#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p8x n ASP 415 N 0.00 1.56 -0.33 1.67 5.68 -1.26 -4.94 116.55 118.93 1p8x n ASP 415 Ca 0.00 -1.85 -0.04 0.00 -0.50 0.00 0.00 54.79 52.40 1p8x n ASP 415 Cb 0.00 -0.15 -0.02 0.00 -1.14 0.00 0.00 41.12 39.81 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 1.04 0.67 0.37 6.12 0.00 -1.26 -4.83 105.19 107.30 1p8x n GLY 416 Ca 0.13 -0.32 0.13 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.66 0.00 -0.45 2.61 -2.24 -1.26 -4.25 114.28 106.02 1p8x n THR 417 Ca -0.04 -0.19 -0.29 0.00 -2.27 0.00 0.00 64.05 61.25 1p8x n THR 417 Cb 0.25 0.68 0.25 0.00 -2.10 0.00 0.00 70.33 69.41 1p8x n THR 417 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1p8x n GLY 418 N 1.34 -2.64 3.82 3.38 0.00 -1.26 -4.97 105.19 104.86 1p8x n GLY 418 Ca 0.12 -1.21 -0.34 0.00 0.00 0.00 0.00 46.02 44.60 1p8x n GLY 418 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1p8x s GLN 419 N -4.27 4.23 0.08 1.61 -2.07 -1.25 -4.86 119.66 113.13 1p8x s GLN 419 Ca 0.64 0.99 -0.08 0.00 -1.82 0.00 0.00 55.36 55.08 1p8x s GLN 419 Cb -0.19 -2.45 -0.00 0.00 -1.09 0.00 0.00 33.01 29.28 1p8x s GLN 419 CO 0.62 0.13 0.18 -1.59 -1.32 0.00 0.00 175.29 173.31 1p8x s LYS 420 N -2.78 0.82 -0.03 9.60 -2.85 -1.26 -2.28 119.74 120.96 1p8x s LYS 420 Ca 0.55 -0.95 0.04 0.00 -1.00 0.00 0.00 55.97 54.62 1p8x s LYS 420 Cb -0.12 0.33 -0.00 0.00 -2.06 0.00 0.00 37.83 35.98 1p8x s LYS 420 CO 0.17 -0.25 -0.16 -0.65 0.10 0.00 0.00 175.35 174.55 1p8x s GLN 421 N -3.77 1.59 -0.06 1.78 -0.21 -0.42 -4.99 119.66 113.58 1p8x s GLN 421 Ca 0.04 -0.57 0.05 0.00 0.02 0.00 0.00 55.36 54.89 1p8x s GLN 421 Cb 0.05 -1.43 -0.00 0.00 1.00 0.00 0.00 33.01 32.63 1p8x s GLN 421 CO -0.10 0.26 -0.21 0.42 -2.12 0.00 0.00 175.29 173.54 1p8x s ILE 422 N -0.05 1.73 0.14 1.08 1.01 -1.26 -0.72 121.20 123.13 1p8x s ILE 422 Ca -0.01 -0.87 0.09 0.00 0.00 0.00 0.00 60.65 59.86 1p8x s ILE 422 Cb -0.10 -1.49 -0.04 0.00 0.01 0.00 0.00 42.46 40.84 1p8x s ILE 422 CO 0.01 0.49 -0.21 0.26 0.00 0.00 0.00 174.94 175.50 1p8x s TRP 423 N 0.12 1.90 -0.07 3.97 0.51 -0.33 -1.17 118.94 123.87 1p8x s TRP 423 Ca -0.08 -0.43 0.02 0.00 -2.12 0.00 0.00 56.10 53.49 1p8x s TRP 423 Cb -0.14 -0.99 -0.03 0.00 -0.81 0.00 0.00 33.47 31.51 1p8x s TRP 423 CO 0.04 0.31 -0.12 0.50 -0.51 0.00 0.00 176.95 177.17 1p8x s ARG 424 N -2.40 2.73 -0.11 4.98 3.52 0.09 -0.81 118.95 126.95 1p8x s ARG 424 Ca 0.13 -0.65 -0.30 0.00 -0.13 0.00 0.00 55.73 54.78 1p8x s ARG 424 Cb -0.08 -2.49 -0.03 0.00 -1.56 0.00 0.00 34.95 30.80 1p8x s ARG 424 CO 0.06 0.56 1.29 0.42 -0.81 0.00 0.00 175.30 176.82 1p8x s ILE 425 N -0.56 4.17 -0.18 4.11 1.09 -0.07 -0.90 121.20 128.85 1p8x s ILE 425 Ca 0.08 1.45 -0.03 0.00 -1.10 0.00 0.00 60.65 61.05 1p8x s ILE 425 Cb -0.12 -3.94 0.06 0.00 -1.06 0.00 0.00 42.46 37.41 1p8x s ILE 425 CO 0.02 -0.08 0.04 -1.61 -0.10 0.00 0.00 174.94 173.20 1p8x s GLU 426 N 3.06 0.60 5.20 2.79 2.02 0.99 -4.70 118.70 128.67 1p8x s GLU 426 Ca 0.57 -0.35 0.00 0.00 0.02 0.00 0.00 54.97 55.21 1p8x s GLU 426 Cb -0.24 -2.00 0.00 0.00 0.10 0.00 0.00 34.13 31.99 1p8x s GLU 426 CO 0.19 -0.62 0.00 0.41 0.02 0.00 0.00 175.26 175.26 1p8x n GLY 427 N 5.08 1.66 1.56 -1.39 0.00 -1.26 -1.52 105.19 109.32 1p8x n GLY 427 Ca -0.09 -0.63 0.10 0.00 0.00 0.00 0.00 46.02 45.40 1p8x n GLY 427 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1p8x n SER 428 N 2.96 4.63 -4.60 1.61 7.64 -1.26 -4.91 113.62 119.69 1p8x n SER 428 Ca 0.00 -2.39 -0.28 0.00 1.01 0.00 0.00 58.87 57.21 1p8x n SER 428 Cb 0.00 -0.57 -0.09 0.00 -1.01 0.00 0.00 64.21 62.54 1p8x n SER 428 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1p8x s ASN 429 N -0.89 4.48 -0.12 6.43 0.01 -0.58 -4.91 114.94 119.37 1p8x s ASN 429 Ca 0.50 -0.43 -0.06 0.00 -0.71 0.00 0.00 52.86 52.17 1p8x s ASN 429 Cb 0.32 -0.87 -0.04 0.00 0.41 0.00 0.00 41.25 41.07 1p8x s ASN 429 CO 0.25 0.13 0.09 -1.59 -1.51 0.00 0.00 177.10 174.48 1p8x s LYS 430 N -2.58 3.38 -0.06 -0.60 -2.85 -1.26 -0.01 119.74 115.75 1p8x s LYS 430 Ca 0.24 -0.23 0.03 0.00 -1.00 0.00 0.00 55.97 55.01 1p8x s LYS 430 Cb -0.10 -3.08 0.01 0.00 -2.06 0.00 0.00 37.83 32.59 1p8x s LYS 430 CO 0.16 0.70 -0.15 0.08 0.10 0.00 0.00 175.35 176.24 1p8x s VAL 431 N -0.82 1.32 0.33 1.79 1.01 -0.08 -4.89 120.40 119.06 1p8x s VAL 431 Ca 0.13 -0.61 -0.28 0.00 0.00 0.00 0.00 61.98 61.22 1p8x s VAL 431 Cb -0.12 -1.17 -0.12 0.00 0.00 0.00 0.00 36.38 34.97 1p8x s VAL 431 CO 0.03 0.39 1.33 -2.65 0.00 0.00 0.00 175.10 174.20 1p8x n PRO 432 N 3.59 2.20 -3.42 2.72 -0.02 -1.26 -0.73 135.00 138.08 1p8x n PRO 432 Ca -0.21 0.77 -0.38 0.00 -2.02 0.00 0.00 63.50 61.66 1p8x n PRO 432 Cb 0.52 -2.38 -0.06 0.00 -0.02 0.00 0.00 33.50 31.56 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 -0.96 4.98 -0.46 -1.45 1.01 -0.31 -4.81 120.40 118.39 1p8x s VAL 433 Ca 0.57 0.94 -0.39 0.00 0.00 0.00 0.00 61.98 63.10 1p8x s VAL 433 Cb -0.56 -3.77 -0.16 0.00 0.00 0.00 0.00 36.38 31.89 1p8x s VAL 433 CO 0.61 0.54 2.19 -0.67 0.00 0.00 0.00 175.10 177.77 1p8x n ASP 434 N 2.05 1.32 0.10 3.32 4.64 -1.26 -4.78 116.55 121.94 1p8x n ASP 434 Ca -0.12 0.52 0.20 0.00 -1.38 0.00 0.00 54.79 54.01 1p8x n ASP 434 Cb 0.52 -1.06 0.68 0.00 -1.04 0.00 0.00 41.12 40.22 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 10.72 0.00 0.00 -0.67 0.11 -1.95 0.68 132.00 140.90 1p8x h PRO 435 Ca -0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.94 1p8x h PRO 435 Cb 1.37 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.48 1p8x h PRO 435 CO 1.08 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.87 1p8x n ALA 436 N -2.20 1.87 -0.28 -0.75 0.00 -1.26 -3.24 120.51 114.65 1p8x n ALA 436 Ca 0.08 0.02 0.06 0.00 0.00 0.00 0.00 53.44 53.60 1p8x n ALA 436 Cb 0.73 -1.39 0.16 0.00 0.00 0.00 0.00 19.45 18.95 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 -2.08 1.17 -1.67 0.00 -2.24 0.24 -5.01 114.28 104.69 1p8x n THR 437 Ca 0.04 -1.12 -0.48 0.00 -2.27 0.00 0.00 64.05 60.22 1p8x n THR 437 Cb 0.28 0.40 -0.05 0.00 -2.10 0.00 0.00 70.33 68.86 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 0.36 2.20 0.00 4.78 0.53 -1.20 -1.01 117.16 122.81 1p8x n TYR 438 Ca 0.13 0.24 0.00 0.00 -1.02 0.00 0.00 57.90 57.25 1p8x n TYR 438 Cb 0.48 -2.55 0.00 0.00 -1.03 0.00 0.00 39.34 36.24 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 3.64 1.42 3.58 2.72 0.00 -1.26 -5.01 105.19 110.28 1p8x n GLY 439 Ca 0.19 0.00 -0.35 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 -0.06 3.88 0.10 1.61 1.11 -0.18 -1.29 119.66 124.84 1p8x s GLN 440 Ca 0.00 -0.39 0.04 0.00 0.01 0.00 0.00 55.36 55.02 1p8x s GLN 440 Cb 0.00 -3.23 -0.04 0.00 -1.01 0.00 0.00 33.01 28.73 1p8x s GLN 440 CO 0.00 0.15 -0.10 -0.06 0.01 0.00 0.00 175.29 175.29 1p8x s PHE 441 N 0.69 1.10 -0.09 0.91 0.40 0.38 -4.96 117.98 116.41 1p8x s PHE 441 Ca 0.03 -0.67 -0.19 0.00 -0.60 0.00 0.00 56.93 55.50 1p8x s PHE 441 Cb -0.13 -0.60 -0.04 0.00 0.51 0.00 0.00 43.02 42.76 1p8x s PHE 441 CO 0.02 0.01 0.53 0.71 0.70 0.00 0.00 175.22 177.19 1p8x s TYR 442 N -2.55 3.55 -0.09 0.36 2.02 -1.26 -0.53 117.35 118.84 1p8x s TYR 442 Ca 0.07 0.99 0.30 0.00 -0.37 0.00 0.00 57.07 58.06 1p8x s TYR 442 Cb -0.02 -2.60 1.31 0.00 -0.40 0.00 0.00 41.96 40.25 1p8x s TYR 442 CO 0.00 0.18 1.89 0.78 -1.57 0.00 0.00 175.55 176.83 1p8x h GLY 443 N 6.58 0.00 -0.01 0.71 0.00 -0.89 -1.70 103.07 107.76 1p8x h GLY 443 Ca -0.42 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.91 1p8x h GLY 443 CO 0.75 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.90 1p8x n GLY 444 N -0.20 -0.32 3.53 4.60 0.00 -0.22 -0.34 105.19 112.24 1p8x n GLY 444 Ca 0.01 -0.35 -0.25 0.00 0.00 0.00 0.00 46.02 45.43 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 -1.92 3.77 -0.07 1.61 1.01 -0.64 -3.12 116.67 117.30 1p8x s ASP 445 Ca 0.40 -1.09 0.00 0.00 0.71 0.00 0.00 52.55 52.57 1p8x s ASP 445 Cb 0.20 -0.37 -0.03 0.00 1.01 0.00 0.00 42.92 43.73 1p8x s ASP 445 CO 0.33 -0.11 -0.04 -0.44 0.21 0.00 0.00 175.17 175.12 1p8x s SER 446 N -3.59 4.86 0.15 0.27 0.01 -1.26 -0.63 113.70 113.51 1p8x s SER 446 Ca 0.32 0.03 0.06 0.00 1.31 0.00 0.00 55.95 57.67 1p8x s SER 446 Cb -0.01 -1.27 -0.04 0.00 0.21 0.00 0.00 66.02 64.90 1p8x s SER 446 CO 0.16 0.36 -0.13 -0.31 0.41 0.00 0.00 173.24 173.74 1p8x s TYR 447 N -0.85 1.43 -0.11 2.43 1.51 0.88 -0.90 117.35 121.75 1p8x s TYR 447 Ca 0.13 -0.62 0.03 0.00 -1.01 0.00 0.00 57.07 55.61 1p8x s TYR 447 Cb -0.11 -0.72 0.00 0.00 -0.11 0.00 0.00 41.96 41.02 1p8x s TYR 447 CO 0.02 0.18 -0.22 0.42 -1.11 0.00 0.00 175.55 174.84 1p8x s ILE 448 N -2.67 1.94 -0.18 2.71 1.01 0.01 -0.78 121.20 123.24 1p8x s ILE 448 Ca 0.14 -0.94 0.01 0.00 0.00 0.00 0.00 60.65 59.86 1p8x s ILE 448 Cb -0.02 -1.69 0.02 0.00 0.01 0.00 0.00 42.46 40.78 1p8x s ILE 448 CO 0.03 0.53 -0.19 -0.63 0.00 0.00 0.00 174.94 174.69 1p8x s ILE 449 N 0.51 1.96 -0.32 2.92 1.01 0.16 -1.19 121.20 126.26 1p8x s ILE 449 Ca -0.15 -0.90 -0.11 0.00 0.00 0.00 0.00 60.65 59.50 1p8x s ILE 449 Cb -0.17 -1.79 -0.01 0.00 0.01 0.00 0.00 42.46 40.49 1p8x s ILE 449 CO 0.05 0.51 0.18 -0.22 0.00 0.00 0.00 174.94 175.46 1p8x s LEU 450 N 1.33 4.20 0.01 2.97 2.96 0.10 -0.66 118.68 129.59 1p8x s LEU 450 Ca 0.05 -0.46 0.07 0.00 -0.22 0.00 0.00 54.13 53.57 1p8x s LEU 450 Cb -0.13 -2.04 -0.02 0.00 0.50 0.00 0.00 46.19 44.49 1p8x s LEU 450 CO -0.12 -0.19 -0.22 -0.47 -1.32 0.00 0.00 176.35 174.02 1p8x s TYR 451 N 1.65 1.97 -0.16 5.38 5.04 -0.35 -1.30 117.35 129.58 1p8x s TYR 451 Ca 0.05 -0.38 -0.00 0.00 -2.44 0.00 0.00 57.07 54.30 1p8x s TYR 451 Cb -0.17 -1.22 -0.00 0.00 0.35 0.00 0.00 41.96 40.92 1p8x s TYR 451 CO 0.08 0.04 -0.14 -0.80 -1.34 0.00 0.00 175.55 173.38 1p8x s ASN 452 N -0.86 3.72 0.75 4.32 -0.87 -0.96 -0.73 114.94 120.31 1p8x s ASN 452 Ca 0.09 -0.46 -0.03 0.00 -1.57 0.00 0.00 52.86 50.89 1p8x s ASN 452 Cb -0.09 -1.58 0.14 0.00 -0.02 0.00 0.00 41.25 39.71 1p8x s ASN 452 CO 0.01 0.08 0.94 -1.22 -2.57 0.00 0.00 177.10 174.34 1p8x n TYR 453 N 4.07 -3.17 -3.29 2.20 4.02 0.02 -3.92 117.16 117.09 1p8x n TYR 453 Ca -0.19 -1.48 -0.07 0.00 -0.01 0.00 0.00 57.90 56.15 1p8x n TYR 453 Cb 0.52 -0.70 -0.06 0.00 -0.02 0.00 0.00 39.34 39.08 1p8x n TYR 453 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 176.86 176.35 1p8x s ARG 454 N -4.95 0.42 0.00 -0.72 6.06 -1.26 -4.90 118.95 113.59 1p8x s ARG 454 Ca 0.61 0.31 0.00 0.00 -2.50 0.00 0.00 55.73 54.15 1p8x s ARG 454 Cb -0.03 -0.25 0.00 0.00 0.06 0.00 0.00 34.95 34.73 1p8x s ARG 454 CO 0.41 -0.92 0.00 -2.39 -2.50 0.00 0.00 175.30 169.90 1p8x n HIS 455 N 5.37 0.00 -1.42 5.12 1.44 -1.26 -5.10 115.22 119.37 1p8x n HIS 455 Ca -0.00 0.00 -0.06 0.00 -2.01 0.00 0.00 57.72 55.65 1p8x n HIS 455 Cb 0.50 0.00 0.01 0.00 0.12 0.00 0.00 29.99 30.62 1p8x n HIS 455 CO 0.00 0.00 0.00 1.04 -2.81 0.00 0.00 176.34 174.57 1p8x n GLN 459 N 0.00 -0.32 0.25 -1.40 1.13 -1.26 -5.17 117.38 110.61 1p8x n GLN 459 Ca 0.00 0.27 0.14 0.00 -1.94 0.00 0.00 57.00 55.47 1p8x n GLN 459 Cb 0.00 -0.38 0.48 0.00 0.11 0.00 0.00 30.24 30.46 1p8x n GLN 459 CO 0.00 0.00 0.00 0.78 -1.44 0.00 0.00 177.06 176.40 1p8x h GLY 460 N 0.81 0.00 -4.04 1.08 0.00 -1.91 -3.42 103.07 95.59 1p8x h GLY 460 Ca -0.09 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.10 1p8x h GLY 460 CO 0.04 0.00 -0.69 1.20 0.00 0.00 0.00 176.54 177.09 1p8x s GLN 461 N -3.52 0.47 -0.06 4.80 -0.21 -1.26 -0.80 119.66 119.09 1p8x s GLN 461 Ca 0.03 -0.94 -0.05 0.00 0.02 0.00 0.00 55.36 54.42 1p8x s GLN 461 Cb 0.08 0.16 0.02 0.00 1.00 0.00 0.00 33.01 34.27 1p8x s GLN 461 CO 0.60 -0.08 0.15 -1.50 -2.12 0.00 0.00 175.29 172.34 1p8x s ILE 462 N -2.78 -0.01 -0.24 1.08 2.07 0.09 -1.14 121.20 120.27 1p8x s ILE 462 Ca -0.04 0.03 -0.07 0.00 -1.41 0.00 0.00 60.65 59.16 1p8x s ILE 462 Cb -0.00 -0.22 -0.03 0.00 0.13 0.00 0.00 42.46 42.34 1p8x s ILE 462 CO -0.06 0.01 0.06 -0.63 -1.91 0.00 0.00 174.94 172.41 1p8x s ILE 463 N 0.26 4.31 -0.20 2.00 1.01 0.50 -1.21 121.20 127.86 1p8x s ILE 463 Ca -0.02 -0.18 -0.08 0.00 0.00 0.00 0.00 60.65 60.38 1p8x s ILE 463 Cb -0.03 -3.00 -0.04 0.00 0.01 0.00 0.00 42.46 39.41 1p8x s ILE 463 CO -0.01 0.36 0.07 -0.31 0.00 0.00 0.00 174.94 175.06 1p8x s TYR 464 N 1.40 3.20 -0.25 3.97 2.02 0.16 -0.45 117.35 127.40 1p8x s TYR 464 Ca 0.05 -0.04 -0.10 0.00 -0.37 0.00 0.00 57.07 56.61 1p8x s TYR 464 Cb -0.15 -2.13 -0.05 0.00 -0.40 0.00 0.00 41.96 39.23 1p8x s TYR 464 CO 0.03 0.01 0.15 -0.80 -1.57 0.00 0.00 175.55 173.38 1p8x s ASN 465 N 0.75 5.97 -0.20 2.29 -0.87 0.46 -0.67 114.94 122.67 1p8x s ASN 465 Ca 0.04 0.05 -0.02 0.00 -1.57 0.00 0.00 52.86 51.35 1p8x s ASN 465 Cb -0.13 -2.08 -0.00 0.00 -0.02 0.00 0.00 41.25 39.01 1p8x s ASN 465 CO 0.02 0.03 -0.09 0.86 -2.57 0.00 0.00 177.10 175.35 1p8x s TRP 466 N 1.26 2.90 -0.37 2.20 -0.00 0.04 -0.11 118.94 124.85 1p8x s TRP 466 Ca 0.07 -1.10 -0.11 0.00 -0.00 0.00 0.00 56.10 54.96 1p8x s TRP 466 Cb -0.14 -2.03 0.02 0.00 -0.00 0.00 0.00 33.47 31.32 1p8x s TRP 466 CO 0.06 -0.58 0.21 -1.14 -0.00 0.00 0.00 176.95 175.50 1p8x s GLN 467 N 1.32 2.93 0.67 5.86 0.74 -0.16 -0.08 119.66 130.94 1p8x s GLN 467 Ca 0.04 -1.01 -0.17 0.00 0.05 0.00 0.00 55.36 54.26 1p8x s GLN 467 Cb -0.14 -3.75 0.00 0.00 1.10 0.00 0.00 33.01 30.22 1p8x s GLN 467 CO -0.05 -0.66 1.28 0.20 -0.55 0.00 0.00 175.29 175.51 1p8x s GLY 468 N 1.58 2.75 0.54 2.59 0.00 0.20 -1.29 107.32 113.69 1p8x s GLY 468 Ca 0.03 1.16 0.21 0.00 0.00 0.00 0.00 44.72 46.11 1p8x s GLY 468 CO 0.07 1.59 2.13 0.00 0.00 0.00 0.00 173.10 176.89 1p8x h ALA 469 N 0.30 2.01 -0.58 3.20 0.00 -1.73 -1.90 119.26 120.57 1p8x h ALA 469 Ca -0.50 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1p8x h ALA 469 Cb 1.33 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1p8x h ALA 469 CO 0.52 -0.15 0.00 1.04 0.00 0.00 0.00 179.25 180.66 1p8x n GLN 470 N -4.35 2.73 -1.99 0.00 3.00 0.54 -4.99 117.38 112.31 1p8x n GLN 470 Ca -0.00 -2.43 -0.40 0.00 -0.01 0.00 0.00 57.00 54.15 1p8x n GLN 470 Cb 0.20 -1.47 -0.01 0.00 0.00 0.00 0.00 30.24 28.97 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 -1.03 6.46 0.62 1.08 0.15 -0.71 -4.72 113.70 115.55 1p8x s SER 471 Ca 0.40 2.79 -0.05 0.00 0.70 0.00 0.00 55.95 59.79 1p8x s SER 471 Cb 0.21 -2.65 0.03 0.00 -1.71 0.00 0.00 66.02 61.90 1p8x s SER 471 CO 0.27 -0.76 0.91 0.42 1.20 0.00 0.00 173.24 175.28 1p8x s THR 472 N -1.17 3.08 0.34 6.45 -4.23 -1.26 -4.93 115.64 113.92 1p8x s THR 472 Ca 0.53 -0.21 0.03 0.00 -1.18 0.00 0.00 61.69 60.86 1p8x s THR 472 Cb -0.41 -3.24 0.21 0.00 1.34 0.00 0.00 72.50 70.39 1p8x s THR 472 CO 0.55 -0.24 1.94 -0.61 -0.54 0.00 0.00 174.62 175.72 1p8x h GLN 473 N -0.25 0.66 -0.75 3.99 5.75 -1.99 -1.71 115.11 120.81 1p8x h GLN 473 Ca -0.45 -0.09 0.01 0.00 -0.15 0.00 0.00 58.65 57.97 1p8x h GLN 473 Cb 1.28 -0.12 -0.04 0.00 1.07 0.00 0.00 27.48 29.67 1p8x h GLN 473 CO 0.59 0.55 0.50 0.38 -2.65 0.00 0.00 178.83 178.20 1p8x h ASP 474 N 0.66 0.87 -0.31 -0.69 -0.00 -1.99 0.15 116.42 115.11 1p8x h ASP 474 Ca 0.16 -0.02 -0.08 0.00 -0.00 0.00 0.00 57.03 57.09 1p8x h ASP 474 Cb 0.14 -0.22 -0.02 0.00 -0.00 0.00 0.00 39.33 39.23 1p8x h ASP 474 CO -0.02 0.63 -0.08 -0.33 -0.00 0.00 0.00 179.24 179.44 1p8x h GLU 475 N 1.02 0.71 -0.42 4.15 5.08 -1.76 0.24 114.58 123.60 1p8x h GLU 475 Ca 0.28 -0.21 -0.10 0.00 -1.00 0.00 0.00 59.36 58.32 1p8x h GLU 475 Cb -0.12 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.05 1p8x h GLU 475 CO -0.06 0.78 -0.12 0.28 -1.00 0.00 0.00 179.01 178.89 1p8x h VAL 476 N 0.66 1.27 -0.30 3.13 2.07 -0.65 0.14 116.25 122.56 1p8x h VAL 476 Ca 0.12 -1.23 -0.03 0.00 0.82 0.00 0.00 66.70 66.38 1p8x h VAL 476 Cb 0.52 1.19 -0.01 0.00 -1.52 0.00 0.00 31.29 31.47 1p8x h VAL 476 CO 0.03 0.41 0.05 0.00 0.02 0.00 0.00 177.57 178.09 1p8x h ALA 477 N 0.85 0.40 -0.62 1.67 0.00 -0.36 -2.43 119.26 118.77 1p8x h ALA 477 Ca 0.10 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.83 1p8x h ALA 477 Cb 0.65 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 1p8x h ALA 477 CO 0.04 0.09 0.41 0.00 0.00 0.00 0.00 179.25 179.79 1p8x h ALA 478 N 0.88 1.56 -0.71 0.00 0.00 -0.39 -2.29 119.26 118.31 1p8x h ALA 478 Ca 0.09 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1p8x h ALA 478 Cb 0.33 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1p8x h ALA 478 CO 0.01 0.41 0.38 1.03 0.00 0.00 0.00 179.25 181.08 1p8x h SER 479 N 0.84 0.89 -0.93 0.00 0.87 -0.27 -1.62 113.55 113.33 1p8x h SER 479 Ca 0.23 -0.10 -0.00 0.00 -1.23 0.00 0.00 61.79 60.69 1p8x h SER 479 Cb -0.10 -0.23 -0.05 0.00 -0.44 0.00 0.00 62.40 61.59 1p8x h SER 479 CO -0.05 0.73 0.57 0.00 -0.53 0.00 0.00 176.83 177.55 1p8x h ALA 480 N 1.19 1.25 -0.05 6.23 0.00 -1.02 0.26 119.26 127.11 1p8x h ALA 480 Ca 0.25 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1p8x h ALA 480 Cb 0.04 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 17.46 1p8x h ALA 480 CO -0.04 0.65 -0.04 0.82 0.00 0.00 0.00 179.25 180.64 1p8x h ILE 481 N 1.28 1.35 -0.12 0.00 2.04 -1.37 -2.12 117.51 118.57 1p8x h ILE 481 Ca 0.34 -1.11 -0.04 0.00 1.00 0.00 0.00 64.86 65.04 1p8x h ILE 481 Cb -0.07 1.98 -0.01 0.00 -0.74 0.00 0.00 36.82 37.98 1p8x h ILE 481 CO -0.06 0.30 -0.12 -0.07 0.00 0.00 0.00 178.15 178.20 1p8x h LEU 482 N -0.29 0.17 -0.07 1.44 3.38 -1.10 -0.87 115.31 117.96 1p8x h LEU 482 Ca 0.01 -0.03 -0.25 0.00 0.09 0.00 0.00 57.88 57.70 1p8x h LEU 482 Cb 0.51 -0.04 0.02 0.00 0.09 0.00 0.00 40.66 41.23 1p8x h LEU 482 CO 0.01 0.32 -0.91 0.74 0.09 0.00 0.00 178.44 178.68 1p8x h THR 483 N 0.17 1.28 -0.31 0.22 2.02 -0.94 -1.35 112.91 113.99 1p8x h THR 483 Ca 0.04 -2.11 -0.07 0.00 0.77 0.00 0.00 66.41 65.03 1p8x h THR 483 Cb 0.33 2.20 -0.02 0.00 -1.74 0.00 0.00 68.15 68.93 1p8x h THR 483 CO 0.02 0.66 -0.12 0.00 0.37 0.00 0.00 175.52 176.45 1p8x h ALA 484 N 0.47 1.20 -0.23 6.16 0.00 -1.11 0.20 119.26 125.95 1p8x h ALA 484 Ca -0.09 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.51 1p8x h ALA 484 Cb 1.56 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.20 1p8x h ALA 484 CO 0.18 0.51 0.02 1.96 0.00 0.00 0.00 179.25 181.92 1p8x h GLN 485 N 0.50 0.39 -0.55 0.00 4.20 -1.09 -1.74 115.11 116.82 1p8x h GLN 485 Ca 0.09 -0.11 -0.06 0.00 0.06 0.00 0.00 58.65 58.63 1p8x h GLN 485 Cb 0.51 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.22 1p8x h GLN 485 CO 0.03 0.55 0.11 1.25 -0.67 0.00 0.00 178.83 180.10 1p8x h LEU 486 N 0.17 0.80 0.29 1.46 5.85 -0.83 -0.94 115.31 122.11 1p8x h LEU 486 Ca 0.07 -0.15 -0.00 0.00 0.84 0.00 0.00 57.88 58.63 1p8x h LEU 486 Cb 0.37 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 1p8x h LEU 486 CO 0.01 0.80 -0.23 -0.78 -0.34 0.00 0.00 178.44 177.90 1p8x h ASP 487 N 0.82 -0.59 -0.49 1.25 -0.00 -0.48 -1.35 116.42 115.58 1p8x h ASP 487 Ca 0.18 0.05 0.05 0.00 -0.00 0.00 0.00 57.03 57.31 1p8x h ASP 487 Cb 0.33 0.19 -0.05 0.00 -0.00 0.00 0.00 39.33 39.80 1p8x h ASP 487 CO 0.00 -0.35 0.22 -0.08 -0.00 0.00 0.00 179.24 179.03 1p8x h GLU 488 N -0.53 0.41 -0.55 0.28 4.81 -1.02 -0.39 114.58 117.60 1p8x h GLU 488 Ca -0.02 -0.02 0.07 0.00 -0.13 0.00 0.00 59.36 59.25 1p8x h GLU 488 Cb 0.46 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.72 1p8x h GLU 488 CO -0.01 0.27 0.37 1.49 -0.73 0.00 0.00 179.01 180.40 1p8x h GLU 489 N 0.42 0.46 -0.21 1.92 4.81 -0.85 -1.93 114.58 119.22 1p8x h GLU 489 Ca 0.23 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.43 1p8x h GLU 489 Cb 0.19 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.46 1p8x h GLU 489 CO -0.20 0.31 0.00 1.28 -0.73 0.00 0.00 179.01 179.67 1p8x n LEU 490 N -4.47 1.68 0.00 1.64 4.32 -0.54 -4.91 117.00 114.71 1p8x n LEU 490 Ca 0.08 -0.74 0.00 0.00 -0.02 0.00 0.00 56.01 55.33 1p8x n LEU 490 Cb 0.27 -0.14 0.00 0.00 -1.62 0.00 0.00 43.42 41.93 1p8x n LEU 490 CO 0.34 0.37 0.00 0.61 -1.22 0.00 0.00 177.39 177.49 1p8x n GLY 491 N 1.10 0.47 2.40 -0.72 0.00 -0.72 -4.10 105.19 103.63 1p8x n GLY 491 Ca 0.15 -0.94 -0.17 0.00 0.00 0.00 0.00 46.02 45.06 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 -2.77 -0.24 0.58 -0.02 0.00 -0.24 -4.90 105.19 97.60 1p8x n GLY 492 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.11 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 -3.51 0.00 -2.94 2.61 -2.24 -1.26 -5.00 114.28 101.94 1p8x n THR 493 Ca -0.20 -0.43 -0.29 0.00 -2.27 0.00 0.00 64.05 60.87 1p8x n THR 493 Cb 0.64 1.30 -0.02 0.00 -2.10 0.00 0.00 70.33 70.15 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 -1.66 3.65 0.52 -0.78 0.04 -1.26 -4.75 135.00 130.76 1p8x s PRO 494 Ca 0.18 0.23 -0.20 0.00 0.04 0.00 0.00 61.00 61.25 1p8x s PRO 494 Cb 0.14 -2.46 -0.07 0.00 0.04 0.00 0.00 34.50 32.15 1p8x s PRO 494 CO 0.30 -0.02 1.09 0.08 0.04 0.00 0.00 177.00 178.49 1p8x s VAL 495 N -2.41 3.45 -0.04 -0.36 1.01 -0.29 -4.85 120.40 116.92 1p8x s VAL 495 Ca 0.48 0.90 0.06 0.00 0.00 0.00 0.00 61.98 63.42 1p8x s VAL 495 Cb -0.10 -3.36 -0.01 0.00 0.00 0.00 0.00 36.38 32.90 1p8x s VAL 495 CO 0.35 -0.20 -0.23 -1.10 0.00 0.00 0.00 175.10 173.92 1p8x s GLN 496 N -3.28 2.14 -0.06 2.72 -0.21 -1.26 -0.37 119.66 119.34 1p8x s GLN 496 Ca 0.70 -0.84 -0.02 0.00 0.02 0.00 0.00 55.36 55.22 1p8x s GLN 496 Cb -0.20 -1.94 0.04 0.00 1.00 0.00 0.00 33.01 31.91 1p8x s GLN 496 CO 0.24 0.43 0.09 0.45 -2.12 0.00 0.00 175.29 174.38 1p8x s SER 497 N -0.34 1.04 -0.23 5.90 0.15 0.40 -4.94 113.70 115.69 1p8x s SER 497 Ca 0.03 0.14 -0.11 0.00 0.70 0.00 0.00 55.95 56.72 1p8x s SER 497 Cb -0.11 -0.02 -0.05 0.00 -1.71 0.00 0.00 66.02 64.13 1p8x s SER 497 CO 0.01 -0.25 0.17 -0.60 1.20 0.00 0.00 173.24 173.77 1p8x s ARG 498 N 2.21 4.10 0.06 5.44 3.00 -1.26 -0.40 118.95 132.09 1p8x s ARG 498 Ca 0.04 -0.24 0.02 0.00 -1.00 0.00 0.00 55.73 54.56 1p8x s ARG 498 Cb -0.12 -3.52 -0.03 0.00 0.00 0.00 0.00 34.95 31.28 1p8x s ARG 498 CO -0.04 0.10 -0.07 0.14 0.00 0.00 0.00 175.30 175.43 1p8x s VAL 499 N 0.93 0.59 0.20 7.11 -7.23 0.85 -4.93 120.40 117.92 1p8x s VAL 499 Ca 0.08 -1.43 0.09 0.00 -1.81 0.00 0.00 61.98 58.91 1p8x s VAL 499 Cb -0.13 -1.04 -0.04 0.00 0.56 0.00 0.00 36.38 35.72 1p8x s VAL 499 CO 0.03 -0.58 -0.06 0.68 -0.31 0.00 0.00 175.10 174.86 1p8x s VAL 500 N -2.30 3.31 0.10 1.32 -7.23 -1.26 -0.98 120.40 113.36 1p8x s VAL 500 Ca -0.01 -1.70 -0.36 0.00 -1.81 0.00 0.00 61.98 58.10 1p8x s VAL 500 Cb -0.04 -2.68 -0.17 0.00 0.56 0.00 0.00 36.38 34.06 1p8x s VAL 500 CO -0.02 -0.18 1.27 1.67 -0.31 0.00 0.00 175.10 177.53 1p8x n GLN 501 N -0.22 1.06 0.00 4.82 7.27 -0.41 -1.39 117.38 128.51 1p8x n GLN 501 Ca -0.09 0.38 0.00 0.00 0.07 0.00 0.00 57.00 57.36 1p8x n GLN 501 Cb 0.56 -1.97 0.00 0.00 2.41 0.00 0.00 30.24 31.24 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 2.31 2.40 1.07 1.69 0.00 -1.26 -4.84 105.19 106.56 1p8x n GLY 502 Ca 0.18 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.17 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 1.86 -2.44 1.61 4.76 -0.48 -0.94 118.16 120.52 1p8x n LYS 503 Ca 0.00 -3.17 -0.40 0.00 -2.87 0.00 0.00 58.31 51.86 1p8x n LYS 503 Cb 0.00 -1.79 -0.04 0.00 -1.84 0.00 0.00 35.03 31.36 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 -3.22 4.61 0.66 1.97 8.01 -1.25 -4.67 118.70 124.81 1p8x s GLU 504 Ca 0.44 1.84 -0.12 0.00 0.01 0.00 0.00 54.97 57.14 1p8x s GLU 504 Cb 0.40 -3.18 -0.01 0.00 -4.31 0.00 0.00 34.13 27.03 1p8x s GLU 504 CO -0.01 0.17 1.05 -2.14 0.01 0.00 0.00 175.26 174.34 1p8x s PRO 505 N -1.43 3.11 0.38 0.39 0.02 -1.26 -4.86 135.00 131.36 1p8x s PRO 505 Ca 0.45 0.96 0.13 0.00 0.02 0.00 0.00 61.00 62.57 1p8x s PRO 505 Cb -0.33 -2.01 0.96 0.00 0.02 0.00 0.00 34.50 33.14 1p8x s PRO 505 CO 0.42 -0.96 1.85 0.00 -0.33 0.00 0.00 177.00 177.98 1p8x h ALA 506 N -0.45 2.02 -0.57 -1.55 0.00 -1.99 -1.32 119.26 115.41 1p8x h ALA 506 Ca -0.44 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.44 1p8x h ALA 506 Cb 1.21 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 1p8x h ALA 506 CO 0.58 -0.31 0.15 1.25 0.00 0.00 0.00 179.25 180.91 1p8x h HIS 507 N 0.54 0.95 -0.60 0.00 -0.00 -1.95 -1.49 115.15 112.60 1p8x h HIS 507 Ca 0.48 -0.11 -0.06 0.00 -0.00 0.00 0.00 60.37 60.67 1p8x h HIS 507 Cb 1.00 -0.27 -0.03 0.00 -0.00 0.00 0.00 27.41 28.11 1p8x h HIS 507 CO -0.00 0.81 0.12 1.25 -0.00 0.00 0.00 177.93 180.12 1p8x h LEU 508 N 0.82 0.89 -1.66 0.26 5.85 -1.62 -2.28 115.31 117.57 1p8x h LEU 508 Ca 0.18 -0.18 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 1p8x h LEU 508 Cb 0.33 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.12 1p8x h LEU 508 CO 0.00 0.88 -0.16 0.24 -0.34 0.00 0.00 178.44 179.06 1p8x h MET 509 N 0.90 0.00 0.00 1.25 2.86 -0.86 -2.26 114.93 116.82 1p8x h MET 509 Ca 0.19 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.83 1p8x h MET 509 Cb 0.35 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.01 1p8x h MET 509 CO 0.00 0.16 -0.03 -1.13 1.06 0.00 0.00 176.91 176.98 1p8x n SER 510 N -3.55 0.27 0.13 1.22 3.41 -0.61 -3.84 113.62 110.65 1p8x n SER 510 Ca -0.01 0.49 0.10 0.00 -0.26 0.00 0.00 58.87 59.19 1p8x n SER 510 Cb 0.30 -0.56 0.49 0.00 -0.26 0.00 0.00 64.21 64.19 1p8x n SER 510 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1p8x n LEU 511 N -1.74 0.52 -2.15 1.04 4.32 -0.85 -3.28 117.00 114.86 1p8x n LEU 511 Ca 0.06 0.69 -0.29 0.00 -0.02 0.00 0.00 56.01 56.46 1p8x n LEU 511 Cb 0.37 -0.70 0.08 0.00 -1.62 0.00 0.00 43.42 41.55 1p8x n LEU 511 CO 0.28 -0.75 1.03 0.49 -1.22 0.00 0.00 177.39 177.23 1p8x n PHE 512 N -2.15 2.92 -2.83 -1.77 3.01 -1.25 -4.89 117.46 110.51 1p8x n PHE 512 Ca 0.00 -2.61 -0.16 0.00 1.01 0.00 0.00 57.45 55.69 1p8x n PHE 512 Cb 0.10 -1.03 -0.00 0.00 -0.01 0.00 0.00 39.48 38.54 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 -0.90 -0.49 1.14 1.37 0.00 -1.21 -0.81 105.19 104.29 1p8x n GLY 513 Ca 0.55 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.61 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 -0.94 1.41 3.81 -0.02 0.00 -1.26 -5.05 105.19 103.14 1p8x n GLY 514 Ca -0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.64 3.46 0.66 1.61 3.01 0.01 -5.00 119.74 122.85 1p8x s LYS 515 Ca 0.00 1.19 -0.11 0.00 -1.01 0.00 0.00 55.97 56.04 1p8x s LYS 515 Cb 0.00 -2.05 -0.01 0.00 -1.01 0.00 0.00 37.83 34.75 1p8x s LYS 515 CO 0.00 -0.69 1.05 -1.25 0.51 0.00 0.00 175.35 174.96 1p8x s PRO 516 N -3.98 3.23 0.08 -1.68 0.04 -1.26 -4.73 135.00 126.69 1p8x s PRO 516 Ca 0.63 0.86 -0.30 0.00 0.04 0.00 0.00 61.00 62.23 1p8x s PRO 516 Cb -0.15 -2.03 -0.05 0.00 0.04 0.00 0.00 34.50 32.31 1p8x s PRO 516 CO 0.34 -0.87 0.97 1.41 0.04 0.00 0.00 177.00 178.89 1p8x s MET 517 N -5.11 4.65 -0.14 4.56 1.75 -0.54 -4.82 119.30 119.66 1p8x s MET 517 Ca 0.57 1.44 -0.01 0.00 -1.25 0.00 0.00 55.69 56.44 1p8x s MET 517 Cb -0.13 -3.40 -0.01 0.00 2.84 0.00 0.00 34.83 34.13 1p8x s MET 517 CO 0.55 0.13 -0.12 0.42 -0.65 0.00 0.00 175.02 175.34 1p8x s ILE 518 N 0.33 3.10 -0.23 10.11 1.01 -0.41 -0.83 121.20 134.27 1p8x s ILE 518 Ca 0.49 -0.64 0.02 0.00 0.00 0.00 0.00 60.65 60.51 1p8x s ILE 518 Cb -0.23 -2.31 0.05 0.00 0.01 0.00 0.00 42.46 39.98 1p8x s ILE 518 CO 0.29 0.51 -0.11 -0.63 0.00 0.00 0.00 174.94 175.01 1p8x s ILE 519 N 0.48 1.89 0.48 2.92 1.09 0.06 -0.47 121.20 127.65 1p8x s ILE 519 Ca -0.09 -1.30 -0.12 0.00 -1.10 0.00 0.00 60.65 58.05 1p8x s ILE 519 Cb -0.16 -1.98 -0.06 0.00 -1.06 0.00 0.00 42.46 39.20 1p8x s ILE 519 CO 0.04 0.08 0.89 -0.31 -0.10 0.00 0.00 174.94 175.54 1p8x s TYR 520 N 1.26 3.50 0.60 3.97 4.12 0.31 -0.87 117.35 130.25 1p8x s TYR 520 Ca -0.05 1.21 -0.14 0.00 0.02 0.00 0.00 57.07 58.11 1p8x s TYR 520 Cb -0.18 -2.59 -0.04 0.00 -1.52 0.00 0.00 41.96 37.63 1p8x s TYR 520 CO -0.07 -0.31 1.04 0.15 0.02 0.00 0.00 175.55 176.38 1p8x s LYS 521 N -4.23 3.41 2.40 -0.62 1.02 -1.26 -0.48 119.74 119.99 1p8x s LYS 521 Ca 0.54 1.02 0.00 0.00 0.02 0.00 0.00 55.97 57.55 1p8x s LYS 521 Cb -0.10 -2.05 0.00 0.00 -0.52 0.00 0.00 37.83 35.15 1p8x s LYS 521 CO 0.36 -0.72 0.00 0.41 -0.92 0.00 0.00 175.35 174.48 1p8x n GLY 522 N -1.61 -0.78 0.00 -3.33 0.00 -1.26 -4.75 105.19 93.46 1p8x n GLY 522 Ca 0.08 -1.25 0.00 0.00 0.00 0.00 0.00 46.02 44.84 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 0.21 3.26 -0.02 0.00 -1.26 -1.05 105.19 106.33 1p8x n GLY 523 Ca 0.00 -1.01 -0.15 0.00 0.00 0.00 0.00 46.02 44.86 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 -3.50 1.27 0.07 2.61 -1.32 -1.26 -0.15 115.64 113.35 1p8x s THR 524 Ca 0.00 -2.05 -0.13 0.00 -1.21 0.00 0.00 61.69 58.30 1p8x s THR 524 Cb 0.00 -1.84 0.02 0.00 -1.51 0.00 0.00 72.50 69.17 1p8x s THR 524 CO 0.00 -0.69 0.29 -0.94 -2.21 0.00 0.00 174.62 171.07 1p8x s SER 525 N -3.12 -0.08 0.19 8.08 1.04 -1.13 -4.87 113.70 113.81 1p8x s SER 525 Ca 0.17 -0.34 -0.13 0.00 0.48 0.00 0.00 55.95 56.14 1p8x s SER 525 Cb 0.01 0.37 0.19 0.00 0.10 0.00 0.00 66.02 66.70 1p8x s SER 525 CO 0.02 -0.69 1.72 -0.09 0.98 0.00 0.00 173.24 175.18 1p8x h ARG 526 N 2.94 0.26 0.14 4.02 2.43 -1.97 -0.41 114.38 121.79 1p8x h ARG 526 Ca -0.33 -0.02 -0.26 0.00 -0.81 0.00 0.00 59.98 58.56 1p8x h ARG 526 Cb 1.21 -0.06 0.03 0.00 -0.42 0.00 0.00 29.97 30.73 1p8x h ARG 526 CO 0.49 0.17 -1.12 0.93 -1.51 0.00 0.00 179.97 178.94 1p8x h GLU 527 N 0.27 0.51 -0.00 0.20 3.07 -2.05 -3.39 114.58 113.18 1p8x h GLU 527 Ca 0.25 -0.74 0.00 0.00 -0.50 0.00 0.00 59.36 58.38 1p8x h GLU 527 Cb 0.32 0.25 0.00 0.00 -0.84 0.00 0.00 28.75 28.48 1p8x h GLU 527 CO -0.31 1.33 -0.82 0.41 -1.40 0.00 0.00 179.01 178.23 1p8x n GLY 528 N 1.48 -0.70 7.00 -3.84 0.00 -1.17 -5.09 105.19 102.86 1p8x n GLY 528 Ca -0.14 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.28 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 1.47 -0.90 3.72 -0.02 0.00 -0.17 -4.75 105.19 104.55 1p8x n GLY 529 Ca 0.06 -1.07 -0.42 0.00 0.00 0.00 0.00 46.02 44.59 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 4.45 0.61 1.61 2.00 -1.26 -2.83 119.66 124.24 1p8x s GLN 530 Ca 0.00 1.84 -0.14 0.00 -2.00 0.00 0.00 55.36 55.07 1p8x s GLN 530 Cb 0.00 -3.29 -0.03 0.00 0.80 0.00 0.00 33.01 30.49 1p8x s GLN 530 CO 0.00 -0.19 1.04 0.95 -0.50 0.00 0.00 175.29 176.59 1p8x s THR 531 N 0.54 4.21 0.06 -0.34 -4.23 0.78 -4.99 115.64 111.66 1p8x s THR 531 Ca 0.56 0.89 0.01 0.00 -1.18 0.00 0.00 61.69 61.97 1p8x s THR 531 Cb -0.32 -3.56 -0.04 0.00 1.34 0.00 0.00 72.50 69.93 1p8x s THR 531 CO 0.33 -0.77 0.14 0.00 -0.54 0.00 0.00 174.62 173.78 1p8x s ALA 532 N -2.80 3.78 0.48 3.99 0.00 -1.26 -4.83 121.76 121.12 1p8x s ALA 532 Ca 0.59 -0.91 -0.23 0.00 0.00 0.00 0.00 51.96 51.42 1p8x s ALA 532 Cb -0.13 -1.65 -0.07 0.00 0.00 0.00 0.00 23.12 21.28 1p8x s ALA 532 CO 0.44 0.78 1.20 -2.14 0.00 0.00 0.00 175.76 176.04 1p8x s PRO 533 N -2.35 3.64 0.77 0.00 0.02 -1.26 -5.02 135.00 130.80 1p8x s PRO 533 Ca 0.31 1.86 -0.11 0.00 0.02 0.00 0.00 61.00 63.08 1p8x s PRO 533 Cb -0.13 -2.38 0.05 0.00 0.02 0.00 0.00 34.50 32.07 1p8x s PRO 533 CO 0.24 -0.67 1.09 0.00 -0.33 0.00 0.00 177.00 177.32 1p8x s ALA 534 N -1.50 2.27 -0.10 -1.55 0.00 -1.26 -4.96 121.76 114.66 1p8x s ALA 534 Ca 0.65 0.24 0.14 0.00 0.00 0.00 0.00 51.96 52.98 1p8x s ALA 534 Cb -0.31 -3.26 -0.01 0.00 0.00 0.00 0.00 23.12 19.54 1p8x s ALA 534 CO 0.37 -1.74 1.33 0.66 0.00 0.00 0.00 175.76 176.38 1p8x h SER 535 N -1.10 0.00 -3.30 0.00 4.64 -1.95 -3.42 113.55 108.42 1p8x h SER 535 Ca -0.44 0.00 -0.66 0.00 -0.47 0.00 0.00 61.79 60.22 1p8x h SER 535 Cb 1.23 0.00 -0.33 0.00 -0.31 0.00 0.00 62.40 62.99 1p8x h SER 535 CO 0.52 0.60 -0.87 -0.89 -0.87 0.00 0.00 176.83 175.32 1p8x s THR 536 N -2.91 1.96 0.05 2.95 2.01 -1.26 -3.49 115.64 114.95 1p8x s THR 536 Ca 0.02 -0.95 0.04 0.00 0.31 0.00 0.00 61.69 61.12 1p8x s THR 536 Cb 0.08 -1.72 -0.02 0.00 0.01 0.00 0.00 72.50 70.85 1p8x s THR 536 CO 0.77 0.54 -0.12 -0.13 -0.69 0.00 0.00 174.62 174.98 1p8x s ARG 537 N 0.55 0.76 -0.02 4.92 0.52 0.28 -4.78 118.95 121.18 1p8x s ARG 537 Ca -0.14 -0.81 0.05 0.00 -0.52 0.00 0.00 55.73 54.31 1p8x s ARG 537 Cb -0.17 -0.71 -0.01 0.00 0.52 0.00 0.00 34.95 34.58 1p8x s ARG 537 CO 0.05 0.16 -0.17 -1.17 0.02 0.00 0.00 175.30 174.19 1p8x s LEU 538 N -1.44 2.02 -0.02 2.53 2.96 -1.25 -0.81 118.68 122.67 1p8x s LEU 538 Ca -0.03 -0.31 0.04 0.00 -0.22 0.00 0.00 54.13 53.61 1p8x s LEU 538 Cb -0.09 -0.87 -0.00 0.00 0.50 0.00 0.00 46.19 45.73 1p8x s LEU 538 CO 0.01 0.20 -0.13 -0.36 -1.32 0.00 0.00 176.35 174.75 1p8x s PHE 539 N -0.34 1.24 -0.19 5.38 0.40 0.16 -0.80 117.98 123.83 1p8x s PHE 539 Ca 0.05 -0.29 -0.15 0.00 -0.60 0.00 0.00 56.93 55.93 1p8x s PHE 539 Cb -0.07 -0.83 -0.04 0.00 0.51 0.00 0.00 43.02 42.58 1p8x s PHE 539 CO -0.00 -0.08 0.38 -1.14 0.70 0.00 0.00 175.22 175.07 1p8x s GLN 540 N -0.04 4.20 -0.26 0.44 0.74 0.47 -1.42 119.66 123.78 1p8x s GLN 540 Ca -0.00 0.18 -0.03 0.00 0.05 0.00 0.00 55.36 55.56 1p8x s GLN 540 Cb -0.08 -3.51 0.02 0.00 1.10 0.00 0.00 33.01 30.54 1p8x s GLN 540 CO 0.00 0.03 -0.02 0.08 -0.55 0.00 0.00 175.29 174.83 1p8x s VAL 541 N 1.10 3.18 -0.02 1.34 1.01 0.61 -0.50 120.40 127.12 1p8x s VAL 541 Ca 0.19 -0.92 0.03 0.00 0.00 0.00 0.00 61.98 61.28 1p8x s VAL 541 Cb -0.14 -2.62 -0.00 0.00 0.00 0.00 0.00 36.38 33.62 1p8x s VAL 541 CO 0.07 0.17 -0.11 -0.60 0.00 0.00 0.00 175.10 174.64 1p8x s ARG 542 N 1.38 0.99 0.07 2.72 3.52 -0.47 -2.70 118.95 124.45 1p8x s ARG 542 Ca 0.01 -0.38 0.08 0.00 -0.13 0.00 0.00 55.73 55.31 1p8x s ARG 542 Cb -0.17 -0.94 -0.03 0.00 -1.56 0.00 0.00 34.95 32.25 1p8x s ARG 542 CO -0.03 0.20 -0.20 0.00 -0.81 0.00 0.00 175.30 174.47 1p8x s ALA 543 N -0.09 2.56 0.77 6.12 0.00 -1.26 -0.91 121.76 128.94 1p8x s ALA 543 Ca 0.01 -1.26 -0.04 0.00 0.00 0.00 0.00 51.96 50.67 1p8x s ALA 543 Cb -0.06 -0.66 0.13 0.00 0.00 0.00 0.00 23.12 22.53 1p8x s ALA 543 CO 0.00 0.57 0.82 0.27 0.00 0.00 0.00 175.76 177.42 1p8x n ASN 544 N 1.34 0.67 0.28 0.00 0.23 -0.03 -4.88 115.26 112.86 1p8x n ASN 544 Ca -0.16 -1.67 0.12 0.00 -0.53 0.00 0.00 54.58 52.34 1p8x n ASN 544 Cb 0.52 -0.57 0.79 0.00 -2.08 0.00 0.00 39.78 38.44 1p8x n ASN 544 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 1p8x h SER 545 N -0.73 0.00 0.66 0.53 4.64 -1.99 -0.16 113.55 116.50 1p8x h SER 545 Ca -0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 1p8x h SER 545 Cb 0.89 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.98 1p8x h SER 545 CO 0.25 0.04 -0.20 0.00 -0.87 0.00 0.00 176.83 176.05 1p8x n ALA 546 N -2.37 2.87 -0.01 5.18 0.00 -1.26 -4.93 120.51 119.98 1p8x n ALA 546 Ca -0.03 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.18 1p8x n ALA 546 Cb 0.13 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.27 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 1.44 0.41 3.73 0.00 0.00 -0.07 -5.06 105.19 105.64 1p8x n GLY 547 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.03 3.59 -0.05 4.61 0.00 -1.26 -4.71 121.76 121.91 1p8x s ALA 548 Ca 0.00 1.17 0.06 0.00 0.00 0.00 0.00 51.96 53.18 1p8x s ALA 548 Cb 0.00 -3.53 -0.02 0.00 0.00 0.00 0.00 23.12 19.57 1p8x s ALA 548 CO 0.00 -0.62 -0.22 0.99 0.00 0.00 0.00 175.76 175.91 1p8x s THR 549 N 0.66 2.37 -0.06 0.00 2.01 -1.26 -0.85 115.64 118.49 1p8x s THR 549 Ca 0.62 -0.97 0.04 0.00 0.31 0.00 0.00 61.69 61.69 1p8x s THR 549 Cb -0.38 -1.88 -0.00 0.00 0.01 0.00 0.00 72.50 70.25 1p8x s THR 549 CO 0.34 0.57 -0.19 -0.13 -0.69 0.00 0.00 174.62 174.53 1p8x s ARG 550 N -0.39 2.17 -0.32 4.92 0.52 -0.09 -1.46 118.95 124.30 1p8x s ARG 550 Ca 0.03 -0.68 -0.02 0.00 -0.52 0.00 0.00 55.73 54.54 1p8x s ARG 550 Cb -0.12 -1.79 0.06 0.00 0.52 0.00 0.00 34.95 33.62 1p8x s ARG 550 CO 0.02 0.21 0.04 0.00 0.02 0.00 0.00 175.30 175.58 1p8x s ALA 551 N 0.20 2.89 -0.19 2.13 0.00 -0.01 -1.37 121.76 125.40 1p8x s ALA 551 Ca -0.09 -1.89 -0.04 0.00 0.00 0.00 0.00 51.96 49.94 1p8x s ALA 551 Cb -0.14 -2.04 -0.02 0.00 0.00 0.00 0.00 23.12 20.92 1p8x s ALA 551 CO 0.04 -1.36 -0.02 0.08 0.00 0.00 0.00 175.76 174.50 1p8x s VAL 552 N 1.24 3.82 0.17 0.00 1.01 0.35 -0.76 120.40 126.23 1p8x s VAL 552 Ca -0.03 -0.36 -0.30 0.00 0.00 0.00 0.00 61.98 61.29 1p8x s VAL 552 Cb -0.20 -2.71 -0.08 0.00 0.00 0.00 0.00 36.38 33.39 1p8x s VAL 552 CO -0.01 0.44 1.27 -0.70 0.00 0.00 0.00 175.10 176.10 1p8x s GLU 553 N 0.91 4.42 0.35 2.72 2.12 -0.05 -0.40 118.70 128.77 1p8x s GLU 553 Ca 0.00 1.97 0.04 0.00 0.36 0.00 0.00 54.97 57.34 1p8x s GLU 553 Cb -0.14 -3.23 -0.03 0.00 0.26 0.00 0.00 34.13 30.98 1p8x s GLU 553 CO 0.02 -0.22 0.15 0.14 -0.54 0.00 0.00 175.26 174.81 1p8x s VAL 554 N 0.26 0.47 0.35 3.70 -7.23 0.02 -4.66 120.40 113.32 1p8x s VAL 554 Ca 0.56 -2.00 -0.28 0.00 -1.81 0.00 0.00 61.98 58.45 1p8x s VAL 554 Cb -0.35 -2.47 -0.10 0.00 0.56 0.00 0.00 36.38 34.03 1p8x s VAL 554 CO 0.36 0.00 1.31 -0.76 -0.31 0.00 0.00 175.10 175.70 1p8x s LEU 555 N -3.48 4.37 -1.26 1.32 1.02 -1.26 -3.85 118.68 115.54 1p8x s LEU 555 Ca 0.31 2.69 -0.17 0.00 0.02 0.00 0.00 54.13 56.98 1p8x s LEU 555 Cb 0.04 -3.71 0.09 0.00 0.02 0.00 0.00 46.19 42.63 1p8x s LEU 555 CO 0.17 -0.62 1.65 -2.16 0.02 0.00 0.00 176.35 175.41 1p8x s PRO 556 N -1.92 3.99 0.04 1.29 0.04 -1.26 -4.78 135.00 132.41 1p8x s PRO 556 Ca 0.51 -2.09 0.03 0.00 0.04 0.00 0.00 61.00 59.49 1p8x s PRO 556 Cb -0.39 -5.42 -0.02 0.00 0.04 0.00 0.00 34.50 28.71 1p8x s PRO 556 CO 0.52 -2.14 -0.08 0.15 0.04 0.00 0.00 177.00 175.49 1p8x s LYS 557 N 3.65 0.56 0.32 4.56 1.02 -1.26 -4.65 119.74 123.93 1p8x s LYS 557 Ca 0.51 -0.77 0.03 0.00 0.02 0.00 0.00 55.97 55.76 1p8x s LYS 557 Cb 0.02 -0.35 0.60 0.00 -0.52 0.00 0.00 37.83 37.58 1p8x s LYS 557 CO 0.05 0.07 1.91 0.00 -0.92 0.00 0.00 175.35 176.45 1p8x h ALA 558 N 4.50 1.58 -0.00 5.17 0.00 -1.78 -1.98 119.26 126.75 1p8x h ALA 558 Ca -0.36 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1p8x h ALA 558 Cb 1.20 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 1p8x h ALA 558 CO 0.41 0.26 0.06 0.78 0.00 0.00 0.00 179.25 180.76 1p8x h GLY 559 N 0.94 0.00 2.00 0.00 0.00 -1.86 -2.06 103.07 102.09 1p8x h GLY 559 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.72 1p8x h GLY 559 CO -0.16 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.38 1p8x h ALA 560 N 1.88 1.00 -2.52 3.60 0.00 -1.67 -3.34 119.26 118.21 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 0.12 0.00 0.10 0.00 0.00 0.00 0.00 17.79 18.02 1p8x h ALA 560 CO -0.00 0.00 0.39 -0.51 0.00 0.00 0.00 179.25 179.13 1p8x s LEU 561 N -4.66 3.45 -0.12 0.00 1.43 -0.78 -4.88 118.68 113.12 1p8x s LEU 561 Ca 0.08 2.09 -0.09 0.00 -1.03 0.00 0.00 54.13 55.18 1p8x s LEU 561 Cb 0.11 -4.56 0.04 0.00 0.03 0.00 0.00 46.19 41.80 1p8x s LEU 561 CO 0.52 -1.64 0.31 0.54 0.23 0.00 0.00 176.35 176.31 1p8x s ASN 562 N -2.33 -0.34 0.11 2.29 2.20 -1.26 -1.36 114.94 114.26 1p8x s ASN 562 Ca 0.69 0.64 0.09 0.00 -0.94 0.00 0.00 52.86 53.34 1p8x s ASN 562 Cb -0.23 0.59 0.46 0.00 -2.00 0.00 0.00 41.25 40.07 1p8x s ASN 562 CO 0.39 -0.14 1.27 -1.20 -2.94 0.00 0.00 177.10 174.49 1p8x n SER 563 N 3.55 0.20 0.05 3.54 7.64 -0.88 -2.42 113.62 125.31 1p8x n SER 563 Ca -0.18 0.59 0.12 0.00 1.01 0.00 0.00 58.87 60.40 1p8x n SER 563 Cb 0.56 -0.62 0.17 0.00 -1.01 0.00 0.00 64.21 63.31 1p8x n SER 563 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1p8x n ASN 564 N -1.77 0.68 -4.63 6.43 2.85 -1.15 0.28 115.26 117.94 1p8x n ASN 564 Ca -0.00 0.08 -0.29 0.00 -0.11 0.00 0.00 54.58 54.26 1p8x n ASN 564 Cb 0.04 0.20 -0.09 0.00 1.24 0.00 0.00 39.78 41.16 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 -4.12 3.79 0.07 1.20 1.01 -1.02 -2.94 116.67 114.66 1p8x s ASP 565 Ca 0.06 -1.52 0.01 0.00 0.71 0.00 0.00 52.55 51.82 1p8x s ASP 565 Cb 0.14 0.09 -0.04 0.00 1.01 0.00 0.00 42.92 44.11 1p8x s ASP 565 CO 0.72 -0.67 0.19 0.00 0.21 0.00 0.00 175.17 175.62 1p8x s ALA 566 N -2.87 3.91 0.04 5.23 0.00 -1.10 -1.01 121.76 125.97 1p8x s ALA 566 Ca 0.22 -0.90 0.04 0.00 0.00 0.00 0.00 51.96 51.32 1p8x s ALA 566 Cb 0.06 -1.74 -0.02 0.00 0.00 0.00 0.00 23.12 21.42 1p8x s ALA 566 CO 0.11 0.78 -0.11 -0.06 0.00 0.00 0.00 175.76 176.48 1p8x s PHE 567 N -1.51 0.96 -0.15 0.00 0.08 0.11 -0.28 117.98 117.19 1p8x s PHE 567 Ca 0.34 -0.38 0.00 0.00 0.12 0.00 0.00 56.93 57.01 1p8x s PHE 567 Cb -0.13 -0.57 -0.00 0.00 -0.57 0.00 0.00 43.02 41.75 1p8x s PHE 567 CO 0.27 -0.00 -0.15 0.08 -0.10 0.00 0.00 175.22 175.31 1p8x s VAL 568 N -1.00 2.68 -0.19 -0.44 1.01 -0.51 -0.82 120.40 121.13 1p8x s VAL 568 Ca -0.03 -0.77 -0.00 0.00 0.00 0.00 0.00 61.98 61.18 1p8x s VAL 568 Cb -0.08 -2.12 0.01 0.00 0.00 0.00 0.00 36.38 34.18 1p8x s VAL 568 CO 0.01 0.52 -0.15 -0.22 0.00 0.00 0.00 175.10 175.25 1p8x s LEU 569 N 0.73 2.37 -0.10 3.92 0.20 -0.59 -0.67 118.68 124.55 1p8x s LEU 569 Ca -0.07 -0.56 0.04 0.00 0.69 0.00 0.00 54.13 54.23 1p8x s LEU 569 Cb -0.16 -1.56 0.00 0.00 -0.43 0.00 0.00 46.19 44.05 1p8x s LEU 569 CO 0.01 0.01 -0.22 -0.75 -0.29 0.00 0.00 176.35 175.11 1p8x s LYS 570 N 1.25 2.84 0.50 1.98 2.20 0.01 -0.16 119.74 128.37 1p8x s LYS 570 Ca 0.03 -0.81 0.02 0.00 -0.36 0.00 0.00 55.97 54.85 1p8x s LYS 570 Cb -0.14 -2.19 -0.02 0.00 -1.51 0.00 0.00 37.83 33.98 1p8x s LYS 570 CO -0.08 0.13 0.00 0.95 -0.36 0.00 0.00 175.35 175.99 1p8x s THR 571 N 0.46 1.23 0.37 3.43 -4.23 0.90 -0.55 115.64 117.25 1p8x s THR 571 Ca -0.17 -2.00 0.18 0.00 -1.18 0.00 0.00 61.69 58.52 1p8x s THR 571 Cb -0.17 -2.23 0.17 0.00 1.34 0.00 0.00 72.50 71.60 1p8x s THR 571 CO 0.07 0.00 1.91 -0.65 -0.54 0.00 0.00 174.62 175.41 1p8x h PRO 572 N 1.39 0.00 -0.01 3.99 0.11 -1.99 -3.26 132.00 132.24 1p8x h PRO 572 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1p8x h PRO 572 Cb 1.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.42 1p8x h PRO 572 CO 0.75 0.27 -0.24 -1.13 -0.21 0.00 0.00 178.00 177.44 1p8x n SER 573 N -3.94 1.11 -3.71 -2.05 3.41 -1.26 -5.06 113.62 102.12 1p8x n SER 573 Ca -0.02 -1.06 -0.09 0.00 -0.26 0.00 0.00 58.87 57.44 1p8x n SER 573 Cb 0.34 0.54 -0.03 0.00 -0.26 0.00 0.00 64.21 64.81 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 -1.43 -1.17 -0.03 7.33 0.00 -1.23 -5.17 121.76 120.05 1p8x s ALA 574 Ca 0.08 -0.11 -0.04 0.00 0.00 0.00 0.00 51.96 51.89 1p8x s ALA 574 Cb 0.08 0.87 0.01 0.00 0.00 0.00 0.00 23.12 24.08 1p8x s ALA 574 CO 0.27 -0.88 0.10 0.00 0.00 0.00 0.00 175.76 175.25 1p8x s ALA 575 N -3.87 -0.25 0.05 0.00 0.00 -1.26 -0.07 121.76 116.36 1p8x s ALA 575 Ca 0.08 0.18 0.05 0.00 0.00 0.00 0.00 51.96 52.27 1p8x s ALA 575 Cb -0.03 -0.12 -0.02 0.00 0.00 0.00 0.00 23.12 22.95 1p8x s ALA 575 CO -0.01 -0.08 -0.14 0.71 0.00 0.00 0.00 175.76 176.24 1p8x s TYR 576 N -0.24 1.17 -0.29 0.00 2.02 0.78 -1.05 117.35 119.74 1p8x s TYR 576 Ca -0.03 -0.38 0.02 0.00 -0.37 0.00 0.00 57.07 56.31 1p8x s TYR 576 Cb -0.02 -0.69 0.07 0.00 -0.40 0.00 0.00 41.96 40.92 1p8x s TYR 576 CO 0.00 0.03 -0.04 -1.17 -1.57 0.00 0.00 175.55 172.80 1p8x s LEU 577 N -1.30 3.90 -0.22 -1.29 0.20 -0.47 -1.54 118.68 117.97 1p8x s LEU 577 Ca -0.00 -1.59 -0.12 0.00 0.69 0.00 0.00 54.13 53.11 1p8x s LEU 577 Cb -0.08 -1.61 -0.05 0.00 -0.43 0.00 0.00 46.19 44.02 1p8x s LEU 577 CO 0.01 -0.26 0.22 0.86 -0.29 0.00 0.00 176.35 176.89 1p8x s TRP 578 N 1.08 3.36 -0.33 5.38 -0.00 -0.00 -0.05 118.94 128.37 1p8x s TRP 578 Ca -0.03 0.36 -0.06 0.00 -0.00 0.00 0.00 56.10 56.37 1p8x s TRP 578 Cb -0.20 -2.31 0.04 0.00 -0.00 0.00 0.00 33.47 31.00 1p8x s TRP 578 CO -0.05 0.10 0.09 0.08 -0.00 0.00 0.00 176.95 177.16 1p8x s VAL 579 N 0.95 3.66 0.63 5.86 1.01 0.25 0.08 120.40 132.85 1p8x s VAL 579 Ca 0.11 -1.16 -0.17 0.00 0.00 0.00 0.00 61.98 60.76 1p8x s VAL 579 Cb -0.13 -3.07 -0.02 0.00 0.00 0.00 0.00 36.38 33.16 1p8x s VAL 579 CO 0.04 -0.16 1.18 -0.83 0.00 0.00 0.00 175.10 175.33 1p8x s GLY 580 N 1.38 2.54 0.43 4.51 0.00 -0.18 -1.37 107.32 114.63 1p8x s GLY 580 Ca -0.02 0.88 0.17 0.00 0.00 0.00 0.00 44.72 45.75 1p8x s GLY 580 CO 0.02 1.26 1.91 -0.84 0.00 0.00 0.00 173.10 175.45 1p8x h THR 581 N 0.51 0.76 -0.49 0.90 2.02 -1.77 -0.30 112.91 114.54 1p8x h THR 581 Ca -0.49 -0.13 0.00 0.00 0.77 0.00 0.00 66.41 66.56 1p8x h THR 581 Cb 1.28 0.34 0.00 0.00 -1.74 0.00 0.00 68.15 68.03 1p8x h THR 581 CO 0.54 0.07 0.00 0.61 0.37 0.00 0.00 175.52 177.11 1p8x n GLY 582 N -1.53 1.54 3.77 2.16 0.00 0.14 -4.87 105.19 106.40 1p8x n GLY 582 Ca 0.15 -0.63 -0.39 0.00 0.00 0.00 0.00 46.02 45.16 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 -1.35 3.14 0.52 4.61 0.00 -0.12 -4.72 121.76 123.84 1p8x s ALA 583 Ca 0.38 1.21 -0.02 0.00 0.00 0.00 0.00 51.96 53.53 1p8x s ALA 583 Cb 0.20 -3.49 0.01 0.00 0.00 0.00 0.00 23.12 19.85 1p8x s ALA 583 CO 0.27 -0.90 0.77 -1.54 0.00 0.00 0.00 175.76 174.37 1p8x s SER 584 N -0.86 5.59 0.31 0.00 1.04 -1.26 -4.95 113.70 113.56 1p8x s SER 584 Ca 0.60 0.34 -0.00 0.00 0.48 0.00 0.00 55.95 57.38 1p8x s SER 584 Cb -0.37 -1.41 0.50 0.00 0.10 0.00 0.00 66.02 64.83 1p8x s SER 584 CO 0.47 -0.95 1.93 -0.33 0.98 0.00 0.00 173.24 175.34 1p8x h GLU 585 N 0.12 0.89 -0.47 4.02 4.39 -1.99 -1.40 114.58 120.14 1p8x h GLU 585 Ca -0.45 -0.10 -0.02 0.00 0.34 0.00 0.00 59.36 59.13 1p8x h GLU 585 Cb 1.27 -0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 29.72 1p8x h GLU 585 CO 0.57 0.67 0.22 0.00 -1.16 0.00 0.00 179.01 179.31 1p8x h ALA 586 N 1.47 1.50 -0.27 3.43 0.00 -1.94 -0.99 119.26 122.46 1p8x h ALA 586 Ca 0.23 -0.10 -0.19 0.00 0.00 0.00 0.00 54.91 54.84 1p8x h ALA 586 Cb 0.05 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1p8x h ALA 586 CO -0.03 0.40 -0.57 0.93 0.00 0.00 0.00 179.25 179.98 1p8x h GLU 587 N 0.66 0.87 -0.47 0.00 5.08 -1.62 -1.05 114.58 118.04 1p8x h GLU 587 Ca 0.16 -0.57 -0.07 0.00 -1.00 0.00 0.00 59.36 57.89 1p8x h GLU 587 Cb 0.08 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 1p8x h GLU 587 CO -0.02 1.20 0.02 0.87 -1.00 0.00 0.00 179.01 180.07 1p8x h LYS 588 N 0.65 0.77 -0.46 2.33 1.57 -0.90 -1.19 116.57 119.33 1p8x h LYS 588 Ca 0.01 -0.20 -0.12 0.00 -1.87 0.00 0.00 60.65 58.47 1p8x h LYS 588 Cb 1.18 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 33.38 1p8x h LYS 588 CO 0.13 0.77 -0.17 1.15 -0.57 0.00 0.00 179.45 180.75 1p8x h THR 589 N 0.72 1.27 -0.29 -0.16 2.02 -1.10 -2.22 112.91 113.15 1p8x h THR 589 Ca 0.15 -1.32 -0.10 0.00 0.77 0.00 0.00 66.41 65.91 1p8x h THR 589 Cb 0.42 1.15 -0.01 0.00 -1.74 0.00 0.00 68.15 67.96 1p8x h THR 589 CO 0.02 0.45 -0.22 1.23 0.37 0.00 0.00 175.52 177.36 1p8x h GLY 590 N 0.78 0.60 1.05 2.16 0.00 -0.89 -1.54 103.07 105.22 1p8x h GLY 590 Ca 0.11 -0.49 -0.07 0.00 0.00 0.00 0.00 47.33 46.88 1p8x h GLY 590 CO 0.06 0.45 0.14 0.00 0.00 0.00 0.00 176.54 177.19 1p8x h ALA 591 N 1.26 0.86 -0.88 3.60 0.00 -1.05 -1.04 119.26 122.02 1p8x h ALA 591 Ca 0.07 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1p8x h ALA 591 Cb 0.66 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 1p8x h ALA 591 CO 0.05 0.59 0.51 1.96 0.00 0.00 0.00 179.25 182.37 1p8x h GLN 592 N 0.98 1.21 -0.58 0.00 1.08 -0.97 -0.61 115.11 116.22 1p8x h GLN 592 Ca 0.20 -0.12 -0.09 0.00 -1.45 0.00 0.00 58.65 57.19 1p8x h GLN 592 Cb 0.39 -0.25 -0.02 0.00 -0.05 0.00 0.00 27.48 27.55 1p8x h GLN 592 CO 0.01 0.86 -0.01 0.93 -0.95 0.00 0.00 178.83 179.66 1p8x h GLU 593 N 1.22 1.01 -0.09 1.46 4.39 -0.77 -1.07 114.58 120.74 1p8x h GLU 593 Ca 0.31 -0.32 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1p8x h GLU 593 Cb -0.02 -0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 28.53 1p8x h GLU 593 CO -0.06 1.00 0.05 1.25 -1.16 0.00 0.00 179.01 180.10 1p8x h LEU 594 N 0.92 0.10 -0.93 1.33 6.46 -0.76 -1.48 115.31 120.95 1p8x h LEU 594 Ca 0.16 -0.02 0.12 0.00 -0.12 0.00 0.00 57.88 58.03 1p8x h LEU 594 Cb 0.55 -0.03 -0.08 0.00 -0.73 0.00 0.00 40.66 40.38 1p8x h LEU 594 CO 0.03 0.09 0.56 -0.07 -0.62 0.00 0.00 178.44 178.43 1p8x h LEU 595 N 0.10 0.79 -0.75 2.25 3.38 -0.77 0.29 115.31 120.61 1p8x h LEU 595 Ca 0.03 0.06 -0.08 0.00 0.09 0.00 0.00 57.88 57.97 1p8x h LEU 595 Cb 0.00 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 1p8x h LEU 595 CO -0.01 0.41 0.02 -0.09 0.09 0.00 0.00 178.44 178.87 1p8x h ARG 596 N 0.87 0.97 -0.38 1.13 2.43 -0.84 -1.07 114.38 117.49 1p8x h ARG 596 Ca 0.47 -0.28 -0.07 0.00 -0.81 0.00 0.00 59.98 59.28 1p8x h ARG 596 Cb 0.50 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.93 1p8x h ARG 596 CO -0.28 0.95 -0.07 0.28 -1.51 0.00 0.00 179.97 179.33 1p8x h VAL 597 N 0.90 1.24 0.00 0.20 2.07 0.09 -2.38 116.25 118.37 1p8x h VAL 597 Ca 0.17 -1.03 0.00 0.00 0.82 0.00 0.00 66.70 66.66 1p8x h VAL 597 Cb 0.50 1.03 0.00 0.00 -1.52 0.00 0.00 31.29 31.30 1p8x h VAL 597 CO 0.02 0.35 0.00 0.18 0.02 0.00 0.00 177.57 178.14 1p8x n LEU 598 N -4.20 0.00 -3.36 2.57 4.32 0.82 -4.93 117.00 112.21 1p8x n LEU 598 Ca 0.01 0.24 -0.22 0.00 -0.02 0.00 0.00 56.01 56.02 1p8x n LEU 598 Cb 0.32 -0.24 0.07 0.00 -1.62 0.00 0.00 43.42 41.95 1p8x n LEU 598 CO 0.41 -0.02 0.23 0.54 -1.22 0.00 0.00 177.39 177.33 1p8x n ARG 599 N -1.24 -7.37 -4.10 3.23 3.00 -0.48 -5.01 116.66 104.68 1p8x n ARG 599 Ca 0.15 0.77 -0.14 0.00 -0.01 0.00 0.00 57.85 58.61 1p8x n ARG 599 Cb 0.21 -5.63 -0.12 0.00 0.00 0.00 0.00 32.46 26.92 1p8x n ARG 599 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1p8x s ALA 600 N -3.30 0.61 -0.20 7.54 0.00 -0.76 -5.05 121.76 120.61 1p8x s ALA 600 Ca 0.53 -0.69 -0.14 0.00 0.00 0.00 0.00 51.96 51.67 1p8x s ALA 600 Cb -0.24 -0.00 -0.04 0.00 0.00 0.00 0.00 23.12 22.84 1p8x s ALA 600 CO 0.67 0.03 0.31 -0.65 0.00 0.00 0.00 175.76 176.12 1p8x s GLN 601 N -1.31 4.18 0.35 0.00 -1.52 -1.26 -4.42 119.66 115.67 1p8x s GLN 601 Ca -0.07 0.06 -0.07 0.00 -1.95 0.00 0.00 55.36 53.33 1p8x s GLN 601 Cb -0.08 -3.50 -0.06 0.00 -0.22 0.00 0.00 33.01 29.15 1p8x s GLN 601 CO 0.00 0.07 0.65 -1.25 -0.25 0.00 0.00 175.29 174.52 1p8x s PRO 602 N 0.98 3.69 -0.28 2.91 0.04 -1.26 -4.42 135.00 136.66 1p8x s PRO 602 Ca 0.16 0.21 -0.19 0.00 0.04 0.00 0.00 61.00 61.22 1p8x s PRO 602 Cb -0.14 -2.53 -0.02 0.00 0.04 0.00 0.00 34.50 31.85 1p8x s PRO 602 CO 0.06 0.09 0.55 0.08 0.04 0.00 0.00 177.00 177.82 1p8x s VAL 603 N -2.23 5.03 0.16 -0.36 1.01 -0.22 -4.89 120.40 118.89 1p8x s VAL 603 Ca 0.47 0.82 -0.30 0.00 0.00 0.00 0.00 61.98 62.98 1p8x s VAL 603 Cb -0.10 -3.89 -0.07 0.00 0.00 0.00 0.00 36.38 32.32 1p8x s VAL 603 CO 0.31 -0.01 1.05 -1.10 0.00 0.00 0.00 175.10 175.35 1p8x s GLN 604 N 2.40 4.64 -0.07 2.72 -0.21 -1.26 -1.37 119.66 126.51 1p8x s GLN 604 Ca 0.22 1.62 -0.01 0.00 0.02 0.00 0.00 55.36 57.21 1p8x s GLN 604 Cb -0.15 -3.31 0.03 0.00 1.00 0.00 0.00 33.01 30.57 1p8x s GLN 604 CO 0.10 0.14 -0.02 0.08 -2.12 0.00 0.00 175.29 173.48 1p8x s VAL 605 N -0.20 0.49 0.20 1.09 1.01 0.93 -4.89 120.40 119.03 1p8x s VAL 605 Ca 0.48 0.03 -0.21 0.00 0.00 0.00 0.00 61.98 62.28 1p8x s VAL 605 Cb -0.27 -0.61 -0.08 0.00 0.00 0.00 0.00 36.38 35.42 1p8x s VAL 605 CO 0.33 0.27 0.73 0.00 0.00 0.00 0.00 175.10 176.43 1p8x s ALA 606 N 1.77 3.43 0.25 5.51 0.00 -1.26 -0.58 121.76 130.88 1p8x s ALA 606 Ca 0.02 0.22 -0.31 0.00 0.00 0.00 0.00 51.96 51.89 1p8x s ALA 606 Cb -0.13 -2.85 -0.13 0.00 0.00 0.00 0.00 23.12 20.01 1p8x s ALA 606 CO -0.05 0.32 1.44 -1.91 0.00 0.00 0.00 175.76 175.56 1p8x n GLU 607 N 1.02 2.16 0.00 0.00 2.13 -0.47 -1.80 120.64 123.68 1p8x n GLU 607 Ca -0.04 0.77 0.00 0.00 0.66 0.00 0.00 57.16 58.55 1p8x n GLU 607 Cb 0.50 -2.45 0.00 0.00 0.27 0.00 0.00 31.44 29.77 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 2.14 2.10 2.52 8.31 0.00 -1.26 -4.89 105.19 114.12 1p8x n GLY 608 Ca 0.11 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.02 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 2.91 -4.79 1.61 3.41 -0.74 -5.09 113.62 110.92 1p8x n SER 609 Ca 0.00 -2.79 -0.34 0.00 -0.26 0.00 0.00 58.87 55.48 1p8x n SER 609 Cb 0.00 -0.44 -0.03 0.00 -0.26 0.00 0.00 64.21 63.48 1p8x n SER 609 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 1p8x s GLU 610 N -3.65 3.73 0.77 4.33 1.03 -1.25 -4.71 118.70 118.96 1p8x s GLU 610 Ca 0.37 1.40 -0.12 0.00 0.03 0.00 0.00 54.97 56.65 1p8x s GLU 610 Cb 0.37 -2.08 0.06 0.00 -0.80 0.00 0.00 34.13 31.68 1p8x s GLU 610 CO -0.02 -0.49 1.11 -2.14 -1.33 0.00 0.00 175.26 172.39 1p8x s PRO 611 N -3.25 2.28 0.34 -4.83 0.02 -1.26 -4.96 135.00 123.34 1p8x s PRO 611 Ca 0.68 0.45 0.05 0.00 0.02 0.00 0.00 61.00 62.21 1p8x s PRO 611 Cb -0.17 -1.96 0.63 0.00 0.02 0.00 0.00 34.50 33.02 1p8x s PRO 611 CO 0.21 -1.44 1.87 -0.44 -0.33 0.00 0.00 177.00 176.87 1p8x h ASP 612 N -0.95 0.44 0.27 2.53 3.45 -2.01 -2.54 116.42 117.61 1p8x h ASP 612 Ca -0.46 -0.09 -0.04 0.00 0.43 0.00 0.00 57.03 56.87 1p8x h ASP 612 Cb 1.28 -0.12 -0.01 0.00 -0.56 0.00 0.00 39.33 39.93 1p8x h ASP 612 CO 0.62 0.54 -0.18 1.23 -1.57 0.00 0.00 179.24 179.88 1p8x h GLY 613 N 0.82 0.00 0.56 2.75 0.00 -1.99 -1.55 103.07 103.66 1p8x h GLY 613 Ca 0.09 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.42 1p8x h GLY 613 CO 0.01 0.00 -0.06 -2.75 0.00 0.00 0.00 176.54 173.75 1p8x h PHE 614 N 0.00 -0.14 -0.65 5.60 3.04 -1.83 -2.20 116.94 120.76 1p8x h PHE 614 Ca -0.00 -0.00 -0.07 0.00 3.98 0.00 0.00 57.97 61.88 1p8x h PHE 614 Cb 0.36 0.05 -0.03 0.00 2.56 0.00 0.00 35.95 38.90 1p8x h PHE 614 CO 0.00 0.26 0.14 -1.49 -2.02 0.00 0.00 178.31 175.20 1p8x h TRP 615 N -0.60 1.09 -0.39 0.41 -0.00 -1.53 -2.83 115.95 112.10 1p8x h TRP 615 Ca -0.02 -0.13 0.01 0.00 -0.00 0.00 0.00 58.89 58.75 1p8x h TRP 615 Cb 0.47 -0.31 -0.02 0.00 -0.00 0.00 0.00 29.16 29.31 1p8x h TRP 615 CO 0.06 0.90 0.25 1.49 -0.00 0.00 0.00 178.44 181.14 1p8x h GLU 616 N 0.98 0.49 -0.16 0.49 4.81 -1.31 0.29 114.58 120.17 1p8x h GLU 616 Ca 0.20 -0.03 0.05 0.00 -0.13 0.00 0.00 59.36 59.45 1p8x h GLU 616 Cb 0.38 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.64 1p8x h GLU 616 CO 0.00 0.32 0.19 0.00 -0.73 0.00 0.00 179.01 178.79 1p8x h ALA 617 N 1.15 1.75 -0.04 2.92 0.00 -1.17 0.20 119.26 124.07 1p8x h ALA 617 Ca 0.15 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1p8x h ALA 617 Cb -0.04 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1p8x h ALA 617 CO -0.04 -0.27 0.00 1.28 0.00 0.00 0.00 179.25 180.22 1p8x n LEU 618 N -3.75 2.19 0.00 0.00 4.77 -0.47 -4.92 117.00 114.82 1p8x n LEU 618 Ca 0.01 -0.75 0.00 0.00 -0.03 0.00 0.00 56.01 55.24 1p8x n LEU 618 Cb 0.30 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.38 1p8x n LEU 618 CO 0.27 0.37 0.00 0.61 -1.33 0.00 0.00 177.39 177.31 1p8x n GLY 619 N 1.26 0.67 0.00 -0.72 0.00 0.71 -3.81 105.19 103.30 1p8x n GLY 619 Ca 0.17 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.50 2.60 3.77 -0.02 0.00 0.89 -4.98 105.19 104.94 1p8x n GLY 620 Ca 0.00 -1.67 -0.39 0.00 0.00 0.00 0.00 46.02 43.96 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 -4.37 3.87 0.28 1.61 2.20 -1.26 -4.46 119.74 117.60 1p8x s LYS 621 Ca 0.00 2.09 -0.19 0.00 -0.36 0.00 0.00 55.97 57.51 1p8x s LYS 621 Cb 0.00 -2.66 0.02 0.00 -1.51 0.00 0.00 37.83 33.68 1p8x s LYS 621 CO 0.00 -0.56 0.68 0.00 -0.36 0.00 0.00 175.35 175.11 1p8x s ALA 622 N -1.31 -1.04 0.51 3.13 0.00 -1.26 -5.04 121.76 116.74 1p8x s ALA 622 Ca 0.59 -0.42 -0.20 0.00 0.00 0.00 0.00 51.96 51.93 1p8x s ALA 622 Cb -0.37 0.89 -0.07 0.00 0.00 0.00 0.00 23.12 23.57 1p8x s ALA 622 CO 0.46 -1.01 1.07 0.00 0.00 0.00 0.00 175.76 176.29 1p8x s ALA 623 N -3.92 2.81 0.00 0.00 0.00 -1.26 -4.75 121.76 114.65 1p8x s ALA 623 Ca 0.13 0.70 0.00 0.00 0.00 0.00 0.00 51.96 52.79 1p8x s ALA 623 Cb -0.05 -3.30 0.00 0.00 0.00 0.00 0.00 23.12 19.77 1p8x s ALA 623 CO 0.07 -0.49 0.00 2.48 0.00 0.00 0.00 175.76 177.83 1p8x n TYR 624 N -1.07 0.00 -2.54 0.00 0.18 -1.26 -4.10 117.16 108.36 1p8x n TYR 624 Ca 0.10 0.00 -0.41 0.00 1.88 0.00 0.00 57.90 59.47 1p8x n TYR 624 Cb 0.52 0.00 -0.03 0.00 -0.38 0.00 0.00 39.34 39.45 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 -0.52 3.21 0.12 -3.48 0.52 -0.46 -4.84 118.95 113.50 1p8x s ARG 625 Ca 0.00 -0.17 -0.10 0.00 -0.52 0.00 0.00 55.73 54.94 1p8x s ARG 625 Cb 0.00 -4.17 0.00 0.00 0.52 0.00 0.00 34.95 31.31 1p8x s ARG 625 CO 0.00 -2.11 0.26 -0.08 0.02 0.00 0.00 175.30 173.39 1p8x s THR 626 N 5.73 0.11 -0.11 0.02 -1.32 -1.26 -2.08 115.64 116.73 1p8x s THR 626 Ca 0.37 -1.11 -0.33 0.00 -1.21 0.00 0.00 61.69 59.41 1p8x s THR 626 Cb -0.08 -1.43 0.14 0.00 -1.51 0.00 0.00 72.50 69.62 1p8x s THR 626 CO 0.16 -0.49 1.36 -0.94 -2.21 0.00 0.00 174.62 172.50 1p8x s SER 627 N -2.88 -0.04 0.25 8.08 1.04 -1.26 -4.34 113.70 114.55 1p8x s SER 627 Ca 0.08 -0.05 -0.06 0.00 0.48 0.00 0.00 55.95 56.39 1p8x s SER 627 Cb 0.04 0.08 0.25 0.00 0.10 0.00 0.00 66.02 66.48 1p8x s SER 627 CO -0.08 -0.14 1.92 -0.65 0.98 0.00 0.00 173.24 175.27 1p8x h PRO 628 N 2.00 1.31 -0.44 4.02 0.11 -2.01 -1.45 132.00 135.53 1p8x h PRO 628 Ca -0.25 -0.09 -0.14 0.00 0.11 0.00 0.00 66.00 65.63 1p8x h PRO 628 Cb 1.18 -0.29 -0.01 0.00 0.11 0.00 0.00 31.00 31.99 1p8x h PRO 628 CO 0.27 0.88 -0.26 -0.09 -0.21 0.00 0.00 178.00 178.58 1p8x h ARG 629 N 1.34 0.95 -0.12 1.05 9.65 -1.96 -1.80 114.38 123.49 1p8x h ARG 629 Ca 0.36 -0.43 -0.08 0.00 -1.10 0.00 0.00 59.98 58.73 1p8x h ARG 629 Cb -0.13 -0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 28.42 1p8x h ARG 629 CO -0.08 1.09 -0.27 -0.07 2.80 0.00 0.00 179.97 183.44 1p8x h LEU 630 N 0.81 0.22 0.00 3.80 3.38 -1.86 -2.74 115.31 118.92 1p8x h LEU 630 Ca 0.10 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1p8x h LEU 630 Cb 0.84 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.53 1p8x h LEU 630 CO 0.07 0.50 -0.22 0.11 0.09 0.00 0.00 178.44 178.99 1p8x h LYS 631 N 0.20 0.00 -7.17 1.13 1.57 -1.09 -3.05 116.57 108.16 1p8x h LYS 631 Ca 0.03 0.00 -0.51 0.00 -1.87 0.00 0.00 60.65 58.30 1p8x h LYS 631 Cb 0.59 0.00 0.10 0.00 0.08 0.00 0.00 32.23 33.01 1p8x h LYS 631 CO 0.04 0.00 0.39 0.34 -0.57 0.00 0.00 179.45 179.65 1p8x s ASP 632 N -4.51 5.09 0.00 0.86 -1.08 -0.69 -3.03 116.67 113.31 1p8x s ASP 632 Ca 0.09 2.10 0.06 0.00 -0.52 0.00 0.00 52.55 54.28 1p8x s ASP 632 Cb 0.12 -2.56 0.11 0.00 -1.46 0.00 0.00 42.92 39.13 1p8x s ASP 632 CO 0.64 -1.64 0.93 0.29 0.52 0.00 0.00 175.17 175.91 1p8x n LYS 633 N -2.22 1.57 -0.98 4.34 5.02 -1.26 -4.40 118.16 120.23 1p8x n LYS 633 Ca 0.11 -1.37 -0.01 0.00 -2.02 0.00 0.00 58.31 55.02 1p8x n LYS 633 Cb 0.51 -1.12 0.35 0.00 -0.02 0.00 0.00 35.03 34.75 1p8x n LYS 633 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1p8x n LYS 634 N 0.15 4.25 -0.39 1.97 3.00 -1.26 -4.42 118.16 121.46 1p8x n LYS 634 Ca 0.05 -3.13 -0.01 0.00 -0.00 0.00 0.00 58.31 55.22 1p8x n LYS 634 Cb 0.25 -2.25 0.00 0.00 0.00 0.00 0.00 35.03 33.04 1p8x n LYS 634 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.40 177.28 1p8x n MET 635 N 0.17 1.04 -0.08 1.64 0.00 -1.26 -3.43 117.12 115.19 1p8x n MET 635 Ca 0.36 -0.07 -0.22 0.00 -0.00 0.00 0.00 57.70 57.76 1p8x n MET 635 Cb 1.32 -1.03 -0.12 0.00 0.00 0.00 0.00 33.22 33.39 1p8x n MET 635 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 1p8x n ASP 636 N 1.18 2.00 0.06 6.12 8.00 -1.26 -4.35 116.55 128.30 1p8x n ASP 636 Ca 0.01 0.18 -0.17 0.00 0.71 0.00 0.00 54.79 55.52 1p8x n ASP 636 Cb 0.51 -0.75 -0.08 0.00 -0.02 0.00 0.00 41.12 40.78 1p8x n ASP 636 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1p8x h ALA 637 N -0.26 0.23 -2.26 2.24 0.00 -1.95 -3.40 119.26 113.86 1p8x h ALA 637 Ca -0.51 -0.72 -0.59 0.00 0.00 0.00 0.00 54.91 53.09 1p8x h ALA 637 Cb 1.78 0.02 -0.41 0.00 0.00 0.00 0.00 17.79 19.18 1p8x h ALA 637 CO -0.12 0.76 -0.76 0.72 0.00 0.00 0.00 179.25 179.86 1p8x n HIS 638 N -3.78 2.17 -1.72 0.00 8.25 -1.26 -5.10 115.22 113.78 1p8x n HIS 638 Ca -0.09 -3.95 -0.39 0.00 -0.26 0.00 0.00 57.72 53.03 1p8x n HIS 638 Cb 0.88 -0.45 0.04 0.00 1.12 0.00 0.00 29.99 31.58 1p8x n HIS 638 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 1p8x n PRO 639 N 1.27 1.59 -1.79 -0.41 -0.02 -1.26 -4.77 135.00 129.62 1p8x n PRO 639 Ca 0.26 0.59 -0.38 0.00 -2.02 0.00 0.00 63.50 61.95 1p8x n PRO 639 Cb 0.44 -2.51 0.04 0.00 -0.02 0.00 0.00 33.50 31.45 1p8x n PRO 639 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1p8x s PRO 640 N -2.83 3.19 -0.00 0.52 0.02 -1.26 -4.95 135.00 129.69 1p8x s PRO 640 Ca 0.72 2.24 0.08 0.00 0.02 0.00 0.00 61.00 64.06 1p8x s PRO 640 Cb -0.43 -2.29 -0.02 0.00 0.02 0.00 0.00 34.50 31.79 1p8x s PRO 640 CO 0.49 -1.15 -0.25 1.03 -0.33 0.00 0.00 177.00 176.79 1p8x s ARG 641 N -2.87 1.93 -0.09 5.54 0.52 -0.41 -4.97 118.95 118.60 1p8x s ARG 641 Ca 0.71 -0.95 0.04 0.00 -0.52 0.00 0.00 55.73 55.01 1p8x s ARG 641 Cb -0.40 -1.93 -0.01 0.00 0.52 0.00 0.00 34.95 33.13 1p8x s ARG 641 CO 0.48 0.52 -0.23 -1.17 0.02 0.00 0.00 175.30 174.93 1p8x s LEU 642 N -0.77 2.19 0.02 2.53 2.96 -1.26 -0.27 118.68 124.08 1p8x s LEU 642 Ca 0.10 -0.50 0.07 0.00 -0.22 0.00 0.00 54.13 53.58 1p8x s LEU 642 Cb -0.10 -1.43 -0.02 0.00 0.50 0.00 0.00 46.19 45.14 1p8x s LEU 642 CO -0.00 0.19 -0.22 -0.36 -1.32 0.00 0.00 176.35 174.64 1p8x s PHE 643 N 0.17 1.91 -0.18 5.38 0.40 0.72 -0.32 117.98 126.05 1p8x s PHE 643 Ca -0.13 -0.37 -0.10 0.00 -0.60 0.00 0.00 56.93 55.73 1p8x s PHE 643 Cb -0.16 -1.17 -0.05 0.00 0.51 0.00 0.00 43.02 42.14 1p8x s PHE 643 CO 0.07 0.05 0.15 0.00 0.70 0.00 0.00 175.22 176.18 1p8x s ALA 644 N -0.68 3.71 -0.20 5.36 0.00 0.70 -0.48 121.76 130.16 1p8x s ALA 644 Ca 0.08 -0.66 0.01 0.00 0.00 0.00 0.00 51.96 51.40 1p8x s ALA 644 Cb -0.09 -2.17 0.03 0.00 0.00 0.00 0.00 23.12 20.90 1p8x s ALA 644 CO 0.01 0.22 -0.18 0.00 0.00 0.00 0.00 175.76 175.81 1p8x s SER 646 N 1.25 -0.00 -0.20 0.00 0.15 -0.60 -2.26 113.70 112.03 1p8x s SER 646 Ca 0.02 -0.12 0.14 0.00 0.70 0.00 0.00 55.95 56.69 1p8x s SER 646 Cb -0.15 0.23 0.42 0.00 -1.71 0.00 0.00 66.02 64.81 1p8x s SER 646 CO -0.11 -0.31 1.29 -0.46 1.20 0.00 0.00 173.24 174.85 1p8x n ASN 647 N 1.74 2.48 -0.14 5.45 2.04 -1.26 -0.14 115.26 125.43 1p8x n ASN 647 Ca -0.21 -3.45 0.14 0.00 -0.44 0.00 0.00 54.58 50.62 1p8x n ASN 647 Cb 0.56 -0.52 0.50 0.00 -2.53 0.00 0.00 39.78 37.78 1p8x n ASN 647 CO 0.00 0.00 0.00 0.50 -0.44 0.00 0.00 177.26 177.32 1p8x h LYS 648 N 0.82 0.41 -0.00 -3.83 3.64 -1.96 -0.14 116.57 115.51 1p8x h LYS 648 Ca 0.05 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1p8x h LYS 648 Cb 1.23 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.96 1p8x h LYS 648 CO 0.13 0.27 -0.01 0.44 -2.27 0.00 0.00 179.45 178.01 1p8x n ILE 649 N -4.48 0.00 0.00 2.00 -5.35 -1.26 -4.86 119.36 105.41 1p8x n ILE 649 Ca 0.13 -0.07 0.00 0.00 -0.27 0.00 0.00 62.75 62.53 1p8x n ILE 649 Cb 0.47 -0.19 0.00 0.00 -1.74 0.00 0.00 39.64 38.18 1p8x n ILE 649 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1p8x n GLY 650 N 1.08 0.74 3.28 3.28 0.00 -0.07 -5.07 105.19 108.44 1p8x n GLY 650 Ca 0.21 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.12 1p8x n GLY 650 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1p8x s ARG 651 N -0.79 0.90 0.02 1.61 0.52 -1.25 -5.10 118.95 114.87 1p8x s ARG 651 Ca 0.00 -0.58 -0.30 0.00 -0.52 0.00 0.00 55.73 54.33 1p8x s ARG 651 Cb 0.00 0.39 -0.04 0.00 0.52 0.00 0.00 34.95 35.82 1p8x s ARG 651 CO 0.00 -0.31 1.08 0.12 0.02 0.00 0.00 175.30 176.20 1p8x s PHE 652 N -3.02 3.54 -0.02 -0.53 5.36 -1.26 -4.21 117.98 117.84 1p8x s PHE 652 Ca -0.02 1.52 0.04 0.00 -0.96 0.00 0.00 56.93 57.51 1p8x s PHE 652 Cb 0.01 -3.25 -0.01 0.00 -0.34 0.00 0.00 43.02 39.43 1p8x s PHE 652 CO -0.06 -0.57 -0.13 0.08 -1.46 0.00 0.00 175.22 173.08 1p8x s VAL 653 N 1.14 1.06 -0.07 3.12 1.01 0.80 -4.99 120.40 122.47 1p8x s VAL 653 Ca 0.55 -0.55 0.05 0.00 0.00 0.00 0.00 61.98 62.03 1p8x s VAL 653 Cb -0.24 -0.90 -0.01 0.00 0.00 0.00 0.00 36.38 35.23 1p8x s VAL 653 CO 0.28 0.31 -0.25 -0.63 0.00 0.00 0.00 175.10 174.81 1p8x s ILE 654 N -0.14 2.05 0.00 2.22 1.01 -1.26 -1.56 121.20 123.52 1p8x s ILE 654 Ca 0.02 -1.05 -0.00 0.00 0.00 0.00 0.00 60.65 59.62 1p8x s ILE 654 Cb -0.07 -1.74 -0.01 0.00 0.01 0.00 0.00 42.46 40.65 1p8x s ILE 654 CO 0.00 0.56 -0.00 -1.61 0.00 0.00 0.00 174.94 173.89 1p8x s GLU 655 N 0.01 0.10 0.21 2.79 2.02 -0.66 -4.97 118.70 118.20 1p8x s GLU 655 Ca -0.09 -0.17 -0.25 0.00 0.02 0.00 0.00 54.97 54.48 1p8x s GLU 655 Cb -0.15 0.04 -0.08 0.00 0.10 0.00 0.00 34.13 34.03 1p8x s GLU 655 CO 0.05 -0.02 0.82 -2.00 0.02 0.00 0.00 175.26 174.14 1p8x s GLU 656 N -0.43 4.55 -0.14 1.61 2.12 -1.26 -0.22 118.70 124.93 1p8x s GLU 656 Ca -0.05 1.18 -0.27 0.00 0.36 0.00 0.00 54.97 56.19 1p8x s GLU 656 Cb -0.03 -3.11 -0.01 0.00 0.26 0.00 0.00 34.13 31.24 1p8x s GLU 656 CO -0.00 0.48 0.91 0.08 -0.54 0.00 0.00 175.26 176.19 1p8x s VAL 657 N -1.31 4.84 0.81 3.70 1.01 0.57 -4.89 120.40 125.13 1p8x s VAL 657 Ca 0.40 1.82 -0.07 0.00 0.00 0.00 0.00 61.98 64.13 1p8x s VAL 657 Cb -0.21 -4.22 0.14 0.00 0.00 0.00 0.00 36.38 32.09 1p8x s VAL 657 CO 0.26 0.01 1.12 -2.16 0.00 0.00 0.00 175.10 174.33 1p8x s PRO 658 N 2.10 1.38 2.89 2.72 0.04 -1.26 -4.67 135.00 138.20 1p8x s PRO 658 Ca 0.43 -0.70 0.00 0.00 0.04 0.00 0.00 61.00 60.77 1p8x s PRO 658 Cb -0.17 -2.12 0.00 0.00 0.04 0.00 0.00 34.50 32.25 1p8x s PRO 658 CO 0.14 -1.77 0.00 0.41 0.04 0.00 0.00 177.00 175.82 1p8x n GLY 659 N -3.20 0.25 3.77 0.56 0.00 -1.26 -4.75 105.19 100.56 1p8x n GLY 659 Ca 0.14 -0.94 -0.39 0.00 0.00 0.00 0.00 46.02 44.83 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 4.33 -0.15 1.61 0.41 -0.12 -4.99 118.70 119.80 1p8x s GLU 660 Ca 0.00 1.75 -0.29 0.00 -0.41 0.00 0.00 54.97 56.02 1p8x s GLU 660 Cb 0.00 -2.86 -0.01 0.00 -1.78 0.00 0.00 34.13 29.48 1p8x s GLU 660 CO 0.00 -0.05 1.10 -0.51 -0.49 0.00 0.00 175.26 175.31 1p8x s LEU 661 N -2.09 4.19 0.10 1.80 1.43 -1.26 -4.86 118.68 117.99 1p8x s LEU 661 Ca 0.52 1.55 0.03 0.00 -1.03 0.00 0.00 54.13 55.20 1p8x s LEU 661 Cb -0.29 -3.55 -0.04 0.00 0.03 0.00 0.00 46.19 42.34 1p8x s LEU 661 CO 0.37 -0.61 -0.09 -0.04 0.23 0.00 0.00 176.35 176.21 1p8x s MET 662 N 2.75 0.86 0.29 1.70 -1.94 -1.26 -0.94 119.30 120.76 1p8x s MET 662 Ca 0.49 -1.22 0.04 0.00 -1.71 0.00 0.00 55.69 53.28 1p8x s MET 662 Cb -0.19 -0.45 0.69 0.00 2.01 0.00 0.00 34.83 36.89 1p8x s MET 662 CO 0.14 0.05 1.74 0.37 -0.01 0.00 0.00 175.02 177.31 1p8x h GLN 663 N 3.35 0.58 -0.00 2.03 4.15 -1.83 0.12 115.11 123.50 1p8x h GLN 663 Ca -0.37 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.02 1p8x h GLN 663 Cb 1.18 -0.13 -0.00 0.00 0.21 0.00 0.00 27.48 28.74 1p8x h GLN 663 CO 0.57 0.38 0.01 1.49 -1.93 0.00 0.00 178.83 179.35 1p8x h GLU 664 N 0.60 0.00 0.00 1.69 4.22 -1.96 -1.17 114.58 117.96 1p8x h GLU 664 Ca 0.55 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.99 1p8x h GLU 664 Cb 0.92 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.17 1p8x h GLU 664 CO -0.43 0.00 0.00 -0.44 -2.18 0.00 0.00 179.01 175.96 1p8x h ASP 665 N 0.00 0.00 -2.81 1.04 3.32 -1.17 -3.41 116.42 113.39 1p8x h ASP 665 Ca 0.00 0.00 -0.56 0.00 0.02 0.00 0.00 57.03 56.50 1p8x h ASP 665 Cb 0.01 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 39.48 1p8x h ASP 665 CO -0.00 0.00 0.96 -0.76 -1.72 0.00 0.00 179.24 177.72 1p8x s LEU 666 N -5.47 3.43 -0.46 1.55 1.43 -0.44 -4.94 118.68 113.77 1p8x s LEU 666 Ca 0.05 -0.22 -0.28 0.00 -1.03 0.00 0.00 54.13 52.64 1p8x s LEU 666 Cb 0.09 -2.84 -0.00 0.00 0.03 0.00 0.00 46.19 43.46 1p8x s LEU 666 CO 0.54 -1.61 1.60 0.00 0.23 0.00 0.00 176.35 177.10 1p8x s ALA 667 N 5.16 2.79 0.57 4.21 0.00 -1.26 -4.87 121.76 128.37 1p8x s ALA 667 Ca 0.38 -0.24 0.39 0.00 0.00 0.00 0.00 51.96 52.48 1p8x s ALA 667 Cb -0.09 -4.06 2.12 0.00 0.00 0.00 0.00 23.12 21.09 1p8x s ALA 667 CO 0.20 -2.84 2.19 1.79 0.00 0.00 0.00 175.76 177.10 1p8x h THR 668 N 6.61 0.00 -0.00 0.00 1.35 -1.93 0.13 112.91 119.06 1p8x h THR 668 Ca -0.29 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.57 1p8x h THR 668 Cb 1.13 0.87 0.00 0.00 -1.73 0.00 0.00 68.15 68.42 1p8x h THR 668 CO 1.11 0.00 -0.45 0.47 -0.25 0.00 0.00 175.52 176.40 1p8x n ASP 669 N -2.94 0.49 -0.22 5.36 8.00 -1.26 -0.27 116.55 125.71 1p8x n ASP 669 Ca -0.03 -0.24 0.00 0.00 0.71 0.00 0.00 54.79 55.24 1p8x n ASP 669 Cb 0.14 0.20 0.00 0.00 -0.02 0.00 0.00 41.12 41.43 1p8x n ASP 669 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1p8x n ASP 670 N -1.46 1.25 -4.19 -2.24 10.43 0.44 -3.52 116.55 117.27 1p8x n ASP 670 Ca 0.06 -0.14 -0.27 0.00 2.57 0.00 0.00 54.79 57.01 1p8x n ASP 670 Cb 0.34 0.00 -0.16 0.00 1.84 0.00 0.00 41.12 43.14 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 0.02 1.55 0.15 2.53 1.01 -0.96 -0.80 120.40 123.90 1p8x s VAL 671 Ca 0.00 -0.82 0.10 0.00 0.00 0.00 0.00 61.98 61.26 1p8x s VAL 671 Cb 0.00 -1.30 -0.04 0.00 0.00 0.00 0.00 36.38 35.04 1p8x s VAL 671 CO 0.00 0.44 -0.19 -0.04 0.00 0.00 0.00 175.10 175.31 1p8x s MET 672 N -0.27 1.70 -0.20 2.72 1.00 0.47 -0.30 119.30 124.42 1p8x s MET 672 Ca 0.03 -1.31 -0.00 0.00 0.00 0.00 0.00 55.69 54.41 1p8x s MET 672 Cb -0.09 -2.02 0.01 0.00 0.00 0.00 0.00 34.83 32.73 1p8x s MET 672 CO 0.01 0.45 -0.15 -0.51 0.00 0.00 0.00 175.02 174.82 1p8x s LEU 673 N -2.39 2.44 -0.38 -0.03 1.02 0.36 -0.16 118.68 119.55 1p8x s LEU 673 Ca 0.19 -0.61 -0.06 0.00 0.02 0.00 0.00 54.13 53.67 1p8x s LEU 673 Cb -0.09 -1.56 0.07 0.00 0.02 0.00 0.00 46.19 44.62 1p8x s LEU 673 CO 0.10 -0.02 0.17 -0.22 0.02 0.00 0.00 176.35 176.40 1p8x s LEU 674 N 1.34 4.74 -0.47 1.79 0.20 -0.05 -0.20 118.68 126.02 1p8x s LEU 674 Ca 0.05 -1.44 -0.17 0.00 0.69 0.00 0.00 54.13 53.25 1p8x s LEU 674 Cb -0.14 -1.89 0.05 0.00 -0.43 0.00 0.00 46.19 43.79 1p8x s LEU 674 CO -0.10 -0.43 0.48 -0.62 -0.29 0.00 0.00 176.35 175.39 1p8x s ASP 675 N 1.72 6.18 -0.14 3.68 -1.08 0.63 -0.57 116.67 127.09 1p8x s ASP 675 Ca 0.01 -0.99 0.17 0.00 -0.52 0.00 0.00 52.55 51.22 1p8x s ASP 675 Cb -0.21 -2.23 0.75 0.00 -1.46 0.00 0.00 42.92 39.76 1p8x s ASP 675 CO 0.01 -0.70 1.66 0.35 0.52 0.00 0.00 175.17 177.01 1p8x n THR 676 N 5.40 2.02 0.00 1.71 -2.24 -0.44 -1.28 114.28 119.45 1p8x n THR 676 Ca -0.09 -1.22 0.00 0.00 -2.27 0.00 0.00 64.05 60.47 1p8x n THR 676 Cb 0.45 0.03 0.00 0.00 -2.10 0.00 0.00 70.33 68.71 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 1.03 0.00 1.24 4.78 -0.00 -1.26 -4.31 117.44 118.92 1p8x n TRP 677 Ca 0.26 0.00 0.11 0.00 -0.00 0.00 0.00 57.50 57.87 1p8x n TRP 677 Cb 0.96 0.00 0.62 0.00 -0.00 0.00 0.00 31.31 32.89 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 2.17 0.00 -3.59 5.87 3.85 -1.26 -4.81 116.55 118.78 1p8x n ASP 678 Ca 0.00 -0.38 -0.08 0.00 -0.71 0.00 0.00 54.79 53.62 1p8x n ASP 678 Cb 0.00 -0.14 -0.04 0.00 -1.35 0.00 0.00 41.12 39.59 1p8x n ASP 678 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.20 174.61 1p8x s GLN 679 N -2.28 0.48 -0.16 0.11 0.74 -1.26 -4.43 119.66 112.87 1p8x s GLN 679 Ca 0.28 0.07 0.01 0.00 0.05 0.00 0.00 55.36 55.77 1p8x s GLN 679 Cb 0.15 0.22 0.01 0.00 1.10 0.00 0.00 33.01 34.50 1p8x s GLN 679 CO 0.30 -0.16 -0.19 0.08 -0.55 0.00 0.00 175.29 174.76 1p8x s VAL 680 N -1.32 2.22 -0.08 1.34 1.01 -0.83 -1.33 120.40 121.41 1p8x s VAL 680 Ca 0.02 -0.91 -0.11 0.00 0.00 0.00 0.00 61.98 60.98 1p8x s VAL 680 Cb -0.01 -1.91 -0.05 0.00 0.00 0.00 0.00 36.38 34.41 1p8x s VAL 680 CO -0.02 0.54 0.26 -0.36 0.00 0.00 0.00 175.10 175.52 1p8x s PHE 681 N 0.99 3.64 -0.32 5.22 0.08 0.26 -1.01 117.98 126.84 1p8x s PHE 681 Ca -0.02 0.71 -0.01 0.00 0.12 0.00 0.00 56.93 57.72 1p8x s PHE 681 Cb -0.15 -2.11 0.06 0.00 -0.57 0.00 0.00 43.02 40.26 1p8x s PHE 681 CO -0.05 0.65 0.04 0.08 -0.10 0.00 0.00 175.22 175.84 1p8x s VAL 682 N -0.90 2.97 -0.23 -0.44 1.01 0.33 -0.87 120.40 122.27 1p8x s VAL 682 Ca 0.18 -1.58 -0.15 0.00 0.00 0.00 0.00 61.98 60.44 1p8x s VAL 682 Cb -0.14 -2.81 -0.04 0.00 0.00 0.00 0.00 36.38 33.40 1p8x s VAL 682 CO 0.07 -0.25 0.35 0.86 0.00 0.00 0.00 175.10 176.14 1p8x s TRP 683 N 1.20 3.32 -0.37 5.22 -0.00 0.77 -0.09 118.94 128.99 1p8x s TRP 683 Ca -0.02 0.47 -0.12 0.00 -0.00 0.00 0.00 56.10 56.43 1p8x s TRP 683 Cb -0.20 -2.50 0.01 0.00 -0.00 0.00 0.00 33.47 30.78 1p8x s TRP 683 CO -0.02 -0.08 0.23 0.08 -0.00 0.00 0.00 176.95 177.16 1p8x s VAL 684 N 1.56 4.91 0.53 5.86 1.01 0.47 -0.40 120.40 134.34 1p8x s VAL 684 Ca 0.16 -0.61 -0.21 0.00 0.00 0.00 0.00 61.98 61.31 1p8x s VAL 684 Cb -0.15 -3.66 -0.05 0.00 0.00 0.00 0.00 36.38 32.52 1p8x s VAL 684 CO 0.08 -0.17 1.24 -0.83 0.00 0.00 0.00 175.10 175.42 1p8x s GLY 685 N 1.63 2.80 0.20 4.51 0.00 0.02 -2.06 107.32 114.42 1p8x s GLY 685 Ca 0.04 1.08 -0.11 0.00 0.00 0.00 0.00 44.72 45.73 1p8x s GLY 685 CO 0.08 1.53 1.71 1.70 0.00 0.00 0.00 173.10 178.12 1p8x h LYS 686 N 1.45 0.24 -0.74 2.90 3.64 -1.78 -2.50 116.57 119.77 1p8x h LYS 686 Ca -0.50 -0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 58.76 1p8x h LYS 686 Cb 1.28 -0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 32.99 1p8x h LYS 686 CO 0.57 0.16 0.13 -0.25 -2.27 0.00 0.00 179.45 177.79 1p8x n ASP 687 N -5.13 4.59 -4.89 4.20 8.00 0.62 -4.98 116.55 118.96 1p8x n ASP 687 Ca 0.08 -2.90 -0.29 0.00 0.71 0.00 0.00 54.79 52.38 1p8x n ASP 687 Cb 0.29 -0.68 0.02 0.00 -0.02 0.00 0.00 41.12 40.73 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 -0.69 5.98 0.22 -2.24 1.04 -0.94 -4.66 113.70 112.40 1p8x s SER 688 Ca 0.45 1.13 -0.17 0.00 0.48 0.00 0.00 55.95 57.84 1p8x s SER 688 Cb 0.35 -2.19 -0.08 0.00 0.10 0.00 0.00 66.02 64.21 1p8x s SER 688 CO 0.12 -0.92 0.67 -1.10 0.98 0.00 0.00 173.24 172.99 1p8x s GLN 689 N -5.08 4.11 0.36 4.02 -0.21 -1.26 -4.97 119.66 116.64 1p8x s GLN 689 Ca 0.54 0.70 0.04 0.00 0.02 0.00 0.00 55.36 56.66 1p8x s GLN 689 Cb -0.11 -2.81 0.70 0.00 1.00 0.00 0.00 33.01 31.80 1p8x s GLN 689 CO 0.50 0.37 2.00 1.49 -2.12 0.00 0.00 175.29 177.53 1p8x h GLU 690 N 3.22 0.76 -0.12 2.91 4.57 -2.00 -0.36 114.58 123.56 1p8x h GLU 690 Ca -0.48 -0.05 -0.03 0.00 -1.18 0.00 0.00 59.36 57.62 1p8x h GLU 690 Cb 1.19 -0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 29.60 1p8x h GLU 690 CO 0.66 0.50 -0.07 0.93 -1.18 0.00 0.00 179.01 179.85 1p8x h GLU 691 N 0.79 0.18 0.00 1.92 3.07 -1.99 -1.84 114.58 116.70 1p8x h GLU 691 Ca 0.25 -0.03 -0.10 0.00 -0.50 0.00 0.00 59.36 58.98 1p8x h GLU 691 Cb 0.04 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 27.91 1p8x h GLU 691 CO -0.07 0.27 -0.49 0.93 -1.40 0.00 0.00 179.01 178.25 1p8x h GLU 692 N 0.18 0.00 -0.13 2.33 5.08 -1.45 -1.53 114.58 119.05 1p8x h GLU 692 Ca 0.04 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.28 1p8x h GLU 692 Cb 0.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.50 1p8x h GLU 692 CO 0.01 0.49 -0.37 -0.22 -1.00 0.00 0.00 179.01 177.92 1p8x h LYS 693 N 0.00 0.49 -0.12 2.33 3.64 -1.22 -1.08 116.57 120.61 1p8x h LYS 693 Ca -0.00 -0.35 0.03 0.00 -1.27 0.00 0.00 60.65 59.06 1p8x h LYS 693 Cb 0.95 0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.80 1p8x h LYS 693 CO 0.06 0.96 -0.05 1.15 -2.27 0.00 0.00 179.45 179.31 1p8x h THR 694 N 0.09 0.83 -0.15 1.00 2.02 -1.24 0.13 112.91 115.59 1p8x h THR 694 Ca -0.01 0.00 -0.11 0.00 0.77 0.00 0.00 66.41 67.06 1p8x h THR 694 Cb 0.99 0.83 -0.01 0.00 -1.74 0.00 0.00 68.15 68.21 1p8x h THR 694 CO 0.08 0.00 -0.37 -0.33 0.37 0.00 0.00 175.52 175.27 1p8x h GLU 695 N -0.03 0.33 -0.58 6.66 4.39 -1.31 -2.31 114.58 121.73 1p8x h GLU 695 Ca 0.07 -0.15 -0.05 0.00 0.34 0.00 0.00 59.36 59.57 1p8x h GLU 695 Cb 0.13 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.75 1p8x h GLU 695 CO -0.14 0.66 0.16 0.00 -1.16 0.00 0.00 179.01 178.52 1p8x h ALA 696 N 1.33 0.77 -0.55 3.43 0.00 -0.74 0.40 119.26 123.91 1p8x h ALA 696 Ca 0.03 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.68 1p8x h ALA 696 Cb 0.79 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 1p8x h ALA 696 CO 0.06 0.46 0.15 -0.07 0.00 0.00 0.00 179.25 179.86 1p8x h LEU 697 N 0.84 0.77 -0.59 0.00 3.38 -0.43 -0.22 115.31 119.05 1p8x h LEU 697 Ca 0.18 -0.13 -0.12 0.00 0.09 0.00 0.00 57.88 57.90 1p8x h LEU 697 Cb 0.33 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1p8x h LEU 697 CO -0.00 0.74 -0.21 0.74 0.09 0.00 0.00 178.44 179.79 1p8x h THR 698 N 0.80 1.27 -0.54 0.22 2.02 -0.98 -1.16 112.91 114.55 1p8x h THR 698 Ca 0.18 -1.36 -0.08 0.00 0.77 0.00 0.00 66.41 65.93 1p8x h THR 698 Cb 0.26 1.15 -0.02 0.00 -1.74 0.00 0.00 68.15 67.80 1p8x h THR 698 CO -0.01 0.46 0.02 0.28 0.37 0.00 0.00 175.52 176.65 1p8x h SER 699 N 0.78 0.86 -0.69 4.18 0.02 -0.47 0.16 113.55 118.40 1p8x h SER 699 Ca 0.11 -0.21 -0.01 0.00 -0.84 0.00 0.00 61.79 60.83 1p8x h SER 699 Cb 0.76 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 63.04 1p8x h SER 699 CO 0.06 0.91 0.40 0.00 -1.14 0.00 0.00 176.83 177.06 1p8x h ALA 700 N 1.18 0.88 -0.40 3.77 0.00 -0.72 0.24 119.26 124.21 1p8x h ALA 700 Ca 0.16 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1p8x h ALA 700 Cb 0.46 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1p8x h ALA 700 CO 0.02 0.37 0.11 -0.22 0.00 0.00 0.00 179.25 179.54 1p8x h LYS 701 N 0.94 0.64 -0.40 0.00 3.64 -0.68 -1.97 116.57 118.74 1p8x h LYS 701 Ca 0.25 -0.14 0.01 0.00 -1.27 0.00 0.00 60.65 59.49 1p8x h LYS 701 Cb 0.00 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.71 1p8x h LYS 701 CO -0.04 0.64 0.25 -0.09 -2.27 0.00 0.00 179.45 177.94 1p8x h ARG 702 N 0.51 0.49 -0.71 1.90 2.43 -0.20 0.11 114.38 118.92 1p8x h ARG 702 Ca 0.13 -0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.28 1p8x h ARG 702 Cb 0.28 -0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 29.68 1p8x h ARG 702 CO -0.00 0.32 0.46 1.88 -1.51 0.00 0.00 179.97 181.12 1p8x h TYR 703 N 0.51 0.87 -0.32 2.20 0.99 -0.37 -0.14 116.97 120.71 1p8x h TYR 703 Ca 0.15 0.02 -0.15 0.00 2.00 0.00 0.00 58.73 60.76 1p8x h TYR 703 Cb -0.03 -0.29 -0.01 0.00 1.00 0.00 0.00 36.73 37.41 1p8x h TYR 703 CO -0.06 0.53 -0.39 0.82 -0.00 0.00 0.00 178.16 179.06 1p8x h ILE 704 N 0.92 1.29 0.00 -2.88 2.04 -0.90 -3.20 117.51 114.77 1p8x h ILE 704 Ca 0.27 -1.56 0.00 0.00 1.00 0.00 0.00 64.86 64.57 1p8x h ILE 704 Cb -0.06 1.46 0.00 0.00 -0.74 0.00 0.00 36.82 37.48 1p8x h ILE 704 CO -0.08 0.51 -0.13 -0.62 0.00 0.00 0.00 178.15 177.83 1p8x n GLU 705 N -4.04 0.08 -0.34 2.37 1.02 -0.01 -4.37 120.64 115.34 1p8x n GLU 705 Ca -0.02 0.05 0.08 0.00 -0.02 0.00 0.00 57.16 57.25 1p8x n GLU 705 Cb 0.53 -1.58 0.27 0.00 -0.02 0.00 0.00 31.44 30.64 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 0.00 0.91 -2.66 2.62 2.02 -1.02 -3.29 112.91 111.49 1p8x h THR 706 Ca 0.00 -0.32 -0.60 0.00 0.77 0.00 0.00 66.41 66.26 1p8x h THR 706 Cb 0.57 -0.11 -0.39 0.00 -1.74 0.00 0.00 68.15 66.47 1p8x h THR 706 CO 0.00 0.17 -0.84 -0.62 0.37 0.00 0.00 175.52 174.60 1p8x s ASP 707 N -5.72 2.78 0.45 4.18 3.68 -1.26 -5.00 116.67 115.79 1p8x s ASP 707 Ca -0.11 -2.77 0.22 0.00 2.13 0.00 0.00 52.55 52.01 1p8x s ASP 707 Cb 0.22 -0.69 1.21 0.00 -1.45 0.00 0.00 42.92 42.20 1p8x s ASP 707 CO 0.80 -0.23 1.86 -0.65 0.13 0.00 0.00 175.17 177.09 1p8x h PRO 708 N 6.30 0.27 0.00 4.34 0.11 -1.82 0.62 132.00 141.82 1p8x h PRO 708 Ca 0.12 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.22 1p8x h PRO 708 Cb 0.92 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.96 1p8x h PRO 708 CO 0.40 0.18 0.00 0.00 -0.21 0.00 0.00 178.00 178.37 1p8x h ALA 709 N 1.60 1.00 -0.20 -0.75 0.00 -1.94 -3.31 119.26 115.66 1p8x h ALA 709 Ca 0.46 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.37 1p8x h ALA 709 Cb 1.34 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1p8x h ALA 709 CO -0.13 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.21 1p8x n ASN 710 N -2.72 2.53 -3.65 0.00 3.02 0.21 -4.97 115.26 109.66 1p8x n ASN 710 Ca 0.01 -2.00 -0.12 0.00 -0.03 0.00 0.00 54.58 52.44 1p8x n ASN 710 Cb 0.28 -0.13 -0.08 0.00 -0.61 0.00 0.00 39.78 39.24 1p8x n ASN 710 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1p8x s ARG 711 N -1.01 0.71 -0.07 3.52 1.70 -1.22 -5.09 118.95 117.50 1p8x s ARG 711 Ca 0.13 0.97 -0.37 0.00 -0.47 0.00 0.00 55.73 55.99 1p8x s ARG 711 Cb 0.07 0.28 -0.15 0.00 -0.57 0.00 0.00 34.95 34.57 1p8x s ARG 711 CO 0.09 -0.11 1.59 -3.47 -1.08 0.00 0.00 175.30 172.32 1p8x n ASP 712 N 3.26 2.33 0.11 -2.89 2.03 -1.26 -4.79 116.55 115.35 1p8x n ASP 712 Ca -0.16 1.08 0.08 0.00 0.52 0.00 0.00 54.79 56.31 1p8x n ASP 712 Cb 0.56 -1.22 0.42 0.00 -0.72 0.00 0.00 41.12 40.16 1p8x n ASP 712 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1p8x n ARG 713 N 4.25 0.10 -0.57 -0.67 3.00 -1.26 -1.38 116.66 120.13 1p8x n ARG 713 Ca 0.22 0.58 0.09 0.00 -0.01 0.00 0.00 57.85 58.73 1p8x n ARG 713 Cb 0.19 -1.82 0.34 0.00 0.00 0.00 0.00 32.46 31.18 1p8x n ARG 713 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 1p8x n ARG 714 N -2.03 3.53 -1.67 5.56 1.74 -1.26 -4.97 116.66 117.55 1p8x n ARG 714 Ca -0.01 -2.72 -0.51 0.00 -0.77 0.00 0.00 57.85 53.85 1p8x n ARG 714 Cb 0.04 -1.84 -0.05 0.00 -1.02 0.00 0.00 32.46 29.59 1p8x n ARG 714 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 1p8x n THR 715 N 1.13 0.27 -2.36 0.55 -1.04 -0.48 -4.91 114.28 107.43 1p8x n THR 715 Ca 0.25 -0.05 -0.34 0.00 -2.04 0.00 0.00 64.05 61.87 1p8x n THR 715 Cb 0.83 -1.44 -0.02 0.00 -1.82 0.00 0.00 70.33 67.89 1p8x n THR 715 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1p8x s PRO 716 N 2.51 3.63 -0.14 -2.82 0.04 -1.26 -4.92 135.00 132.03 1p8x s PRO 716 Ca 0.89 1.30 0.02 0.00 0.04 0.00 0.00 61.00 63.25 1p8x s PRO 716 Cb -0.83 -2.07 0.01 0.00 0.04 0.00 0.00 34.50 31.64 1p8x s PRO 716 CO 0.51 -0.56 -0.20 0.42 0.04 0.00 0.00 177.00 177.21 1p8x s ILE 717 N -2.16 2.26 -0.18 0.56 1.01 -1.26 -1.96 121.20 119.47 1p8x s ILE 717 Ca 0.66 -0.91 0.01 0.00 0.00 0.00 0.00 60.65 60.40 1p8x s ILE 717 Cb -0.16 -1.92 0.02 0.00 0.01 0.00 0.00 42.46 40.40 1p8x s ILE 717 CO 0.26 0.54 -0.18 -0.89 0.00 0.00 0.00 174.94 174.67 1p8x s THR 718 N 0.81 2.22 0.01 2.92 2.01 -0.18 -4.99 115.64 118.44 1p8x s THR 718 Ca -0.07 -0.89 -0.22 0.00 0.31 0.00 0.00 61.69 60.82 1p8x s THR 718 Cb -0.15 -1.94 -0.05 0.00 0.01 0.00 0.00 72.50 70.37 1p8x s THR 718 CO -0.01 0.53 0.67 -0.69 -0.69 0.00 0.00 174.62 174.43 1p8x s VAL 719 N 1.24 4.84 -0.03 3.82 1.01 -1.26 -0.51 120.40 129.51 1p8x s VAL 719 Ca 0.03 1.41 0.03 0.00 0.00 0.00 0.00 61.98 63.45 1p8x s VAL 719 Cb -0.13 -4.01 0.00 0.00 0.00 0.00 0.00 36.38 32.24 1p8x s VAL 719 CO -0.10 0.39 -0.11 -0.69 0.00 0.00 0.00 175.10 174.59 1p8x s VAL 720 N -0.08 0.93 0.02 2.92 1.01 0.86 -4.90 120.40 121.16 1p8x s VAL 720 Ca 0.34 -0.44 -0.07 0.00 0.00 0.00 0.00 61.98 61.82 1p8x s VAL 720 Cb -0.19 -0.82 -0.05 0.00 0.00 0.00 0.00 36.38 35.32 1p8x s VAL 720 CO 0.20 0.29 0.28 -0.54 0.00 0.00 0.00 175.10 175.32 1p8x s LYS 721 N 0.18 3.60 0.16 2.72 1.02 -1.26 -0.40 119.74 125.76 1p8x s LYS 721 Ca -0.04 -0.06 -0.34 0.00 0.02 0.00 0.00 55.97 55.56 1p8x s LYS 721 Cb -0.09 -3.07 -0.15 0.00 -0.52 0.00 0.00 37.83 34.00 1p8x s LYS 721 CO 0.01 0.64 1.33 0.94 -0.92 0.00 0.00 175.35 177.35 1p8x n GLN 722 N 1.06 1.49 -0.01 1.68 7.27 -0.88 -0.79 117.38 127.20 1p8x n GLN 722 Ca -0.11 0.53 0.00 0.00 0.07 0.00 0.00 57.00 57.50 1p8x n GLN 722 Cb 0.53 -2.15 0.00 0.00 2.41 0.00 0.00 30.24 31.03 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 2.42 1.80 1.33 1.69 0.00 -1.26 -4.85 105.19 106.32 1p8x n GLY 723 Ca 0.16 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.17 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 0.67 -2.68 1.61 3.01 0.03 -5.07 117.46 113.02 1p8x n PHE 724 Ca 0.00 -1.47 -0.36 0.00 1.01 0.00 0.00 57.45 56.63 1p8x n PHE 724 Cb 0.00 -0.24 -0.05 0.00 -0.01 0.00 0.00 39.48 39.17 1p8x n PHE 724 CO 0.00 0.00 0.00 -1.83 1.01 0.00 0.00 176.76 175.94 1p8x s GLU 725 N -2.59 4.33 0.52 -1.08 1.03 -1.24 -4.63 118.70 115.04 1p8x s GLU 725 Ca 0.38 1.37 -0.12 0.00 0.03 0.00 0.00 54.97 56.64 1p8x s GLU 725 Cb 0.38 -2.57 -0.06 0.00 -0.80 0.00 0.00 34.13 31.08 1p8x s GLU 725 CO -0.07 0.03 0.92 -1.25 -1.33 0.00 0.00 175.26 173.57 1p8x s PRO 726 N -2.46 3.74 0.40 -4.83 0.04 -1.26 -4.89 135.00 125.74 1p8x s PRO 726 Ca 0.56 0.67 0.15 0.00 0.04 0.00 0.00 61.00 62.42 1p8x s PRO 726 Cb -0.18 -2.21 1.00 0.00 0.04 0.00 0.00 34.50 33.15 1p8x s PRO 726 CO 0.23 -0.30 1.85 -1.35 0.04 0.00 0.00 177.00 177.47 1p8x h PRO 727 N 0.49 0.48 0.00 0.56 0.11 -1.94 0.58 132.00 132.28 1p8x h PRO 727 Ca -0.46 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1p8x h PRO 727 Cb 1.19 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1p8x h PRO 727 CO 0.62 0.31 0.00 0.66 -0.21 0.00 0.00 178.00 179.39 1p8x h SER 728 N 0.49 0.00 0.03 -2.05 4.64 -1.89 -0.86 113.55 113.91 1p8x h SER 728 Ca 0.47 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 61.46 1p8x h SER 728 Cb 1.05 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.10 1p8x h SER 728 CO -0.20 0.00 -1.80 0.33 -0.87 0.00 0.00 176.83 174.29 1p8x n PHE 729 N -2.43 0.75 0.14 4.77 7.35 0.12 -4.38 117.46 123.78 1p8x n PHE 729 Ca 0.01 0.27 0.05 0.00 -0.76 0.00 0.00 57.45 57.01 1p8x n PHE 729 Cb 0.18 -1.08 0.48 0.00 0.35 0.00 0.00 39.48 39.41 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 -0.71 1.11 0.00 -2.13 2.07 -1.08 -2.12 116.25 113.39 1p8x h VAL 730 Ca -0.47 -0.43 0.00 0.00 0.82 0.00 0.00 66.70 66.63 1p8x h VAL 730 Cb 1.57 1.02 0.00 0.00 -1.52 0.00 0.00 31.29 32.36 1p8x h VAL 730 CO -0.19 0.14 0.12 1.23 0.02 0.00 0.00 177.57 178.89 1p8x h GLY 731 N 0.48 0.00 0.50 2.17 0.00 -1.36 -1.43 103.07 103.42 1p8x h GLY 731 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.38 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 -2.86 0.00 -4.10 5.60 7.02 -0.80 -4.86 117.44 117.45 1p8x n TRP 732 Ca -0.02 -0.00 -0.27 0.00 -1.02 0.00 0.00 57.50 56.18 1p8x n TRP 732 Cb 0.17 0.00 -0.06 0.00 -2.42 0.00 0.00 31.31 29.00 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 -2.00 3.10 -0.50 -5.99 0.40 -0.54 -4.67 117.98 107.78 1p8x s PHE 733 Ca 0.44 -0.02 -0.19 0.00 -0.60 0.00 0.00 56.93 56.57 1p8x s PHE 733 Cb 0.21 -1.51 0.06 0.00 0.51 0.00 0.00 43.02 42.29 1p8x s PHE 733 CO 0.35 0.52 0.61 -1.17 0.70 0.00 0.00 175.22 176.23 1p8x s LEU 734 N -2.89 4.98 0.02 -0.37 2.96 -0.12 -4.83 118.68 118.42 1p8x s LEU 734 Ca 0.30 -0.90 0.00 0.00 -0.22 0.00 0.00 54.13 53.31 1p8x s LEU 734 Cb -0.10 -2.44 0.00 0.00 0.50 0.00 0.00 46.19 44.14 1p8x s LEU 734 CO 0.22 -0.87 0.00 0.61 -1.32 0.00 0.00 176.35 174.99 1p8x n GLY 735 N 5.16 -2.95 3.63 7.98 0.00 -1.26 -4.67 105.19 113.09 1p8x n GLY 735 Ca -0.07 -1.21 -0.12 0.00 0.00 0.00 0.00 46.02 44.62 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 -2.91 -0.75 -0.18 1.61 -0.11 -1.26 -4.44 118.94 110.90 1p8x s TRP 736 Ca 0.00 1.78 0.00 0.00 1.22 0.00 0.00 56.10 59.10 1p8x s TRP 736 Cb 0.00 0.33 0.04 0.00 -1.50 0.00 0.00 33.47 32.34 1p8x s TRP 736 CO 0.00 -0.36 -0.09 0.34 -4.62 0.00 0.00 176.95 172.22 1p8x s ASP 737 N 0.50 3.14 0.54 5.86 3.68 -1.26 -4.87 116.67 124.26 1p8x s ASP 737 Ca -0.01 -0.77 0.21 0.00 2.13 0.00 0.00 52.55 54.11 1p8x s ASP 737 Cb -0.05 -1.13 1.39 0.00 -1.45 0.00 0.00 42.92 41.68 1p8x s ASP 737 CO -0.03 -0.15 2.11 0.44 0.13 0.00 0.00 175.17 177.67 1p8x h ASP 738 N 8.03 0.00 0.05 -0.34 5.19 -2.03 0.29 116.42 127.61 1p8x h ASP 738 Ca -0.28 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.13 1p8x h ASP 738 Cb 1.11 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.62 1p8x h ASP 738 CO 0.46 0.00 -0.07 0.47 -3.12 0.00 0.00 179.24 176.98 1p8x n ASP 739 N -4.36 1.40 -0.36 6.45 8.00 -1.26 -4.39 116.55 122.03 1p8x n ASP 739 Ca 0.01 -1.34 0.34 0.00 0.71 0.00 0.00 54.79 54.51 1p8x n ASP 739 Cb 0.26 0.04 0.70 0.00 -0.02 0.00 0.00 41.12 42.09 1p8x n ASP 739 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 1p8x h TYR 740 N 2.08 0.18 -0.02 1.24 5.03 -1.34 -3.56 116.97 120.58 1p8x h TYR 740 Ca 0.00 0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.32 1p8x h TYR 740 Cb 0.51 -0.05 0.00 0.00 1.55 0.00 0.00 36.73 38.74 1p8x h TYR 740 CO 0.00 -0.00 0.00 0.91 -1.32 0.00 0.00 178.16 177.75