#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 2.98 0.05 0.55 0.00 -1.26 -5.06 121.76 119.03 3pck s ALA 302 Ca 0.00 1.11 0.08 0.00 0.00 0.00 0.00 51.96 53.15 3pck s ALA 302 Cb 0.00 -3.46 -0.03 0.00 0.00 0.00 0.00 23.12 19.64 3pck s ALA 302 CO 0.00 -0.90 -0.23 -0.65 0.00 0.00 0.00 175.76 173.98 3pck s GLN 303 N -2.67 1.52 -1.46 0.00 -0.21 -1.26 -5.07 119.66 110.52 3pck s GLN 303 Ca 0.65 -1.04 -0.13 0.00 0.02 0.00 0.00 55.36 54.86 3pck s GLN 303 Cb -0.34 -1.69 0.04 0.00 1.00 0.00 0.00 33.01 32.02 3pck s GLN 303 CO 0.41 0.43 2.26 -3.47 -2.12 0.00 0.00 175.29 172.81 3pck n ASP 304 N 1.73 4.47 -0.01 5.90 2.03 -1.26 -4.61 116.55 124.80 3pck n ASP 304 Ca -0.17 -2.85 0.08 0.00 0.52 0.00 0.00 54.79 52.38 3pck n ASP 304 Cb 0.53 -1.63 -0.13 0.00 -0.72 0.00 0.00 41.12 39.17 3pck n ASP 304 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 3pck n ASN 305 N 5.61 1.10 -4.71 1.67 0.23 -1.26 -5.02 115.26 112.89 3pck n ASN 305 Ca 0.53 -0.09 -0.23 0.00 -0.53 0.00 0.00 54.58 54.27 3pck n ASN 305 Cb 0.37 1.70 -0.06 0.00 -2.08 0.00 0.00 39.78 39.71 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 -3.81 4.86 0.10 0.53 0.01 -1.26 -3.18 113.70 110.94 3pck s SER 306 Ca -0.05 -0.54 0.07 0.00 1.31 0.00 0.00 55.95 56.75 3pck s SER 306 Cb 0.11 -1.00 -0.03 0.00 0.21 0.00 0.00 66.02 65.30 3pck s SER 306 CO 0.70 -0.05 -0.19 -0.13 0.41 0.00 0.00 173.24 173.99 3pck s ARG 307 N -3.75 1.05 -0.08 12.44 1.81 0.65 -4.86 118.95 126.22 3pck s ARG 307 Ca 0.33 -1.12 0.04 0.00 -1.72 0.00 0.00 55.73 53.26 3pck s ARG 307 Cb -0.06 -1.22 -0.00 0.00 -0.45 0.00 0.00 34.95 33.21 3pck s ARG 307 CO 0.22 0.28 -0.22 -0.06 -0.68 0.00 0.00 175.30 174.83 3pck s PHE 308 N -1.27 2.30 0.10 -0.53 0.40 -1.26 -1.12 117.98 116.59 3pck s PHE 308 Ca 0.05 -0.84 -0.36 0.00 -0.60 0.00 0.00 56.93 55.18 3pck s PHE 308 Cb -0.10 -1.54 -0.16 0.00 0.51 0.00 0.00 43.02 41.74 3pck s PHE 308 CO 0.04 -0.32 1.45 0.28 0.70 0.00 0.00 175.22 177.37 3pck n VAL 309 N 3.36 0.02 -1.72 -0.44 0.31 -0.12 -4.88 118.33 114.85 3pck n VAL 309 Ca -0.19 -0.00 -0.41 0.00 -0.01 0.00 0.00 64.34 63.73 3pck n VAL 309 Cb 0.53 -1.12 0.01 0.00 -0.91 0.00 0.00 33.84 32.35 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 2.96 2.63 -2.28 2.52 2.08 -1.26 -4.69 119.36 121.33 3pck n ILE 310 Ca 0.18 -0.50 -0.41 0.00 0.56 0.00 0.00 62.75 62.59 3pck n ILE 310 Cb 0.23 -1.66 -0.03 0.00 -0.75 0.00 0.00 39.64 37.42 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 -2.28 4.48 -0.61 0.38 0.52 -1.26 -4.98 118.95 115.19 3pck s ARG 311 Ca 0.61 2.02 -0.20 0.00 -0.52 0.00 0.00 55.73 57.65 3pck s ARG 311 Cb -0.49 -3.13 0.10 0.00 0.52 0.00 0.00 34.95 31.94 3pck s ARG 311 CO 0.58 -0.03 0.77 0.34 0.02 0.00 0.00 175.30 176.98 3pck s ASP 312 N -0.56 6.19 0.00 0.23 -1.08 -1.26 -4.90 116.67 115.29 3pck s ASP 312 Ca 0.48 -1.35 0.26 0.00 -0.52 0.00 0.00 52.55 51.42 3pck s ASP 312 Cb -0.36 -2.33 1.56 0.00 -1.46 0.00 0.00 42.92 40.33 3pck s ASP 312 CO 0.46 -1.19 1.93 0.54 0.52 0.00 0.00 175.17 177.44 3pck n ARG 313 N 6.63 0.80 -0.00 4.34 1.74 -1.26 -1.98 116.66 126.92 3pck n ARG 313 Ca -0.08 0.00 0.08 0.00 -0.77 0.00 0.00 57.85 57.09 3pck n ARG 313 Cb 0.43 -1.50 -0.10 0.00 -1.02 0.00 0.00 32.46 30.27 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 -1.02 0.82 -0.07 0.55 3.02 -1.26 -4.37 115.26 112.93 3pck n ASN 314 Ca 0.19 -0.79 -0.11 0.00 -0.03 0.00 0.00 54.58 53.84 3pck n ASN 314 Cb 0.10 1.09 -0.08 0.00 -0.61 0.00 0.00 39.78 40.28 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 -4.27 3.10 2.91 -1.82 -3.44 115.95 112.44 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 0.45 0.00 0.14 0.00 -0.51 0.00 0.00 29.16 29.24 3pck h TRP 315 CO 0.00 0.71 0.30 -1.01 -1.03 0.00 0.00 178.44 177.40 3pck s HIS 316 N -2.06 2.43 0.58 2.65 3.76 -1.09 -4.70 115.29 116.86 3pck s HIS 316 Ca -0.15 1.54 -0.18 0.00 -0.15 0.00 0.00 55.06 56.11 3pck s HIS 316 Cb -0.00 -3.09 -0.04 0.00 1.11 0.00 0.00 32.58 30.55 3pck s HIS 316 CO 0.44 -2.01 1.15 -1.25 -0.85 0.00 0.00 174.74 172.22 3pck s PRO 317 N -4.88 3.14 0.98 8.40 0.04 -1.26 -4.81 135.00 136.61 3pck s PRO 317 Ca 0.62 1.63 -0.16 0.00 0.04 0.00 0.00 61.00 63.13 3pck s PRO 317 Cb -0.18 -1.97 0.20 0.00 0.04 0.00 0.00 34.50 32.59 3pck s PRO 317 CO 0.56 -1.03 1.26 0.15 0.04 0.00 0.00 177.00 177.99 3pck s LYS 318 N -3.45 0.50 -0.10 4.56 -0.14 -1.25 -4.98 119.74 114.89 3pck s LYS 318 Ca 0.73 -0.26 -0.27 0.00 -1.36 0.00 0.00 55.97 54.81 3pck s LYS 318 Cb -0.25 -1.82 -0.25 0.00 -1.68 0.00 0.00 37.83 33.83 3pck s LYS 318 CO 0.31 -2.53 0.90 0.00 -0.76 0.00 0.00 175.35 173.27 3pck h ALA 319 N -1.73 -0.00 -2.07 5.17 0.00 -1.95 -3.41 119.26 115.26 3pck h ALA 319 Ca -0.45 -0.49 -0.70 0.00 0.00 0.00 0.00 54.91 53.28 3pck h ALA 319 Cb 1.26 0.01 -0.19 0.00 0.00 0.00 0.00 17.79 18.87 3pck h ALA 319 CO 0.42 0.03 0.02 -1.17 0.00 0.00 0.00 179.25 178.55 3pck s LEU 320 N -8.36 5.16 -0.50 0.00 2.96 -1.26 -4.80 118.68 111.89 3pck s LEU 320 Ca -0.17 -1.10 0.04 0.00 -0.22 0.00 0.00 54.13 52.67 3pck s LEU 320 Cb -0.01 -2.38 0.16 0.00 0.50 0.00 0.00 46.19 44.46 3pck s LEU 320 CO 0.72 -0.92 0.36 0.42 -1.32 0.00 0.00 176.35 175.60 3pck s THR 321 N 2.52 1.27 0.54 3.68 -4.23 -1.26 -5.04 115.64 113.11 3pck s THR 321 Ca 0.13 -3.04 0.42 0.00 -1.18 0.00 0.00 61.69 58.03 3pck s THR 321 Cb -0.21 -1.86 0.64 0.00 1.34 0.00 0.00 72.50 72.41 3pck s THR 321 CO 0.10 -1.09 1.67 -0.65 -0.54 0.00 0.00 174.62 174.11 3pck h PRO 322 N 5.88 0.02 0.00 3.99 0.11 -1.95 0.44 132.00 140.49 3pck h PRO 322 Ca 0.16 -0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.21 3pck h PRO 322 Cb 0.87 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.97 3pck h PRO 322 CO 0.48 0.01 -0.29 -0.44 -0.21 0.00 0.00 178.00 177.55 3pck h ASP 323 N 0.02 0.00 -3.06 -2.05 3.32 -1.96 -3.22 116.42 109.47 3pck h ASP 323 Ca 0.78 0.00 -0.74 0.00 0.02 0.00 0.00 57.03 57.08 3pck h ASP 323 Cb 3.02 0.00 -0.22 0.00 0.22 0.00 0.00 39.33 42.36 3pck h ASP 323 CO -0.06 0.29 0.55 -0.47 -1.72 0.00 0.00 179.24 177.83 3pck s TYR 324 N -4.30 3.51 0.34 4.55 5.04 0.14 -4.83 117.35 121.80 3pck s TYR 324 Ca -0.03 -1.81 0.13 0.00 -2.44 0.00 0.00 57.07 52.92 3pck s TYR 324 Cb 0.15 -4.06 1.07 0.00 0.35 0.00 0.00 41.96 39.46 3pck s TYR 324 CO 0.70 -1.23 1.61 0.87 -1.34 0.00 0.00 175.55 176.16 3pck h LYS 325 N 8.08 0.10 -0.03 4.97 1.57 -1.77 -1.77 116.57 127.73 3pck h LYS 325 Ca 0.15 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.89 3pck h LYS 325 Cb 1.01 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.29 3pck h LYS 325 CO 0.97 0.07 -0.16 1.15 -0.57 0.00 0.00 179.45 180.91 3pck h THR 326 N 0.11 1.13 0.00 -0.16 2.02 -1.91 -2.77 112.91 111.32 3pck h THR 326 Ca 0.73 -0.62 -0.00 0.00 0.77 0.00 0.00 66.41 67.28 3pck h THR 326 Cb 1.73 1.29 -0.00 0.00 -1.74 0.00 0.00 68.15 69.43 3pck h THR 326 CO -0.75 0.18 -0.00 0.77 0.37 0.00 0.00 175.52 176.09 3pck h SER 327 N 0.05 0.00 0.09 4.18 4.64 -1.61 -3.08 113.55 117.82 3pck h SER 327 Ca 0.01 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.34 3pck h SER 327 Cb 0.31 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.38 3pck h SER 327 CO 0.02 0.00 -0.15 0.40 -0.87 0.00 0.00 176.83 176.24 3pck h ILE 328 N 0.00 0.66 0.00 0.95 2.04 -1.66 -2.78 117.51 116.73 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 0.01 0.66 0.00 0.00 -0.74 0.00 0.00 36.82 36.75 3pck h ILE 328 CO 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 178.15 177.80 3pck n ALA 329 N -2.39 2.67 -1.46 1.87 0.00 -1.23 -4.14 120.51 115.83 3pck n ALA 329 Ca -0.07 -0.16 -0.13 0.00 0.00 0.00 0.00 53.44 53.09 3pck n ALA 329 Cb 0.19 -1.30 0.17 0.00 0.00 0.00 0.00 19.45 18.51 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 -2.14 2.13 -4.73 0.00 1.74 -1.13 -4.96 116.66 107.57 3pck n ARG 330 Ca 0.04 -3.25 -0.25 0.00 -0.77 0.00 0.00 57.85 53.62 3pck n ARG 330 Cb 0.43 -1.97 -0.16 0.00 -1.02 0.00 0.00 32.46 29.74 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 -2.33 1.94 0.41 0.55 1.04 -1.06 -4.94 113.70 109.31 3pck s SER 331 Ca 0.49 -0.31 -0.26 0.00 0.48 0.00 0.00 55.95 56.35 3pck s SER 331 Cb 0.43 -0.53 -0.09 0.00 0.10 0.00 0.00 66.02 65.94 3pck s SER 331 CO 0.02 0.13 1.32 -2.16 0.98 0.00 0.00 173.24 173.53 3pck s PRO 332 N 0.07 3.92 0.12 4.02 0.04 -1.26 -4.94 135.00 136.97 3pck s PRO 332 Ca -0.04 2.18 0.22 0.00 0.04 0.00 0.00 61.00 63.41 3pck s PRO 332 Cb -0.11 -2.73 -0.09 0.00 0.04 0.00 0.00 34.50 31.61 3pck s PRO 332 CO 0.02 -0.54 0.88 0.54 0.04 0.00 0.00 177.00 177.93 3pck n ARG 333 N 0.06 0.59 -3.17 4.56 5.12 -1.26 -4.92 116.66 117.64 3pck n ARG 333 Ca 0.04 0.01 -0.28 0.00 -1.93 0.00 0.00 57.85 55.69 3pck n ARG 333 Cb 0.43 -1.71 -0.03 0.00 -1.16 0.00 0.00 32.46 29.99 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 -3.39 3.64 0.54 5.56 -1.52 -1.26 -5.06 119.66 118.17 3pck s GLN 334 Ca -0.02 0.09 -0.19 0.00 -1.95 0.00 0.00 55.36 53.28 3pck s GLN 334 Cb 0.11 -2.57 -0.06 0.00 -0.22 0.00 0.00 33.01 30.27 3pck s GLN 334 CO 0.83 0.11 1.11 0.00 -0.25 0.00 0.00 175.29 177.09 3pck s ALA 335 N -2.23 2.73 0.52 6.09 0.00 -1.26 -4.99 121.76 122.62 3pck s ALA 335 Ca 0.45 0.76 -0.21 0.00 0.00 0.00 0.00 51.96 52.96 3pck s ALA 335 Cb -0.10 -3.33 -0.06 0.00 0.00 0.00 0.00 23.12 19.63 3pck s ALA 335 CO 0.32 -0.69 1.20 -0.51 0.00 0.00 0.00 175.76 176.08 3pck s LEU 336 N -3.79 3.85 -0.29 0.00 1.43 -1.26 -5.00 118.68 113.63 3pck s LEU 336 Ca 0.71 2.37 -0.15 0.00 -1.03 0.00 0.00 54.13 56.03 3pck s LEU 336 Cb -0.22 -4.40 -0.03 0.00 0.03 0.00 0.00 46.19 41.57 3pck s LEU 336 CO 0.26 -1.24 0.35 -0.69 0.23 0.00 0.00 176.35 175.26 3pck s VAL 337 N -1.56 5.19 0.32 -1.59 1.01 -1.26 -5.07 120.40 117.43 3pck s VAL 337 Ca 0.70 0.40 -0.27 0.00 0.00 0.00 0.00 61.98 62.81 3pck s VAL 337 Cb -0.30 -3.71 -0.09 0.00 0.00 0.00 0.00 36.38 32.28 3pck s VAL 337 CO 0.35 0.11 1.05 -0.44 0.00 0.00 0.00 175.10 176.17 3pck s SER 338 N 1.68 7.13 0.01 3.32 0.01 -1.26 -5.05 113.70 119.54 3pck s SER 338 Ca 0.13 2.12 0.01 0.00 1.31 0.00 0.00 55.95 59.52 3pck s SER 338 Cb -0.16 -2.61 -0.01 0.00 0.21 0.00 0.00 66.02 63.45 3pck s SER 338 CO 0.11 -0.23 -0.04 0.27 0.41 0.00 0.00 173.24 173.76 3pck s ILE 339 N -1.37 0.24 0.70 1.44 -4.36 -1.26 -5.14 121.20 111.45 3pck s ILE 339 Ca 0.49 -0.44 -0.16 0.00 -0.26 0.00 0.00 60.65 60.29 3pck s ILE 339 Cb -0.27 -0.27 0.02 0.00 1.25 0.00 0.00 42.46 43.20 3pck s ILE 339 CO 0.34 -0.13 1.21 -2.16 0.24 0.00 0.00 174.94 174.44 3pck s PRO 340 N -0.60 2.34 0.26 0.37 0.04 -1.26 -4.96 135.00 131.18 3pck s PRO 340 Ca -0.04 1.78 -0.30 0.00 0.04 0.00 0.00 61.00 62.48 3pck s PRO 340 Cb -0.04 -1.85 -0.09 0.00 0.04 0.00 0.00 34.50 32.55 3pck s PRO 340 CO -0.00 -1.69 1.14 -0.65 0.04 0.00 0.00 177.00 175.84 3pck s GLN 341 N -3.79 4.58 0.33 4.56 -0.21 -1.26 -5.01 119.66 118.86 3pck s GLN 341 Ca 0.75 1.86 0.04 0.00 0.02 0.00 0.00 55.36 58.04 3pck s GLN 341 Cb -0.30 -3.19 -0.03 0.00 1.00 0.00 0.00 33.01 30.49 3pck s GLN 341 CO 0.43 0.10 0.19 -1.54 -2.12 0.00 0.00 175.29 172.34 3pck s SER 342 N -0.58 1.85 0.52 5.90 1.04 -1.26 -5.01 113.70 116.16 3pck s SER 342 Ca 0.47 -1.64 0.18 0.00 0.48 0.00 0.00 55.95 55.43 3pck s SER 342 Cb -0.33 0.47 1.28 0.00 0.10 0.00 0.00 66.02 67.55 3pck s SER 342 CO 0.41 -0.95 2.11 -0.29 0.98 0.00 0.00 173.24 175.50 3pck h ILE 343 N 2.10 0.95 -0.71 -1.02 2.10 -1.96 -0.68 117.51 118.28 3pck h ILE 343 Ca -0.31 -0.01 0.03 0.00 1.08 0.00 0.00 64.86 65.65 3pck h ILE 343 Cb 1.25 0.93 -0.04 0.00 -1.09 0.00 0.00 36.82 37.86 3pck h ILE 343 CO 0.48 0.00 0.45 0.28 -1.08 0.00 0.00 178.15 178.28 3pck h SER 344 N 0.02 0.75 0.80 2.19 0.02 -1.96 -2.87 113.55 112.50 3pck h SER 344 Ca 0.06 -0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.87 3pck h SER 344 Cb 0.22 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.57 3pck h SER 344 CO -0.00 0.52 -1.29 -0.33 -1.14 0.00 0.00 176.83 174.59 3pck h GLU 345 N 0.89 0.00 -0.20 3.45 3.07 -1.69 -3.38 114.58 116.72 3pck h GLU 345 Ca 0.28 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.14 3pck h GLU 345 Cb -0.01 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.90 3pck h GLU 345 CO -0.10 0.26 0.00 0.25 -1.40 0.00 0.00 179.01 178.02 3pck n THR 346 N -2.88 0.24 -4.39 1.13 -2.24 -0.36 -3.02 114.28 102.76 3pck n THR 346 Ca -0.07 -0.49 -0.28 0.00 -2.27 0.00 0.00 64.05 60.93 3pck n THR 346 Cb 0.79 0.78 -0.07 0.00 -2.10 0.00 0.00 70.33 69.73 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 -1.76 1.79 0.00 4.28 -4.23 -1.09 -4.74 115.64 109.90 3pck s THR 347 Ca 0.34 -1.82 0.00 0.00 -1.18 0.00 0.00 61.69 59.03 3pck s THR 347 Cb 0.20 -2.61 0.00 0.00 1.34 0.00 0.00 72.50 71.43 3pck s THR 347 CO 0.30 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.99 3pck n GLY 348 N -1.27 0.34 3.77 3.99 0.00 -1.23 -1.94 105.19 108.84 3pck n GLY 348 Ca -0.07 -0.83 -0.37 0.00 0.00 0.00 0.00 46.02 44.74 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 3.71 -0.20 1.61 0.04 -1.26 -4.81 135.00 132.09 3pck s PRO 349 Ca 0.00 1.84 -0.02 0.00 0.04 0.00 0.00 61.00 62.86 3pck s PRO 349 Cb 0.00 -2.41 0.00 0.00 0.04 0.00 0.00 34.50 32.13 3pck s PRO 349 CO 0.00 -0.61 -0.11 1.21 0.04 0.00 0.00 177.00 177.53 3pck s ASN 350 N -1.28 3.80 -0.31 6.66 3.84 -1.26 -4.87 114.94 121.50 3pck s ASN 350 Ca 0.64 -0.49 0.10 0.00 0.21 0.00 0.00 52.86 53.32 3pck s ASN 350 Cb -0.30 -1.62 0.69 0.00 -0.55 0.00 0.00 41.25 39.47 3pck s ASN 350 CO 0.37 0.00 1.74 0.49 -2.79 0.00 0.00 177.10 176.91 3pck n PHE 351 N 4.64 2.19 0.06 0.43 3.72 -1.26 -4.64 117.46 122.59 3pck n PHE 351 Ca -0.19 -1.26 0.08 0.00 -0.05 0.00 0.00 57.45 56.03 3pck n PHE 351 Cb 0.51 -0.64 0.52 0.00 -0.94 0.00 0.00 39.48 38.92 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 2.28 0.28 -0.14 4.37 0.02 -1.96 -2.25 113.55 116.15 3pck h SER 352 Ca 0.26 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.20 3pck h SER 352 Cb 2.21 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 64.68 3pck h SER 352 CO 0.67 0.20 0.00 1.41 -1.14 0.00 0.00 176.83 177.97 3pck n HIS 353 N -4.49 0.17 -2.03 3.45 8.25 -1.26 -4.92 115.22 114.39 3pck n HIS 353 Ca 0.03 -0.08 -0.41 0.00 -0.26 0.00 0.00 57.72 57.00 3pck n HIS 353 Cb 0.16 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.25 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 -1.75 4.39 -0.87 2.41 2.96 -0.85 -4.91 118.68 120.06 3pck s LEU 354 Ca 0.34 2.71 -0.23 0.00 -0.22 0.00 0.00 54.13 56.72 3pck s LEU 354 Cb 0.20 -3.64 0.06 0.00 0.50 0.00 0.00 46.19 43.31 3pck s LEU 354 CO 0.30 -0.66 1.28 -0.83 -1.32 0.00 0.00 176.35 175.12 3pck s GLY 355 N 0.05 1.27 0.23 7.98 0.00 -1.26 -5.00 107.32 110.59 3pck s GLY 355 Ca 0.55 -2.02 -0.27 0.00 0.00 0.00 0.00 44.72 42.99 3pck s GLY 355 CO 0.48 2.49 0.87 -1.36 0.00 0.00 0.00 173.10 175.58 3pck s PHE 356 N 4.73 3.89 0.65 1.90 0.08 -1.26 -5.06 117.98 122.92 3pck s PHE 356 Ca 0.37 1.77 -0.12 0.00 0.12 0.00 0.00 56.93 59.07 3pck s PHE 356 Cb -0.05 -2.88 -0.01 0.00 -0.57 0.00 0.00 43.02 39.51 3pck s PHE 356 CO 0.00 0.43 1.05 0.20 -0.10 0.00 0.00 175.22 176.80 3pck s GLY 357 N -1.28 1.79 0.53 4.36 0.00 -1.26 -4.96 107.32 106.49 3pck s GLY 357 Ca 0.41 0.14 0.20 0.00 0.00 0.00 0.00 44.72 45.47 3pck s GLY 357 CO 0.28 0.44 2.11 0.00 0.00 0.00 0.00 173.10 175.93 3pck h ALA 358 N -0.33 2.11 -0.04 3.20 0.00 -2.02 -2.90 119.26 119.27 3pck h ALA 358 Ca -0.45 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.44 3pck h ALA 358 Cb 1.21 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 3pck h ALA 358 CO 0.58 -0.20 -0.37 0.72 0.00 0.00 0.00 179.25 179.98 3pck n HIS 359 N -4.42 0.13 -0.28 0.00 8.25 -1.26 -4.77 115.22 112.87 3pck n HIS 359 Ca 0.01 -1.42 0.09 0.00 -0.26 0.00 0.00 57.72 56.13 3pck n HIS 359 Cb 0.25 -0.26 0.32 0.00 1.12 0.00 0.00 29.99 31.42 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 0.85 0.75 -0.23 0.41 5.19 -1.80 -2.21 116.42 119.39 3pck h ASP 360 Ca 0.02 0.03 0.00 0.00 -0.62 0.00 0.00 57.03 56.46 3pck h ASP 360 Cb 1.07 -0.13 0.00 0.00 0.18 0.00 0.00 39.33 40.46 3pck h ASP 360 CO 0.04 0.43 0.00 0.00 -3.12 0.00 0.00 179.24 176.59 3pck n HIS 361 N -4.54 0.29 -3.83 4.55 1.44 -1.19 -2.65 115.22 109.28 3pck n HIS 361 Ca 0.16 -0.15 -0.34 0.00 -2.01 0.00 0.00 57.72 55.38 3pck n HIS 361 Cb 0.36 0.00 -0.12 0.00 0.12 0.00 0.00 29.99 30.34 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 -1.66 5.02 0.00 4.39 -1.08 -0.83 -1.73 116.67 120.78 3pck s ASP 362 Ca 0.35 -2.41 0.13 0.00 -0.52 0.00 0.00 52.55 50.10 3pck s ASP 362 Cb 0.21 -1.77 0.58 0.00 -1.46 0.00 0.00 42.92 40.48 3pck s ASP 362 CO 0.30 -0.42 1.38 0.18 0.52 0.00 0.00 175.17 177.13 3pck n LEU 363 N 4.03 0.00 0.10 -1.34 4.32 0.22 -1.25 117.00 123.08 3pck n LEU 363 Ca 0.03 0.43 -0.18 0.00 -0.02 0.00 0.00 56.01 56.26 3pck n LEU 363 Cb 0.39 -0.43 -0.11 0.00 -1.62 0.00 0.00 43.42 41.65 3pck n LEU 363 CO 0.31 -0.24 -0.01 -0.07 -1.22 0.00 0.00 177.39 176.16 3pck h LEU 364 N 0.00 0.65 0.00 2.23 4.07 -1.92 -3.39 115.31 116.95 3pck h LEU 364 Ca 0.00 -0.61 0.00 0.00 0.08 0.00 0.00 57.88 57.35 3pck h LEU 364 Cb 0.19 -0.21 0.00 0.00 1.08 0.00 0.00 40.66 41.72 3pck h LEU 364 CO 0.00 1.44 -1.56 0.18 -1.08 0.00 0.00 178.44 177.42 3pck n LEU 365 N -3.69 0.00 0.00 1.67 4.77 -0.97 -4.58 117.00 114.20 3pck n LEU 365 Ca -0.11 -0.00 0.12 0.00 -0.03 0.00 0.00 56.01 55.99 3pck n LEU 365 Cb 0.97 0.00 0.70 0.00 -2.33 0.00 0.00 43.42 42.76 3pck n LEU 365 CO 0.55 0.00 0.91 -0.46 -1.33 0.00 0.00 177.39 177.06 3pck n ASN 366 N -1.93 0.00 -0.01 -1.43 0.23 -0.38 -5.06 115.26 106.69 3pck n ASN 366 Ca -0.02 -0.99 -0.01 0.00 -0.53 0.00 0.00 54.58 53.03 3pck n ASN 366 Cb 0.32 0.00 -0.00 0.00 -2.08 0.00 0.00 39.78 38.02 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 -0.93 0.00 -0.17 -2.53 7.35 -1.26 -4.97 117.46 114.95 3pck n PHE 367 Ca 0.18 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.87 3pck n PHE 367 Cb 0.08 -0.04 0.00 0.00 0.35 0.00 0.00 39.48 39.87 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 1.78 0.00 3.85 7.13 0.00 -1.26 -4.82 105.19 111.87 3pck n GLY 371 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.28 4.37 0.72 0.99 1.02 -1.26 -4.80 118.68 118.43 3pck s LEU 372 Ca 0.00 0.95 -0.13 0.00 0.02 0.00 0.00 54.13 54.97 3pck s LEU 372 Cb 0.00 -3.05 0.03 0.00 0.02 0.00 0.00 46.19 43.19 3pck s LEU 372 CO 0.00 0.16 1.12 -2.84 0.02 0.00 0.00 176.35 174.81 3pck s PRO 373 N -1.80 2.44 -0.12 1.29 0.02 -1.26 -4.77 135.00 130.80 3pck s PRO 373 Ca 0.34 1.36 -0.11 0.00 0.02 0.00 0.00 61.00 62.61 3pck s PRO 373 Cb -0.15 -1.91 -0.05 0.00 0.02 0.00 0.00 34.50 32.42 3pck s PRO 373 CO 0.18 -1.53 0.22 0.42 -0.33 0.00 0.00 177.00 175.97 3pck s ILE 374 N -2.52 5.35 0.00 2.83 1.01 -1.26 -5.01 121.20 121.60 3pck s ILE 374 Ca 0.66 0.40 0.00 0.00 0.00 0.00 0.00 60.65 61.71 3pck s ILE 374 Cb -0.20 -3.53 0.00 0.00 0.01 0.00 0.00 42.46 38.74 3pck s ILE 374 CO 0.48 0.52 0.00 0.61 0.00 0.00 0.00 174.94 176.55 3pck n GLY 375 N 2.58 1.88 3.66 6.18 0.00 -1.26 -4.48 105.19 113.74 3pck n GLY 375 Ca -0.16 -1.74 -0.43 0.00 0.00 0.00 0.00 46.02 43.69 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 -1.58 4.20 -0.20 1.61 2.02 -1.26 -4.90 118.70 118.58 3pck s GLU 376 Ca 0.00 1.79 -0.29 0.00 0.02 0.00 0.00 54.97 56.48 3pck s GLU 376 Cb 0.00 -3.83 0.00 0.00 0.10 0.00 0.00 34.13 30.40 3pck s GLU 376 CO 0.00 -0.77 1.06 1.03 0.02 0.00 0.00 175.26 176.61 3pck s ARG 377 N 3.69 4.28 0.03 1.61 0.52 -1.26 -0.57 118.95 127.24 3pck s ARG 377 Ca 0.60 1.40 0.01 0.00 -0.52 0.00 0.00 55.73 57.22 3pck s ARG 377 Cb -0.25 -3.64 -0.02 0.00 0.52 0.00 0.00 34.95 31.56 3pck s ARG 377 CO 0.19 -0.60 -0.04 0.96 0.02 0.00 0.00 175.30 175.83 3pck s ILE 378 N 3.07 0.26 -0.17 1.52 -4.36 0.35 -2.20 121.20 119.67 3pck s ILE 378 Ca 0.46 -1.11 -0.08 0.00 -0.26 0.00 0.00 60.65 59.66 3pck s ILE 378 Cb -0.16 -0.57 -0.04 0.00 1.25 0.00 0.00 42.46 42.93 3pck s ILE 378 CO 0.09 -0.55 0.10 -0.63 0.24 0.00 0.00 174.94 174.19 3pck s ILE 379 N -1.84 5.16 -0.27 8.37 1.01 -0.30 -0.62 121.20 132.72 3pck s ILE 379 Ca -0.10 0.10 0.00 0.00 0.00 0.00 0.00 60.65 60.64 3pck s ILE 379 Cb -0.07 -3.32 0.05 0.00 0.01 0.00 0.00 42.46 39.13 3pck s ILE 379 CO -0.02 0.49 -0.07 -0.69 0.00 0.00 0.00 174.94 174.66 3pck s VAL 380 N 0.01 2.62 0.20 2.92 1.01 -0.06 -0.30 120.40 126.80 3pck s VAL 380 Ca 0.08 -1.35 0.03 0.00 0.00 0.00 0.00 61.98 60.73 3pck s VAL 380 Cb -0.12 -2.45 -0.05 0.00 0.00 0.00 0.00 36.38 33.77 3pck s VAL 380 CO 0.00 0.04 -0.00 0.00 0.00 0.00 0.00 175.10 175.14 3pck s ALA 381 N 1.22 1.56 0.00 5.51 0.00 -0.63 -0.91 121.76 128.51 3pck s ALA 381 Ca -0.05 -1.67 0.00 0.00 0.00 0.00 0.00 51.96 50.25 3pck s ALA 381 Cb -0.19 0.52 0.00 0.00 0.00 0.00 0.00 23.12 23.46 3pck s ALA 381 CO -0.04 -0.29 0.00 0.41 0.00 0.00 0.00 175.76 175.84 3pck n GLY 382 N -0.32 -1.33 3.17 0.00 0.00 -0.73 -0.78 105.19 105.19 3pck n GLY 382 Ca -0.06 -1.00 -0.23 0.00 0.00 0.00 0.00 46.02 44.73 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 -0.94 1.26 -0.22 1.61 3.52 -1.25 -1.05 118.95 121.87 3pck s ARG 383 Ca 0.00 -0.70 -0.06 0.00 -0.13 0.00 0.00 55.73 54.84 3pck s ARG 383 Cb 0.00 -1.26 -0.03 0.00 -1.56 0.00 0.00 34.95 32.10 3pck s ARG 383 CO 0.00 0.33 0.04 0.08 -0.81 0.00 0.00 175.30 174.94 3pck s VAL 384 N -0.57 4.18 0.19 7.11 1.01 0.17 -0.51 120.40 131.98 3pck s VAL 384 Ca 0.06 -0.23 -0.00 0.00 0.00 0.00 0.00 61.98 61.81 3pck s VAL 384 Cb -0.07 -2.92 -0.04 0.00 0.00 0.00 0.00 36.38 33.34 3pck s VAL 384 CO 0.00 0.39 0.09 0.68 0.00 0.00 0.00 175.10 176.26 3pck s VAL 385 N 1.24 0.26 0.57 2.92 -7.23 -0.18 -1.57 120.40 116.41 3pck s VAL 385 Ca 0.04 -1.98 0.07 0.00 -1.81 0.00 0.00 61.98 58.30 3pck s VAL 385 Cb -0.15 -2.37 0.08 0.00 0.56 0.00 0.00 36.38 34.50 3pck s VAL 385 CO 0.02 -0.18 0.79 1.51 -0.31 0.00 0.00 175.10 176.94 3pck s ASP 386 N -3.17 5.07 0.57 4.85 -4.77 0.44 0.23 116.67 119.89 3pck s ASP 386 Ca 0.33 -0.61 0.27 0.00 -3.30 0.00 0.00 52.55 49.24 3pck s ASP 386 Cb 0.07 -0.02 1.60 0.00 -1.09 0.00 0.00 42.92 43.48 3pck s ASP 386 CO 0.09 -1.32 2.12 1.56 0.70 0.00 0.00 175.17 178.31 3pck h GLN 387 N 0.12 0.00 -0.00 2.11 4.20 -1.28 0.31 115.11 120.56 3pck h GLN 387 Ca -0.34 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.37 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 0.42 0.00 -0.07 0.66 -0.67 0.00 0.00 178.83 179.17 3pck n TYR 388 N -3.97 0.00 -0.65 2.96 4.01 -1.26 -4.89 117.16 113.36 3pck n TYR 388 Ca 0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.75 3pck n TYR 388 Cb 0.29 -0.25 0.00 0.00 -0.31 0.00 0.00 39.34 39.07 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 1.30 0.68 3.73 2.72 0.00 0.11 -5.04 105.19 108.68 3pck n GLY 389 Ca 0.14 -0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.35 4.60 0.62 1.61 2.20 -1.25 -4.73 119.74 122.44 3pck s LYS 390 Ca 0.00 1.31 -0.18 0.00 -0.36 0.00 0.00 55.97 56.74 3pck s LYS 390 Cb 0.00 -3.40 -0.02 0.00 -1.51 0.00 0.00 37.83 32.90 3pck s LYS 390 CO 0.00 0.17 1.25 -1.25 -0.36 0.00 0.00 175.35 175.16 3pck s PRO 391 N 0.25 2.74 -0.59 4.03 0.05 -1.26 -0.42 135.00 139.80 3pck s PRO 391 Ca 0.45 1.94 -0.00 0.00 0.05 0.00 0.00 61.00 63.44 3pck s PRO 391 Cb -0.22 -1.88 0.15 0.00 0.05 0.00 0.00 34.50 32.60 3pck s PRO 391 CO 0.27 -1.42 0.38 0.08 0.05 0.00 0.00 177.00 176.37 3pck s VAL 392 N -1.50 3.32 0.61 -0.36 1.01 -0.61 -4.83 120.40 118.05 3pck s VAL 392 Ca 0.80 -3.12 -0.16 0.00 0.00 0.00 0.00 61.98 59.50 3pck s VAL 392 Cb -0.34 -3.20 -0.03 0.00 0.00 0.00 0.00 36.38 32.81 3pck s VAL 392 CO 0.37 -0.86 1.07 -2.16 0.00 0.00 0.00 175.10 173.53 3pck s PRO 393 N -0.19 3.19 -1.34 2.72 0.04 -1.26 -4.21 135.00 133.95 3pck s PRO 393 Ca 0.17 1.28 -0.14 0.00 0.04 0.00 0.00 61.00 62.36 3pck s PRO 393 Cb -0.22 -2.01 0.01 0.00 0.04 0.00 0.00 34.50 32.32 3pck s PRO 393 CO -0.02 -0.92 0.45 0.09 0.04 0.00 0.00 177.00 176.64 3pck n ASN 394 N -2.07 -1.97 -4.58 6.66 5.03 -0.75 -4.93 115.26 112.66 3pck n ASN 394 Ca 0.09 -1.16 -0.29 0.00 0.87 0.00 0.00 54.58 54.08 3pck n ASN 394 Cb 0.52 -2.34 -0.10 0.00 -1.02 0.00 0.00 39.78 36.85 3pck n ASN 394 CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.26 175.71 3pck s THR 395 N -3.86 3.35 -0.19 3.41 -1.32 -1.26 -4.64 115.64 111.13 3pck s THR 395 Ca 0.23 -1.31 -0.25 0.00 -1.21 0.00 0.00 61.69 59.15 3pck s THR 395 Cb -0.11 -2.58 -0.01 0.00 -1.51 0.00 0.00 72.50 68.29 3pck s THR 395 CO 0.94 0.09 0.82 -0.22 -2.21 0.00 0.00 174.62 174.03 3pck s LEU 396 N -2.28 4.15 -0.24 9.08 2.96 -1.26 -0.59 118.68 130.49 3pck s LEU 396 Ca 0.22 1.12 0.01 0.00 -0.22 0.00 0.00 54.13 55.26 3pck s LEU 396 Cb -0.11 -3.20 0.04 0.00 0.50 0.00 0.00 46.19 43.42 3pck s LEU 396 CO 0.14 -0.42 -0.11 -0.69 -1.32 0.00 0.00 176.35 173.95 3pck s VAL 397 N 2.32 2.36 -0.03 1.68 1.01 0.07 -1.59 120.40 126.21 3pck s VAL 397 Ca 0.37 -1.35 0.05 0.00 0.00 0.00 0.00 61.98 61.05 3pck s VAL 397 Cb -0.16 -2.27 -0.02 0.00 0.00 0.00 0.00 36.38 33.93 3pck s VAL 397 CO 0.11 0.13 -0.18 -1.61 0.00 0.00 0.00 175.10 173.55 3pck s GLU 398 N 1.20 2.36 0.00 2.72 2.02 -0.41 0.25 118.70 126.84 3pck s GLU 398 Ca -0.04 -0.78 -0.04 0.00 0.02 0.00 0.00 54.97 54.13 3pck s GLU 398 Cb -0.18 -2.27 -0.00 0.00 0.10 0.00 0.00 34.13 31.78 3pck s GLU 398 CO -0.06 0.60 0.07 0.00 0.02 0.00 0.00 175.26 175.89 3pck s MET 399 N -0.77 0.36 0.04 1.61 0.23 -0.53 0.14 119.30 120.39 3pck s MET 399 Ca 0.11 -0.38 -0.08 0.00 -1.03 0.00 0.00 55.69 54.32 3pck s MET 399 Cb -0.10 0.14 -0.00 0.00 -1.53 0.00 0.00 34.83 33.33 3pck s MET 399 CO 0.01 -0.07 0.15 1.67 -2.03 0.00 0.00 175.02 174.74 3pck s TRP 400 N -1.15 0.13 0.09 3.16 -2.14 -0.74 -1.61 118.94 116.68 3pck s TRP 400 Ca -0.12 -0.39 -0.27 0.00 2.66 0.00 0.00 56.10 57.98 3pck s TRP 400 Cb -0.07 -0.08 0.08 0.00 -3.10 0.00 0.00 33.47 30.30 3pck s TRP 400 CO 0.00 -0.40 1.03 1.14 -2.66 0.00 0.00 176.95 176.06 3pck s GLN 401 N -2.62 0.96 0.97 3.25 -2.07 -0.87 -0.50 119.66 118.78 3pck s GLN 401 Ca -0.05 -0.52 -0.16 0.00 -1.82 0.00 0.00 55.36 52.82 3pck s GLN 401 Cb -0.01 0.34 0.19 0.00 -1.09 0.00 0.00 33.01 32.45 3pck s GLN 401 CO -0.04 -0.44 1.27 0.00 -1.32 0.00 0.00 175.29 174.76 3pck s ALA 402 N -3.06 2.06 0.74 2.60 0.00 -1.26 -4.68 121.76 118.16 3pck s ALA 402 Ca 0.12 -1.08 -0.02 0.00 0.00 0.00 0.00 51.96 50.97 3pck s ALA 402 Cb 0.00 -2.82 0.05 0.00 0.00 0.00 0.00 23.12 20.35 3pck s ALA 402 CO -0.00 -2.49 0.32 0.27 0.00 0.00 0.00 175.76 173.86 3pck n ASN 403 N -3.84 0.20 0.24 0.00 0.23 0.93 -4.55 115.26 108.47 3pck n ASN 403 Ca 0.14 -1.22 0.15 0.00 -0.53 0.00 0.00 54.58 53.12 3pck n ASN 403 Cb 0.60 -0.23 0.84 0.00 -2.08 0.00 0.00 39.78 38.91 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 -1.21 1.74 -0.01 -2.53 0.00 -1.79 -0.54 119.26 114.92 3pck h ALA 404 Ca -0.10 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3pck h ALA 404 Cb 0.33 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3pck h ALA 404 CO 0.09 -0.16 -0.36 0.41 0.00 0.00 0.00 179.25 179.23 3pck n GLY 405 N -1.39 -0.23 1.50 0.00 0.00 -1.26 -3.60 105.19 100.21 3pck n GLY 405 Ca -0.00 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.48 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 1.38 0.55 3.78 -0.02 0.00 -0.29 -4.81 105.19 105.78 3pck n GLY 406 Ca 0.11 -0.69 -0.37 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 -1.30 4.04 -0.08 1.61 6.06 -1.26 -4.76 118.95 123.27 3pck s ARG 407 Ca 0.00 0.16 -0.05 0.00 -2.50 0.00 0.00 55.73 53.34 3pck s ARG 407 Cb 0.00 -3.34 -0.04 0.00 0.06 0.00 0.00 34.95 31.64 3pck s ARG 407 CO 0.00 0.44 0.13 0.71 -2.50 0.00 0.00 175.30 174.08 3pck s TYR 408 N -0.17 3.50 -1.25 5.12 2.02 -1.26 -0.05 117.35 125.27 3pck s TYR 408 Ca 0.19 0.42 -0.11 0.00 -0.37 0.00 0.00 57.07 57.20 3pck s TYR 408 Cb -0.14 -1.87 0.18 0.00 -0.40 0.00 0.00 41.96 39.72 3pck s TYR 408 CO 0.07 0.67 1.70 -2.13 -1.57 0.00 0.00 175.55 174.28 3pck n ARG 409 N 1.67 3.58 -3.72 -0.62 0.63 -1.26 -4.75 116.66 112.18 3pck n ARG 409 Ca -0.17 -3.70 -0.12 0.00 -0.92 0.00 0.00 57.85 52.95 3pck n ARG 409 Cb 0.54 -2.94 -0.11 0.00 0.45 0.00 0.00 32.46 30.40 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 0.61 -0.47 0.30 -0.14 2.46 -1.26 -5.07 115.29 111.71 3pck s HIS 410 Ca 0.40 1.07 0.05 0.00 0.47 0.00 0.00 55.06 57.05 3pck s HIS 410 Cb 0.05 0.18 0.73 0.00 -0.13 0.00 0.00 32.58 33.40 3pck s HIS 410 CO 0.01 -0.27 1.75 1.57 -2.47 0.00 0.00 174.74 175.33 3pck h LYS 411 N 6.66 0.64 0.00 2.88 2.10 -2.07 -0.56 116.57 126.22 3pck h LYS 411 Ca -0.34 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.27 3pck h LYS 411 Cb 1.18 -0.14 0.00 0.00 -0.90 0.00 0.00 32.23 32.36 3pck h LYS 411 CO 0.31 0.42 0.00 0.09 -2.00 0.00 0.00 179.45 178.27 3pck n ASN 412 N -4.84 0.00 -4.50 7.07 5.03 -1.26 -4.69 115.26 112.06 3pck n ASN 412 Ca 0.23 -0.05 -0.43 0.00 0.87 0.00 0.00 54.58 55.20 3pck n ASN 412 Cb 0.59 -0.24 -0.05 0.00 -1.02 0.00 0.00 39.78 39.06 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 -2.47 6.32 0.00 6.41 2.15 -0.22 -4.89 116.67 123.97 3pck s ASP 413 Ca 0.17 -0.45 0.22 0.00 0.43 0.00 0.00 52.55 52.93 3pck s ASP 413 Cb 0.11 -2.37 0.52 0.00 -0.30 0.00 0.00 42.92 40.88 3pck s ASP 413 CO 0.24 -1.01 1.44 0.54 -0.17 0.00 0.00 175.17 176.21 3pck n ARG 414 N 6.79 2.27 -1.76 4.34 5.12 -1.26 -4.95 116.66 127.21 3pck n ARG 414 Ca -0.01 -1.91 -0.41 0.00 -1.93 0.00 0.00 57.85 53.59 3pck n ARG 414 Cb 0.47 -1.47 -0.01 0.00 -1.16 0.00 0.00 32.46 30.29 3pck n ARG 414 CO 0.00 0.00 0.00 0.98 -1.93 0.00 0.00 177.63 176.68 3pck n TYR 415 N 1.13 2.92 0.48 -1.55 9.36 -1.26 -4.86 117.16 123.38 3pck n TYR 415 Ca 0.18 0.36 0.05 0.00 3.32 0.00 0.00 57.90 61.82 3pck n TYR 415 Cb 0.52 -2.56 0.26 0.00 -0.63 0.00 0.00 39.34 36.93 3pck n TYR 415 CO 0.00 0.00 0.00 1.47 0.22 0.00 0.00 176.86 178.55 3pck n LEU 416 N 1.22 0.00 -4.73 2.98 -0.00 -1.26 -4.71 117.00 110.50 3pck n LEU 416 Ca 0.05 0.32 -0.41 0.00 -0.00 0.00 0.00 56.01 55.96 3pck n LEU 416 Cb 0.38 -0.32 -0.04 0.00 -0.00 0.00 0.00 43.42 43.45 3pck n LEU 416 CO 0.64 -0.21 0.79 0.00 -0.00 0.00 0.00 177.39 178.61 3pck s ALA 417 N -2.63 3.34 0.69 1.47 0.00 -1.26 -4.99 121.76 118.37 3pck s ALA 417 Ca 0.09 0.76 -0.14 0.00 0.00 0.00 0.00 51.96 52.67 3pck s ALA 417 Cb 0.07 -3.36 0.02 0.00 0.00 0.00 0.00 23.12 19.84 3pck s ALA 417 CO 0.16 -0.24 1.12 -1.25 0.00 0.00 0.00 175.76 175.55 3pck s PRO 418 N 0.15 2.59 0.68 0.00 0.04 -1.26 -4.72 135.00 132.49 3pck s PRO 418 Ca 0.51 1.39 -0.11 0.00 0.04 0.00 0.00 61.00 62.84 3pck s PRO 418 Cb -0.28 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.34 3pck s PRO 418 CO 0.32 -1.41 1.06 -0.51 0.04 0.00 0.00 177.00 176.50 3pck s LEU 419 N -5.12 3.16 -0.28 -3.56 1.43 -1.26 -4.74 118.68 108.31 3pck s LEU 419 Ca 0.67 1.61 -0.05 0.00 -1.03 0.00 0.00 54.13 55.32 3pck s LEU 419 Cb -0.21 -4.49 0.01 0.00 0.03 0.00 0.00 46.19 41.53 3pck s LEU 419 CO 0.45 -1.38 0.04 -0.62 0.23 0.00 0.00 176.35 175.06 3pck s ASP 420 N -3.79 4.90 0.54 2.29 -1.08 -1.26 -4.99 116.67 113.28 3pck s ASP 420 Ca 0.58 -0.73 0.36 0.00 -0.52 0.00 0.00 52.55 52.24 3pck s ASP 420 Cb -0.14 -1.82 1.54 0.00 -1.46 0.00 0.00 42.92 41.04 3pck s ASP 420 CO 0.54 -0.17 1.79 1.55 0.52 0.00 0.00 175.17 179.40 3pck h PRO 421 N 8.17 0.02 -0.66 4.34 0.13 -1.96 0.14 132.00 142.19 3pck h PRO 421 Ca -0.32 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 3pck h PRO 421 Cb 1.12 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 3pck h PRO 421 CO 0.59 0.01 0.00 0.09 -0.23 0.00 0.00 178.00 178.47 3pck n ASN 422 N -4.20 4.30 -4.02 1.44 4.13 -1.26 -4.95 115.26 110.70 3pck n ASN 422 Ca 0.27 -2.25 -0.25 0.00 1.68 0.00 0.00 54.58 54.03 3pck n ASN 422 Cb 1.27 -0.52 -0.17 0.00 -1.54 0.00 0.00 39.78 38.83 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 -1.47 1.50 -0.21 3.10 5.36 0.50 -4.30 117.98 122.46 3pck s PHE 423 Ca 0.48 -0.57 -0.16 0.00 -0.96 0.00 0.00 56.93 55.72 3pck s PHE 423 Cb 0.29 -1.10 -0.08 0.00 -0.34 0.00 0.00 43.02 41.78 3pck s PHE 423 CO 0.27 -0.30 -0.33 0.41 -1.46 0.00 0.00 175.22 173.82 3pck n GLY 424 N 3.86 -0.54 0.07 13.12 0.00 -1.26 -4.70 105.19 115.74 3pck n GLY 424 Ca -0.22 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.54 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 1.40 1.87 3.05 -0.02 0.00 -1.26 -4.56 105.19 105.67 3pck n GLY 425 Ca -0.26 -0.03 -0.20 0.00 0.00 0.00 0.00 46.02 45.53 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 0.86 0.13 1.61 1.01 -1.26 -2.06 120.40 118.68 3pck s VAL 426 Ca 0.00 -0.46 -0.12 0.00 0.00 0.00 0.00 61.98 61.40 3pck s VAL 426 Cb 0.00 -0.72 0.01 0.00 0.00 0.00 0.00 36.38 35.67 3pck s VAL 426 CO 0.00 0.24 0.31 -0.83 0.00 0.00 0.00 175.10 174.82 3pck s GLY 427 N -0.24 0.05 -0.12 4.51 0.00 -0.63 -4.75 107.32 106.13 3pck s GLY 427 Ca 0.04 -0.47 -0.20 0.00 0.00 0.00 0.00 44.72 44.10 3pck s GLY 427 CO -0.00 -0.61 0.50 1.09 0.00 0.00 0.00 173.10 174.08 3pck s ARG 428 N -3.87 0.71 -0.14 2.90 1.70 -1.08 -1.45 118.95 117.72 3pck s ARG 428 Ca 0.08 0.40 -0.14 0.00 -0.47 0.00 0.00 55.73 55.59 3pck s ARG 428 Cb 0.03 0.34 0.04 0.00 -0.57 0.00 0.00 34.95 34.78 3pck s ARG 428 CO -0.08 -0.15 0.41 0.00 -1.08 0.00 0.00 175.30 174.40 3pck s LEU 430 N 0.12 4.14 0.72 0.00 2.96 -1.26 -0.75 118.68 124.61 3pck s LEU 430 Ca -0.01 0.30 -0.15 0.00 -0.22 0.00 0.00 54.13 54.06 3pck s LEU 430 Cb -0.03 -2.29 0.03 0.00 0.50 0.00 0.00 46.19 44.40 3pck s LEU 430 CO 0.01 0.01 1.19 0.42 -1.32 0.00 0.00 176.35 176.66 3pck s THR 431 N 1.11 2.46 0.37 3.68 -4.23 0.24 -4.84 115.64 114.43 3pck s THR 431 Ca 0.13 0.23 -0.03 0.00 -1.18 0.00 0.00 61.69 60.84 3pck s THR 431 Cb -0.14 -2.79 0.08 0.00 1.34 0.00 0.00 72.50 70.99 3pck s THR 431 CO 0.06 -0.12 0.51 -0.90 -0.54 0.00 0.00 174.62 173.62 3pck n ASP 432 N -2.65 0.41 0.09 3.99 5.68 -0.55 -1.80 116.55 121.73 3pck n ASP 432 Ca 0.13 -1.41 0.20 0.00 -0.50 0.00 0.00 54.79 53.21 3pck n ASP 432 Cb 0.50 -0.35 0.75 0.00 -1.14 0.00 0.00 41.12 40.88 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 -0.45 0.00 -0.40 -1.12 0.02 -1.95 -0.77 113.55 108.88 3pck h SER 433 Ca -0.17 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.78 3pck h SER 433 Cb 0.55 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.09 3pck h SER 433 CO 0.15 0.00 0.00 0.47 -1.14 0.00 0.00 176.83 176.31 3pck n ASP 434 N -3.84 3.32 0.00 3.07 8.00 -1.26 -4.62 116.55 121.21 3pck n ASP 434 Ca 0.07 -1.94 0.00 0.00 0.71 0.00 0.00 54.79 53.63 3pck n ASP 434 Cb 0.57 -0.26 0.00 0.00 -0.02 0.00 0.00 41.12 41.41 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 1.29 0.79 3.82 0.44 0.00 -0.30 -4.76 105.19 106.47 3pck n GLY 435 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.97 3.56 0.10 1.61 2.02 -1.26 -0.66 117.35 119.75 3pck s TYR 436 Ca 0.00 1.41 0.02 0.00 -0.37 0.00 0.00 57.07 58.13 3pck s TYR 436 Cb 0.00 -2.66 -0.04 0.00 -0.40 0.00 0.00 41.96 38.86 3pck s TYR 436 CO 0.00 0.22 -0.06 1.52 -1.57 0.00 0.00 175.55 175.66 3pck s TYR 437 N -1.71 0.88 -0.21 2.71 1.13 -0.22 -1.47 117.35 118.45 3pck s TYR 437 Ca 0.48 -0.93 -0.26 0.00 -1.41 0.00 0.00 57.07 54.96 3pck s TYR 437 Cb -0.15 -0.51 0.07 0.00 -1.10 0.00 0.00 41.96 40.27 3pck s TYR 437 CO 0.20 -0.16 0.69 -1.54 -2.51 0.00 0.00 175.55 172.22 3pck s SER 438 N -3.04 -0.70 0.10 -0.18 1.04 -1.26 -1.78 113.70 107.88 3pck s SER 438 Ca 0.12 1.23 0.07 0.00 0.48 0.00 0.00 55.95 57.85 3pck s SER 438 Cb 0.05 1.21 -0.03 0.00 0.10 0.00 0.00 66.02 67.35 3pck s SER 438 CO -0.05 -0.33 -0.17 -0.36 0.98 0.00 0.00 173.24 173.31 3pck s PHE 439 N -0.00 1.55 -0.13 5.02 0.08 -0.09 -4.88 117.98 119.52 3pck s PHE 439 Ca -0.03 -0.46 0.01 0.00 0.12 0.00 0.00 56.93 56.58 3pck s PHE 439 Cb -0.04 -0.84 0.02 0.00 -0.57 0.00 0.00 43.02 41.59 3pck s PHE 439 CO 0.03 0.17 -0.17 0.50 -0.10 0.00 0.00 175.22 175.65 3pck s ARG 440 N -2.11 2.50 0.00 0.44 3.52 -0.70 -0.88 118.95 121.71 3pck s ARG 440 Ca 0.05 -0.65 0.00 0.00 -0.13 0.00 0.00 55.73 55.00 3pck s ARG 440 Cb -0.09 -2.13 0.00 0.00 -1.56 0.00 0.00 34.95 31.17 3pck s ARG 440 CO 0.04 -0.11 0.00 -2.37 -0.81 0.00 0.00 175.30 172.05 3pck n THR 441 N 4.35 0.00 -4.80 4.11 5.66 0.21 0.73 114.28 124.54 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 -0.14 0.00 -1.55 0.00 0.00 70.33 69.15 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 -2.64 2.21 0.13 1.09 -5.25 -1.26 -0.50 121.20 114.99 3pck s ILE 442 Ca 0.00 -1.44 -0.31 0.00 -0.99 0.00 0.00 60.65 57.91 3pck s ILE 442 Cb 0.00 -1.89 -0.09 0.00 2.95 0.00 0.00 42.46 43.43 3pck s ILE 442 CO 0.00 0.32 1.54 -0.75 -1.79 0.00 0.00 174.94 174.26 3pck s LYS 443 N -1.40 4.24 0.71 0.37 2.20 0.26 -4.90 119.74 121.22 3pck s LYS 443 Ca 0.12 2.28 -0.11 0.00 -0.36 0.00 0.00 55.97 57.91 3pck s LYS 443 Cb -0.10 -3.27 0.02 0.00 -1.51 0.00 0.00 37.83 32.97 3pck s LYS 443 CO 0.03 -0.59 1.07 -1.25 -0.36 0.00 0.00 175.35 174.24 3pck s PRO 444 N 1.45 2.79 0.13 4.03 0.04 -1.26 -4.23 135.00 137.96 3pck s PRO 444 Ca 0.69 0.88 0.03 0.00 0.04 0.00 0.00 61.00 62.65 3pck s PRO 444 Cb -0.41 -1.98 -0.04 0.00 0.04 0.00 0.00 34.50 32.11 3pck s PRO 444 CO 0.31 -1.18 0.18 0.20 0.04 0.00 0.00 177.00 176.55 3pck s GLY 445 N -3.83 1.85 1.06 0.56 0.00 -0.74 -4.70 107.32 101.51 3pck s GLY 445 Ca 0.58 -1.06 -0.12 0.00 0.00 0.00 0.00 44.72 44.13 3pck s GLY 445 CO 0.55 -1.05 1.08 2.56 0.00 0.00 0.00 173.10 176.23 3pck s PRO 446 N -2.91 -0.13 -0.12 2.90 0.04 -1.26 -4.09 135.00 129.42 3pck s PRO 446 Ca 0.32 1.18 -0.05 0.00 0.04 0.00 0.00 61.00 62.49 3pck s PRO 446 Cb -0.11 -1.62 0.05 0.00 0.04 0.00 0.00 34.50 32.86 3pck s PRO 446 CO 0.25 -3.30 0.27 -0.47 0.04 0.00 0.00 177.00 173.80 3pck s TYR 447 N -2.52 -0.40 0.46 0.56 6.14 -0.97 -4.31 117.35 116.31 3pck s TYR 447 Ca 0.68 0.91 -0.22 0.00 0.64 0.00 0.00 57.07 59.08 3pck s TYR 447 Cb -0.24 0.04 -0.08 0.00 0.42 0.00 0.00 41.96 42.10 3pck s TYR 447 CO 0.62 -0.29 1.11 -1.25 0.64 0.00 0.00 175.55 176.38 3pck s PRO 448 N 1.72 3.83 -0.06 4.97 0.04 -1.26 -0.74 135.00 143.50 3pck s PRO 448 Ca -0.05 1.62 -0.17 0.00 0.04 0.00 0.00 61.00 62.44 3pck s PRO 448 Cb -0.11 -2.35 0.03 0.00 0.04 0.00 0.00 34.50 32.11 3pck s PRO 448 CO -0.09 -0.45 0.40 1.67 0.04 0.00 0.00 177.00 178.56 3pck s TRP 449 N -1.67 -0.33 -1.09 0.56 1.48 -0.93 -4.91 118.94 112.06 3pck s TRP 449 Ca 0.63 0.63 -0.22 0.00 -1.06 0.00 0.00 56.10 56.09 3pck s TRP 449 Cb -0.24 0.16 0.02 0.00 -1.16 0.00 0.00 33.47 32.25 3pck s TRP 449 CO 0.30 -0.38 1.66 1.03 -4.06 0.00 0.00 176.95 175.50 3pck s ARG 450 N -0.88 3.39 0.00 3.25 0.52 -1.26 -4.33 118.95 119.64 3pck s ARG 450 Ca -0.09 -1.20 0.00 0.00 -0.52 0.00 0.00 55.73 53.92 3pck s ARG 450 Cb -0.04 -5.34 0.00 0.00 0.52 0.00 0.00 34.95 30.09 3pck s ARG 450 CO 0.04 -2.62 0.00 -1.71 0.02 0.00 0.00 175.30 171.04 3pck n ASN 451 N 10.25 0.00 -4.68 0.23 5.15 -1.26 -5.05 115.26 119.90 3pck n ASN 451 Ca 0.40 0.00 -0.26 0.00 -0.60 0.00 0.00 54.58 54.11 3pck n ASN 451 Cb 0.49 0.00 0.11 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 -0.18 1.72 0.61 8.20 0.00 -1.26 -4.97 107.32 111.44 3pck s GLY 452 Ca 0.00 -1.15 0.36 0.00 0.00 0.00 0.00 44.72 43.93 3pck s GLY 452 CO 0.00 -0.62 2.25 -2.55 0.00 0.00 0.00 173.10 172.18 3pck h PRO 453 N -0.85 0.00 -1.07 2.90 0.11 -1.98 -3.25 132.00 127.86 3pck h PRO 453 Ca -0.43 0.00 -0.37 0.00 0.11 0.00 0.00 66.00 65.31 3pck h PRO 453 Cb 1.29 0.00 -0.38 0.00 0.11 0.00 0.00 31.00 32.01 3pck h PRO 453 CO 0.51 0.02 -1.15 -1.71 -0.21 0.00 0.00 178.00 175.46 3pck n ASN 454 N -3.41 1.15 -4.77 -2.05 5.15 -1.26 -5.08 115.26 105.00 3pck n ASN 454 Ca -0.02 -2.74 -0.39 0.00 -0.60 0.00 0.00 54.58 50.82 3pck n ASN 454 Cb 0.13 -0.44 -0.06 0.00 -0.53 0.00 0.00 39.78 38.88 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 -2.91 7.01 -0.05 1.20 1.01 -1.23 -5.06 116.67 116.64 3pck s ASP 455 Ca 0.28 1.20 -0.00 0.00 0.71 0.00 0.00 52.55 54.74 3pck s ASP 455 Cb 0.44 -2.37 0.03 0.00 1.01 0.00 0.00 42.92 42.02 3pck s ASP 455 CO 0.02 0.11 0.00 0.26 0.21 0.00 0.00 175.17 175.77 3pck s TRP 456 N -0.29 0.46 0.27 4.23 0.52 -1.26 -2.20 118.94 120.67 3pck s TRP 456 Ca 0.31 -0.05 -0.29 0.00 0.02 0.00 0.00 56.10 56.09 3pck s TRP 456 Cb -0.19 -0.58 -0.09 0.00 -1.15 0.00 0.00 33.47 31.46 3pck s TRP 456 CO 0.18 -0.21 1.03 1.03 0.02 0.00 0.00 176.95 179.00 3pck s ARG 457 N 1.42 4.70 0.90 4.98 1.81 0.08 -4.75 118.95 128.09 3pck s ARG 457 Ca -0.04 1.64 -0.11 0.00 -1.72 0.00 0.00 55.73 55.50 3pck s ARG 457 Cb -0.13 -3.18 0.13 0.00 -0.45 0.00 0.00 34.95 31.32 3pck s ARG 457 CO -0.03 0.32 1.09 -1.25 -0.68 0.00 0.00 175.30 174.76 3pck s PRO 458 N -1.42 1.21 0.17 3.54 0.04 -1.26 -2.28 135.00 135.00 3pck s PRO 458 Ca 0.44 0.92 -0.32 0.00 0.04 0.00 0.00 61.00 62.09 3pck s PRO 458 Cb -0.28 -1.80 -0.11 0.00 0.04 0.00 0.00 34.50 32.35 3pck s PRO 458 CO 0.36 -2.30 1.68 0.00 0.04 0.00 0.00 177.00 176.78 3pck s ALA 459 N -2.88 3.83 0.08 8.56 0.00 -1.26 -4.68 121.76 125.42 3pck s ALA 459 Ca 0.64 1.46 -0.18 0.00 0.00 0.00 0.00 51.96 53.87 3pck s ALA 459 Cb -0.19 -3.68 0.04 0.00 0.00 0.00 0.00 23.12 19.29 3pck s ALA 459 CO 0.57 -0.94 0.44 -3.38 0.00 0.00 0.00 175.76 172.45 3pck s HIS 460 N 1.56 -0.29 -0.14 0.00 -3.43 -1.26 -3.92 115.29 107.81 3pck s HIS 460 Ca 0.74 0.15 0.01 0.00 -0.80 0.00 0.00 55.06 55.15 3pck s HIS 460 Cb -0.46 0.28 -0.00 0.00 -1.43 0.00 0.00 32.58 30.96 3pck s HIS 460 CO 0.32 -0.65 -0.16 0.42 -2.00 0.00 0.00 174.74 172.67 3pck s ILE 461 N -3.07 2.63 0.17 -5.38 1.01 -0.76 -4.64 121.20 111.16 3pck s ILE 461 Ca -0.02 -0.79 -0.30 0.00 0.00 0.00 0.00 60.65 59.54 3pck s ILE 461 Cb 0.00 -2.09 -0.08 0.00 0.01 0.00 0.00 42.46 40.30 3pck s ILE 461 CO -0.07 0.52 1.09 -1.00 0.00 0.00 0.00 174.94 175.49 3pck s HIS 462 N 0.66 3.61 0.10 3.97 3.76 0.34 -0.87 115.29 126.86 3pck s HIS 462 Ca -0.08 1.61 0.07 0.00 -0.15 0.00 0.00 55.06 56.51 3pck s HIS 462 Cb -0.16 -3.26 -0.03 0.00 1.11 0.00 0.00 32.58 30.24 3pck s HIS 462 CO 0.02 -0.56 -0.18 -0.06 -0.85 0.00 0.00 174.74 173.12 3pck s PHE 463 N -0.24 1.56 -0.05 1.40 0.40 -0.17 -1.79 117.98 119.09 3pck s PHE 463 Ca 0.49 -0.45 0.00 0.00 -0.60 0.00 0.00 56.93 56.37 3pck s PHE 463 Cb -0.29 -0.85 0.02 0.00 0.51 0.00 0.00 43.02 42.41 3pck s PHE 463 CO 0.35 0.16 -0.03 0.20 0.70 0.00 0.00 175.22 176.59 3pck s GLY 464 N -1.98 0.46 -0.06 4.36 0.00 0.12 -0.67 107.32 109.54 3pck s GLY 464 Ca 0.05 -0.08 0.01 0.00 0.00 0.00 0.00 44.72 44.70 3pck s GLY 464 CO 0.04 0.60 -0.08 -0.42 0.00 0.00 0.00 173.10 173.24 3pck s ILE 465 N 1.16 0.81 -0.06 0.90 1.09 0.45 -1.29 121.20 124.26 3pck s ILE 465 Ca -0.07 -0.27 -0.04 0.00 -1.10 0.00 0.00 60.65 59.17 3pck s ILE 465 Cb -0.14 -0.79 -0.02 0.00 -1.06 0.00 0.00 42.46 40.45 3pck s ILE 465 CO -0.01 0.29 0.18 0.77 -0.10 0.00 0.00 174.94 176.07 3pck h SER 466 N 7.24 -0.11 -4.04 3.58 4.64 -1.58 -0.12 113.55 123.16 3pck h SER 466 Ca -0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.99 3pck h SER 466 Cb 1.16 0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 3pck h SER 466 CO 0.46 0.24 0.00 0.61 -0.87 0.00 0.00 176.83 177.27 3pck n GLY 467 N 1.41 -2.26 0.22 -0.77 0.00 -1.26 -2.54 105.19 99.99 3pck n GLY 467 Ca -0.02 -1.53 0.15 0.00 0.00 0.00 0.00 46.02 44.63 3pck n GLY 467 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3pck h PRO 468 N 0.00 0.00 -3.39 1.61 0.13 -1.94 -3.46 132.00 124.95 3pck h PRO 468 Ca 0.00 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.09 3pck h PRO 468 Cb 0.00 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.07 3pck h PRO 468 CO 0.00 0.00 0.05 -1.54 -0.23 0.00 0.00 178.00 176.28 3pck s SER 469 N -5.19 -0.01 0.57 1.44 1.04 -1.26 -3.52 113.70 106.76 3pck s SER 469 Ca 0.02 -0.93 0.35 0.00 0.48 0.00 0.00 55.95 55.87 3pck s SER 469 Cb 0.09 0.69 1.60 0.00 0.10 0.00 0.00 66.02 68.50 3pck s SER 469 CO 0.50 -1.32 2.08 0.16 0.98 0.00 0.00 173.24 175.63 3pck h ILE 470 N 2.11 0.11 -0.01 -1.02 3.07 -1.54 -1.20 117.51 119.04 3pck h ILE 470 Ca -0.25 -0.44 -0.13 0.00 1.55 0.00 0.00 64.86 65.59 3pck h ILE 470 Cb 1.25 1.39 -0.02 0.00 -0.27 0.00 0.00 36.82 39.17 3pck h ILE 470 CO 0.33 0.03 -0.58 0.00 -1.05 0.00 0.00 178.15 176.88 3pck h ALA 471 N 1.97 1.02 0.00 0.16 0.00 -1.79 -3.24 119.26 117.37 3pck h ALA 471 Ca -0.00 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.38 3pck h ALA 471 Cb 0.39 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3pck h ALA 471 CO 0.00 0.73 -1.05 0.25 0.00 0.00 0.00 179.25 179.18 3pck n THR 472 N -3.85 0.27 -1.68 0.00 -2.24 -0.49 -4.94 114.28 101.34 3pck n THR 472 Ca -0.01 -0.33 -0.45 0.00 -2.27 0.00 0.00 64.05 60.99 3pck n THR 472 Cb 0.59 0.04 -0.03 0.00 -2.10 0.00 0.00 70.33 68.83 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 -2.15 2.16 -3.87 -0.78 3.00 -0.99 -4.75 118.16 110.78 3pck n LYS 473 Ca 0.01 0.77 -0.11 0.00 -0.00 0.00 0.00 58.31 58.98 3pck n LYS 473 Cb 0.47 -2.48 -0.11 0.00 0.00 0.00 0.00 35.03 32.91 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 0.29 1.62 -0.09 3.14 2.96 -0.06 -5.02 118.68 121.52 3pck s LEU 474 Ca 0.71 -0.12 0.04 0.00 -0.22 0.00 0.00 54.13 54.54 3pck s LEU 474 Cb -0.64 0.55 0.00 0.00 0.50 0.00 0.00 46.19 46.60 3pck s LEU 474 CO 0.46 -0.28 -0.23 -0.63 -1.32 0.00 0.00 176.35 174.35 3pck s ILE 475 N -1.02 1.95 0.00 6.68 1.01 -1.26 -0.41 121.20 128.15 3pck s ILE 475 Ca -0.11 -0.96 0.00 0.00 0.00 0.00 0.00 60.65 59.58 3pck s ILE 475 Cb -0.06 -1.69 0.00 0.00 0.01 0.00 0.00 42.46 40.72 3pck s ILE 475 CO 0.01 0.54 0.00 1.07 0.00 0.00 0.00 174.94 176.56 3pck n THR 476 N 3.51 0.00 -3.83 2.92 5.66 0.15 -5.01 114.28 117.68 3pck n THR 476 Ca -0.19 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 60.69 3pck n THR 476 Cb 0.53 0.00 -0.12 0.00 -1.55 0.00 0.00 70.33 69.19 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 -0.37 0.21 -0.15 1.09 -0.21 -1.26 -1.00 119.66 117.96 3pck s GLN 477 Ca 0.00 0.12 -0.08 0.00 0.02 0.00 0.00 55.36 55.41 3pck s GLN 477 Cb 0.00 0.10 -0.04 0.00 1.00 0.00 0.00 33.01 34.06 3pck s GLN 477 CO 0.00 -0.03 0.14 -1.17 -2.12 0.00 0.00 175.29 172.10 3pck s LEU 478 N -0.12 4.31 0.35 2.90 0.20 -0.05 -4.80 118.68 121.47 3pck s LEU 478 Ca -0.02 0.37 0.09 0.00 0.69 0.00 0.00 54.13 55.26 3pck s LEU 478 Cb -0.02 -2.08 -0.06 0.00 -0.43 0.00 0.00 46.19 43.61 3pck s LEU 478 CO 0.00 0.32 -0.01 -0.31 -0.29 0.00 0.00 176.35 176.06 3pck s TYR 479 N -0.46 2.51 -0.12 5.38 2.02 0.82 -1.83 117.35 125.67 3pck s TYR 479 Ca 0.12 -0.47 -0.03 0.00 -0.37 0.00 0.00 57.07 56.33 3pck s TYR 479 Cb -0.12 -1.49 -0.03 0.00 -0.40 0.00 0.00 41.96 39.93 3pck s TYR 479 CO 0.02 0.49 -0.02 -0.06 -1.57 0.00 0.00 175.55 174.41 3pck s PHE 480 N -2.55 3.09 -0.10 2.71 0.40 -1.25 -0.58 117.98 119.69 3pck s PHE 480 Ca 0.34 -0.02 -0.39 0.00 -0.60 0.00 0.00 56.93 56.26 3pck s PHE 480 Cb 0.01 -1.87 -0.17 0.00 0.51 0.00 0.00 43.02 41.50 3pck s PHE 480 CO 0.19 0.23 1.45 -1.91 0.70 0.00 0.00 175.22 175.88 3pck n GLU 481 N 2.80 0.85 0.00 0.44 2.13 -0.57 -1.85 120.64 124.44 3pck n GLU 481 Ca -0.18 0.31 0.00 0.00 0.66 0.00 0.00 57.16 57.95 3pck n GLU 481 Cb 0.53 -1.93 0.00 0.00 0.27 0.00 0.00 31.44 30.31 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 3.02 2.21 3.59 8.31 0.00 -1.26 -5.00 105.19 116.07 3pck n GLY 482 Ca 0.22 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.75 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 2.85 0.09 1.61 -0.08 -0.77 -4.84 116.55 115.40 3pck n ASP 483 Ca 0.00 0.69 0.10 0.00 -1.51 0.00 0.00 54.79 54.07 3pck n ASP 483 Cb 0.00 -1.33 0.43 0.00 2.34 0.00 0.00 41.12 42.56 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 7.32 0.13 0.20 -0.67 -0.04 -1.26 -2.48 135.00 138.21 3pck n PRO 484 Ca 0.31 0.37 0.09 0.00 -0.04 0.00 0.00 63.50 64.22 3pck n PRO 484 Cb 0.27 -1.75 0.26 0.00 -0.04 0.00 0.00 33.50 32.24 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 -0.43 1.53 3.38 -1.95 -3.38 115.31 114.47 3pck h LEU 485 Ca 0.00 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.03 3pck h LEU 485 Cb 0.33 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.00 3pck h LEU 485 CO 0.00 0.22 -0.50 0.40 0.09 0.00 0.00 178.44 178.65 3pck h ILE 486 N 0.00 0.04 0.00 1.22 2.04 -1.86 -1.81 117.51 117.15 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 1.00 0.04 0.00 0.00 -0.74 0.00 0.00 36.82 37.12 3pck h ILE 486 CO 0.03 0.00 0.00 -2.65 0.00 0.00 0.00 178.15 175.53 3pck n PRO 487 N -5.39 0.15 0.00 2.37 -0.02 -1.26 -2.72 135.00 128.12 3pck n PRO 487 Ca -0.02 0.47 0.11 0.00 -2.02 0.00 0.00 63.50 62.04 3pck n PRO 487 Cb 0.35 -1.84 0.02 0.00 -0.02 0.00 0.00 33.50 32.01 3pck n PRO 487 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 3pck n MET 488 N -2.12 0.41 -2.69 -0.52 2.81 -0.69 -4.94 117.12 109.37 3pck n MET 488 Ca 0.01 -0.32 -0.43 0.00 -1.81 0.00 0.00 57.70 55.16 3pck n MET 488 Cb 0.15 -1.49 -0.02 0.00 -0.71 0.00 0.00 33.22 31.15 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 7.38 0.08 -0.27 0.00 0.11 -1.90 0.43 132.00 137.83 3pck h PRO 490 Ca -0.22 -0.02 -0.16 0.00 0.11 0.00 0.00 66.00 65.71 3pck h PRO 490 Cb 1.09 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 3pck h PRO 490 CO 0.94 0.25 -0.44 0.82 -0.21 0.00 0.00 178.00 179.35 3pck h ILE 491 N 0.07 1.30 -0.16 4.15 2.04 -1.92 -2.55 117.51 120.44 3pck h ILE 491 Ca 0.01 -1.64 -0.01 0.00 1.00 0.00 0.00 64.86 64.23 3pck h ILE 491 Cb 0.34 1.68 -0.01 0.00 -0.74 0.00 0.00 36.82 38.10 3pck h ILE 491 CO 0.02 0.53 0.08 0.58 0.00 0.00 0.00 178.15 179.36 3pck h VAL 492 N 0.52 1.12 0.00 1.67 2.07 -1.69 -2.13 116.25 117.80 3pck h VAL 492 Ca 0.02 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 67.20 3pck h VAL 492 Cb 1.05 1.05 0.00 0.00 -1.52 0.00 0.00 31.29 31.86 3pck h VAL 492 CO 0.10 0.11 0.00 0.29 0.02 0.00 0.00 177.57 178.09 3pck n LYS 493 N -4.90 0.41 0.23 1.57 5.02 0.08 -1.91 118.16 118.65 3pck n LYS 493 Ca -0.04 0.01 0.07 0.00 -2.02 0.00 0.00 58.31 56.33 3pck n LYS 493 Cb 0.09 -1.50 0.56 0.00 -0.02 0.00 0.00 35.03 34.16 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 -3.26 4.39 4.64 -0.94 -3.38 113.55 114.99 3pck h SER 494 Ca 0.00 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 60.73 3pck h SER 494 Cb 0.01 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.02 3pck h SER 494 CO 0.00 0.19 0.63 -0.63 -0.87 0.00 0.00 176.83 176.15 3pck s ILE 495 N -4.42 4.71 0.22 0.95 1.01 -0.81 -3.85 121.20 119.02 3pck s ILE 495 Ca -0.03 1.66 0.04 0.00 0.00 0.00 0.00 60.65 62.31 3pck s ILE 495 Cb 0.15 -4.25 -0.06 0.00 0.01 0.00 0.00 42.46 38.31 3pck s ILE 495 CO 0.66 -0.23 1.53 0.00 0.00 0.00 0.00 174.94 176.90 3pck h ALA 496 N 7.80 0.79 -2.61 9.38 0.00 -1.84 -3.44 119.26 129.35 3pck h ALA 496 Ca -0.22 -0.57 -0.63 0.00 0.00 0.00 0.00 54.91 53.49 3pck h ALA 496 Cb 1.08 -0.08 -0.14 0.00 0.00 0.00 0.00 17.79 18.64 3pck h ALA 496 CO 0.94 0.76 -0.13 1.21 0.00 0.00 0.00 179.25 182.03 3pck s ASN 497 N -6.90 6.32 0.45 0.00 3.04 -1.26 -4.95 114.94 111.64 3pck s ASN 497 Ca -0.04 0.26 0.21 0.00 0.04 0.00 0.00 52.86 53.33 3pck s ASN 497 Cb 0.12 -2.25 1.19 0.00 -1.54 0.00 0.00 41.25 38.77 3pck s ASN 497 CO 0.80 -0.29 1.88 1.55 -3.04 0.00 0.00 177.10 178.00 3pck h PRO 498 N 8.21 0.28 -0.09 0.43 0.13 -2.00 0.42 132.00 139.38 3pck h PRO 498 Ca -0.30 -0.02 -0.10 0.00 -0.87 0.00 0.00 66.00 64.71 3pck h PRO 498 Cb 1.15 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.20 3pck h PRO 498 CO 0.70 0.18 -0.41 0.93 -0.23 0.00 0.00 178.00 179.17 3pck h GLU 499 N 0.29 0.19 -0.33 0.86 5.08 -1.98 -2.71 114.58 115.97 3pck h GLU 499 Ca 0.43 -0.09 -0.08 0.00 -1.00 0.00 0.00 59.36 58.61 3pck h GLU 499 Cb 1.22 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.46 3pck h GLU 499 CO -0.12 0.58 -0.11 0.00 -1.00 0.00 0.00 179.01 178.37 3pck h ALA 500 N 1.41 0.46 -0.76 3.43 0.00 -0.53 -3.05 119.26 120.23 3pck h ALA 500 Ca 0.01 -0.31 0.14 0.00 0.00 0.00 0.00 54.91 54.75 3pck h ALA 500 Cb 0.80 -0.12 -0.09 0.00 0.00 0.00 0.00 17.79 18.38 3pck h ALA 500 CO 0.06 0.33 0.31 0.28 0.00 0.00 0.00 179.25 180.23 3pck h VAL 501 N 0.44 0.67 -0.99 0.00 2.07 -1.29 -1.72 116.25 115.44 3pck h VAL 501 Ca 0.08 -0.16 0.16 0.00 0.82 0.00 0.00 66.70 67.60 3pck h VAL 501 Cb 0.62 0.17 -0.09 0.00 -1.52 0.00 0.00 31.29 30.46 3pck h VAL 501 CO 0.04 0.08 0.62 1.56 0.02 0.00 0.00 177.57 179.89 3pck h GLN 502 N 0.46 0.82 0.00 1.57 1.08 -1.37 -1.36 115.11 116.32 3pck h GLN 502 Ca 0.41 -0.05 -0.00 0.00 -1.45 0.00 0.00 58.65 57.56 3pck h GLN 502 Cb 0.61 -0.19 -0.00 0.00 -0.05 0.00 0.00 27.48 27.86 3pck h GLN 502 CO -0.39 0.55 -0.00 1.96 -0.95 0.00 0.00 178.83 179.99 3pck h GLN 503 N 0.85 0.00 -0.08 1.46 4.20 -1.36 -2.01 115.11 118.17 3pck h GLN 503 Ca 0.53 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.24 3pck h GLN 503 Cb 0.71 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.49 3pck h GLN 503 CO -0.31 0.00 0.00 1.28 -0.67 0.00 0.00 178.83 179.13 3pck n LEU 504 N -3.09 2.43 -4.57 1.46 4.77 -0.51 -4.88 117.00 112.61 3pck n LEU 504 Ca -0.02 -0.86 -0.39 0.00 -0.03 0.00 0.00 56.01 54.70 3pck n LEU 504 Cb 0.13 -0.04 -0.10 0.00 -2.33 0.00 0.00 43.42 41.08 3pck n LEU 504 CO 0.22 0.43 -0.06 -0.63 -1.33 0.00 0.00 177.39 176.02 3pck s ILE 505 N -1.92 5.24 0.31 -0.08 1.01 -0.76 -0.13 121.20 124.87 3pck s ILE 505 Ca 0.33 0.13 -0.28 0.00 0.00 0.00 0.00 60.65 60.83 3pck s ILE 505 Cb 0.20 -3.68 -0.09 0.00 0.01 0.00 0.00 42.46 38.90 3pck s ILE 505 CO 0.31 0.09 1.03 0.00 0.00 0.00 0.00 174.94 176.37 3pck s ALA 506 N 1.88 3.28 -0.10 9.38 0.00 0.25 -4.85 121.76 131.60 3pck s ALA 506 Ca 0.10 0.73 -0.03 0.00 0.00 0.00 0.00 51.96 52.76 3pck s ALA 506 Cb -0.16 -3.27 -0.03 0.00 0.00 0.00 0.00 23.12 19.66 3pck s ALA 506 CO 0.11 -0.04 0.02 0.15 0.00 0.00 0.00 175.76 176.00 3pck s LYS 507 N -1.74 3.15 0.21 0.00 -0.14 -0.64 -1.51 119.74 119.07 3pck s LYS 507 Ca 0.48 -0.38 -0.32 0.00 -1.36 0.00 0.00 55.97 54.39 3pck s LYS 507 Cb -0.26 -2.88 -0.13 0.00 -1.68 0.00 0.00 37.83 32.88 3pck s LYS 507 CO 0.33 0.65 1.57 -0.11 -0.76 0.00 0.00 175.35 177.03 3pck n LEU 508 N 2.30 3.49 -3.75 3.17 7.94 -1.26 -0.89 117.00 128.00 3pck n LEU 508 Ca -0.19 1.10 -0.29 0.00 -1.11 0.00 0.00 56.01 55.53 3pck n LEU 508 Cb 0.54 -1.48 -0.13 0.00 0.53 0.00 0.00 43.42 42.88 3pck n LEU 508 CO 0.29 -0.17 -0.20 -0.62 -1.11 0.00 0.00 177.39 175.58 3pck s ASP 509 N 0.73 3.74 0.50 1.96 2.15 0.16 -4.84 116.67 121.07 3pck s ASP 509 Ca 0.73 -2.99 0.22 0.00 0.43 0.00 0.00 52.55 50.93 3pck s ASP 509 Cb -0.61 -1.19 1.33 0.00 -0.30 0.00 0.00 42.92 42.16 3pck s ASP 509 CO 0.42 -0.21 2.08 0.24 -0.17 0.00 0.00 175.17 177.52 3pck h MET 510 N 6.29 0.00 0.00 4.34 2.86 -1.92 -2.60 114.93 123.89 3pck h MET 510 Ca 0.04 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.63 3pck h MET 510 Cb 0.88 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.54 3pck h MET 510 CO 0.55 0.12 -0.26 -0.91 1.06 0.00 0.00 176.91 177.47 3pck h ASN 511 N 0.00 0.00 0.27 1.22 2.35 -1.94 -3.08 115.58 114.40 3pck h ASN 511 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3pck h ASN 511 Cb 0.25 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.62 3pck h ASN 511 CO 0.02 0.26 -0.97 -3.20 -1.65 0.00 0.00 177.43 171.89 3pck n ASN 512 N -4.05 0.68 -4.74 5.81 5.15 -0.99 -4.97 115.26 112.16 3pck n ASN 512 Ca -0.02 -0.48 -0.32 0.00 -0.60 0.00 0.00 54.58 53.16 3pck n ASN 512 Cb 0.33 0.83 0.10 0.00 -0.53 0.00 0.00 39.78 40.50 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 -3.11 2.13 -0.36 5.20 0.00 -1.17 -4.79 121.76 119.67 3pck s ALA 513 Ca 0.06 0.54 -0.08 0.00 0.00 0.00 0.00 51.96 52.48 3pck s ALA 513 Cb 0.16 -3.36 0.04 0.00 0.00 0.00 0.00 23.12 19.95 3pck s ALA 513 CO 0.81 -1.86 0.15 -0.80 0.00 0.00 0.00 175.76 174.06 3pck s ASN 514 N -2.74 5.46 0.41 0.00 0.01 -0.00 -5.01 114.94 113.07 3pck s ASN 514 Ca 0.67 -1.14 -0.26 0.00 -0.71 0.00 0.00 52.86 51.42 3pck s ASN 514 Cb -0.22 -1.92 -0.10 0.00 0.41 0.00 0.00 41.25 39.42 3pck s ASN 514 CO 0.50 -0.36 1.30 -2.65 -1.51 0.00 0.00 177.10 174.37 3pck n PRO 515 N 4.87 2.01 -1.37 -0.60 -0.02 -1.26 -0.89 135.00 137.74 3pck n PRO 515 Ca -0.12 0.71 -0.13 0.00 -2.02 0.00 0.00 63.50 61.95 3pck n PRO 515 Cb 0.45 -2.41 -0.05 0.00 -0.02 0.00 0.00 33.50 31.46 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 0.09 -1.45 0.00 -0.52 2.81 -1.26 -4.75 117.12 112.05 3pck n MET 516 Ca 0.06 0.93 0.00 0.00 -1.81 0.00 0.00 57.70 56.88 3pck n MET 516 Cb 0.39 -5.23 0.00 0.00 -0.71 0.00 0.00 33.22 27.67 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 -0.97 0.00 -3.66 7.83 -0.08 -0.22 -5.16 116.55 114.29 3pck n ASP 517 Ca -0.13 0.00 -0.13 0.00 -1.51 0.00 0.00 54.79 53.03 3pck n ASP 517 Cb 0.56 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 43.96 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 -2.05 2.90 -0.02 0.00 1.43 -0.93 -0.82 118.68 119.18 3pck s LEU 519 Ca -0.05 -0.27 -0.10 0.00 -1.03 0.00 0.00 54.13 52.68 3pck s LEU 519 Cb -0.01 -1.95 0.01 0.00 0.03 0.00 0.00 46.19 44.27 3pck s LEU 519 CO -0.03 -2.12 0.21 0.00 0.23 0.00 0.00 176.35 174.63 3pck s ALA 520 N -3.34 -0.51 0.06 4.21 0.00 -1.26 -1.14 121.76 119.79 3pck s ALA 520 Ca 0.69 0.16 0.08 0.00 0.00 0.00 0.00 51.96 52.89 3pck s ALA 520 Cb -0.04 -0.00 -0.03 0.00 0.00 0.00 0.00 23.12 23.05 3pck s ALA 520 CO 0.47 -0.20 -0.21 0.71 0.00 0.00 0.00 175.76 176.52 3pck s TYR 521 N -1.05 1.82 -0.17 0.00 1.51 0.58 0.40 117.35 120.43 3pck s TYR 521 Ca -0.11 -0.39 -0.02 0.00 -1.01 0.00 0.00 57.07 55.54 3pck s TYR 521 Cb -0.06 -1.05 -0.01 0.00 -0.11 0.00 0.00 41.96 40.73 3pck s TYR 521 CO 0.02 0.13 -0.09 0.50 -1.11 0.00 0.00 175.55 175.00 3pck s ARG 522 N -1.42 3.39 -0.23 -0.62 6.06 -0.07 -1.60 118.95 124.46 3pck s ARG 522 Ca 0.07 -0.66 -0.04 0.00 -2.50 0.00 0.00 55.73 52.60 3pck s ARG 522 Cb -0.09 -2.79 0.08 0.00 0.06 0.00 0.00 34.95 32.20 3pck s ARG 522 CO 0.03 0.04 0.11 0.12 -2.50 0.00 0.00 175.30 173.10 3pck s PHE 523 N 0.81 0.28 0.01 5.12 5.36 0.04 -1.62 117.98 127.98 3pck s PHE 523 Ca -0.03 -0.59 -0.12 0.00 -0.96 0.00 0.00 56.93 55.22 3pck s PHE 523 Cb -0.15 -0.80 -0.06 0.00 -0.34 0.00 0.00 43.02 41.67 3pck s PHE 523 CO 0.01 -0.66 0.37 -0.51 -1.46 0.00 0.00 175.22 172.97 3pck s ASP 524 N 2.11 6.71 -0.04 6.13 1.01 -1.26 -3.84 116.67 127.49 3pck s ASP 524 Ca 0.05 0.85 0.07 0.00 0.71 0.00 0.00 52.55 54.23 3pck s ASP 524 Cb -0.16 -2.21 -0.01 0.00 1.01 0.00 0.00 42.92 41.55 3pck s ASP 524 CO -0.22 0.29 -0.25 -0.63 0.21 0.00 0.00 175.17 174.57 3pck s ILE 525 N -1.17 2.09 -0.20 0.77 1.01 0.33 -4.95 121.20 119.07 3pck s ILE 525 Ca 0.26 -1.07 0.01 0.00 0.00 0.00 0.00 60.65 59.85 3pck s ILE 525 Cb -0.15 -1.74 0.03 0.00 0.01 0.00 0.00 42.46 40.61 3pck s ILE 525 CO 0.14 0.57 -0.17 -0.69 0.00 0.00 0.00 174.94 174.80 3pck s VAL 526 N -0.36 2.16 0.27 2.92 1.01 -1.25 -1.01 120.40 124.13 3pck s VAL 526 Ca 0.02 -1.11 0.03 0.00 0.00 0.00 0.00 61.98 60.92 3pck s VAL 526 Cb -0.12 -2.01 -0.03 0.00 0.00 0.00 0.00 36.38 34.22 3pck s VAL 526 CO 0.02 0.38 0.42 -0.76 0.00 0.00 0.00 175.10 175.15 3pck s LEU 527 N 1.25 4.21 0.18 3.92 1.43 0.13 -4.91 118.68 124.89 3pck s LEU 527 Ca 0.01 0.24 -0.32 0.00 -1.03 0.00 0.00 54.13 53.03 3pck s LEU 527 Cb -0.15 -3.04 -0.16 0.00 0.03 0.00 0.00 46.19 42.86 3pck s LEU 527 CO -0.10 -0.13 1.00 0.54 0.23 0.00 0.00 176.35 177.89 3pck n ARG 528 N -1.40 0.83 -2.03 1.70 1.74 -1.26 -1.03 116.66 115.21 3pck n ARG 528 Ca -0.07 0.30 -0.39 0.00 -0.77 0.00 0.00 57.85 56.92 3pck n ARG 528 Cb 0.56 -1.68 0.00 0.00 -1.02 0.00 0.00 32.46 30.33 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 2.90 -0.16 -0.13 0.00 -1.26 -4.35 107.32 104.03 3pck s GLY 529 Ca 0.71 1.22 -0.02 0.00 0.00 0.00 0.00 44.72 46.64 3pck s GLY 529 CO 0.55 1.78 -0.09 1.62 0.00 0.00 0.00 173.10 176.96 3pck s GLN 530 N -2.41 3.42 0.28 2.90 0.74 -1.26 -0.95 119.66 122.39 3pck s GLN 530 Ca 0.60 -0.64 0.03 0.00 0.05 0.00 0.00 55.36 55.40 3pck s GLN 530 Cb -0.37 -2.77 -0.06 0.00 1.10 0.00 0.00 33.01 30.90 3pck s GLN 530 CO 0.47 0.11 0.04 -0.98 -0.55 0.00 0.00 175.29 174.38 3pck s ARG 531 N 0.65 1.51 0.36 1.67 1.70 -0.28 -4.99 118.95 119.58 3pck s ARG 531 Ca -0.05 -1.81 -0.09 0.00 -0.47 0.00 0.00 55.73 53.31 3pck s ARG 531 Cb -0.15 -0.71 -0.06 0.00 -0.57 0.00 0.00 34.95 33.46 3pck s ARG 531 CO 0.02 -0.16 0.70 -1.59 -1.08 0.00 0.00 175.30 173.19 3pck s LYS 532 N -3.90 3.75 0.50 3.89 -2.85 -1.26 -0.25 119.74 119.62 3pck s LYS 532 Ca 0.34 0.35 -0.20 0.00 -1.00 0.00 0.00 55.97 55.45 3pck s LYS 532 Cb 0.07 -2.47 -0.08 0.00 -2.06 0.00 0.00 37.83 33.29 3pck s LYS 532 CO 0.13 0.06 1.07 0.95 0.10 0.00 0.00 175.35 177.66 3pck s THR 533 N -2.24 3.60 -0.10 3.79 -4.23 -1.19 -4.73 115.64 110.54 3pck s THR 533 Ca 0.49 1.01 -0.12 0.00 -1.18 0.00 0.00 61.69 61.89 3pck s THR 533 Cb -0.10 -3.42 0.03 0.00 1.34 0.00 0.00 72.50 70.35 3pck s THR 533 CO 0.29 -0.20 0.33 -1.38 -0.54 0.00 0.00 174.62 173.12 3pck s HIS 534 N -1.89 -0.31 -1.08 3.99 -3.43 -1.26 -4.92 115.29 106.37 3pck s HIS 534 Ca 0.68 0.72 -0.11 0.00 -0.80 0.00 0.00 55.06 55.56 3pck s HIS 534 Cb -0.19 0.12 0.10 0.00 -1.43 0.00 0.00 32.58 31.18 3pck s HIS 534 CO 0.22 -0.23 0.36 1.19 -2.00 0.00 0.00 174.74 174.29 3pck n PHE 535 N 2.46 -1.65 1.61 0.38 3.72 -1.26 -5.25 117.46 117.48 3pck n PHE 535 Ca -0.15 0.39 0.13 0.00 -0.05 0.00 0.00 57.45 57.76 3pck n PHE 535 Cb 0.57 -2.03 0.76 0.00 -0.94 0.00 0.00 39.48 37.84 3pck n PHE 535 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10