#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3pch s ALA 302 N 0.00 2.86 0.04 0.55 0.00 -1.26 -5.07 121.76 118.87 3pch s ALA 302 Ca 0.00 0.29 0.06 0.00 0.00 0.00 0.00 51.96 52.31 3pch s ALA 302 Cb 0.00 -3.19 -0.02 0.00 0.00 0.00 0.00 23.12 19.91 3pch s ALA 302 CO 0.00 -0.63 -0.17 -0.65 0.00 0.00 0.00 175.76 174.31 3pch s GLN 303 N -4.15 1.16 -0.90 0.00 -0.21 -1.26 -5.09 119.66 109.21 3pch s GLN 303 Ca 0.61 -0.83 -0.22 0.00 0.02 0.00 0.00 55.36 54.95 3pch s GLN 303 Cb -0.14 -1.21 0.08 0.00 1.00 0.00 0.00 33.01 32.74 3pch s GLN 303 CO 0.36 0.31 1.23 0.34 -2.12 0.00 0.00 175.29 175.41 3pch s ASP 304 N -1.11 6.46 0.00 5.90 2.15 -1.26 -4.67 116.67 124.15 3pch s ASP 304 Ca 0.05 -1.50 0.00 0.00 0.43 0.00 0.00 52.55 51.52 3pch s ASP 304 Cb -0.08 -2.48 0.00 0.00 -0.30 0.00 0.00 42.92 40.06 3pch s ASP 304 CO 0.01 -1.36 0.43 -0.46 -0.17 0.00 0.00 175.17 173.62 3pch n ASN 305 N 7.84 0.85 -4.16 -0.34 0.23 -1.26 -5.02 115.26 113.40 3pch n ASN 305 Ca 0.20 -1.05 -0.10 0.00 -0.53 0.00 0.00 54.58 53.10 3pch n ASN 305 Cb 0.49 0.00 -0.10 0.00 -2.08 0.00 0.00 39.78 38.09 3pch n ASN 305 CO 0.00 0.00 0.00 -0.44 -0.93 0.00 0.00 177.26 175.89 3pch s SER 306 N -0.05 1.01 0.04 0.53 0.01 -1.26 -3.58 113.70 110.40 3pch s SER 306 Ca 0.00 -1.02 0.06 0.00 1.31 0.00 0.00 55.95 56.29 3pch s SER 306 Cb 0.00 0.12 -0.02 0.00 0.21 0.00 0.00 66.02 66.33 3pch s SER 306 CO 0.00 -0.50 -0.16 -0.13 0.41 0.00 0.00 173.24 172.86 3pch s ARG 307 N -3.86 1.08 -0.10 12.44 1.81 0.45 -4.85 118.95 125.91 3pch s ARG 307 Ca 0.12 -0.81 -0.01 0.00 -1.72 0.00 0.00 55.73 53.31 3pch s ARG 307 Cb 0.06 -1.12 -0.03 0.00 -0.45 0.00 0.00 34.95 33.41 3pch s ARG 307 CO -0.05 0.28 -0.06 -0.06 -0.68 0.00 0.00 175.30 174.73 3pch s PHE 308 N -0.82 2.97 0.27 -0.53 0.40 -1.26 -1.27 117.98 117.74 3pch s PHE 308 Ca 0.03 -0.11 -0.30 0.00 -0.60 0.00 0.00 56.93 55.96 3pch s PHE 308 Cb -0.08 -1.80 -0.13 0.00 0.51 0.00 0.00 43.02 41.52 3pch s PHE 308 CO 0.01 0.19 1.33 0.28 0.70 0.00 0.00 175.22 177.74 3pch n VAL 309 N 2.70 1.34 -1.77 -0.44 0.31 0.02 -4.90 118.33 115.59 3pch n VAL 309 Ca -0.18 -0.33 -0.41 0.00 -0.01 0.00 0.00 64.34 63.41 3pch n VAL 309 Cb 0.53 -1.45 -0.01 0.00 -0.91 0.00 0.00 33.84 32.00 3pch n VAL 309 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 3pch s ILE 310 N -0.44 2.02 0.53 2.52 -1.09 -1.26 -4.70 121.20 118.79 3pch s ILE 310 Ca 0.64 0.02 -0.20 0.00 -2.23 0.00 0.00 60.65 58.87 3pch s ILE 310 Cb -0.64 -3.01 -0.06 0.00 -1.58 0.00 0.00 42.46 37.17 3pch s ILE 310 CO 0.54 0.00 1.17 -0.13 -1.23 0.00 0.00 174.94 175.30 3pch s ARG 311 N -1.18 3.35 -0.63 2.79 0.52 -1.26 -4.97 118.95 117.57 3pch s ARG 311 Ca 0.59 1.74 -0.16 0.00 -0.52 0.00 0.00 55.73 57.39 3pch s ARG 311 Cb -0.48 -2.10 0.15 0.00 0.52 0.00 0.00 34.95 33.04 3pch s ARG 311 CO 0.55 -0.88 0.60 0.34 0.02 0.00 0.00 175.30 175.93 3pch s ASP 312 N -1.57 6.35 0.00 0.23 -1.08 -1.26 -4.90 116.67 114.44 3pch s ASP 312 Ca 0.71 -2.00 0.16 0.00 -0.52 0.00 0.00 52.55 50.90 3pch s ASP 312 Cb -0.28 -2.22 0.87 0.00 -1.46 0.00 0.00 42.92 39.83 3pch s ASP 312 CO 0.32 -0.81 1.40 0.54 0.52 0.00 0.00 175.17 177.13 3pch n ARG 313 N 5.04 0.36 0.02 4.34 1.74 -1.26 -0.81 116.66 126.09 3pch n ARG 313 Ca -0.05 0.07 0.11 0.00 -0.77 0.00 0.00 57.85 57.21 3pch n ARG 313 Cb 0.42 -1.50 -0.12 0.00 -1.02 0.00 0.00 32.46 30.24 3pch n ARG 313 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3pch n ASN 314 N -1.14 0.25 -0.02 0.55 3.02 -1.26 -4.33 115.26 112.33 3pch n ASN 314 Ca 0.10 0.05 -0.18 0.00 -0.03 0.00 0.00 54.58 54.52 3pch n ASN 314 Cb 0.09 1.55 -0.14 0.00 -0.61 0.00 0.00 39.78 40.67 3pch n ASN 314 CO 0.00 0.00 0.00 -0.25 -2.62 0.00 0.00 177.26 174.39 3pch h TRP 315 N 0.00 0.25 -4.27 3.10 2.91 -1.38 -3.44 115.95 113.12 3pch h TRP 315 Ca 0.00 -0.18 -0.50 0.00 1.13 0.00 0.00 58.89 59.33 3pch h TRP 315 Cb 0.98 -0.01 0.12 0.00 -0.51 0.00 0.00 29.16 29.74 3pch h TRP 315 CO 0.00 1.24 0.32 -1.01 -1.03 0.00 0.00 178.44 177.96 3pch s HIS 316 N -2.34 2.70 0.71 2.65 3.76 -0.83 -4.69 115.29 117.24 3pch s HIS 316 Ca -0.18 1.40 -0.15 0.00 -0.15 0.00 0.00 55.06 55.98 3pch s HIS 316 Cb 0.00 -3.04 0.03 0.00 1.11 0.00 0.00 32.58 30.68 3pch s HIS 316 CO 0.74 -1.77 1.17 -1.25 -0.85 0.00 0.00 174.74 172.77 3pch s PRO 317 N -4.98 2.34 0.71 8.40 0.04 -1.26 -4.79 135.00 135.46 3pch s PRO 317 Ca 0.61 1.61 -0.06 0.00 0.04 0.00 0.00 61.00 63.19 3pch s PRO 317 Cb -0.16 -1.87 0.08 0.00 0.04 0.00 0.00 34.50 32.58 3pch s PRO 317 CO 0.56 -1.65 1.02 0.15 0.04 0.00 0.00 177.00 177.12 3pch s LYS 318 N -4.02 2.05 -0.03 4.56 -0.14 -1.25 -4.96 119.74 115.95 3pch s LYS 318 Ca 0.71 -0.40 -0.25 0.00 -1.36 0.00 0.00 55.97 54.68 3pch s LYS 318 Cb -0.25 -2.19 -0.21 0.00 -1.68 0.00 0.00 37.83 33.50 3pch s LYS 318 CO 0.44 -1.31 1.16 0.00 -0.76 0.00 0.00 175.35 174.89 3pch h ALA 319 N -0.62 0.06 -2.01 5.17 0.00 -1.95 -3.42 119.26 116.49 3pch h ALA 319 Ca -0.43 -0.35 -0.65 0.00 0.00 0.00 0.00 54.91 53.48 3pch h ALA 319 Cb 1.30 -0.01 -0.15 0.00 0.00 0.00 0.00 17.79 18.94 3pch h ALA 319 CO 0.56 -0.05 0.28 -1.17 0.00 0.00 0.00 179.25 178.87 3pch s LEU 320 N -8.88 4.50 -0.47 0.00 2.96 -1.26 -4.76 118.68 110.77 3pch s LEU 320 Ca -0.16 -0.52 0.04 0.00 -0.22 0.00 0.00 54.13 53.27 3pch s LEU 320 Cb 0.02 -2.69 0.17 0.00 0.50 0.00 0.00 46.19 44.18 3pch s LEU 320 CO 0.71 -0.99 0.36 0.42 -1.32 0.00 0.00 176.35 175.53 3pch s THR 321 N 3.20 0.90 0.50 3.68 -4.23 -1.26 -5.02 115.64 113.40 3pch s THR 321 Ca 0.23 -2.92 0.38 0.00 -1.18 0.00 0.00 61.69 58.21 3pch s THR 321 Cb -0.15 -1.62 0.59 0.00 1.34 0.00 0.00 72.50 72.66 3pch s THR 321 CO 0.17 -1.16 1.65 -0.65 -0.54 0.00 0.00 174.62 174.09 3pch h PRO 322 N 5.73 0.05 0.00 3.99 0.11 -1.94 0.23 132.00 140.17 3pch h PRO 322 Ca 0.22 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.30 3pch h PRO 322 Cb 0.88 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 31.98 3pch h PRO 322 CO 0.44 0.04 -0.10 -0.44 -0.21 0.00 0.00 178.00 177.73 3pch h ASP 323 N 0.05 0.00 -3.30 -2.05 3.32 -1.95 -3.04 116.42 109.46 3pch h ASP 323 Ca 0.80 0.00 -0.77 0.00 0.02 0.00 0.00 57.03 57.08 3pch h ASP 323 Cb 2.89 0.00 -0.24 0.00 0.22 0.00 0.00 39.33 42.19 3pch h ASP 323 CO -0.19 0.10 0.50 -0.47 -1.72 0.00 0.00 179.24 177.46 3pch s TYR 324 N -4.73 3.79 0.33 4.55 5.04 0.80 -4.84 117.35 122.29 3pch s TYR 324 Ca -0.04 -2.14 0.09 0.00 -2.44 0.00 0.00 57.07 52.53 3pch s TYR 324 Cb 0.16 -3.97 0.96 0.00 0.35 0.00 0.00 41.96 39.46 3pch s TYR 324 CO 0.66 -1.11 1.59 0.87 -1.34 0.00 0.00 175.55 176.22 3pch h LYS 325 N 7.51 0.05 0.00 4.97 1.57 -1.72 0.86 116.57 129.80 3pch h LYS 325 Ca 0.17 -0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.92 3pch h LYS 325 Cb 0.96 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 33.26 3pch h LYS 325 CO 0.96 0.03 -0.11 1.15 -0.57 0.00 0.00 179.45 180.91 3pch h THR 326 N 0.05 0.43 0.00 -0.16 2.02 -1.91 -2.23 112.91 111.11 3pch h THR 326 Ca 0.68 -0.56 -0.04 0.00 0.77 0.00 0.00 66.41 67.26 3pch h THR 326 Cb 1.57 1.39 -0.01 0.00 -1.74 0.00 0.00 68.15 69.36 3pch h THR 326 CO -0.82 0.10 -0.19 0.77 0.37 0.00 0.00 175.52 175.75 3pch h SER 327 N 0.00 0.00 0.08 4.18 4.64 -1.10 -2.96 113.55 118.39 3pch h SER 327 Ca -0.00 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 61.34 3pch h SER 327 Cb 0.38 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.42 3pch h SER 327 CO 0.01 0.19 -0.48 0.40 -0.87 0.00 0.00 176.83 176.09 3pch h ILE 328 N 0.00 0.08 0.00 0.95 2.04 -1.52 -2.57 117.51 116.49 3pch h ILE 328 Ca -0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 3pch h ILE 328 Cb 0.41 0.08 0.00 0.00 -0.74 0.00 0.00 36.82 36.57 3pch h ILE 328 CO 0.03 0.00 -0.02 0.00 0.00 0.00 0.00 178.15 178.15 3pch h ALA 329 N -0.31 0.99 -0.72 1.87 0.00 -1.75 -3.31 119.26 116.04 3pch h ALA 329 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.61 3pch h ALA 329 Cb 0.72 0.00 -0.19 0.00 0.00 0.00 0.00 17.79 18.31 3pch h ALA 329 CO -0.29 0.00 0.33 0.54 0.00 0.00 0.00 179.25 179.83 3pch n ARG 330 N -2.57 2.59 -4.74 0.00 1.74 -1.10 -4.94 116.66 107.64 3pch n ARG 330 Ca 0.05 -3.07 -0.26 0.00 -0.77 0.00 0.00 57.85 53.81 3pch n ARG 330 Cb 0.47 -2.08 -0.15 0.00 -1.02 0.00 0.00 32.46 29.68 3pch n ARG 330 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3pch s SER 331 N -1.59 2.39 0.77 0.55 1.04 -0.99 -4.96 113.70 110.91 3pch s SER 331 Ca 0.52 -0.46 -0.13 0.00 0.48 0.00 0.00 55.95 56.36 3pch s SER 331 Cb 0.44 -0.22 0.06 0.00 0.10 0.00 0.00 66.02 66.40 3pch s SER 331 CO 0.09 0.18 1.15 -2.84 0.98 0.00 0.00 173.24 172.80 3pch s PRO 332 N -0.94 2.02 -0.02 4.02 0.02 -1.26 -4.97 135.00 133.88 3pch s PRO 332 Ca 0.07 1.53 0.13 0.00 0.02 0.00 0.00 61.00 62.75 3pch s PRO 332 Cb -0.08 -1.84 -0.20 0.00 0.02 0.00 0.00 34.50 32.40 3pch s PRO 332 CO 0.01 -1.88 0.30 0.54 -0.33 0.00 0.00 177.00 175.64 3pch n ARG 333 N -3.17 0.51 -2.75 5.54 5.12 -1.26 -4.91 116.66 115.74 3pch n ARG 333 Ca 0.12 -0.11 -0.29 0.00 -1.93 0.00 0.00 57.85 55.63 3pch n ARG 333 Cb 0.51 -1.30 -0.02 0.00 -1.16 0.00 0.00 32.46 30.50 3pch n ARG 333 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 3pch s GLN 334 N -2.87 3.69 0.41 5.56 -1.52 -1.26 -5.05 119.66 118.62 3pch s GLN 334 Ca -0.04 0.38 -0.22 0.00 -1.95 0.00 0.00 55.36 53.52 3pch s GLN 334 Cb 0.08 -2.38 -0.10 0.00 -0.22 0.00 0.00 33.01 30.40 3pch s GLN 334 CO 0.54 -0.11 0.98 0.00 -0.25 0.00 0.00 175.29 176.45 3pch s ALA 335 N -2.53 3.05 0.64 6.09 0.00 -1.26 -5.01 121.76 122.74 3pch s ALA 335 Ca 0.50 0.51 -0.18 0.00 0.00 0.00 0.00 51.96 52.79 3pch s ALA 335 Cb -0.10 -3.19 -0.01 0.00 0.00 0.00 0.00 23.12 19.81 3pch s ALA 335 CO 0.37 0.01 1.22 -0.51 0.00 0.00 0.00 175.76 176.84 3pch s LEU 336 N -2.92 3.55 -0.28 0.00 1.43 -1.26 -4.98 118.68 114.21 3pch s LEU 336 Ca 0.60 2.39 -0.13 0.00 -1.03 0.00 0.00 54.13 55.96 3pch s LEU 336 Cb -0.14 -4.60 -0.04 0.00 0.03 0.00 0.00 46.19 41.44 3pch s LEU 336 CO 0.19 -1.82 0.27 -0.69 0.23 0.00 0.00 176.35 174.53 3pch s VAL 337 N -1.70 5.25 0.22 -1.59 1.01 -1.26 -5.06 120.40 117.26 3pch s VAL 337 Ca 0.77 0.29 -0.30 0.00 0.00 0.00 0.00 61.98 62.74 3pch s VAL 337 Cb -0.31 -3.62 -0.08 0.00 0.00 0.00 0.00 36.38 32.37 3pch s VAL 337 CO 0.37 0.18 0.97 -0.44 0.00 0.00 0.00 175.10 176.19 3pch s SER 338 N 1.71 7.55 0.01 3.32 0.01 -1.26 -5.06 113.70 119.98 3pch s SER 338 Ca 0.10 1.97 0.00 0.00 1.31 0.00 0.00 55.95 59.34 3pch s SER 338 Cb -0.16 -2.61 -0.01 0.00 0.21 0.00 0.00 66.02 63.45 3pch s SER 338 CO 0.11 0.06 -0.02 0.27 0.41 0.00 0.00 173.24 174.06 3pch s ILE 339 N -0.91 0.13 0.70 1.44 -4.36 -1.26 -5.14 121.20 111.79 3pch s ILE 339 Ca 0.43 -0.45 -0.16 0.00 -0.26 0.00 0.00 60.65 60.21 3pch s ILE 339 Cb -0.26 -0.19 0.02 0.00 1.25 0.00 0.00 42.46 43.28 3pch s ILE 339 CO 0.33 -0.20 1.24 -2.16 0.24 0.00 0.00 174.94 174.38 3pch s PRO 340 N -0.68 2.30 0.16 0.37 0.04 -1.26 -4.95 135.00 130.97 3pch s PRO 340 Ca -0.06 1.87 -0.30 0.00 0.04 0.00 0.00 61.00 62.54 3pch s PRO 340 Cb -0.05 -1.84 -0.08 0.00 0.04 0.00 0.00 34.50 32.58 3pch s PRO 340 CO -0.00 -1.74 1.21 -0.65 0.04 0.00 0.00 177.00 175.86 3pch s GLN 341 N -3.70 4.47 0.42 4.56 -0.21 -1.26 -5.01 119.66 118.92 3pch s GLN 341 Ca 0.77 1.87 0.04 0.00 0.02 0.00 0.00 55.36 58.07 3pch s GLN 341 Cb -0.32 -3.26 -0.02 0.00 1.00 0.00 0.00 33.01 30.41 3pch s GLN 341 CO 0.43 -0.15 0.15 -1.54 -2.12 0.00 0.00 175.29 172.06 3pch s SER 342 N 0.39 2.86 0.44 5.90 1.04 -1.26 -5.00 113.70 118.07 3pch s SER 342 Ca 0.55 -1.74 0.13 0.00 0.48 0.00 0.00 55.95 55.36 3pch s SER 342 Cb -0.32 0.61 1.02 0.00 0.10 0.00 0.00 66.02 67.43 3pch s SER 342 CO 0.35 -1.00 2.01 -0.29 0.98 0.00 0.00 173.24 175.29 3pch h ILE 343 N 1.73 0.95 -0.81 -1.02 2.10 -1.95 0.24 117.51 118.75 3pch h ILE 343 Ca -0.33 -0.14 0.04 0.00 1.08 0.00 0.00 64.86 65.50 3pch h ILE 343 Cb 1.27 0.52 -0.05 0.00 -1.09 0.00 0.00 36.82 37.47 3pch h ILE 343 CO 0.53 0.07 0.53 0.28 -1.08 0.00 0.00 178.15 178.48 3pch h SER 344 N 0.40 0.85 0.23 2.19 0.02 -1.95 -3.16 113.55 112.13 3pch h SER 344 Ca 0.22 -0.01 -0.32 0.00 -0.84 0.00 0.00 61.79 60.84 3pch h SER 344 Cb 0.37 -0.20 -0.06 0.00 0.14 0.00 0.00 62.40 62.65 3pch h SER 344 CO -0.06 0.59 -2.06 -0.62 -1.14 0.00 0.00 176.83 173.54 3pch n GLU 345 N -4.45 0.66 -0.11 3.45 4.71 0.21 -4.44 120.64 120.67 3pch n GLU 345 Ca 0.11 0.12 0.08 0.00 -0.01 0.00 0.00 57.16 57.45 3pch n GLU 345 Cb 0.12 -1.65 0.27 0.00 -1.01 0.00 0.00 31.44 29.17 3pch n GLU 345 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 177.13 177.47 3pch n THR 346 N -2.87 0.28 -4.49 2.62 -2.24 0.60 -2.95 114.28 105.23 3pch n THR 346 Ca -0.25 -0.34 -0.23 0.00 -2.27 0.00 0.00 64.05 60.96 3pch n THR 346 Cb 1.09 0.23 -0.11 0.00 -2.10 0.00 0.00 70.33 69.44 3pch n THR 346 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3pch s THR 347 N -1.72 1.50 -0.04 4.28 -4.23 -1.20 -4.74 115.64 109.50 3pch s THR 347 Ca 0.26 -2.03 -0.31 0.00 -1.18 0.00 0.00 61.69 58.43 3pch s THR 347 Cb 0.13 -2.77 0.12 0.00 1.34 0.00 0.00 72.50 71.33 3pch s THR 347 CO 0.19 -0.07 1.34 -0.83 -0.54 0.00 0.00 174.62 174.71 3pch s GLY 348 N -3.53 -0.36 0.57 3.99 0.00 -1.24 -0.85 107.32 105.90 3pch s GLY 348 Ca 0.35 0.57 -0.20 0.00 0.00 0.00 0.00 44.72 45.44 3pch s GLY 348 CO 0.15 1.95 1.24 2.56 0.00 0.00 0.00 173.10 179.00 3pch s PRO 349 N -2.18 3.06 -0.18 2.90 0.04 -1.26 -4.85 135.00 132.52 3pch s PRO 349 Ca 0.19 1.92 -0.01 0.00 0.04 0.00 0.00 61.00 63.14 3pch s PRO 349 Cb 0.04 -2.04 -0.00 0.00 0.04 0.00 0.00 34.50 32.54 3pch s PRO 349 CO -0.04 -1.16 -0.12 1.21 0.04 0.00 0.00 177.00 176.93 3pch s ASN 350 N -1.43 3.83 -0.20 6.66 3.84 -1.26 -4.88 114.94 121.51 3pch s ASN 350 Ca 0.75 -0.46 0.13 0.00 0.21 0.00 0.00 52.86 53.49 3pch s ASN 350 Cb -0.33 -1.62 0.72 0.00 -0.55 0.00 0.00 41.25 39.47 3pch s ASN 350 CO 0.37 0.04 1.60 0.49 -2.79 0.00 0.00 177.10 176.80 3pch n PHE 351 N 4.39 1.80 -0.08 0.43 3.72 -1.26 -4.56 117.46 121.89 3pch n PHE 351 Ca -0.19 -0.63 0.10 0.00 -0.05 0.00 0.00 57.45 56.68 3pch n PHE 351 Cb 0.51 -0.44 0.47 0.00 -0.94 0.00 0.00 39.48 39.08 3pch n PHE 351 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 3pch h SER 352 N 3.54 0.41 -0.17 4.37 0.02 -1.95 -1.91 113.55 117.86 3pch h SER 352 Ca 0.00 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 3pch h SER 352 Cb 1.77 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 64.22 3pch h SER 352 CO 0.42 0.26 0.00 1.41 -1.14 0.00 0.00 176.83 177.78 3pch n HIS 353 N -4.47 0.21 -2.21 3.45 8.25 -1.26 -4.91 115.22 114.28 3pch n HIS 353 Ca 0.09 -0.11 -0.41 0.00 -0.26 0.00 0.00 57.72 57.03 3pch n HIS 353 Cb 0.31 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.39 3pch n HIS 353 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 3pch s LEU 354 N -1.67 4.42 -0.91 2.41 2.96 -0.72 -4.92 118.68 120.25 3pch s LEU 354 Ca 0.34 2.43 -0.22 0.00 -0.22 0.00 0.00 54.13 56.46 3pch s LEU 354 Cb 0.19 -3.61 0.07 0.00 0.50 0.00 0.00 46.19 43.34 3pch s LEU 354 CO 0.29 -0.52 1.29 -0.83 -1.32 0.00 0.00 176.35 175.25 3pch s GLY 355 N 0.22 1.39 0.34 7.98 0.00 -1.26 -5.00 107.32 110.98 3pch s GLY 355 Ca 0.56 -2.21 -0.26 0.00 0.00 0.00 0.00 44.72 42.81 3pch s GLY 355 CO 0.40 2.44 1.01 -1.36 0.00 0.00 0.00 173.10 175.58 3pch s PHE 356 N 4.40 3.54 0.84 1.90 0.08 -1.26 -5.05 117.98 122.44 3pch s PHE 356 Ca 0.38 1.73 -0.11 0.00 0.12 0.00 0.00 56.93 59.05 3pch s PHE 356 Cb -0.04 -3.06 0.10 0.00 -0.57 0.00 0.00 43.02 39.44 3pch s PHE 356 CO -0.04 -0.20 1.09 0.20 -0.10 0.00 0.00 175.22 176.17 3pch s GLY 357 N -1.44 1.63 0.38 4.36 0.00 -1.26 -4.95 107.32 106.04 3pch s GLY 357 Ca 0.51 -0.06 0.16 0.00 0.00 0.00 0.00 44.72 45.33 3pch s GLY 357 CO 0.29 0.38 1.82 0.00 0.00 0.00 0.00 173.10 175.59 3pch h ALA 358 N -1.33 1.25 -0.17 3.20 0.00 -2.03 -3.06 119.26 117.12 3pch h ALA 358 Ca -0.48 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.11 3pch h ALA 358 Cb 1.27 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3pch h ALA 358 CO 0.56 0.45 0.00 0.72 0.00 0.00 0.00 179.25 180.98 3pch n HIS 359 N -3.88 0.61 -0.34 0.00 8.25 -1.26 -4.77 115.22 113.83 3pch n HIS 359 Ca -0.01 -0.92 0.13 0.00 -0.26 0.00 0.00 57.72 56.65 3pch n HIS 359 Cb 0.42 -0.26 0.33 0.00 1.12 0.00 0.00 29.99 31.61 3pch n HIS 359 CO 0.00 0.00 0.00 -0.44 0.64 0.00 0.00 176.34 176.54 3pch h ASP 360 N 1.17 0.77 -0.56 0.41 5.19 -1.82 -0.40 116.42 121.17 3pch h ASP 360 Ca 0.00 0.08 0.00 0.00 -0.62 0.00 0.00 57.03 56.49 3pch h ASP 360 Cb 1.29 -0.06 0.00 0.00 0.18 0.00 0.00 39.33 40.74 3pch h ASP 360 CO 0.14 0.30 0.00 0.00 -3.12 0.00 0.00 179.24 176.57 3pch n HIS 361 N -4.71 0.75 -3.97 4.55 1.44 -1.11 -2.23 115.22 109.94 3pch n HIS 361 Ca 0.22 -0.37 -0.30 0.00 -2.01 0.00 0.00 57.72 55.25 3pch n HIS 361 Cb 0.55 0.00 -0.14 0.00 0.12 0.00 0.00 29.99 30.52 3pch n HIS 361 CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 3pch s ASP 362 N -1.08 4.48 0.00 4.39 -1.08 -0.16 -2.15 116.67 121.08 3pch s ASP 362 Ca 0.40 -2.60 0.14 0.00 -0.52 0.00 0.00 52.55 49.97 3pch s ASP 362 Cb 0.21 -1.60 0.65 0.00 -1.46 0.00 0.00 42.92 40.72 3pch s ASP 362 CO 0.28 -0.30 1.44 0.18 0.52 0.00 0.00 175.17 177.29 3pch n LEU 363 N 3.66 0.00 0.06 -1.34 4.32 0.17 -0.76 117.00 123.10 3pch n LEU 363 Ca 0.05 0.44 -0.11 0.00 -0.02 0.00 0.00 56.01 56.36 3pch n LEU 363 Cb 0.37 -0.44 -0.01 0.00 -1.62 0.00 0.00 43.42 41.72 3pch n LEU 363 CO 0.28 -0.23 0.26 -0.07 -1.22 0.00 0.00 177.39 176.42 3pch h LEU 364 N 0.00 0.48 0.00 2.23 4.07 -1.91 -3.37 115.31 116.81 3pch h LEU 364 Ca 0.00 -0.36 0.00 0.00 0.08 0.00 0.00 57.88 57.60 3pch h LEU 364 Cb 0.22 -0.15 0.00 0.00 1.08 0.00 0.00 40.66 41.81 3pch h LEU 364 CO 0.00 1.13 -1.45 0.18 -1.08 0.00 0.00 178.44 177.22 3pch n LEU 365 N -3.78 0.03 0.00 1.67 4.77 -0.80 -4.57 117.00 114.33 3pch n LEU 365 Ca -0.05 -0.03 0.11 0.00 -0.03 0.00 0.00 56.01 56.00 3pch n LEU 365 Cb 0.78 0.00 0.62 0.00 -2.33 0.00 0.00 43.42 42.48 3pch n LEU 365 CO 0.49 0.01 0.83 -0.46 -1.33 0.00 0.00 177.39 176.93 3pch n ASN 366 N -1.85 0.00 0.04 -1.43 0.23 0.06 -5.05 115.26 107.25 3pch n ASN 366 Ca -0.02 -0.54 0.00 0.00 -0.53 0.00 0.00 54.58 53.49 3pch n ASN 366 Cb 0.28 -0.06 0.00 0.00 -2.08 0.00 0.00 39.78 37.93 3pch n ASN 366 CO 0.00 0.00 0.00 0.33 -0.93 0.00 0.00 177.26 176.66 3pch n PHE 367 N -1.06 -0.18 -0.05 -2.53 7.35 -1.26 -4.94 117.46 114.79 3pch n PHE 367 Ca 0.15 0.03 0.00 0.00 -0.76 0.00 0.00 57.45 56.87 3pch n PHE 367 Cb 0.09 0.06 0.00 0.00 0.35 0.00 0.00 39.48 39.99 3pch n PHE 367 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3pch n GLY 371 N 3.27 0.00 3.69 7.13 0.00 -1.26 -4.42 105.19 113.60 3pch n GLY 371 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 3pch n GLY 371 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3pch s LEU 372 N -0.52 3.56 0.59 0.99 2.96 -1.26 -4.84 118.68 120.16 3pch s LEU 372 Ca 0.00 0.06 -0.18 0.00 -0.22 0.00 0.00 54.13 53.78 3pch s LEU 372 Cb 0.00 -1.96 -0.03 0.00 0.50 0.00 0.00 46.19 44.70 3pch s LEU 372 CO 0.00 0.32 1.18 -2.16 -1.32 0.00 0.00 176.35 174.37 3pch s PRO 373 N -1.31 3.00 0.08 0.98 0.04 -1.26 -4.80 135.00 131.73 3pch s PRO 373 Ca 0.17 1.74 -0.25 0.00 0.04 0.00 0.00 61.00 62.71 3pch s PRO 373 Cb -0.11 -1.94 -0.06 0.00 0.04 0.00 0.00 34.50 32.42 3pch s PRO 373 CO 0.07 -1.16 0.77 0.42 0.04 0.00 0.00 177.00 177.14 3pch s ILE 374 N -1.71 4.63 0.00 0.56 1.01 -1.26 -4.97 121.20 119.46 3pch s ILE 374 Ca 0.75 1.65 0.00 0.00 0.00 0.00 0.00 60.65 63.05 3pch s ILE 374 Cb -0.28 -4.12 0.00 0.00 0.01 0.00 0.00 42.46 38.07 3pch s ILE 374 CO 0.33 0.41 0.00 0.61 0.00 0.00 0.00 174.94 176.29 3pch n GLY 375 N 2.17 1.05 3.65 6.18 0.00 -1.26 -4.43 105.19 112.55 3pch n GLY 375 Ca -0.03 -1.78 -0.43 0.00 0.00 0.00 0.00 46.02 43.77 3pch n GLY 375 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3pch s GLU 376 N -1.35 4.17 -0.11 1.61 2.02 -1.26 -4.90 118.70 118.88 3pch s GLU 376 Ca 0.00 1.25 -0.30 0.00 0.02 0.00 0.00 54.97 55.94 3pch s GLU 376 Cb 0.00 -3.69 -0.02 0.00 0.10 0.00 0.00 34.13 30.52 3pch s GLU 376 CO 0.00 -0.76 1.23 1.03 0.02 0.00 0.00 175.26 176.79 3pch s ARG 377 N 3.42 4.29 0.04 1.61 0.52 -1.26 -0.83 118.95 126.73 3pch s ARG 377 Ca 0.45 1.67 -0.01 0.00 -0.52 0.00 0.00 55.73 57.32 3pch s ARG 377 Cb -0.14 -3.66 -0.03 0.00 0.52 0.00 0.00 34.95 31.64 3pch s ARG 377 CO 0.11 -0.58 -0.01 0.96 0.02 0.00 0.00 175.30 175.80 3pch s ILE 378 N 2.86 0.16 -0.10 1.52 -4.36 0.11 -1.65 121.20 119.74 3pch s ILE 378 Ca 0.55 -1.34 -0.01 0.00 -0.26 0.00 0.00 60.65 59.59 3pch s ILE 378 Cb -0.23 -0.92 -0.03 0.00 1.25 0.00 0.00 42.46 42.53 3pch s ILE 378 CO 0.18 -0.74 -0.04 -0.63 0.24 0.00 0.00 174.94 173.95 3pch s ILE 379 N -2.74 3.90 -0.22 8.37 1.01 -0.27 -0.35 121.20 130.90 3pch s ILE 379 Ca -0.04 -0.39 0.02 0.00 0.00 0.00 0.00 60.65 60.24 3pch s ILE 379 Cb -0.01 -2.64 0.04 0.00 0.01 0.00 0.00 42.46 39.87 3pch s ILE 379 CO -0.06 0.57 -0.15 -0.69 0.00 0.00 0.00 174.94 174.61 3pch s VAL 380 N -0.46 2.11 0.05 2.92 1.01 -0.13 -0.44 120.40 125.46 3pch s VAL 380 Ca 0.07 -1.31 -0.01 0.00 0.00 0.00 0.00 61.98 60.73 3pch s VAL 380 Cb -0.12 -2.08 -0.04 0.00 0.00 0.00 0.00 36.38 34.15 3pch s VAL 380 CO 0.02 0.23 -0.02 0.00 0.00 0.00 0.00 175.10 175.33 3pch s ALA 381 N 1.19 0.46 0.00 5.51 0.00 -0.21 -0.45 121.76 128.26 3pch s ALA 381 Ca -0.02 -1.15 0.00 0.00 0.00 0.00 0.00 51.96 50.79 3pch s ALA 381 Cb -0.17 0.27 0.00 0.00 0.00 0.00 0.00 23.12 23.22 3pch s ALA 381 CO -0.09 -0.36 0.00 0.41 0.00 0.00 0.00 175.76 175.72 3pch n GLY 382 N 0.20 -1.11 3.18 0.00 0.00 -0.97 -0.64 105.19 105.83 3pch n GLY 382 Ca -0.15 -0.80 -0.20 0.00 0.00 0.00 0.00 46.02 44.87 3pch n GLY 382 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3pch s ARG 383 N -0.20 0.93 -0.29 1.61 3.52 -1.26 -1.61 118.95 121.66 3pch s ARG 383 Ca 0.00 -0.89 -0.06 0.00 -0.13 0.00 0.00 55.73 54.65 3pch s ARG 383 Cb 0.00 -0.97 0.01 0.00 -1.56 0.00 0.00 34.95 32.43 3pch s ARG 383 CO 0.00 0.23 0.07 0.08 -0.81 0.00 0.00 175.30 174.87 3pch s VAL 384 N -1.05 3.84 0.32 7.11 1.01 0.40 -0.60 120.40 131.44 3pch s VAL 384 Ca 0.01 -0.75 0.06 0.00 0.00 0.00 0.00 61.98 61.30 3pch s VAL 384 Cb -0.09 -2.99 -0.06 0.00 0.00 0.00 0.00 36.38 33.24 3pch s VAL 384 CO 0.02 0.08 -0.01 0.68 0.00 0.00 0.00 175.10 175.87 3pch s VAL 385 N 1.48 1.61 0.66 2.92 -7.23 0.38 -0.56 120.40 119.66 3pch s VAL 385 Ca 0.02 -2.07 0.04 0.00 -1.81 0.00 0.00 61.98 58.17 3pch s VAL 385 Cb -0.17 -2.67 0.12 0.00 0.56 0.00 0.00 36.38 34.22 3pch s VAL 385 CO 0.02 -0.15 0.91 1.51 -0.31 0.00 0.00 175.10 177.08 3pch s ASP 386 N -3.52 4.65 0.54 4.85 -4.77 0.89 0.10 116.67 119.41 3pch s ASP 386 Ca 0.33 -0.65 0.35 0.00 -3.30 0.00 0.00 52.55 49.28 3pch s ASP 386 Cb 0.06 0.24 1.68 0.00 -1.09 0.00 0.00 42.92 43.81 3pch s ASP 386 CO 0.14 -1.67 2.06 1.56 0.70 0.00 0.00 175.17 177.97 3pch h GLN 387 N -0.22 0.00 -0.05 2.11 4.20 -1.34 0.24 115.11 120.04 3pch h GLN 387 Ca -0.32 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.39 3pch h GLN 387 Cb 1.28 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.06 3pch h GLN 387 CO 0.39 0.00 0.00 0.66 -0.67 0.00 0.00 178.83 179.21 3pch n TYR 388 N -2.92 0.05 -1.06 2.96 4.01 -1.26 -4.91 117.16 114.04 3pch n TYR 388 Ca -0.01 -0.03 -0.02 0.00 -0.16 0.00 0.00 57.90 57.69 3pch n TYR 388 Cb 0.19 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.21 3pch n TYR 388 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3pch n GLY 389 N 1.11 0.55 3.72 2.72 0.00 0.84 -5.03 105.19 109.10 3pch n GLY 389 Ca 0.19 -0.73 -0.40 0.00 0.00 0.00 0.00 46.02 45.08 3pch n GLY 389 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3pch s LYS 390 N -1.74 4.44 0.76 1.61 2.20 -1.25 -4.75 119.74 121.00 3pch s LYS 390 Ca 0.00 0.90 -0.15 0.00 -0.36 0.00 0.00 55.97 56.37 3pch s LYS 390 Cb 0.00 -3.43 0.05 0.00 -1.51 0.00 0.00 37.83 32.94 3pch s LYS 390 CO 0.00 0.11 1.22 -2.14 -0.36 0.00 0.00 175.35 174.18 3pch s PRO 391 N 0.63 1.92 -0.42 4.03 0.02 -1.26 -0.08 135.00 139.84 3pch s PRO 391 Ca 0.37 1.82 0.04 0.00 0.02 0.00 0.00 61.00 63.25 3pch s PRO 391 Cb -0.18 -1.80 0.12 0.00 0.02 0.00 0.00 34.50 32.65 3pch s PRO 391 CO 0.19 -2.01 0.16 0.08 -0.33 0.00 0.00 177.00 175.08 3pch s VAL 392 N -1.96 2.25 0.39 3.83 1.01 0.27 -4.79 120.40 121.40 3pch s VAL 392 Ca 0.75 -2.72 -0.09 0.00 0.00 0.00 0.00 61.98 59.92 3pch s VAL 392 Cb -0.31 -2.61 -0.06 0.00 0.00 0.00 0.00 36.38 33.40 3pch s VAL 392 CO 0.47 -0.72 0.73 -2.16 0.00 0.00 0.00 175.10 173.43 3pch s PRO 393 N 0.39 3.74 -1.31 2.72 0.04 -1.26 -4.29 135.00 135.03 3pch s PRO 393 Ca 0.14 0.37 -0.01 0.00 0.04 0.00 0.00 61.00 61.55 3pch s PRO 393 Cb -0.22 -2.44 0.00 0.00 0.04 0.00 0.00 34.50 31.88 3pch s PRO 393 CO -0.05 0.00 0.75 0.09 0.04 0.00 0.00 177.00 177.83 3pch n ASN 394 N -1.27 -1.50 -4.45 6.66 4.13 0.38 -4.94 115.26 114.27 3pch n ASN 394 Ca 0.02 -0.79 -0.29 0.00 1.68 0.00 0.00 54.58 55.19 3pch n ASN 394 Cb 0.54 -4.18 -0.12 0.00 -1.54 0.00 0.00 39.78 34.48 3pch n ASN 394 CO 0.00 0.00 0.00 0.28 0.28 0.00 0.00 177.26 177.82 3pch s THR 395 N -3.61 2.62 -0.23 3.41 -1.32 -1.25 -4.53 115.64 110.72 3pch s THR 395 Ca 0.04 -1.59 -0.26 0.00 -1.21 0.00 0.00 61.69 58.67 3pch s THR 395 Cb -0.02 -2.18 -0.00 0.00 -1.51 0.00 0.00 72.50 68.78 3pch s THR 395 CO 0.80 0.10 0.87 -0.22 -2.21 0.00 0.00 174.62 173.97 3pch s LEU 396 N -2.09 4.10 -0.24 9.08 2.96 -1.26 -0.62 118.68 130.61 3pch s LEU 396 Ca 0.16 1.13 -0.03 0.00 -0.22 0.00 0.00 54.13 55.17 3pch s LEU 396 Cb -0.10 -3.27 0.01 0.00 0.50 0.00 0.00 46.19 43.33 3pch s LEU 396 CO 0.08 -0.53 -0.04 -0.69 -1.32 0.00 0.00 176.35 173.86 3pch s VAL 397 N 2.79 3.18 0.03 1.68 1.01 0.27 -1.80 120.40 127.56 3pch s VAL 397 Ca 0.37 -0.78 0.07 0.00 0.00 0.00 0.00 61.98 61.64 3pch s VAL 397 Cb -0.15 -2.55 -0.03 0.00 0.00 0.00 0.00 36.38 33.65 3pch s VAL 397 CO 0.08 0.28 -0.17 -1.61 0.00 0.00 0.00 175.10 173.67 3pch s GLU 398 N 1.40 2.12 0.03 2.72 2.02 0.12 -0.48 118.70 126.64 3pch s GLU 398 Ca 0.03 -0.95 -0.03 0.00 0.02 0.00 0.00 54.97 54.03 3pch s GLU 398 Cb -0.16 -2.21 -0.02 0.00 0.10 0.00 0.00 34.13 31.84 3pch s GLU 398 CO -0.03 0.55 0.04 0.00 0.02 0.00 0.00 175.26 175.83 3pch s MET 399 N -1.40 0.51 0.00 1.61 0.23 -0.32 -0.63 119.30 119.30 3pch s MET 399 Ca 0.15 -0.79 -0.17 0.00 -1.03 0.00 0.00 55.69 53.84 3pch s MET 399 Cb -0.11 0.19 0.03 0.00 -1.53 0.00 0.00 34.83 33.42 3pch s MET 399 CO 0.05 -0.11 0.38 1.67 -2.03 0.00 0.00 175.02 174.98 3pch s TRP 400 N -2.49 -0.25 0.12 3.16 -2.14 -0.80 -1.97 118.94 114.57 3pch s TRP 400 Ca -0.06 0.32 -0.26 0.00 2.66 0.00 0.00 56.10 58.76 3pch s TRP 400 Cb -0.02 0.16 0.08 0.00 -3.10 0.00 0.00 33.47 30.59 3pch s TRP 400 CO -0.04 -0.48 1.06 1.14 -2.66 0.00 0.00 176.95 175.97 3pch s GLN 401 N -1.75 1.01 0.77 3.25 -2.07 -0.56 -0.37 119.66 119.95 3pch s GLN 401 Ca -0.10 -0.58 -0.04 0.00 -1.82 0.00 0.00 55.36 52.81 3pch s GLN 401 Cb -0.03 0.33 0.14 0.00 -1.09 0.00 0.00 33.01 32.36 3pch s GLN 401 CO 0.02 -0.47 1.06 0.00 -1.32 0.00 0.00 175.29 174.59 3pch s ALA 402 N -2.86 3.35 0.92 2.60 0.00 -1.26 -4.55 121.76 119.95 3pch s ALA 402 Ca 0.15 -1.55 -0.11 0.00 0.00 0.00 0.00 51.96 50.44 3pch s ALA 402 Cb -0.00 -2.21 0.20 0.00 0.00 0.00 0.00 23.12 21.10 3pch s ALA 402 CO 0.01 -1.65 1.22 0.27 0.00 0.00 0.00 175.76 175.61 3pch n ASN 403 N -3.03 0.49 0.02 0.00 0.23 -0.19 -4.46 115.26 108.31 3pch n ASN 403 Ca 0.14 -1.68 0.22 0.00 -0.53 0.00 0.00 54.58 52.74 3pch n ASN 403 Cb 0.60 -0.89 0.72 0.00 -2.08 0.00 0.00 39.78 38.13 3pch n ASN 403 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3pch h ALA 404 N -1.42 2.33 -0.16 -2.53 0.00 -1.78 0.52 119.26 116.23 3pch h ALA 404 Ca -0.40 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.50 3pch h ALA 404 Cb 1.19 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3pch h ALA 404 CO 0.32 -0.80 0.00 0.41 0.00 0.00 0.00 179.25 179.17 3pch n GLY 405 N -1.55 0.97 1.87 0.00 0.00 -1.26 -3.09 105.19 102.12 3pch n GLY 405 Ca 0.11 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.50 3pch n GLY 405 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3pch n GLY 406 N 1.34 0.45 3.70 -0.02 0.00 0.10 -4.80 105.19 105.95 3pch n GLY 406 Ca 0.17 -0.76 -0.36 0.00 0.00 0.00 0.00 46.02 45.07 3pch n GLY 406 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3pch s ARG 407 N -1.40 4.15 0.13 1.61 6.06 -1.26 -4.70 118.95 123.54 3pch s ARG 407 Ca 0.00 -0.16 -0.13 0.00 -2.50 0.00 0.00 55.73 52.94 3pch s ARG 407 Cb 0.00 -3.48 -0.07 0.00 0.06 0.00 0.00 34.95 31.47 3pch s ARG 407 CO 0.00 0.17 0.52 0.71 -2.50 0.00 0.00 175.30 174.20 3pch s TYR 408 N 0.72 3.61 -1.24 5.12 2.02 -1.26 -1.03 117.35 125.29 3pch s TYR 408 Ca 0.10 1.01 -0.12 0.00 -0.37 0.00 0.00 57.07 57.69 3pch s TYR 408 Cb -0.13 -2.33 0.17 0.00 -0.40 0.00 0.00 41.96 39.28 3pch s TYR 408 CO 0.02 0.46 1.61 -2.13 -1.57 0.00 0.00 175.55 173.94 3pch n ARG 409 N 0.87 3.48 -3.71 -0.62 0.63 -1.26 -4.77 116.66 111.27 3pch n ARG 409 Ca -0.06 -3.72 -0.12 0.00 -0.92 0.00 0.00 57.85 53.03 3pch n ARG 409 Cb 0.52 -2.99 -0.10 0.00 0.45 0.00 0.00 32.46 30.33 3pch n ARG 409 CO 0.00 0.00 0.00 -1.58 -2.51 0.00 0.00 177.63 173.54 3pch s HIS 410 N 1.08 -0.53 0.33 -0.14 2.46 -1.26 -5.05 115.29 112.17 3pch s HIS 410 Ca 0.42 1.21 0.08 0.00 0.47 0.00 0.00 55.06 57.24 3pch s HIS 410 Cb 0.02 0.21 0.95 0.00 -0.13 0.00 0.00 32.58 33.64 3pch s HIS 410 CO 0.00 -0.28 1.58 -0.22 -2.47 0.00 0.00 174.74 173.35 3pch h LYS 411 N 6.33 0.02 0.00 2.88 3.64 -2.07 0.13 116.57 127.50 3pch h LYS 411 Ca -0.32 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.06 3pch h LYS 411 Cb 1.18 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.00 3pch h LYS 411 CO 0.27 0.01 -0.01 0.09 -2.27 0.00 0.00 179.45 177.54 3pch n ASN 412 N -5.40 0.06 -4.57 4.20 5.03 -1.26 -4.76 115.26 108.56 3pch n ASN 412 Ca 0.28 0.48 -0.43 0.00 0.87 0.00 0.00 54.58 55.79 3pch n ASN 412 Cb 0.93 -0.49 -0.05 0.00 -1.02 0.00 0.00 39.78 39.16 3pch n ASN 412 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 3pch s ASP 413 N -3.08 6.50 -0.26 6.41 2.15 0.03 -4.87 116.67 123.55 3pch s ASP 413 Ca 0.14 0.13 0.11 0.00 0.43 0.00 0.00 52.55 53.36 3pch s ASP 413 Cb 0.19 -2.42 0.48 0.00 -0.30 0.00 0.00 42.92 40.87 3pch s ASP 413 CO 0.54 -0.94 1.40 0.54 -0.17 0.00 0.00 175.17 176.54 3pch n ARG 414 N 6.87 1.89 -2.24 4.34 5.12 -1.26 -4.89 116.66 126.49 3pch n ARG 414 Ca 0.05 -3.13 -0.39 0.00 -1.93 0.00 0.00 57.85 52.45 3pch n ARG 414 Cb 0.48 -1.77 -0.02 0.00 -1.16 0.00 0.00 32.46 29.99 3pch n ARG 414 CO 0.00 0.00 0.00 -0.47 -1.93 0.00 0.00 177.63 175.23 3pch s TYR 415 N -3.18 3.05 -0.02 -1.55 5.04 -1.26 -4.90 117.35 114.54 3pch s TYR 415 Ca 0.43 1.52 0.30 0.00 -2.44 0.00 0.00 57.07 56.88 3pch s TYR 415 Cb 0.39 -3.47 1.45 0.00 0.35 0.00 0.00 41.96 40.68 3pch s TYR 415 CO -0.00 -1.46 1.91 1.37 -1.34 0.00 0.00 175.55 176.03 3pch h LEU 416 N 2.80 0.00 -9.72 6.97 -0.00 -1.99 -3.43 115.31 109.94 3pch h LEU 416 Ca -0.49 0.00 -0.52 0.00 -0.00 0.00 0.00 57.88 56.87 3pch h LEU 416 Cb 1.23 0.00 0.03 0.00 -0.00 0.00 0.00 40.66 41.93 3pch h LEU 416 CO 0.63 0.00 0.60 0.00 -0.00 0.00 0.00 178.44 179.67 3pch s ALA 417 N -3.65 3.48 0.65 0.17 0.00 -1.26 -4.97 121.76 116.19 3pch s ALA 417 Ca -0.00 1.06 -0.13 0.00 0.00 0.00 0.00 51.96 52.89 3pch s ALA 417 Cb 0.09 -3.44 -0.01 0.00 0.00 0.00 0.00 23.12 19.76 3pch s ALA 417 CO 0.38 -0.46 1.06 -1.25 0.00 0.00 0.00 175.76 175.49 3pch s PRO 418 N -0.55 3.05 0.63 0.00 0.04 -1.26 -4.75 135.00 132.15 3pch s PRO 418 Ca 0.53 1.10 -0.13 0.00 0.04 0.00 0.00 61.00 62.54 3pch s PRO 418 Cb -0.35 -2.00 -0.03 0.00 0.04 0.00 0.00 34.50 32.16 3pch s PRO 418 CO 0.40 -1.02 1.04 -0.51 0.04 0.00 0.00 177.00 176.96 3pch s LEU 419 N -5.08 3.31 -0.32 -3.56 1.43 -1.26 -4.76 118.68 108.44 3pch s LEU 419 Ca 0.61 1.59 -0.09 0.00 -1.03 0.00 0.00 54.13 55.21 3pch s LEU 419 Cb -0.15 -4.50 0.01 0.00 0.03 0.00 0.00 46.19 41.57 3pch s LEU 419 CO 0.46 -1.09 0.15 -0.62 0.23 0.00 0.00 176.35 175.49 3pch s ASP 420 N -3.60 5.52 0.60 2.29 -1.08 -1.26 -4.99 116.67 114.15 3pch s ASP 420 Ca 0.58 -0.69 0.29 0.00 -0.52 0.00 0.00 52.55 52.22 3pch s ASP 420 Cb -0.13 -1.98 1.51 0.00 -1.46 0.00 0.00 42.92 40.86 3pch s ASP 420 CO 0.47 -0.24 1.92 1.55 0.52 0.00 0.00 175.17 179.39 3pch h PRO 421 N 8.35 0.00 -0.33 4.34 0.13 -1.96 -1.08 132.00 141.44 3pch h PRO 421 Ca -0.30 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.82 3pch h PRO 421 Cb 1.13 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.25 3pch h PRO 421 CO 0.63 0.00 0.01 0.09 -0.23 0.00 0.00 178.00 178.49 3pch n ASN 422 N -3.58 4.20 -3.93 1.44 4.13 -1.26 -4.98 115.26 111.29 3pch n ASN 422 Ca 0.06 -3.04 -0.19 0.00 1.68 0.00 0.00 54.58 53.10 3pch n ASN 422 Cb 0.58 -0.58 -0.16 0.00 -1.54 0.00 0.00 39.78 38.09 3pch n ASN 422 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 3pch s PHE 423 N -2.84 0.67 -0.20 3.10 5.36 -0.41 -4.07 117.98 119.58 3pch s PHE 423 Ca 0.45 -0.16 -0.13 0.00 -0.96 0.00 0.00 56.93 56.13 3pch s PHE 423 Cb 0.36 -0.54 -0.08 0.00 -0.34 0.00 0.00 43.02 42.42 3pch s PHE 423 CO 0.10 -0.11 -0.30 0.41 -1.46 0.00 0.00 175.22 173.86 3pch n GLY 424 N 3.58 -0.41 0.47 13.12 0.00 -1.26 -4.71 105.19 115.99 3pch n GLY 424 Ca -0.21 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.64 3pch n GLY 424 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3pch n GLY 425 N 1.64 0.95 3.23 -0.02 0.00 -1.26 -4.47 105.19 105.25 3pch n GLY 425 Ca -0.33 -0.25 -0.27 0.00 0.00 0.00 0.00 46.02 45.16 3pch n GLY 425 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3pch s VAL 426 N -2.00 1.67 0.10 1.61 1.01 -1.26 -1.49 120.40 120.04 3pch s VAL 426 Ca 0.00 -0.94 -0.14 0.00 0.00 0.00 0.00 61.98 60.91 3pch s VAL 426 Cb 0.00 -1.40 0.02 0.00 0.00 0.00 0.00 36.38 35.01 3pch s VAL 426 CO 0.00 0.44 0.32 -0.83 0.00 0.00 0.00 175.10 175.04 3pch s GLY 427 N -0.57 -0.14 -0.04 4.51 0.00 -0.83 -4.75 107.32 105.50 3pch s GLY 427 Ca 0.08 -0.19 -0.16 0.00 0.00 0.00 0.00 44.72 44.46 3pch s GLY 427 CO -0.01 -0.42 0.35 1.09 0.00 0.00 0.00 173.10 174.11 3pch s ARG 428 N -3.55 0.65 -0.23 2.90 1.70 -0.95 -1.17 118.95 118.31 3pch s ARG 428 Ca 0.02 -0.03 -0.19 0.00 -0.47 0.00 0.00 55.73 55.05 3pch s ARG 428 Cb 0.02 0.30 0.06 0.00 -0.57 0.00 0.00 34.95 34.76 3pch s ARG 428 CO -0.10 -0.17 0.60 0.00 -1.08 0.00 0.00 175.30 174.55 3pch s LEU 430 N 0.56 4.22 0.61 0.00 2.96 -1.26 -0.57 118.68 125.21 3pch s LEU 430 Ca -0.02 0.36 -0.18 0.00 -0.22 0.00 0.00 54.13 54.08 3pch s LEU 430 Cb -0.05 -2.24 -0.02 0.00 0.50 0.00 0.00 46.19 44.38 3pch s LEU 430 CO -0.03 0.13 1.18 0.42 -1.32 0.00 0.00 176.35 176.73 3pch s THR 431 N 0.48 2.75 0.00 3.68 -4.23 0.21 -4.81 115.64 113.71 3pch s THR 431 Ca 0.12 0.43 0.00 0.00 -1.18 0.00 0.00 61.69 61.07 3pch s THR 431 Cb -0.12 -3.11 0.00 0.00 1.34 0.00 0.00 72.50 70.61 3pch s THR 431 CO 0.01 -0.13 0.00 -0.90 -0.54 0.00 0.00 174.62 173.06 3pch n ASP 432 N -1.81 0.00 -0.26 3.99 5.68 -0.34 -0.47 116.55 123.35 3pch n ASP 432 Ca 0.13 -0.59 0.03 0.00 -0.50 0.00 0.00 54.79 53.86 3pch n ASP 432 Cb 0.50 0.00 0.26 0.00 -1.14 0.00 0.00 41.12 40.74 3pch n ASP 432 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 3pch h SER 433 N 0.00 0.86 -0.48 -1.12 0.02 -1.95 -1.82 113.55 109.06 3pch h SER 433 Ca 0.00 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3pch h SER 433 Cb 0.00 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.35 3pch h SER 433 CO 0.00 0.58 0.00 0.47 -1.14 0.00 0.00 176.83 176.74 3pch n ASP 434 N -4.46 2.58 -0.10 3.07 8.00 -1.26 -4.59 116.55 119.80 3pch n ASP 434 Ca 0.11 -1.99 -0.01 0.00 0.71 0.00 0.00 54.79 53.61 3pch n ASP 434 Cb 0.14 -0.32 -0.01 0.00 -0.02 0.00 0.00 41.12 40.92 3pch n ASP 434 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3pch n GLY 435 N 1.27 0.51 3.83 0.44 0.00 -0.69 -4.73 105.19 105.82 3pch n GLY 435 Ca 0.16 -0.53 -0.36 0.00 0.00 0.00 0.00 46.02 45.29 3pch n GLY 435 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3pch s TYR 436 N -2.00 3.62 0.14 1.61 2.02 -1.26 -0.45 117.35 121.03 3pch s TYR 436 Ca 0.00 1.26 0.00 0.00 -0.37 0.00 0.00 57.07 57.96 3pch s TYR 436 Cb 0.00 -2.53 -0.04 0.00 -0.40 0.00 0.00 41.96 38.99 3pch s TYR 436 CO 0.00 0.36 0.03 1.52 -1.57 0.00 0.00 175.55 175.89 3pch s TYR 437 N -1.52 0.96 -0.22 2.71 -0.85 -0.63 -1.20 117.35 116.60 3pch s TYR 437 Ca 0.41 -1.13 -0.27 0.00 -0.52 0.00 0.00 57.07 55.56 3pch s TYR 437 Cb -0.16 -0.55 0.13 0.00 0.38 0.00 0.00 41.96 41.75 3pch s TYR 437 CO 0.20 -0.38 1.03 -1.54 -1.52 0.00 0.00 175.55 173.33 3pch s SER 438 N -3.08 -0.40 0.10 -0.18 1.04 -1.26 -2.30 113.70 107.62 3pch s SER 438 Ca 0.22 0.63 0.04 0.00 0.48 0.00 0.00 55.95 57.33 3pch s SER 438 Cb 0.07 0.59 -0.04 0.00 0.10 0.00 0.00 66.02 66.74 3pch s SER 438 CO 0.01 -0.24 -0.11 -0.36 0.98 0.00 0.00 173.24 173.52 3pch s PHE 439 N -0.40 1.13 -0.09 5.02 0.08 0.41 -4.87 117.98 119.25 3pch s PHE 439 Ca 0.01 -0.61 0.01 0.00 0.12 0.00 0.00 56.93 56.46 3pch s PHE 439 Cb -0.03 -0.61 0.02 0.00 -0.57 0.00 0.00 43.02 41.82 3pch s PHE 439 CO -0.03 0.03 -0.12 0.50 -0.10 0.00 0.00 175.22 175.50 3pch s ARG 440 N -2.63 1.85 0.00 0.44 3.52 -0.91 -0.95 118.95 120.27 3pch s ARG 440 Ca 0.05 -0.43 0.00 0.00 -0.13 0.00 0.00 55.73 55.22 3pch s ARG 440 Cb -0.04 -1.64 0.00 0.00 -1.56 0.00 0.00 34.95 31.71 3pch s ARG 440 CO 0.01 -0.09 0.00 -2.37 -0.81 0.00 0.00 175.30 172.04 3pch n THR 441 N 4.26 0.00 -4.32 4.11 5.66 0.53 0.42 114.28 124.94 3pch n THR 441 Ca -0.19 0.00 -0.28 0.00 -3.05 0.00 0.00 64.05 60.53 3pch n THR 441 Cb 0.51 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 69.18 3pch n THR 441 CO 0.00 0.00 0.00 0.27 -3.05 0.00 0.00 175.07 172.29 3pch s ILE 442 N -2.83 2.83 -0.02 1.09 -5.25 -1.26 -0.71 121.20 115.06 3pch s ILE 442 Ca 0.00 -1.64 -0.30 0.00 -0.99 0.00 0.00 60.65 57.72 3pch s ILE 442 Cb 0.00 -2.34 -0.04 0.00 2.95 0.00 0.00 42.46 43.03 3pch s ILE 442 CO 0.00 0.01 1.26 -0.75 -1.79 0.00 0.00 174.94 173.67 3pch s LYS 443 N -2.40 4.34 0.67 0.37 2.20 -0.01 -4.89 119.74 120.01 3pch s LYS 443 Ca 0.20 1.77 -0.16 0.00 -0.36 0.00 0.00 55.97 57.42 3pch s LYS 443 Cb -0.10 -3.53 0.00 0.00 -1.51 0.00 0.00 37.83 32.70 3pch s LYS 443 CO 0.11 -0.46 1.18 -1.25 -0.36 0.00 0.00 175.35 174.57 3pch s PRO 444 N 2.10 2.59 0.26 4.03 0.04 -1.26 -4.17 135.00 138.59 3pch s PRO 444 Ca 0.59 1.67 0.02 0.00 0.04 0.00 0.00 61.00 63.32 3pch s PRO 444 Cb -0.27 -1.90 -0.03 0.00 0.04 0.00 0.00 34.50 32.34 3pch s PRO 444 CO 0.24 -1.47 0.43 0.20 0.04 0.00 0.00 177.00 176.43 3pch s GLY 445 N -2.05 1.42 0.91 0.56 0.00 -0.73 -4.70 107.32 102.74 3pch s GLY 445 Ca 0.73 -1.01 -0.11 0.00 0.00 0.00 0.00 44.72 44.33 3pch s GLY 445 CO 0.40 -0.99 1.09 2.56 0.00 0.00 0.00 173.10 176.17 3pch s PRO 446 N -3.89 1.12 -0.01 2.90 0.04 -1.26 -3.76 135.00 130.13 3pch s PRO 446 Ca 0.37 1.04 -0.11 0.00 0.04 0.00 0.00 61.00 62.34 3pch s PRO 446 Cb -0.10 -1.78 0.01 0.00 0.04 0.00 0.00 34.50 32.68 3pch s PRO 446 CO 0.31 -2.40 0.23 1.52 0.04 0.00 0.00 177.00 176.70 3pch s TYR 447 N -2.81 -0.09 0.44 0.56 1.13 -1.07 -4.11 117.35 111.41 3pch s TYR 447 Ca 0.64 0.12 -0.22 0.00 -1.41 0.00 0.00 57.07 56.21 3pch s TYR 447 Cb -0.20 0.03 -0.09 0.00 -1.10 0.00 0.00 41.96 40.61 3pch s TYR 447 CO 0.58 -0.32 1.04 -1.25 -2.51 0.00 0.00 175.55 173.08 3pch s PRO 448 N -1.22 4.00 -0.02 -3.49 0.04 -1.26 -0.43 135.00 132.62 3pch s PRO 448 Ca -0.13 1.41 -0.13 0.00 0.04 0.00 0.00 61.00 62.19 3pch s PRO 448 Cb -0.06 -2.30 0.02 0.00 0.04 0.00 0.00 34.50 32.20 3pch s PRO 448 CO 0.03 -0.27 0.28 1.67 0.04 0.00 0.00 177.00 178.75 3pch s TRP 449 N -1.85 -0.16 -1.29 0.56 1.48 -0.78 -4.88 118.94 112.01 3pch s TRP 449 Ca 0.63 0.25 -0.17 0.00 -1.06 0.00 0.00 56.10 55.74 3pch s TRP 449 Cb -0.18 0.08 0.02 0.00 -1.16 0.00 0.00 33.47 32.22 3pch s TRP 449 CO 0.23 -0.36 1.96 0.54 -4.06 0.00 0.00 176.95 175.26 3pch n ARG 450 N 1.44 2.73 0.00 3.25 1.74 -1.26 -4.24 116.66 120.31 3pch n ARG 450 Ca -0.21 -2.80 0.00 0.00 -0.77 0.00 0.00 57.85 54.07 3pch n ARG 450 Cb 0.56 -3.39 0.00 0.00 -1.02 0.00 0.00 32.46 28.61 3pch n ARG 450 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 3pch n ASN 451 N 8.11 0.00 -4.08 0.55 5.15 -1.26 -5.05 115.26 118.69 3pch n ASN 451 Ca 0.50 0.00 -0.30 0.00 -0.60 0.00 0.00 54.58 54.18 3pch n ASN 451 Cb 0.43 0.00 0.19 0.00 -0.53 0.00 0.00 39.78 39.87 3pch n ASN 451 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 3pch s GLY 452 N -0.22 1.79 0.42 8.20 0.00 -1.26 -4.94 107.32 111.30 3pch s GLY 452 Ca 0.00 -1.23 0.29 0.00 0.00 0.00 0.00 44.72 43.78 3pch s GLY 452 CO 0.00 -0.44 1.88 -2.55 0.00 0.00 0.00 173.10 171.99 3pch h PRO 453 N -1.70 0.00 -1.18 2.90 0.11 -1.97 -3.30 132.00 126.87 3pch h PRO 453 Ca -0.44 0.00 -0.38 0.00 0.11 0.00 0.00 66.00 65.29 3pch h PRO 453 Cb 1.23 0.00 -0.38 0.00 0.11 0.00 0.00 31.00 31.96 3pch h PRO 453 CO 0.36 0.00 -1.13 -1.71 -0.21 0.00 0.00 178.00 175.31 3pch n ASN 454 N -2.64 0.98 -4.84 -2.05 5.15 -1.26 -5.08 115.26 105.52 3pch n ASN 454 Ca 0.00 -2.80 -0.37 0.00 -0.60 0.00 0.00 54.58 50.81 3pch n ASN 454 Cb 0.21 -0.40 -0.06 0.00 -0.53 0.00 0.00 39.78 39.00 3pch n ASN 454 CO 0.00 0.00 0.00 -1.81 1.40 0.00 0.00 177.26 176.85 3pch s ASP 455 N -2.77 6.59 -0.08 1.20 1.01 -1.24 -5.07 116.67 116.31 3pch s ASP 455 Ca 0.30 0.71 -0.01 0.00 0.71 0.00 0.00 52.55 54.26 3pch s ASP 455 Cb 0.42 -2.17 0.03 0.00 1.01 0.00 0.00 42.92 42.21 3pch s ASP 455 CO -0.00 0.33 -0.03 0.26 0.21 0.00 0.00 175.17 175.94 3pch s TRP 456 N -0.87 0.98 0.18 4.23 0.52 -1.26 -1.88 118.94 120.85 3pch s TRP 456 Ca 0.19 -0.38 -0.30 0.00 0.02 0.00 0.00 56.10 55.64 3pch s TRP 456 Cb -0.14 -0.94 -0.08 0.00 -1.15 0.00 0.00 33.47 31.16 3pch s TRP 456 CO 0.08 -0.37 1.19 1.03 0.02 0.00 0.00 176.95 178.90 3pch s ARG 457 N 1.71 4.50 0.81 4.98 1.81 0.43 -4.75 118.95 128.44 3pch s ARG 457 Ca 0.02 1.86 -0.12 0.00 -1.72 0.00 0.00 55.73 55.78 3pch s ARG 457 Cb -0.13 -3.24 0.08 0.00 -0.45 0.00 0.00 34.95 31.21 3pch s ARG 457 CO -0.05 -0.07 1.15 -1.25 -0.68 0.00 0.00 175.30 174.39 3pch s PRO 458 N -0.25 1.75 0.21 3.54 0.05 -1.26 -2.58 135.00 136.46 3pch s PRO 458 Ca 0.52 1.51 -0.32 0.00 0.05 0.00 0.00 61.00 62.76 3pch s PRO 458 Cb -0.32 -1.81 -0.13 0.00 0.05 0.00 0.00 34.50 32.28 3pch s PRO 458 CO 0.36 -2.08 1.60 0.00 0.05 0.00 0.00 177.00 176.94 3pch n ALA 459 N -3.51 1.96 -3.19 8.56 0.00 -1.26 -4.74 120.51 118.33 3pch n ALA 459 Ca 0.12 0.42 -0.12 0.00 0.00 0.00 0.00 53.44 53.85 3pch n ALA 459 Cb 0.52 -2.41 -0.05 0.00 0.00 0.00 0.00 19.45 17.51 3pch n ALA 459 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 3pch s HIS 460 N 0.72 -0.33 -0.15 0.00 -3.43 -1.26 -4.04 115.29 106.81 3pch s HIS 460 Ca 0.74 0.23 0.00 0.00 -0.80 0.00 0.00 55.06 55.23 3pch s HIS 460 Cb -0.59 0.30 -0.00 0.00 -1.43 0.00 0.00 32.58 30.86 3pch s HIS 460 CO 0.39 -0.66 -0.15 0.42 -2.00 0.00 0.00 174.74 172.74 3pch s ILE 461 N -2.95 2.70 0.13 -5.38 1.01 -0.86 -4.63 121.20 111.22 3pch s ILE 461 Ca -0.02 -0.76 -0.30 0.00 0.00 0.00 0.00 60.65 59.56 3pch s ILE 461 Cb -0.00 -2.13 -0.06 0.00 0.01 0.00 0.00 42.46 40.27 3pch s ILE 461 CO -0.06 0.52 1.01 -1.00 0.00 0.00 0.00 174.94 175.41 3pch s HIS 462 N 0.72 3.74 0.09 3.97 3.76 0.50 -0.43 115.29 127.64 3pch s HIS 462 Ca -0.07 1.73 0.09 0.00 -0.15 0.00 0.00 55.06 56.66 3pch s HIS 462 Cb -0.16 -3.13 -0.03 0.00 1.11 0.00 0.00 32.58 30.37 3pch s HIS 462 CO 0.01 -0.07 -0.22 -0.06 -0.85 0.00 0.00 174.74 173.55 3pch s PHE 463 N -0.08 1.92 -0.03 1.40 0.40 -0.15 -1.90 117.98 119.54 3pch s PHE 463 Ca 0.48 -0.40 -0.00 0.00 -0.60 0.00 0.00 56.93 56.41 3pch s PHE 463 Cb -0.25 -1.07 0.03 0.00 0.51 0.00 0.00 43.02 42.23 3pch s PHE 463 CO 0.31 0.20 0.01 0.20 0.70 0.00 0.00 175.22 176.65 3pch s GLY 464 N -1.74 0.23 -0.07 4.36 0.00 0.19 -1.33 107.32 108.96 3pch s GLY 464 Ca 0.08 0.17 0.01 0.00 0.00 0.00 0.00 44.72 44.99 3pch s GLY 464 CO 0.04 0.77 -0.10 -0.42 0.00 0.00 0.00 173.10 173.39 3pch s ILE 465 N 1.26 1.00 -0.05 0.90 1.09 -0.27 -0.70 121.20 124.42 3pch s ILE 465 Ca -0.06 -0.37 -0.09 0.00 -1.10 0.00 0.00 60.65 59.02 3pch s ILE 465 Cb -0.13 -0.95 -0.05 0.00 -1.06 0.00 0.00 42.46 40.27 3pch s ILE 465 CO -0.02 0.33 0.40 0.77 -0.10 0.00 0.00 174.94 176.32 3pch h SER 466 N 7.24 -0.28 -3.84 3.58 4.64 -1.64 -0.82 113.55 122.44 3pch h SER 466 Ca -0.32 0.01 0.02 0.00 -0.47 0.00 0.00 61.79 61.03 3pch h SER 466 Cb 1.17 0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 63.33 3pch h SER 466 CO 0.46 0.14 -0.03 0.61 -0.87 0.00 0.00 176.83 177.15 3pch n GLY 467 N 0.90 -2.13 0.05 -0.77 0.00 -1.26 -2.18 105.19 99.80 3pch n GLY 467 Ca -0.04 -1.45 0.10 0.00 0.00 0.00 0.00 46.02 44.62 3pch n GLY 467 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3pch n PRO 468 N -0.80 0.08 -3.91 1.61 -0.04 -1.26 -4.87 135.00 125.80 3pch n PRO 468 Ca 0.00 0.27 -0.08 0.00 -0.04 0.00 0.00 63.50 63.65 3pch n PRO 468 Cb 0.03 -1.63 -0.03 0.00 -0.04 0.00 0.00 33.50 31.83 3pch n PRO 468 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3pch s SER 469 N -3.47 -0.20 0.54 3.54 1.04 -1.26 -3.70 113.70 110.19 3pch s SER 469 Ca 0.07 -0.73 0.31 0.00 0.48 0.00 0.00 55.95 56.09 3pch s SER 469 Cb 0.11 0.67 1.50 0.00 0.10 0.00 0.00 66.02 68.40 3pch s SER 469 CO 0.35 -1.26 2.06 0.16 0.98 0.00 0.00 173.24 175.53 3pch h ILE 470 N 2.10 0.32 -0.20 -1.02 3.07 -1.10 -2.24 117.51 118.45 3pch h ILE 470 Ca -0.22 -0.54 -0.06 0.00 1.55 0.00 0.00 64.86 65.59 3pch h ILE 470 Cb 1.25 1.40 -0.01 0.00 -0.27 0.00 0.00 36.82 39.19 3pch h ILE 470 CO 0.28 0.08 -0.15 0.00 -1.05 0.00 0.00 178.15 177.32 3pch h ALA 471 N 1.91 1.39 0.00 0.16 0.00 -1.78 -3.07 119.26 117.87 3pch h ALA 471 Ca -0.00 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3pch h ALA 471 Cb 0.40 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3pch h ALA 471 CO 0.01 0.42 -1.09 0.25 0.00 0.00 0.00 179.25 178.84 3pch n THR 472 N -4.23 0.27 -1.66 0.00 -2.24 -0.88 -4.93 114.28 100.60 3pch n THR 472 Ca -0.00 -0.34 -0.43 0.00 -2.27 0.00 0.00 64.05 61.01 3pch n THR 472 Cb 0.30 0.04 -0.01 0.00 -2.10 0.00 0.00 70.33 68.56 3pch n THR 472 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 3pch n LYS 473 N -2.16 1.83 -3.71 -0.78 3.00 -0.93 -4.74 118.16 110.67 3pch n LYS 473 Ca 0.01 0.64 -0.14 0.00 -0.00 0.00 0.00 58.31 58.83 3pch n LYS 473 Cb 0.48 -2.16 -0.09 0.00 0.00 0.00 0.00 35.03 33.25 3pch n LYS 473 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.40 176.23 3pch s LEU 474 N -0.56 0.30 -0.04 3.14 2.96 -0.31 -5.03 118.68 119.15 3pch s LEU 474 Ca 0.57 0.74 0.06 0.00 -0.22 0.00 0.00 54.13 55.28 3pch s LEU 474 Cb -0.61 1.58 -0.02 0.00 0.50 0.00 0.00 46.19 47.65 3pch s LEU 474 CO 0.61 -0.25 -0.22 -0.63 -1.32 0.00 0.00 176.35 174.54 3pch s ILE 475 N -0.18 2.37 0.15 6.68 1.01 -1.26 -1.11 121.20 128.85 3pch s ILE 475 Ca -0.04 -0.98 -0.04 0.00 0.00 0.00 0.00 60.65 59.59 3pch s ILE 475 Cb -0.03 -1.86 0.02 0.00 0.01 0.00 0.00 42.46 40.59 3pch s ILE 475 CO 0.02 0.58 0.27 1.07 0.00 0.00 0.00 174.94 176.89 3pch n THR 476 N 2.50 0.00 -3.95 2.92 5.66 -0.44 -5.01 114.28 115.96 3pch n THR 476 Ca -0.17 -0.45 -0.13 0.00 -3.05 0.00 0.00 64.05 60.26 3pch n THR 476 Cb 0.52 0.39 -0.14 0.00 -1.55 0.00 0.00 70.33 69.55 3pch n THR 476 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 175.07 170.92 3pch s GLN 477 N -2.10 0.14 -0.07 1.09 -0.21 -1.26 -0.97 119.66 116.28 3pch s GLN 477 Ca 0.07 -0.13 -0.12 0.00 0.02 0.00 0.00 55.36 55.20 3pch s GLN 477 Cb -0.02 -0.09 -0.05 0.00 1.00 0.00 0.00 33.01 33.86 3pch s GLN 477 CO 0.05 0.02 0.30 -1.17 -2.12 0.00 0.00 175.29 172.37 3pch s LEU 478 N -0.24 4.41 0.30 2.90 0.20 0.43 -4.82 118.68 121.85 3pch s LEU 478 Ca -0.02 0.72 0.11 0.00 0.69 0.00 0.00 54.13 55.63 3pch s LEU 478 Cb -0.02 -2.38 -0.05 0.00 -0.43 0.00 0.00 46.19 43.31 3pch s LEU 478 CO -0.00 0.31 -0.16 -0.31 -0.29 0.00 0.00 176.35 175.90 3pch s TYR 479 N -0.78 2.29 -0.15 5.38 2.02 0.20 -2.04 117.35 124.27 3pch s TYR 479 Ca 0.20 -0.41 -0.04 0.00 -0.37 0.00 0.00 57.07 56.45 3pch s TYR 479 Cb -0.14 -1.11 -0.03 0.00 -0.40 0.00 0.00 41.96 40.28 3pch s TYR 479 CO 0.09 0.65 -0.01 -0.06 -1.57 0.00 0.00 175.55 174.64 3pch s PHE 480 N -2.58 3.10 0.07 2.71 0.40 -1.26 0.97 117.98 121.39 3pch s PHE 480 Ca 0.30 -0.13 -0.37 0.00 -0.60 0.00 0.00 56.93 56.14 3pch s PHE 480 Cb -0.02 -1.95 -0.18 0.00 0.51 0.00 0.00 43.02 41.38 3pch s PHE 480 CO 0.15 0.09 1.18 -1.91 0.70 0.00 0.00 175.22 175.43 3pch n GLU 481 N 3.29 0.68 -0.34 0.44 2.13 -0.41 -1.58 120.64 124.85 3pch n GLU 481 Ca -0.17 0.24 0.00 0.00 0.66 0.00 0.00 57.16 57.89 3pch n GLU 481 Cb 0.53 -1.78 0.00 0.00 0.27 0.00 0.00 31.44 30.45 3pch n GLU 481 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3pch n GLY 482 N 2.05 2.19 3.63 8.31 0.00 -1.26 -4.98 105.19 115.13 3pch n GLY 482 Ca 0.18 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.76 3pch n GLY 482 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3pch n ASP 483 N 0.00 3.62 0.29 1.61 -0.08 -0.62 -4.86 116.55 116.51 3pch n ASP 483 Ca 0.00 0.68 0.19 0.00 -1.51 0.00 0.00 54.79 54.15 3pch n ASP 483 Cb 0.00 -1.48 0.91 0.00 2.34 0.00 0.00 41.12 42.89 3pch n ASP 483 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3pch h PRO 484 N 11.74 0.00 0.00 -0.67 0.13 -1.94 -2.54 132.00 138.72 3pch h PRO 484 Ca -0.46 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.67 3pch h PRO 484 Cb 1.25 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.38 3pch h PRO 484 CO 0.95 0.00 -0.00 -0.07 -0.23 0.00 0.00 178.00 178.65 3pch h LEU 485 N 0.00 0.00 -0.44 1.56 3.38 -1.95 -3.35 115.31 114.51 3pch h LEU 485 Ca 0.00 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.04 3pch h LEU 485 Cb 0.24 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.92 3pch h LEU 485 CO 0.00 0.00 0.07 0.40 0.09 0.00 0.00 178.44 179.00 3pch h ILE 486 N 0.00 0.75 0.00 1.22 2.04 -1.83 -2.24 117.51 117.46 3pch h ILE 486 Ca -0.00 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 65.79 3pch h ILE 486 Cb 0.79 0.53 0.00 0.00 -0.74 0.00 0.00 36.82 37.40 3pch h ILE 486 CO 0.00 0.04 0.00 -0.81 0.00 0.00 0.00 178.15 177.38 3pch n PRO 487 N -5.12 0.19 0.00 2.37 -0.04 -1.26 -2.92 135.00 128.22 3pch n PRO 487 Ca 0.04 0.41 0.11 0.00 -0.04 0.00 0.00 63.50 64.02 3pch n PRO 487 Cb 0.21 -1.85 0.03 0.00 -0.04 0.00 0.00 33.50 31.85 3pch n PRO 487 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 3pch n MET 488 N -2.20 1.47 -2.94 0.54 2.81 -0.86 -4.95 117.12 110.98 3pch n MET 488 Ca 0.02 -1.21 -0.41 0.00 -1.81 0.00 0.00 57.70 54.30 3pch n MET 488 Cb 0.23 -1.47 -0.04 0.00 -0.71 0.00 0.00 33.22 31.22 3pch n MET 488 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3pch h PRO 490 N 7.17 0.25 -0.27 0.00 0.11 -1.91 0.22 132.00 137.58 3pch h PRO 490 Ca -0.33 -0.05 -0.15 0.00 0.11 0.00 0.00 66.00 65.58 3pch h PRO 490 Cb 1.15 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 3pch h PRO 490 CO 0.80 0.36 -0.41 0.82 -0.21 0.00 0.00 178.00 179.37 3pch h ILE 491 N 0.24 1.30 -0.34 4.15 2.04 -1.92 -1.96 117.51 121.02 3pch h ILE 491 Ca 0.05 -1.60 -0.02 0.00 1.00 0.00 0.00 64.86 64.29 3pch h ILE 491 Cb 0.33 1.68 -0.01 0.00 -0.74 0.00 0.00 36.82 38.07 3pch h ILE 491 CO 0.02 0.51 0.12 0.58 0.00 0.00 0.00 178.15 179.38 3pch h VAL 492 N 0.49 1.20 0.00 1.67 2.07 -1.74 -2.45 116.25 117.48 3pch h VAL 492 Ca 0.02 -0.62 0.00 0.00 0.82 0.00 0.00 66.70 66.93 3pch h VAL 492 Cb 1.00 0.96 0.00 0.00 -1.52 0.00 0.00 31.29 31.73 3pch h VAL 492 CO 0.09 0.21 0.00 0.29 0.02 0.00 0.00 177.57 178.19 3pch n LYS 493 N -4.68 0.06 0.30 1.57 5.02 0.73 -1.44 118.16 119.73 3pch n LYS 493 Ca -0.01 0.53 0.16 0.00 -2.02 0.00 0.00 58.31 56.97 3pch n LYS 493 Cb 0.15 -1.69 0.96 0.00 -0.02 0.00 0.00 35.03 34.42 3pch n LYS 493 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3pch h SER 494 N 0.00 0.00 -3.38 4.39 4.64 -0.85 -3.37 113.55 114.98 3pch h SER 494 Ca 0.00 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.72 3pch h SER 494 Cb 0.04 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 62.03 3pch h SER 494 CO 0.00 0.02 0.36 -0.63 -0.87 0.00 0.00 176.83 175.70 3pch s ILE 495 N -4.45 4.87 0.14 0.95 1.01 -0.52 -3.84 121.20 119.36 3pch s ILE 495 Ca -0.05 1.33 -0.11 0.00 0.00 0.00 0.00 60.65 61.82 3pch s ILE 495 Cb 0.14 -4.07 -0.05 0.00 0.01 0.00 0.00 42.46 38.49 3pch s ILE 495 CO 0.52 -0.09 1.47 0.00 0.00 0.00 0.00 174.94 176.84 3pch h ALA 496 N 7.87 0.56 -2.49 9.38 0.00 -1.84 -3.43 119.26 129.30 3pch h ALA 496 Ca -0.24 -0.47 -0.63 0.00 0.00 0.00 0.00 54.91 53.57 3pch h ALA 496 Cb 1.10 -0.11 -0.14 0.00 0.00 0.00 0.00 17.79 18.64 3pch h ALA 496 CO 0.84 0.68 0.00 1.21 0.00 0.00 0.00 179.25 181.99 3pch s ASN 497 N -6.86 6.39 0.58 0.00 3.04 -1.26 -4.95 114.94 111.88 3pch s ASN 497 Ca -0.11 0.27 0.31 0.00 0.04 0.00 0.00 52.86 53.37 3pch s ASN 497 Cb 0.11 -2.28 1.81 0.00 -1.54 0.00 0.00 41.25 39.34 3pch s ASN 497 CO 0.88 -0.41 2.23 1.55 -3.04 0.00 0.00 177.10 178.32 3pch h PRO 498 N 8.25 0.00 -0.19 0.43 0.13 -2.00 0.72 132.00 139.34 3pch h PRO 498 Ca -0.28 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.74 3pch h PRO 498 Cb 1.13 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.25 3pch h PRO 498 CO 0.76 0.02 -0.34 0.93 -0.23 0.00 0.00 178.00 179.14 3pch h GLU 499 N 0.00 0.39 -0.10 0.86 5.08 -1.97 -2.35 114.58 116.49 3pch h GLU 499 Ca -0.00 -0.17 -0.14 0.00 -1.00 0.00 0.00 59.36 58.05 3pch h GLU 499 Cb 0.07 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 3pch h GLU 499 CO 0.00 0.68 -0.56 0.00 -1.00 0.00 0.00 179.01 178.13 3pch h ALA 500 N 1.31 0.87 -0.62 3.43 0.00 -1.23 -2.97 119.26 120.06 3pch h ALA 500 Ca 0.04 -0.51 -0.00 0.00 0.00 0.00 0.00 54.91 54.43 3pch h ALA 500 Cb 0.76 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 3pch h ALA 500 CO 0.06 0.70 0.38 0.28 0.00 0.00 0.00 179.25 180.66 3pch h VAL 501 N 0.23 1.18 -0.78 0.00 2.07 -1.07 -2.33 116.25 115.55 3pch h VAL 501 Ca 0.00 -0.39 0.19 0.00 0.82 0.00 0.00 66.70 67.32 3pch h VAL 501 Cb 1.05 0.32 -0.05 0.00 -1.52 0.00 0.00 31.29 31.10 3pch h VAL 501 CO 0.09 0.18 0.53 1.56 0.02 0.00 0.00 177.57 179.96 3pch h GLN 502 N 0.84 0.24 0.00 1.57 1.08 -1.26 -0.33 115.11 117.24 3pch h GLN 502 Ca 0.22 -0.01 -0.00 0.00 -1.45 0.00 0.00 58.65 57.40 3pch h GLN 502 Cb -0.03 -0.05 -0.00 0.00 -0.05 0.00 0.00 27.48 27.34 3pch h GLN 502 CO -0.04 0.16 -0.02 1.96 -0.95 0.00 0.00 178.83 179.94 3pch h GLN 503 N 0.24 0.00 -0.09 1.46 4.20 -1.47 -2.22 115.11 117.23 3pch h GLN 503 Ca 0.39 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.10 3pch h GLN 503 Cb 1.15 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.93 3pch h GLN 503 CO -0.09 0.02 0.00 1.28 -0.67 0.00 0.00 178.83 179.37 3pch n LEU 504 N -3.13 2.21 -4.60 1.46 4.77 -0.13 -4.88 117.00 112.69 3pch n LEU 504 Ca -0.00 -0.80 -0.39 0.00 -0.03 0.00 0.00 56.01 54.78 3pch n LEU 504 Cb 0.25 -0.05 -0.09 0.00 -2.33 0.00 0.00 43.42 41.20 3pch n LEU 504 CO 0.26 0.40 0.03 -0.63 -1.33 0.00 0.00 177.39 176.13 3pch s ILE 505 N -1.90 5.19 0.09 -0.08 1.01 -0.84 0.60 121.20 125.27 3pch s ILE 505 Ca 0.34 0.52 -0.30 0.00 0.00 0.00 0.00 60.65 61.21 3pch s ILE 505 Cb 0.20 -3.68 -0.05 0.00 0.01 0.00 0.00 42.46 38.94 3pch s ILE 505 CO 0.31 0.17 1.04 0.00 0.00 0.00 0.00 174.94 176.46 3pch s ALA 506 N 2.03 3.28 -0.02 9.38 0.00 0.27 -4.83 121.76 131.87 3pch s ALA 506 Ca 0.14 0.67 -0.14 0.00 0.00 0.00 0.00 51.96 52.64 3pch s ALA 506 Cb -0.16 -3.34 -0.05 0.00 0.00 0.00 0.00 23.12 19.56 3pch s ALA 506 CO 0.10 -0.20 0.37 0.15 0.00 0.00 0.00 175.76 176.18 3pch s LYS 507 N 0.39 3.85 0.23 0.00 -0.14 -0.95 -1.28 119.74 121.83 3pch s LYS 507 Ca 0.51 0.33 -0.32 0.00 -1.36 0.00 0.00 55.97 55.13 3pch s LYS 507 Cb -0.25 -3.22 -0.13 0.00 -1.68 0.00 0.00 37.83 32.55 3pch s LYS 507 CO 0.30 0.70 1.49 -0.11 -0.76 0.00 0.00 175.35 176.97 3pch n LEU 508 N 1.87 3.32 -3.73 3.17 7.94 -1.26 -1.17 117.00 127.14 3pch n LEU 508 Ca -0.15 1.13 -0.30 0.00 -1.11 0.00 0.00 56.01 55.58 3pch n LEU 508 Cb 0.53 -1.46 -0.13 0.00 0.53 0.00 0.00 43.42 42.89 3pch n LEU 508 CO 0.36 -0.32 -0.24 -0.62 -1.11 0.00 0.00 177.39 175.46 3pch s ASP 509 N 0.50 3.71 0.51 1.96 2.15 0.29 -4.83 116.67 120.97 3pch s ASP 509 Ca 0.70 -2.62 0.25 0.00 0.43 0.00 0.00 52.55 51.31 3pch s ASP 509 Cb -0.63 -1.08 1.40 0.00 -0.30 0.00 0.00 42.92 42.31 3pch s ASP 509 CO 0.46 -0.27 2.08 0.24 -0.17 0.00 0.00 175.17 177.51 3pch h MET 510 N 6.75 0.00 0.00 4.34 2.86 -1.93 -2.58 114.93 124.37 3pch h MET 510 Ca -0.02 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.56 3pch h MET 510 Cb 0.93 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.58 3pch h MET 510 CO 0.50 0.12 -0.28 -0.91 1.06 0.00 0.00 176.91 177.40 3pch h ASN 511 N 0.00 0.00 -0.02 1.22 2.35 -1.94 -3.07 115.58 114.12 3pch h ASN 511 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3pch h ASN 511 Cb 0.29 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.66 3pch h ASN 511 CO 0.02 0.28 -0.26 -3.20 -1.65 0.00 0.00 177.43 172.61 3pch n ASN 512 N -4.11 2.43 -4.81 5.81 5.15 -0.98 -4.97 115.26 113.79 3pch n ASN 512 Ca -0.02 -1.72 -0.33 0.00 -0.60 0.00 0.00 54.58 51.91 3pch n ASN 512 Cb 0.33 0.27 -0.02 0.00 -0.53 0.00 0.00 39.78 39.83 3pch n ASN 512 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3pch s ALA 513 N -2.23 2.86 -0.40 5.20 0.00 -1.16 -4.76 121.76 121.26 3pch s ALA 513 Ca 0.22 0.47 -0.15 0.00 0.00 0.00 0.00 51.96 52.51 3pch s ALA 513 Cb 0.19 -3.22 0.02 0.00 0.00 0.00 0.00 23.12 20.10 3pch s ALA 513 CO 0.45 -0.45 0.29 -0.80 0.00 0.00 0.00 175.76 175.25 3pch s ASN 514 N -2.40 6.09 0.35 0.00 0.01 0.05 -5.00 114.94 114.04 3pch s ASN 514 Ca 0.65 -0.88 -0.26 0.00 -0.71 0.00 0.00 52.86 51.66 3pch s ASN 514 Cb -0.15 -2.15 -0.13 0.00 0.41 0.00 0.00 41.25 39.23 3pch s ASN 514 CO 0.27 -0.43 0.96 -2.65 -1.51 0.00 0.00 177.10 173.73 3pch n PRO 515 N 5.15 1.26 -1.47 -0.60 -0.02 -1.26 -0.79 135.00 137.27 3pch n PRO 515 Ca -0.11 0.45 -0.16 0.00 -2.02 0.00 0.00 63.50 61.65 3pch n PRO 515 Cb 0.47 -1.87 -0.07 0.00 -0.02 0.00 0.00 33.50 32.01 3pch n PRO 515 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 3pch n MET 516 N 0.50 -1.39 0.08 -0.52 2.81 -1.26 -4.67 117.12 112.67 3pch n MET 516 Ca 0.10 0.98 0.00 0.00 -1.81 0.00 0.00 57.70 56.96 3pch n MET 516 Cb 0.35 -5.28 0.00 0.00 -0.71 0.00 0.00 33.22 27.58 3pch n MET 516 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 3pch n ASP 517 N -0.89 0.03 -3.70 7.83 2.03 0.03 -5.15 116.55 116.73 3pch n ASP 517 Ca -0.16 0.25 -0.14 0.00 0.52 0.00 0.00 54.79 55.26 3pch n ASP 517 Cb 0.55 0.17 -0.08 0.00 -0.72 0.00 0.00 41.12 41.03 3pch n ASP 517 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3pch n LEU 519 N 1.37 0.00 -3.76 0.00 4.77 -0.66 -0.77 117.00 117.95 3pch n LEU 519 Ca -0.20 -1.57 -0.13 0.00 -0.03 0.00 0.00 56.01 54.07 3pch n LEU 519 Cb 0.56 -0.83 -0.09 0.00 -2.33 0.00 0.00 43.42 40.74 3pch n LEU 519 CO 0.21 -1.23 0.02 0.00 -1.33 0.00 0.00 177.39 175.06 3pch s ALA 520 N -3.69 -0.79 -0.01 -1.18 0.00 -1.26 -1.11 121.76 113.73 3pch s ALA 520 Ca 0.67 0.35 0.05 0.00 0.00 0.00 0.00 51.96 53.03 3pch s ALA 520 Cb -0.02 0.05 -0.01 0.00 0.00 0.00 0.00 23.12 23.14 3pch s ALA 520 CO 0.46 -0.26 -0.16 0.71 0.00 0.00 0.00 175.76 176.52 3pch s TYR 521 N -1.27 1.41 -0.15 0.00 2.02 0.42 0.10 117.35 119.88 3pch s TYR 521 Ca -0.13 -0.27 -0.05 0.00 -0.37 0.00 0.00 57.07 56.25 3pch s TYR 521 Cb -0.05 -0.91 -0.03 0.00 -0.40 0.00 0.00 41.96 40.57 3pch s TYR 521 CO 0.04 -0.02 0.00 0.50 -1.57 0.00 0.00 175.55 174.50 3pch s ARG 522 N -0.40 3.68 -0.28 -0.62 6.06 -0.32 -1.05 118.95 126.02 3pch s ARG 522 Ca 0.06 -0.45 -0.04 0.00 -2.50 0.00 0.00 55.73 52.81 3pch s ARG 522 Cb -0.06 -3.00 0.10 0.00 0.06 0.00 0.00 34.95 32.06 3pch s ARG 522 CO -0.01 0.32 0.15 0.12 -2.50 0.00 0.00 175.30 173.39 3pch s PHE 523 N 0.19 0.18 0.28 5.12 5.36 0.18 -2.25 117.98 127.04 3pch s PHE 523 Ca 0.01 -0.73 -0.13 0.00 -0.96 0.00 0.00 56.93 55.12 3pch s PHE 523 Cb -0.13 -0.81 -0.08 0.00 -0.34 0.00 0.00 43.02 41.65 3pch s PHE 523 CO 0.02 -0.82 0.66 -0.51 -1.46 0.00 0.00 175.22 173.11 3pch s ASP 524 N 2.15 6.74 -0.05 6.13 1.01 -1.26 -4.02 116.67 127.37 3pch s ASP 524 Ca 0.09 1.15 0.02 0.00 0.71 0.00 0.00 52.55 54.52 3pch s ASP 524 Cb -0.16 -2.32 0.01 0.00 1.01 0.00 0.00 42.92 41.46 3pch s ASP 524 CO -0.35 -0.13 -0.10 -0.63 0.21 0.00 0.00 175.17 174.17 3pch s ILE 525 N -1.87 0.95 -0.20 0.77 1.01 0.23 -4.94 121.20 117.15 3pch s ILE 525 Ca 0.50 -0.40 -0.02 0.00 0.00 0.00 0.00 60.65 60.74 3pch s ILE 525 Cb -0.11 -0.86 0.00 0.00 0.01 0.00 0.00 42.46 41.50 3pch s ILE 525 CO 0.19 0.30 -0.11 -0.69 0.00 0.00 0.00 174.94 174.63 3pch s VAL 526 N 0.50 2.80 0.28 2.92 1.01 -1.25 -0.47 120.40 126.19 3pch s VAL 526 Ca -0.10 -0.69 0.06 0.00 0.00 0.00 0.00 61.98 61.25 3pch s VAL 526 Cb -0.13 -2.23 -0.02 0.00 0.00 0.00 0.00 36.38 33.99 3pch s VAL 526 CO 0.02 0.48 0.40 -0.76 0.00 0.00 0.00 175.10 175.24 3pch s LEU 527 N 1.34 4.14 0.30 3.92 1.43 0.11 -4.93 118.68 125.01 3pch s LEU 527 Ca 0.05 -0.06 -0.27 0.00 -1.03 0.00 0.00 54.13 52.81 3pch s LEU 527 Cb -0.14 -2.78 -0.14 0.00 0.03 0.00 0.00 46.19 43.16 3pch s LEU 527 CO -0.07 -0.23 0.92 0.54 0.23 0.00 0.00 176.35 177.74 3pch n ARG 528 N -1.50 1.14 -2.19 1.70 1.74 -1.26 -1.22 116.66 115.07 3pch n ARG 528 Ca -0.05 0.40 -0.41 0.00 -0.77 0.00 0.00 57.85 57.02 3pch n ARG 528 Cb 0.58 -1.74 -0.03 0.00 -1.02 0.00 0.00 32.46 30.25 3pch n ARG 528 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 3pch s GLY 529 N -0.66 2.82 -0.15 -0.13 0.00 -1.26 -4.25 107.32 103.69 3pch s GLY 529 Ca 0.60 1.17 -0.03 0.00 0.00 0.00 0.00 44.72 46.46 3pch s GLY 529 CO 0.59 1.92 -0.05 1.62 0.00 0.00 0.00 173.10 177.18 3pch s GLN 530 N -1.21 3.60 0.13 2.90 0.74 -1.26 -0.80 119.66 123.76 3pch s GLN 530 Ca 0.51 -0.54 0.02 0.00 0.05 0.00 0.00 55.36 55.41 3pch s GLN 530 Cb -0.38 -2.87 -0.04 0.00 1.10 0.00 0.00 33.01 30.82 3pch s GLN 530 CO 0.47 0.27 -0.05 -0.98 -0.55 0.00 0.00 175.29 174.44 3pch s ARG 531 N 0.29 0.95 0.56 1.67 1.70 -0.40 -4.95 118.95 118.76 3pch s ARG 531 Ca -0.04 -1.41 -0.08 0.00 -0.47 0.00 0.00 55.73 53.73 3pch s ARG 531 Cb -0.14 -0.30 -0.03 0.00 -0.57 0.00 0.00 34.95 33.91 3pch s ARG 531 CO 0.03 -0.03 0.90 -1.59 -1.08 0.00 0.00 175.30 173.53 3pch s LYS 532 N -3.84 3.43 0.75 3.89 -2.85 -1.26 -0.42 119.74 119.44 3pch s LYS 532 Ca 0.16 0.37 -0.11 0.00 -1.00 0.00 0.00 55.97 55.40 3pch s LYS 532 Cb 0.05 -2.24 0.04 0.00 -2.06 0.00 0.00 37.83 33.63 3pch s LYS 532 CO -0.01 -0.45 1.08 0.95 0.10 0.00 0.00 175.35 177.01 3pch s THR 533 N -2.97 3.53 -0.20 3.79 -4.23 -1.23 -4.67 115.64 109.66 3pch s THR 533 Ca 0.52 0.50 -0.22 0.00 -1.18 0.00 0.00 61.69 61.30 3pch s THR 533 Cb -0.11 -3.09 0.06 0.00 1.34 0.00 0.00 72.50 70.70 3pch s THR 533 CO 0.48 -0.65 0.61 -1.38 -0.54 0.00 0.00 174.62 173.14 3pch s HIS 534 N -2.97 -0.65 -1.85 3.99 -3.43 -1.26 -4.95 115.29 104.17 3pch s HIS 534 Ca 0.60 1.51 -0.22 0.00 -0.80 0.00 0.00 55.06 56.15 3pch s HIS 534 Cb -0.16 0.25 0.22 0.00 -1.43 0.00 0.00 32.58 31.45 3pch s HIS 534 CO 0.56 -0.36 0.60 1.19 -2.00 0.00 0.00 174.74 174.72 3pch n PHE 535 N 2.44 -1.25 1.56 0.38 3.72 -1.26 -5.24 117.46 117.82 3pch n PHE 535 Ca -0.15 0.70 0.14 0.00 -0.05 0.00 0.00 57.45 58.10 3pch n PHE 535 Cb 0.56 -2.06 0.58 0.00 -0.94 0.00 0.00 39.48 37.62 3pch n PHE 535 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10