1.36 0.61 3.76 -0.02 0.00 -0.53 -4.78 105.19 105.60 3pck n GLY 406 Ca 0.11 -0.71 -0.36 0.00 0.00 0.00 0.00 46.02 45.07 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 -1.36 3.85 -0.03 1.61 6.06 -1.26 -4.75 118.95 123.06 3pck s ARG 407 Ca 0.00 -0.22 -0.11 0.00 -2.50 0.00 0.00 55.73 52.90 3pck s ARG 407 Cb 0.00 -3.27 -0.05 0.00 0.06 0.00 0.00 34.95 31.69 3pck s ARG 407 CO 0.00 0.47 0.30 0.71 -2.50 0.00 0.00 175.30 174.28 3pck s TYR 408 N -0.15 3.65 -1.33 5.12 2.02 -1.26 -0.92 117.35 124.48 3pck s TYR 408 Ca 0.10 0.77 -0.12 0.00 -0.37 0.00 0.00 57.07 57.44 3pck s TYR 408 Cb -0.12 -2.12 0.12 0.00 -0.40 0.00 0.00 41.96 39.44 3pck s TYR 408 CO 0.01 0.66 1.92 -2.13 -1.57 0.00 0.00 175.55 174.44 3pck n ARG 409 N 1.70 3.29 -3.81 -0.62 0.63 -1.26 -4.76 116.66 111.83 3pck n ARG 409 Ca -0.15 -3.24 -0.13 0.00 -0.92 0.00 0.00 57.85 53.41 3pck n ARG 409 Cb 0.53 -3.12 -0.12 0.00 0.45 0.00 0.00 32.46 30.20 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 1.88 -0.20 0.14 -0.14 2.46 -1.26 -5.07 115.29 113.10 3pck s HIS 410 Ca 0.44 0.48 -0.28 0.00 0.47 0.00 0.00 55.06 56.17 3pck s HIS 410 Cb 0.09 0.06 -0.07 0.00 -0.13 0.00 0.00 32.58 32.53 3pck s HIS 410 CO -0.02 -0.10 1.49 0.87 -2.47 0.00 0.00 174.74 174.51 3pck h LYS 411 N 5.98 -0.06 0.00 2.88 1.57 -2.07 0.67 116.57 125.54 3pck h LYS 411 Ca -0.27 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.52 3pck h LYS 411 Cb 1.19 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.52 3pck h LYS 411 CO 0.40 -0.04 0.00 0.09 -0.57 0.00 0.00 179.45 179.33 3pck n ASN 412 N -5.06 0.00 -4.58 0.86 5.03 -1.26 -4.59 115.26 105.67 3pck n ASN 412 Ca 0.01 0.33 -0.42 0.00 0.87 0.00 0.00 54.58 55.37 3pck n ASN 412 Cb 0.25 -0.36 -0.06 0.00 -1.02 0.00 0.00 39.78 38.59 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 -2.72 6.48 0.00 6.41 2.15 0.23 -4.89 116.67 124.33 3pck s ASP 413 Ca 0.02 0.24 0.10 0.00 0.43 0.00 0.00 52.55 53.35 3pck s ASP 413 Cb 0.02 -2.35 0.27 0.00 -0.30 0.00 0.00 42.92 40.56 3pck s ASP 413 CO 0.05 -0.63 1.19 0.54 -0.17 0.00 0.00 175.17 176.15 3pck n ARG 414 N 6.15 2.55 -1.91 4.34 5.12 -1.26 -4.90 116.66 126.75 3pck n ARG 414 Ca 0.00 -1.92 -0.40 0.00 -1.93 0.00 0.00 57.85 53.61 3pck n ARG 414 Cb 0.48 -1.26 0.01 0.00 -1.16 0.00 0.00 32.46 30.53 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 -0.99 2.64 0.05 -1.55 5.04 -1.26 -4.89 117.35 116.40 3pck s TYR 415 Ca 0.21 1.32 0.33 0.00 -2.44 0.00 0.00 57.07 56.49 3pck s TYR 415 Cb 0.11 -3.82 1.47 0.00 0.35 0.00 0.00 41.96 40.07 3pck s TYR 415 CO 0.15 -2.56 1.97 1.37 -1.34 0.00 0.00 175.55 175.14 3pck h LEU 416 N 2.57 0.00 -9.80 6.97 -0.00 -1.98 -3.44 115.31 109.64 3pck h LEU 416 Ca -0.50 0.00 -0.53 0.00 -0.00 0.00 0.00 57.88 56.85 3pck h LEU 416 Cb 1.25 0.00 0.07 0.00 -0.00 0.00 0.00 40.66 41.98 3pck h LEU 416 CO 0.62 0.00 0.78 0.00 -0.00 0.00 0.00 178.44 179.84 3pck s ALA 417 N -3.67 3.64 0.78 0.17 0.00 -1.26 -4.94 121.76 116.47 3pck s ALA 417 Ca 0.00 1.41 -0.11 0.00 0.00 0.00 0.00 51.96 53.26 3pck s ALA 417 Cb 0.10 -3.58 0.06 0.00 0.00 0.00 0.00 23.12 19.70 3pck s ALA 417 CO 0.46 -0.82 1.08 -1.25 0.00 0.00 0.00 175.76 175.23 3pck s PRO 418 N -0.75 2.24 0.58 0.00 0.04 -1.26 -4.78 135.00 131.07 3pck s PRO 418 Ca 0.58 1.02 -0.12 0.00 0.04 0.00 0.00 61.00 62.53 3pck s PRO 418 Cb -0.44 -1.91 -0.05 0.00 0.04 0.00 0.00 34.50 32.15 3pck s PRO 418 CO 0.48 -1.61 0.99 -0.51 0.04 0.00 0.00 177.00 176.39 3pck s LEU 419 N -5.87 3.37 -0.30 -3.56 1.43 -1.26 -4.72 118.68 107.76 3pck s LEU 419 Ca 0.61 1.41 -0.06 0.00 -1.03 0.00 0.00 54.13 55.06 3pck s LEU 419 Cb -0.16 -4.42 0.02 0.00 0.03 0.00 0.00 46.19 41.65 3pck s LEU 419 CO 0.56 -0.77 0.06 -0.62 0.23 0.00 0.00 176.35 175.81 3pck s ASP 420 N -3.89 5.06 0.53 2.29 -1.08 -1.26 -4.99 116.67 113.32 3pck s ASP 420 Ca 0.55 -0.86 0.34 0.00 -0.52 0.00 0.00 52.55 52.06 3pck s ASP 420 Cb -0.11 -1.84 1.51 0.00 -1.46 0.00 0.00 42.92 41.02 3pck s ASP 420 CO 0.48 -0.22 1.83 1.55 0.52 0.00 0.00 175.17 179.32 3pck h PRO 421 N 8.19 0.02 -0.51 4.34 0.13 -1.96 0.30 132.00 142.52 3pck h PRO 421 Ca -0.29 -0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.83 3pck h PRO 421 Cb 1.11 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.23 3pck h PRO 421 CO 0.60 0.02 0.01 0.09 -0.23 0.00 0.00 178.00 178.48 3pck n ASN 422 N -4.23 5.26 -3.86 1.44 4.13 -1.26 -4.95 115.26 111.79 3pck n ASN 422 Ca 0.24 -2.98 -0.20 0.00 1.68 0.00 0.00 54.58 53.32 3pck n ASN 422 Cb 1.15 -0.66 -0.16 0.00 -1.54 0.00 0.00 39.78 38.57 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 -2.81 0.66 -0.24 3.10 5.36 0.09 -4.14 117.98 120.02 3pck s PHE 423 Ca 0.52 -0.17 -0.16 0.00 -0.96 0.00 0.00 56.93 56.16 3pck s PHE 423 Cb 0.40 -0.64 -0.10 0.00 -0.34 0.00 0.00 43.02 42.34 3pck s PHE 423 CO 0.14 -0.20 -0.33 0.41 -1.46 0.00 0.00 175.22 173.78 3pck n GLY 424 N 4.22 -0.51 0.44 13.12 0.00 -1.26 -4.67 105.19 116.53 3pck n GLY 424 Ca -0.23 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.60 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 1.33 1.03 3.18 -0.02 0.00 -1.26 -4.48 105.19 104.97 3pck n GLY 425 Ca -0.40 -0.23 -0.29 0.00 0.00 0.00 0.00 46.02 45.10 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 1.78 0.04 1.61 1.01 -1.26 -2.05 120.40 119.52 3pck s VAL 426 Ca 0.00 -0.88 -0.08 0.00 0.00 0.00 0.00 61.98 61.02 3pck s VAL 426 Cb 0.00 -1.53 -0.00 0.00 0.00 0.00 0.00 36.38 34.85 3pck s VAL 426 CO 0.00 0.50 0.15 -0.83 0.00 0.00 0.00 175.10 174.92 3pck s GLY 427 N 0.19 0.10 0.00 4.51 0.00 -0.42 -4.80 107.32 106.91 3pck s GLY 427 Ca -0.11 -0.40 -0.09 0.00 0.00 0.00 0.00 44.72 44.12 3pck s GLY 427 CO 0.05 -0.56 0.17 1.09 0.00 0.00 0.00 173.10 173.85 3pck s ARG 428 N -2.57 0.52 -0.27 2.90 1.70 -1.03 -0.40 118.95 119.79 3pck s ARG 428 Ca -0.05 -0.37 -0.23 0.00 -0.47 0.00 0.00 55.73 54.61 3pck s ARG 428 Cb -0.01 0.22 0.07 0.00 -0.57 0.00 0.00 34.95 34.66 3pck s ARG 428 CO -0.04 -0.13 0.72 0.00 -1.08 0.00 0.00 175.30 174.77 3pck s LEU 430 N 0.64 4.31 0.83 0.00 2.96 -1.26 -1.25 118.68 124.92 3pck s LEU 430 Ca -0.02 0.82 -0.12 0.00 -0.22 0.00 0.00 54.13 54.59 3pck s LEU 430 Cb -0.05 -2.65 0.10 0.00 0.50 0.00 0.00 46.19 44.09 3pck s LEU 430 CO -0.03 0.07 1.17 0.42 -1.32 0.00 0.00 176.35 176.66 3pck s THR 431 N 0.28 2.20 0.66 3.68 -4.23 0.33 -4.83 115.64 113.72 3pck s THR 431 Ca 0.25 0.08 -0.03 0.00 -1.18 0.00 0.00 61.69 60.81 3pck s THR 431 Cb -0.15 -2.36 0.14 0.00 1.34 0.00 0.00 72.50 71.46 3pck s THR 431 CO 0.10 -0.07 0.90 -0.90 -0.54 0.00 0.00 174.62 174.11 3pck n ASP 432 N -3.60 0.96 0.31 3.99 5.68 0.16 -2.42 116.55 121.63 3pck n ASP 432 Ca 0.12 -1.87 0.19 0.00 -0.50 0.00 0.00 54.79 52.74 3pck n ASP 432 Cb 0.51 -0.61 1.02 0.00 -1.14 0.00 0.00 41.12 40.90 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 -0.69 0.00 -0.21 -1.12 0.02 -1.94 0.17 113.55 109.78 3pck h SER 433 Ca -0.30 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.65 3pck h SER 433 Cb 1.04 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.58 3pck h SER 433 CO 0.29 0.00 0.00 0.47 -1.14 0.00 0.00 176.83 176.45 3pck n ASP 434 N -2.88 3.23 0.00 3.07 8.00 -1.26 -4.69 116.55 122.02 3pck n ASP 434 Ca -0.02 -1.99 0.00 0.00 0.71 0.00 0.00 54.79 53.48 3pck n ASP 434 Cb 0.14 -0.13 0.00 0.00 -0.02 0.00 0.00 41.12 41.11 3pck n ASP 434 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3pck n GLY 435 N 1.42 0.53 3.87 0.44 0.00 0.60 -4.69 105.19 107.35 3pck n GLY 435 Ca 0.17 -0.51 -0.33 0.00 0.00 0.00 0.00 46.02 45.35 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 3.52 0.06 1.61 2.02 -1.26 0.66 117.35 121.95 3pck s TYR 436 Ca 0.00 0.82 -0.01 0.00 -0.37 0.00 0.00 57.07 57.52 3pck s TYR 436 Cb 0.00 -2.20 -0.04 0.00 -0.40 0.00 0.00 41.96 39.32 3pck s TYR 436 CO 0.00 0.41 -0.03 1.52 -1.57 0.00 0.00 175.55 175.87 3pck s TYR 437 N -1.59 0.56 -0.11 2.71 1.13 -0.28 -0.66 117.35 119.10 3pck s TYR 437 Ca 0.40 -1.06 -0.30 0.00 -1.41 0.00 0.00 57.07 54.71 3pck s TYR 437 Cb -0.13 -0.40 0.08 0.00 -1.10 0.00 0.00 41.96 40.41 3pck s TYR 437 CO 0.20 -0.36 0.76 -1.54 -2.51 0.00 0.00 175.55 172.10 3pck s SER 438 N -2.93 -0.61 0.07 -0.18 1.04 -1.26 -1.78 113.70 108.03 3pck s SER 438 Ca 0.08 0.79 0.01 0.00 0.48 0.00 0.00 55.95 57.31 3pck s SER 438 Cb 0.08 0.66 -0.03 0.00 0.10 0.00 0.00 66.02 66.82 3pck s SER 438 CO -0.09 -0.49 -0.06 -0.36 0.98 0.00 0.00 173.24 173.22 3pck s PHE 439 N -0.87 0.72 -0.09 5.02 0.08 0.20 -4.87 117.98 118.17 3pck s PHE 439 Ca -0.07 -0.75 0.01 0.00 0.12 0.00 0.00 56.93 56.23 3pck s PHE 439 Cb -0.01 -0.43 0.02 0.00 -0.57 0.00 0.00 43.02 42.02 3pck s PHE 439 CO 0.06 -0.16 -0.11 0.50 -0.10 0.00 0.00 175.22 175.42 3pck s ARG 440 N -2.85 1.70 0.00 0.44 3.52 -0.72 -0.46 118.95 120.57 3pck s ARG 440 Ca 0.01 -0.36 0.00 0.00 -0.13 0.00 0.00 55.73 55.25 3pck s ARG 440 Cb -0.01 -1.55 0.00 0.00 -1.56 0.00 0.00 34.95 31.82 3pck s ARG 440 CO -0.03 -0.12 0.00 -2.37 -0.81 0.00 0.00 175.30 171.97 3pck n THR 441 N 4.37 0.00 -4.36 4.11 5.66 0.37 -0.41 114.28 124.01 3pck n THR 441 Ca -0.18 0.00 -0.28 0.00 -3.05 0.00 0.00 64.05 60.54 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 -2.50 2.11 0.04 1.09 -4.36 -1.26 -0.92 121.20 115.41 3pck s ILE 442 Ca 0.00 -1.70 -0.31 0.00 -0.26 0.00 0.00 60.65 58.38 3pck s ILE 442 Cb 0.00 -1.88 -0.07 0.00 1.25 0.00 0.00 42.46 41.76 3pck s ILE 442 CO 0.00 0.05 1.45 -0.75 0.24 0.00 0.00 174.94 175.93 3pck s LYS 443 N -2.02 4.27 0.65 0.37 2.20 -0.47 -4.91 119.74 119.83 3pck s LYS 443 Ca 0.12 2.07 -0.14 0.00 -0.36 0.00 0.00 55.97 57.65 3pck s LYS 443 Cb -0.10 -3.50 -0.01 0.00 -1.51 0.00 0.00 37.83 32.71 3pck s LYS 443 CO 0.06 -0.57 1.08 -1.25 -0.36 0.00 0.00 175.35 174.30 3pck s PRO 444 N 2.13 2.96 0.36 4.03 0.04 -1.26 -4.23 135.00 139.02 3pck s PRO 444 Ca 0.66 1.26 0.03 0.00 0.04 0.00 0.00 61.00 62.98 3pck s PRO 444 Cb -0.34 -1.98 -0.02 0.00 0.04 0.00 0.00 34.50 32.20 3pck s PRO 444 CO 0.29 -1.11 0.54 0.20 0.04 0.00 0.00 177.00 176.95 3pck s GLY 445 N -2.86 1.46 0.89 0.56 0.00 -0.47 -4.67 107.32 102.24 3pck s GLY 445 Ca 0.64 -1.15 -0.10 0.00 0.00 0.00 0.00 44.72 44.11 3pck s GLY 445 CO 0.43 -1.06 1.14 -4.14 0.00 0.00 0.00 173.10 169.46 3pck s PRO 446 N -4.30 1.20 -0.02 2.90 0.02 -1.26 -4.16 135.00 129.37 3pck s PRO 446 Ca 0.43 1.47 0.00 0.00 0.02 0.00 0.00 61.00 62.93 3pck s PRO 446 Cb -0.10 -1.75 0.02 0.00 0.02 0.00 0.00 34.50 32.69 3pck s PRO 446 CO 0.34 -2.48 0.00 -0.47 -0.33 0.00 0.00 177.00 174.07 3pck s TYR 447 N -2.69 0.24 0.33 6.54 5.04 -0.98 -4.29 117.35 121.54 3pck s TYR 447 Ca 0.66 0.02 -0.26 0.00 -2.44 0.00 0.00 57.07 55.05 3pck s TYR 447 Cb -0.22 -0.34 -0.10 0.00 0.35 0.00 0.00 41.96 41.66 3pck s TYR 447 CO 0.58 -0.10 0.95 -1.25 -1.34 0.00 0.00 175.55 174.38 3pck s PRO 448 N 0.88 4.54 0.06 4.97 0.04 -1.26 0.14 135.00 144.36 3pck s PRO 448 Ca -0.09 1.33 -0.07 0.00 0.04 0.00 0.00 61.00 62.21 3pck s PRO 448 Cb -0.12 -2.74 -0.01 0.00 0.04 0.00 0.00 34.50 31.67 3pck s PRO 448 CO -0.02 0.23 0.13 1.67 0.04 0.00 0.00 177.00 179.06 3pck s TRP 449 N -1.66 0.19 -1.21 0.56 1.48 -0.88 -4.89 118.94 112.53 3pck s TRP 449 Ca 0.51 -0.53 -0.19 0.00 -1.06 0.00 0.00 56.10 54.83 3pck s TRP 449 Cb -0.18 -0.12 0.07 0.00 -1.16 0.00 0.00 33.47 32.08 3pck s TRP 449 CO 0.23 -0.44 1.63 1.03 -4.06 0.00 0.00 176.95 175.34 3pck s ARG 450 N -3.13 3.88 0.00 3.25 0.52 -1.26 -4.38 118.95 117.83 3pck s ARG 450 Ca -0.01 -1.80 0.00 0.00 -0.52 0.00 0.00 55.73 53.41 3pck s ARG 450 Cb 0.02 -5.45 0.00 0.00 0.52 0.00 0.00 34.95 30.04 3pck s ARG 450 CO -0.07 -2.20 0.00 -1.71 0.02 0.00 0.00 175.30 171.34 3pck n ASN 451 N 8.31 0.00 -4.15 0.23 5.15 -1.26 -5.04 115.26 118.49 3pck n ASN 451 Ca 0.43 0.00 -0.30 0.00 -0.60 0.00 0.00 54.58 54.12 3pck n ASN 451 Cb 0.47 0.00 0.19 0.00 -0.53 0.00 0.00 39.78 39.91 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 -0.24 1.73 0.55 8.20 0.00 -1.26 -4.95 107.32 111.34 3pck s GLY 452 Ca 0.00 -1.10 0.33 0.00 0.00 0.00 0.00 44.72 43.95 3pck s GLY 452 CO 0.00 -0.34 2.04 -2.55 0.00 0.00 0.00 173.10 172.25 3pck h PRO 453 N -1.75 0.00 -1.44 2.90 0.11 -1.98 -3.35 132.00 126.49 3pck h PRO 453 Ca -0.45 0.00 -0.41 0.00 0.11 0.00 0.00 66.00 65.25 3pck h PRO 453 Cb 1.25 0.00 -0.35 0.00 0.11 0.00 0.00 31.00 32.01 3pck h PRO 453 CO 0.40 0.06 -1.06 -1.71 -0.21 0.00 0.00 178.00 175.49 3pck n ASN 454 N -3.25 0.38 -4.75 -2.05 5.15 -1.26 -5.09 115.26 104.40 3pck n ASN 454 Ca -0.01 -3.03 -0.37 0.00 -0.60 0.00 0.00 54.58 50.57 3pck n ASN 454 Cb 0.28 -0.17 -0.06 0.00 -0.53 0.00 0.00 39.78 39.29 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 -2.35 6.64 -0.07 1.20 1.01 -1.26 -5.06 116.67 116.78 3pck s ASP 455 Ca 0.34 0.75 0.02 0.00 0.71 0.00 0.00 52.55 54.37 3pck s ASP 455 Cb 0.37 -2.25 0.02 0.00 1.01 0.00 0.00 42.92 42.06 3pck s ASP 455 CO -0.05 0.10 -0.10 0.26 0.21 0.00 0.00 175.17 175.58 3pck s TRP 456 N 0.22 1.36 0.24 4.23 0.52 -1.26 -2.06 118.94 122.18 3pck s TRP 456 Ca 0.23 -0.52 -0.30 0.00 0.02 0.00 0.00 56.10 55.53 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 0.09 -0.30 1.07 1.03 0.02 0.00 0.00 176.95 178.86 3pck s ARG 457 N 0.85 4.67 0.80 4.98 1.81 0.37 -4.81 118.95 127.62 3pck s ARG 457 Ca -0.11 1.72 -0.13 0.00 -1.72 0.00 0.00 55.73 55.49 3pck s ARG 457 Cb -0.15 -3.23 0.08 0.00 -0.45 0.00 0.00 34.95 31.20 3pck s ARG 457 CO 0.01 0.22 1.19 -2.14 -0.68 0.00 0.00 175.30 173.91 3pck s PRO 458 N -1.06 1.71 0.21 3.54 0.02 -1.26 -2.32 135.00 135.83 3pck s PRO 458 Ca 0.45 1.68 -0.32 0.00 0.02 0.00 0.00 61.00 62.83 3pck s PRO 458 Cb -0.30 -1.79 -0.13 0.00 0.02 0.00 0.00 34.50 32.30 3pck s PRO 458 CO 0.38 -2.14 1.65 0.00 -0.33 0.00 0.00 177.00 176.55 3pck n ALA 459 N -3.32 2.32 -3.18 -1.55 0.00 -1.26 -4.68 120.51 108.84 3pck n ALA 459 Ca 0.13 0.41 -0.12 0.00 0.00 0.00 0.00 53.44 53.86 3pck n ALA 459 Cb 0.51 -2.46 -0.05 0.00 0.00 0.00 0.00 19.45 17.45 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 -0.32 -0.13 0.00 -3.43 -1.26 -4.18 115.29 106.85 3pck s HIS 460 Ca 0.74 0.20 0.01 0.00 -0.80 0.00 0.00 55.06 55.21 3pck s HIS 460 Cb -0.56 0.30 -0.01 0.00 -1.43 0.00 0.00 32.58 30.89 3pck s HIS 460 CO 0.37 -0.66 -0.16 0.42 -2.00 0.00 0.00 174.74 172.70 3pck s ILE 461 N -3.03 2.67 0.10 -5.38 1.01 -0.27 -4.63 121.20 111.68 3pck s ILE 461 Ca -0.02 -0.79 -0.28 0.00 0.00 0.00 0.00 60.65 59.56 3pck s ILE 461 Cb 0.00 -2.10 -0.06 0.00 0.01 0.00 0.00 42.46 40.31 3pck s ILE 461 CO -0.06 0.53 0.89 -1.00 0.00 0.00 0.00 174.94 175.29 3pck s HIS 462 N 0.53 3.81 0.05 3.97 3.76 0.64 -0.35 115.29 127.70 3pck s HIS 462 Ca -0.11 1.70 0.06 0.00 -0.15 0.00 0.00 55.06 56.57 3pck s HIS 462 Cb -0.16 -2.96 -0.03 0.00 1.11 0.00 0.00 32.58 30.54 3pck s HIS 462 CO 0.04 0.26 -0.18 -0.06 -0.85 0.00 0.00 174.74 173.95 3pck s PHE 463 N -0.17 1.57 -0.03 1.40 0.40 0.10 -1.72 117.98 119.53 3pck s PHE 463 Ca 0.43 -0.37 0.02 0.00 -0.60 0.00 0.00 56.93 56.41 3pck s PHE 463 Cb -0.23 -0.93 0.01 0.00 0.51 0.00 0.00 43.02 42.38 3pck s PHE 463 CO 0.28 0.08 -0.10 0.20 0.70 0.00 0.00 175.22 176.38 3pck s GLY 464 N -1.27 0.59 -0.05 4.36 0.00 -0.16 -0.43 107.32 110.36 3pck s GLY 464 Ca 0.05 -0.34 -0.01 0.00 0.00 0.00 0.00 44.72 44.41 3pck s GLY 464 CO 0.02 -0.02 0.02 -0.42 0.00 0.00 0.00 173.10 172.70 3pck s ILE 465 N 0.32 0.17 -0.00 0.90 1.09 0.12 -1.16 121.20 122.64 3pck s ILE 465 Ca -0.06 0.22 -0.24 0.00 -1.10 0.00 0.00 60.65 59.47 3pck s ILE 465 Cb -0.10 -0.35 -0.16 0.00 -1.06 0.00 0.00 42.46 40.78 3pck s ILE 465 CO 0.01 0.21 1.13 0.77 -0.10 0.00 0.00 174.94 176.97 3pck h SER 466 N 8.16 -0.34 -3.58 3.58 4.64 -1.54 -1.76 113.55 122.72 3pck h SER 466 Ca -0.21 -0.19 0.06 0.00 -0.47 0.00 0.00 61.79 60.97 3pck h SER 466 Cb 1.12 0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 63.29 3pck h SER 466 CO 0.26 0.06 -0.08 0.61 -0.87 0.00 0.00 176.83 176.82 3pck n GLY 467 N -0.12 -2.02 0.02 -0.77 0.00 -1.26 -2.71 105.19 98.32 3pck n GLY 467 Ca -0.09 -1.39 0.10 0.00 0.00 0.00 0.00 46.02 44.64 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 -1.28 0.03 -3.81 1.61 -0.04 -1.26 -4.87 135.00 125.38 3pck n PRO 468 Ca 0.00 0.17 -0.08 0.00 -0.04 0.00 0.00 63.50 63.55 3pck n PRO 468 Cb 0.10 -1.55 -0.03 0.00 -0.04 0.00 0.00 33.50 31.98 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 -3.19 -0.27 0.56 3.54 1.04 -1.26 -3.75 113.70 110.36 3pck s SER 469 Ca 0.10 -0.57 0.35 0.00 0.48 0.00 0.00 55.95 56.31 3pck s SER 469 Cb 0.13 0.68 1.53 0.00 0.10 0.00 0.00 66.02 68.46 3pck s SER 469 CO 0.39 -1.25 2.05 0.16 0.98 0.00 0.00 173.24 175.57 3pck h ILE 470 N 2.05 0.07 0.00 -1.02 3.07 -1.30 -1.47 117.51 118.92 3pck h ILE 470 Ca -0.23 -0.47 -0.11 0.00 1.55 0.00 0.00 64.86 65.60 3pck h ILE 470 Cb 1.26 1.43 -0.02 0.00 -0.27 0.00 0.00 36.82 39.22 3pck h ILE 470 CO 0.28 0.02 -0.54 0.00 -1.05 0.00 0.00 178.15 176.86 3pck h ALA 471 N 1.98 0.97 0.00 0.16 0.00 -1.78 -3.23 119.26 117.35 3pck h ALA 471 Ca -0.00 -0.49 -0.02 0.00 0.00 0.00 0.00 54.91 54.40 3pck h ALA 471 Cb 0.43 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 3pck h ALA 471 CO 0.00 0.68 -1.00 1.79 0.00 0.00 0.00 179.25 180.71 3pck h THR 472 N 0.00 0.06 -2.25 0.00 1.35 -1.52 -3.47 112.91 107.07 3pck h THR 472 Ca -0.01 -1.12 -0.62 0.00 -0.55 0.00 0.00 66.41 64.12 3pck h THR 472 Cb 1.04 1.58 0.09 0.00 -1.73 0.00 0.00 68.15 69.13 3pck h THR 472 CO 0.07 0.03 0.32 1.17 -0.25 0.00 0.00 175.52 176.86 3pck n LYS 473 N -2.72 1.42 -3.72 4.72 3.00 -1.10 -4.71 118.16 115.05 3pck n LYS 473 Ca -0.01 0.50 -0.14 0.00 -0.00 0.00 0.00 58.31 58.67 3pck n LYS 473 Cb 0.58 -2.01 -0.08 0.00 0.00 0.00 0.00 35.03 33.52 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 0.46 0.62 -0.06 3.14 2.96 -0.66 -5.02 118.68 120.12 3pck s LEU 474 Ca 0.68 0.16 0.03 0.00 -0.22 0.00 0.00 54.13 54.78 3pck s LEU 474 Cb -0.77 1.47 0.01 0.00 0.50 0.00 0.00 46.19 47.40 3pck s LEU 474 CO 0.54 -0.49 -0.14 -0.63 -1.32 0.00 0.00 176.35 174.31 3pck s ILE 475 N -1.41 1.25 0.17 6.68 1.01 -1.26 -0.70 121.20 126.94 3pck s ILE 475 Ca -0.13 -0.57 -0.01 0.00 0.00 0.00 0.00 60.65 59.95 3pck s ILE 475 Cb -0.04 -1.11 0.00 0.00 0.01 0.00 0.00 42.46 41.32 3pck s ILE 475 CO 0.04 0.37 0.23 1.07 0.00 0.00 0.00 174.94 176.66 3pck n THR 476 N 3.55 0.00 -4.27 2.92 5.66 0.43 -5.00 114.28 117.57 3pck n THR 476 Ca -0.21 -0.86 -0.18 0.00 -3.05 0.00 0.00 64.05 59.76 3pck n THR 476 Cb 0.52 0.52 -0.13 0.00 -1.55 0.00 0.00 70.33 69.69 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 -2.39 0.73 -0.13 1.09 -0.21 -1.26 -0.73 119.66 116.76 3pck s GLN 477 Ca 0.14 -0.58 -0.07 0.00 0.02 0.00 0.00 55.36 54.86 3pck s GLN 477 Cb -0.00 -0.68 -0.04 0.00 1.00 0.00 0.00 33.01 33.29 3pck s GLN 477 CO 0.10 0.17 0.14 -1.17 -2.12 0.00 0.00 175.29 172.41 3pck s LEU 478 N -0.89 4.35 0.31 2.90 0.20 0.53 -4.83 118.68 121.25 3pck s LEU 478 Ca -0.00 0.43 0.10 0.00 0.69 0.00 0.00 54.13 55.34 3pck s LEU 478 Cb -0.07 -2.07 -0.06 0.00 -0.43 0.00 0.00 46.19 43.57 3pck s LEU 478 CO 0.01 0.37 -0.14 -0.31 -0.29 0.00 0.00 176.35 175.99 3pck s TYR 479 N -0.80 2.30 -0.16 5.38 2.02 -0.14 -1.11 117.35 124.83 3pck s TYR 479 Ca 0.14 -0.45 -0.08 0.00 -0.37 0.00 0.00 57.07 56.31 3pck s TYR 479 Cb -0.12 -1.18 -0.04 0.00 -0.40 0.00 0.00 41.96 40.22 3pck s TYR 479 CO 0.03 0.61 0.11 -0.06 -1.57 0.00 0.00 175.55 174.67 3pck s PHE 480 N -2.61 3.44 0.10 2.71 0.40 -1.26 -0.28 117.98 120.48 3pck s PHE 480 Ca 0.31 0.36 -0.36 0.00 -0.60 0.00 0.00 56.93 56.63 3pck s PHE 480 Cb -0.01 -2.04 -0.16 0.00 0.51 0.00 0.00 43.02 41.32 3pck s PHE 480 CO 0.15 0.45 1.38 -1.91 0.70 0.00 0.00 175.22 175.99 3pck n GLU 481 N 2.84 1.32 -0.66 0.44 2.13 -0.47 -1.73 120.64 124.52 3pck n GLU 481 Ca -0.18 0.48 0.00 0.00 0.66 0.00 0.00 57.16 58.12 3pck n GLU 481 Cb 0.53 -2.14 0.00 0.00 0.27 0.00 0.00 31.44 30.11 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 2.65 1.38 3.62 8.31 0.00 -1.26 -4.99 105.19 114.90 3pck n GLY 482 Ca 0.18 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.76 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 3.50 0.29 1.61 -0.08 -0.70 -4.87 116.55 116.30 3pck n ASP 483 Ca 0.00 0.52 0.19 0.00 -1.51 0.00 0.00 54.79 54.00 3pck n ASP 483 Cb 0.00 -1.51 0.97 0.00 2.34 0.00 0.00 41.12 42.93 3pck n ASP 483 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3pck h PRO 484 N 12.83 0.00 0.00 -0.67 0.13 -1.95 -2.43 132.00 139.92 3pck h PRO 484 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 3pck h PRO 484 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 3pck h PRO 484 CO 0.96 0.00 0.00 -0.07 -0.23 0.00 0.00 178.00 178.66 3pck h LEU 485 N 0.00 0.00 0.16 1.56 3.38 -1.95 -3.34 115.31 115.11 3pck h LEU 485 Ca 0.00 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.98 3pck h LEU 485 Cb 0.15 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.86 3pck h LEU 485 CO 0.00 0.00 -0.46 0.40 0.09 0.00 0.00 178.44 178.47 3pck h ILE 486 N 0.00 0.10 0.00 1.22 2.04 -1.82 -2.50 117.51 116.56 3pck h ILE 486 Ca 0.00 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.86 3pck h ILE 486 Cb 0.58 0.10 -0.00 0.00 -0.74 0.00 0.00 36.82 36.76 3pck h ILE 486 CO 0.00 0.00 -0.00 1.55 0.00 0.00 0.00 178.15 179.70 3pck h PRO 487 N -0.72 0.00 -0.02 2.37 0.13 -1.81 -2.72 132.00 129.24 3pck h PRO 487 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 3pck h PRO 487 Cb 0.72 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.85 3pck h PRO 487 CO -0.24 0.00 -0.28 -1.33 -0.23 0.00 0.00 178.00 175.92 3pck n MET 488 N -3.08 1.34 -2.99 0.86 2.81 -0.96 -4.93 117.12 110.17 3pck n MET 488 Ca -0.03 -1.00 -0.40 0.00 -1.81 0.00 0.00 57.70 54.46 3pck n MET 488 Cb 0.08 -1.48 -0.04 0.00 -0.71 0.00 0.00 33.22 31.06 3pck n MET 488 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3pck h PRO 490 N 6.95 0.07 -0.37 0.00 0.11 -1.90 0.49 132.00 137.35 3pck h PRO 490 Ca -0.38 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 65.66 3pck h PRO 490 Cb 1.18 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 3pck h PRO 490 CO 0.77 0.34 0.01 0.82 -0.21 0.00 0.00 178.00 179.72 3pck h ILE 491 N 0.06 1.26 -0.47 4.15 2.04 -1.92 -1.80 117.51 120.83 3pck h ILE 491 Ca 0.01 -0.97 -0.02 0.00 1.00 0.00 0.00 64.86 64.88 3pck h ILE 491 Cb 0.51 1.17 -0.02 0.00 -0.74 0.00 0.00 36.82 37.74 3pck h ILE 491 CO 0.04 0.32 0.23 0.58 0.00 0.00 0.00 178.15 179.32 3pck h VAL 492 N 0.46 1.19 0.00 1.67 2.07 -1.76 -2.41 116.25 117.47 3pck h VAL 492 Ca 0.10 -0.53 0.00 0.00 0.82 0.00 0.00 66.70 67.09 3pck h VAL 492 Cb 0.45 0.67 0.00 0.00 -1.52 0.00 0.00 31.29 30.89 3pck h VAL 492 CO 0.02 0.21 0.00 0.29 0.02 0.00 0.00 177.57 178.10 3pck n LYS 493 N -4.63 0.21 0.27 1.57 5.02 0.12 -2.22 118.16 118.50 3pck n LYS 493 Ca 0.01 0.14 0.18 0.00 -2.02 0.00 0.00 58.31 56.63 3pck n LYS 493 Cb 0.12 -1.50 0.94 0.00 -0.02 0.00 0.00 35.03 34.57 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 -3.59 4.39 4.64 -0.79 -3.38 113.55 114.82 3pck h SER 494 Ca 0.00 0.00 -0.66 0.00 -0.47 0.00 0.00 61.79 60.66 3pck h SER 494 Cb 0.15 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 62.08 3pck h SER 494 CO 0.00 0.00 -0.05 -0.63 -0.87 0.00 0.00 176.83 175.28 3pck s ILE 495 N -3.87 5.00 0.22 0.95 1.01 -0.94 -3.51 121.20 120.05 3pck s ILE 495 Ca -0.03 0.15 -0.02 0.00 0.00 0.00 0.00 60.65 60.75 3pck s ILE 495 Cb 0.10 -4.02 0.02 0.00 0.01 0.00 0.00 42.46 38.57 3pck s ILE 495 CO 0.37 -0.33 1.61 0.00 0.00 0.00 0.00 174.94 176.60 3pck h ALA 496 N 8.59 0.88 -2.63 9.38 0.00 -1.84 -3.43 119.26 130.20 3pck h ALA 496 Ca -0.27 -0.40 -0.61 0.00 0.00 0.00 0.00 54.91 53.62 3pck h ALA 496 Cb 1.12 -0.13 -0.12 0.00 0.00 0.00 0.00 17.79 18.66 3pck h ALA 496 CO 0.80 0.63 -0.01 1.21 0.00 0.00 0.00 179.25 181.87 3pck s ASN 497 N -6.81 6.49 0.45 0.00 3.04 -1.26 -4.94 114.94 111.91 3pck s ASN 497 Ca -0.08 0.59 0.15 0.00 0.04 0.00 0.00 52.86 53.57 3pck s ASN 497 Cb 0.13 -2.29 1.09 0.00 -1.54 0.00 0.00 41.25 38.64 3pck s ASN 497 CO 0.83 -0.25 2.00 1.55 -3.04 0.00 0.00 177.10 178.19 3pck h PRO 498 N 7.78 0.31 -0.75 0.43 0.13 -2.00 -0.53 132.00 137.37 3pck h PRO 498 Ca -0.31 -0.02 -0.04 0.00 -0.87 0.00 0.00 66.00 64.77 3pck h PRO 498 Cb 1.14 -0.07 -0.03 0.00 0.13 0.00 0.00 31.00 32.17 3pck h PRO 498 CO 0.73 0.21 0.32 0.93 -0.23 0.00 0.00 178.00 179.95 3pck h GLU 499 N 0.32 1.09 -0.30 0.86 3.07 -1.97 -2.61 114.58 115.04 3pck h GLU 499 Ca 0.24 -0.18 -0.11 0.00 -0.50 0.00 0.00 59.36 58.81 3pck h GLU 499 Cb 0.52 -0.19 -0.01 0.00 -0.84 0.00 0.00 28.75 28.23 3pck h GLU 499 CO -0.06 0.87 -0.28 0.00 -1.40 0.00 0.00 179.01 178.14 3pck h ALA 500 N 1.27 0.95 -0.64 3.43 0.00 -1.46 -2.53 119.26 120.28 3pck h ALA 500 Ca 0.25 -0.38 0.01 0.00 0.00 0.00 0.00 54.91 54.80 3pck h ALA 500 Cb 0.17 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 3pck h ALA 500 CO -0.03 0.61 0.42 0.28 0.00 0.00 0.00 179.25 180.53 3pck h VAL 501 N 0.52 1.14 -0.75 0.00 2.07 -1.14 -2.25 116.25 115.84 3pck h VAL 501 Ca 0.07 -0.29 0.18 0.00 0.82 0.00 0.00 66.70 67.47 3pck h VAL 501 Cb 0.75 0.22 -0.04 0.00 -1.52 0.00 0.00 31.29 30.70 3pck h VAL 501 CO 0.06 0.15 0.51 1.56 0.02 0.00 0.00 177.57 179.88 3pck h GLN 502 N 0.84 0.26 0.00 1.57 1.08 -1.09 -0.14 115.11 117.62 3pck h GLN 502 Ca 0.24 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.43 3pck h GLN 502 Cb -0.06 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 27.31 3pck h GLN 502 CO -0.07 0.17 0.00 1.04 -0.95 0.00 0.00 178.83 179.02 3pck n GLN 503 N -4.43 0.11 0.00 1.46 6.02 -0.85 -2.59 117.38 117.10 3pck n GLN 503 Ca 0.15 0.39 0.12 0.00 -0.01 0.00 0.00 57.00 57.65 3pck n GLN 503 Cb 0.64 -1.73 0.15 0.00 1.02 0.00 0.00 30.24 30.32 3pck n GLN 503 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3pck n LEU 504 N -1.94 2.35 -4.53 1.08 4.77 -0.07 -4.89 117.00 113.77 3pck n LEU 504 Ca 0.02 -0.80 -0.41 0.00 -0.03 0.00 0.00 56.01 54.79 3pck n LEU 504 Cb 0.18 -0.01 -0.09 0.00 -2.33 0.00 0.00 43.42 41.17 3pck n LEU 504 CO 0.15 0.40 0.08 -0.63 -1.33 0.00 0.00 177.39 176.07 3pck s ILE 505 N -2.18 5.12 0.20 -0.08 1.01 -1.07 -0.97 121.20 123.23 3pck s ILE 505 Ca 0.26 0.01 -0.30 0.00 0.00 0.00 0.00 60.65 60.63 3pck s ILE 505 Cb 0.20 -3.89 -0.08 0.00 0.01 0.00 0.00 42.46 38.69 3pck s ILE 505 CO 0.40 -0.19 1.16 0.00 0.00 0.00 0.00 174.94 176.32 3pck s ALA 506 N 2.11 3.42 -0.08 9.38 0.00 0.62 -4.85 121.76 132.34 3pck s ALA 506 Ca 0.13 0.91 -0.10 0.00 0.00 0.00 0.00 51.96 52.90 3pck s ALA 506 Cb -0.16 -3.39 -0.05 0.00 0.00 0.00 0.00 23.12 19.52 3pck s ALA 506 CO 0.12 -0.31 0.25 0.15 0.00 0.00 0.00 175.76 175.97 3pck s LYS 507 N -0.46 3.69 0.32 0.00 -0.14 -0.59 -1.36 119.74 121.20 3pck s LYS 507 Ca 0.51 0.08 -0.29 0.00 -1.36 0.00 0.00 55.97 54.90 3pck s LYS 507 Cb -0.32 -3.23 -0.11 0.00 -1.68 0.00 0.00 37.83 32.49 3pck s LYS 507 CO 0.37 0.69 1.56 -1.17 -0.76 0.00 0.00 175.35 176.05 3pck s LEU 508 N -0.89 4.33 -0.60 3.17 2.96 -1.26 0.13 118.68 126.52 3pck s LEU 508 Ca 0.18 3.00 0.04 0.00 -0.22 0.00 0.00 54.13 57.14 3pck s LEU 508 Cb -0.14 -3.65 0.16 0.00 0.50 0.00 0.00 46.19 43.07 3pck s LEU 508 CO 0.07 -0.91 0.42 -0.62 -1.32 0.00 0.00 176.35 173.99 3pck s ASP 509 N 0.28 3.85 0.40 3.68 2.15 0.48 -4.79 116.67 122.71 3pck s ASP 509 Ca 0.60 -3.50 0.08 0.00 0.43 0.00 0.00 52.55 50.16 3pck s ASP 509 Cb -0.48 -1.28 0.85 0.00 -0.30 0.00 0.00 42.92 41.71 3pck s ASP 509 CO 0.54 -0.13 2.00 0.24 -0.17 0.00 0.00 175.17 177.64 3pck h MET 510 N 5.64 0.59 -0.06 4.34 2.86 -1.93 -1.97 114.93 124.40 3pck h MET 510 Ca 0.15 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.74 3pck h MET 510 Cb 0.82 -0.13 -0.00 0.00 0.06 0.00 0.00 31.60 32.34 3pck h MET 510 CO 0.61 0.39 -0.01 -0.91 1.06 0.00 0.00 176.91 178.04 3pck h ASN 511 N 0.60 0.08 -0.01 1.22 2.35 -1.94 -2.70 115.58 115.18 3pck h ASN 511 Ca 0.25 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 56.00 3pck h ASN 511 Cb 0.23 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.58 3pck h ASN 511 CO -0.07 0.11 -0.15 -3.20 -1.65 0.00 0.00 177.43 172.47 3pck n ASN 512 N -4.46 2.42 -4.81 5.81 5.15 -0.75 -4.98 115.26 113.64 3pck n ASN 512 Ca -0.02 -1.74 -0.33 0.00 -0.60 0.00 0.00 54.58 51.90 3pck n ASN 512 Cb 0.13 0.14 0.01 0.00 -0.53 0.00 0.00 39.78 39.53 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 -2.16 2.76 -0.42 5.20 0.00 -1.02 -4.78 121.76 121.33 3pck s ALA 513 Ca 0.26 0.38 -0.12 0.00 0.00 0.00 0.00 51.96 52.49 3pck s ALA 513 Cb 0.20 -3.22 0.06 0.00 0.00 0.00 0.00 23.12 20.15 3pck s ALA 513 CO 0.39 -0.77 0.29 -0.80 0.00 0.00 0.00 175.76 174.88 3pck s ASN 514 N -2.80 5.86 0.33 0.00 0.01 0.34 -5.00 114.94 113.68 3pck s ASN 514 Ca 0.63 -1.27 -0.26 0.00 -0.71 0.00 0.00 52.86 51.25 3pck s ASN 514 Cb -0.16 -2.07 -0.14 0.00 0.41 0.00 0.00 41.25 39.30 3pck s ASN 514 CO 0.36 -0.53 0.85 -2.65 -1.51 0.00 0.00 177.10 173.63 3pck n PRO 515 N 5.04 1.02 -1.78 -0.60 -0.02 -1.26 -0.68 135.00 136.72 3pck n PRO 515 Ca -0.11 0.36 -0.16 0.00 -2.02 0.00 0.00 63.50 61.57 3pck n PRO 515 Cb 0.44 -1.70 -0.05 0.00 -0.02 0.00 0.00 33.50 32.18 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 0.64 -1.56 0.09 -0.52 2.81 -1.26 -4.66 117.12 112.66 3pck n MET 516 Ca 0.11 0.90 0.00 0.00 -1.81 0.00 0.00 57.70 56.90 3pck n MET 516 Cb 0.34 -5.31 0.00 0.00 -0.71 0.00 0.00 33.22 27.54 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 -1.18 -0.27 -3.58 7.83 -0.08 0.14 -5.16 116.55 114.25 3pck n ASP 517 Ca -0.17 0.32 -0.13 0.00 -1.51 0.00 0.00 54.79 53.30 3pck n ASP 517 Cb 0.57 0.41 -0.05 0.00 2.34 0.00 0.00 41.12 44.39 3pck n ASP 517 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3pck s LEU 519 N -2.14 2.96 -0.04 0.00 1.43 -1.04 -0.50 118.68 119.35 3pck s LEU 519 Ca -0.04 -0.25 -0.10 0.00 -1.03 0.00 0.00 54.13 52.71 3pck s LEU 519 Cb -0.00 -2.10 0.02 0.00 0.03 0.00 0.00 46.19 44.13 3pck s LEU 519 CO -0.04 -1.90 0.24 0.00 0.23 0.00 0.00 176.35 174.88 3pck s ALA 520 N -3.20 -0.59 0.03 4.21 0.00 -1.26 -1.06 121.76 119.88 3pck s ALA 520 Ca 0.66 0.33 0.08 0.00 0.00 0.00 0.00 51.96 53.04 3pck s ALA 520 Cb -0.06 -0.09 -0.03 0.00 0.00 0.00 0.00 23.12 22.95 3pck s ALA 520 CO 0.45 -0.20 -0.25 0.71 0.00 0.00 0.00 175.76 176.48 3pck s TYR 521 N -0.82 2.18 -0.22 0.00 1.51 0.21 0.18 117.35 120.39 3pck s TYR 521 Ca -0.09 -0.40 -0.08 0.00 -1.01 0.00 0.00 57.07 55.48 3pck s TYR 521 Cb -0.05 -1.33 -0.04 0.00 -0.11 0.00 0.00 41.96 40.43 3pck s TYR 521 CO 0.02 0.08 0.10 0.50 -1.11 0.00 0.00 175.55 175.14 3pck s ARG 522 N -1.07 3.91 -0.25 -0.62 6.06 0.12 -1.85 118.95 125.24 3pck s ARG 522 Ca 0.10 -0.36 -0.03 0.00 -2.50 0.00 0.00 55.73 52.94 3pck s ARG 522 Cb -0.10 -3.35 0.08 0.00 0.06 0.00 0.00 34.95 31.65 3pck s ARG 522 CO 0.01 0.07 0.09 0.12 -2.50 0.00 0.00 175.30 173.09 3pck s PHE 523 N 0.96 0.90 0.05 5.12 5.36 0.31 -1.54 117.98 129.14 3pck s PHE 523 Ca 0.05 -1.04 -0.02 0.00 -0.96 0.00 0.00 56.93 54.96 3pck s PHE 523 Cb -0.14 -1.14 -0.04 0.00 -0.34 0.00 0.00 43.02 41.36 3pck s PHE 523 CO 0.03 -0.74 0.23 -0.51 -1.46 0.00 0.00 175.22 172.77 3pck s ASP 524 N 1.90 6.39 -0.04 6.13 1.01 -1.26 -4.01 116.67 126.79 3pck s ASP 524 Ca 0.05 0.35 0.06 0.00 0.71 0.00 0.00 52.55 53.72 3pck s ASP 524 Cb -0.17 -2.00 -0.01 0.00 1.01 0.00 0.00 42.92 41.76 3pck s ASP 524 CO -0.22 0.19 -0.23 -0.63 0.21 0.00 0.00 175.17 174.49 3pck s ILE 525 N -1.46 1.85 -0.21 0.77 1.01 -0.34 -4.96 121.20 117.87 3pck s ILE 525 Ca 0.33 -0.97 -0.01 0.00 0.00 0.00 0.00 60.65 60.00 3pck s ILE 525 Cb -0.13 -1.56 0.01 0.00 0.01 0.00 0.00 42.46 40.79 3pck s ILE 525 CO 0.24 0.52 -0.12 -0.69 0.00 0.00 0.00 174.94 174.89 3pck s VAL 526 N -0.26 2.64 0.36 2.92 1.01 -1.25 -1.32 120.40 124.49 3pck s VAL 526 Ca 0.01 -0.83 0.07 0.00 0.00 0.00 0.00 61.98 61.23 3pck s VAL 526 Cb -0.12 -2.20 -0.02 0.00 0.00 0.00 0.00 36.38 34.05 3pck s VAL 526 CO 0.02 0.42 0.38 -0.76 0.00 0.00 0.00 175.10 175.16 3pck s LEU 527 N 1.35 3.65 0.28 3.92 1.43 0.95 -4.91 118.68 125.35 3pck s LEU 527 Ca 0.04 -0.46 -0.29 0.00 -1.03 0.00 0.00 54.13 52.39 3pck s LEU 527 Cb -0.14 -2.36 -0.14 0.00 0.03 0.00 0.00 46.19 43.58 3pck s LEU 527 CO -0.08 -0.47 1.16 0.54 0.23 0.00 0.00 176.35 177.73 3pck n ARG 528 N -1.52 1.62 -1.81 1.70 1.74 -1.26 -1.02 116.66 116.11 3pck n ARG 528 Ca 0.01 0.57 -0.42 0.00 -0.77 0.00 0.00 57.85 57.24 3pck n ARG 528 Cb 0.60 -2.05 -0.02 0.00 -1.02 0.00 0.00 32.46 29.96 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 -0.29 1.68 -0.20 -0.13 0.00 -1.26 -4.29 107.32 102.84 3pck s GLY 529 Ca 0.61 1.52 -0.07 0.00 0.00 0.00 0.00 44.72 46.78 3pck s GLY 529 CO 0.58 2.66 0.06 1.62 0.00 0.00 0.00 173.10 178.02 3pck s GLN 530 N 0.46 3.89 0.25 2.90 0.74 -1.26 -1.41 119.66 125.24 3pck s GLN 530 Ca 0.69 -0.38 0.03 0.00 0.05 0.00 0.00 55.36 55.74 3pck s GLN 530 Cb -0.47 -3.23 -0.05 0.00 1.10 0.00 0.00 33.01 30.36 3pck s GLN 530 CO 0.38 0.17 0.04 -0.98 -0.55 0.00 0.00 175.29 174.35 3pck s ARG 531 N 0.64 1.40 0.28 1.67 1.70 -0.05 -4.97 118.95 119.63 3pck s ARG 531 Ca 0.03 -1.74 -0.10 0.00 -0.47 0.00 0.00 55.73 53.45 3pck s ARG 531 Cb -0.13 -0.52 -0.07 0.00 -0.57 0.00 0.00 34.95 33.66 3pck s ARG 531 CO 0.02 -0.18 0.62 -1.59 -1.08 0.00 0.00 175.30 173.09 3pck s LYS 532 N -3.93 3.82 0.89 3.89 -2.85 -1.26 -1.36 119.74 118.94 3pck s LYS 532 Ca 0.33 0.35 -0.11 0.00 -1.00 0.00 0.00 55.97 55.53 3pck s LYS 532 Cb 0.07 -2.56 0.12 0.00 -2.06 0.00 0.00 37.83 33.40 3pck s LYS 532 CO 0.11 0.22 1.10 0.95 0.10 0.00 0.00 175.35 177.83 3pck s THR 533 N -1.97 2.67 -0.27 3.79 -4.23 -1.22 -4.75 115.64 109.67 3pck s THR 533 Ca 0.49 0.22 -0.25 0.00 -1.18 0.00 0.00 61.69 60.97 3pck s THR 533 Cb -0.11 -2.55 0.08 0.00 1.34 0.00 0.00 72.50 71.26 3pck s THR 533 CO 0.23 -0.29 0.78 -1.38 -0.54 0.00 0.00 174.62 173.43 3pck s HIS 534 N -2.81 -0.72 -1.12 3.99 -3.43 -1.26 -4.96 115.29 104.97 3pck s HIS 534 Ca 0.64 1.76 -0.08 0.00 -0.80 0.00 0.00 55.06 56.58 3pck s HIS 534 Cb -0.19 0.29 0.07 0.00 -1.43 0.00 0.00 32.58 31.32 3pck s HIS 534 CO 0.58 -0.35 0.37 1.19 -2.00 0.00 0.00 174.74 174.52 3pck n PHE 535 N 2.56 -1.71 1.75 0.38 3.72 -1.26 -5.25 117.46 117.65 3pck n PHE 535 Ca -0.14 0.37 0.15 0.00 -0.05 0.00 0.00 57.45 57.78 3pck n PHE 535 Cb 0.55 -2.50 0.74 0.00 -0.94 0.00 0.00 39.48 37.33 3pck n PHE 535 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10