#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 1.94 0.06 3.55 0.00 -1.26 -5.05 121.76 121.00 3pck s ALA 302 Ca 0.00 0.78 0.04 0.00 0.00 0.00 0.00 51.96 52.78 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 -2.13 -0.12 -0.65 0.00 0.00 0.00 175.76 172.86 3pck s GLN 303 N -4.17 0.72 -1.16 0.00 -0.21 -1.26 -5.08 119.66 108.50 3pck s GLN 303 Ca 0.72 -0.88 -0.19 0.00 0.02 0.00 0.00 55.36 55.03 3pck s GLN 303 Cb -0.27 -0.65 0.08 0.00 1.00 0.00 0.00 33.01 33.18 3pck s GLN 303 CO 0.49 0.14 1.54 0.34 -2.12 0.00 0.00 175.29 175.68 3pck s ASP 304 N -1.66 6.74 0.00 5.90 2.15 -1.26 -4.66 116.67 123.88 3pck s ASP 304 Ca -0.05 -2.16 0.03 0.00 0.43 0.00 0.00 52.55 50.81 3pck s ASP 304 Cb -0.10 -2.53 -0.01 0.00 -0.30 0.00 0.00 42.92 39.98 3pck s ASP 304 CO 0.02 -1.21 0.32 -0.46 -0.17 0.00 0.00 175.17 173.66 3pck n ASN 305 N 7.99 0.59 -4.27 -0.34 0.23 -1.26 -5.03 115.26 113.18 3pck n ASN 305 Ca 0.40 -0.80 -0.15 0.00 -0.53 0.00 0.00 54.58 53.50 3pck n ASN 305 Cb 0.48 0.61 -0.10 0.00 -2.08 0.00 0.00 39.78 38.69 3pck n ASN 305 CO 0.00 0.00 0.00 -0.44 -0.93 0.00 0.00 177.26 175.89 3pck s SER 306 N -0.91 1.91 0.05 0.53 0.01 -1.26 -3.66 113.70 110.37 3pck s SER 306 Ca 0.02 -1.04 0.06 0.00 1.31 0.00 0.00 55.95 56.31 3pck s SER 306 Cb 0.03 -0.03 -0.03 0.00 0.21 0.00 0.00 66.02 66.20 3pck s SER 306 CO 0.10 -0.33 -0.17 -0.13 0.41 0.00 0.00 173.24 173.12 3pck s ARG 307 N -3.75 1.06 -0.11 12.44 1.81 -0.19 -4.88 118.95 125.34 3pck s ARG 307 Ca 0.19 -0.90 0.01 0.00 -1.72 0.00 0.00 55.73 53.31 3pck s ARG 307 Cb 0.02 -1.14 -0.02 0.00 -0.45 0.00 0.00 34.95 33.37 3pck s ARG 307 CO 0.02 0.28 -0.14 -0.06 -0.68 0.00 0.00 175.30 174.72 3pck s PHE 308 N -0.95 2.77 0.23 -0.53 0.40 -1.26 -1.83 117.98 116.81 3pck s PHE 308 Ca 0.03 -0.52 -0.32 0.00 -0.60 0.00 0.00 56.93 55.53 3pck s PHE 308 Cb -0.09 -1.78 -0.13 0.00 0.51 0.00 0.00 43.02 41.54 3pck s PHE 308 CO 0.02 -0.11 1.53 0.28 0.70 0.00 0.00 175.22 177.65 3pck n VAL 309 N 3.18 0.64 -1.65 -0.44 0.31 0.37 -4.87 118.33 115.87 3pck n VAL 309 Ca -0.18 -0.16 -0.47 0.00 -0.01 0.00 0.00 64.34 63.53 3pck n VAL 309 Cb 0.53 -1.67 -0.04 0.00 -0.91 0.00 0.00 33.84 31.74 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 2.55 0.47 -2.11 2.52 2.08 -1.26 -4.61 119.36 119.00 3pck n ILE 310 Ca 0.13 -0.12 -0.37 0.00 0.56 0.00 0.00 62.75 62.95 3pck n ILE 310 Cb 0.33 -1.34 0.01 0.00 -0.75 0.00 0.00 39.64 37.88 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 0.19 3.38 -0.52 0.38 0.52 -1.26 -4.98 118.95 116.67 3pck s ARG 311 Ca 0.75 1.84 -0.15 0.00 -0.52 0.00 0.00 55.73 57.64 3pck s ARG 311 Cb -0.72 -2.19 0.12 0.00 0.52 0.00 0.00 34.95 32.68 3pck s ARG 311 CO 0.45 -0.88 0.47 0.34 0.02 0.00 0.00 175.30 175.70 3pck s ASP 312 N -1.42 6.14 0.00 0.23 2.15 -1.26 -4.91 116.67 117.60 3pck s ASP 312 Ca 0.70 -1.71 0.18 0.00 0.43 0.00 0.00 52.55 52.14 3pck s ASP 312 Cb -0.30 -2.19 0.96 0.00 -0.30 0.00 0.00 42.92 41.09 3pck s ASP 312 CO 0.35 -0.81 1.50 0.54 -0.17 0.00 0.00 175.17 176.59 3pck n ARG 313 N 5.21 0.38 0.02 4.34 1.74 -1.26 -1.30 116.66 125.78 3pck n ARG 313 Ca -0.13 0.07 0.11 0.00 -0.77 0.00 0.00 57.85 57.13 3pck n ARG 313 Cb 0.41 -1.50 -0.10 0.00 -1.02 0.00 0.00 32.46 30.25 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 -1.17 0.39 -0.07 0.55 3.02 -1.26 -4.38 115.26 112.34 3pck n ASN 314 Ca 0.10 -0.13 -0.11 0.00 -0.03 0.00 0.00 54.58 54.41 3pck n ASN 314 Cb 0.11 1.39 -0.09 0.00 -0.61 0.00 0.00 39.78 40.57 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 -1.61 -3.44 115.95 112.63 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 0.88 0.00 0.14 0.00 -0.51 0.00 0.00 29.16 29.66 3pck h TRP 315 CO 0.00 0.76 0.30 -1.01 -1.03 0.00 0.00 178.44 177.46 3pck s HIS 316 N -2.06 2.48 0.65 2.65 3.76 -0.95 -4.69 115.29 117.12 3pck s HIS 316 Ca -0.15 1.52 -0.17 0.00 -0.15 0.00 0.00 55.06 56.11 3pck s HIS 316 Cb -0.01 -3.08 -0.01 0.00 1.11 0.00 0.00 32.58 30.59 3pck s HIS 316 CO 0.49 -1.95 1.21 -1.25 -0.85 0.00 0.00 174.74 172.39 3pck s PRO 317 N -4.89 2.66 0.66 8.40 0.04 -1.26 -4.80 135.00 135.80 3pck s PRO 317 Ca 0.62 1.79 -0.08 0.00 0.04 0.00 0.00 61.00 63.37 3pck s PRO 317 Cb -0.18 -1.89 0.03 0.00 0.04 0.00 0.00 34.50 32.50 3pck s PRO 317 CO 0.56 -1.44 0.99 0.15 0.04 0.00 0.00 177.00 177.30 3pck s LYS 318 N -3.58 2.66 0.04 4.56 -0.14 -1.24 -4.99 119.74 117.05 3pck s LYS 318 Ca 0.76 0.05 -0.26 0.00 -1.36 0.00 0.00 55.97 55.16 3pck s LYS 318 Cb -0.30 -2.17 -0.17 0.00 -1.68 0.00 0.00 37.83 33.51 3pck s LYS 318 CO 0.38 -0.97 1.45 0.00 -0.76 0.00 0.00 175.35 175.45 3pck h ALA 319 N -0.45 -0.26 -2.04 5.17 0.00 -1.95 -3.40 119.26 116.32 3pck h ALA 319 Ca -0.45 -0.14 -0.67 0.00 0.00 0.00 0.00 54.91 53.64 3pck h ALA 319 Cb 1.28 0.10 -0.17 0.00 0.00 0.00 0.00 17.79 18.99 3pck h ALA 319 CO 0.62 -0.54 0.13 -1.17 0.00 0.00 0.00 179.25 178.29 3pck s LEU 320 N -9.73 4.86 -0.54 0.00 2.96 -1.26 -4.80 118.68 110.17 3pck s LEU 320 Ca -0.15 -0.86 0.04 0.00 -0.22 0.00 0.00 54.13 52.95 3pck s LEU 320 Cb 0.03 -2.49 0.17 0.00 0.50 0.00 0.00 46.19 44.40 3pck s LEU 320 CO 0.62 -0.95 0.40 0.42 -1.32 0.00 0.00 176.35 175.51 3pck s THR 321 N 2.83 1.53 0.55 3.68 -4.23 -1.26 -5.03 115.64 113.71 3pck s THR 321 Ca 0.17 -3.35 0.46 0.00 -1.18 0.00 0.00 61.69 57.79 3pck s THR 321 Cb -0.18 -2.02 0.68 0.00 1.34 0.00 0.00 72.50 72.31 3pck s THR 321 CO 0.13 -1.11 1.64 1.55 -0.54 0.00 0.00 174.62 176.29 3pck h PRO 322 N 5.62 0.01 0.00 3.99 0.13 -1.94 0.25 132.00 140.06 3pck h PRO 322 Ca 0.19 -0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.31 3pck h PRO 322 Cb 0.84 -0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.97 3pck h PRO 322 CO 0.53 0.00 -0.07 -0.44 -0.23 0.00 0.00 178.00 177.79 3pck h ASP 323 N 0.01 0.00 -3.41 1.44 3.32 -1.95 -3.22 116.42 112.60 3pck h ASP 323 Ca 0.84 0.00 -0.78 0.00 0.02 0.00 0.00 57.03 57.10 3pck h ASP 323 Cb 3.32 0.00 -0.26 0.00 0.22 0.00 0.00 39.33 42.61 3pck h ASP 323 CO -0.03 0.07 0.47 -0.47 -1.72 0.00 0.00 179.24 177.56 3pck s TYR 324 N -3.86 3.97 0.23 4.55 5.04 0.89 -4.86 117.35 123.29 3pck s TYR 324 Ca -0.01 -2.34 -0.11 0.00 -2.44 0.00 0.00 57.07 52.17 3pck s TYR 324 Cb 0.11 -3.92 0.31 0.00 0.35 0.00 0.00 41.96 38.81 3pck s TYR 324 CO 0.55 -1.05 1.37 1.63 -1.34 0.00 0.00 175.55 176.71 3pck n LYS 325 N 3.65 -0.14 0.31 4.97 5.02 -1.22 -0.13 118.16 130.63 3pck n LYS 325 Ca 0.22 1.37 0.18 0.00 -2.02 0.00 0.00 58.31 58.06 3pck n LYS 325 Cb 0.43 -2.04 1.01 0.00 -0.02 0.00 0.00 35.03 34.42 3pck n LYS 325 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 3pck h THR 326 N 0.00 0.31 0.00 -0.18 2.02 -1.92 -2.03 112.91 111.12 3pck h THR 326 Ca 0.37 -0.06 -0.02 0.00 0.77 0.00 0.00 66.41 67.46 3pck h THR 326 Cb 0.59 1.05 -0.00 0.00 -1.74 0.00 0.00 68.15 68.04 3pck h THR 326 CO -0.89 0.01 -0.10 0.77 0.37 0.00 0.00 175.52 175.68 3pck h SER 327 N 0.00 0.00 -0.24 4.18 4.64 -0.83 -3.13 113.55 118.17 3pck h SER 327 Ca -0.00 0.00 0.06 0.00 -0.47 0.00 0.00 61.79 61.38 3pck h SER 327 Cb 0.04 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.07 3pck h SER 327 CO 0.00 0.10 -0.15 0.40 -0.87 0.00 0.00 176.83 176.31 3pck h ILE 328 N 0.00 0.57 -0.00 0.95 2.04 -1.48 -2.74 117.51 116.84 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 0.45 0.57 0.00 0.00 -0.74 0.00 0.00 36.82 37.10 3pck h ILE 328 CO 0.01 0.00 -0.52 0.00 0.00 0.00 0.00 178.15 177.64 3pck n ALA 329 N -2.65 3.61 -1.22 1.87 0.00 -1.21 -4.08 120.51 116.84 3pck n ALA 329 Ca -0.01 -0.38 -0.02 0.00 0.00 0.00 0.00 53.44 53.03 3pck n ALA 329 Cb 0.23 -1.09 0.23 0.00 0.00 0.00 0.00 19.45 18.82 3pck n ALA 329 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3pck n ARG 330 N -1.40 2.52 -5.16 0.00 1.74 -1.07 -4.95 116.66 108.34 3pck n ARG 330 Ca 0.06 -3.04 -0.31 0.00 -0.77 0.00 0.00 57.85 53.79 3pck n ARG 330 Cb 0.34 -1.92 -0.17 0.00 -1.02 0.00 0.00 32.46 29.69 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 -2.01 2.91 0.61 0.55 1.04 -1.06 -4.99 113.70 110.77 3pck s SER 331 Ca 0.46 -0.51 -0.19 0.00 0.48 0.00 0.00 55.95 56.19 3pck s SER 331 Cb 0.40 -1.09 -0.02 0.00 0.10 0.00 0.00 66.02 65.40 3pck s SER 331 CO 0.06 0.18 1.31 -2.16 0.98 0.00 0.00 173.24 173.62 3pck s PRO 332 N 0.15 2.75 -0.15 4.02 0.04 -1.26 -4.93 135.00 135.62 3pck s PRO 332 Ca -0.12 2.12 0.19 0.00 0.04 0.00 0.00 61.00 63.23 3pck s PRO 332 Cb -0.16 -1.98 -0.27 0.00 0.04 0.00 0.00 34.50 32.13 3pck s PRO 332 CO 0.06 -1.46 0.19 0.54 0.04 0.00 0.00 177.00 176.37 3pck n ARG 333 N -1.62 0.72 -2.13 4.56 5.12 -1.26 -4.93 116.66 117.12 3pck n ARG 333 Ca 0.14 -0.06 -0.30 0.00 -1.93 0.00 0.00 57.85 55.70 3pck n ARG 333 Cb 0.47 -1.51 0.01 0.00 -1.16 0.00 0.00 32.46 30.27 3pck n ARG 333 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 3pck s GLN 334 N -2.78 3.57 0.40 5.56 -1.52 -1.26 -5.04 119.66 118.59 3pck s GLN 334 Ca -0.09 0.56 -0.24 0.00 -1.95 0.00 0.00 55.36 53.64 3pck s GLN 334 Cb 0.08 -2.18 -0.09 0.00 -0.22 0.00 0.00 33.01 30.60 3pck s GLN 334 CO 0.84 -0.45 1.05 0.00 -0.25 0.00 0.00 175.29 176.48 3pck s ALA 335 N -3.04 3.09 0.63 6.09 0.00 -1.26 -5.01 121.76 122.26 3pck s ALA 335 Ca 0.52 0.70 -0.18 0.00 0.00 0.00 0.00 51.96 53.00 3pck s ALA 335 Cb -0.11 -3.27 -0.02 0.00 0.00 0.00 0.00 23.12 19.72 3pck s ALA 335 CO 0.51 -0.21 1.24 -0.51 0.00 0.00 0.00 175.76 176.79 3pck s LEU 336 N -2.64 3.60 -0.33 0.00 1.43 -1.26 -4.99 118.68 114.49 3pck s LEU 336 Ca 0.58 2.48 -0.12 0.00 -1.03 0.00 0.00 54.13 56.03 3pck s LEU 336 Cb -0.22 -4.61 -0.02 0.00 0.03 0.00 0.00 46.19 41.37 3pck s LEU 336 CO 0.27 -1.82 0.22 -0.69 0.23 0.00 0.00 176.35 174.57 3pck s VAL 337 N -1.55 5.22 0.23 -1.59 1.01 -1.26 -5.07 120.40 117.38 3pck s VAL 337 Ca 0.79 -0.18 -0.30 0.00 0.00 0.00 0.00 61.98 62.30 3pck s VAL 337 Cb -0.33 -3.65 -0.09 0.00 0.00 0.00 0.00 36.38 32.31 3pck s VAL 337 CO 0.37 0.04 1.13 -0.44 0.00 0.00 0.00 175.10 176.20 3pck s SER 338 N 1.72 7.20 0.04 3.32 0.01 -1.26 -5.05 113.70 119.68 3pck s SER 338 Ca 0.06 2.23 0.03 0.00 1.31 0.00 0.00 55.95 59.58 3pck s SER 338 Cb -0.17 -2.62 -0.02 0.00 0.21 0.00 0.00 66.02 63.42 3pck s SER 338 CO 0.10 -0.24 -0.09 0.27 0.41 0.00 0.00 173.24 173.69 3pck s ILE 339 N -0.63 0.70 0.63 1.44 -4.36 -1.26 -5.14 121.20 112.58 3pck s ILE 339 Ca 0.48 -1.02 -0.17 0.00 -0.26 0.00 0.00 60.65 59.68 3pck s ILE 339 Cb -0.32 -0.72 -0.02 0.00 1.25 0.00 0.00 42.46 42.66 3pck s ILE 339 CO 0.39 -0.25 1.15 -2.16 0.24 0.00 0.00 174.94 174.30 3pck s PRO 340 N -1.40 2.88 0.21 0.37 0.04 -1.26 -4.97 135.00 130.88 3pck s PRO 340 Ca -0.06 1.58 -0.30 0.00 0.04 0.00 0.00 61.00 62.27 3pck s PRO 340 Cb -0.09 -1.94 -0.08 0.00 0.04 0.00 0.00 34.50 32.42 3pck s PRO 340 CO 0.01 -1.22 1.20 -0.65 0.04 0.00 0.00 177.00 176.38 3pck s GLN 341 N -3.71 4.50 0.37 4.56 -0.21 -1.26 -5.01 119.66 118.90 3pck s GLN 341 Ca 0.72 1.90 0.04 0.00 0.02 0.00 0.00 55.36 58.03 3pck s GLN 341 Cb -0.24 -3.22 -0.03 0.00 1.00 0.00 0.00 33.01 30.52 3pck s GLN 341 CO 0.36 -0.06 0.14 -1.54 -2.12 0.00 0.00 175.29 172.07 3pck s SER 342 N -0.04 2.39 0.45 5.90 1.04 -1.26 -5.01 113.70 117.16 3pck s SER 342 Ca 0.52 -1.63 0.18 0.00 0.48 0.00 0.00 55.95 55.50 3pck s SER 342 Cb -0.33 0.43 1.13 0.00 0.10 0.00 0.00 66.02 67.34 3pck s SER 342 CO 0.38 -0.90 1.93 -0.29 0.98 0.00 0.00 173.24 175.34 3pck h ILE 343 N 1.94 0.78 -0.49 -1.02 2.10 -1.96 0.12 117.51 118.97 3pck h ILE 343 Ca -0.35 -0.11 0.07 0.00 1.08 0.00 0.00 64.86 65.55 3pck h ILE 343 Cb 1.26 0.42 -0.06 0.00 -1.09 0.00 0.00 36.82 37.35 3pck h ILE 343 CO 0.55 0.06 0.16 0.28 -1.08 0.00 0.00 178.15 178.12 3pck h SER 344 N 0.33 0.14 1.08 2.19 0.02 -1.96 -3.06 113.55 112.29 3pck h SER 344 Ca 0.35 0.07 -0.04 0.00 -0.84 0.00 0.00 61.79 61.33 3pck h SER 344 Cb 0.91 0.06 -0.01 0.00 0.14 0.00 0.00 62.40 63.50 3pck h SER 344 CO -0.10 0.11 -0.95 -0.33 -1.14 0.00 0.00 176.83 174.43 3pck h GLU 345 N 0.33 0.00 -0.60 3.45 3.07 -1.49 -3.39 114.58 115.95 3pck h GLU 345 Ca 0.24 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.10 3pck h GLU 345 Cb 0.27 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.18 3pck h GLU 345 CO -0.26 0.09 0.00 0.25 -1.40 0.00 0.00 179.01 177.69 3pck n THR 346 N -2.80 0.80 -4.58 1.13 -2.24 -0.14 -3.08 114.28 103.37 3pck n THR 346 Ca -0.02 -0.90 -0.27 0.00 -2.27 0.00 0.00 64.05 60.60 3pck n THR 346 Cb 0.62 0.70 -0.11 0.00 -2.10 0.00 0.00 70.33 69.44 3pck n THR 346 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3pck s THR 347 N -1.20 2.04 0.04 4.28 -4.23 -1.17 -4.74 115.64 110.67 3pck s THR 347 Ca 0.45 -2.08 -0.28 0.00 -1.18 0.00 0.00 61.69 58.59 3pck s THR 347 Cb 0.24 -2.84 0.10 0.00 1.34 0.00 0.00 72.50 71.35 3pck s THR 347 CO 0.33 -0.09 1.19 -0.83 -0.54 0.00 0.00 174.62 174.68 3pck s GLY 348 N -3.65 -0.31 0.52 3.99 0.00 -1.23 -1.81 107.32 104.83 3pck s GLY 348 Ca 0.34 0.42 -0.20 0.00 0.00 0.00 0.00 44.72 45.28 3pck s GLY 348 CO 0.17 0.74 1.11 2.56 0.00 0.00 0.00 173.10 177.68 3pck s PRO 349 N -2.58 3.50 -0.20 2.90 0.04 -1.26 -4.88 135.00 132.52 3pck s PRO 349 Ca 0.16 1.57 -0.01 0.00 0.04 0.00 0.00 61.00 62.75 3pck s PRO 349 Cb 0.02 -2.06 0.01 0.00 0.04 0.00 0.00 34.50 32.51 3pck s PRO 349 CO -0.01 -0.72 -0.13 1.21 0.04 0.00 0.00 177.00 177.39 3pck s ASN 350 N -1.78 3.67 -0.20 6.66 3.84 -1.26 -4.90 114.94 120.97 3pck s ASN 350 Ca 0.71 -0.53 0.12 0.00 0.21 0.00 0.00 52.86 53.37 3pck s ASN 350 Cb -0.23 -1.60 0.71 0.00 -0.55 0.00 0.00 41.25 39.59 3pck s ASN 350 CO 0.26 -0.01 1.58 0.49 -2.79 0.00 0.00 177.10 176.64 3pck n PHE 351 N 4.67 1.79 -0.25 0.43 3.72 -1.26 -4.58 117.46 121.98 3pck n PHE 351 Ca -0.20 -0.62 0.08 0.00 -0.05 0.00 0.00 57.45 56.66 3pck n PHE 351 Cb 0.50 -0.45 0.34 0.00 -0.94 0.00 0.00 39.48 38.93 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 3.48 0.72 -0.49 4.37 0.02 -1.96 -1.44 113.55 118.24 3pck h SER 352 Ca 0.00 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 3pck h SER 352 Cb 1.77 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 64.18 3pck h SER 352 CO 0.42 0.42 0.00 1.41 -1.14 0.00 0.00 176.83 177.94 3pck n HIS 353 N -4.52 0.66 -2.25 3.45 8.25 -1.26 -4.91 115.22 114.63 3pck n HIS 353 Ca 0.15 -0.33 -0.41 0.00 -0.26 0.00 0.00 57.72 56.87 3pck n HIS 353 Cb 0.33 -0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.41 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 -1.00 4.43 -0.93 2.41 2.96 -0.55 -4.93 118.68 121.08 3pck s LEU 354 Ca 0.33 2.40 -0.22 0.00 -0.22 0.00 0.00 54.13 56.42 3pck s LEU 354 Cb 0.17 -3.62 0.08 0.00 0.50 0.00 0.00 46.19 43.32 3pck s LEU 354 CO 0.22 -0.47 1.27 -0.83 -1.32 0.00 0.00 176.35 175.22 3pck s GLY 355 N 0.11 1.47 0.29 7.98 0.00 -1.26 -5.00 107.32 110.91 3pck s GLY 355 Ca 0.54 -2.31 -0.28 0.00 0.00 0.00 0.00 44.72 42.67 3pck s GLY 355 CO 0.40 2.39 0.96 -1.36 0.00 0.00 0.00 173.10 175.48 3pck s PHE 356 N 4.15 3.78 0.82 1.90 0.40 -1.26 -5.05 117.98 122.73 3pck s PHE 356 Ca 0.38 1.83 -0.11 0.00 -0.60 0.00 0.00 56.93 58.42 3pck s PHE 356 Cb -0.04 -2.98 0.09 0.00 0.51 0.00 0.00 43.02 40.59 3pck s PHE 356 CO -0.06 0.22 1.09 0.20 0.70 0.00 0.00 175.22 177.37 3pck s GLY 357 N -1.38 1.64 0.41 4.36 0.00 -1.26 -4.95 107.32 106.14 3pck s GLY 357 Ca 0.46 -0.01 0.15 0.00 0.00 0.00 0.00 44.72 45.33 3pck s GLY 357 CO 0.29 0.41 1.90 0.00 0.00 0.00 0.00 173.10 175.70 3pck h ALA 358 N -1.26 1.45 -0.19 3.20 0.00 -2.02 -3.12 119.26 117.32 3pck h ALA 358 Ca -0.47 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.18 3pck h ALA 358 Cb 1.26 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 3pck h ALA 358 CO 0.55 0.35 -0.00 0.72 0.00 0.00 0.00 179.25 180.87 3pck n HIS 359 N -4.08 0.68 -0.24 0.00 8.25 -1.26 -4.76 115.22 113.81 3pck n HIS 359 Ca -0.02 -0.94 0.09 0.00 -0.26 0.00 0.00 57.72 56.59 3pck n HIS 359 Cb 0.34 -0.27 0.36 0.00 1.12 0.00 0.00 29.99 31.54 3pck n HIS 359 CO 0.00 0.00 0.00 -0.44 0.64 0.00 0.00 176.34 176.54 3pck h ASP 360 N 1.27 0.67 -0.10 0.41 5.19 -1.83 -1.97 116.42 120.07 3pck h ASP 360 Ca 0.01 0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.44 3pck h ASP 360 Cb 1.33 -0.11 0.00 0.00 0.18 0.00 0.00 39.33 40.72 3pck h ASP 360 CO 0.17 0.38 0.00 0.00 -3.12 0.00 0.00 179.24 176.67 3pck n HIS 361 N -4.52 0.10 -3.88 4.55 1.44 -1.16 -2.09 115.22 109.66 3pck n HIS 361 Ca 0.15 -0.05 -0.34 0.00 -2.01 0.00 0.00 57.72 55.47 3pck n HIS 361 Cb 0.37 0.00 -0.13 0.00 0.12 0.00 0.00 29.99 30.35 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 -1.86 4.99 0.00 4.39 -1.08 -0.74 -1.78 116.67 120.59 3pck s ASP 362 Ca 0.34 -2.27 0.13 0.00 -0.52 0.00 0.00 52.55 50.23 3pck s ASP 362 Cb 0.20 -1.74 0.58 0.00 -1.46 0.00 0.00 42.92 40.50 3pck s ASP 362 CO 0.31 -0.44 1.38 0.18 0.52 0.00 0.00 175.17 177.13 3pck n LEU 363 N 4.20 0.00 0.08 -1.34 4.32 0.10 -1.21 117.00 123.15 3pck n LEU 363 Ca 0.02 0.43 -0.01 0.00 -0.02 0.00 0.00 56.01 56.43 3pck n LEU 363 Cb 0.40 -0.43 -0.05 0.00 -1.62 0.00 0.00 43.42 41.72 3pck n LEU 363 CO 0.29 -0.24 0.08 -0.07 -1.22 0.00 0.00 177.39 176.23 3pck h LEU 364 N 0.00 0.00 0.00 2.23 4.07 -1.91 -3.39 115.31 116.30 3pck h LEU 364 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 3pck h LEU 364 Cb 0.19 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.93 3pck h LEU 364 CO 0.00 0.63 -1.02 0.18 -1.08 0.00 0.00 178.44 177.15 3pck n LEU 365 N -3.11 0.02 0.00 1.67 4.77 -0.91 -4.62 117.00 114.82 3pck n LEU 365 Ca -0.04 -0.07 0.14 0.00 -0.03 0.00 0.00 56.01 56.01 3pck n LEU 365 Cb 0.82 0.00 0.61 0.00 -2.33 0.00 0.00 43.42 42.53 3pck n LEU 365 CO 0.43 0.01 0.96 -0.46 -1.33 0.00 0.00 177.39 176.99 3pck n ASN 366 N -1.55 0.00 -0.01 -1.43 0.23 -0.35 -5.04 115.26 107.12 3pck n ASN 366 Ca -0.00 0.49 -0.01 0.00 -0.53 0.00 0.00 54.58 54.53 3pck n ASN 366 Cb 0.09 -0.50 -0.00 0.00 -2.08 0.00 0.00 39.78 37.29 3pck n ASN 366 CO 0.00 0.00 0.00 0.33 -0.93 0.00 0.00 177.26 176.66 3pck n PHE 367 N -1.50 0.04 0.00 -2.53 7.35 -1.26 -4.97 117.46 114.59 3pck n PHE 367 Ca 0.07 0.02 0.00 0.00 -0.76 0.00 0.00 57.45 56.78 3pck n PHE 367 Cb 0.34 -0.16 0.00 0.00 0.35 0.00 0.00 39.48 40.00 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 1.61 0.00 3.83 7.13 0.00 -1.26 -4.79 105.19 111.72 3pck n GLY 371 Ca -0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 3pck n GLY 371 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3pck s LEU 372 N 0.00 4.44 0.57 0.99 1.02 -1.26 -4.78 118.68 119.67 3pck s LEU 372 Ca 0.00 1.06 -0.20 0.00 0.02 0.00 0.00 54.13 55.01 3pck s LEU 372 Cb 0.00 -2.89 -0.04 0.00 0.02 0.00 0.00 46.19 43.28 3pck s LEU 372 CO 0.00 0.24 1.27 -2.84 0.02 0.00 0.00 176.35 175.04 3pck s PRO 373 N -1.40 3.02 -0.01 1.29 0.02 -1.26 -4.80 135.00 131.86 3pck s PRO 373 Ca 0.30 2.00 -0.15 0.00 0.02 0.00 0.00 61.00 63.16 3pck s PRO 373 Cb -0.17 -2.06 -0.06 0.00 0.02 0.00 0.00 34.50 32.23 3pck s PRO 373 CO 0.17 -1.21 0.41 0.42 -0.33 0.00 0.00 177.00 176.46 3pck s ILE 374 N -1.45 5.04 -5.00 2.83 1.01 -1.26 -4.99 121.20 117.37 3pck s ILE 374 Ca 0.75 0.84 0.00 0.00 0.00 0.00 0.00 60.65 62.24 3pck s ILE 374 Cb -0.35 -3.72 0.00 0.00 0.01 0.00 0.00 42.46 38.41 3pck s ILE 374 CO 0.39 0.56 0.00 0.61 0.00 0.00 0.00 174.94 176.50 3pck n GLY 375 N 1.93 0.24 3.63 6.18 0.00 -1.26 -4.49 105.19 111.42 3pck n GLY 375 Ca -0.14 -1.82 -0.43 0.00 0.00 0.00 0.00 46.02 43.63 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 -1.24 3.97 -0.01 1.61 2.02 -1.26 -4.91 118.70 118.88 3pck s GLU 376 Ca 0.00 0.90 -0.30 0.00 0.02 0.00 0.00 54.97 55.58 3pck s GLU 376 Cb 0.00 -3.78 -0.04 0.00 0.10 0.00 0.00 34.13 30.41 3pck s GLU 376 CO 0.00 -1.00 1.14 1.03 0.02 0.00 0.00 175.26 176.46 3pck s ARG 377 N 3.77 4.42 0.01 1.61 0.52 -1.26 -0.50 118.95 127.52 3pck s ARG 377 Ca 0.45 1.64 -0.15 0.00 -0.52 0.00 0.00 55.73 57.15 3pck s ARG 377 Cb -0.11 -3.46 0.02 0.00 0.52 0.00 0.00 34.95 31.92 3pck s ARG 377 CO 0.19 -0.29 0.32 0.96 0.02 0.00 0.00 175.30 176.50 3pck s ILE 378 N 1.55 0.06 -0.04 1.52 -4.36 -0.45 -2.02 121.20 117.47 3pck s ILE 378 Ca 0.56 -0.53 -0.02 0.00 -0.26 0.00 0.00 60.65 60.40 3pck s ILE 378 Cb -0.25 -0.75 -0.04 0.00 1.25 0.00 0.00 42.46 42.67 3pck s ILE 378 CO 0.25 -0.29 0.11 -0.63 0.24 0.00 0.00 174.94 174.62 3pck s ILE 379 N -1.79 4.99 -0.24 8.37 1.01 0.39 -0.39 121.20 133.54 3pck s ILE 379 Ca -0.10 -0.22 0.02 0.00 0.00 0.00 0.00 60.65 60.35 3pck s ILE 379 Cb -0.03 -3.25 0.06 0.00 0.01 0.00 0.00 42.46 39.24 3pck s ILE 379 CO 0.02 0.42 -0.08 -0.69 0.00 0.00 0.00 174.94 174.61 3pck s VAL 380 N -1.16 1.80 0.12 2.92 1.01 -0.27 -0.81 120.40 124.01 3pck s VAL 380 Ca 0.21 -1.36 0.04 0.00 0.00 0.00 0.00 61.98 60.88 3pck s VAL 380 Cb -0.12 -1.98 -0.04 0.00 0.00 0.00 0.00 36.38 34.24 3pck s VAL 380 CO 0.12 -0.03 -0.11 0.00 0.00 0.00 0.00 175.10 175.08 3pck s ALA 381 N 1.28 1.32 0.00 5.51 0.00 -0.54 -0.92 121.76 128.41 3pck s ALA 381 Ca -0.06 -1.35 0.00 0.00 0.00 0.00 0.00 51.96 50.55 3pck s ALA 381 Cb -0.19 0.02 0.00 0.00 0.00 0.00 0.00 23.12 22.96 3pck s ALA 381 CO -0.06 -0.05 0.00 0.41 0.00 0.00 0.00 175.76 176.06 3pck n GLY 382 N 0.20 -1.13 3.02 0.00 0.00 -1.01 -0.41 105.19 105.85 3pck n GLY 382 Ca -0.13 -0.80 -0.11 0.00 0.00 0.00 0.00 46.02 44.98 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 -0.14 0.42 -0.25 1.61 3.52 -1.23 -2.27 118.95 120.60 3pck s ARG 383 Ca 0.00 -0.65 -0.05 0.00 -0.13 0.00 0.00 55.73 54.90 3pck s ARG 383 Cb 0.00 -0.12 0.00 0.00 -1.56 0.00 0.00 34.95 33.27 3pck s ARG 383 CO 0.00 0.01 -0.00 0.08 -0.81 0.00 0.00 175.30 174.58 3pck s VAL 384 N -1.33 3.52 0.27 7.11 1.01 -0.01 -0.51 120.40 130.46 3pck s VAL 384 Ca -0.12 -0.62 0.05 0.00 0.00 0.00 0.00 61.98 61.29 3pck s VAL 384 Cb -0.09 -2.70 -0.06 0.00 0.00 0.00 0.00 36.38 33.53 3pck s VAL 384 CO -0.00 0.28 -0.02 0.68 0.00 0.00 0.00 175.10 176.04 3pck s VAL 385 N 1.47 1.35 0.73 2.92 -7.23 -0.29 -0.62 120.40 118.72 3pck s VAL 385 Ca 0.04 -2.07 -0.01 0.00 -1.81 0.00 0.00 61.98 58.13 3pck s VAL 385 Cb -0.16 -2.46 0.13 0.00 0.56 0.00 0.00 36.38 34.45 3pck s VAL 385 CO -0.01 -0.26 1.01 1.51 -0.31 0.00 0.00 175.10 177.03 3pck s ASP 386 N -3.40 4.28 0.55 4.85 -4.77 0.39 -0.78 116.67 117.79 3pck s ASP 386 Ca 0.30 -0.41 0.33 0.00 -3.30 0.00 0.00 52.55 49.47 3pck s ASP 386 Cb 0.05 0.07 1.46 0.00 -1.09 0.00 0.00 42.92 43.41 3pck s ASP 386 CO 0.11 -1.91 2.03 1.56 0.70 0.00 0.00 175.17 177.66 3pck h GLN 387 N -0.56 0.00 -0.00 2.11 4.20 -1.38 -1.04 115.11 118.45 3pck h GLN 387 Ca -0.36 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.35 3pck h GLN 387 Cb 1.26 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.04 3pck h GLN 387 CO 0.39 0.05 -0.02 0.66 -0.67 0.00 0.00 178.83 179.24 3pck n TYR 388 N -3.21 0.00 -0.57 2.96 4.01 -1.26 -4.90 117.16 114.19 3pck n TYR 388 Ca -0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 3pck n TYR 388 Cb 0.28 -0.35 0.00 0.00 -0.31 0.00 0.00 39.34 38.97 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 1.36 0.75 3.73 2.72 0.00 -0.39 -5.05 105.19 108.30 3pck n GLY 389 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 3pck n GLY 389 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3pck s LYS 390 N -0.43 4.70 0.67 1.61 2.20 -1.26 -4.73 119.74 122.50 3pck s LYS 390 Ca 0.00 1.48 -0.17 0.00 -0.36 0.00 0.00 55.97 56.92 3pck s LYS 390 Cb 0.00 -3.36 0.00 0.00 -1.51 0.00 0.00 37.83 32.96 3pck s LYS 390 CO 0.00 0.22 1.25 -2.14 -0.36 0.00 0.00 175.35 174.32 3pck s PRO 391 N -0.11 2.45 -0.48 4.03 0.02 -1.26 -0.47 135.00 139.18 3pck s PRO 391 Ca 0.47 1.92 0.04 0.00 0.02 0.00 0.00 61.00 63.44 3pck s PRO 391 Cb -0.24 -1.85 0.13 0.00 0.02 0.00 0.00 34.50 32.55 3pck s PRO 391 CO 0.30 -1.64 0.23 0.08 -0.33 0.00 0.00 177.00 175.65 3pck s VAL 392 N -1.64 2.35 0.37 3.83 1.01 0.21 -4.78 120.40 121.74 3pck s VAL 392 Ca 0.79 -3.06 -0.18 0.00 0.00 0.00 0.00 61.98 59.52 3pck s VAL 392 Cb -0.33 -2.65 -0.10 0.00 0.00 0.00 0.00 36.38 33.30 3pck s VAL 392 CO 0.41 -0.79 0.84 -2.16 0.00 0.00 0.00 175.10 173.40 3pck s PRO 393 N -0.02 4.13 -1.28 2.72 0.04 -1.26 -4.32 135.00 135.01 3pck s PRO 393 Ca 0.16 0.90 -0.02 0.00 0.04 0.00 0.00 61.00 62.09 3pck s PRO 393 Cb -0.25 -2.35 0.01 0.00 0.04 0.00 0.00 34.50 31.95 3pck s PRO 393 CO -0.01 0.09 0.91 0.09 0.04 0.00 0.00 177.00 178.11 3pck n ASN 394 N -0.42 -2.37 -4.50 6.66 4.13 -0.46 -4.97 115.26 113.34 3pck n ASN 394 Ca 0.05 -0.70 -0.31 0.00 1.68 0.00 0.00 54.58 55.31 3pck n ASN 394 Cb 0.53 -4.64 -0.12 0.00 -1.54 0.00 0.00 39.78 34.02 3pck n ASN 394 CO 0.00 0.00 0.00 0.28 0.28 0.00 0.00 177.26 177.82 3pck s THR 395 N -3.47 3.00 -0.18 3.41 -1.32 -1.26 -4.60 115.64 111.23 3pck s THR 395 Ca 0.11 -1.18 -0.26 0.00 -1.21 0.00 0.00 61.69 59.15 3pck s THR 395 Cb -0.05 -2.30 -0.01 0.00 -1.51 0.00 0.00 72.50 68.62 3pck s THR 395 CO 0.77 0.28 0.87 -0.22 -2.21 0.00 0.00 174.62 174.11 3pck s LEU 396 N -1.64 4.16 -0.18 9.08 2.96 -1.26 -1.22 118.68 130.58 3pck s LEU 396 Ca 0.16 1.21 0.00 0.00 -0.22 0.00 0.00 54.13 55.29 3pck s LEU 396 Cb -0.11 -3.29 0.01 0.00 0.50 0.00 0.00 46.19 43.31 3pck s LEU 396 CO 0.07 -0.45 -0.17 -0.69 -1.32 0.00 0.00 176.35 173.79 3pck s VAL 397 N 2.34 2.32 0.11 1.68 1.01 -0.55 -1.93 120.40 125.37 3pck s VAL 397 Ca 0.39 -0.86 0.09 0.00 0.00 0.00 0.00 61.98 61.61 3pck s VAL 397 Cb -0.16 -1.99 -0.04 0.00 0.00 0.00 0.00 36.38 34.20 3pck s VAL 397 CO 0.12 0.52 -0.23 -1.61 0.00 0.00 0.00 175.10 173.89 3pck s GLU 398 N 1.25 1.27 0.06 2.72 2.02 0.19 -1.04 118.70 125.18 3pck s GLU 398 Ca 0.04 -1.21 -0.08 0.00 0.02 0.00 0.00 54.97 53.73 3pck s GLU 398 Cb -0.14 -1.61 -0.00 0.00 0.10 0.00 0.00 34.13 32.48 3pck s GLU 398 CO -0.10 0.38 0.18 0.00 0.02 0.00 0.00 175.26 175.74 3pck s MET 399 N -1.88 0.75 0.02 1.61 0.23 -0.72 -0.49 119.30 118.82 3pck s MET 399 Ca 0.09 -0.82 -0.20 0.00 -1.03 0.00 0.00 55.69 53.73 3pck s MET 399 Cb -0.10 0.31 0.04 0.00 -1.53 0.00 0.00 34.83 33.55 3pck s MET 399 CO 0.05 -0.22 0.46 1.67 -2.03 0.00 0.00 175.02 174.94 3pck s TRP 400 N -3.25 -0.35 0.12 3.16 -2.14 -0.91 -1.89 118.94 113.68 3pck s TRP 400 Ca 0.00 0.42 -0.26 0.00 2.66 0.00 0.00 56.10 58.92 3pck s TRP 400 Cb 0.02 0.26 0.08 0.00 -3.10 0.00 0.00 33.47 30.73 3pck s TRP 400 CO -0.08 -0.57 1.05 1.14 -2.66 0.00 0.00 176.95 175.83 3pck s GLN 401 N -2.14 1.02 0.92 3.25 -2.07 -0.54 -1.04 119.66 119.05 3pck s GLN 401 Ca -0.07 -0.57 -0.14 0.00 -1.82 0.00 0.00 55.36 52.76 3pck s GLN 401 Cb -0.01 0.34 0.18 0.00 -1.09 0.00 0.00 33.01 32.43 3pck s GLN 401 CO 0.00 -0.47 1.27 0.00 -1.32 0.00 0.00 175.29 174.77 3pck s ALA 402 N -2.99 2.46 0.75 2.60 0.00 -1.26 -4.65 121.76 118.67 3pck s ALA 402 Ca 0.14 -1.21 -0.01 0.00 0.00 0.00 0.00 51.96 50.88 3pck s ALA 402 Cb -0.00 -2.70 0.01 0.00 0.00 0.00 0.00 23.12 20.43 3pck s ALA 402 CO 0.01 -2.24 0.07 0.27 0.00 0.00 0.00 175.76 173.88 3pck n ASN 403 N -3.60 0.04 0.25 0.00 0.23 -0.21 -4.51 115.26 107.46 3pck n ASN 403 Ca 0.14 -1.05 0.12 0.00 -0.53 0.00 0.00 54.58 53.27 3pck n ASN 403 Cb 0.60 -0.05 0.77 0.00 -2.08 0.00 0.00 39.78 39.02 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 -1.35 1.83 -0.35 -2.53 0.00 -1.79 -1.05 119.26 114.02 3pck h ALA 404 Ca -0.02 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3pck h ALA 404 Cb 0.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3pck h ALA 404 CO 0.02 -0.07 0.00 0.41 0.00 0.00 0.00 179.25 179.61 3pck n GLY 405 N -1.45 1.65 1.72 0.00 0.00 -1.26 -3.38 105.19 102.47 3pck n GLY 405 Ca -0.02 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.28 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 1.45 0.48 3.70 -0.02 0.00 -0.48 -4.81 105.19 105.50 3pck n GLY 406 Ca 0.18 -0.85 -0.35 0.00 0.00 0.00 0.00 46.02 45.01 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 -1.56 3.77 0.15 1.61 6.06 -1.26 -4.72 118.95 123.00 3pck s ARG 407 Ca 0.00 -0.30 -0.10 0.00 -2.50 0.00 0.00 55.73 52.83 3pck s ARG 407 Cb 0.00 -3.18 -0.06 0.00 0.06 0.00 0.00 34.95 31.77 3pck s ARG 407 CO 0.00 0.43 0.47 0.71 -2.50 0.00 0.00 175.30 174.41 3pck s TYR 408 N -0.07 3.52 -1.23 5.12 1.51 -1.26 -1.05 117.35 123.90 3pck s TYR 408 Ca 0.07 0.83 -0.10 0.00 -1.01 0.00 0.00 57.07 56.86 3pck s TYR 408 Cb -0.12 -2.21 0.19 0.00 -0.11 0.00 0.00 41.96 39.71 3pck s TYR 408 CO 0.01 0.41 1.64 -2.13 -1.11 0.00 0.00 175.55 174.37 3pck n ARG 409 N 0.42 3.60 -3.77 -0.62 0.63 -1.26 -4.80 116.66 110.86 3pck n ARG 409 Ca -0.04 -3.78 -0.13 0.00 -0.92 0.00 0.00 57.85 52.98 3pck n ARG 409 Cb 0.52 -2.91 -0.12 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 0.44 -0.31 0.17 -0.14 2.46 -1.26 -5.07 115.29 111.59 3pck s HIS 410 Ca 0.40 0.74 -0.20 0.00 0.47 0.00 0.00 55.06 56.46 3pck s HIS 410 Cb 0.04 0.09 0.10 0.00 -0.13 0.00 0.00 32.58 32.68 3pck s HIS 410 CO 0.01 -0.17 1.61 0.87 -2.47 0.00 0.00 174.74 174.59 3pck h LYS 411 N 6.13 -0.17 0.00 2.88 1.57 -2.07 -0.34 116.57 124.58 3pck h LYS 411 Ca -0.30 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.49 3pck h LYS 411 Cb 1.18 0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.53 3pck h LYS 411 CO 0.35 -0.11 0.00 0.09 -0.57 0.00 0.00 179.45 179.21 3pck n ASN 412 N -5.41 0.02 -4.53 0.86 5.03 -1.26 -4.58 115.26 105.40 3pck n ASN 412 Ca 0.02 0.51 -0.43 0.00 0.87 0.00 0.00 54.58 55.55 3pck n ASN 412 Cb 0.32 -0.51 -0.06 0.00 -1.02 0.00 0.00 39.78 38.51 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 -3.03 6.36 -0.04 6.41 2.15 -0.14 -4.88 116.67 123.50 3pck s ASP 413 Ca 0.02 -0.26 0.16 0.00 0.43 0.00 0.00 52.55 52.90 3pck s ASP 413 Cb 0.03 -2.36 0.51 0.00 -0.30 0.00 0.00 42.92 40.80 3pck s ASP 413 CO 0.07 -0.90 1.43 0.54 -0.17 0.00 0.00 175.17 176.15 3pck n ARG 414 N 6.59 3.02 -1.75 4.34 5.12 -1.26 -4.90 116.66 127.82 3pck n ARG 414 Ca 0.00 -2.48 -0.40 0.00 -1.93 0.00 0.00 57.85 53.05 3pck n ARG 414 Cb 0.48 -1.54 0.03 0.00 -1.16 0.00 0.00 32.46 30.26 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 0.88 2.48 0.38 -1.55 9.36 -1.26 -4.88 117.16 122.56 3pck n TYR 415 Ca 0.19 0.44 0.11 0.00 3.32 0.00 0.00 57.90 61.97 3pck n TYR 415 Cb 0.62 -2.41 0.48 0.00 -0.63 0.00 0.00 39.34 37.40 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 -0.41 0.60 -4.77 2.98 -0.00 -1.26 -4.73 117.00 109.41 3pck n LEU 416 Ca 0.07 0.66 -0.39 0.00 -0.00 0.00 0.00 56.01 56.35 3pck n LEU 416 Cb 0.42 -0.59 -0.03 0.00 -0.00 0.00 0.00 43.42 43.22 3pck n LEU 416 CO 0.57 -0.57 0.84 0.00 -0.00 0.00 0.00 177.39 178.23 3pck s ALA 417 N -3.31 3.32 0.69 1.47 0.00 -1.26 -4.99 121.76 117.69 3pck s ALA 417 Ca 0.04 0.98 -0.11 0.00 0.00 0.00 0.00 51.96 52.87 3pck s ALA 417 Cb 0.09 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.84 3pck s ALA 417 CO 0.36 -0.38 1.06 -1.25 0.00 0.00 0.00 175.76 175.55 3pck s PRO 418 N -1.86 2.98 0.60 0.00 0.04 -1.26 -4.76 135.00 130.73 3pck s PRO 418 Ca 0.50 0.87 -0.13 0.00 0.04 0.00 0.00 61.00 62.29 3pck s PRO 418 Cb -0.32 -2.00 -0.04 0.00 0.04 0.00 0.00 34.50 32.17 3pck s PRO 418 CO 0.42 -1.05 1.03 -0.51 0.04 0.00 0.00 177.00 176.93 3pck s LEU 419 N -5.49 3.35 -0.30 -3.56 1.43 -1.26 -4.75 118.68 108.10 3pck s LEU 419 Ca 0.58 1.55 -0.06 0.00 -1.03 0.00 0.00 54.13 55.16 3pck s LEU 419 Cb -0.13 -4.49 0.02 0.00 0.03 0.00 0.00 46.19 41.61 3pck s LEU 419 CO 0.55 -0.94 0.07 -0.62 0.23 0.00 0.00 176.35 175.63 3pck s ASP 420 N -3.63 5.09 0.46 2.29 -1.08 -1.26 -4.98 116.67 113.54 3pck s ASP 420 Ca 0.58 -0.79 0.28 0.00 -0.52 0.00 0.00 52.55 52.09 3pck s ASP 420 Cb -0.12 -1.86 1.34 0.00 -1.46 0.00 0.00 42.92 40.82 3pck s ASP 420 CO 0.46 -0.21 1.74 1.55 0.52 0.00 0.00 175.17 179.23 3pck h PRO 421 N 8.21 0.18 -0.61 4.34 0.13 -1.96 0.08 132.00 142.37 3pck h PRO 421 Ca -0.30 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 3pck h PRO 421 Cb 1.12 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.21 3pck h PRO 421 CO 0.60 0.12 0.00 0.09 -0.23 0.00 0.00 178.00 178.58 3pck n ASN 422 N -4.47 4.76 -3.98 1.44 4.13 -1.26 -4.93 115.26 110.94 3pck n ASN 422 Ca 0.29 -2.51 -0.24 0.00 1.68 0.00 0.00 54.58 53.80 3pck n ASN 422 Cb 1.17 -0.58 -0.17 0.00 -1.54 0.00 0.00 39.78 38.67 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 -1.96 1.32 -0.19 3.10 5.36 0.01 -4.24 117.98 121.39 3pck s PHE 423 Ca 0.50 -0.50 -0.15 0.00 -0.96 0.00 0.00 56.93 55.82 3pck s PHE 423 Cb 0.33 -1.02 -0.07 0.00 -0.34 0.00 0.00 43.02 41.92 3pck s PHE 423 CO 0.23 -0.30 -0.26 0.41 -1.46 0.00 0.00 175.22 173.84 3pck n GLY 424 N 4.04 -0.66 0.00 13.12 0.00 -1.26 -4.67 105.19 115.75 3pck n GLY 424 Ca -0.22 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.58 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 1.47 1.20 3.21 -0.02 0.00 -1.26 -4.47 105.19 105.31 3pck n GLY 425 Ca -0.20 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.60 3pck n GLY 425 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3pck s VAL 426 N -2.00 1.40 0.16 1.61 1.01 -1.26 -1.47 120.40 119.85 3pck s VAL 426 Ca 0.00 -1.22 -0.16 0.00 0.00 0.00 0.00 61.98 60.60 3pck s VAL 426 Cb 0.00 -1.26 0.03 0.00 0.00 0.00 0.00 36.38 35.15 3pck s VAL 426 CO 0.00 0.01 0.45 -0.83 0.00 0.00 0.00 175.10 174.73 3pck s GLY 427 N -1.41 -0.13 -0.05 4.51 0.00 -0.79 -4.76 107.32 104.69 3pck s GLY 427 Ca 0.04 -0.19 -0.22 0.00 0.00 0.00 0.00 44.72 44.34 3pck s GLY 427 CO 0.02 -0.32 0.49 1.09 0.00 0.00 0.00 173.10 174.38 3pck s ARG 428 N -3.85 0.83 -0.25 2.90 1.70 -0.89 -1.76 118.95 117.64 3pck s ARG 428 Ca 0.07 0.10 -0.20 0.00 -0.47 0.00 0.00 55.73 55.23 3pck s ARG 428 Cb 0.01 0.38 0.07 0.00 -0.57 0.00 0.00 34.95 34.84 3pck s ARG 428 CO -0.07 -0.23 0.65 0.00 -1.08 0.00 0.00 175.30 174.57 3pck s LEU 430 N 0.73 4.05 0.67 0.00 2.96 -1.26 -1.48 118.68 124.34 3pck s LEU 430 Ca -0.03 0.19 -0.17 0.00 -0.22 0.00 0.00 54.13 53.89 3pck s LEU 430 Cb -0.05 -2.29 -0.00 0.00 0.50 0.00 0.00 46.19 44.35 3pck s LEU 430 CO -0.05 -0.10 1.26 0.35 -1.32 0.00 0.00 176.35 176.49 3pck n THR 431 N 4.93 4.58 -1.22 3.68 -2.24 -0.36 -4.84 114.28 118.82 3pck n THR 431 Ca -0.11 -0.47 0.00 0.00 -2.27 0.00 0.00 64.05 61.20 3pck n THR 431 Cb 0.51 -1.44 0.00 0.00 -2.10 0.00 0.00 70.33 67.30 3pck n THR 431 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3pck n ASP 432 N -1.99 0.00 -0.35 3.42 5.68 0.02 -1.36 116.55 121.98 3pck n ASP 432 Ca 0.16 -0.91 0.11 0.00 -0.50 0.00 0.00 54.79 53.64 3pck n ASP 432 Cb 0.48 0.00 0.30 0.00 -1.14 0.00 0.00 41.12 40.76 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 0.00 0.83 -0.34 -1.12 0.02 -1.95 -1.55 113.55 109.45 3pck h SER 433 Ca 0.00 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 3pck h SER 433 Cb 0.00 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.46 3pck h SER 433 CO 0.00 0.36 0.00 0.47 -1.14 0.00 0.00 176.83 176.52 3pck n ASP 434 N -4.69 2.29 -0.00 3.07 8.00 -1.26 -4.59 116.55 119.36 3pck n ASP 434 Ca 0.21 -1.90 -0.00 0.00 0.71 0.00 0.00 54.79 53.82 3pck n ASP 434 Cb 0.49 -0.22 -0.00 0.00 -0.02 0.00 0.00 41.12 41.36 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 1.23 0.47 3.81 0.44 0.00 -0.59 -4.73 105.19 105.82 3pck n GLY 435 Ca 0.16 -0.27 -0.36 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.99 3.64 0.07 1.61 2.02 -1.26 -0.83 117.35 120.60 3pck s TYR 436 Ca 0.00 1.50 -0.03 0.00 -0.37 0.00 0.00 57.07 58.17 3pck s TYR 436 Cb 0.00 -2.71 -0.03 0.00 -0.40 0.00 0.00 41.96 38.82 3pck s TYR 436 CO 0.00 0.27 0.04 1.52 -1.57 0.00 0.00 175.55 175.81 3pck s TYR 437 N -1.60 0.45 -0.16 2.71 -0.85 -0.96 -0.79 117.35 116.15 3pck s TYR 437 Ca 0.46 -0.95 -0.29 0.00 -0.52 0.00 0.00 57.07 55.77 3pck s TYR 437 Cb -0.17 -0.30 0.11 0.00 0.38 0.00 0.00 41.96 41.98 3pck s TYR 437 CO 0.21 -0.44 0.90 -1.54 -1.52 0.00 0.00 175.55 173.16 3pck s SER 438 N -2.91 -0.49 0.07 -0.18 1.04 -1.26 -2.39 113.70 107.57 3pck s SER 438 Ca 0.08 0.63 0.03 0.00 0.48 0.00 0.00 55.95 57.17 3pck s SER 438 Cb 0.07 0.53 -0.03 0.00 0.10 0.00 0.00 66.02 66.70 3pck s SER 438 CO -0.09 -0.38 -0.10 -0.36 0.98 0.00 0.00 173.24 173.28 3pck s PHE 439 N -0.83 0.94 -0.10 5.02 0.08 -0.09 -4.87 117.98 118.13 3pck s PHE 439 Ca -0.03 -0.53 0.04 0.00 0.12 0.00 0.00 56.93 56.52 3pck s PHE 439 Cb -0.01 -0.54 0.00 0.00 -0.57 0.00 0.00 43.02 41.90 3pck s PHE 439 CO 0.03 -0.02 -0.21 0.50 -0.10 0.00 0.00 175.22 175.41 3pck s ARG 440 N -1.96 2.77 0.00 0.44 3.52 -0.73 -1.12 118.95 121.87 3pck s ARG 440 Ca -0.03 -0.78 0.00 0.00 -0.13 0.00 0.00 55.73 54.78 3pck s ARG 440 Cb -0.08 -2.13 0.00 0.00 -1.56 0.00 0.00 34.95 31.18 3pck s ARG 440 CO 0.01 0.13 0.00 -2.37 -0.81 0.00 0.00 175.30 172.26 3pck n THR 441 N 3.63 0.00 -4.38 4.11 5.66 0.48 -0.72 114.28 123.06 3pck n THR 441 Ca -0.20 0.00 -0.28 0.00 -3.05 0.00 0.00 64.05 60.52 3pck n THR 441 Cb 0.53 0.00 -0.12 0.00 -1.55 0.00 0.00 70.33 69.18 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 -2.88 2.41 -0.02 1.09 -5.25 -1.26 -1.35 121.20 113.94 3pck s ILE 442 Ca 0.00 -1.78 -0.30 0.00 -0.99 0.00 0.00 60.65 57.58 3pck s ILE 442 Cb 0.00 -2.10 -0.04 0.00 2.95 0.00 0.00 42.46 43.27 3pck s ILE 442 CO 0.00 0.03 1.24 -0.75 -1.79 0.00 0.00 174.94 173.68 3pck s LYS 443 N -2.26 4.35 0.74 0.37 2.20 0.34 -4.93 119.74 120.55 3pck s LYS 443 Ca 0.17 1.75 -0.13 0.00 -0.36 0.00 0.00 55.97 57.40 3pck s LYS 443 Cb -0.10 -3.52 0.04 0.00 -1.51 0.00 0.00 37.83 32.74 3pck s LYS 443 CO 0.08 -0.44 1.13 -1.25 -0.36 0.00 0.00 175.35 174.51 3pck s PRO 444 N 2.06 2.25 0.24 4.03 0.04 -1.26 -4.35 135.00 138.01 3pck s PRO 444 Ca 0.58 1.43 0.04 0.00 0.04 0.00 0.00 61.00 63.09 3pck s PRO 444 Cb -0.27 -1.88 -0.03 0.00 0.04 0.00 0.00 34.50 32.36 3pck s PRO 444 CO 0.24 -1.68 0.38 0.20 0.04 0.00 0.00 177.00 176.18 3pck s GLY 445 N -2.70 1.33 0.77 0.56 0.00 -0.69 -4.73 107.32 101.86 3pck s GLY 445 Ca 0.67 -1.14 -0.13 0.00 0.00 0.00 0.00 44.72 44.13 3pck s GLY 445 CO 0.49 -1.14 1.15 -4.14 0.00 0.00 0.00 173.10 169.45 3pck s PRO 446 N -3.89 2.03 -0.03 2.90 0.02 -1.26 -4.07 135.00 130.70 3pck s PRO 446 Ca 0.35 1.50 0.00 0.00 0.02 0.00 0.00 61.00 62.87 3pck s PRO 446 Cb -0.09 -1.85 0.02 0.00 0.02 0.00 0.00 34.50 32.60 3pck s PRO 446 CO 0.30 -1.87 0.00 -0.47 -0.33 0.00 0.00 177.00 174.63 3pck s TYR 447 N -2.43 0.28 0.41 6.54 5.04 -1.11 -4.15 117.35 121.92 3pck s TYR 447 Ca 0.68 0.01 -0.24 0.00 -2.44 0.00 0.00 57.07 55.08 3pck s TYR 447 Cb -0.23 -0.37 -0.09 0.00 0.35 0.00 0.00 41.96 41.62 3pck s TYR 447 CO 0.50 -0.12 1.07 -1.25 -1.34 0.00 0.00 175.55 174.41 3pck s PRO 448 N 0.93 4.10 0.01 4.97 0.04 -1.26 -0.54 135.00 143.25 3pck s PRO 448 Ca -0.09 1.54 -0.10 0.00 0.04 0.00 0.00 61.00 62.39 3pck s PRO 448 Cb -0.13 -2.51 0.01 0.00 0.04 0.00 0.00 34.50 31.91 3pck s PRO 448 CO -0.02 -0.20 0.21 1.67 0.04 0.00 0.00 177.00 178.70 3pck s TRP 449 N -1.65 -0.02 -1.17 0.56 1.48 -0.91 -4.90 118.94 112.32 3pck s TRP 449 Ca 0.59 -0.08 -0.18 0.00 -1.06 0.00 0.00 56.10 55.37 3pck s TRP 449 Cb -0.23 0.00 0.10 0.00 -1.16 0.00 0.00 33.47 32.19 3pck s TRP 449 CO 0.28 -0.37 1.52 1.03 -4.06 0.00 0.00 176.95 175.35 3pck s ARG 450 N -1.82 3.89 0.00 3.25 0.52 -1.26 -4.33 118.95 119.20 3pck s ARG 450 Ca -0.11 -1.97 0.00 0.00 -0.52 0.00 0.00 55.73 53.13 3pck s ARG 450 Cb -0.04 -5.29 0.00 0.00 0.52 0.00 0.00 34.95 30.13 3pck s ARG 450 CO 0.00 -2.05 0.00 -1.71 0.02 0.00 0.00 175.30 171.56 3pck n ASN 451 N 7.47 0.00 -4.86 0.23 5.15 -1.26 -5.04 115.26 116.95 3pck n ASN 451 Ca 0.39 0.00 -0.27 0.00 -0.60 0.00 0.00 54.58 54.11 3pck n ASN 451 Cb 0.46 0.00 0.08 0.00 -0.53 0.00 0.00 39.78 39.80 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 -0.34 1.68 0.45 8.20 0.00 -1.26 -4.96 107.32 111.09 3pck s GLY 452 Ca 0.00 -0.93 0.31 0.00 0.00 0.00 0.00 44.72 44.10 3pck s GLY 452 CO 0.00 -0.47 1.94 -2.55 0.00 0.00 0.00 173.10 172.02 3pck h PRO 453 N -0.76 0.00 -0.65 2.90 0.11 -1.98 -3.28 132.00 128.34 3pck h PRO 453 Ca -0.44 0.00 -0.31 0.00 0.11 0.00 0.00 66.00 65.36 3pck h PRO 453 Cb 1.31 0.00 -0.32 0.00 0.11 0.00 0.00 31.00 32.10 3pck h PRO 453 CO 0.59 0.00 -0.93 -1.71 -0.21 0.00 0.00 178.00 175.74 3pck n ASN 454 N -2.61 0.42 -4.76 -2.05 5.15 -1.26 -5.10 115.26 105.04 3pck n ASN 454 Ca -0.01 -2.58 -0.39 0.00 -0.60 0.00 0.00 54.58 51.00 3pck n ASN 454 Cb 0.10 -0.05 -0.06 0.00 -0.53 0.00 0.00 39.78 39.24 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 -2.56 6.92 -0.07 1.20 1.01 -1.24 -5.06 116.67 116.86 3pck s ASP 455 Ca 0.25 1.10 0.01 0.00 0.71 0.00 0.00 52.55 54.61 3pck s ASP 455 Cb 0.43 -2.34 0.02 0.00 1.01 0.00 0.00 42.92 42.04 3pck s ASP 455 CO -0.01 0.11 -0.07 0.26 0.21 0.00 0.00 175.17 175.67 3pck s TRP 456 N -0.15 1.17 0.27 4.23 0.52 -1.26 -2.15 118.94 121.56 3pck s TRP 456 Ca 0.30 -0.46 -0.30 0.00 0.02 0.00 0.00 56.10 55.66 3pck s TRP 456 Cb -0.18 -0.97 -0.09 0.00 -1.15 0.00 0.00 33.47 31.08 3pck s TRP 456 CO 0.16 -0.33 1.10 1.03 0.02 0.00 0.00 176.95 178.93 3pck s ARG 457 N 1.22 4.64 0.78 4.98 1.81 0.30 -4.80 118.95 127.87 3pck s ARG 457 Ca -0.05 1.79 -0.11 0.00 -1.72 0.00 0.00 55.73 55.64 3pck s ARG 457 Cb -0.14 -3.20 0.06 0.00 -0.45 0.00 0.00 34.95 31.22 3pck s ARG 457 CO -0.02 0.20 1.11 -2.14 -0.68 0.00 0.00 175.30 173.77 3pck s PRO 458 N -1.32 2.11 0.22 3.54 0.02 -1.26 -2.76 135.00 135.56 3pck s PRO 458 Ca 0.45 1.31 -0.32 0.00 0.02 0.00 0.00 61.00 62.46 3pck s PRO 458 Cb -0.32 -1.87 -0.13 0.00 0.02 0.00 0.00 34.50 32.21 3pck s PRO 458 CO 0.40 -1.77 1.60 0.00 -0.33 0.00 0.00 177.00 176.90 3pck n ALA 459 N -3.42 2.10 -3.03 -1.55 0.00 -1.26 -4.74 120.51 108.60 3pck n ALA 459 Ca 0.10 0.41 -0.11 0.00 0.00 0.00 0.00 53.44 53.84 3pck n ALA 459 Cb 0.52 -2.42 -0.04 0.00 0.00 0.00 0.00 19.45 17.51 3pck n ALA 459 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 3pck s HIS 460 N 0.60 -0.23 -0.12 0.00 -3.43 -1.26 -4.00 115.29 106.85 3pck s HIS 460 Ca 0.72 -0.07 0.03 0.00 -0.80 0.00 0.00 55.06 54.94 3pck s HIS 460 Cb -0.57 0.28 0.01 0.00 -1.43 0.00 0.00 32.58 30.86 3pck s HIS 460 CO 0.41 -0.71 -0.21 0.42 -2.00 0.00 0.00 174.74 172.65 3pck s ILE 461 N -3.74 1.96 0.15 -5.38 1.01 -0.57 -4.65 121.20 109.99 3pck s ILE 461 Ca 0.02 -0.93 -0.30 0.00 0.00 0.00 0.00 60.65 59.44 3pck s ILE 461 Cb 0.02 -1.73 -0.07 0.00 0.01 0.00 0.00 42.46 40.69 3pck s ILE 461 CO -0.12 0.53 1.01 -1.00 0.00 0.00 0.00 174.94 175.37 3pck s HIS 462 N 0.69 3.75 0.07 3.97 3.76 -0.21 -0.18 115.29 127.15 3pck s HIS 462 Ca -0.11 1.74 0.07 0.00 -0.15 0.00 0.00 55.06 56.61 3pck s HIS 462 Cb -0.16 -3.13 -0.03 0.00 1.11 0.00 0.00 32.58 30.37 3pck s HIS 462 CO 0.01 -0.07 -0.18 -0.06 -0.85 0.00 0.00 174.74 173.59 3pck s PHE 463 N -0.24 1.56 -0.04 1.40 0.40 0.01 -2.14 117.98 118.94 3pck s PHE 463 Ca 0.47 -0.40 0.01 0.00 -0.60 0.00 0.00 56.93 56.41 3pck s PHE 463 Cb -0.26 -0.89 0.02 0.00 0.51 0.00 0.00 43.02 42.40 3pck s PHE 463 CO 0.32 0.11 -0.06 0.20 0.70 0.00 0.00 175.22 176.49 3pck s GLY 464 N -1.55 0.48 -0.05 4.36 0.00 0.35 -0.92 107.32 109.99 3pck s GLY 464 Ca 0.04 -0.14 0.00 0.00 0.00 0.00 0.00 44.72 44.62 3pck s GLY 464 CO 0.03 0.27 -0.03 -0.42 0.00 0.00 0.00 173.10 172.94 3pck s ILE 465 N 0.68 0.49 -0.01 0.90 1.09 0.22 -0.64 121.20 123.92 3pck s ILE 465 Ca -0.10 -0.04 -0.11 0.00 -1.10 0.00 0.00 60.65 59.30 3pck s ILE 465 Cb -0.13 -0.55 -0.06 0.00 -1.06 0.00 0.00 42.46 40.66 3pck s ILE 465 CO 0.01 0.24 0.63 0.77 -0.10 0.00 0.00 174.94 176.49 3pck h SER 466 N 7.56 -0.33 -3.84 3.58 4.64 -1.67 0.49 113.55 123.98 3pck h SER 466 Ca -0.32 0.01 0.02 0.00 -0.47 0.00 0.00 61.79 61.02 3pck h SER 466 Cb 1.14 0.09 -0.00 0.00 -0.31 0.00 0.00 62.40 63.31 3pck h SER 466 CO 0.41 -0.08 -0.02 0.61 -0.87 0.00 0.00 176.83 176.88 3pck n GLY 467 N 0.32 -2.12 0.26 -0.77 0.00 -1.26 -2.14 105.19 99.48 3pck n GLY 467 Ca -0.05 -1.45 0.13 0.00 0.00 0.00 0.00 46.02 44.66 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 -4.14 1.61 0.13 -1.94 -3.46 132.00 124.20 3pck h PRO 468 Ca 0.00 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.92 3pck h PRO 468 Cb 0.05 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 31.08 3pck h PRO 468 CO 0.00 0.12 -0.29 -1.54 -0.23 0.00 0.00 178.00 176.07 3pck s SER 469 N -6.01 0.49 0.53 1.44 1.04 -1.26 -3.50 113.70 106.44 3pck s SER 469 Ca -0.01 -1.32 0.32 0.00 0.48 0.00 0.00 55.95 55.42 3pck s SER 469 Cb 0.12 0.57 1.28 0.00 0.10 0.00 0.00 66.02 68.09 3pck s SER 469 CO 0.58 -1.13 1.96 0.16 0.98 0.00 0.00 173.24 175.78 3pck h ILE 470 N 2.27 0.11 0.00 -1.02 3.07 -1.50 -1.57 117.51 118.87 3pck h ILE 470 Ca -0.29 -0.62 -0.05 0.00 1.55 0.00 0.00 64.86 65.44 3pck h ILE 470 Cb 1.24 1.56 -0.01 0.00 -0.27 0.00 0.00 36.82 39.34 3pck h ILE 470 CO 0.41 0.04 -0.25 0.00 -1.05 0.00 0.00 178.15 177.30 3pck h ALA 471 N 1.96 1.47 0.00 0.16 0.00 -1.80 -2.96 119.26 118.08 3pck h ALA 471 Ca -0.00 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3pck h ALA 471 Cb 0.55 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.30 3pck h ALA 471 CO 0.01 0.32 -1.32 0.25 0.00 0.00 0.00 179.25 178.50 3pck n THR 472 N -4.07 0.32 -1.63 0.00 -2.24 -0.62 -4.94 114.28 101.10 3pck n THR 472 Ca -0.02 -0.46 -0.48 0.00 -2.27 0.00 0.00 64.05 60.81 3pck n THR 472 Cb 0.32 -0.11 -0.04 0.00 -2.10 0.00 0.00 70.33 68.40 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 -2.38 1.63 -3.89 -0.78 3.00 -0.91 -4.75 118.16 110.08 3pck n LYS 473 Ca -0.01 0.58 -0.11 0.00 -0.00 0.00 0.00 58.31 58.78 3pck n LYS 473 Cb 0.53 -2.24 -0.12 0.00 0.00 0.00 0.00 35.03 33.21 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 0.56 1.77 -0.07 3.14 2.96 0.16 -5.02 118.68 122.18 3pck s LEU 474 Ca 0.77 -0.11 0.04 0.00 -0.22 0.00 0.00 54.13 54.61 3pck s LEU 474 Cb -0.79 0.37 -0.00 0.00 0.50 0.00 0.00 46.19 46.27 3pck s LEU 474 CO 0.46 -0.21 -0.21 -0.63 -1.32 0.00 0.00 176.35 174.45 3pck s ILE 475 N -0.79 1.75 0.00 6.68 1.01 -1.26 -0.61 121.20 127.98 3pck s ILE 475 Ca -0.09 -0.87 0.00 0.00 0.00 0.00 0.00 60.65 59.70 3pck s ILE 475 Cb -0.05 -1.51 0.00 0.00 0.01 0.00 0.00 42.46 40.91 3pck s ILE 475 CO 0.00 0.49 0.00 1.07 0.00 0.00 0.00 174.94 176.51 3pck n THR 476 N 3.34 0.00 -4.05 2.92 5.66 -0.10 -5.02 114.28 117.04 3pck n THR 476 Ca -0.19 0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 60.68 3pck n THR 476 Cb 0.52 0.00 -0.12 0.00 -1.55 0.00 0.00 70.33 69.18 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 -1.70 0.41 -0.11 1.09 -0.21 -1.26 -0.81 119.66 117.06 3pck s GLN 477 Ca 0.00 -0.54 -0.04 0.00 0.02 0.00 0.00 55.36 54.80 3pck s GLN 477 Cb 0.00 -0.20 -0.04 0.00 1.00 0.00 0.00 33.01 33.77 3pck s GLN 477 CO 0.00 0.04 0.05 -1.17 -2.12 0.00 0.00 175.29 172.09 3pck s LEU 478 N -1.11 3.87 0.30 2.90 0.20 0.75 -4.84 118.68 120.74 3pck s LEU 478 Ca -0.08 0.23 0.10 0.00 0.69 0.00 0.00 54.13 55.08 3pck s LEU 478 Cb -0.07 -1.92 -0.05 0.00 -0.43 0.00 0.00 46.19 43.72 3pck s LEU 478 CO -0.00 0.35 -0.07 -0.31 -0.29 0.00 0.00 176.35 176.03 3pck s TYR 479 N -0.72 2.50 -0.12 5.38 2.02 -0.18 -1.51 117.35 124.73 3pck s TYR 479 Ca 0.12 -0.34 -0.02 0.00 -0.37 0.00 0.00 57.07 56.46 3pck s TYR 479 Cb -0.12 -1.23 -0.03 0.00 -0.40 0.00 0.00 41.96 40.18 3pck s TYR 479 CO 0.02 0.61 -0.03 -0.06 -1.57 0.00 0.00 175.55 174.52 3pck s PHE 480 N -2.46 3.06 0.08 2.71 0.40 -1.26 -0.14 117.98 120.37 3pck s PHE 480 Ca 0.32 -0.06 -0.37 0.00 -0.60 0.00 0.00 56.93 56.23 3pck s PHE 480 Cb -0.04 -1.86 -0.17 0.00 0.51 0.00 0.00 43.02 41.47 3pck s PHE 480 CO 0.18 0.21 1.32 -1.91 0.70 0.00 0.00 175.22 175.72 3pck n GLU 481 N 2.81 1.06 -0.88 0.44 2.13 -0.37 -1.58 120.64 124.25 3pck n GLU 481 Ca -0.18 0.38 0.00 0.00 0.66 0.00 0.00 57.16 58.03 3pck n GLU 481 Cb 0.53 -2.01 0.00 0.00 0.27 0.00 0.00 31.44 30.22 3pck n GLU 481 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3pck n GLY 482 N 2.44 1.13 3.66 8.31 0.00 -1.26 -5.00 105.19 114.47 3pck n GLY 482 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 3pck n GLY 482 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3pck s ASP 483 N -3.04 6.49 0.53 1.61 -1.08 -0.62 -4.87 116.67 115.70 3pck s ASP 483 Ca 0.00 2.59 0.35 0.00 -0.52 0.00 0.00 52.55 54.97 3pck s ASP 483 Cb 0.00 -2.53 1.68 0.00 -1.46 0.00 0.00 42.92 40.61 3pck s ASP 483 CO 0.00 -1.03 2.05 1.55 0.52 0.00 0.00 175.17 178.26 3pck h PRO 484 N 10.38 0.00 0.00 4.34 0.13 -1.95 -2.43 132.00 142.48 3pck h PRO 484 Ca -0.48 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.60 3pck h PRO 484 Cb 1.23 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.35 3pck h PRO 484 CO 0.94 0.00 -0.27 -0.07 -0.23 0.00 0.00 178.00 178.37 3pck h LEU 485 N 0.00 0.00 -0.59 1.56 3.38 -1.95 -3.36 115.31 114.35 3pck h LEU 485 Ca 0.00 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.05 3pck h LEU 485 Cb 0.25 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 40.90 3pck h LEU 485 CO 0.00 0.27 -0.50 0.40 0.09 0.00 0.00 178.44 178.70 3pck h ILE 486 N 0.00 0.04 0.00 1.22 2.04 -1.82 -1.87 117.51 117.12 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 1.01 0.04 0.00 0.00 -0.74 0.00 0.00 36.82 37.13 3pck h ILE 486 CO 0.04 0.00 0.00 -0.81 0.00 0.00 0.00 178.15 177.38 3pck n PRO 487 N -5.37 0.15 0.00 2.37 -0.04 -1.26 -2.99 135.00 127.86 3pck n PRO 487 Ca 0.00 0.43 0.13 0.00 -0.04 0.00 0.00 63.50 64.01 3pck n PRO 487 Cb 0.34 -1.82 0.23 0.00 -0.04 0.00 0.00 33.50 32.21 3pck n PRO 487 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 3pck n MET 488 N -2.11 2.11 -3.10 0.54 2.81 -0.71 -4.95 117.12 111.71 3pck n MET 488 Ca 0.02 -1.62 -0.40 0.00 -1.81 0.00 0.00 57.70 53.89 3pck n MET 488 Cb 0.19 -1.47 -0.06 0.00 -0.71 0.00 0.00 33.22 31.18 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 7.51 0.48 -0.33 0.00 0.11 -1.91 0.19 132.00 138.06 3pck h PRO 490 Ca -0.31 -0.03 -0.16 0.00 0.11 0.00 0.00 66.00 65.62 3pck h PRO 490 Cb 1.14 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 32.14 3pck h PRO 490 CO 0.78 0.32 -0.40 0.82 -0.21 0.00 0.00 178.00 179.30 3pck h ILE 491 N 0.49 1.28 -0.20 4.15 2.04 -1.93 -2.52 117.51 120.83 3pck h ILE 491 Ca 0.19 -1.58 -0.02 0.00 1.00 0.00 0.00 64.86 64.45 3pck h ILE 491 Cb 0.13 1.51 -0.01 0.00 -0.74 0.00 0.00 36.82 37.71 3pck h ILE 491 CO -0.05 0.52 0.06 0.58 0.00 0.00 0.00 178.15 179.27 3pck h VAL 492 N 0.65 1.18 0.00 1.67 2.07 -1.69 -2.35 116.25 117.78 3pck h VAL 492 Ca 0.04 -0.58 0.00 0.00 0.82 0.00 0.00 66.70 66.99 3pck h VAL 492 Cb 1.00 1.20 0.00 0.00 -1.52 0.00 0.00 31.29 31.97 3pck h VAL 492 CO 0.10 0.18 0.00 0.29 0.02 0.00 0.00 177.57 178.16 3pck n LYS 493 N -4.80 0.16 0.21 1.57 5.02 0.61 -1.27 118.16 119.66 3pck n LYS 493 Ca -0.04 0.06 0.14 0.00 -2.02 0.00 0.00 58.31 56.45 3pck n LYS 493 Cb 0.15 -1.50 0.50 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 -3.59 4.39 4.64 -0.97 -3.39 113.55 114.62 3pck h SER 494 Ca 0.00 0.00 -0.63 0.00 -0.47 0.00 0.00 61.79 60.69 3pck h SER 494 Cb 0.01 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 61.97 3pck h SER 494 CO 0.00 0.00 0.29 -0.63 -0.87 0.00 0.00 176.83 175.62 3pck s ILE 495 N -3.42 4.73 0.30 0.95 1.01 -0.39 -3.64 121.20 120.75 3pck s ILE 495 Ca 0.04 0.47 0.03 0.00 0.00 0.00 0.00 60.65 61.20 3pck s ILE 495 Cb 0.09 -4.25 0.10 0.00 0.01 0.00 0.00 42.46 38.41 3pck s ILE 495 CO 0.54 -0.59 1.78 0.00 0.00 0.00 0.00 174.94 176.67 3pck h ALA 496 N 8.80 1.21 -2.67 9.38 0.00 -1.84 -3.43 119.26 130.71 3pck h ALA 496 Ca -0.25 -0.29 -0.64 0.00 0.00 0.00 0.00 54.91 53.73 3pck h ALA 496 Cb 1.09 -0.13 -0.16 0.00 0.00 0.00 0.00 17.79 18.59 3pck h ALA 496 CO 0.92 0.51 -0.26 1.21 0.00 0.00 0.00 179.25 181.63 3pck s ASN 497 N -6.78 6.21 0.62 0.00 3.04 -1.26 -4.97 114.94 111.79 3pck s ASN 497 Ca -0.07 0.05 0.33 0.00 0.04 0.00 0.00 52.86 53.21 3pck s ASN 497 Cb 0.14 -2.20 1.87 0.00 -1.54 0.00 0.00 41.25 39.52 3pck s ASN 497 CO 0.78 -0.25 2.16 1.55 -3.04 0.00 0.00 177.10 178.30 3pck h PRO 498 N 8.32 0.00 -0.09 0.43 0.13 -2.00 0.24 132.00 139.03 3pck h PRO 498 Ca -0.31 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.65 3pck h PRO 498 Cb 1.15 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 3pck h PRO 498 CO 0.66 0.00 -0.69 0.93 -0.23 0.00 0.00 178.00 178.68 3pck h GLU 499 N 0.00 0.38 -0.56 0.86 5.08 -1.97 -2.62 114.58 115.75 3pck h GLU 499 Ca 0.04 -0.29 -0.11 0.00 -1.00 0.00 0.00 59.36 58.00 3pck h GLU 499 Cb 0.33 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 3pck h GLU 499 CO -0.00 0.92 -0.07 0.00 -1.00 0.00 0.00 179.01 178.86 3pck h ALA 500 N 1.00 0.82 -0.78 3.43 0.00 -1.32 -2.79 119.26 119.61 3pck h ALA 500 Ca -0.02 -0.34 0.04 0.00 0.00 0.00 0.00 54.91 54.59 3pck h ALA 500 Cb 1.24 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.78 3pck h ALA 500 CO 0.12 0.67 0.49 0.28 0.00 0.00 0.00 179.25 180.80 3pck h VAL 501 N 0.92 1.08 -0.76 0.00 2.07 -1.35 -2.33 116.25 115.88 3pck h VAL 501 Ca 0.15 -0.32 0.14 0.00 0.82 0.00 0.00 66.70 67.49 3pck h VAL 501 Cb 0.63 0.07 -0.05 0.00 -1.52 0.00 0.00 31.29 30.42 3pck h VAL 501 CO 0.04 0.17 0.51 1.56 0.02 0.00 0.00 177.57 179.87 3pck h GLN 502 N 0.93 0.45 0.00 1.57 1.08 -1.19 -0.74 115.11 117.22 3pck h GLN 502 Ca 0.32 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.50 3pck h GLN 502 Cb 0.07 -0.10 0.00 0.00 -0.05 0.00 0.00 27.48 27.40 3pck h GLN 502 CO -0.13 0.30 0.00 1.96 -0.95 0.00 0.00 178.83 180.01 3pck h GLN 503 N 0.47 0.00 -0.01 1.46 4.20 -1.42 -2.09 115.11 117.72 3pck h GLN 503 Ca 0.37 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.08 3pck h GLN 503 Cb 0.79 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.57 3pck h GLN 503 CO -0.13 0.00 -0.34 1.28 -0.67 0.00 0.00 178.83 178.97 3pck n LEU 504 N -2.41 1.34 -4.64 1.46 4.77 -0.29 -4.90 117.00 112.33 3pck n LEU 504 Ca 0.01 -0.42 -0.40 0.00 -0.03 0.00 0.00 56.01 55.17 3pck n LEU 504 Cb 0.20 -0.08 -0.07 0.00 -2.33 0.00 0.00 43.42 41.14 3pck n LEU 504 CO 0.19 0.25 0.26 -0.63 -1.33 0.00 0.00 177.39 176.14 3pck s ILE 505 N -2.51 5.08 0.18 -0.08 1.01 -0.79 -1.01 121.20 123.08 3pck s ILE 505 Ca 0.22 0.95 -0.28 0.00 0.00 0.00 0.00 60.65 61.55 3pck s ILE 505 Cb 0.19 -3.85 -0.08 0.00 0.01 0.00 0.00 42.46 38.73 3pck s ILE 505 CO 0.54 0.12 0.86 0.00 0.00 0.00 0.00 174.94 176.47 3pck s ALA 506 N 2.00 3.38 -0.00 9.38 0.00 0.80 -4.89 121.76 132.43 3pck s ALA 506 Ca 0.23 0.48 -0.01 0.00 0.00 0.00 0.00 51.96 52.66 3pck s ALA 506 Cb -0.15 -3.09 -0.04 0.00 0.00 0.00 0.00 23.12 19.83 3pck s ALA 506 CO 0.09 0.21 0.12 0.15 0.00 0.00 0.00 175.76 176.33 3pck s LYS 507 N -0.96 3.18 0.21 0.00 -0.14 -0.90 -1.24 119.74 119.89 3pck s LYS 507 Ca 0.39 -0.44 -0.32 0.00 -1.36 0.00 0.00 55.97 54.25 3pck s LYS 507 Cb -0.24 -2.93 -0.11 0.00 -1.68 0.00 0.00 37.83 32.86 3pck s LYS 507 CO 0.29 0.65 1.67 -1.17 -0.76 0.00 0.00 175.35 176.03 3pck s LEU 508 N -1.84 4.37 -0.62 3.17 2.96 -1.26 -0.65 118.68 124.81 3pck s LEU 508 Ca 0.25 2.81 0.05 0.00 -0.22 0.00 0.00 54.13 57.01 3pck s LEU 508 Cb -0.12 -3.60 0.17 0.00 0.50 0.00 0.00 46.19 43.13 3pck s LEU 508 CO 0.16 -0.93 0.44 -0.62 -1.32 0.00 0.00 176.35 174.08 3pck s ASP 509 N 1.10 4.06 0.52 3.68 -1.08 0.15 -4.83 116.67 120.27 3pck s ASP 509 Ca 0.73 -3.58 0.18 0.00 -0.52 0.00 0.00 52.55 49.36 3pck s ASP 509 Cb -0.48 -1.36 1.31 0.00 -1.46 0.00 0.00 42.92 40.93 3pck s ASP 509 CO 0.33 -0.12 2.12 0.24 0.52 0.00 0.00 175.17 178.26 3pck h MET 510 N 5.58 0.00 -0.14 4.34 2.86 -1.93 -2.43 114.93 123.22 3pck h MET 510 Ca 0.15 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.73 3pck h MET 510 Cb 0.80 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.45 3pck h MET 510 CO 0.63 0.00 -0.17 -0.91 1.06 0.00 0.00 176.91 177.52 3pck h ASN 511 N 0.00 0.22 0.01 1.22 2.35 -1.95 -2.92 115.58 114.51 3pck h ASN 511 Ca 0.05 -0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3pck h ASN 511 Cb 0.21 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.52 3pck h ASN 511 CO -0.00 0.42 -0.12 -3.20 -1.65 0.00 0.00 177.43 172.88 3pck n ASN 512 N -4.24 2.19 -4.79 5.81 5.15 -0.92 -4.96 115.26 113.50 3pck n ASN 512 Ca -0.01 -1.65 -0.33 0.00 -0.60 0.00 0.00 54.58 52.00 3pck n ASN 512 Cb 0.30 0.10 0.02 0.00 -0.53 0.00 0.00 39.78 39.67 3pck n ASN 512 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3pck s ALA 513 N -2.14 2.66 -0.43 5.20 0.00 -1.10 -4.73 121.76 121.22 3pck s ALA 513 Ca 0.29 0.42 -0.11 0.00 0.00 0.00 0.00 51.96 52.56 3pck s ALA 513 Cb 0.20 -3.25 0.08 0.00 0.00 0.00 0.00 23.12 20.14 3pck s ALA 513 CO 0.38 -0.96 0.29 -0.80 0.00 0.00 0.00 175.76 174.68 3pck s ASN 514 N -2.77 5.76 0.42 0.00 0.01 -0.29 -5.02 114.94 113.04 3pck s ASN 514 Ca 0.64 -1.47 -0.24 0.00 -0.71 0.00 0.00 52.86 51.08 3pck s ASN 514 Cb -0.17 -2.03 -0.11 0.00 0.41 0.00 0.00 41.25 39.34 3pck s ASN 514 CO 0.39 -0.57 0.89 -2.65 -1.51 0.00 0.00 177.10 173.65 3pck n PRO 515 N 4.98 1.12 -2.01 -0.60 -0.02 -1.26 -1.09 135.00 136.13 3pck n PRO 515 Ca -0.11 0.40 -0.15 0.00 -2.02 0.00 0.00 63.50 61.62 3pck n PRO 515 Cb 0.43 -1.89 -0.03 0.00 -0.02 0.00 0.00 33.50 31.99 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 0.25 -1.73 0.10 -0.52 2.81 -1.26 -4.72 117.12 112.05 3pck n MET 516 Ca 0.10 0.82 0.00 0.00 -1.81 0.00 0.00 57.70 56.81 3pck n MET 516 Cb 0.39 -5.30 0.00 0.00 -0.71 0.00 0.00 33.22 27.60 3pck n MET 516 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 3pck n ASP 517 N -1.40 -0.65 -3.69 7.83 2.03 -0.25 -5.16 116.55 115.26 3pck n ASP 517 Ca -0.17 0.34 -0.12 0.00 0.52 0.00 0.00 54.79 55.35 3pck n ASP 517 Cb 0.58 0.76 -0.07 0.00 -0.72 0.00 0.00 41.12 41.67 3pck n ASP 517 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3pck s LEU 519 N -2.05 2.98 0.02 0.00 1.43 -0.86 -1.14 118.68 119.07 3pck s LEU 519 Ca -0.05 0.23 0.01 0.00 -1.03 0.00 0.00 54.13 53.29 3pck s LEU 519 Cb -0.01 -2.92 -0.02 0.00 0.03 0.00 0.00 46.19 43.27 3pck s LEU 519 CO -0.03 -1.50 -0.04 0.00 0.23 0.00 0.00 176.35 175.01 3pck s ALA 520 N -3.09 0.27 0.00 4.21 0.00 -1.26 -0.46 121.76 121.43 3pck s ALA 520 Ca 0.60 -0.56 0.05 0.00 0.00 0.00 0.00 51.96 52.05 3pck s ALA 520 Cb -0.10 0.08 -0.01 0.00 0.00 0.00 0.00 23.12 23.09 3pck s ALA 520 CO 0.43 -0.08 -0.16 0.71 0.00 0.00 0.00 175.76 176.66 3pck s TYR 521 N -1.19 1.41 -0.15 0.00 1.51 0.01 0.32 117.35 119.27 3pck s TYR 521 Ca -0.11 -0.29 -0.03 0.00 -1.01 0.00 0.00 57.07 55.62 3pck s TYR 521 Cb -0.08 -0.89 -0.03 0.00 -0.11 0.00 0.00 41.96 40.84 3pck s TYR 521 CO -0.00 -0.00 -0.03 0.50 -1.11 0.00 0.00 175.55 174.90 3pck s ARG 522 N -0.57 3.58 -0.16 -0.62 6.06 0.18 -1.47 118.95 125.95 3pck s ARG 522 Ca 0.05 -0.50 -0.05 0.00 -2.50 0.00 0.00 55.73 52.74 3pck s ARG 522 Cb -0.07 -2.90 0.06 0.00 0.06 0.00 0.00 34.95 32.11 3pck s ARG 522 CO -0.00 0.31 0.11 0.12 -2.50 0.00 0.00 175.30 173.33 3pck s PHE 523 N 0.19 0.11 0.04 5.12 5.36 0.45 -2.12 117.98 127.14 3pck s PHE 523 Ca -0.01 -0.19 0.00 0.00 -0.96 0.00 0.00 56.93 55.77 3pck s PHE 523 Cb -0.14 -0.63 -0.04 0.00 -0.34 0.00 0.00 43.02 41.88 3pck s PHE 523 CO 0.03 -0.50 0.15 -0.51 -1.46 0.00 0.00 175.22 172.93 3pck s ASP 524 N 2.17 6.02 -0.06 6.13 1.01 -1.26 -3.56 116.67 127.12 3pck s ASP 524 Ca 0.03 0.19 0.05 0.00 0.71 0.00 0.00 52.55 53.52 3pck s ASP 524 Cb -0.16 -1.78 -0.00 0.00 1.01 0.00 0.00 42.92 41.99 3pck s ASP 524 CO -0.09 0.20 -0.20 -0.63 0.21 0.00 0.00 175.17 174.66 3pck s ILE 525 N -1.39 1.67 -0.20 0.77 1.01 0.33 -4.91 121.20 118.48 3pck s ILE 525 Ca 0.30 -0.84 -0.03 0.00 0.00 0.00 0.00 60.65 60.08 3pck s ILE 525 Cb -0.13 -1.43 -0.01 0.00 0.01 0.00 0.00 42.46 40.90 3pck s ILE 525 CO 0.22 0.47 -0.05 -0.69 0.00 0.00 0.00 174.94 174.90 3pck s VAL 526 N 0.08 3.42 0.28 2.92 1.01 -1.25 -1.14 120.40 125.71 3pck s VAL 526 Ca -0.07 -0.49 0.06 0.00 0.00 0.00 0.00 61.98 61.48 3pck s VAL 526 Cb -0.13 -2.53 -0.02 0.00 0.00 0.00 0.00 36.38 33.69 3pck s VAL 526 CO 0.04 0.44 0.38 -0.76 0.00 0.00 0.00 175.10 175.20 3pck s LEU 527 N 1.18 4.09 0.27 3.92 1.43 0.04 -4.93 118.68 124.67 3pck s LEU 527 Ca 0.02 -0.10 -0.29 0.00 -1.03 0.00 0.00 54.13 52.73 3pck s LEU 527 Cb -0.14 -2.72 -0.14 0.00 0.03 0.00 0.00 46.19 43.22 3pck s LEU 527 CO -0.01 -0.22 1.03 0.54 0.23 0.00 0.00 176.35 177.92 3pck n ARG 528 N -1.46 1.30 -1.95 1.70 1.74 -1.26 -1.26 116.66 115.46 3pck n ARG 528 Ca -0.05 0.46 -0.41 0.00 -0.77 0.00 0.00 57.85 57.07 3pck n ARG 528 Cb 0.58 -1.84 -0.02 0.00 -1.02 0.00 0.00 32.46 30.16 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 -0.46 2.58 -0.14 -0.13 0.00 -1.26 -4.35 107.32 103.56 3pck s GLY 529 Ca 0.61 1.41 0.00 0.00 0.00 0.00 0.00 44.72 46.74 3pck s GLY 529 CO 0.58 2.24 -0.14 1.62 0.00 0.00 0.00 173.10 177.40 3pck s GLN 530 N -1.11 3.31 0.10 2.90 0.74 -1.26 -0.48 119.66 123.86 3pck s GLN 530 Ca 0.56 -0.72 0.02 0.00 0.05 0.00 0.00 55.36 55.27 3pck s GLN 530 Cb -0.43 -2.62 -0.04 0.00 1.10 0.00 0.00 33.01 31.01 3pck s GLN 530 CO 0.51 0.13 -0.06 -0.98 -0.55 0.00 0.00 175.29 174.34 3pck s ARG 531 N 0.55 0.85 0.68 1.67 1.70 -0.76 -4.96 118.95 118.67 3pck s ARG 531 Ca -0.09 -1.35 -0.10 0.00 -0.47 0.00 0.00 55.73 53.72 3pck s ARG 531 Cb -0.16 -0.21 0.01 0.00 -0.57 0.00 0.00 34.95 34.02 3pck s ARG 531 CO 0.04 -0.03 1.05 -1.59 -1.08 0.00 0.00 175.30 173.70 3pck s LYS 532 N -3.84 2.93 0.62 3.89 -2.85 -1.26 -1.02 119.74 118.21 3pck s LYS 532 Ca 0.13 0.40 -0.14 0.00 -1.00 0.00 0.00 55.97 55.36 3pck s LYS 532 Cb 0.05 -2.07 -0.03 0.00 -2.06 0.00 0.00 37.83 33.72 3pck s LYS 532 CO -0.04 -0.93 1.05 0.95 0.10 0.00 0.00 175.35 176.47 3pck s THR 533 N -3.27 4.05 -0.26 3.79 -4.23 -1.24 -4.70 115.64 109.78 3pck s THR 533 Ca 0.57 0.85 -0.20 0.00 -1.18 0.00 0.00 61.69 61.72 3pck s THR 533 Cb -0.11 -3.47 0.07 0.00 1.34 0.00 0.00 72.50 70.33 3pck s THR 533 CO 0.51 -0.69 0.66 -1.38 -0.54 0.00 0.00 174.62 173.17 3pck s HIS 534 N -2.73 -0.83 -1.06 3.99 -3.43 -1.26 -4.94 115.29 105.04 3pck s HIS 534 Ca 0.60 1.87 0.00 0.00 -0.80 0.00 0.00 55.06 56.73 3pck s HIS 534 Cb -0.14 0.37 0.00 0.00 -1.43 0.00 0.00 32.58 31.38 3pck s HIS 534 CO 0.43 -0.41 0.00 1.19 -2.00 0.00 0.00 174.74 173.96 3pck n PHE 535 N 3.30 -1.40 1.96 0.38 3.72 -1.26 -5.25 117.46 118.90 3pck n PHE 535 Ca -0.16 0.00 0.16 0.00 -0.05 0.00 0.00 57.45 57.40 3pck n PHE 535 Cb 0.56 -2.75 0.91 0.00 -0.94 0.00 0.00 39.48 37.27 3pck n PHE 535 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10