#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p8x n ASP 413 N 0.00 0.00 -4.62 7.83 9.92 -1.26 -4.78 116.55 123.64 1p8x n ASP 413 Ca 0.00 -0.75 -0.39 0.00 -0.53 0.00 0.00 54.79 53.12 1p8x n ASP 413 Cb 0.00 0.00 0.03 0.00 -0.64 0.00 0.00 41.12 40.51 1p8x n ASP 413 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1p8x n ASP 414 N -1.00 1.12 -0.36 -2.24 2.03 -1.26 -4.85 116.55 109.99 1p8x n ASP 414 Ca 0.18 0.91 0.12 0.00 0.52 0.00 0.00 54.79 56.53 1p8x n ASP 414 Cb 0.08 -1.39 0.55 0.00 -0.72 0.00 0.00 41.12 39.64 1p8x n ASP 414 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 1p8x n ASP 415 N -0.24 1.10 0.00 1.67 5.68 -1.26 -4.93 116.55 118.56 1p8x n ASP 415 Ca 0.11 -1.48 0.00 0.00 -0.50 0.00 0.00 54.79 52.93 1p8x n ASP 415 Cb 0.44 -0.04 0.00 0.00 -1.14 0.00 0.00 41.12 40.38 1p8x n ASP 415 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1p8x n GLY 416 N 1.08 0.85 0.87 6.12 0.00 -1.26 -4.87 105.19 107.97 1p8x n GLY 416 Ca 0.18 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.31 1p8x n GLY 416 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1p8x n THR 417 N -2.26 0.42 -0.69 2.61 -2.24 -1.26 -4.29 114.28 106.57 1p8x n THR 417 Ca 0.00 -0.57 -0.30 0.00 -2.27 0.00 0.00 64.05 60.91 1p8x n THR 417 Cb 0.00 0.60 0.26 0.00 -2.10 0.00 0.00 70.33 69.09 1p8x n THR 417 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1p8x s GLY 418 N -1.42 1.50 0.27 3.38 0.00 -1.26 -4.97 107.32 104.82 1p8x s GLY 418 Ca 0.35 -0.63 -0.28 0.00 0.00 0.00 0.00 44.72 44.17 1p8x s GLY 418 CO 0.28 0.23 0.92 1.62 0.00 0.00 0.00 173.10 176.15 1p8x s GLN 419 N -4.98 4.70 0.05 2.90 -0.44 -1.11 -4.85 119.66 115.93 1p8x s GLN 419 Ca 0.69 1.37 -0.01 0.00 -2.50 0.00 0.00 55.36 54.91 1p8x s GLN 419 Cb -0.16 -3.06 -0.04 0.00 -1.64 0.00 0.00 33.01 28.11 1p8x s GLN 419 CO 0.59 0.42 -0.03 -1.59 0.50 0.00 0.00 175.29 175.19 1p8x s LYS 420 N -1.58 0.60 -0.03 1.67 -2.85 -1.26 -0.67 119.74 115.62 1p8x s LYS 420 Ca 0.45 -1.18 0.04 0.00 -1.00 0.00 0.00 55.97 54.28 1p8x s LYS 420 Cb -0.22 0.21 -0.00 0.00 -2.06 0.00 0.00 37.83 35.75 1p8x s LYS 420 CO 0.28 -0.11 -0.14 -0.65 0.10 0.00 0.00 175.35 174.82 1p8x s GLN 421 N -3.77 1.40 -0.06 1.78 -0.21 -0.01 -5.00 119.66 113.79 1p8x s GLN 421 Ca 0.06 -0.51 0.03 0.00 0.02 0.00 0.00 55.36 54.96 1p8x s GLN 421 Cb 0.07 -1.27 0.01 0.00 1.00 0.00 0.00 33.01 32.82 1p8x s GLN 421 CO -0.09 0.23 -0.14 0.42 -2.12 0.00 0.00 175.29 173.58 1p8x s ILE 422 N -0.03 1.28 0.16 1.08 1.01 -1.26 -1.11 121.20 122.33 1p8x s ILE 422 Ca -0.01 -0.58 0.10 0.00 0.00 0.00 0.00 60.65 60.16 1p8x s ILE 422 Cb -0.09 -1.14 -0.04 0.00 0.01 0.00 0.00 42.46 41.20 1p8x s ILE 422 CO 0.01 0.38 -0.22 0.26 0.00 0.00 0.00 174.94 175.38 1p8x s TRP 423 N 0.48 2.02 -0.09 3.97 0.51 -0.17 -0.72 118.94 124.95 1p8x s TRP 423 Ca -0.12 -0.41 0.01 0.00 -2.12 0.00 0.00 56.10 53.46 1p8x s TRP 423 Cb -0.15 -1.04 -0.02 0.00 -0.81 0.00 0.00 33.47 31.45 1p8x s TRP 423 CO 0.04 0.36 -0.12 0.50 -0.51 0.00 0.00 176.95 177.21 1p8x s ARG 424 N -2.48 2.94 -0.01 4.98 3.52 0.58 -1.15 118.95 127.32 1p8x s ARG 424 Ca 0.15 -0.67 -0.30 0.00 -0.13 0.00 0.00 55.73 54.78 1p8x s ARG 424 Cb -0.08 -2.53 -0.05 0.00 -1.56 0.00 0.00 34.95 30.73 1p8x s ARG 424 CO 0.07 0.45 1.43 0.42 -0.81 0.00 0.00 175.30 176.86 1p8x s ILE 425 N -0.26 3.68 -0.26 4.11 1.09 -0.36 -0.18 121.20 129.03 1p8x s ILE 425 Ca 0.02 1.04 -0.01 0.00 -1.10 0.00 0.00 60.65 60.60 1p8x s ILE 425 Cb -0.13 -3.67 0.08 0.00 -1.06 0.00 0.00 42.46 37.68 1p8x s ILE 425 CO 0.03 -0.02 0.05 -1.61 -0.10 0.00 0.00 174.94 173.29 1p8x s GLU 426 N 2.64 0.85 6.57 2.79 2.02 0.40 -4.66 118.70 129.32 1p8x s GLU 426 Ca 0.65 -0.85 0.00 0.00 0.02 0.00 0.00 54.97 54.79 1p8x s GLU 426 Cb -0.32 -2.15 0.00 0.00 0.10 0.00 0.00 34.13 31.77 1p8x s GLU 426 CO 0.26 -0.80 0.00 0.41 0.02 0.00 0.00 175.26 175.15 1p8x n GLY 427 N 4.88 2.20 0.67 -1.39 0.00 -1.26 -1.88 105.19 108.41 1p8x n GLY 427 Ca -0.06 -0.42 0.12 0.00 0.00 0.00 0.00 46.02 45.67 1p8x n GLY 427 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1p8x n SER 428 N 4.62 2.05 -4.77 1.61 3.41 -1.26 -4.87 113.62 114.41 1p8x n SER 428 Ca 0.00 -1.72 -0.22 0.00 -0.26 0.00 0.00 58.87 56.67 1p8x n SER 428 Cb 0.00 -0.07 -0.05 0.00 -0.26 0.00 0.00 64.21 63.83 1p8x n SER 428 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1p8x s ASN 429 N -1.78 4.94 -0.18 4.04 0.01 -0.79 -4.89 114.94 116.30 1p8x s ASN 429 Ca 0.35 -0.62 -0.07 0.00 -0.71 0.00 0.00 52.86 51.80 1p8x s ASN 429 Cb 0.20 -0.88 -0.04 0.00 0.41 0.00 0.00 41.25 40.94 1p8x s ASN 429 CO 0.30 -0.26 0.07 -1.59 -1.51 0.00 0.00 177.10 174.11 1p8x s LYS 430 N -3.88 3.95 -0.14 -0.60 -2.85 -1.26 -0.45 119.74 114.51 1p8x s LYS 430 Ca 0.38 -0.32 0.01 0.00 -1.00 0.00 0.00 55.97 55.03 1p8x s LYS 430 Cb -0.04 -3.22 -0.01 0.00 -2.06 0.00 0.00 37.83 32.50 1p8x s LYS 430 CO 0.24 0.31 -0.16 0.08 0.10 0.00 0.00 175.35 175.92 1p8x s VAL 431 N 0.27 2.73 0.21 1.79 1.01 0.75 -4.87 120.40 122.29 1p8x s VAL 431 Ca 0.04 -0.76 -0.32 0.00 0.00 0.00 0.00 61.98 60.94 1p8x s VAL 431 Cb -0.12 -2.14 -0.15 0.00 0.00 0.00 0.00 36.38 33.98 1p8x s VAL 431 CO 0.00 0.52 1.28 -2.65 0.00 0.00 0.00 175.10 174.26 1p8x n PRO 432 N 3.77 1.59 -3.19 2.72 -0.02 -1.26 -0.31 135.00 138.30 1p8x n PRO 432 Ca -0.19 0.57 -0.35 0.00 -2.02 0.00 0.00 63.50 61.51 1p8x n PRO 432 Cb 0.52 -2.14 -0.06 0.00 -0.02 0.00 0.00 33.50 31.80 1p8x n PRO 432 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1p8x s VAL 433 N -0.12 4.67 -0.13 -1.45 1.01 0.10 -4.80 120.40 119.69 1p8x s VAL 433 Ca 0.71 1.09 -0.32 0.00 0.00 0.00 0.00 61.98 63.46 1p8x s VAL 433 Cb -0.75 -3.78 -0.09 0.00 0.00 0.00 0.00 36.38 31.75 1p8x s VAL 433 CO 0.51 0.16 2.04 -0.67 0.00 0.00 0.00 175.10 177.13 1p8x n ASP 434 N 0.58 3.40 0.03 3.32 4.64 -1.26 -4.81 116.55 122.44 1p8x n ASP 434 Ca -0.02 0.68 0.21 0.00 -1.38 0.00 0.00 54.79 54.28 1p8x n ASP 434 Cb 0.52 -1.44 0.73 0.00 -1.04 0.00 0.00 41.12 39.89 1p8x n ASP 434 CO 0.00 0.00 0.00 -0.65 -0.82 0.00 0.00 177.20 175.73 1p8x h PRO 435 N 11.48 0.00 0.00 -0.67 0.11 -1.95 0.17 132.00 141.15 1p8x h PRO 435 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1p8x h PRO 435 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1p8x h PRO 435 CO 0.96 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.75 1p8x n ALA 436 N -2.50 1.64 -0.19 -0.75 0.00 -1.26 -3.10 120.51 114.35 1p8x n ALA 436 Ca 0.09 0.06 0.04 0.00 0.00 0.00 0.00 53.44 53.63 1p8x n ALA 436 Cb 0.65 -1.35 0.12 0.00 0.00 0.00 0.00 19.45 18.87 1p8x n ALA 436 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1p8x n THR 437 N -2.06 1.08 -1.63 0.00 -2.24 0.59 -5.02 114.28 105.01 1p8x n THR 437 Ca 0.02 -1.07 -0.49 0.00 -2.27 0.00 0.00 64.05 60.24 1p8x n THR 437 Cb 0.21 0.45 -0.05 0.00 -2.10 0.00 0.00 70.33 68.83 1p8x n THR 437 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1p8x n TYR 438 N 0.16 1.89 0.00 4.78 0.53 -1.18 -0.64 117.16 122.70 1p8x n TYR 438 Ca 0.09 0.46 0.00 0.00 -1.02 0.00 0.00 57.90 57.43 1p8x n TYR 438 Cb 0.41 -2.44 0.00 0.00 -1.03 0.00 0.00 39.34 36.28 1p8x n TYR 438 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1p8x n GLY 439 N 2.97 2.77 3.54 2.72 0.00 -1.26 -5.00 105.19 110.93 1p8x n GLY 439 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 1p8x n GLY 439 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1p8x s GLN 440 N -0.45 3.77 0.07 1.61 1.11 0.19 -1.17 119.66 124.79 1p8x s GLN 440 Ca 0.00 -0.47 0.02 0.00 0.01 0.00 0.00 55.36 54.93 1p8x s GLN 440 Cb 0.00 -3.00 -0.03 0.00 -1.01 0.00 0.00 33.01 28.96 1p8x s GLN 440 CO 0.00 0.25 -0.08 -0.06 0.01 0.00 0.00 175.29 175.41 1p8x s PHE 441 N 0.36 0.82 -0.19 0.91 0.40 0.81 -4.97 117.98 116.12 1p8x s PHE 441 Ca -0.02 -0.65 -0.18 0.00 -0.60 0.00 0.00 56.93 55.48 1p8x s PHE 441 Cb -0.14 -0.48 -0.03 0.00 0.51 0.00 0.00 43.02 42.88 1p8x s PHE 441 CO 0.02 -0.09 0.49 0.71 0.70 0.00 0.00 175.22 177.06 1p8x s TYR 442 N -2.23 3.39 0.20 0.36 2.02 -1.26 -0.13 117.35 119.71 1p8x s TYR 442 Ca -0.01 0.76 0.35 0.00 -0.37 0.00 0.00 57.07 57.81 1p8x s TYR 442 Cb -0.04 -2.63 1.72 0.00 -0.40 0.00 0.00 41.96 40.61 1p8x s TYR 442 CO -0.01 -0.05 2.05 0.78 -1.57 0.00 0.00 175.55 176.75 1p8x h GLY 443 N 7.72 0.00 0.89 0.71 0.00 -1.04 -2.00 103.07 109.35 1p8x h GLY 443 Ca -0.35 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.98 1p8x h GLY 443 CO 0.74 0.00 -0.03 0.61 0.00 0.00 0.00 176.54 177.86 1p8x n GLY 444 N -0.66 -0.91 3.58 4.60 0.00 -0.58 -0.57 105.19 110.65 1p8x n GLY 444 Ca -0.01 -0.24 -0.26 0.00 0.00 0.00 0.00 46.02 45.51 1p8x n GLY 444 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1p8x s ASP 445 N -2.23 3.46 0.09 1.61 1.01 -0.75 -3.34 116.67 116.52 1p8x s ASP 445 Ca 0.38 -1.39 0.07 0.00 0.71 0.00 0.00 52.55 52.32 1p8x s ASP 445 Cb 0.21 -0.27 -0.04 0.00 1.01 0.00 0.00 42.92 43.83 1p8x s ASP 445 CO 0.41 -0.51 -0.11 -0.44 0.21 0.00 0.00 175.17 174.73 1p8x s SER 446 N -3.65 4.34 0.08 0.27 0.01 -1.26 -0.58 113.70 112.91 1p8x s SER 446 Ca 0.34 -0.37 0.01 0.00 1.31 0.00 0.00 55.95 57.24 1p8x s SER 446 Cb 0.09 -0.83 -0.04 0.00 0.21 0.00 0.00 66.02 65.46 1p8x s SER 446 CO 0.17 0.19 -0.06 -0.31 0.41 0.00 0.00 173.24 173.65 1p8x s TYR 447 N -1.17 0.75 -0.08 2.43 1.51 0.14 -1.22 117.35 119.71 1p8x s TYR 447 Ca 0.20 -0.89 0.03 0.00 -1.01 0.00 0.00 57.07 55.40 1p8x s TYR 447 Cb -0.11 -0.46 0.01 0.00 -0.11 0.00 0.00 41.96 41.29 1p8x s TYR 447 CO 0.12 -0.20 -0.17 0.42 -1.11 0.00 0.00 175.55 174.62 1p8x s ILE 448 N -3.35 1.49 -0.15 2.71 1.01 -0.30 -0.60 121.20 122.01 1p8x s ILE 448 Ca 0.07 -0.68 0.02 0.00 0.00 0.00 0.00 60.65 60.06 1p8x s ILE 448 Cb 0.04 -1.33 0.01 0.00 0.01 0.00 0.00 42.46 41.19 1p8x s ILE 448 CO -0.05 0.43 -0.21 -0.63 0.00 0.00 0.00 174.94 174.48 1p8x s ILE 449 N 0.58 2.02 -0.29 2.92 1.01 0.48 -1.00 121.20 126.92 1p8x s ILE 449 Ca -0.15 -0.94 -0.09 0.00 0.00 0.00 0.00 60.65 59.46 1p8x s ILE 449 Cb -0.16 -1.80 -0.02 0.00 0.01 0.00 0.00 42.46 40.49 1p8x s ILE 449 CO 0.05 0.54 0.14 -0.22 0.00 0.00 0.00 174.94 175.45 1p8x s LEU 450 N 0.94 3.96 -0.17 2.97 2.96 -0.26 -0.63 118.68 128.44 1p8x s LEU 450 Ca -0.04 -0.41 -0.00 0.00 -0.22 0.00 0.00 54.13 53.46 1p8x s LEU 450 Cb -0.15 -2.00 0.00 0.00 0.50 0.00 0.00 46.19 44.55 1p8x s LEU 450 CO -0.05 -0.15 -0.14 -0.47 -1.32 0.00 0.00 176.35 174.23 1p8x s TYR 451 N 1.63 2.81 -0.16 5.38 5.04 0.09 -0.83 117.35 131.31 1p8x s TYR 451 Ca 0.05 -1.10 -0.06 0.00 -2.44 0.00 0.00 57.07 53.51 1p8x s TYR 451 Cb -0.17 -1.93 -0.04 0.00 0.35 0.00 0.00 41.96 40.18 1p8x s TYR 451 CO 0.06 -0.53 0.06 -0.80 -1.34 0.00 0.00 175.55 173.01 1p8x s ASN 452 N 0.98 5.69 0.17 4.32 -0.87 0.16 -1.08 114.94 124.31 1p8x s ASN 452 Ca -0.02 0.15 -0.03 0.00 -1.57 0.00 0.00 52.86 51.39 1p8x s ASN 452 Cb -0.15 -1.90 -0.03 0.00 -0.02 0.00 0.00 41.25 39.15 1p8x s ASN 452 CO -0.02 0.24 0.15 -0.72 -2.57 0.00 0.00 177.10 174.18 1p8x s TYR 453 N -0.05 0.89 -0.04 2.20 -0.85 0.02 -2.76 117.35 116.77 1p8x s TYR 453 Ca 0.06 -1.20 -0.01 0.00 -0.52 0.00 0.00 57.07 55.40 1p8x s TYR 453 Cb -0.12 -0.41 0.03 0.00 0.38 0.00 0.00 41.96 41.84 1p8x s TYR 453 CO 0.01 -0.64 0.03 0.50 -1.52 0.00 0.00 175.55 173.93 1p8x s ARG 454 N -4.09 0.16 -0.04 -3.49 3.52 -1.26 -0.77 118.95 112.99 1p8x s ARG 454 Ca 0.30 0.24 -0.12 0.00 -0.13 0.00 0.00 55.73 56.02 1p8x s ARG 454 Cb 0.06 -0.59 0.02 0.00 -1.56 0.00 0.00 34.95 32.88 1p8x s ARG 454 CO 0.07 -0.27 0.27 -1.58 -0.81 0.00 0.00 175.30 172.97 1p8x s HIS 455 N 1.78 -0.18 -1.14 5.12 2.46 -0.54 -4.86 115.29 117.94 1p8x s HIS 455 Ca 0.01 0.36 -0.04 0.00 0.47 0.00 0.00 55.06 55.86 1p8x s HIS 455 Cb -0.12 0.07 0.03 0.00 -0.13 0.00 0.00 32.58 32.42 1p8x s HIS 455 CO -0.03 -0.29 0.22 0.41 -2.47 0.00 0.00 174.74 172.58 1p8x n GLY 456 N 1.88 -0.50 2.30 1.59 0.00 -1.26 -0.44 105.19 108.76 1p8x n GLY 456 Ca -0.19 0.04 -0.02 0.00 0.00 0.00 0.00 46.02 45.86 1p8x n GLY 456 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p8x n GLY 457 N -0.98 0.49 3.10 -0.02 0.00 -1.26 -5.02 105.19 101.50 1p8x n GLY 457 Ca -0.09 -0.19 -0.24 0.00 0.00 0.00 0.00 46.02 45.49 1p8x n GLY 457 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1p8x s ARG 458 N -1.18 1.52 0.33 1.61 0.52 0.41 -5.14 118.95 117.03 1p8x s ARG 458 Ca 0.00 -0.53 -0.18 0.00 -0.52 0.00 0.00 55.73 54.50 1p8x s ARG 458 Cb 0.00 -1.35 -0.09 0.00 0.52 0.00 0.00 34.95 34.02 1p8x s ARG 458 CO 0.00 0.22 0.80 -0.65 0.02 0.00 0.00 175.30 175.69 1p8x s GLN 459 N 0.04 4.14 0.31 3.54 -0.21 -1.26 -1.46 119.66 124.76 1p8x s GLN 459 Ca -0.03 0.86 -0.17 0.00 0.02 0.00 0.00 55.36 56.04 1p8x s GLN 459 Cb -0.10 -2.47 0.03 0.00 1.00 0.00 0.00 33.01 31.46 1p8x s GLN 459 CO 0.01 0.16 0.70 0.20 -2.12 0.00 0.00 175.29 174.25 1p8x s GLY 460 N -2.10 0.21 0.02 3.09 0.00 0.05 -4.98 107.32 103.62 1p8x s GLY 460 Ca 0.54 -0.58 0.00 0.00 0.00 0.00 0.00 44.72 44.68 1p8x s GLY 460 CO 0.17 -0.27 -0.03 1.20 0.00 0.00 0.00 173.10 174.17 1p8x s GLN 461 N -3.36 0.34 -0.01 2.90 -0.21 -1.26 -0.80 119.66 117.27 1p8x s GLN 461 Ca 0.15 -0.65 0.02 0.00 0.02 0.00 0.00 55.36 54.90 1p8x s GLN 461 Cb -0.05 0.08 -0.00 0.00 1.00 0.00 0.00 33.01 34.04 1p8x s GLN 461 CO 0.09 -0.05 -0.07 0.42 -2.12 0.00 0.00 175.29 173.57 1p8x s ILE 462 N -1.58 0.61 -0.27 1.08 1.01 -0.24 -1.24 121.20 120.56 1p8x s ILE 462 Ca -0.14 -0.30 -0.05 0.00 0.00 0.00 0.00 60.65 60.16 1p8x s ILE 462 Cb -0.09 -0.54 0.01 0.00 0.01 0.00 0.00 42.46 41.85 1p8x s ILE 462 CO -0.01 0.19 0.03 -0.63 0.00 0.00 0.00 174.94 174.52 1p8x s ILE 463 N 0.04 3.68 -0.21 2.92 1.01 0.70 -0.73 121.20 128.60 1p8x s ILE 463 Ca -0.00 -0.71 -0.12 0.00 0.00 0.00 0.00 60.65 59.82 1p8x s ILE 463 Cb -0.06 -2.85 -0.05 0.00 0.01 0.00 0.00 42.46 39.51 1p8x s ILE 463 CO -0.00 0.16 0.21 -0.31 0.00 0.00 0.00 174.94 175.00 1p8x s TYR 464 N 1.47 3.37 -0.30 3.97 2.02 0.20 -1.62 117.35 126.44 1p8x s TYR 464 Ca 0.03 0.36 -0.10 0.00 -0.37 0.00 0.00 57.07 56.99 1p8x s TYR 464 Cb -0.17 -2.29 -0.02 0.00 -0.40 0.00 0.00 41.96 39.09 1p8x s TYR 464 CO 0.00 0.13 0.16 -0.80 -1.57 0.00 0.00 175.55 173.47 1p8x s ASN 465 N 0.80 5.62 -0.18 2.29 -0.87 -0.18 -0.39 114.94 122.04 1p8x s ASN 465 Ca 0.11 -0.41 -0.04 0.00 -1.57 0.00 0.00 52.86 50.94 1p8x s ASN 465 Cb -0.13 -2.02 -0.02 0.00 -0.02 0.00 0.00 41.25 39.05 1p8x s ASN 465 CO 0.03 -0.16 -0.03 0.86 -2.57 0.00 0.00 177.10 175.23 1p8x s TRP 466 N 1.65 3.01 -0.27 2.20 -0.00 0.23 -0.41 118.94 125.35 1p8x s TRP 466 Ca 0.05 -0.45 -0.05 0.00 -0.00 0.00 0.00 56.10 55.66 1p8x s TRP 466 Cb -0.17 -2.02 0.01 0.00 -0.00 0.00 0.00 33.47 31.29 1p8x s TRP 466 CO 0.07 -0.18 0.02 -1.14 -0.00 0.00 0.00 176.95 175.72 1p8x s GLN 467 N 0.75 3.07 0.77 5.86 0.74 -0.24 0.26 119.66 130.86 1p8x s GLN 467 Ca -0.01 -0.85 -0.13 0.00 0.05 0.00 0.00 55.36 54.42 1p8x s GLN 467 Cb -0.14 -3.22 0.06 0.00 1.10 0.00 0.00 33.01 30.81 1p8x s GLN 467 CO 0.02 -0.39 1.16 0.20 -0.55 0.00 0.00 175.29 175.73 1p8x s GLY 468 N 1.45 2.08 0.63 2.59 0.00 0.26 -1.35 107.32 112.99 1p8x s GLY 468 Ca 0.02 0.69 0.40 0.00 0.00 0.00 0.00 44.72 45.84 1p8x s GLY 468 CO -0.00 1.08 2.28 0.00 0.00 0.00 0.00 173.10 176.46 1p8x h ALA 469 N -0.72 1.08 -0.16 3.20 0.00 -1.73 -2.09 119.26 118.84 1p8x h ALA 469 Ca -0.46 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1p8x h ALA 469 Cb 1.27 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1p8x h ALA 469 CO 0.49 0.01 0.00 1.04 0.00 0.00 0.00 179.25 180.79 1p8x n GLN 470 N -3.20 2.64 -2.22 0.00 3.00 0.27 -5.02 117.38 112.85 1p8x n GLN 470 Ca -0.02 -2.14 -0.41 0.00 -0.01 0.00 0.00 57.00 54.42 1p8x n GLN 470 Cb 0.12 -1.34 -0.03 0.00 0.00 0.00 0.00 30.24 28.99 1p8x n GLN 470 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 1p8x s SER 471 N -1.52 6.92 0.63 1.08 0.15 -0.79 -4.68 113.70 115.49 1p8x s SER 471 Ca 0.22 2.56 -0.10 0.00 0.70 0.00 0.00 55.95 59.32 1p8x s SER 471 Cb 0.16 -2.64 -0.02 0.00 -1.71 0.00 0.00 66.02 61.81 1p8x s SER 471 CO 0.07 -0.42 1.02 0.42 1.20 0.00 0.00 173.24 175.53 1p8x s THR 472 N -1.08 4.21 0.43 6.45 -4.23 -1.26 -4.91 115.64 115.26 1p8x s THR 472 Ca 0.48 0.60 0.09 0.00 -1.18 0.00 0.00 61.69 61.68 1p8x s THR 472 Cb -0.37 -3.70 0.27 0.00 1.34 0.00 0.00 72.50 70.04 1p8x s THR 472 CO 0.49 -0.88 2.07 1.56 -0.54 0.00 0.00 174.62 177.32 1p8x h GLN 473 N -0.37 0.45 -0.06 3.99 7.50 -1.99 -1.42 115.11 123.22 1p8x h GLN 473 Ca -0.45 -0.03 -0.11 0.00 0.50 0.00 0.00 58.65 58.57 1p8x h GLN 473 Cb 1.22 -0.10 -0.01 0.00 0.05 0.00 0.00 27.48 28.63 1p8x h GLN 473 CO 0.62 0.30 -0.46 0.38 -1.50 0.00 0.00 178.83 178.18 1p8x h ASP 474 N 0.47 0.14 -0.29 1.46 3.04 -1.99 -0.94 116.42 118.31 1p8x h ASP 474 Ca 0.13 -0.06 -0.16 0.00 -3.24 0.00 0.00 57.03 53.70 1p8x h ASP 474 Cb -0.05 -0.04 -0.00 0.00 -1.04 0.00 0.00 39.33 38.20 1p8x h ASP 474 CO -0.03 0.58 -0.43 -0.33 -2.04 0.00 0.00 179.24 176.99 1p8x h GLU 475 N 0.11 0.81 -0.66 4.15 5.08 -1.65 -0.86 114.58 121.55 1p8x h GLU 475 Ca 0.01 -0.48 0.01 0.00 -1.00 0.00 0.00 59.36 57.90 1p8x h GLU 475 Cb 0.85 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.11 1p8x h GLU 475 CO 0.07 1.11 0.43 0.28 -1.00 0.00 0.00 179.01 179.90 1p8x h VAL 476 N 0.57 1.15 -0.51 3.13 2.07 -1.05 0.34 116.25 121.95 1p8x h VAL 476 Ca 0.03 -0.30 -0.08 0.00 0.82 0.00 0.00 66.70 67.17 1p8x h VAL 476 Cb 1.03 0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 1p8x h VAL 476 CO 0.10 0.16 0.01 0.00 0.02 0.00 0.00 177.57 177.86 1p8x h ALA 477 N 1.25 1.05 -0.68 1.67 0.00 -1.08 -2.18 119.26 119.30 1p8x h ALA 477 Ca 0.25 -0.27 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 1p8x h ALA 477 Cb -0.08 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.48 1p8x h ALA 477 CO -0.06 0.59 0.12 0.00 0.00 0.00 0.00 179.25 179.90 1p8x h ALA 478 N 1.21 0.93 -0.39 0.00 0.00 -0.28 -2.75 119.26 117.97 1p8x h ALA 478 Ca 0.15 -0.27 -0.08 0.00 0.00 0.00 0.00 54.91 54.72 1p8x h ALA 478 Cb 0.46 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1p8x h ALA 478 CO 0.02 0.67 -0.07 0.66 0.00 0.00 0.00 179.25 180.53 1p8x h SER 479 N 1.05 0.64 -0.35 0.00 4.64 -0.59 -0.60 113.55 118.34 1p8x h SER 479 Ca 0.21 -0.17 0.04 0.00 -0.47 0.00 0.00 61.79 61.41 1p8x h SER 479 Cb 0.43 -0.17 -0.04 0.00 -0.31 0.00 0.00 62.40 62.31 1p8x h SER 479 CO 0.01 0.76 0.11 0.00 -0.87 0.00 0.00 176.83 176.84 1p8x h ALA 480 N 1.31 0.40 -0.25 5.18 0.00 -1.11 0.43 119.26 125.21 1p8x h ALA 480 Ca 0.11 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 1p8x h ALA 480 Cb 0.49 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1p8x h ALA 480 CO 0.03 -0.29 0.09 0.82 0.00 0.00 0.00 179.25 179.90 1p8x h ILE 481 N 0.25 1.18 -0.77 0.00 2.04 -1.26 -2.06 117.51 116.89 1p8x h ILE 481 Ca 0.16 -0.56 0.01 0.00 1.00 0.00 0.00 64.86 65.47 1p8x h ILE 481 Cb 0.14 1.08 -0.04 0.00 -0.74 0.00 0.00 36.82 37.26 1p8x h ILE 481 CO -0.17 0.18 0.51 -0.07 0.00 0.00 0.00 178.15 178.60 1p8x h LEU 482 N 0.25 0.89 -0.88 1.44 3.38 -0.53 -1.00 115.31 118.86 1p8x h LEU 482 Ca 0.08 -0.03 -0.09 0.00 0.09 0.00 0.00 57.88 57.93 1p8x h LEU 482 Cb 0.20 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 1p8x h LEU 482 CO -0.01 0.65 -0.19 0.74 0.09 0.00 0.00 178.44 179.72 1p8x h THR 483 N 1.05 1.26 -0.43 0.22 2.02 -0.06 -0.74 112.91 116.23 1p8x h THR 483 Ca 0.28 -1.22 -0.11 0.00 0.77 0.00 0.00 66.41 66.13 1p8x h THR 483 Cb -0.11 1.21 -0.02 0.00 -1.74 0.00 0.00 68.15 67.49 1p8x h THR 483 CO -0.06 0.40 -0.19 0.00 0.37 0.00 0.00 175.52 176.04 1p8x h ALA 484 N 1.25 0.87 -0.21 6.16 0.00 -0.89 -0.34 119.26 126.08 1p8x h ALA 484 Ca 0.09 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 1p8x h ALA 484 Cb 0.63 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1p8x h ALA 484 CO 0.04 0.64 0.07 1.96 0.00 0.00 0.00 179.25 181.96 1p8x h GLN 485 N 0.73 0.33 -0.44 0.00 4.20 -0.87 -1.02 115.11 118.04 1p8x h GLN 485 Ca 0.11 -0.07 0.02 0.00 0.06 0.00 0.00 58.65 58.77 1p8x h GLN 485 Cb 0.71 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.41 1p8x h GLN 485 CO 0.05 0.42 0.25 1.25 -0.67 0.00 0.00 178.83 180.14 1p8x h LEU 486 N 0.18 0.40 -0.44 1.46 5.85 -0.96 0.18 115.31 121.98 1p8x h LEU 486 Ca 0.07 0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.83 1p8x h LEU 486 Cb 0.22 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.15 1p8x h LEU 486 CO -0.00 0.29 0.24 -0.78 -0.34 0.00 0.00 178.44 177.84 1p8x h ASP 487 N 0.51 0.36 -0.58 1.25 1.82 -0.89 0.67 116.42 119.56 1p8x h ASP 487 Ca 0.18 0.01 -0.01 0.00 -0.39 0.00 0.00 57.03 56.82 1p8x h ASP 487 Cb 0.03 -0.06 -0.03 0.00 0.68 0.00 0.00 39.33 39.95 1p8x h ASP 487 CO -0.09 0.26 0.31 -0.33 -1.61 0.00 0.00 179.24 177.78 1p8x h GLU 488 N 0.48 0.82 -0.93 0.28 5.08 -0.70 -0.14 114.58 119.46 1p8x h GLU 488 Ca 0.18 -0.10 0.08 0.00 -1.00 0.00 0.00 59.36 58.52 1p8x h GLU 488 Cb 0.06 -0.16 -0.07 0.00 0.50 0.00 0.00 28.75 29.08 1p8x h GLU 488 CO -0.11 0.64 0.58 1.49 -1.00 0.00 0.00 179.01 180.62 1p8x h GLU 489 N 0.79 1.00 -0.12 2.33 4.81 0.34 -0.88 114.58 122.84 1p8x h GLU 489 Ca 0.20 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.37 1p8x h GLU 489 Cb 0.07 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 29.22 1p8x h GLU 489 CO -0.03 0.66 0.00 1.28 -0.73 0.00 0.00 179.01 180.19 1p8x n LEU 490 N -4.59 0.67 -0.50 1.64 4.77 0.13 -4.90 117.00 114.22 1p8x n LEU 490 Ca 0.15 -0.33 -0.06 0.00 -0.03 0.00 0.00 56.01 55.74 1p8x n LEU 490 Cb 0.23 -0.08 -0.02 0.00 -2.33 0.00 0.00 43.42 41.22 1p8x n LEU 490 CO 0.30 0.17 -0.06 0.61 -1.33 0.00 0.00 177.39 177.08 1p8x n GLY 491 N 0.72 0.60 2.42 -0.72 0.00 -0.33 -3.54 105.19 104.33 1p8x n GLY 491 Ca 0.05 -0.76 -0.16 0.00 0.00 0.00 0.00 46.02 45.15 1p8x n GLY 491 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p8x n GLY 492 N -1.89 0.94 0.09 -0.02 0.00 -0.11 -4.91 105.19 99.28 1p8x n GLY 492 Ca -0.06 -0.23 -0.03 0.00 0.00 0.00 0.00 46.02 45.71 1p8x n GLY 492 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1p8x n THR 493 N -3.06 1.22 -1.99 2.61 -2.24 -1.23 -4.98 114.28 104.61 1p8x n THR 493 Ca -0.17 -0.73 -0.33 0.00 -2.27 0.00 0.00 64.05 60.55 1p8x n THR 493 Cb 0.58 -0.70 0.02 0.00 -2.10 0.00 0.00 70.33 68.12 1p8x n THR 493 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1p8x s PRO 494 N -2.83 3.16 0.12 -0.78 0.04 -1.26 -4.77 135.00 128.68 1p8x s PRO 494 Ca -0.05 1.32 -0.26 0.00 0.04 0.00 0.00 61.00 62.05 1p8x s PRO 494 Cb 0.08 -2.00 -0.07 0.00 0.04 0.00 0.00 34.50 32.55 1p8x s PRO 494 CO 0.82 -0.95 0.81 0.08 0.04 0.00 0.00 177.00 177.80 1p8x s VAL 495 N -2.32 4.48 -0.08 -0.36 1.01 -0.37 -4.90 120.40 117.86 1p8x s VAL 495 Ca 0.66 1.75 -0.01 0.00 0.00 0.00 0.00 61.98 64.38 1p8x s VAL 495 Cb -0.18 -4.17 -0.03 0.00 0.00 0.00 0.00 36.38 32.00 1p8x s VAL 495 CO 0.37 0.44 -0.02 -1.10 0.00 0.00 0.00 175.10 174.79 1p8x s GLN 496 N -0.65 2.92 -0.16 2.72 -1.52 -1.26 -0.21 119.66 121.50 1p8x s GLN 496 Ca 0.38 -0.45 -0.06 0.00 -1.95 0.00 0.00 55.36 53.28 1p8x s GLN 496 Cb -0.22 -2.73 0.07 0.00 -0.22 0.00 0.00 33.01 29.91 1p8x s GLN 496 CO 0.26 0.68 0.33 0.45 -0.25 0.00 0.00 175.29 176.76 1p8x s SER 497 N -0.84 0.03 -0.20 5.90 0.15 -0.64 -4.96 113.70 113.14 1p8x s SER 497 Ca 0.13 0.76 -0.10 0.00 0.70 0.00 0.00 55.95 57.44 1p8x s SER 497 Cb -0.11 0.92 -0.05 0.00 -1.71 0.00 0.00 66.02 65.07 1p8x s SER 497 CO 0.02 -0.23 0.12 -0.60 1.20 0.00 0.00 173.24 173.76 1p8x s ARG 498 N 2.33 4.16 -0.04 5.44 3.52 -1.26 -1.01 118.95 132.10 1p8x s ARG 498 Ca -0.01 -0.24 0.02 0.00 -0.13 0.00 0.00 55.73 55.36 1p8x s ARG 498 Cb -0.12 -3.40 0.01 0.00 -1.56 0.00 0.00 34.95 29.88 1p8x s ARG 498 CO -0.10 0.28 -0.06 0.08 -0.81 0.00 0.00 175.30 174.68 1p8x s VAL 499 N 0.41 0.62 0.13 7.11 1.01 0.45 -4.95 120.40 125.18 1p8x s VAL 499 Ca 0.07 -0.22 0.02 0.00 0.00 0.00 0.00 61.98 61.86 1p8x s VAL 499 Cb -0.11 -0.60 -0.04 0.00 0.00 0.00 0.00 36.38 35.63 1p8x s VAL 499 CO -0.01 0.22 0.25 0.68 0.00 0.00 0.00 175.10 176.24 1p8x s VAL 500 N 0.57 5.27 0.14 2.92 -7.23 -1.26 -1.08 120.40 119.73 1p8x s VAL 500 Ca -0.08 -0.64 -0.34 0.00 -1.81 0.00 0.00 61.98 59.10 1p8x s VAL 500 Cb -0.12 -3.68 -0.16 0.00 0.56 0.00 0.00 36.38 32.99 1p8x s VAL 500 CO 0.01 -0.03 1.24 1.67 -0.31 0.00 0.00 175.10 177.68 1p8x n GLN 501 N -0.31 1.17 0.00 4.82 7.27 -0.45 -1.39 117.38 128.48 1p8x n GLN 501 Ca -0.07 0.42 0.00 0.00 0.07 0.00 0.00 57.00 57.42 1p8x n GLN 501 Cb 0.53 -1.98 0.00 0.00 2.41 0.00 0.00 30.24 31.20 1p8x n GLN 501 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1p8x n GLY 502 N 2.24 1.61 0.70 1.69 0.00 -1.26 -4.87 105.19 105.30 1p8x n GLY 502 Ca 0.16 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.22 1p8x n GLY 502 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1p8x n LYS 503 N -2.00 1.64 -2.32 1.61 4.76 -0.49 -1.06 118.16 120.30 1p8x n LYS 503 Ca 0.00 -3.22 -0.41 0.00 -2.87 0.00 0.00 58.31 51.81 1p8x n LYS 503 Cb 0.00 -1.66 -0.03 0.00 -1.84 0.00 0.00 35.03 31.50 1p8x n LYS 503 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1p8x s GLU 504 N -3.21 4.49 0.72 1.97 8.01 -1.26 -4.73 118.70 124.69 1p8x s GLU 504 Ca 0.39 1.96 -0.11 0.00 0.01 0.00 0.00 54.97 57.22 1p8x s GLU 504 Cb 0.37 -3.18 0.03 0.00 -4.31 0.00 0.00 34.13 27.03 1p8x s GLU 504 CO -0.04 -0.06 1.07 -1.25 0.01 0.00 0.00 175.26 174.99 1p8x s PRO 505 N -0.85 2.66 0.30 0.39 0.04 -1.26 -4.87 135.00 131.41 1p8x s PRO 505 Ca 0.50 1.07 0.02 0.00 0.04 0.00 0.00 61.00 62.63 1p8x s PRO 505 Cb -0.35 -1.95 0.57 0.00 0.04 0.00 0.00 34.50 32.81 1p8x s PRO 505 CO 0.41 -1.32 1.88 0.00 0.04 0.00 0.00 177.00 178.02 1p8x h ALA 506 N -0.83 1.55 -0.79 8.56 0.00 -1.99 -2.15 119.26 123.61 1p8x h ALA 506 Ca -0.44 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 1p8x h ALA 506 Cb 1.22 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.74 1p8x h ALA 506 CO 0.54 0.27 0.45 1.25 0.00 0.00 0.00 179.25 181.77 1p8x h HIS 507 N 0.99 1.06 -0.57 0.00 -0.00 -1.91 -1.57 115.15 113.14 1p8x h HIS 507 Ca 0.43 -0.01 -0.05 0.00 -0.00 0.00 0.00 60.37 60.73 1p8x h HIS 507 Cb 0.34 -0.34 -0.02 0.00 -0.00 0.00 0.00 27.41 27.39 1p8x h HIS 507 CO -0.00 0.72 0.15 1.25 -0.00 0.00 0.00 177.93 180.05 1p8x h LEU 508 N 1.08 0.86 -2.04 0.26 5.85 -1.77 -2.35 115.31 117.20 1p8x h LEU 508 Ca 0.28 -0.23 -0.02 0.00 0.84 0.00 0.00 57.88 58.76 1p8x h LEU 508 Cb -0.01 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 40.80 1p8x h LEU 508 CO -0.05 0.86 -0.08 0.24 -0.34 0.00 0.00 178.44 179.07 1p8x h MET 509 N 0.82 0.00 0.00 1.25 2.86 -1.03 -2.19 114.93 116.64 1p8x h MET 509 Ca 0.18 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.82 1p8x h MET 509 Cb 0.33 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.99 1p8x h MET 509 CO -0.00 0.08 0.00 -1.13 1.06 0.00 0.00 176.91 176.92 1p8x n SER 510 N -4.01 0.49 0.25 1.22 3.41 -0.64 -3.83 113.62 110.51 1p8x n SER 510 Ca -0.03 0.56 0.17 0.00 -0.26 0.00 0.00 58.87 59.32 1p8x n SER 510 Cb 0.17 -0.69 0.88 0.00 -0.26 0.00 0.00 64.21 64.31 1p8x n SER 510 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1p8x h LEU 511 N 0.00 0.00 -3.94 1.04 4.07 -1.32 -3.18 115.31 111.98 1p8x h LEU 511 Ca 0.00 0.00 -0.56 0.00 0.08 0.00 0.00 57.88 57.40 1p8x h LEU 511 Cb 0.59 0.00 -0.29 0.00 1.08 0.00 0.00 40.66 42.04 1p8x h LEU 511 CO 0.00 0.00 0.63 0.49 -1.08 0.00 0.00 178.44 178.48 1p8x n PHE 512 N -2.73 2.98 -3.68 1.13 3.01 -1.25 -4.87 117.46 112.04 1p8x n PHE 512 Ca -0.02 -2.31 -0.27 0.00 1.01 0.00 0.00 57.45 55.86 1p8x n PHE 512 Cb 0.11 -1.09 0.03 0.00 -0.01 0.00 0.00 39.48 38.52 1p8x n PHE 512 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1p8x n GLY 513 N -1.04 -0.51 1.50 1.37 0.00 -1.20 -1.29 105.19 104.02 1p8x n GLY 513 Ca 0.59 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.79 1p8x n GLY 513 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p8x n GLY 514 N -1.67 2.16 3.81 -0.02 0.00 -1.26 -5.05 105.19 103.16 1p8x n GLY 514 Ca 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 1p8x n GLY 514 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1p8x s LYS 515 N -0.56 3.22 0.57 1.61 3.01 -0.41 -5.02 119.74 122.15 1p8x s LYS 515 Ca 0.00 1.11 -0.14 0.00 -1.01 0.00 0.00 55.97 55.92 1p8x s LYS 515 Cb 0.00 -2.02 -0.06 0.00 -1.01 0.00 0.00 37.83 34.74 1p8x s LYS 515 CO 0.00 -0.89 1.01 -1.25 0.51 0.00 0.00 175.35 174.73 1p8x s PRO 516 N -4.41 3.72 -0.09 -1.68 0.04 -1.26 -4.77 135.00 126.55 1p8x s PRO 516 Ca 0.61 0.91 -0.28 0.00 0.04 0.00 0.00 61.00 62.28 1p8x s PRO 516 Cb -0.15 -2.10 -0.02 0.00 0.04 0.00 0.00 34.50 32.27 1p8x s PRO 516 CO 0.43 -0.46 0.94 1.41 0.04 0.00 0.00 177.00 179.35 1p8x s MET 517 N -4.50 4.43 -0.17 4.56 1.75 -0.51 -4.84 119.30 120.02 1p8x s MET 517 Ca 0.58 1.28 -0.04 0.00 -1.25 0.00 0.00 55.69 56.26 1p8x s MET 517 Cb -0.11 -3.52 -0.03 0.00 2.84 0.00 0.00 34.83 34.01 1p8x s MET 517 CO 0.41 -0.23 -0.03 0.42 -0.65 0.00 0.00 175.02 174.94 1p8x s ILE 518 N 1.71 3.86 -0.24 10.11 1.01 -0.32 -1.05 121.20 136.29 1p8x s ILE 518 Ca 0.46 -0.36 0.02 0.00 0.00 0.00 0.00 60.65 60.77 1p8x s ILE 518 Cb -0.18 -2.71 0.06 0.00 0.01 0.00 0.00 42.46 39.63 1p8x s ILE 518 CO 0.19 0.48 -0.10 -0.63 0.00 0.00 0.00 174.94 174.88 1p8x s ILE 519 N 0.56 1.90 0.48 2.92 1.01 0.39 -0.13 121.20 128.34 1p8x s ILE 519 Ca -0.03 -1.40 -0.13 0.00 0.00 0.00 0.00 60.65 59.10 1p8x s ILE 519 Cb -0.14 -2.04 -0.06 0.00 0.01 0.00 0.00 42.46 40.22 1p8x s ILE 519 CO 0.03 0.00 0.89 -0.31 0.00 0.00 0.00 174.94 175.55 1p8x s TYR 520 N 1.24 3.49 0.60 3.97 4.12 0.82 -1.10 117.35 130.49 1p8x s TYR 520 Ca -0.06 1.23 -0.13 0.00 0.02 0.00 0.00 57.07 58.13 1p8x s TYR 520 Cb -0.19 -2.61 -0.04 0.00 -1.52 0.00 0.00 41.96 37.59 1p8x s TYR 520 CO -0.06 -0.30 1.02 0.15 0.02 0.00 0.00 175.55 176.38 1p8x s LYS 521 N -4.18 3.61 1.81 -0.62 1.02 -1.26 -0.69 119.74 119.43 1p8x s LYS 521 Ca 0.55 0.84 0.00 0.00 0.02 0.00 0.00 55.97 57.37 1p8x s LYS 521 Cb -0.10 -2.08 0.00 0.00 -0.52 0.00 0.00 37.83 35.12 1p8x s LYS 521 CO 0.35 -0.55 0.00 0.41 -0.92 0.00 0.00 175.35 174.64 1p8x n GLY 522 N -2.32 -1.30 0.00 -3.33 0.00 -1.26 -4.78 105.19 92.19 1p8x n GLY 522 Ca 0.06 -1.40 0.00 0.00 0.00 0.00 0.00 46.02 44.69 1p8x n GLY 522 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p8x n GLY 523 N 0.00 -0.00 3.28 -0.02 0.00 -1.26 -1.53 105.19 105.66 1p8x n GLY 523 Ca 0.00 -0.84 -0.15 0.00 0.00 0.00 0.00 46.02 45.02 1p8x n GLY 523 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1p8x s THR 524 N -3.72 0.90 0.09 2.61 -1.32 -1.26 -0.70 115.64 112.23 1p8x s THR 524 Ca 0.00 -2.01 -0.25 0.00 -1.21 0.00 0.00 61.69 58.22 1p8x s THR 524 Cb 0.00 -2.18 0.07 0.00 -1.51 0.00 0.00 72.50 68.88 1p8x s THR 524 CO 0.00 -0.45 0.60 -0.94 -2.21 0.00 0.00 174.62 171.62 1p8x s SER 525 N -3.23 -0.56 0.11 8.08 1.04 -1.10 -4.88 113.70 113.16 1p8x s SER 525 Ca 0.25 0.20 -0.30 0.00 0.48 0.00 0.00 55.95 56.58 1p8x s SER 525 Cb 0.05 0.56 -0.10 0.00 0.10 0.00 0.00 66.02 66.64 1p8x s SER 525 CO 0.06 -0.83 1.61 0.03 0.98 0.00 0.00 173.24 175.08 1p8x h ARG 526 N 2.40 -0.61 0.00 4.02 3.08 -1.97 0.21 114.38 121.51 1p8x h ARG 526 Ca -0.32 0.04 -0.08 0.00 0.07 0.00 0.00 59.98 59.69 1p8x h ARG 526 Cb 1.25 0.14 -0.01 0.00 0.08 0.00 0.00 29.97 31.42 1p8x h ARG 526 CO 0.39 -0.40 -0.39 0.93 -1.07 0.00 0.00 179.97 179.42 1p8x h GLU 527 N -0.63 0.00 -0.00 0.04 3.07 -2.06 -3.34 114.58 111.66 1p8x h GLU 527 Ca 0.02 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.88 1p8x h GLU 527 Cb 0.63 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.54 1p8x h GLU 527 CO -0.18 0.39 -0.05 0.41 -1.40 0.00 0.00 179.01 178.18 1p8x n GLY 528 N -0.33 0.19 7.00 -3.84 0.00 -1.18 -5.12 105.19 101.91 1p8x n GLY 528 Ca -0.02 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1p8x n GLY 528 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p8x n GLY 529 N 0.75 -0.67 3.68 -0.02 0.00 0.72 -4.74 105.19 104.90 1p8x n GLY 529 Ca 0.01 -1.10 -0.43 0.00 0.00 0.00 0.00 46.02 44.50 1p8x n GLY 529 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1p8x s GLN 530 N 0.00 4.30 0.69 1.61 2.00 -1.26 -2.69 119.66 124.31 1p8x s GLN 530 Ca 0.00 1.67 -0.13 0.00 -2.00 0.00 0.00 55.36 54.90 1p8x s GLN 530 Cb 0.00 -3.64 0.01 0.00 0.80 0.00 0.00 33.01 30.18 1p8x s GLN 530 CO 0.00 -0.56 1.09 0.95 -0.50 0.00 0.00 175.29 176.27 1p8x s THR 531 N 2.75 3.45 0.05 -0.34 -4.23 0.12 -5.00 115.64 112.43 1p8x s THR 531 Ca 0.55 0.59 -0.01 0.00 -1.18 0.00 0.00 61.69 61.64 1p8x s THR 531 Cb -0.23 -3.12 -0.04 0.00 1.34 0.00 0.00 72.50 70.44 1p8x s THR 531 CO 0.19 -0.50 0.21 0.00 -0.54 0.00 0.00 174.62 173.98 1p8x s ALA 532 N -2.62 3.99 0.48 3.99 0.00 -1.26 -4.80 121.76 121.54 1p8x s ALA 532 Ca 0.64 -0.81 -0.23 0.00 0.00 0.00 0.00 51.96 51.56 1p8x s ALA 532 Cb -0.18 -1.86 -0.07 0.00 0.00 0.00 0.00 23.12 21.01 1p8x s ALA 532 CO 0.47 0.80 1.30 -2.14 0.00 0.00 0.00 175.76 176.19 1p8x s PRO 533 N -2.37 3.56 0.63 0.00 0.02 -1.26 -5.00 135.00 130.58 1p8x s PRO 533 Ca 0.33 2.11 -0.14 0.00 0.02 0.00 0.00 61.00 63.32 1p8x s PRO 533 Cb -0.13 -2.46 -0.02 0.00 0.02 0.00 0.00 34.50 31.92 1p8x s PRO 533 CO 0.25 -0.82 1.06 0.00 -0.33 0.00 0.00 177.00 177.17 1p8x s ALA 534 N -1.35 2.70 0.29 -1.55 0.00 -1.26 -4.96 121.76 115.62 1p8x s ALA 534 Ca 0.65 0.32 0.05 0.00 0.00 0.00 0.00 51.96 52.98 1p8x s ALA 534 Cb -0.37 -3.22 0.43 0.00 0.00 0.00 0.00 23.12 19.96 1p8x s ALA 534 CO 0.45 -0.97 1.70 0.66 0.00 0.00 0.00 175.76 177.60 1p8x h SER 535 N 0.08 0.32 -3.30 0.00 4.64 -1.94 -3.41 113.55 109.94 1p8x h SER 535 Ca -0.46 -0.13 -0.67 0.00 -0.47 0.00 0.00 61.79 60.06 1p8x h SER 535 Cb 1.22 -0.09 -0.31 0.00 -0.31 0.00 0.00 62.40 62.91 1p8x h SER 535 CO 0.57 0.68 -0.84 -0.89 -0.87 0.00 0.00 176.83 175.48 1p8x s THR 536 N -4.22 2.38 0.04 2.95 2.01 -1.26 -3.45 115.64 114.09 1p8x s THR 536 Ca -0.05 -0.89 0.02 0.00 0.31 0.00 0.00 61.69 61.08 1p8x s THR 536 Cb 0.13 -1.96 -0.02 0.00 0.01 0.00 0.00 72.50 70.66 1p8x s THR 536 CO 0.78 0.54 -0.07 0.00 -0.69 0.00 0.00 174.62 175.18 1p8x s ARG 537 N 0.50 0.51 -0.03 4.92 1.70 -0.14 -4.79 118.95 121.63 1p8x s ARG 537 Ca -0.13 -0.74 0.04 0.00 -0.47 0.00 0.00 55.73 54.43 1p8x s ARG 537 Cb -0.17 -0.25 -0.01 0.00 -0.57 0.00 0.00 34.95 33.95 1p8x s ARG 537 CO 0.05 0.04 -0.15 -1.17 -1.08 0.00 0.00 175.30 172.99 1p8x s LEU 538 N -1.56 1.95 -0.05 -1.89 2.96 -1.25 -0.99 118.68 117.85 1p8x s LEU 538 Ca -0.11 -0.29 0.04 0.00 -0.22 0.00 0.00 54.13 53.55 1p8x s LEU 538 Cb -0.10 -0.83 0.00 0.00 0.50 0.00 0.00 46.19 45.76 1p8x s LEU 538 CO 0.00 0.16 -0.15 -0.36 -1.32 0.00 0.00 176.35 174.68 1p8x s PHE 539 N -0.14 1.55 -0.22 5.38 0.40 -0.40 -0.26 117.98 124.30 1p8x s PHE 539 Ca 0.01 -0.47 -0.14 0.00 -0.60 0.00 0.00 56.93 55.74 1p8x s PHE 539 Cb -0.08 -1.07 -0.04 0.00 0.51 0.00 0.00 43.02 42.34 1p8x s PHE 539 CO 0.01 -0.18 0.31 -1.14 0.70 0.00 0.00 175.22 174.92 1p8x s GLN 540 N 0.19 4.14 -0.26 0.44 0.74 0.07 -1.73 119.66 123.24 1p8x s GLN 540 Ca -0.06 0.03 -0.04 0.00 0.05 0.00 0.00 55.36 55.34 1p8x s GLN 540 Cb -0.12 -3.54 0.01 0.00 1.10 0.00 0.00 33.01 30.47 1p8x s GLN 540 CO 0.02 -0.00 -0.00 0.08 -0.55 0.00 0.00 175.29 174.84 1p8x s VAL 541 N 1.22 3.38 0.00 1.34 1.01 0.77 -0.63 120.40 127.48 1p8x s VAL 541 Ca 0.15 -0.80 0.03 0.00 0.00 0.00 0.00 61.98 61.36 1p8x s VAL 541 Cb -0.14 -2.69 -0.01 0.00 0.00 0.00 0.00 36.38 33.54 1p8x s VAL 541 CO 0.07 0.20 -0.09 -0.60 0.00 0.00 0.00 175.10 174.67 1p8x s ARG 542 N 1.42 0.72 0.06 2.72 3.52 0.08 -2.87 118.95 124.61 1p8x s ARG 542 Ca 0.02 -0.38 0.07 0.00 -0.13 0.00 0.00 55.73 55.31 1p8x s ARG 542 Cb -0.16 -0.69 -0.03 0.00 -1.56 0.00 0.00 34.95 32.51 1p8x s ARG 542 CO -0.02 0.19 -0.20 0.00 -0.81 0.00 0.00 175.30 174.46 1p8x s ALA 543 N -0.33 1.68 0.76 6.12 0.00 -1.26 -0.76 121.76 127.97 1p8x s ALA 543 Ca 0.02 -1.09 -0.05 0.00 0.00 0.00 0.00 51.96 50.85 1p8x s ALA 543 Cb -0.04 -0.28 0.13 0.00 0.00 0.00 0.00 23.12 22.93 1p8x s ALA 543 CO -0.00 0.35 1.05 0.54 0.00 0.00 0.00 175.76 177.71 1p8x s ASN 544 N -1.43 4.19 0.42 0.00 2.20 -0.72 -4.90 114.94 114.69 1p8x s ASN 544 Ca 0.06 -0.12 0.14 0.00 -0.94 0.00 0.00 52.86 52.00 1p8x s ASN 544 Cb -0.09 -0.25 1.01 0.00 -2.00 0.00 0.00 41.25 39.92 1p8x s ASN 544 CO 0.03 -1.98 1.92 0.28 -2.94 0.00 0.00 177.10 174.41 1p8x h SER 545 N -0.74 0.43 1.21 3.54 0.02 -1.98 0.11 113.55 116.15 1p8x h SER 545 Ca -0.39 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.58 1p8x h SER 545 Cb 1.27 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.74 1p8x h SER 545 CO 0.43 0.23 0.00 0.00 -1.14 0.00 0.00 176.83 176.35 1p8x n ALA 546 N -2.51 2.10 0.00 3.77 0.00 -1.26 -4.91 120.51 117.71 1p8x n ALA 546 Ca 0.14 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.58 1p8x n ALA 546 Cb 0.49 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.50 1p8x n ALA 546 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1p8x n GLY 547 N 0.94 0.51 3.73 0.00 0.00 0.39 -5.06 105.19 105.69 1p8x n GLY 547 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 1p8x n GLY 547 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p8x s ALA 548 N -2.00 3.62 -0.05 4.61 0.00 -1.26 -4.75 121.76 121.93 1p8x s ALA 548 Ca 0.00 1.20 0.06 0.00 0.00 0.00 0.00 51.96 53.22 1p8x s ALA 548 Cb 0.00 -3.54 -0.02 0.00 0.00 0.00 0.00 23.12 19.56 1p8x s ALA 548 CO 0.00 -0.65 -0.22 0.99 0.00 0.00 0.00 175.76 175.87 1p8x s THR 549 N 0.68 2.33 -0.05 0.00 2.01 -1.26 -1.76 115.64 117.59 1p8x s THR 549 Ca 0.63 -0.99 0.03 0.00 0.31 0.00 0.00 61.69 61.68 1p8x s THR 549 Cb -0.39 -1.85 0.00 0.00 0.01 0.00 0.00 72.50 70.27 1p8x s THR 549 CO 0.35 0.58 -0.15 -0.13 -0.69 0.00 0.00 174.62 174.58 1p8x s ARG 550 N -0.43 1.66 -0.34 4.92 0.52 0.06 -1.42 118.95 123.92 1p8x s ARG 550 Ca 0.05 -0.51 -0.04 0.00 -0.52 0.00 0.00 55.73 54.71 1p8x s ARG 550 Cb -0.12 -1.42 0.06 0.00 0.52 0.00 0.00 34.95 33.99 1p8x s ARG 550 CO 0.01 0.16 0.08 0.00 0.02 0.00 0.00 175.30 175.57 1p8x s ALA 551 N 0.23 2.96 -0.21 2.13 0.00 -0.21 -0.74 121.76 125.92 1p8x s ALA 551 Ca -0.07 -1.92 -0.03 0.00 0.00 0.00 0.00 51.96 49.94 1p8x s ALA 551 Cb -0.12 -2.14 -0.01 0.00 0.00 0.00 0.00 23.12 20.85 1p8x s ALA 551 CO 0.02 -1.40 -0.06 0.08 0.00 0.00 0.00 175.76 174.41 1p8x s VAL 552 N 1.28 3.27 0.24 0.00 1.01 0.20 -0.46 120.40 125.94 1p8x s VAL 552 Ca -0.01 -0.53 -0.30 0.00 0.00 0.00 0.00 61.98 61.14 1p8x s VAL 552 Cb -0.20 -2.48 -0.09 0.00 0.00 0.00 0.00 36.38 33.60 1p8x s VAL 552 CO -0.00 0.44 1.33 -0.70 0.00 0.00 0.00 175.10 176.16 1p8x s GLU 553 N 1.40 4.36 0.38 2.72 2.12 -0.26 -0.75 118.70 128.67 1p8x s GLU 553 Ca 0.05 2.13 0.06 0.00 0.36 0.00 0.00 54.97 57.56 1p8x s GLU 553 Cb -0.14 -3.15 -0.02 0.00 0.26 0.00 0.00 34.13 31.07 1p8x s GLU 553 CO -0.04 -0.26 0.21 0.14 -0.54 0.00 0.00 175.26 174.77 1p8x s VAL 554 N -0.17 0.27 0.30 3.70 -7.23 0.64 -4.66 120.40 113.25 1p8x s VAL 554 Ca 0.56 -2.00 -0.29 0.00 -1.81 0.00 0.00 61.98 58.43 1p8x s VAL 554 Cb -0.38 -2.39 -0.10 0.00 0.56 0.00 0.00 36.38 34.07 1p8x s VAL 554 CO 0.42 0.00 1.29 -0.76 -0.31 0.00 0.00 175.10 175.74 1p8x s LEU 555 N -3.51 4.44 -1.39 1.32 1.02 -1.26 -3.87 118.68 115.43 1p8x s LEU 555 Ca 0.31 2.61 -0.13 0.00 0.02 0.00 0.00 54.13 56.94 1p8x s LEU 555 Cb 0.02 -3.64 0.08 0.00 0.02 0.00 0.00 46.19 42.67 1p8x s LEU 555 CO 0.21 -0.50 2.05 -0.81 0.02 0.00 0.00 176.35 177.32 1p8x n PRO 556 N 1.16 3.10 -4.20 1.29 -0.04 -1.26 -4.74 135.00 130.31 1p8x n PRO 556 Ca 0.01 -2.96 -0.18 0.00 -0.04 0.00 0.00 63.50 60.34 1p8x n PRO 556 Cb 0.42 -3.22 -0.12 0.00 -0.04 0.00 0.00 33.50 30.54 1p8x n PRO 556 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1p8x s LYS 557 N 2.59 0.80 0.30 0.54 1.02 -1.26 -4.65 119.74 119.07 1p8x s LYS 557 Ca 0.46 -0.86 0.05 0.00 0.02 0.00 0.00 55.97 55.63 1p8x s LYS 557 Cb 0.11 -0.77 0.68 0.00 -0.52 0.00 0.00 37.83 37.33 1p8x s LYS 557 CO -0.04 0.18 1.79 0.00 -0.92 0.00 0.00 175.35 176.36 1p8x h ALA 558 N 4.52 1.63 0.00 5.17 0.00 -1.77 -0.31 119.26 128.50 1p8x h ALA 558 Ca -0.39 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1p8x h ALA 558 Cb 1.19 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1p8x h ALA 558 CO 0.41 0.03 0.03 0.78 0.00 0.00 0.00 179.25 180.51 1p8x h GLY 559 N 0.84 0.00 2.00 0.00 0.00 -1.83 -2.16 103.07 101.92 1p8x h GLY 559 Ca 0.56 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.89 1p8x h GLY 559 CO -0.35 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.19 1p8x h ALA 560 N 1.93 1.00 -2.56 3.60 0.00 -1.34 -3.36 119.26 118.53 1p8x h ALA 560 Ca 0.00 0.00 -0.51 0.00 0.00 0.00 0.00 54.91 54.40 1p8x h ALA 560 Cb 0.06 0.00 0.11 0.00 0.00 0.00 0.00 17.79 17.95 1p8x h ALA 560 CO 0.00 0.00 0.40 -0.51 0.00 0.00 0.00 179.25 179.14 1p8x s LEU 561 N -5.25 3.47 -0.05 0.00 1.43 -0.81 -4.84 118.68 112.62 1p8x s LEU 561 Ca 0.08 2.14 -0.04 0.00 -1.03 0.00 0.00 54.13 55.27 1p8x s LEU 561 Cb 0.09 -4.57 0.02 0.00 0.03 0.00 0.00 46.19 41.76 1p8x s LEU 561 CO 0.60 -1.66 0.14 0.54 0.23 0.00 0.00 176.35 176.20 1p8x s ASN 562 N -2.23 -0.14 0.53 2.29 2.20 -1.26 -0.71 114.94 115.63 1p8x s ASN 562 Ca 0.70 0.28 0.36 0.00 -0.94 0.00 0.00 52.86 53.26 1p8x s ASN 562 Cb -0.24 0.26 1.90 0.00 -2.00 0.00 0.00 41.25 41.18 1p8x s ASN 562 CO 0.38 -0.07 2.09 0.28 -2.94 0.00 0.00 177.10 176.84 1p8x h SER 563 N 6.22 0.00 0.94 3.54 0.02 -1.61 -2.86 113.55 119.80 1p8x h SER 563 Ca -0.29 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.66 1p8x h SER 563 Cb 1.19 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.73 1p8x h SER 563 CO 0.42 0.00 -0.25 -3.20 -1.14 0.00 0.00 176.83 172.67 1p8x n ASN 564 N -2.77 0.43 -4.55 3.07 2.85 -1.10 -0.81 115.26 112.37 1p8x n ASN 564 Ca -0.02 0.25 -0.31 0.00 -0.11 0.00 0.00 54.58 54.39 1p8x n ASN 564 Cb 0.07 -0.24 -0.08 0.00 1.24 0.00 0.00 39.78 40.77 1p8x n ASN 564 CO 0.00 0.00 0.00 -1.81 -2.11 0.00 0.00 177.26 173.34 1p8x s ASP 565 N -3.54 3.70 0.08 1.20 1.01 -1.08 -2.65 116.67 115.39 1p8x s ASP 565 Ca 0.11 -1.65 0.03 0.00 0.71 0.00 0.00 52.55 51.75 1p8x s ASP 565 Cb 0.16 0.48 -0.04 0.00 1.01 0.00 0.00 42.92 44.54 1p8x s ASP 565 CO 0.62 -0.86 0.08 0.00 0.21 0.00 0.00 175.17 175.22 1p8x s ALA 566 N -2.98 3.56 0.06 5.23 0.00 -1.14 -0.91 121.76 125.60 1p8x s ALA 566 Ca 0.12 -1.02 0.05 0.00 0.00 0.00 0.00 51.96 51.11 1p8x s ALA 566 Cb 0.02 -1.43 -0.03 0.00 0.00 0.00 0.00 23.12 21.68 1p8x s ALA 566 CO 0.07 0.74 -0.13 -0.06 0.00 0.00 0.00 175.76 176.39 1p8x s PHE 567 N -1.40 1.11 -0.15 0.00 0.08 0.12 -0.17 117.98 117.59 1p8x s PHE 567 Ca 0.29 -0.45 0.02 0.00 0.12 0.00 0.00 56.93 56.91 1p8x s PHE 567 Cb -0.12 -0.64 0.00 0.00 -0.57 0.00 0.00 43.02 41.70 1p8x s PHE 567 CO 0.22 0.03 -0.19 0.08 -0.10 0.00 0.00 175.22 175.26 1p8x s VAL 568 N -1.21 2.32 -0.16 -0.44 1.01 -0.70 -0.16 120.40 121.05 1p8x s VAL 568 Ca -0.03 -0.89 0.02 0.00 0.00 0.00 0.00 61.98 61.08 1p8x s VAL 568 Cb -0.10 -1.95 0.01 0.00 0.00 0.00 0.00 36.38 34.35 1p8x s VAL 568 CO 0.02 0.53 -0.21 -0.22 0.00 0.00 0.00 175.10 175.23 1p8x s LEU 569 N 0.81 2.15 -0.09 3.92 0.20 -0.01 -1.27 118.68 124.39 1p8x s LEU 569 Ca -0.06 -0.61 0.04 0.00 0.69 0.00 0.00 54.13 54.18 1p8x s LEU 569 Cb -0.15 -1.47 0.00 0.00 -0.43 0.00 0.00 46.19 44.14 1p8x s LEU 569 CO -0.01 0.05 -0.21 -0.75 -0.29 0.00 0.00 176.35 175.14 1p8x s LYS 570 N 0.99 2.70 0.38 1.98 2.20 -0.16 -0.70 119.74 127.13 1p8x s LYS 570 Ca -0.03 -0.77 0.04 0.00 -0.36 0.00 0.00 55.97 54.85 1p8x s LYS 570 Cb -0.15 -2.08 -0.05 0.00 -1.51 0.00 0.00 37.83 34.04 1p8x s LYS 570 CO -0.06 0.16 0.06 0.95 -0.36 0.00 0.00 175.35 176.10 1p8x s THR 571 N 0.38 1.16 0.62 3.43 -4.23 0.98 -0.96 115.64 117.03 1p8x s THR 571 Ca -0.17 -2.00 0.36 0.00 -1.18 0.00 0.00 61.69 58.70 1p8x s THR 571 Cb -0.17 -2.65 0.39 0.00 1.34 0.00 0.00 72.50 71.42 1p8x s THR 571 CO 0.07 0.00 2.31 -0.65 -0.54 0.00 0.00 174.62 175.81 1p8x h PRO 572 N 1.90 0.00 -0.00 3.99 0.11 -1.98 -3.12 132.00 132.90 1p8x h PRO 572 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1p8x h PRO 572 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1p8x h PRO 572 CO 0.69 0.00 -0.16 -1.13 -0.21 0.00 0.00 178.00 177.19 1p8x n SER 573 N -3.53 0.52 -3.79 -2.05 3.41 -1.26 -5.08 113.62 101.84 1p8x n SER 573 Ca -0.03 -0.76 -0.08 0.00 -0.26 0.00 0.00 58.87 57.74 1p8x n SER 573 Cb 0.08 0.75 -0.02 0.00 -0.26 0.00 0.00 64.21 64.75 1p8x n SER 573 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1p8x s ALA 574 N -1.17 -1.18 0.00 7.33 0.00 -1.18 -5.17 121.76 120.39 1p8x s ALA 574 Ca 0.03 -0.22 -0.01 0.00 0.00 0.00 0.00 51.96 51.77 1p8x s ALA 574 Cb 0.04 0.87 -0.00 0.00 0.00 0.00 0.00 23.12 24.03 1p8x s ALA 574 CO 0.15 -0.96 0.01 0.00 0.00 0.00 0.00 175.76 174.96 1p8x s ALA 575 N -3.90 -0.01 0.02 0.00 0.00 -1.26 -0.01 121.76 116.59 1p8x s ALA 575 Ca 0.10 -0.12 0.02 0.00 0.00 0.00 0.00 51.96 51.96 1p8x s ALA 575 Cb -0.04 0.02 -0.01 0.00 0.00 0.00 0.00 23.12 23.08 1p8x s ALA 575 CO 0.03 -0.06 -0.07 0.71 0.00 0.00 0.00 175.76 176.37 1p8x s TYR 576 N -0.42 0.64 -0.37 0.00 2.02 0.12 -0.78 117.35 118.55 1p8x s TYR 576 Ca -0.05 -0.26 0.00 0.00 -0.37 0.00 0.00 57.07 56.40 1p8x s TYR 576 Cb -0.03 -0.39 0.10 0.00 -0.40 0.00 0.00 41.96 41.24 1p8x s TYR 576 CO -0.00 -0.03 0.13 -1.17 -1.57 0.00 0.00 175.55 172.91 1p8x s LEU 577 N -0.71 5.01 -0.16 -1.29 0.20 -0.86 -0.83 118.68 120.03 1p8x s LEU 577 Ca -0.02 -2.08 -0.17 0.00 0.69 0.00 0.00 54.13 52.54 1p8x s LEU 577 Cb -0.05 -1.73 -0.04 0.00 -0.43 0.00 0.00 46.19 43.93 1p8x s LEU 577 CO 0.00 -0.46 0.46 0.86 -0.29 0.00 0.00 176.35 176.92 1p8x s TRP 578 N 1.03 3.45 -0.32 5.38 -0.00 0.77 -0.76 118.94 128.49 1p8x s TRP 578 Ca 0.09 0.79 -0.05 0.00 -0.00 0.00 0.00 56.10 56.93 1p8x s TRP 578 Cb -0.21 -2.56 0.04 0.00 -0.00 0.00 0.00 33.47 30.74 1p8x s TRP 578 CO -0.06 0.07 0.07 0.08 -0.00 0.00 0.00 176.95 177.11 1p8x s VAL 579 N 0.99 3.58 0.71 5.86 1.01 0.32 0.15 120.40 133.01 1p8x s VAL 579 Ca 0.23 -1.12 -0.15 0.00 0.00 0.00 0.00 61.98 60.95 1p8x s VAL 579 Cb -0.15 -3.00 0.03 0.00 0.00 0.00 0.00 36.38 33.26 1p8x s VAL 579 CO 0.09 -0.10 1.16 -0.83 0.00 0.00 0.00 175.10 175.42 1p8x s GLY 580 N 1.38 2.21 0.47 4.51 0.00 -0.09 -1.11 107.32 114.70 1p8x s GLY 580 Ca -0.02 0.70 0.14 0.00 0.00 0.00 0.00 44.72 45.54 1p8x s GLY 580 CO 0.01 1.08 2.06 -0.84 0.00 0.00 0.00 173.10 175.42 1p8x h THR 581 N -0.23 0.98 -0.25 0.90 2.02 -1.72 -1.46 112.91 113.15 1p8x h THR 581 Ca -0.47 -0.09 0.00 0.00 0.77 0.00 0.00 66.41 66.62 1p8x h THR 581 Cb 1.27 0.68 0.00 0.00 -1.74 0.00 0.00 68.15 68.36 1p8x h THR 581 CO 0.51 0.05 0.00 0.61 0.37 0.00 0.00 175.52 177.06 1p8x n GLY 582 N -1.53 1.07 3.77 2.16 0.00 0.01 -4.39 105.19 106.27 1p8x n GLY 582 Ca 0.03 -0.61 -0.39 0.00 0.00 0.00 0.00 46.02 45.05 1p8x n GLY 582 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1p8x s ALA 583 N -1.68 3.13 0.52 4.61 0.00 -0.55 -4.33 121.76 123.45 1p8x s ALA 583 Ca 0.35 1.16 0.02 0.00 0.00 0.00 0.00 51.96 53.50 1p8x s ALA 583 Cb 0.21 -3.47 0.03 0.00 0.00 0.00 0.00 23.12 19.88 1p8x s ALA 583 CO 0.30 -0.84 0.73 -1.54 0.00 0.00 0.00 175.76 174.41 1p8x s SER 584 N -0.92 5.40 0.37 0.00 1.04 -1.26 -4.96 113.70 113.36 1p8x s SER 584 Ca 0.60 -0.03 0.12 0.00 0.48 0.00 0.00 55.95 57.12 1p8x s SER 584 Cb -0.36 -0.93 0.70 0.00 0.10 0.00 0.00 66.02 65.54 1p8x s SER 584 CO 0.45 -1.03 1.82 -0.33 0.98 0.00 0.00 173.24 175.13 1p8x h GLU 585 N 0.20 0.03 -0.59 4.02 4.39 -1.99 -1.60 114.58 119.04 1p8x h GLU 585 Ca -0.42 -0.01 -0.04 0.00 0.34 0.00 0.00 59.36 59.22 1p8x h GLU 585 Cb 1.29 -0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.91 1p8x h GLU 585 CO 0.52 0.39 0.20 0.00 -1.16 0.00 0.00 179.01 178.96 1p8x h ALA 586 N 1.61 1.24 -0.26 3.43 0.00 -1.96 0.15 119.26 123.48 1p8x h ALA 586 Ca 0.00 -0.18 -0.19 0.00 0.00 0.00 0.00 54.91 54.55 1p8x h ALA 586 Cb 0.66 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1p8x h ALA 586 CO 0.05 0.54 -0.57 0.93 0.00 0.00 0.00 179.25 180.20 1p8x h GLU 587 N 0.86 0.82 -0.78 0.00 5.08 -1.69 0.46 114.58 119.33 1p8x h GLU 587 Ca 0.20 -0.53 -0.03 0.00 -1.00 0.00 0.00 59.36 57.99 1p8x h GLU 587 Cb 0.22 0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.51 1p8x h GLU 587 CO -0.01 1.16 0.37 0.87 -1.00 0.00 0.00 179.01 180.40 1p8x h LYS 588 N 0.62 1.12 -0.31 2.33 1.57 -0.91 -0.80 116.57 120.19 1p8x h LYS 588 Ca 0.01 -0.17 -0.07 0.00 -1.87 0.00 0.00 60.65 58.55 1p8x h LYS 588 Cb 1.17 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 33.27 1p8x h LYS 588 CO 0.12 0.88 -0.08 1.15 -0.57 0.00 0.00 179.45 180.96 1p8x h THR 589 N 1.10 1.28 -0.61 -0.16 2.02 -0.53 -2.10 112.91 113.92 1p8x h THR 589 Ca 0.27 -1.12 -0.01 0.00 0.77 0.00 0.00 66.41 66.32 1p8x h THR 589 Cb 0.13 1.37 -0.03 0.00 -1.74 0.00 0.00 68.15 67.88 1p8x h THR 589 CO -0.03 0.36 0.34 1.23 0.37 0.00 0.00 175.52 177.78 1p8x h GLY 590 N 0.37 0.89 1.01 2.16 0.00 -0.70 -1.41 103.07 105.38 1p8x h GLY 590 Ca 0.08 -0.38 -0.01 0.00 0.00 0.00 0.00 47.33 47.02 1p8x h GLY 590 CO 0.03 0.37 0.47 0.00 0.00 0.00 0.00 176.54 177.40 1p8x h ALA 591 N 1.53 1.03 -0.73 3.60 0.00 -0.85 -0.73 119.26 123.11 1p8x h ALA 591 Ca 0.22 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 1p8x h ALA 591 Cb 0.01 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.45 1p8x h ALA 591 CO -0.04 0.51 0.29 1.96 0.00 0.00 0.00 179.25 181.98 1p8x h GLN 592 N 1.11 1.09 -0.68 0.00 4.20 -0.66 -0.38 115.11 119.80 1p8x h GLN 592 Ca 0.29 -0.20 -0.08 0.00 0.06 0.00 0.00 58.65 58.72 1p8x h GLN 592 Cb -0.01 -0.18 -0.03 0.00 0.30 0.00 0.00 27.48 27.56 1p8x h GLN 592 CO -0.05 0.90 0.11 0.93 -0.67 0.00 0.00 178.83 180.04 1p8x h GLU 593 N 1.05 1.12 -0.69 1.46 4.39 -0.72 -1.97 114.58 119.21 1p8x h GLU 593 Ca 0.24 -0.30 -0.01 0.00 0.34 0.00 0.00 59.36 59.63 1p8x h GLU 593 Cb 0.21 -0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 28.70 1p8x h GLU 593 CO -0.02 1.02 0.40 1.25 -1.16 0.00 0.00 179.01 180.50 1p8x h LEU 594 N 1.05 0.85 -1.78 1.33 6.46 -0.81 -1.58 115.31 120.83 1p8x h LEU 594 Ca 0.21 -0.08 -0.02 0.00 -0.12 0.00 0.00 57.88 57.87 1p8x h LEU 594 Cb 0.45 -0.22 -0.00 0.00 -0.73 0.00 0.00 40.66 40.16 1p8x h LEU 594 CO 0.01 0.68 -0.07 -0.07 -0.62 0.00 0.00 178.44 178.38 1p8x h LEU 595 N 0.95 0.05 -0.09 2.25 3.38 -0.39 -0.92 115.31 120.53 1p8x h LEU 595 Ca 0.25 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.20 1p8x h LEU 595 Cb 0.01 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 1p8x h LEU 595 CO -0.04 0.13 0.03 -0.09 0.09 0.00 0.00 178.44 178.55 1p8x h ARG 596 N 0.05 0.15 -0.52 1.13 9.65 -0.61 -0.80 114.38 123.43 1p8x h ARG 596 Ca 0.01 -0.03 -0.02 0.00 -1.10 0.00 0.00 59.98 58.84 1p8x h ARG 596 Cb 0.15 -0.02 -0.03 0.00 -1.39 0.00 0.00 29.97 28.69 1p8x h ARG 596 CO 0.01 0.31 0.22 0.28 2.80 0.00 0.00 179.97 183.59 1p8x h VAL 597 N -0.04 1.19 -0.00 0.20 2.07 -0.54 -0.57 116.25 118.55 1p8x h VAL 597 Ca 0.03 -0.56 0.00 0.00 0.82 0.00 0.00 66.70 66.99 1p8x h VAL 597 Cb 0.22 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 30.54 1p8x h VAL 597 CO -0.00 0.22 -0.01 0.18 0.02 0.00 0.00 177.57 177.98 1p8x n LEU 598 N -4.36 0.14 -3.85 2.57 4.32 -0.43 -4.93 117.00 110.46 1p8x n LEU 598 Ca 0.04 0.05 -0.25 0.00 -0.02 0.00 0.00 56.01 55.83 1p8x n LEU 598 Cb 0.15 -0.09 0.01 0.00 -1.62 0.00 0.00 43.42 41.86 1p8x n LEU 598 CO 0.38 0.02 -0.10 0.54 -1.22 0.00 0.00 177.39 177.01 1p8x n ARG 599 N -1.00 -4.32 -4.14 3.23 1.74 -0.22 -4.99 116.66 106.96 1p8x n ARG 599 Ca 0.20 0.53 -0.15 0.00 -0.77 0.00 0.00 57.85 57.65 1p8x n ARG 599 Cb 0.18 -4.98 -0.12 0.00 -1.02 0.00 0.00 32.46 26.51 1p8x n ARG 599 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1p8x s ALA 600 N -3.71 0.75 -0.21 7.54 0.00 -0.78 -5.05 121.76 120.30 1p8x s ALA 600 Ca 0.13 -0.73 -0.12 0.00 0.00 0.00 0.00 51.96 51.24 1p8x s ALA 600 Cb -0.07 -0.04 -0.05 0.00 0.00 0.00 0.00 23.12 22.97 1p8x s ALA 600 CO 0.85 0.07 0.23 -1.14 0.00 0.00 0.00 175.76 175.77 1p8x s GLN 601 N -1.30 4.14 0.30 0.00 2.00 -1.26 -4.58 119.66 118.96 1p8x s GLN 601 Ca -0.05 -0.09 0.04 0.00 -2.00 0.00 0.00 55.36 53.26 1p8x s GLN 601 Cb -0.08 -3.50 -0.02 0.00 0.80 0.00 0.00 33.01 30.20 1p8x s GLN 601 CO 0.01 0.10 0.46 -1.25 -0.50 0.00 0.00 175.29 174.11 1p8x s PRO 602 N 0.91 3.36 -0.27 1.67 0.04 -1.26 -4.27 135.00 135.18 1p8x s PRO 602 Ca 0.12 -0.67 -0.15 0.00 0.04 0.00 0.00 61.00 60.33 1p8x s PRO 602 Cb -0.13 -2.79 -0.04 0.00 0.04 0.00 0.00 34.50 31.58 1p8x s PRO 602 CO 0.04 0.23 0.39 0.08 0.04 0.00 0.00 177.00 177.78 1p8x s VAL 603 N -2.15 5.16 0.02 -0.36 1.01 0.04 -4.90 120.40 119.22 1p8x s VAL 603 Ca 0.39 0.60 -0.30 0.00 0.00 0.00 0.00 61.98 62.66 1p8x s VAL 603 Cb -0.09 -3.72 -0.05 0.00 0.00 0.00 0.00 36.38 32.52 1p8x s VAL 603 CO 0.32 0.14 1.17 -1.10 0.00 0.00 0.00 175.10 175.63 1p8x s GLN 604 N 2.10 4.43 -0.07 2.72 -1.52 -1.26 -2.03 119.66 124.03 1p8x s GLN 604 Ca 0.16 1.70 0.01 0.00 -1.95 0.00 0.00 55.36 55.28 1p8x s GLN 604 Cb -0.16 -3.42 0.02 0.00 -0.22 0.00 0.00 33.01 29.23 1p8x s GLN 604 CO 0.10 -0.28 -0.10 0.08 -0.25 0.00 0.00 175.29 174.84 1p8x s VAL 605 N 1.35 1.00 0.05 1.09 1.01 0.06 -4.93 120.40 120.03 1p8x s VAL 605 Ca 0.57 -0.37 -0.14 0.00 0.00 0.00 0.00 61.98 62.04 1p8x s VAL 605 Cb -0.27 -0.96 -0.06 0.00 0.00 0.00 0.00 36.38 35.09 1p8x s VAL 605 CO 0.27 0.34 0.46 0.00 0.00 0.00 0.00 175.10 176.17 1p8x s ALA 606 N 0.99 3.67 0.09 5.51 0.00 -1.26 -0.52 121.76 130.23 1p8x s ALA 606 Ca -0.09 -0.19 -0.34 0.00 0.00 0.00 0.00 51.96 51.34 1p8x s ALA 606 Cb -0.15 -2.43 -0.13 0.00 0.00 0.00 0.00 23.12 20.41 1p8x s ALA 606 CO -0.00 0.48 1.65 -1.91 0.00 0.00 0.00 175.76 175.98 1p8x n GLU 607 N 1.43 2.12 0.00 0.00 2.13 -0.26 -1.32 120.64 124.74 1p8x n GLU 607 Ca -0.11 0.77 0.00 0.00 0.66 0.00 0.00 57.16 58.48 1p8x n GLU 607 Cb 0.52 -2.55 0.00 0.00 0.27 0.00 0.00 31.44 29.67 1p8x n GLU 607 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1p8x n GLY 608 N 3.66 2.72 2.22 8.31 0.00 -1.26 -4.85 105.19 115.99 1p8x n GLY 608 Ca 0.19 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.06 1p8x n GLY 608 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1p8x n SER 609 N 0.00 3.69 -4.75 1.61 3.41 -0.44 -5.07 113.62 112.08 1p8x n SER 609 Ca 0.00 -3.18 -0.41 0.00 -0.26 0.00 0.00 58.87 55.02 1p8x n SER 609 Cb 0.00 -0.39 -0.02 0.00 -0.26 0.00 0.00 64.21 63.54 1p8x n SER 609 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1p8x s GLU 610 N -3.59 4.26 0.66 4.33 8.01 -1.25 -4.72 118.70 126.40 1p8x s GLU 610 Ca 0.43 2.33 -0.11 0.00 0.01 0.00 0.00 54.97 57.63 1p8x s GLU 610 Cb 0.38 -3.08 -0.02 0.00 -4.31 0.00 0.00 34.13 27.10 1p8x s GLU 610 CO 0.01 -0.40 1.06 -1.25 0.01 0.00 0.00 175.26 174.68 1p8x s PRO 611 N -0.85 3.29 0.48 0.39 0.05 -1.26 -4.94 135.00 132.15 1p8x s PRO 611 Ca 0.57 0.64 0.14 0.00 0.05 0.00 0.00 61.00 62.39 1p8x s PRO 611 Cb -0.42 -2.05 1.12 0.00 0.05 0.00 0.00 34.50 33.20 1p8x s PRO 611 CO 0.48 -0.77 2.10 -0.44 0.05 0.00 0.00 177.00 178.41 1p8x h ASP 612 N -0.46 0.11 -0.16 6.66 3.32 -2.01 -1.64 116.42 122.23 1p8x h ASP 612 Ca -0.44 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 56.59 1p8x h ASP 612 Cb 1.22 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.73 1p8x h ASP 612 CO 0.63 0.12 0.08 1.23 -1.72 0.00 0.00 179.24 179.57 1p8x h GLY 613 N 0.23 0.30 0.67 2.75 0.00 -1.99 -1.65 103.07 103.37 1p8x h GLY 613 Ca 0.03 -0.13 -0.02 0.00 0.00 0.00 0.00 47.33 47.22 1p8x h GLY 613 CO -0.00 0.13 -0.15 -2.75 0.00 0.00 0.00 176.54 173.76 1p8x h PHE 614 N 0.29 -0.39 -0.82 5.60 3.04 -1.66 -1.80 116.94 121.20 1p8x h PHE 614 Ca 0.07 -0.01 0.03 0.00 3.98 0.00 0.00 57.97 62.04 1p8x h PHE 614 Cb 0.07 0.13 -0.04 0.00 2.56 0.00 0.00 35.95 38.67 1p8x h PHE 614 CO 0.00 -0.06 0.54 -1.49 -2.02 0.00 0.00 178.31 175.28 1p8x h TRP 615 N -0.76 0.99 -0.65 0.41 -0.00 -1.55 -2.42 115.95 111.96 1p8x h TRP 615 Ca -0.04 0.02 0.00 0.00 -0.00 0.00 0.00 58.89 58.87 1p8x h TRP 615 Cb 0.51 -0.33 -0.03 0.00 -0.00 0.00 0.00 29.16 29.30 1p8x h TRP 615 CO 0.02 0.59 0.41 0.93 -0.00 0.00 0.00 178.44 180.39 1p8x h GLU 616 N 1.04 0.88 0.00 0.49 5.08 -1.22 0.23 114.58 121.08 1p8x h GLU 616 Ca 0.32 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.60 1p8x h GLU 616 Cb -0.01 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.05 1p8x h GLU 616 CO -0.09 0.61 -0.03 0.00 -1.00 0.00 0.00 179.01 178.50 1p8x h ALA 617 N 1.22 1.51 -0.15 3.43 0.00 -0.83 -0.40 119.26 124.04 1p8x h ALA 617 Ca 0.24 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1p8x h ALA 617 Cb -0.05 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1p8x h ALA 617 CO -0.05 0.04 0.00 1.28 0.00 0.00 0.00 179.25 180.52 1p8x n LEU 618 N -3.86 2.08 0.00 0.00 4.77 -0.66 -4.91 117.00 114.41 1p8x n LEU 618 Ca -0.03 -0.81 0.00 0.00 -0.03 0.00 0.00 56.01 55.14 1p8x n LEU 618 Cb 0.12 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 1p8x n LEU 618 CO 0.29 0.41 0.00 0.61 -1.33 0.00 0.00 177.39 177.36 1p8x n GLY 619 N 1.23 0.55 0.00 -0.72 0.00 -0.16 -3.95 105.19 102.15 1p8x n GLY 619 Ca 0.17 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.37 1p8x n GLY 619 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p8x n GLY 620 N -2.56 3.23 3.76 -0.02 0.00 0.73 -5.00 105.19 105.34 1p8x n GLY 620 Ca 0.00 -1.63 -0.40 0.00 0.00 0.00 0.00 46.02 43.99 1p8x n GLY 620 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1p8x s LYS 621 N -4.56 4.42 0.23 1.61 2.20 -1.26 -4.42 119.74 117.97 1p8x s LYS 621 Ca 0.00 1.97 -0.21 0.00 -0.36 0.00 0.00 55.97 57.37 1p8x s LYS 621 Cb 0.00 -3.05 0.04 0.00 -1.51 0.00 0.00 37.83 33.31 1p8x s LYS 621 CO 0.00 -0.04 0.66 0.00 -0.36 0.00 0.00 175.35 175.61 1p8x s ALA 622 N -1.20 -1.30 0.71 3.13 0.00 -1.26 -5.05 121.76 116.78 1p8x s ALA 622 Ca 0.48 -0.05 -0.15 0.00 0.00 0.00 0.00 51.96 52.24 1p8x s ALA 622 Cb -0.35 0.87 0.03 0.00 0.00 0.00 0.00 23.12 23.67 1p8x s ALA 622 CO 0.45 -0.93 1.18 0.00 0.00 0.00 0.00 175.76 176.47 1p8x s ALA 623 N -3.86 2.22 0.00 0.00 0.00 -1.26 -4.65 121.76 114.20 1p8x s ALA 623 Ca 0.08 0.80 0.00 0.00 0.00 0.00 0.00 51.96 52.84 1p8x s ALA 623 Cb -0.04 -3.43 0.00 0.00 0.00 0.00 0.00 23.12 19.65 1p8x s ALA 623 CO -0.00 -1.71 0.00 2.48 0.00 0.00 0.00 175.76 176.53 1p8x n TYR 624 N -2.60 -0.22 -2.53 0.00 0.18 -1.26 -3.84 117.16 106.89 1p8x n TYR 624 Ca 0.13 0.00 -0.42 0.00 1.88 0.00 0.00 57.90 59.49 1p8x n TYR 624 Cb 0.51 0.00 -0.03 0.00 -0.38 0.00 0.00 39.34 39.44 1p8x n TYR 624 CO 0.00 0.00 0.00 1.03 -2.08 0.00 0.00 176.86 175.81 1p8x s ARG 625 N -1.68 3.38 0.15 -3.48 0.52 0.12 -4.84 118.95 113.12 1p8x s ARG 625 Ca 0.00 0.18 -0.12 0.00 -0.52 0.00 0.00 55.73 55.27 1p8x s ARG 625 Cb 0.00 -4.08 0.01 0.00 0.52 0.00 0.00 34.95 31.40 1p8x s ARG 625 CO 0.00 -1.86 0.34 -0.08 0.02 0.00 0.00 175.30 173.72 1p8x s THR 626 N 5.42 0.07 -0.12 0.02 -1.32 -1.26 -1.70 115.64 116.75 1p8x s THR 626 Ca 0.43 -1.10 -0.33 0.00 -1.21 0.00 0.00 61.69 59.47 1p8x s THR 626 Cb -0.08 -1.61 0.14 0.00 -1.51 0.00 0.00 72.50 69.44 1p8x s THR 626 CO 0.23 -0.32 1.37 -0.94 -2.21 0.00 0.00 174.62 172.75 1p8x s SER 627 N -2.91 -0.03 0.21 8.08 1.04 -1.26 -4.17 113.70 114.66 1p8x s SER 627 Ca 0.11 -0.04 -0.09 0.00 0.48 0.00 0.00 55.95 56.41 1p8x s SER 627 Cb 0.02 0.06 0.26 0.00 0.10 0.00 0.00 66.02 66.47 1p8x s SER 627 CO -0.04 -0.11 1.79 -0.65 0.98 0.00 0.00 173.24 175.21 1p8x h PRO 628 N 2.00 0.61 -0.50 4.02 0.11 -2.00 -2.10 132.00 134.14 1p8x h PRO 628 Ca -0.25 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 65.74 1p8x h PRO 628 Cb 1.18 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 32.13 1p8x h PRO 628 CO 0.27 0.40 0.00 -0.09 -0.21 0.00 0.00 178.00 178.37 1p8x h ARG 629 N 0.63 0.88 -0.02 1.05 9.65 -1.96 -2.67 114.38 121.94 1p8x h ARG 629 Ca 0.31 -0.28 -0.04 0.00 -1.10 0.00 0.00 59.98 58.86 1p8x h ARG 629 Cb 0.24 -0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 28.74 1p8x h ARG 629 CO -0.21 0.91 -0.19 -0.07 2.80 0.00 0.00 179.97 183.21 1p8x h LEU 630 N 0.75 0.03 -0.12 3.80 3.38 -1.87 -2.62 115.31 118.66 1p8x h LEU 630 Ca 0.14 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1p8x h LEU 630 Cb 0.51 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1p8x h LEU 630 CO 0.03 0.23 0.00 0.11 0.09 0.00 0.00 178.44 178.89 1p8x h LYS 631 N 0.04 0.00 -6.21 1.13 1.57 -1.05 -2.91 116.57 109.13 1p8x h LYS 631 Ca 0.01 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 58.22 1p8x h LYS 631 Cb 0.36 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.62 1p8x h LYS 631 CO 0.03 0.00 0.90 0.34 -0.57 0.00 0.00 179.45 180.15 1p8x s ASP 632 N -4.73 6.89 0.21 0.86 2.15 -0.99 -2.63 116.67 118.43 1p8x s ASP 632 Ca 0.09 1.45 -0.09 0.00 0.43 0.00 0.00 52.55 54.44 1p8x s ASP 632 Cb 0.11 -2.54 0.17 0.00 -0.30 0.00 0.00 42.92 40.36 1p8x s ASP 632 CO 0.58 -0.85 1.83 0.11 -0.17 0.00 0.00 175.17 176.68 1p8x h LYS 633 N 8.39 1.12 0.00 4.34 1.57 -1.77 -3.39 116.57 126.83 1p8x h LYS 633 Ca -0.25 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.40 1p8x h LYS 633 Cb 1.09 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 33.18 1p8x h LYS 633 CO 0.99 0.82 0.00 1.17 -0.57 0.00 0.00 179.45 181.87 1p8x n LYS 634 N -4.42 0.00 -1.55 3.15 4.81 -1.26 -4.93 118.16 113.96 1p8x n LYS 634 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.52 1p8x n LYS 634 Cb 0.09 -0.08 0.00 0.00 0.02 0.00 0.00 35.03 35.07 1p8x n LYS 634 CO 0.00 0.00 0.00 -0.12 1.17 0.00 0.00 177.40 178.45 1p8x n MET 635 N 0.00 -3.26 0.00 1.64 0.00 -1.26 -5.12 117.12 109.12 1p8x n MET 635 Ca 0.00 2.53 0.00 0.00 -0.00 0.00 0.00 57.70 60.23 1p8x n MET 635 Cb 0.00 -2.70 0.00 0.00 0.00 0.00 0.00 33.22 30.52 1p8x n MET 635 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 175.97 176.69 1p8x n HIS 638 N 1.12 0.00 -1.70 1.12 8.25 -1.26 -5.08 115.22 117.68 1p8x n HIS 638 Ca 0.00 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.04 1p8x n HIS 638 Cb 0.00 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.11 1p8x n HIS 638 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1p8x n PRO 639 N 0.00 2.05 -1.68 -0.41 -0.04 -1.26 -4.65 135.00 129.01 1p8x n PRO 639 Ca 0.00 0.72 -0.45 0.00 -0.04 0.00 0.00 63.50 63.74 1p8x n PRO 639 Cb 0.00 -2.34 -0.03 0.00 -0.04 0.00 0.00 33.50 31.09 1p8x n PRO 639 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 1p8x n PRO 640 N 0.38 2.10 -5.05 0.54 -0.02 -1.26 -4.96 135.00 126.73 1p8x n PRO 640 Ca 0.05 0.75 -0.32 0.00 -2.02 0.00 0.00 63.50 61.96 1p8x n PRO 640 Cb 0.37 -2.44 -0.16 0.00 -0.02 0.00 0.00 33.50 31.26 1p8x n PRO 640 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1p8x s ARG 641 N -0.12 2.96 -0.26 -0.52 0.52 -0.82 -4.97 118.95 115.74 1p8x s ARG 641 Ca 0.70 -0.80 -0.07 0.00 -0.52 0.00 0.00 55.73 55.04 1p8x s ARG 641 Cb -0.65 -2.38 -0.02 0.00 0.52 0.00 0.00 34.95 32.42 1p8x s ARG 641 CO 0.47 0.30 0.07 -1.17 0.02 0.00 0.00 175.30 174.99 1p8x s LEU 642 N 0.08 3.49 -0.15 2.53 2.96 -1.26 -0.92 118.68 125.41 1p8x s LEU 642 Ca -0.09 -0.29 -0.03 0.00 -0.22 0.00 0.00 54.13 53.50 1p8x s LEU 642 Cb -0.15 -1.91 -0.03 0.00 0.50 0.00 0.00 46.19 44.60 1p8x s LEU 642 CO 0.05 -0.06 -0.04 -0.36 -1.32 0.00 0.00 176.35 174.63 1p8x s PHE 643 N 1.60 3.02 0.05 5.38 0.40 0.12 -0.27 117.98 128.28 1p8x s PHE 643 Ca 0.06 -0.28 -0.31 0.00 -0.60 0.00 0.00 56.93 55.80 1p8x s PHE 643 Cb -0.15 -1.94 -0.06 0.00 0.51 0.00 0.00 43.02 41.38 1p8x s PHE 643 CO 0.03 -0.01 1.24 0.00 0.70 0.00 0.00 175.22 177.18 1p8x s ALA 644 N 0.28 3.44 0.00 5.36 0.00 -1.26 -1.95 121.76 127.63 1p8x s ALA 644 Ca -0.03 0.87 0.00 0.00 0.00 0.00 0.00 51.96 52.79 1p8x s ALA 644 Cb -0.14 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.51 1p8x s ALA 644 CO 0.03 -0.51 0.00 0.00 0.00 0.00 0.00 175.76 175.28 1p8x s GLU 656 N 0.00 3.68 -0.42 0.00 2.12 -1.26 -4.94 118.70 117.88 1p8x s GLU 656 Ca 0.00 -0.50 -0.25 0.00 0.36 0.00 0.00 54.97 54.58 1p8x s GLU 656 Cb 0.00 -3.02 0.02 0.00 0.26 0.00 0.00 34.13 31.39 1p8x s GLU 656 CO 0.00 0.14 0.87 0.08 -0.54 0.00 0.00 175.26 175.81 1p8x s VAL 657 N 0.65 4.58 1.05 3.70 1.01 0.62 -4.98 120.40 127.03 1p8x s VAL 657 Ca -0.01 0.79 -0.17 0.00 0.00 0.00 0.00 61.98 62.60 1p8x s VAL 657 Cb -0.14 -4.35 0.23 0.00 0.00 0.00 0.00 36.38 32.12 1p8x s VAL 657 CO 0.02 -0.67 1.23 -2.16 0.00 0.00 0.00 175.10 173.52 1p8x s PRO 658 N 3.47 -0.00 1.42 2.72 0.04 -1.26 -4.62 135.00 136.77 1p8x s PRO 658 Ca 0.35 -0.24 0.00 0.00 0.04 0.00 0.00 61.00 61.15 1p8x s PRO 658 Cb -0.11 -1.75 0.00 0.00 0.04 0.00 0.00 34.50 32.67 1p8x s PRO 658 CO 0.22 -2.87 0.00 0.41 0.04 0.00 0.00 177.00 174.80 1p8x n GLY 659 N -2.64 -1.64 3.78 0.56 0.00 -1.26 -4.83 105.19 99.17 1p8x n GLY 659 Ca 0.14 -1.29 -0.35 0.00 0.00 0.00 0.00 46.02 44.53 1p8x n GLY 659 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1p8x s GLU 660 N 0.00 3.46 -0.37 1.61 0.41 -0.23 -4.96 118.70 118.63 1p8x s GLU 660 Ca 0.00 1.52 -0.28 0.00 -0.41 0.00 0.00 54.97 55.80 1p8x s GLU 660 Cb 0.00 -2.03 0.02 0.00 -1.78 0.00 0.00 34.13 30.34 1p8x s GLU 660 CO 0.00 -0.74 1.03 -0.51 -0.49 0.00 0.00 175.26 174.55 1p8x s LEU 661 N -3.77 3.90 0.02 1.80 1.43 -1.26 -4.87 118.68 115.93 1p8x s LEU 661 Ca 0.71 0.75 0.06 0.00 -1.03 0.00 0.00 54.13 54.63 1p8x s LEU 661 Cb -0.21 -3.43 -0.03 0.00 0.03 0.00 0.00 46.19 42.55 1p8x s LEU 661 CO 0.26 -0.94 -0.18 -0.04 0.23 0.00 0.00 176.35 175.68 1p8x s MET 662 N 3.73 2.16 0.42 1.70 -1.94 -1.26 -0.55 119.30 123.56 1p8x s MET 662 Ca 0.43 -0.92 0.17 0.00 -1.71 0.00 0.00 55.69 53.66 1p8x s MET 662 Cb -0.11 -2.21 1.08 0.00 2.01 0.00 0.00 34.83 35.59 1p8x s MET 662 CO 0.20 0.56 1.86 0.37 -0.01 0.00 0.00 175.02 178.00 1p8x h GLN 663 N 4.79 0.40 0.00 2.03 4.15 -1.89 0.34 115.11 124.92 1p8x h GLN 663 Ca -0.47 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 58.93 1p8x h GLN 663 Cb 1.15 -0.09 0.00 0.00 0.21 0.00 0.00 27.48 28.75 1p8x h GLN 663 CO 0.48 0.26 0.00 1.05 -1.93 0.00 0.00 178.83 178.69 1p8x h GLU 664 N 0.41 0.00 0.00 1.69 4.11 -1.99 -2.04 114.58 116.76 1p8x h GLU 664 Ca 0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.89 1p8x h GLU 664 Cb 1.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.37 1p8x h GLU 664 CO -0.17 0.00 0.00 -0.25 0.07 0.00 0.00 179.01 178.66 1p8x n ASP 665 N -2.45 0.34 -4.50 3.06 8.00 0.12 -4.58 116.55 116.54 1p8x n ASP 665 Ca 0.01 0.57 -0.43 0.00 0.71 0.00 0.00 54.79 55.64 1p8x n ASP 665 Cb 0.19 -0.64 -0.04 0.00 -0.02 0.00 0.00 41.12 40.60 1p8x n ASP 665 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1p8x s LEU 666 N -3.71 4.19 -0.46 0.64 1.43 -0.77 -4.97 118.68 115.02 1p8x s LEU 666 Ca 0.08 -0.53 -0.28 0.00 -1.03 0.00 0.00 54.13 52.37 1p8x s LEU 666 Cb 0.11 -2.71 -0.02 0.00 0.03 0.00 0.00 46.19 43.61 1p8x s LEU 666 CO 0.40 -1.27 1.80 0.00 0.23 0.00 0.00 176.35 177.50 1p8x s ALA 667 N 3.95 2.56 -0.09 4.21 0.00 -1.26 -4.87 121.76 126.26 1p8x s ALA 667 Ca 0.28 -0.18 0.26 0.00 0.00 0.00 0.00 51.96 52.31 1p8x s ALA 667 Cb -0.14 -4.14 1.35 0.00 0.00 0.00 0.00 23.12 20.19 1p8x s ALA 667 CO 0.17 -3.19 1.78 1.79 0.00 0.00 0.00 175.76 176.31 1p8x h THR 668 N 6.82 0.00 -0.61 0.00 1.35 -1.94 0.18 112.91 118.71 1p8x h THR 668 Ca -0.30 -0.04 0.00 0.00 -0.55 0.00 0.00 66.41 65.52 1p8x h THR 668 Cb 1.16 0.64 0.00 0.00 -1.73 0.00 0.00 68.15 68.22 1p8x h THR 668 CO 1.12 0.00 0.00 -0.90 -0.25 0.00 0.00 175.52 175.49 1p8x n ASP 669 N -2.40 3.82 -2.81 5.36 5.75 -1.26 -0.77 116.55 124.23 1p8x n ASP 669 Ca -0.01 -2.09 -0.15 0.00 -0.01 0.00 0.00 54.79 52.52 1p8x n ASP 669 Cb 0.07 -0.44 -0.05 0.00 -1.03 0.00 0.00 41.12 39.67 1p8x n ASP 669 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1p8x n ASP 670 N 1.22 0.34 -4.40 -1.12 10.43 0.62 -3.88 116.55 119.77 1p8x n ASP 670 Ca 0.21 -2.48 -0.32 0.00 2.57 0.00 0.00 54.79 54.77 1p8x n ASP 670 Cb 0.62 0.91 -0.14 0.00 1.84 0.00 0.00 41.12 44.35 1p8x n ASP 670 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 1p8x s VAL 671 N -2.75 2.75 0.23 2.53 1.01 -1.26 -1.03 120.40 121.88 1p8x s VAL 671 Ca 0.20 -0.82 0.11 0.00 0.00 0.00 0.00 61.98 61.47 1p8x s VAL 671 Cb 0.01 -2.07 -0.05 0.00 0.00 0.00 0.00 36.38 34.28 1p8x s VAL 671 CO 0.14 0.57 -0.20 -0.04 0.00 0.00 0.00 175.10 175.57 1p8x s MET 672 N -0.43 1.55 -0.10 2.72 1.00 0.23 -2.57 119.30 121.70 1p8x s MET 672 Ca 0.05 -1.64 0.03 0.00 0.00 0.00 0.00 55.69 54.14 1p8x s MET 672 Cb -0.12 -1.68 -0.00 0.00 0.00 0.00 0.00 34.83 33.03 1p8x s MET 672 CO 0.02 0.33 -0.22 -0.51 0.00 0.00 0.00 175.02 174.64 1p8x s LEU 673 N -3.14 2.20 -0.23 -0.03 1.43 -0.82 0.01 118.68 118.09 1p8x s LEU 673 Ca 0.25 -0.51 0.01 0.00 -1.03 0.00 0.00 54.13 52.85 1p8x s LEU 673 Cb -0.06 -1.44 0.04 0.00 0.03 0.00 0.00 46.19 44.76 1p8x s LEU 673 CO 0.12 0.17 -0.12 -0.22 0.23 0.00 0.00 176.35 176.52 1p8x s LEU 674 N 0.29 3.00 -0.34 1.79 0.20 -0.52 0.12 118.68 123.24 1p8x s LEU 674 Ca -0.16 -1.05 -0.11 0.00 0.69 0.00 0.00 54.13 53.49 1p8x s LEU 674 Cb -0.17 -1.56 -0.00 0.00 -0.43 0.00 0.00 46.19 44.03 1p8x s LEU 674 CO 0.08 -0.12 0.20 -0.62 -0.29 0.00 0.00 176.35 175.60 1p8x s ASP 675 N 1.21 5.80 -0.27 3.68 2.15 -0.10 -0.44 116.67 128.70 1p8x s ASP 675 Ca -0.03 -0.59 0.12 0.00 0.43 0.00 0.00 52.55 52.48 1p8x s ASP 675 Cb -0.17 -2.06 0.60 0.00 -0.30 0.00 0.00 42.92 40.98 1p8x s ASP 675 CO -0.07 -0.26 1.57 0.35 -0.17 0.00 0.00 175.17 176.59 1p8x n THR 676 N 5.04 2.60 0.00 1.71 -2.24 0.03 -1.94 114.28 119.48 1p8x n THR 676 Ca -0.13 -2.05 0.00 0.00 -2.27 0.00 0.00 64.05 59.60 1p8x n THR 676 Cb 0.49 -0.31 0.00 0.00 -2.10 0.00 0.00 70.33 68.40 1p8x n THR 676 CO 0.00 0.00 0.00 1.87 -0.57 0.00 0.00 175.07 176.37 1p8x n TRP 677 N -0.60 0.00 1.85 4.78 -0.00 -1.26 -4.26 117.44 117.96 1p8x n TRP 677 Ca 0.32 0.00 0.03 0.00 -0.00 0.00 0.00 57.50 57.85 1p8x n TRP 677 Cb 1.12 0.00 0.14 0.00 -0.00 0.00 0.00 31.31 32.56 1p8x n TRP 677 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 177.69 177.29 1p8x n ASP 678 N 2.64 0.26 -3.61 5.87 5.75 -1.26 -4.80 116.55 121.39 1p8x n ASP 678 Ca 0.00 -1.88 -0.12 0.00 -0.01 0.00 0.00 54.79 52.78 1p8x n ASP 678 Cb 0.00 -0.03 -0.07 0.00 -1.03 0.00 0.00 41.12 40.00 1p8x n ASP 678 CO 0.00 0.00 0.00 -1.58 -0.11 0.00 0.00 177.20 175.51 1p8x s GLN 679 N -1.94 0.68 -0.16 0.11 0.74 -1.26 -4.27 119.66 113.55 1p8x s GLN 679 Ca 0.09 0.61 0.01 0.00 0.05 0.00 0.00 55.36 56.12 1p8x s GLN 679 Cb 0.04 0.33 0.01 0.00 1.10 0.00 0.00 33.01 34.49 1p8x s GLN 679 CO 0.07 -0.12 -0.19 0.08 -0.55 0.00 0.00 175.29 174.58 1p8x s VAL 680 N -0.08 2.27 -0.05 1.34 1.01 -0.39 -0.79 120.40 123.71 1p8x s VAL 680 Ca -0.00 -0.89 -0.11 0.00 0.00 0.00 0.00 61.98 60.98 1p8x s VAL 680 Cb -0.04 -1.95 -0.05 0.00 0.00 0.00 0.00 36.38 34.35 1p8x s VAL 680 CO -0.01 0.53 0.29 -0.36 0.00 0.00 0.00 175.10 175.55 1p8x s PHE 681 N 1.05 3.67 -0.41 5.22 0.08 0.41 -0.12 117.98 127.88 1p8x s PHE 681 Ca -0.01 0.79 -0.05 0.00 0.12 0.00 0.00 56.93 57.78 1p8x s PHE 681 Cb -0.14 -2.14 0.10 0.00 -0.57 0.00 0.00 43.02 40.27 1p8x s PHE 681 CO -0.06 0.68 0.21 0.08 -0.10 0.00 0.00 175.22 176.04 1p8x s VAL 682 N -1.06 3.60 -0.17 -0.44 1.01 0.56 -1.43 120.40 122.46 1p8x s VAL 682 Ca 0.20 -1.79 -0.22 0.00 0.00 0.00 0.00 61.98 60.18 1p8x s VAL 682 Cb -0.15 -3.34 -0.03 0.00 0.00 0.00 0.00 36.38 32.87 1p8x s VAL 682 CO 0.09 -0.59 0.66 0.86 0.00 0.00 0.00 175.10 176.13 1p8x s TRP 683 N 1.25 3.42 -0.36 5.22 -0.00 0.10 -0.94 118.94 127.63 1p8x s TRP 683 Ca 0.05 1.03 -0.10 0.00 -0.00 0.00 0.00 56.10 57.07 1p8x s TRP 683 Cb -0.23 -2.82 0.03 0.00 -0.00 0.00 0.00 33.47 30.45 1p8x s TRP 683 CO -0.02 -0.12 0.19 0.08 -0.00 0.00 0.00 176.95 177.08 1p8x s VAL 684 N 1.70 4.48 0.55 5.86 1.01 0.59 -0.60 120.40 133.99 1p8x s VAL 684 Ca 0.31 -0.85 -0.21 0.00 0.00 0.00 0.00 61.98 61.24 1p8x s VAL 684 Cb -0.16 -3.49 -0.05 0.00 0.00 0.00 0.00 36.38 32.68 1p8x s VAL 684 CO 0.12 -0.20 1.25 -0.83 0.00 0.00 0.00 175.10 175.44 1p8x s GLY 685 N 1.54 2.80 0.44 4.51 0.00 -0.20 -1.54 107.32 114.88 1p8x s GLY 685 Ca 0.02 1.10 0.13 0.00 0.00 0.00 0.00 44.72 45.97 1p8x s GLY 685 CO 0.06 1.55 2.02 1.70 0.00 0.00 0.00 173.10 178.43 1p8x h LYS 686 N 1.36 0.37 -0.38 2.90 3.64 -1.81 -2.29 116.57 120.35 1p8x h LYS 686 Ca -0.50 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.85 1p8x h LYS 686 Cb 1.29 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 33.02 1p8x h LYS 686 CO 0.57 0.24 0.00 -0.25 -2.27 0.00 0.00 179.45 177.74 1p8x n ASP 687 N -4.47 4.53 -4.80 4.20 8.00 0.05 -4.97 116.55 119.09 1p8x n ASP 687 Ca 0.07 -2.95 -0.36 0.00 0.71 0.00 0.00 54.79 52.26 1p8x n ASP 687 Cb 0.27 -0.59 -0.06 0.00 -0.02 0.00 0.00 41.12 40.72 1p8x n ASP 687 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1p8x s SER 688 N -1.49 7.20 0.57 -2.24 1.04 -0.86 -4.60 113.70 113.32 1p8x s SER 688 Ca 0.46 1.66 -0.16 0.00 0.48 0.00 0.00 55.95 58.39 1p8x s SER 688 Cb 0.36 -2.51 -0.05 0.00 0.10 0.00 0.00 66.02 63.92 1p8x s SER 688 CO 0.12 -0.05 1.05 -1.10 0.98 0.00 0.00 173.24 174.23 1p8x s GLN 689 N -2.12 3.44 0.23 4.02 -1.52 -1.26 -4.96 119.66 117.48 1p8x s GLN 689 Ca 0.48 1.18 -0.06 0.00 -1.95 0.00 0.00 55.36 55.01 1p8x s GLN 689 Cb -0.17 -2.05 0.38 0.00 -0.22 0.00 0.00 33.01 30.95 1p8x s GLN 689 CO 0.22 -0.71 1.74 0.93 -0.25 0.00 0.00 175.29 177.22 1p8x h GLU 690 N 0.59 0.43 -0.05 2.91 4.39 -2.00 -1.25 114.58 119.60 1p8x h GLU 690 Ca -0.47 -0.03 0.01 0.00 0.34 0.00 0.00 59.36 59.22 1p8x h GLU 690 Cb 1.22 -0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 29.77 1p8x h GLU 690 CO 0.58 0.28 0.04 0.93 -1.16 0.00 0.00 179.01 179.68 1p8x h GLU 691 N 0.44 0.00 -0.16 2.33 3.07 -2.00 -1.67 114.58 116.59 1p8x h GLU 691 Ca 0.37 0.00 -0.07 0.00 -0.50 0.00 0.00 59.36 59.16 1p8x h GLU 691 Cb 0.51 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.41 1p8x h GLU 691 CO -0.36 0.00 -0.20 0.93 -1.40 0.00 0.00 179.01 177.98 1p8x h GLU 692 N 0.00 0.28 -0.23 2.33 5.08 -1.60 -1.14 114.58 119.29 1p8x h GLU 692 Ca 0.02 -0.08 -0.15 0.00 -1.00 0.00 0.00 59.36 58.15 1p8x h GLU 692 Cb 0.10 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.32 1p8x h GLU 692 CO -0.00 0.47 -0.43 -0.22 -1.00 0.00 0.00 179.01 177.83 1p8x h LYS 693 N 0.26 0.71 0.32 2.33 3.64 -1.38 -1.83 116.57 120.61 1p8x h LYS 693 Ca 0.05 -0.45 -0.01 0.00 -1.27 0.00 0.00 60.65 58.97 1p8x h LYS 693 Cb 0.50 0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.37 1p8x h LYS 693 CO 0.03 1.07 -0.20 1.15 -2.27 0.00 0.00 179.45 179.23 1p8x h THR 694 N 0.43 0.58 0.13 1.00 2.02 -1.34 0.46 112.91 116.19 1p8x h THR 694 Ca 0.01 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.21 1p8x h THR 694 Cb 1.03 0.58 -0.03 0.00 -1.74 0.00 0.00 68.15 68.00 1p8x h THR 694 CO 0.10 0.00 -0.22 -0.33 0.37 0.00 0.00 175.52 175.43 1p8x h GLU 695 N -0.50 -0.41 -0.82 6.66 4.39 -1.27 -1.10 114.58 121.53 1p8x h GLU 695 Ca -0.03 0.03 0.13 0.00 0.34 0.00 0.00 59.36 59.83 1p8x h GLU 695 Cb 0.41 0.09 -0.09 0.00 -0.10 0.00 0.00 28.75 29.07 1p8x h GLU 695 CO 0.03 -0.27 0.42 0.00 -1.16 0.00 0.00 179.01 178.02 1p8x h ALA 696 N 0.34 1.20 -0.54 3.43 0.00 -1.16 0.23 119.26 122.76 1p8x h ALA 696 Ca 0.02 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1p8x h ALA 696 Cb 0.44 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1p8x h ALA 696 CO -0.12 -0.07 0.21 -0.07 0.00 0.00 0.00 179.25 179.20 1p8x h LEU 697 N 0.63 0.76 -0.20 0.00 3.38 -0.46 0.63 115.31 120.04 1p8x h LEU 697 Ca 0.43 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 58.23 1p8x h LEU 697 Cb 0.57 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 1p8x h LEU 697 CO -0.34 0.73 0.14 0.74 0.09 0.00 0.00 178.44 179.80 1p8x h THR 698 N 0.74 1.05 -0.45 0.22 2.02 0.15 -2.48 112.91 114.17 1p8x h THR 698 Ca 0.18 -0.10 0.03 0.00 0.77 0.00 0.00 66.41 67.29 1p8x h THR 698 Cb 0.22 0.75 -0.03 0.00 -1.74 0.00 0.00 68.15 67.35 1p8x h THR 698 CO -0.01 0.05 0.25 0.28 0.37 0.00 0.00 175.52 176.46 1p8x h SER 699 N 0.28 0.40 -0.20 4.18 0.02 -0.32 -2.40 113.55 115.51 1p8x h SER 699 Ca 0.07 0.01 0.05 0.00 -0.84 0.00 0.00 61.79 61.08 1p8x h SER 699 Cb -0.03 -0.07 -0.05 0.00 0.14 0.00 0.00 62.40 62.39 1p8x h SER 699 CO -0.02 0.28 -0.11 0.00 -1.14 0.00 0.00 176.83 175.85 1p8x h ALA 700 N 1.21 0.06 -0.36 3.77 0.00 -0.63 0.61 119.26 123.92 1p8x h ALA 700 Ca 0.18 0.08 0.08 0.00 0.00 0.00 0.00 54.91 55.25 1p8x h ALA 700 Cb 0.04 0.25 -0.07 0.00 0.00 0.00 0.00 17.79 18.01 1p8x h ALA 700 CO -0.10 -0.53 -0.14 -0.22 0.00 0.00 0.00 179.25 178.26 1p8x h LYS 701 N -0.09 -0.07 -0.41 0.00 3.64 -1.23 -0.33 116.57 118.09 1p8x h LYS 701 Ca 0.11 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.46 1p8x h LYS 701 Cb 0.26 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.08 1p8x h LYS 701 CO -0.26 -0.04 0.10 -0.09 -2.27 0.00 0.00 179.45 176.89 1p8x h ARG 702 N -0.07 0.65 -0.70 1.90 2.43 -0.88 -2.49 114.38 115.22 1p8x h ARG 702 Ca 0.18 -0.16 0.09 0.00 -0.81 0.00 0.00 59.98 59.29 1p8x h ARG 702 Cb 0.34 -0.09 -0.07 0.00 -0.42 0.00 0.00 29.97 29.73 1p8x h ARG 702 CO -0.40 0.67 0.34 -0.92 -1.51 0.00 0.00 179.97 178.14 1p8x h TYR 703 N 0.51 0.60 0.00 2.20 3.20 0.81 0.27 116.97 124.57 1p8x h TYR 703 Ca 0.13 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 62.03 1p8x h TYR 703 Cb 0.31 -0.17 -0.00 0.00 1.54 0.00 0.00 36.73 38.41 1p8x h TYR 703 CO 0.02 0.21 -0.01 0.82 -1.64 0.00 0.00 178.16 177.56 1p8x h ILE 704 N 0.57 0.02 -0.01 1.81 2.04 -0.88 -2.85 117.51 118.22 1p8x h ILE 704 Ca 0.35 -0.49 0.00 0.00 1.00 0.00 0.00 64.86 65.71 1p8x h ILE 704 Cb 0.37 1.48 0.00 0.00 -0.74 0.00 0.00 36.82 37.94 1p8x h ILE 704 CO -0.27 0.01 -0.65 -0.62 0.00 0.00 0.00 178.15 176.62 1p8x n GLU 705 N -3.10 1.19 -0.00 2.37 1.02 0.24 -4.30 120.64 118.07 1p8x n GLU 705 Ca 0.00 -0.43 -0.12 0.00 -0.02 0.00 0.00 57.16 56.59 1p8x n GLU 705 Cb 0.29 -1.37 -0.10 0.00 -0.02 0.00 0.00 31.44 30.25 1p8x n GLU 705 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 1p8x h THR 706 N 1.02 1.26 -1.14 2.62 2.02 -0.34 -3.51 112.91 114.84 1p8x h THR 706 Ca 0.00 -1.42 0.00 0.00 0.77 0.00 0.00 66.41 65.76 1p8x h THR 706 Cb 0.54 2.15 0.00 0.00 -1.74 0.00 0.00 68.15 69.10 1p8x h THR 706 CO 0.00 0.34 0.00 0.47 0.37 0.00 0.00 175.52 176.70 1p8x n ASP 707 N -4.82 -3.43 -4.40 4.18 10.43 -1.22 -5.11 116.55 112.18 1p8x n ASP 707 Ca -0.08 0.00 -0.20 0.00 2.57 0.00 0.00 54.79 57.08 1p8x n ASP 707 Cb 0.31 0.00 -0.10 0.00 1.84 0.00 0.00 41.12 43.16 1p8x n ASP 707 CO 0.00 0.00 0.00 0.20 -1.07 0.00 0.00 177.20 176.33 1p8x s ASN 710 N -4.00 2.36 0.00 -2.24 0.01 -1.26 -5.18 114.94 104.63 1p8x s ASN 710 Ca 0.00 -1.23 0.00 0.00 -0.71 0.00 0.00 52.86 50.92 1p8x s ASN 710 Cb 0.00 -0.09 0.00 0.00 0.41 0.00 0.00 41.25 41.57 1p8x s ASN 710 CO 0.00 -0.45 0.00 -2.11 -1.51 0.00 0.00 177.10 173.03 1p8x n ARG 711 N -0.54 3.46 -4.25 -0.60 1.85 -1.26 -5.15 116.66 110.17 1p8x n ARG 711 Ca -0.05 0.00 -0.35 0.00 -1.00 0.00 0.00 57.85 56.45 1p8x n ARG 711 Cb 0.64 0.00 -0.09 0.00 -1.05 0.00 0.00 32.46 31.96 1p8x n ARG 711 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 1p8x s ASP 712 N 0.46 5.46 0.00 2.89 -1.08 -1.26 -4.99 116.67 118.15 1p8x s ASP 712 Ca 0.00 0.18 0.18 0.00 -0.52 0.00 0.00 52.55 52.39 1p8x s ASP 712 Cb 0.00 -1.64 1.05 0.00 -1.46 0.00 0.00 42.92 40.86 1p8x s ASP 712 CO 0.00 0.35 1.46 0.54 0.52 0.00 0.00 175.17 178.05 1p8x n ARG 713 N 2.31 0.62 -1.19 4.34 5.12 -1.26 -1.91 116.66 124.70 1p8x n ARG 713 Ca -0.19 0.00 -0.19 0.00 -1.93 0.00 0.00 57.85 55.55 1p8x n ARG 713 Cb 0.54 -1.44 0.15 0.00 -1.16 0.00 0.00 32.46 30.54 1p8x n ARG 713 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 1p8x n ARG 714 N -0.94 2.35 -2.61 5.56 0.00 -1.26 -4.93 116.66 114.83 1p8x n ARG 714 Ca 0.13 -3.28 -0.43 0.00 -0.00 0.00 0.00 57.85 54.27 1p8x n ARG 714 Cb 0.06 -2.08 -0.02 0.00 0.00 0.00 0.00 32.46 30.42 1p8x n ARG 714 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 1p8x s THR 715 N -3.76 4.38 0.41 5.15 2.01 -0.80 -4.97 115.64 118.06 1p8x s THR 715 Ca 0.53 1.54 -0.27 0.00 0.31 0.00 0.00 61.69 63.81 1p8x s THR 715 Cb 0.45 -4.46 -0.10 0.00 0.01 0.00 0.00 72.50 68.40 1p8x s THR 715 CO 0.03 -0.66 1.46 -2.84 -0.69 0.00 0.00 174.62 171.92 1p8x s PRO 716 N 3.96 3.89 -0.35 4.92 0.02 -1.26 -4.84 135.00 141.33 1p8x s PRO 716 Ca 0.47 2.49 0.01 0.00 0.02 0.00 0.00 61.00 63.99 1p8x s PRO 716 Cb -0.11 -2.81 0.09 0.00 0.02 0.00 0.00 34.50 31.70 1p8x s PRO 716 CO 0.21 -0.68 0.09 0.42 -0.33 0.00 0.00 177.00 176.71 1p8x s ILE 717 N -1.16 2.72 -0.27 2.83 1.01 -1.25 -1.27 121.20 123.80 1p8x s ILE 717 Ca 0.57 -2.08 -0.11 0.00 0.00 0.00 0.00 60.65 59.03 1p8x s ILE 717 Cb -0.45 -2.87 -0.05 0.00 0.01 0.00 0.00 42.46 39.10 1p8x s ILE 717 CO 0.60 -0.53 0.19 -0.89 0.00 0.00 0.00 174.94 174.31 1p8x s THR 718 N 1.04 5.31 -0.05 2.92 2.01 0.82 -4.93 115.64 122.77 1p8x s THR 718 Ca 0.07 0.18 -0.23 0.00 0.31 0.00 0.00 61.69 62.01 1p8x s THR 718 Cb -0.21 -3.53 -0.04 0.00 0.01 0.00 0.00 72.50 68.74 1p8x s THR 718 CO -0.06 0.26 0.70 -0.69 -0.69 0.00 0.00 174.62 174.15 1p8x s VAL 719 N 1.67 4.99 0.03 3.82 1.01 -1.26 -0.32 120.40 130.34 1p8x s VAL 719 Ca 0.07 1.46 0.03 0.00 0.00 0.00 0.00 61.98 63.55 1p8x s VAL 719 Cb -0.16 -4.05 -0.02 0.00 0.00 0.00 0.00 36.38 32.16 1p8x s VAL 719 CO 0.10 0.28 -0.10 0.68 0.00 0.00 0.00 175.10 176.06 1p8x s VAL 720 N 0.60 0.79 0.04 2.92 -7.23 -0.12 -4.91 120.40 112.50 1p8x s VAL 720 Ca 0.37 -0.90 0.03 0.00 -1.81 0.00 0.00 61.98 59.67 1p8x s VAL 720 Cb -0.18 -0.75 -0.04 0.00 0.56 0.00 0.00 36.38 35.97 1p8x s VAL 720 CO 0.19 -0.12 0.01 -0.54 -0.31 0.00 0.00 175.10 174.33 1p8x s LYS 721 N -1.14 2.71 0.14 4.82 -0.14 -1.26 -0.30 119.74 124.57 1p8x s LYS 721 Ca -0.02 -0.70 -0.35 0.00 -1.36 0.00 0.00 55.97 53.54 1p8x s LYS 721 Cb -0.08 -2.63 -0.16 0.00 -1.68 0.00 0.00 37.83 33.29 1p8x s LYS 721 CO 0.01 0.59 1.36 0.94 -0.76 0.00 0.00 175.35 177.49 1p8x n GLN 722 N 1.02 1.46 -0.19 1.68 7.27 -0.59 -1.07 117.38 126.96 1p8x n GLN 722 Ca -0.13 0.52 0.00 0.00 0.07 0.00 0.00 57.00 57.47 1p8x n GLN 722 Cb 0.52 -2.16 0.00 0.00 2.41 0.00 0.00 30.24 31.01 1p8x n GLN 722 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1p8x n GLY 723 N 2.56 1.94 1.36 1.69 0.00 -1.26 -4.81 105.19 106.67 1p8x n GLY 723 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1p8x n GLY 723 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1p8x n PHE 724 N -2.00 0.57 -2.30 1.61 3.01 -0.23 -5.08 117.46 113.03 1p8x n PHE 724 Ca 0.00 -1.37 -0.40 0.00 1.01 0.00 0.00 57.45 56.69 1p8x n PHE 724 Cb 0.00 -0.23 -0.03 0.00 -0.01 0.00 0.00 39.48 39.21 1p8x n PHE 724 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 1p8x s GLU 725 N -2.34 4.46 0.44 -1.08 8.01 -1.22 -4.56 118.70 122.40 1p8x s GLU 725 Ca 0.37 1.98 -0.15 0.00 0.01 0.00 0.00 54.97 57.19 1p8x s GLU 725 Cb 0.38 -3.08 -0.08 0.00 -4.31 0.00 0.00 34.13 27.04 1p8x s GLU 725 CO -0.08 -0.01 0.87 -1.25 0.01 0.00 0.00 175.26 174.79 1p8x s PRO 726 N -1.69 3.94 0.42 0.39 0.04 -1.26 -4.88 135.00 131.96 1p8x s PRO 726 Ca 0.48 0.77 0.19 0.00 0.04 0.00 0.00 61.00 62.47 1p8x s PRO 726 Cb -0.35 -2.27 1.12 0.00 0.04 0.00 0.00 34.50 33.03 1p8x s PRO 726 CO 0.46 -0.09 1.84 -1.35 0.04 0.00 0.00 177.00 177.90 1p8x h PRO 727 N 1.38 0.37 0.00 0.56 0.11 -1.93 0.13 132.00 132.61 1p8x h PRO 727 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1p8x h PRO 727 Cb 1.18 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1p8x h PRO 727 CO 0.63 0.24 0.00 0.66 -0.21 0.00 0.00 178.00 179.32 1p8x h SER 728 N 0.38 0.00 0.00 -2.05 4.64 -1.89 -1.36 113.55 113.27 1p8x h SER 728 Ca 0.49 0.00 -0.43 0.00 -0.47 0.00 0.00 61.79 61.38 1p8x h SER 728 Cb 1.27 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.30 1p8x h SER 728 CO -0.18 0.00 -2.36 0.33 -0.87 0.00 0.00 176.83 173.74 1p8x n PHE 729 N -2.30 0.16 0.26 4.77 7.35 0.40 -4.48 117.46 123.63 1p8x n PHE 729 Ca 0.00 0.07 0.09 0.00 -0.76 0.00 0.00 57.45 56.84 1p8x n PHE 729 Cb 0.12 -1.02 0.66 0.00 0.35 0.00 0.00 39.48 39.60 1p8x n PHE 729 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 1p8x h VAL 730 N -0.92 0.94 -0.25 -2.13 2.07 -1.19 -2.61 116.25 112.17 1p8x h VAL 730 Ca -0.65 -0.11 0.07 0.00 0.82 0.00 0.00 66.70 66.84 1p8x h VAL 730 Cb 1.60 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 32.42 1p8x h VAL 730 CO -0.37 0.03 0.19 1.23 0.02 0.00 0.00 177.57 178.67 1p8x h GLY 731 N 0.11 0.00 1.59 2.17 0.00 -1.48 -1.73 103.07 103.73 1p8x h GLY 731 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1p8x h GLY 731 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 176.54 177.33 1p8x n TRP 732 N -4.37 0.00 -3.69 5.60 7.02 -0.98 -4.82 117.44 116.20 1p8x n TRP 732 Ca 0.03 0.00 -0.33 0.00 -1.02 0.00 0.00 57.50 56.18 1p8x n TRP 732 Cb 0.34 -0.29 -0.05 0.00 -2.42 0.00 0.00 31.31 28.89 1p8x n TRP 732 CO 0.00 0.00 0.00 -0.06 -2.02 0.00 0.00 177.69 175.61 1p8x s PHE 733 N -2.59 3.54 -0.74 -5.99 0.40 -0.65 -4.63 117.98 107.32 1p8x s PHE 733 Ca 0.21 0.61 -0.22 0.00 -0.60 0.00 0.00 56.93 56.93 1p8x s PHE 733 Cb 0.15 -2.03 0.08 0.00 0.51 0.00 0.00 43.02 41.73 1p8x s PHE 733 CO 0.34 0.52 1.02 -1.17 0.70 0.00 0.00 175.22 176.63 1p8x s LEU 734 N -2.18 4.50 -0.27 -0.37 2.96 0.29 -4.56 118.68 119.05 1p8x s LEU 734 Ca 0.34 -1.26 -0.07 0.00 -0.22 0.00 0.00 54.13 52.93 1p8x s LEU 734 Cb -0.13 -2.42 0.01 0.00 0.50 0.00 0.00 46.19 44.15 1p8x s LEU 734 CO 0.20 -1.36 0.26 0.61 -1.32 0.00 0.00 176.35 174.74 1p8x n GLY 735 N 5.43 -2.26 3.79 7.98 0.00 -1.26 -4.77 105.19 114.10 1p8x n GLY 735 Ca 0.04 0.63 -0.36 0.00 0.00 0.00 0.00 46.02 46.34 1p8x n GLY 735 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1p8x s TRP 736 N -1.76 3.60 -0.24 1.61 -0.11 -1.26 -4.88 118.94 115.89 1p8x s TRP 736 Ca 0.11 1.73 0.00 0.00 1.22 0.00 0.00 56.10 59.15 1p8x s TRP 736 Cb -0.03 -2.89 0.04 0.00 -1.50 0.00 0.00 33.47 29.08 1p8x s TRP 736 CO 0.56 0.14 -0.09 0.34 -4.62 0.00 0.00 176.95 173.28 1p8x s ASP 737 N -1.76 4.20 0.13 5.86 3.68 -1.26 -4.87 116.67 122.66 1p8x s ASP 737 Ca 0.53 -1.02 0.10 0.00 2.13 0.00 0.00 52.55 54.29 1p8x s ASP 737 Cb -0.16 -1.61 0.53 0.00 -1.45 0.00 0.00 42.92 40.23 1p8x s ASP 737 CO 0.21 -0.14 1.31 0.47 0.13 0.00 0.00 175.17 177.16 1p8x n ASP 738 N 4.59 0.25 -0.24 -0.34 10.43 -1.26 -1.00 116.55 128.97 1p8x n ASP 738 Ca -0.16 0.61 0.05 0.00 2.57 0.00 0.00 54.79 57.86 1p8x n ASP 738 Cb 0.46 -0.64 0.00 0.00 1.84 0.00 0.00 41.12 42.78 1p8x n ASP 738 CO 0.00 0.00 0.00 0.47 -1.07 0.00 0.00 177.20 176.60 1p8x n ASP 739 N -1.82 1.27 -0.21 -2.24 8.00 -1.26 -4.73 116.55 115.56 1p8x n ASP 739 Ca -0.00 -1.14 0.20 0.00 0.71 0.00 0.00 54.79 54.56 1p8x n ASP 739 Cb 0.03 0.43 0.35 0.00 -0.02 0.00 0.00 41.12 41.91 1p8x n ASP 739 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1p8x n TYR 740 N -0.18 0.59 0.69 1.24 4.19 -0.17 -5.25 117.16 118.28 1p8x n TYR 740 Ca 0.04 0.60 0.08 0.00 3.31 0.00 0.00 57.90 61.93 1p8x n TYR 740 Cb 0.22 -1.02 0.07 0.00 0.49 0.00 0.00 39.34 39.09 1p8x n TYR 740 CO 0.00 0.00 0.00 0.91 0.91 0.00 0.00 176.86 178.68