#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pvy h VAL 463 N 0.00 0.53 0.00 1.61 2.07 -1.95 -3.25 116.25 115.25 2pvy h VAL 463 Ca 0.00 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.48 2pvy h VAL 463 Cb 0.00 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 30.17 2pvy h VAL 463 CO 0.00 0.02 0.00 -1.54 0.02 0.00 0.00 177.57 176.07 2pvy n SER 464 N -5.27 0.00 -4.50 0.57 3.41 -1.26 -3.51 113.62 103.06 2pvy n SER 464 Ca 0.08 0.55 -0.36 0.00 -0.26 0.00 0.00 58.87 58.87 2pvy n SER 464 Cb 0.33 -0.05 -0.03 0.00 -0.26 0.00 0.00 64.21 64.20 2pvy n SER 464 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2pvy n GLU 465 N -0.73 2.42 -3.58 4.33 4.71 -1.24 -4.79 120.64 121.75 2pvy n GLU 465 Ca 0.00 -2.84 -0.14 0.00 -0.01 0.00 0.00 57.16 54.17 2pvy n GLU 465 Cb 0.00 -3.57 -0.06 0.00 -1.01 0.00 0.00 31.44 26.80 2pvy n GLU 465 CO 0.00 0.00 0.00 -0.47 0.09 0.00 0.00 177.13 176.75 2pvy s TYR 466 N 7.21 -0.65 -0.03 -0.32 5.04 -1.23 -4.86 117.35 122.52 2pvy s TYR 466 Ca 0.60 1.36 -0.00 0.00 -2.44 0.00 0.00 57.07 56.59 2pvy s TYR 466 Cb 0.03 0.36 0.03 0.00 0.35 0.00 0.00 41.96 42.72 2pvy s TYR 466 CO 0.10 -0.44 0.02 -1.21 -1.34 0.00 0.00 175.55 172.67 2pvy s GLU 467 N -0.43 0.15 0.09 4.97 2.02 -1.26 -5.01 118.70 119.23 2pvy s GLU 467 Ca -0.04 0.15 -0.31 0.00 0.02 0.00 0.00 54.97 54.79 2pvy s GLU 467 Cb -0.03 -0.42 -0.08 0.00 0.10 0.00 0.00 34.13 33.71 2pvy s GLU 467 CO 0.04 -0.17 1.44 -0.51 0.02 0.00 0.00 175.26 176.08 2pvy s LEU 468 N 1.18 4.36 0.74 1.80 1.02 -1.26 -5.01 118.68 121.51 2pvy s LEU 468 Ca -0.08 2.33 -0.12 0.00 0.02 0.00 0.00 54.13 56.28 2pvy s LEU 468 Cb -0.13 -3.58 0.04 0.00 0.02 0.00 0.00 46.19 42.54 2pvy s LEU 468 CO -0.02 -0.71 1.10 -2.16 0.02 0.00 0.00 176.35 174.57 2pvy s PRO 469 N 1.59 2.40 0.26 1.29 0.04 -1.26 -4.92 135.00 134.40 2pvy s PRO 469 Ca 0.66 1.24 -0.26 0.00 0.04 0.00 0.00 61.00 62.67 2pvy s PRO 469 Cb -0.37 -1.91 -0.09 0.00 0.04 0.00 0.00 34.50 32.17 2pvy s PRO 469 CO 0.30 -1.54 0.88 -1.83 0.04 0.00 0.00 177.00 174.85 2pvy s GLU 470 N -4.67 4.61 -0.42 4.56 1.03 -1.26 -4.97 118.70 117.59 2pvy s GLU 470 Ca 0.63 1.28 0.06 0.00 0.03 0.00 0.00 54.97 56.97 2pvy s GLU 470 Cb -0.18 -3.02 0.20 0.00 -0.80 0.00 0.00 34.13 30.33 2pvy s GLU 470 CO 0.52 0.41 0.46 -3.47 -1.33 0.00 0.00 175.26 171.85 2pvy n ASP 471 N 1.01 -0.63 -0.32 0.83 4.64 -1.26 -5.01 116.55 115.80 2pvy n ASP 471 Ca -0.01 -2.58 0.29 0.00 -1.38 0.00 0.00 54.79 51.12 2pvy n ASP 471 Cb 0.49 -0.27 0.55 0.00 -1.04 0.00 0.00 41.12 40.85 2pvy n ASP 471 CO 0.00 0.00 0.00 -0.65 -0.82 0.00 0.00 177.20 175.73 2pvy h PRO 472 N 4.92 0.03 -0.61 -0.67 0.11 -1.95 -0.97 132.00 132.86 2pvy h PRO 472 Ca 0.16 -0.00 0.11 0.00 0.11 0.00 0.00 66.00 66.38 2pvy h PRO 472 Cb 0.92 -0.01 -0.08 0.00 0.11 0.00 0.00 31.00 31.94 2pvy h PRO 472 CO 0.37 0.02 0.16 -0.22 -0.21 0.00 0.00 178.00 178.13 2pvy h LYS 473 N 0.03 0.30 0.00 1.05 3.64 -2.03 -3.06 116.57 116.50 2pvy h LYS 473 Ca 0.81 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 60.18 2pvy h LYS 473 Cb 2.09 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 33.84 2pvy h LYS 473 CO -0.77 0.20 -1.49 0.91 -2.27 0.00 0.00 179.45 176.02 2pvy n TRP 474 N -5.09 0.15 -1.72 1.91 7.02 -0.45 -4.99 117.44 114.27 2pvy n TRP 474 Ca 0.09 0.04 -0.41 0.00 -1.02 0.00 0.00 57.50 56.21 2pvy n TRP 474 Cb 0.32 -0.43 0.01 0.00 -2.42 0.00 0.00 31.31 28.79 2pvy n TRP 474 CO 0.00 0.00 0.00 -1.91 -2.02 0.00 0.00 177.69 173.76 2pvy n GLU 475 N -2.08 2.09 -4.27 -0.99 4.07 -0.72 -1.77 120.64 116.96 2pvy n GLU 475 Ca -0.01 0.74 -0.20 0.00 -0.06 0.00 0.00 57.16 57.63 2pvy n GLU 475 Cb 0.49 -2.47 -0.16 0.00 -0.06 0.00 0.00 31.44 29.24 2pvy n GLU 475 CO 0.00 0.00 0.00 0.12 -0.06 0.00 0.00 177.13 177.19 2pvy s PHE 476 N -1.18 0.86 0.09 4.31 5.36 0.96 -4.75 117.98 123.63 2pvy s PHE 476 Ca 0.60 -0.24 -0.31 0.00 -0.96 0.00 0.00 56.93 56.02 2pvy s PHE 476 Cb -0.49 -0.69 -0.10 0.00 -0.34 0.00 0.00 43.02 41.39 2pvy s PHE 476 CO 0.59 -0.17 1.87 -0.35 -1.46 0.00 0.00 175.22 175.70 2pvy n PRO 477 N 3.78 2.78 -0.15 10.12 -0.04 -1.26 -4.40 135.00 145.83 2pvy n PRO 477 Ca -0.23 1.01 0.02 0.00 -0.04 0.00 0.00 63.50 64.26 2pvy n PRO 477 Cb 0.52 -2.92 0.30 0.00 -0.04 0.00 0.00 33.50 31.36 2pvy n PRO 477 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2pvy h ARG 478 N 9.03 0.84 0.00 0.54 3.08 -1.95 -1.98 114.38 123.94 2pvy h ARG 478 Ca -0.47 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.52 2pvy h ARG 478 Cb 1.23 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 31.09 2pvy h ARG 478 CO 0.95 0.56 0.00 -0.40 -1.07 0.00 0.00 179.97 180.01 2pvy n ASP 479 N -4.43 0.34 -0.91 7.04 5.75 -1.26 -2.00 116.55 121.08 2pvy n ASP 479 Ca 0.06 0.62 0.08 0.00 -0.01 0.00 0.00 54.79 55.54 2pvy n ASP 479 Cb 0.04 -0.68 0.25 0.00 -1.03 0.00 0.00 41.12 39.71 2pvy n ASP 479 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2pvy n LYS 480 N -1.92 3.03 -4.31 0.11 5.02 -0.75 -4.92 118.16 114.42 2pvy n LYS 480 Ca 0.01 -2.72 -0.29 0.00 -2.02 0.00 0.00 58.31 53.29 2pvy n LYS 480 Cb 0.11 -1.76 -0.17 0.00 -0.02 0.00 0.00 35.03 33.19 2pvy n LYS 480 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 2pvy s LEU 481 N -2.48 1.71 -0.27 -0.35 2.96 -0.85 -1.80 118.68 117.61 2pvy s LEU 481 Ca 0.40 -0.45 -0.01 0.00 -0.22 0.00 0.00 54.13 53.85 2pvy s LEU 481 Cb 0.31 -1.13 0.04 0.00 0.50 0.00 0.00 46.19 45.91 2pvy s LEU 481 CO 0.11 -0.01 -0.05 -0.89 -1.32 0.00 0.00 176.35 174.18 2pvy s THR 482 N 1.16 2.76 0.37 3.68 2.01 -0.37 -4.98 115.64 120.27 2pvy s THR 482 Ca -0.02 -1.25 -0.26 0.00 0.31 0.00 0.00 61.69 60.46 2pvy s THR 482 Cb -0.14 -2.50 -0.09 0.00 0.01 0.00 0.00 72.50 69.78 2pvy s THR 482 CO -0.05 0.06 1.17 -0.76 -0.69 0.00 0.00 174.62 174.36 2pvy s LEU 483 N 1.26 4.27 0.00 4.42 1.43 -1.26 -1.29 118.68 127.51 2pvy s LEU 483 Ca -0.03 2.37 0.00 0.00 -1.03 0.00 0.00 54.13 55.43 2pvy s LEU 483 Cb -0.18 -3.92 0.00 0.00 0.03 0.00 0.00 46.19 42.12 2pvy s LEU 483 CO -0.04 -0.57 0.00 0.61 0.23 0.00 0.00 176.35 176.58 2pvy n GLY 484 N 0.72 4.64 3.89 -3.19 0.00 0.26 -4.93 105.19 106.58 2pvy n GLY 484 Ca 0.03 -1.87 -0.30 0.00 0.00 0.00 0.00 46.02 43.88 2pvy n GLY 484 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pvy s LYS 485 N 2.32 3.70 0.50 1.61 1.02 -1.26 -4.59 119.74 123.03 2pvy s LYS 485 Ca 0.00 0.12 -0.23 0.00 0.02 0.00 0.00 55.97 55.88 2pvy s LYS 485 Cb 0.00 -2.64 -0.07 0.00 -0.52 0.00 0.00 37.83 34.59 2pvy s LYS 485 CO 0.00 0.25 1.26 -0.35 -0.92 0.00 0.00 175.35 175.59 2pvy n PRO 486 N -0.62 1.68 0.05 -1.68 -0.04 -1.26 -1.59 135.00 131.54 2pvy n PRO 486 Ca -0.01 0.61 -0.22 0.00 -0.04 0.00 0.00 63.50 63.84 2pvy n PRO 486 Cb 0.53 -2.42 -0.14 0.00 -0.04 0.00 0.00 33.50 31.43 2pvy n PRO 486 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 2pvy h LEU 487 N 1.59 0.53 -9.29 1.53 3.38 -1.96 -3.45 115.31 107.64 2pvy h LEU 487 Ca -0.49 -0.90 -0.58 0.00 0.09 0.00 0.00 57.88 56.00 2pvy h LEU 487 Cb 1.31 -0.17 -0.08 0.00 0.09 0.00 0.00 40.66 41.81 2pvy h LEU 487 CO 0.57 1.69 -0.04 -1.58 0.09 0.00 0.00 178.44 179.18 2pvy s GLN 494 N -2.53 4.33 -0.14 1.13 0.74 -1.13 -5.12 119.66 116.94 2pvy s GLN 494 Ca -0.17 0.58 0.02 0.00 0.05 0.00 0.00 55.36 55.84 2pvy s GLN 494 Cb 0.05 -3.47 0.01 0.00 1.10 0.00 0.00 33.01 30.70 2pvy s GLN 494 CO 0.82 0.05 -0.20 0.08 -0.55 0.00 0.00 175.29 175.49 2pvy s VAL 495 N 0.94 1.94 0.15 1.34 1.01 -1.25 -0.85 120.40 123.68 2pvy s VAL 495 Ca 0.29 -0.89 0.10 0.00 0.00 0.00 0.00 61.98 61.48 2pvy s VAL 495 Cb -0.16 -1.74 -0.04 0.00 0.00 0.00 0.00 36.38 34.44 2pvy s VAL 495 CO 0.12 0.52 -0.21 0.68 0.00 0.00 0.00 175.10 176.21 2pvy s VAL 496 N 1.00 2.57 0.52 2.92 -7.23 0.70 -4.46 120.40 116.42 2pvy s VAL 496 Ca -0.03 -1.77 -0.18 0.00 -1.81 0.00 0.00 61.98 58.19 2pvy s VAL 496 Cb -0.15 -2.20 -0.07 0.00 0.56 0.00 0.00 36.38 34.53 2pvy s VAL 496 CO -0.05 -0.00 1.03 -0.32 -0.31 0.00 0.00 175.10 175.44 2pvy s MET 497 N -2.39 3.70 0.16 4.82 -2.45 -0.62 0.53 119.30 123.05 2pvy s MET 497 Ca 0.19 1.22 -0.24 0.00 -1.25 0.00 0.00 55.69 55.61 2pvy s MET 497 Cb -0.09 -2.09 0.06 0.00 1.25 0.00 0.00 34.83 33.96 2pvy s MET 497 CO 0.10 -0.50 0.73 0.00 1.05 0.00 0.00 175.02 176.40 2pvy s ALA 498 N -2.27 -1.54 -0.18 4.11 0.00 0.31 0.89 121.76 123.08 2pvy s ALA 498 Ca 0.64 0.30 -0.02 0.00 0.00 0.00 0.00 51.96 52.88 2pvy s ALA 498 Cb -0.14 0.76 -0.01 0.00 0.00 0.00 0.00 23.12 23.73 2pvy s ALA 498 CO 0.27 -0.87 -0.09 -1.21 0.00 0.00 0.00 175.76 173.86 2pvy s GLU 499 N -3.63 3.37 -0.26 0.00 2.02 -0.41 -0.06 118.70 119.73 2pvy s GLU 499 Ca 0.06 -0.66 -0.01 0.00 0.02 0.00 0.00 54.97 54.38 2pvy s GLU 499 Cb -0.02 -2.83 0.03 0.00 0.10 0.00 0.00 34.13 31.41 2pvy s GLU 499 CO -0.05 -0.02 -0.06 0.00 0.02 0.00 0.00 175.26 175.15 2pvy s ALA 500 N 0.98 2.69 -0.25 5.21 0.00 -0.22 -1.24 121.76 128.94 2pvy s ALA 500 Ca -0.01 -1.54 -0.25 0.00 0.00 0.00 0.00 51.96 50.16 2pvy s ALA 500 Cb -0.15 -1.71 -0.00 0.00 0.00 0.00 0.00 23.12 21.26 2pvy s ALA 500 CO -0.01 -0.93 0.84 0.08 0.00 0.00 0.00 175.76 175.74 2pvy s VAL 501 N 1.29 4.82 0.00 0.00 1.01 -0.74 -1.04 120.40 125.74 2pvy s VAL 501 Ca -0.02 1.55 0.00 0.00 0.00 0.00 0.00 61.98 63.51 2pvy s VAL 501 Cb -0.17 -4.13 0.00 0.00 0.00 0.00 0.00 36.38 32.07 2pvy s VAL 501 CO -0.04 -0.10 0.00 0.61 0.00 0.00 0.00 175.10 175.57 2pvy n GLY 502 N 3.78 0.52 0.43 4.51 0.00 0.01 -4.89 105.19 109.55 2pvy n GLY 502 Ca 0.06 -0.06 0.24 0.00 0.00 0.00 0.00 46.02 46.26 2pvy n GLY 502 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2pvy h ILE 503 N 0.00 0.63 -2.99 -0.61 6.09 -1.79 -3.06 117.51 115.78 2pvy h ILE 503 Ca 0.00 -0.03 -0.73 0.00 -1.37 0.00 0.00 64.86 62.74 2pvy h ILE 503 Cb 0.00 0.55 -0.22 0.00 0.47 0.00 0.00 36.82 37.63 2pvy h ILE 503 CO 0.00 0.01 -0.03 -0.62 -3.07 0.00 0.00 178.15 174.44 2pvy s ASP 504 N -5.82 6.19 0.00 2.19 -1.08 -1.26 -4.93 116.67 111.96 2pvy s ASP 504 Ca -0.06 -1.58 0.00 0.00 -0.52 0.00 0.00 52.55 50.40 2pvy s ASP 504 Cb 0.21 -2.26 0.00 0.00 -1.46 0.00 0.00 42.92 39.41 2pvy s ASP 504 CO 0.76 -1.00 0.69 0.29 0.52 0.00 0.00 175.17 176.43 2pvy n LYS 505 N 5.86 0.00 0.00 4.34 5.02 -1.16 -0.40 118.16 131.82 2pvy n LYS 505 Ca -0.11 0.23 0.12 0.00 -2.02 0.00 0.00 58.31 56.52 2pvy n LYS 505 Cb 0.41 -1.56 0.10 0.00 -0.02 0.00 0.00 35.03 33.96 2pvy n LYS 505 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2pvy n ASP 506 N -1.19 1.69 -2.74 4.39 8.00 -1.26 -4.20 116.55 121.24 2pvy n ASP 506 Ca 0.00 -1.30 -0.11 0.00 0.71 0.00 0.00 54.79 54.08 2pvy n ASP 506 Cb 0.06 0.41 0.02 0.00 -0.02 0.00 0.00 41.12 41.59 2pvy n ASP 506 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2pvy n LYS 507 N -0.28 1.24 -0.41 -1.24 5.02 0.47 -4.99 118.16 117.96 2pvy n LYS 507 Ca 0.10 -3.35 0.34 0.00 -2.02 0.00 0.00 58.31 53.38 2pvy n LYS 507 Cb 0.43 -1.37 0.56 0.00 -0.02 0.00 0.00 35.03 34.62 2pvy n LYS 507 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 2pvy n PRO 508 N -0.03 -0.02 0.00 1.97 -0.02 -1.22 0.12 135.00 135.81 2pvy n PRO 508 Ca 0.13 0.95 0.12 0.00 -2.02 0.00 0.00 63.50 62.68 2pvy n PRO 508 Cb 0.78 -1.93 0.21 0.00 -0.02 0.00 0.00 33.50 32.54 2pvy n PRO 508 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2pvy n LYS 509 N -4.07 1.08 -2.75 -0.52 4.01 -1.26 -3.47 118.16 111.18 2pvy n LYS 509 Ca 0.32 -0.78 -0.42 0.00 -0.51 0.00 0.00 58.31 56.92 2pvy n LYS 509 Cb 1.31 -1.48 -0.03 0.00 -0.51 0.00 0.00 35.03 34.31 2pvy n LYS 509 CO 0.00 0.00 0.00 -2.00 -1.11 0.00 0.00 177.40 174.29 2pvy s GLU 510 N -2.45 4.41 -0.30 1.97 2.12 0.33 -4.81 118.70 119.97 2pvy s GLU 510 Ca 0.23 1.29 -0.19 0.00 0.36 0.00 0.00 54.97 56.65 2pvy s GLU 510 Cb 0.19 -3.53 -0.01 0.00 0.26 0.00 0.00 34.13 31.03 2pvy s GLU 510 CO 0.53 -0.27 0.57 0.00 -0.54 0.00 0.00 175.26 175.55 2pvy s ALA 511 N 1.86 3.53 -0.07 6.30 0.00 -1.26 -0.81 121.76 131.31 2pvy s ALA 511 Ca 0.46 -0.72 0.03 0.00 0.00 0.00 0.00 51.96 51.74 2pvy s ALA 511 Cb -0.18 -3.02 -0.02 0.00 0.00 0.00 0.00 23.12 19.90 2pvy s ALA 511 CO 0.18 -1.02 -0.18 0.54 0.00 0.00 0.00 175.76 175.29 2pvy s VAL 512 N 2.48 2.72 -0.01 0.00 0.11 -0.20 -4.87 120.40 120.64 2pvy s VAL 512 Ca 0.23 -0.82 -0.30 0.00 -2.93 0.00 0.00 61.98 58.15 2pvy s VAL 512 Cb -0.15 -2.07 -0.06 0.00 -1.53 0.00 0.00 36.38 32.57 2pvy s VAL 512 CO 0.11 0.57 1.48 -0.89 -3.33 0.00 0.00 175.10 173.04 2pvy s THR 513 N -0.25 3.60 0.32 5.04 2.01 -1.26 -1.05 115.64 124.05 2pvy s THR 513 Ca 0.00 0.94 0.04 0.00 0.31 0.00 0.00 61.69 62.99 2pvy s THR 513 Cb -0.13 -3.61 -0.03 0.00 0.01 0.00 0.00 72.50 68.74 2pvy s THR 513 CO 0.03 -0.02 0.17 0.68 -0.69 0.00 0.00 174.62 174.79 2pvy s VAL 514 N 2.79 0.32 0.00 3.82 -7.23 0.91 -4.36 120.40 116.65 2pvy s VAL 514 Ca 0.67 -2.00 0.06 0.00 -1.81 0.00 0.00 61.98 58.89 2pvy s VAL 514 Cb -0.33 -2.49 -0.03 0.00 0.56 0.00 0.00 36.38 34.10 2pvy s VAL 514 CO 0.27 0.00 -0.16 0.00 -0.31 0.00 0.00 175.10 174.90 2pvy s ALA 515 N -3.53 2.65 -0.12 1.32 0.00 -0.16 -0.53 121.76 121.38 2pvy s ALA 515 Ca 0.35 -1.10 0.02 0.00 0.00 0.00 0.00 51.96 51.22 2pvy s ALA 515 Cb 0.04 -0.85 0.01 0.00 0.00 0.00 0.00 23.12 22.33 2pvy s ALA 515 CO 0.18 0.57 -0.17 0.08 0.00 0.00 0.00 175.76 176.43 2pvy s VAL 516 N -0.86 1.64 -0.18 0.00 1.01 0.19 -1.08 120.40 121.12 2pvy s VAL 516 Ca 0.14 -0.72 -0.10 0.00 0.00 0.00 0.00 61.98 61.29 2pvy s VAL 516 Cb -0.11 -1.49 -0.05 0.00 0.00 0.00 0.00 36.38 34.74 2pvy s VAL 516 CO 0.04 0.47 0.17 -0.75 0.00 0.00 0.00 175.10 175.03 2pvy s LYS 517 N 1.00 4.09 0.25 2.72 2.20 -0.41 -0.22 119.74 129.37 2pvy s LYS 517 Ca -0.05 -0.13 -0.08 0.00 -0.36 0.00 0.00 55.97 55.35 2pvy s LYS 517 Cb -0.15 -3.38 -0.01 0.00 -1.51 0.00 0.00 37.83 32.78 2pvy s LYS 517 CO -0.03 0.37 0.38 0.00 -0.36 0.00 0.00 175.35 175.71 2pvy s MET 518 N 0.14 1.51 0.58 4.03 0.23 -0.03 -1.35 119.30 124.40 2pvy s MET 518 Ca 0.11 -1.43 -0.09 0.00 -1.03 0.00 0.00 55.69 53.25 2pvy s MET 518 Cb -0.12 0.41 -0.04 0.00 -1.53 0.00 0.00 34.83 33.56 2pvy s MET 518 CO 0.00 -0.60 0.95 -0.51 -2.03 0.00 0.00 175.02 172.84 2pvy s LEU 519 N -3.09 3.35 0.34 0.18 1.43 -1.26 -2.86 118.68 116.77 2pvy s LEU 519 Ca 0.28 1.24 0.07 0.00 -1.03 0.00 0.00 54.13 54.69 2pvy s LEU 519 Cb 0.01 -4.24 -0.01 0.00 0.03 0.00 0.00 46.19 41.98 2pvy s LEU 519 CO 0.12 -0.80 0.45 -0.54 0.23 0.00 0.00 176.35 175.81 2pvy s LYS 520 N -5.04 3.03 0.31 1.70 1.02 -1.26 -4.86 119.74 114.64 2pvy s LYS 520 Ca 0.53 -1.08 0.07 0.00 0.02 0.00 0.00 55.97 55.51 2pvy s LYS 520 Cb -0.11 -2.76 0.78 0.00 -0.52 0.00 0.00 37.83 35.23 2pvy s LYS 520 CO 0.51 0.04 1.77 -0.44 -0.92 0.00 0.00 175.35 176.31 2pvy h ASP 521 N 0.93 0.75 -0.65 2.83 3.45 -2.05 -0.05 116.42 121.63 2pvy h ASP 521 Ca -0.45 0.10 -0.25 0.00 0.43 0.00 0.00 57.03 56.86 2pvy h ASP 521 Cb 1.26 -0.03 -0.15 0.00 -0.56 0.00 0.00 39.33 39.85 2pvy h ASP 521 CO 0.53 0.23 0.32 -0.90 -1.57 0.00 0.00 179.24 177.86 2pvy n ASP 522 N -4.79 4.00 -4.64 6.45 3.85 -1.26 -5.00 116.55 115.17 2pvy n ASP 522 Ca 0.24 -3.06 -0.36 0.00 -0.71 0.00 0.00 54.79 50.91 2pvy n ASP 522 Cb 0.62 -0.72 0.09 0.00 -1.35 0.00 0.00 41.12 39.76 2pvy n ASP 522 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2pvy n ALA 523 N -0.31 -0.02 -2.26 2.12 0.00 -0.03 -5.04 120.51 114.97 2pvy n ALA 523 Ca 0.37 -0.18 -0.23 0.00 0.00 0.00 0.00 53.44 53.41 2pvy n ALA 523 Cb 1.26 -2.16 -0.01 0.00 0.00 0.00 0.00 19.45 18.54 2pvy n ALA 523 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2pvy s THR 524 N -1.79 2.21 0.17 0.00 -4.23 -1.26 -5.00 115.64 105.74 2pvy s THR 524 Ca 0.75 -1.35 -0.12 0.00 -1.18 0.00 0.00 61.69 59.79 2pvy s THR 524 Cb -0.34 -2.56 0.08 0.00 1.34 0.00 0.00 72.50 71.01 2pvy s THR 524 CO 0.49 0.00 1.73 -0.33 -0.54 0.00 0.00 174.62 175.97 2pvy h GLU 525 N 0.81 0.89 -0.69 3.99 5.08 -2.01 -2.65 114.58 120.00 2pvy h GLU 525 Ca -0.38 -0.16 0.01 0.00 -1.00 0.00 0.00 59.36 57.83 2pvy h GLU 525 Cb 1.28 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 30.35 2pvy h GLU 525 CO 0.55 0.75 0.45 -0.22 -1.00 0.00 0.00 179.01 179.55 2pvy h LYS 526 N 0.83 0.89 -0.90 2.33 1.63 -1.99 -1.67 116.57 117.68 2pvy h LYS 526 Ca 0.20 -0.05 -0.01 0.00 -0.85 0.00 0.00 60.65 59.94 2pvy h LYS 526 Cb 0.19 -0.20 -0.04 0.00 -0.60 0.00 0.00 32.23 31.58 2pvy h LYS 526 CO -0.02 0.59 0.52 -0.44 -3.45 0.00 0.00 179.45 176.65 2pvy h ASP 527 N 0.92 1.11 -0.10 4.20 3.32 -1.86 0.86 116.42 124.86 2pvy h ASP 527 Ca 0.25 -0.08 -0.02 0.00 0.02 0.00 0.00 57.03 57.20 2pvy h ASP 527 Cb -0.09 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.18 2pvy h ASP 527 CO -0.06 0.87 -0.00 0.25 -1.72 0.00 0.00 179.24 178.58 2pvy h LEU 528 N 1.26 0.18 -0.86 1.55 5.85 -1.17 -0.95 115.31 121.15 2pvy h LEU 528 Ca 0.32 -0.32 -0.05 0.00 0.84 0.00 0.00 57.88 58.67 2pvy h LEU 528 Cb -0.01 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 40.94 2pvy h LEU 528 CO -0.06 0.46 0.22 0.77 -0.34 0.00 0.00 178.44 179.49 2pvy h SER 529 N -0.10 0.99 -0.80 1.25 4.64 -1.21 -0.89 113.55 117.42 2pvy h SER 529 Ca 0.03 -0.18 -0.02 0.00 -0.47 0.00 0.00 61.79 61.15 2pvy h SER 529 Cb 0.37 -0.26 -0.04 0.00 -0.31 0.00 0.00 62.40 62.16 2pvy h SER 529 CO 0.01 0.92 0.40 0.44 -0.87 0.00 0.00 176.83 177.72 2pvy h ASP 530 N 1.02 1.03 -0.61 4.97 3.32 -0.74 -0.68 116.42 124.73 2pvy h ASP 530 Ca 0.22 -0.12 -0.10 0.00 0.02 0.00 0.00 57.03 57.05 2pvy h ASP 530 Cb 0.28 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.55 2pvy h ASP 530 CO -0.01 0.86 -0.00 0.25 -1.72 0.00 0.00 179.24 178.62 2pvy h LEU 531 N 1.12 1.06 0.12 1.55 5.85 -0.65 -0.25 115.31 124.12 2pvy h LEU 531 Ca 0.28 -0.30 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 2pvy h LEU 531 Cb 0.09 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 40.84 2pvy h LEU 531 CO -0.04 1.11 -0.06 0.58 -0.34 0.00 0.00 178.44 179.69 2pvy h VAL 532 N 0.99 0.92 -0.39 1.05 2.07 -0.74 -1.48 116.25 118.66 2pvy h VAL 532 Ca 0.17 -0.17 -0.06 0.00 0.82 0.00 0.00 66.70 67.46 2pvy h VAL 532 Cb 0.56 1.03 -0.02 0.00 -1.52 0.00 0.00 31.29 31.35 2pvy h VAL 532 CO 0.03 0.04 -0.01 0.77 0.02 0.00 0.00 177.57 178.42 2pvy h SER 533 N -0.25 0.60 -0.32 0.57 4.64 -1.03 -0.23 113.55 117.54 2pvy h SER 533 Ca -0.02 -0.13 0.01 0.00 -0.47 0.00 0.00 61.79 61.18 2pvy h SER 533 Cb 0.20 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 62.11 2pvy h SER 533 CO 0.03 0.68 0.20 -0.08 -0.87 0.00 0.00 176.83 176.78 2pvy h GLU 534 N 0.60 0.39 -0.08 4.77 4.81 -0.81 0.26 114.58 124.52 2pvy h GLU 534 Ca 0.12 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 2pvy h GLU 534 Cb 0.40 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.69 2pvy h GLU 534 CO 0.02 0.26 0.05 1.98 -0.73 0.00 0.00 179.01 180.58 2pvy h MET 535 N 0.40 0.11 -0.67 1.92 4.05 -0.71 -2.49 114.93 117.54 2pvy h MET 535 Ca 0.12 -0.01 -0.01 0.00 -0.28 0.00 0.00 59.70 59.52 2pvy h MET 535 Cb -0.02 -0.02 -0.03 0.00 -0.80 0.00 0.00 31.60 30.72 2pvy h MET 535 CO -0.04 0.09 0.38 0.93 0.23 0.00 0.00 176.91 178.50 2pvy h GLU 536 N 0.09 0.92 -0.79 0.39 4.39 -0.59 -2.16 114.58 116.83 2pvy h GLU 536 Ca 0.03 -0.09 -0.05 0.00 0.34 0.00 0.00 59.36 59.60 2pvy h GLU 536 Cb 0.01 -0.19 -0.03 0.00 -0.10 0.00 0.00 28.75 28.43 2pvy h GLU 536 CO -0.01 0.66 0.31 0.52 -1.16 0.00 0.00 179.01 179.34 2pvy h MET 537 N 0.93 1.17 -0.08 2.33 2.86 -0.27 -2.13 114.93 119.74 2pvy h MET 537 Ca 0.24 -0.21 -0.11 0.00 -2.06 0.00 0.00 59.70 57.56 2pvy h MET 537 Cb -0.00 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 31.45 2pvy h MET 537 CO -0.04 0.95 -0.44 0.52 1.06 0.00 0.00 176.91 178.95 2pvy h MET 538 N 1.14 0.17 -0.39 1.72 2.86 -0.97 -0.61 114.93 118.86 2pvy h MET 538 Ca 0.26 -0.09 -0.07 0.00 -2.06 0.00 0.00 59.70 57.75 2pvy h MET 538 Cb 0.21 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.86 2pvy h MET 538 CO -0.02 0.59 -0.02 0.87 1.06 0.00 0.00 176.91 179.39 2pvy h LYS 539 N 0.14 0.70 0.00 1.72 1.57 -1.07 -3.21 116.57 116.43 2pvy h LYS 539 Ca 0.01 -0.23 -0.08 0.00 -1.87 0.00 0.00 60.65 58.48 2pvy h LYS 539 Cb 0.84 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.09 2pvy h LYS 539 CO 0.07 0.81 -0.38 1.98 -0.57 0.00 0.00 179.45 181.36 2pvy h MET 540 N 0.52 0.00 -0.05 3.15 4.05 -1.10 -3.32 114.93 118.18 2pvy h MET 540 Ca 0.11 0.00 -0.20 0.00 -0.28 0.00 0.00 59.70 59.33 2pvy h MET 540 Cb 0.50 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.30 2pvy h MET 540 CO 0.02 0.38 -0.80 0.82 0.23 0.00 0.00 176.91 177.56 2pvy h ILE 541 N 0.00 1.39 0.00 1.77 2.04 -1.12 -3.50 117.51 118.09 2pvy h ILE 541 Ca -0.00 -2.26 0.00 0.00 1.00 0.00 0.00 64.86 63.60 2pvy h ILE 541 Cb 0.96 2.22 0.00 0.00 -0.74 0.00 0.00 36.82 39.26 2pvy h ILE 541 CO 0.05 0.68 0.00 0.61 0.00 0.00 0.00 178.15 179.49 2pvy n GLY 542 N 0.70 -1.99 3.58 5.37 0.00 -1.24 -4.94 105.19 106.66 2pvy n GLY 542 Ca -0.05 -1.41 -0.34 0.00 0.00 0.00 0.00 46.02 44.21 2pvy n GLY 542 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2pvy n LYS 543 N -1.10 0.20 -3.65 1.61 5.02 -1.26 -5.05 118.16 113.92 2pvy n LYS 543 Ca 0.00 0.13 -0.01 0.00 -2.02 0.00 0.00 58.31 56.41 2pvy n LYS 543 Cb 0.00 -2.15 -0.07 0.00 -0.02 0.00 0.00 35.03 32.79 2pvy n LYS 543 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 2pvy s HIS 544 N -2.05 -0.05 0.52 2.13 2.46 -1.26 -5.05 115.29 111.99 2pvy s HIS 544 Ca 0.69 0.11 0.28 0.00 0.47 0.00 0.00 55.06 56.60 2pvy s HIS 544 Cb -0.30 0.32 1.41 0.00 -0.13 0.00 0.00 32.58 33.88 2pvy s HIS 544 CO 0.55 -0.02 1.93 -0.22 -2.47 0.00 0.00 174.74 174.51 2pvy h LYS 545 N 3.83 0.04 -0.71 2.88 3.11 -1.96 -2.31 116.57 121.45 2pvy h LYS 545 Ca -0.27 -0.00 -0.44 0.00 -2.81 0.00 0.00 60.65 57.13 2pvy h LYS 545 Cb 1.18 -0.01 -0.25 0.00 -1.00 0.00 0.00 32.23 32.15 2pvy h LYS 545 CO 0.20 0.03 0.17 0.09 -2.81 0.00 0.00 179.45 177.13 2pvy n ASN 546 N -4.33 4.44 -3.80 4.20 4.13 -1.26 -4.78 115.26 113.86 2pvy n ASN 546 Ca 0.15 -3.75 -0.14 0.00 1.68 0.00 0.00 54.58 52.52 2pvy n ASN 546 Cb 0.79 -0.71 -0.15 0.00 -1.54 0.00 0.00 39.78 38.17 2pvy n ASN 546 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2pvy s ILE 547 N -3.89 -0.04 0.21 2.41 1.01 -0.87 -1.02 121.20 119.01 2pvy s ILE 547 Ca 0.53 0.13 -0.32 0.00 0.00 0.00 0.00 60.65 60.99 2pvy s ILE 547 Cb 0.45 -0.12 -0.13 0.00 0.01 0.00 0.00 42.46 42.67 2pvy s ILE 547 CO 0.02 0.05 1.51 -0.38 0.00 0.00 0.00 174.94 176.14 2pvy n ILE 548 N 3.78 0.51 -3.02 2.92 2.08 0.82 -4.68 119.36 121.76 2pvy n ILE 548 Ca -0.22 -0.13 -0.40 0.00 0.56 0.00 0.00 62.75 62.57 2pvy n ILE 548 Cb 0.54 -1.56 -0.05 0.00 -0.75 0.00 0.00 39.64 37.82 2pvy n ILE 548 CO 0.00 0.00 0.00 0.21 0.56 0.00 0.00 176.55 177.32 2pvy s ASN 549 N 0.61 7.12 -0.12 4.38 3.04 -1.26 -4.94 114.94 123.77 2pvy s ASN 549 Ca 0.73 1.34 -0.22 0.00 0.04 0.00 0.00 52.86 54.75 2pvy s ASN 549 Cb -0.65 -2.44 -0.03 0.00 -1.54 0.00 0.00 41.25 36.59 2pvy s ASN 549 CO 0.44 -0.02 0.66 -0.22 -3.04 0.00 0.00 177.10 174.92 2pvy s LEU 550 N 0.21 4.25 -0.14 3.21 2.96 -1.26 -0.27 118.68 127.65 2pvy s LEU 550 Ca 0.38 1.04 0.14 0.00 -0.22 0.00 0.00 54.13 55.46 2pvy s LEU 550 Cb -0.19 -2.99 -0.20 0.00 0.50 0.00 0.00 46.19 43.31 2pvy s LEU 550 CO 0.21 -0.16 0.09 0.18 -1.32 0.00 0.00 176.35 175.34 2pvy n LEU 551 N 4.22 0.00 0.00 -0.68 4.77 0.53 -4.93 117.00 120.91 2pvy n LEU 551 Ca -0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 2pvy n LEU 551 Cb 0.51 0.34 0.00 0.00 -2.33 0.00 0.00 43.42 41.94 2pvy n LEU 551 CO 0.46 0.34 0.00 0.61 -1.33 0.00 0.00 177.39 177.47 2pvy n GLY 552 N 2.00 -1.45 3.52 -0.72 0.00 -1.00 -5.01 105.19 102.52 2pvy n GLY 552 Ca -0.23 -1.01 -0.18 0.00 0.00 0.00 0.00 46.02 44.60 2pvy n GLY 552 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pvy s ALA 553 N -1.37 -1.76 -0.47 4.61 0.00 -0.73 -0.34 121.76 121.69 2pvy s ALA 553 Ca 0.00 1.30 -0.02 0.00 0.00 0.00 0.00 51.96 53.24 2pvy s ALA 553 Cb 0.00 0.01 0.13 0.00 0.00 0.00 0.00 23.12 23.26 2pvy s ALA 553 CO 0.00 -0.37 0.26 0.00 0.00 0.00 0.00 175.76 175.65 2pvy n THR 555 N 4.14 0.53 -3.40 0.00 -2.24 -1.26 -1.80 114.28 110.25 2pvy n THR 555 Ca 0.02 -0.48 -0.38 0.00 -2.27 0.00 0.00 64.05 60.94 2pvy n THR 555 Cb 0.40 -0.28 -0.06 0.00 -2.10 0.00 0.00 70.33 68.29 2pvy n THR 555 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2pvy s GLN 556 N -2.65 4.06 -0.88 -0.78 -1.52 -1.26 -4.65 119.66 111.98 2pvy s GLN 556 Ca -0.06 0.55 -0.06 0.00 -1.95 0.00 0.00 55.36 53.83 2pvy s GLN 556 Cb 0.07 -3.24 0.00 0.00 -0.22 0.00 0.00 33.01 29.62 2pvy s GLN 556 CO 0.59 0.63 0.66 -0.25 -0.25 0.00 0.00 175.29 176.67 2pvy n ASP 557 N 1.91 -5.49 0.00 5.90 8.00 -1.26 -4.90 116.55 120.72 2pvy n ASP 557 Ca -0.12 -0.81 0.00 0.00 0.71 0.00 0.00 54.79 54.57 2pvy n ASP 557 Cb 0.52 -2.68 0.00 0.00 -0.02 0.00 0.00 41.12 38.94 2pvy n ASP 557 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2pvy n GLY 558 N -1.72 0.07 3.75 0.44 0.00 -1.26 -5.11 105.19 101.35 2pvy n GLY 558 Ca -0.20 -1.76 -0.37 0.00 0.00 0.00 0.00 46.02 43.68 2pvy n GLY 558 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2pvy s PRO 559 N -1.50 2.97 -0.12 1.61 0.04 -1.26 -4.91 135.00 131.84 2pvy s PRO 559 Ca 0.00 2.03 -0.30 0.00 0.04 0.00 0.00 61.00 62.78 2pvy s PRO 559 Cb 0.00 -2.05 -0.02 0.00 0.04 0.00 0.00 34.50 32.47 2pvy s PRO 559 CO 0.00 -1.27 1.21 -1.17 0.04 0.00 0.00 177.00 175.81 2pvy s LEU 560 N -3.89 4.22 -0.20 -3.56 2.96 -1.26 -4.68 118.68 112.28 2pvy s LEU 560 Ca 0.76 1.72 0.01 0.00 -0.22 0.00 0.00 54.13 56.40 2pvy s LEU 560 Cb -0.36 -3.55 0.03 0.00 0.50 0.00 0.00 46.19 42.82 2pvy s LEU 560 CO 0.40 -0.66 -0.16 -0.31 -1.32 0.00 0.00 176.35 174.30 2pvy s TYR 561 N 2.83 2.84 -0.41 5.38 2.02 -0.74 -4.40 117.35 124.86 2pvy s TYR 561 Ca 0.54 -1.80 -0.15 0.00 -0.37 0.00 0.00 57.07 55.30 2pvy s TYR 561 Cb -0.22 -1.88 0.02 0.00 -0.40 0.00 0.00 41.96 39.48 2pvy s TYR 561 CO 0.17 -0.81 0.30 0.08 -1.57 0.00 0.00 175.55 173.72 2pvy s VAL 562 N 1.26 5.23 -0.18 0.71 1.01 -0.46 -1.47 120.40 126.51 2pvy s VAL 562 Ca 0.01 -0.68 -0.18 0.00 0.00 0.00 0.00 61.98 61.12 2pvy s VAL 562 Cb -0.15 -3.92 -0.04 0.00 0.00 0.00 0.00 36.38 32.27 2pvy s VAL 562 CO -0.10 -0.32 0.51 -0.63 0.00 0.00 0.00 175.10 174.55 2pvy s ILE 563 N 1.67 5.13 0.15 2.22 1.01 0.54 -1.29 121.20 130.63 2pvy s ILE 563 Ca 0.05 0.95 0.00 0.00 0.00 0.00 0.00 60.65 61.65 2pvy s ILE 563 Cb -0.19 -3.83 -0.04 0.00 0.01 0.00 0.00 42.46 38.40 2pvy s ILE 563 CO 0.10 0.22 0.02 0.68 0.00 0.00 0.00 174.94 175.96 2pvy s VAL 564 N 1.33 0.42 0.23 2.92 -7.23 -0.24 -0.35 120.40 117.48 2pvy s VAL 564 Ca 0.25 -1.94 -0.31 0.00 -1.81 0.00 0.00 61.98 58.16 2pvy s VAL 564 Cb -0.15 -2.05 -0.14 0.00 0.56 0.00 0.00 36.38 34.60 2pvy s VAL 564 CO 0.10 -0.51 1.25 1.21 -0.31 0.00 0.00 175.10 176.84 2pvy n GLU 565 N -0.16 1.61 -3.19 4.82 2.13 0.63 -0.99 120.64 125.49 2pvy n GLU 565 Ca -0.07 0.57 -0.39 0.00 0.66 0.00 0.00 57.16 57.93 2pvy n GLU 565 Cb 0.63 -2.12 -0.06 0.00 0.27 0.00 0.00 31.44 30.16 2pvy n GLU 565 CO 0.00 0.00 0.00 -0.47 -0.41 0.00 0.00 177.13 176.25 2pvy s TYR 566 N -0.32 3.40 -0.46 4.31 5.04 -1.26 -4.52 117.35 123.54 2pvy s TYR 566 Ca 0.68 0.88 -0.11 0.00 -2.44 0.00 0.00 57.07 56.08 2pvy s TYR 566 Cb -0.73 -2.72 0.10 0.00 0.35 0.00 0.00 41.96 38.97 2pvy s TYR 566 CO 0.53 -0.09 0.34 0.00 -1.34 0.00 0.00 175.55 174.99 2pvy s ALA 567 N 1.57 3.40 -0.29 3.97 0.00 -1.26 -4.91 121.76 124.24 2pvy s ALA 567 Ca 0.27 -2.36 0.21 0.00 0.00 0.00 0.00 51.96 50.08 2pvy s ALA 567 Cb -0.16 -2.84 1.07 0.00 0.00 0.00 0.00 23.12 21.20 2pvy s ALA 567 CO 0.10 -1.81 1.63 -1.13 0.00 0.00 0.00 175.76 174.56 2pvy n SER 568 N 4.98 0.54 -1.02 0.00 3.41 -1.26 -2.71 113.62 117.56 2pvy n SER 568 Ca -0.10 0.73 0.12 0.00 -0.26 0.00 0.00 58.87 59.36 2pvy n SER 568 Cb 0.42 -0.81 0.19 0.00 -0.26 0.00 0.00 64.21 63.75 2pvy n SER 568 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2pvy n LYS 569 N -2.21 2.37 0.00 4.33 4.76 -0.43 -4.90 118.16 122.08 2pvy n LYS 569 Ca -0.01 -2.03 0.00 0.00 -2.87 0.00 0.00 58.31 53.40 2pvy n LYS 569 Cb 0.06 -1.49 0.00 0.00 -1.84 0.00 0.00 35.03 31.77 2pvy n LYS 569 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2pvy n GLY 570 N 1.41 -1.92 3.83 0.72 0.00 -1.10 -4.65 105.19 103.49 2pvy n GLY 570 Ca 0.17 -1.40 -0.33 0.00 0.00 0.00 0.00 46.02 44.47 2pvy n GLY 570 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pvy s ASN 571 N -4.00 6.81 0.27 1.61 2.20 -1.26 -1.38 114.94 119.19 2pvy s ASN 571 Ca 0.00 1.56 -0.00 0.00 -0.94 0.00 0.00 52.86 53.48 2pvy s ASN 571 Cb 0.00 -2.49 0.54 0.00 -2.00 0.00 0.00 41.25 37.30 2pvy s ASN 571 CO 0.00 -0.39 1.79 0.25 -2.94 0.00 0.00 177.10 175.81 2pvy h LEU 572 N 1.69 0.67 0.02 3.54 5.85 0.59 -1.28 115.31 126.40 2pvy h LEU 572 Ca -0.48 0.08 0.03 0.00 0.84 0.00 0.00 57.88 58.34 2pvy h LEU 572 Cb 1.18 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 42.12 2pvy h LEU 572 CO 0.62 0.31 -0.25 -0.09 -0.34 0.00 0.00 178.44 178.70 2pvy h ARG 573 N 0.75 -0.38 -0.25 1.25 2.43 -1.79 0.78 114.38 117.17 2pvy h ARG 573 Ca 0.47 0.03 -0.10 0.00 -0.81 0.00 0.00 59.98 59.57 2pvy h ARG 573 Cb 0.60 0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.22 2pvy h ARG 573 CO -0.32 -0.26 -0.27 0.93 -1.51 0.00 0.00 179.97 178.54 2pvy h GLU 574 N -0.40 0.49 0.30 0.20 5.08 -1.83 -1.43 114.58 116.99 2pvy h GLU 574 Ca 0.06 -0.19 -0.01 0.00 -1.00 0.00 0.00 59.36 58.21 2pvy h GLU 574 Cb 0.47 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.70 2pvy h GLU 574 CO -0.21 0.72 -0.14 -0.92 -1.00 0.00 0.00 179.01 177.46 2pvy h TYR 575 N 0.43 -0.37 -0.82 4.33 3.20 -0.79 -0.93 116.97 122.01 2pvy h TYR 575 Ca 0.06 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.92 2pvy h TYR 575 Cb 0.70 0.12 -0.04 0.00 1.54 0.00 0.00 36.73 39.05 2pvy h TYR 575 CO 0.02 -0.20 0.52 -0.07 -1.64 0.00 0.00 178.16 176.80 2pvy h LEU 576 N -0.46 0.96 -0.77 2.82 3.38 -0.71 -2.80 115.31 117.72 2pvy h LEU 576 Ca -0.04 -0.04 -0.08 0.00 0.09 0.00 0.00 57.88 57.80 2pvy h LEU 576 Cb 0.35 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 2pvy h LEU 576 CO 0.07 0.72 0.02 0.03 0.09 0.00 0.00 178.44 179.36 2pvy h ARG 577 N 1.12 0.95 0.00 1.13 3.08 -1.13 -2.62 114.38 116.91 2pvy h ARG 577 Ca 0.30 -0.27 -0.03 0.00 0.07 0.00 0.00 59.98 60.05 2pvy h ARG 577 Cb -0.09 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 29.85 2pvy h ARG 577 CO -0.06 0.93 -0.14 0.00 -1.07 0.00 0.00 179.97 179.62 2pvy h ALA 578 N 1.13 1.24 -0.99 0.04 0.00 -0.91 -3.19 119.26 116.58 2pvy h ALA 578 Ca 0.17 -0.13 -0.57 0.00 0.00 0.00 0.00 54.91 54.38 2pvy h ALA 578 Cb 0.49 -0.02 -0.42 0.00 0.00 0.00 0.00 17.79 17.84 2pvy h ALA 578 CO 0.02 0.18 -0.70 2.89 0.00 0.00 0.00 179.25 181.64 2pvy n ARG 579 N -3.61 3.51 -2.14 0.00 0.00 -1.00 -1.01 116.66 112.42 2pvy n ARG 579 Ca -0.01 -4.23 -0.32 0.00 -0.00 0.00 0.00 57.85 53.29 2pvy n ARG 579 Cb 0.27 -2.27 -0.01 0.00 -0.00 0.00 0.00 32.46 30.45 2pvy n ARG 579 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 2pvy s ARG 580 N -3.60 3.78 0.57 2.89 0.52 -1.17 -2.01 118.95 119.93 2pvy s ARG 580 Ca 0.51 0.85 -0.14 0.00 -0.52 0.00 0.00 55.73 56.43 2pvy s ARG 580 Cb 0.41 -2.11 -0.06 0.00 0.52 0.00 0.00 34.95 33.72 2pvy s ARG 580 CO -0.04 -0.42 1.01 -2.14 0.02 0.00 0.00 175.30 173.74 2pvy s PRO 581 N -4.61 3.69 0.16 3.54 0.02 -1.26 -4.90 135.00 131.64 2pvy s PRO 581 Ca 0.57 0.93 -0.32 0.00 0.02 0.00 0.00 61.00 62.20 2pvy s PRO 581 Cb -0.10 -2.10 -0.10 0.00 0.02 0.00 0.00 34.50 32.22 2pvy s PRO 581 CO 0.42 -0.49 1.63 -2.14 -0.33 0.00 0.00 177.00 176.09 2pvy s PRO 582 N -4.46 4.19 -0.37 5.54 0.02 -1.26 -5.17 135.00 133.48 2pvy s PRO 582 Ca 0.58 2.42 -0.01 0.00 0.02 0.00 0.00 61.00 64.02 2pvy s PRO 582 Cb -0.11 -3.22 -0.01 0.00 0.02 0.00 0.00 34.50 31.18 2pvy s PRO 582 CO 0.40 -0.67 0.32 0.41 -0.33 0.00 0.00 177.00 177.13 2pvy n GLY 583 N 3.86 0.20 2.72 0.52 0.00 -1.26 -5.31 105.19 105.92 2pvy n GLY 583 Ca 0.15 -0.15 -0.07 0.00 0.00 0.00 0.00 46.02 45.94 2pvy n GLY 583 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2pvy n ASP 589 N -1.87 -2.39 0.00 1.61 2.03 -1.26 -5.25 116.55 109.41 2pvy n ASP 589 Ca -0.06 -2.98 0.00 0.00 0.52 0.00 0.00 54.79 52.26 2pvy n ASP 589 Cb 0.55 1.59 0.00 0.00 -0.72 0.00 0.00 41.12 42.54 2pvy n ASP 589 CO 0.00 0.00 0.00 2.30 -1.92 0.00 0.00 177.20 177.58 2pvy n ILE 590 N 1.34 0.00 -3.09 5.18 -0.00 -1.26 -5.10 119.36 116.43 2pvy n ILE 590 Ca 0.06 0.00 -0.35 0.00 -0.00 0.00 0.00 62.75 62.46 2pvy n ILE 590 Cb 0.66 0.00 -0.06 0.00 -0.00 0.00 0.00 39.64 40.24 2pvy n ILE 590 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.55 177.09 2pvy s ASN 591 N 1.00 6.99 0.07 7.28 2.20 -1.26 -5.08 114.94 126.15 2pvy s ASN 591 Ca 0.00 1.41 0.09 0.00 -0.94 0.00 0.00 52.86 53.41 2pvy s ASN 591 Cb 0.00 -2.42 -0.03 0.00 -2.00 0.00 0.00 41.25 36.80 2pvy s ASN 591 CO 0.00 -0.04 -0.22 -0.13 -2.94 0.00 0.00 177.10 173.77 2pvy s ARG 592 N -2.27 1.82 -0.53 3.55 0.52 -1.26 -4.46 118.95 116.31 2pvy s ARG 592 Ca 0.47 -1.12 0.07 0.00 -0.52 0.00 0.00 55.73 54.62 2pvy s ARG 592 Cb -0.15 -2.07 0.24 0.00 0.52 0.00 0.00 34.95 33.49 2pvy s ARG 592 CO 0.20 0.50 0.63 0.28 0.02 0.00 0.00 175.30 176.93 2pvy n VAL 593 N 1.33 0.93 -0.08 3.52 0.31 -0.18 -4.96 118.33 119.18 2pvy n VAL 593 Ca -0.17 -4.64 0.19 0.00 -0.01 0.00 0.00 64.34 59.72 2pvy n VAL 593 Cb 0.52 -2.03 0.62 0.00 -0.91 0.00 0.00 33.84 32.05 2pvy n VAL 593 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 2pvy h PRO 594 N 4.21 0.15 0.00 5.55 0.13 -1.92 -0.13 132.00 140.00 2pvy h PRO 594 Ca 0.15 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 2pvy h PRO 594 Cb 0.77 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.86 2pvy h PRO 594 CO 0.66 0.10 0.00 -0.85 -0.23 0.00 0.00 178.00 177.68 2pvy n GLU 595 N -4.41 0.32 -1.41 0.86 0.00 -1.26 -2.20 120.64 112.54 2pvy n GLU 595 Ca 0.12 0.09 -0.00 0.00 0.00 0.00 0.00 57.16 57.37 2pvy n GLU 595 Cb 0.62 -1.50 0.10 0.00 0.00 0.00 0.00 31.44 30.66 2pvy n GLU 595 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 2pvy n GLU 596 N -1.18 1.42 -1.71 3.44 1.02 -0.06 -5.08 120.64 118.49 2pvy n GLU 596 Ca 0.09 -3.05 -0.43 0.00 -0.02 0.00 0.00 57.16 53.74 2pvy n GLU 596 Cb 0.09 -1.20 -0.03 0.00 -0.02 0.00 0.00 31.44 30.29 2pvy n GLU 596 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 2pvy n GLN 597 N -0.46 2.49 -2.12 3.49 7.27 -0.94 -4.80 117.38 122.31 2pvy n GLN 597 Ca 0.17 0.89 -0.42 0.00 0.07 0.00 0.00 57.00 57.71 2pvy n GLN 597 Cb 0.90 -2.67 -0.03 0.00 2.41 0.00 0.00 30.24 30.85 2pvy n GLN 597 CO 0.00 0.00 0.00 -1.64 0.07 0.00 0.00 177.06 175.49 2pvy s MET 598 N 0.29 4.30 0.23 3.69 -1.94 -0.85 -5.03 119.30 119.99 2pvy s MET 598 Ca 0.71 2.14 0.05 0.00 -1.71 0.00 0.00 55.69 56.88 2pvy s MET 598 Cb -0.56 -3.22 -0.03 0.00 2.01 0.00 0.00 34.83 33.02 2pvy s MET 598 CO 0.42 -0.47 0.31 0.95 -0.01 0.00 0.00 175.02 176.22 2pvy s THR 599 N 1.05 5.06 0.28 2.05 -4.23 -1.26 -4.89 115.64 113.70 2pvy s THR 599 Ca 0.65 -1.05 0.02 0.00 -1.18 0.00 0.00 61.69 60.13 2pvy s THR 599 Cb -0.38 -3.72 0.27 0.00 1.34 0.00 0.00 72.50 70.00 2pvy s THR 599 CO 0.31 -0.30 1.77 0.15 -0.54 0.00 0.00 174.62 176.01 2pvy h PHE 600 N 1.40 0.89 -0.46 3.99 3.57 -1.97 -0.27 116.94 124.10 2pvy h PHE 600 Ca -0.51 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 60.98 2pvy h PHE 600 Cb 1.23 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 39.69 2pvy h PHE 600 CO 0.49 0.22 0.07 -0.22 -2.23 0.00 0.00 178.31 176.63 2pvy h LYS 601 N 0.69 0.71 -0.58 1.11 3.64 -1.96 -2.42 116.57 117.77 2pvy h LYS 601 Ca 0.51 -0.15 -0.04 0.00 -1.27 0.00 0.00 60.65 59.70 2pvy h LYS 601 Cb 0.73 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.42 2pvy h LYS 601 CO -0.37 0.68 0.22 -0.44 -2.27 0.00 0.00 179.45 177.27 2pvy h ASP 602 N 0.68 0.81 -0.68 4.20 3.32 -1.44 -0.15 116.42 123.17 2pvy h ASP 602 Ca 0.15 -0.18 -0.03 0.00 0.02 0.00 0.00 57.03 56.99 2pvy h ASP 602 Cb 0.32 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.63 2pvy h ASP 602 CO 0.00 0.77 0.30 -0.07 -1.72 0.00 0.00 179.24 178.53 2pvy h LEU 603 N 0.81 0.93 -0.30 1.55 3.38 -1.18 0.39 115.31 120.89 2pvy h LEU 603 Ca 0.19 -0.12 -0.07 0.00 0.09 0.00 0.00 57.88 57.98 2pvy h LEU 603 Cb 0.22 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 2pvy h LEU 603 CO -0.01 0.81 -0.08 0.58 0.09 0.00 0.00 178.44 179.83 2pvy h VAL 604 N 1.00 1.28 -0.75 1.22 2.07 -1.04 -1.40 116.25 118.64 2pvy h VAL 604 Ca 0.24 -1.12 0.02 0.00 0.82 0.00 0.00 66.70 66.66 2pvy h VAL 604 Cb 0.16 1.40 -0.04 0.00 -1.52 0.00 0.00 31.29 31.28 2pvy h VAL 604 CO -0.02 0.36 0.48 -1.28 0.02 0.00 0.00 177.57 177.13 2pvy h SER 605 N 0.34 0.81 -0.31 0.57 0.87 -0.65 0.45 113.55 115.64 2pvy h SER 605 Ca 0.07 -0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.61 2pvy h SER 605 Cb 0.57 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.33 2pvy h SER 605 CO 0.03 0.57 0.12 0.00 -0.53 0.00 0.00 176.83 177.02 2pvy h THR 607 N 0.35 1.21 0.13 0.00 2.02 -0.81 -1.93 112.91 113.89 2pvy h THR 607 Ca 0.10 -0.43 -0.01 0.00 0.77 0.00 0.00 66.41 66.85 2pvy h THR 607 Cb 0.19 0.06 0.00 0.00 -1.74 0.00 0.00 68.15 66.65 2pvy h THR 607 CO -0.01 0.22 -0.06 0.22 0.37 0.00 0.00 175.52 176.26 2pvy h TYR 608 N 1.10 -0.16 -0.99 3.16 3.20 -0.55 -1.22 116.97 121.51 2pvy h TYR 608 Ca 0.29 -0.00 0.13 0.00 3.14 0.00 0.00 58.73 62.28 2pvy h TYR 608 Cb -0.09 0.05 -0.08 0.00 1.54 0.00 0.00 36.73 38.15 2pvy h TYR 608 CO 0.00 0.22 0.62 1.96 -1.64 0.00 0.00 178.16 179.33 2pvy h GLN 609 N -0.57 0.92 -0.02 1.82 4.20 -0.90 0.01 115.11 120.57 2pvy h GLN 609 Ca -0.02 -0.06 -0.14 0.00 0.06 0.00 0.00 58.65 58.50 2pvy h GLN 609 Cb 0.45 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 28.00 2pvy h GLN 609 CO 0.03 0.61 -0.63 -0.07 -0.67 0.00 0.00 178.83 178.10 2pvy h LEU 610 N 0.95 0.10 -0.33 1.46 3.38 -1.28 -1.73 115.31 117.85 2pvy h LEU 610 Ca 0.49 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.38 2pvy h LEU 610 Cb 0.53 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 2pvy h LEU 610 CO -0.26 0.70 0.12 0.00 0.09 0.00 0.00 178.44 179.09 2pvy h ALA 611 N 1.30 0.43 -0.69 1.53 0.00 0.23 -1.57 119.26 120.49 2pvy h ALA 611 Ca -0.01 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 2pvy h ALA 611 Cb 1.12 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.75 2pvy h ALA 611 CO 0.09 0.04 0.34 0.00 0.00 0.00 0.00 179.25 179.71 2pvy h ARG 612 N 0.38 0.97 -0.17 0.00 3.08 -1.09 0.17 114.38 117.71 2pvy h ARG 612 Ca 0.11 -0.13 -0.02 0.00 0.07 0.00 0.00 59.98 60.02 2pvy h ARG 612 Cb 0.20 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 2pvy h ARG 612 CO -0.01 0.75 0.05 0.78 -1.07 0.00 0.00 179.97 180.47 2pvy h GLY 613 N 1.04 0.29 1.79 0.04 0.00 -0.99 -2.00 103.07 103.24 2pvy h GLY 613 Ca 0.24 -0.18 -0.12 0.00 0.00 0.00 0.00 47.33 47.27 2pvy h GLY 613 CO -0.03 0.17 -0.49 -0.33 0.00 0.00 0.00 176.54 175.85 2pvy h MET 614 N 0.09 0.23 -0.57 4.80 2.86 -1.00 -1.64 114.93 119.70 2pvy h MET 614 Ca 0.05 -0.13 -0.03 0.00 -2.06 0.00 0.00 59.70 57.54 2pvy h MET 614 Cb 0.25 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.89 2pvy h MET 614 CO -0.00 0.67 0.24 1.49 1.06 0.00 0.00 176.91 180.37 2pvy h GLU 615 N 0.18 0.84 -0.80 1.72 4.81 -0.56 0.53 114.58 121.31 2pvy h GLU 615 Ca 0.01 -0.15 -0.03 0.00 -0.13 0.00 0.00 59.36 59.06 2pvy h GLU 615 Cb 0.93 -0.14 -0.04 0.00 0.63 0.00 0.00 28.75 30.14 2pvy h GLU 615 CO 0.08 0.72 0.37 -0.92 -0.73 0.00 0.00 179.01 178.53 2pvy h TYR 616 N 0.77 1.17 -0.46 0.92 5.03 -1.11 -1.35 116.97 121.95 2pvy h TYR 616 Ca 0.19 -0.06 -0.01 0.00 2.58 0.00 0.00 58.73 61.42 2pvy h TYR 616 Cb 0.18 -0.36 -0.02 0.00 1.55 0.00 0.00 36.73 38.08 2pvy h TYR 616 CO 0.01 0.86 0.24 1.25 -1.32 0.00 0.00 178.16 179.19 2pvy h LEU 617 N 1.15 0.58 -0.56 2.82 5.85 -0.69 -2.33 115.31 122.13 2pvy h LEU 617 Ca 0.27 -0.11 -0.03 0.00 0.84 0.00 0.00 57.88 58.86 2pvy h LEU 617 Cb 0.14 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 40.99 2pvy h LEU 617 CO -0.03 0.52 0.23 0.00 -0.34 0.00 0.00 178.44 178.82 2pvy h ALA 618 N 1.08 0.73 -0.13 1.25 0.00 -0.66 -1.85 119.26 119.67 2pvy h ALA 618 Ca 0.16 -0.16 0.04 0.00 0.00 0.00 0.00 54.91 54.95 2pvy h ALA 618 Cb 0.08 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 2pvy h ALA 618 CO -0.02 0.34 0.14 0.66 0.00 0.00 0.00 179.25 180.37 2pvy h SER 619 N 0.77 0.00 -0.39 0.00 4.64 -0.85 0.53 113.55 118.25 2pvy h SER 619 Ca 0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 2pvy h SER 619 Cb 0.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 2pvy h SER 619 CO -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.94 2pvy n GLN 620 N -3.87 1.95 -3.77 4.77 1.13 -0.72 -4.92 117.38 111.95 2pvy n GLN 620 Ca 0.00 -1.43 -0.25 0.00 -1.94 0.00 0.00 57.00 53.39 2pvy n GLN 620 Cb 0.26 -1.33 0.04 0.00 0.11 0.00 0.00 30.24 29.32 2pvy n GLN 620 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 2pvy n LYS 621 N 0.65 -5.46 -4.41 -1.09 5.02 0.19 -4.87 118.16 108.19 2pvy n LYS 621 Ca 0.13 0.64 -0.26 0.00 -2.02 0.00 0.00 58.31 56.80 2pvy n LYS 621 Cb 0.35 -5.38 -0.17 0.00 -0.02 0.00 0.00 35.03 29.81 2pvy n LYS 621 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2pvy s ILE 623 N 0.94 5.45 -0.13 0.00 -4.36 -0.10 -4.15 121.20 118.87 2pvy s ILE 623 Ca -0.09 0.25 -0.26 0.00 -0.26 0.00 0.00 60.65 60.28 2pvy s ILE 623 Cb -0.15 -3.44 -0.26 0.00 1.25 0.00 0.00 42.46 39.85 2pvy s ILE 623 CO 0.00 0.56 0.73 -0.74 0.24 0.00 0.00 174.94 175.73 2pvy h HIS 624 N 5.49 0.12 0.00 1.37 -0.00 -1.91 0.28 115.15 120.50 2pvy h HIS 624 Ca -0.50 -0.09 0.00 0.00 -0.00 0.00 0.00 60.37 59.78 2pvy h HIS 624 Cb 1.21 -0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.61 2pvy h HIS 624 CO 0.70 1.13 0.00 0.54 -0.00 0.00 0.00 177.93 180.30 2pvy n ARG 625 N -4.47 0.00 -2.67 5.26 1.74 -1.26 -2.97 116.66 112.29 2pvy n ARG 625 Ca -0.13 0.00 -0.08 0.00 -0.77 0.00 0.00 57.85 56.86 2pvy n ARG 625 Cb 0.58 -2.38 0.03 0.00 -1.02 0.00 0.00 32.46 29.68 2pvy n ARG 625 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2pvy n ASP 626 N 0.00 1.99 -4.73 0.55 4.64 -1.26 -4.84 116.55 112.90 2pvy n ASP 626 Ca 0.00 -2.60 -0.41 0.00 -1.38 0.00 0.00 54.79 50.40 2pvy n ASP 626 Cb 0.00 -0.49 -0.04 0.00 -1.04 0.00 0.00 41.12 39.55 2pvy n ASP 626 CO 0.00 0.00 0.00 -0.22 -0.82 0.00 0.00 177.20 176.16 2pvy s LEU 627 N -3.45 4.46 -0.21 -2.67 2.96 -1.26 -4.81 118.68 113.70 2pvy s LEU 627 Ca 0.30 2.02 -0.34 0.00 -0.22 0.00 0.00 54.13 55.90 2pvy s LEU 627 Cb 0.40 -3.60 0.15 0.00 0.50 0.00 0.00 46.19 43.64 2pvy s LEU 627 CO -0.01 -0.25 1.22 0.00 -1.32 0.00 0.00 176.35 175.99 2pvy s ALA 628 N 0.09 -2.07 0.42 5.97 0.00 -1.26 -4.87 121.76 120.04 2pvy s ALA 628 Ca 0.51 1.66 0.11 0.00 0.00 0.00 0.00 51.96 54.24 2pvy s ALA 628 Cb -0.28 -0.45 0.95 0.00 0.00 0.00 0.00 23.12 23.34 2pvy s ALA 628 CO 0.33 -0.50 2.00 0.00 0.00 0.00 0.00 175.76 177.59 2pvy h ALA 629 N 2.07 1.89 0.00 0.00 0.00 -1.94 0.88 119.26 122.16 2pvy h ALA 629 Ca -0.10 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 2pvy h ALA 629 Cb 1.17 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.84 2pvy h ALA 629 CO 0.23 0.01 -0.00 0.07 0.00 0.00 0.00 179.25 179.56 2pvy h ARG 630 N 0.49 0.00 -0.55 0.00 0.11 -1.94 -2.60 114.38 109.89 2pvy h ARG 630 Ca 0.24 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.30 2pvy h ARG 630 Cb 0.33 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.40 2pvy h ARG 630 CO -0.07 0.00 0.03 0.09 0.10 0.00 0.00 179.97 180.13 2pvy n ASN 631 N -3.10 5.37 -4.20 0.08 5.03 0.29 -4.76 115.26 113.98 2pvy n ASN 631 Ca 0.00 -2.99 -0.30 0.00 0.87 0.00 0.00 54.58 52.16 2pvy n ASN 631 Cb 0.28 -0.67 -0.17 0.00 -1.02 0.00 0.00 39.78 38.19 2pvy n ASN 631 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 2pvy s VAL 632 N -2.82 1.88 0.07 2.41 1.01 -1.01 -1.07 120.40 120.87 2pvy s VAL 632 Ca 0.53 -0.93 0.05 0.00 0.00 0.00 0.00 61.98 61.63 2pvy s VAL 632 Cb 0.41 -1.62 -0.04 0.00 0.00 0.00 0.00 36.38 35.13 2pvy s VAL 632 CO 0.15 0.52 -0.04 -0.76 0.00 0.00 0.00 175.10 174.96 2pvy s LEU 633 N 0.25 3.28 -0.14 3.92 1.43 -0.23 0.72 118.68 127.90 2pvy s LEU 633 Ca -0.14 -0.22 0.02 0.00 -1.03 0.00 0.00 54.13 52.76 2pvy s LEU 633 Cb -0.16 -2.00 0.01 0.00 0.03 0.00 0.00 46.19 44.08 2pvy s LEU 633 CO 0.07 0.21 -0.19 0.54 0.23 0.00 0.00 176.35 177.20 2pvy s VAL 634 N -1.20 1.90 1.04 -1.59 0.11 -0.48 -0.38 120.40 119.80 2pvy s VAL 634 Ca 0.22 -0.86 -0.17 0.00 -2.93 0.00 0.00 61.98 58.23 2pvy s VAL 634 Cb -0.11 -1.70 0.26 0.00 -1.53 0.00 0.00 36.38 33.29 2pvy s VAL 634 CO 0.14 0.52 0.95 0.35 -3.33 0.00 0.00 175.10 173.73 2pvy n THR 635 N 4.31 0.00 0.14 5.04 -2.24 -0.89 -1.31 114.28 119.33 2pvy n THR 635 Ca -0.20 -0.44 0.03 0.00 -2.27 0.00 0.00 64.05 61.17 2pvy n THR 635 Cb 0.51 -1.23 0.40 0.00 -2.10 0.00 0.00 70.33 67.91 2pvy n THR 635 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 2pvy h GLU 636 N 0.00 0.19 -0.76 -0.78 4.57 -1.91 -1.82 114.58 114.07 2pvy h GLU 636 Ca -0.35 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 57.78 2pvy h GLU 636 Cb 1.07 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.64 2pvy h GLU 636 CO 0.23 0.36 0.00 0.09 -1.18 0.00 0.00 179.01 178.51 2pvy n ASN 637 N -4.26 3.44 -2.22 1.04 5.03 -1.26 -4.89 115.26 112.12 2pvy n ASN 637 Ca -0.01 -2.46 -0.20 0.00 0.87 0.00 0.00 54.58 52.77 2pvy n ASN 637 Cb 0.28 -0.58 -0.03 0.00 -1.02 0.00 0.00 39.78 38.43 2pvy n ASN 637 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 2pvy n ASN 638 N 0.35 -5.62 -4.72 6.41 3.02 -0.69 -4.97 115.26 109.04 2pvy n ASN 638 Ca 0.15 0.11 -0.41 0.00 -0.03 0.00 0.00 54.58 54.40 2pvy n ASN 638 Cb 0.73 -4.75 -0.04 0.00 -0.61 0.00 0.00 39.78 35.11 2pvy n ASN 638 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2pvy s VAL 639 N -2.93 4.85 -0.06 2.41 1.01 -1.26 -4.80 120.40 119.62 2pvy s VAL 639 Ca 0.00 1.81 -0.30 0.00 0.00 0.00 0.00 61.98 63.49 2pvy s VAL 639 Cb 0.00 -4.21 -0.02 0.00 0.00 0.00 0.00 36.38 32.16 2pvy s VAL 639 CO 0.00 0.24 1.00 -0.04 0.00 0.00 0.00 175.10 176.31 2pvy s MET 640 N 0.63 4.47 -0.16 2.72 -1.94 -1.26 -2.10 119.30 121.66 2pvy s MET 640 Ca 0.45 1.41 -0.01 0.00 -1.71 0.00 0.00 55.69 55.83 2pvy s MET 640 Cb -0.20 -3.51 0.04 0.00 2.01 0.00 0.00 34.83 33.17 2pvy s MET 640 CO 0.25 -0.21 -0.04 0.15 -0.01 0.00 0.00 175.02 175.15 2pvy s LYS 641 N 1.61 1.30 0.37 2.03 1.02 0.49 -4.27 119.74 122.29 2pvy s LYS 641 Ca 0.50 -0.47 -0.28 0.00 0.02 0.00 0.00 55.97 55.74 2pvy s LYS 641 Cb -0.20 -1.95 -0.11 0.00 -0.52 0.00 0.00 37.83 35.06 2pvy s LYS 641 CO 0.22 -0.44 1.50 -0.89 -0.92 0.00 0.00 175.35 174.82 2pvy n ILE 642 N 4.91 1.88 -4.10 2.17 5.41 -0.19 -1.07 119.36 128.38 2pvy n ILE 642 Ca -0.11 -0.47 -0.14 0.00 1.00 0.00 0.00 62.75 63.03 2pvy n ILE 642 Cb 0.48 -1.98 -0.04 0.00 -0.71 0.00 0.00 39.64 37.38 2pvy n ILE 642 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2pvy n ALA 643 N 0.63 0.16 -2.99 -1.39 0.00 -0.24 -0.13 120.51 116.55 2pvy n ALA 643 Ca 0.02 -1.47 -0.11 0.00 0.00 0.00 0.00 53.44 51.89 2pvy n ALA 643 Cb 0.39 1.19 0.01 0.00 0.00 0.00 0.00 19.45 21.03 2pvy n ALA 643 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2pvy n ASP 644 N -1.82 -7.56 -1.67 0.00 -0.08 -1.26 -4.76 116.55 99.40 2pvy n ASP 644 Ca 0.03 0.30 -0.06 0.00 -1.51 0.00 0.00 54.79 53.55 2pvy n ASP 644 Cb 0.49 -4.85 0.21 0.00 2.34 0.00 0.00 41.12 39.31 2pvy n ASP 644 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 2pvy n PHE 645 N -0.64 1.80 -0.13 -0.67 3.01 -1.26 -4.50 117.46 115.07 2pvy n PHE 645 Ca 0.06 -0.97 0.13 0.00 1.01 0.00 0.00 57.45 57.68 2pvy n PHE 645 Cb 0.50 -0.56 0.49 0.00 -0.01 0.00 0.00 39.48 39.90 2pvy n PHE 645 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 2pvy h GLY 646 N 3.14 0.66 -1.19 1.37 0.00 -1.90 -2.28 103.07 102.87 2pvy h GLY 646 Ca 0.22 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.37 2pvy h GLY 646 CO 0.56 0.09 0.00 1.04 0.00 0.00 0.00 176.54 178.23 2pvy n LEU 647 N -4.47 2.29 -4.76 3.11 4.77 -1.26 -4.66 117.00 112.00 2pvy n LEU 647 Ca 0.12 -1.10 -0.39 0.00 -0.03 0.00 0.00 56.01 54.60 2pvy n LEU 647 Cb 0.43 -0.03 0.02 0.00 -2.33 0.00 0.00 43.42 41.52 2pvy n LEU 647 CO 0.33 0.44 1.04 0.00 -1.33 0.00 0.00 177.39 177.88 2pvy s ALA 648 N -1.16 3.14 0.08 -1.18 0.00 -0.86 -4.73 121.76 117.05 2pvy s ALA 648 Ca 0.18 1.42 0.03 0.00 0.00 0.00 0.00 51.96 53.59 2pvy s ALA 648 Cb 0.12 -3.58 -0.03 0.00 0.00 0.00 0.00 23.12 19.63 2pvy s ALA 648 CO 0.18 -1.22 -0.10 1.03 0.00 0.00 0.00 175.76 175.65 2pvy s ARG 649 N -2.55 0.79 -0.29 0.00 1.81 0.09 -4.95 118.95 113.84 2pvy s ARG 649 Ca 0.63 -1.08 -0.11 0.00 -1.72 0.00 0.00 55.73 53.45 2pvy s ARG 649 Cb -0.43 -0.49 -0.04 0.00 -0.45 0.00 0.00 34.95 33.55 2pvy s ARG 649 CO 0.54 0.08 0.18 0.34 -0.68 0.00 0.00 175.30 175.75 2pvy s ASP 650 N -2.27 5.86 -0.17 0.23 2.15 -1.26 -0.92 116.67 120.28 2pvy s ASP 650 Ca 0.02 -0.17 0.17 0.00 0.43 0.00 0.00 52.55 53.00 2pvy s ASP 650 Cb -0.04 -2.08 0.45 0.00 -0.30 0.00 0.00 42.92 40.94 2pvy s ASP 650 CO -0.00 -0.10 1.33 2.30 -0.17 0.00 0.00 175.17 178.53 2pvy n ILE 651 N 5.04 2.18 0.00 4.11 -5.35 -0.78 -4.91 119.36 119.66 2pvy n ILE 651 Ca -0.14 -2.12 0.00 0.00 -0.27 0.00 0.00 62.75 60.22 2pvy n ILE 651 Cb 0.51 -0.26 0.00 0.00 -1.74 0.00 0.00 39.64 38.15 2pvy n ILE 651 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 2pvy n ASN 652 N -0.89 0.00 -2.56 7.28 3.02 -1.19 -4.75 115.26 116.17 2pvy n ASN 652 Ca 0.21 0.21 -0.32 0.00 -0.03 0.00 0.00 54.58 54.64 2pvy n ASN 652 Cb 0.82 -0.07 0.02 0.00 -0.61 0.00 0.00 39.78 39.94 2pvy n ASN 652 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2pvy n ASN 653 N -1.44 7.11 -3.84 6.41 4.13 -1.26 -5.05 115.26 121.31 2pvy n ASN 653 Ca 0.00 -3.54 -0.18 0.00 1.68 0.00 0.00 54.58 52.54 2pvy n ASN 653 Cb 0.00 -1.10 0.04 0.00 -1.54 0.00 0.00 39.78 37.17 2pvy n ASN 653 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2pvy n TYR 656 N -0.05 -1.42 -4.00 3.10 0.18 -1.26 -5.21 117.16 108.50 2pvy n TYR 656 Ca 0.51 0.57 -0.31 0.00 1.88 0.00 0.00 57.90 60.55 2pvy n TYR 656 Cb 0.45 -1.39 -0.15 0.00 -0.38 0.00 0.00 39.34 37.87 2pvy n TYR 656 CO 0.00 0.00 0.00 -0.47 -2.08 0.00 0.00 176.86 174.31 2pvy s TYR 657 N -2.02 3.73 0.11 -3.48 5.04 -0.39 -4.89 117.35 115.44 2pvy s TYR 657 Ca 0.20 -2.98 -0.31 0.00 -2.44 0.00 0.00 57.07 51.54 2pvy s TYR 657 Cb 0.03 -2.95 -0.10 0.00 0.35 0.00 0.00 41.96 39.29 2pvy s TYR 657 CO 0.31 -0.94 1.83 0.21 -1.34 0.00 0.00 175.55 175.62 2pvy s LYS 658 N 0.85 4.14 -0.20 4.97 2.47 -1.26 -2.94 119.74 127.77 2pvy s LYS 658 Ca 0.11 2.58 -0.04 0.00 -1.56 0.00 0.00 55.97 57.05 2pvy s LYS 658 Cb -0.20 -3.66 0.08 0.00 -1.46 0.00 0.00 37.83 32.59 2pvy s LYS 658 CO -0.07 -0.85 0.13 0.20 0.16 0.00 0.00 175.35 174.92 2pvy s GLY 663 N 2.90 0.30 -0.37 5.54 0.00 -1.26 -5.00 107.32 109.43 2pvy s GLY 663 Ca 0.81 -0.35 0.06 0.00 0.00 0.00 0.00 44.72 45.25 2pvy s GLY 663 CO 0.37 1.90 1.69 0.54 0.00 0.00 0.00 173.10 177.59 2pvy n ARG 664 N 5.28 2.05 -4.36 2.90 1.74 -1.26 -4.98 116.66 118.04 2pvy n ARG 664 Ca -0.06 -3.12 -0.34 0.00 -0.77 0.00 0.00 57.85 53.55 2pvy n ARG 664 Cb 0.48 -2.00 -0.10 0.00 -1.02 0.00 0.00 32.46 29.81 2pvy n ARG 664 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2pvy s LEU 665 N -3.29 3.47 0.00 0.55 1.43 -1.26 -5.05 118.68 114.54 2pvy s LEU 665 Ca 0.51 0.04 -0.32 0.00 -1.03 0.00 0.00 54.13 53.33 2pvy s LEU 665 Cb 0.44 -1.81 -0.10 0.00 0.03 0.00 0.00 46.19 44.75 2pvy s LEU 665 CO 0.05 0.28 1.92 -2.65 0.23 0.00 0.00 176.35 176.18 2pvy n PRO 666 N 2.77 2.59 -0.20 1.29 -0.02 -1.26 -4.86 135.00 135.31 2pvy n PRO 666 Ca -0.18 0.95 0.01 0.00 -2.02 0.00 0.00 63.50 62.26 2pvy n PRO 666 Cb 0.53 -2.85 0.11 0.00 -0.02 0.00 0.00 33.50 31.27 2pvy n PRO 666 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2pvy h VAL 667 N 5.41 0.62 0.00 -1.45 2.07 -1.96 -2.34 116.25 118.59 2pvy h VAL 667 Ca -0.49 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 66.94 2pvy h VAL 667 Cb 1.25 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 31.37 2pvy h VAL 667 CO 0.94 0.05 0.00 0.29 0.02 0.00 0.00 177.57 178.87 2pvy n LYS 668 N -5.14 0.11 0.00 1.57 5.02 -1.26 -1.28 118.16 117.18 2pvy n LYS 668 Ca 0.09 0.21 0.02 0.00 -2.02 0.00 0.00 58.31 56.61 2pvy n LYS 668 Cb 0.33 -1.50 0.01 0.00 -0.02 0.00 0.00 35.03 33.86 2pvy n LYS 668 CO 0.00 0.00 0.00 0.91 -0.52 0.00 0.00 177.40 177.79 2pvy n TRP 669 N -1.27 0.00 -2.99 2.13 8.01 -0.89 -4.97 117.44 117.46 2pvy n TRP 669 Ca 0.03 0.00 -0.40 0.00 -1.31 0.00 0.00 57.50 55.83 2pvy n TRP 669 Cb 0.05 0.00 -0.05 0.00 -2.01 0.00 0.00 31.31 29.30 2pvy n TRP 669 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.69 178.09 2pvy s MET 670 N -0.44 4.50 0.42 -0.99 1.75 -0.40 -4.12 119.30 120.02 2pvy s MET 670 Ca 0.04 1.08 -0.23 0.00 -1.25 0.00 0.00 55.69 55.33 2pvy s MET 670 Cb 0.03 -3.35 -0.09 0.00 2.84 0.00 0.00 34.83 34.27 2pvy s MET 670 CO 0.06 0.33 1.05 0.00 -0.65 0.00 0.00 175.02 175.81 2pvy s ALA 671 N -0.24 3.03 0.22 4.11 0.00 -1.26 -4.96 121.76 122.66 2pvy s ALA 671 Ca 0.38 0.67 -0.10 0.00 0.00 0.00 0.00 51.96 52.91 2pvy s ALA 671 Cb -0.21 -3.27 0.33 0.00 0.00 0.00 0.00 23.12 19.97 2pvy s ALA 671 CO 0.23 -0.24 1.64 -1.35 0.00 0.00 0.00 175.76 176.05 2pvy h PRO 672 N 2.24 0.08 0.00 0.00 0.11 -1.94 -0.85 132.00 131.63 2pvy h PRO 672 Ca -0.49 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 2pvy h PRO 672 Cb 1.22 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 2pvy h PRO 672 CO 0.61 0.05 -0.03 0.93 -0.21 0.00 0.00 178.00 179.35 2pvy h GLU 673 N 0.08 0.00 -0.93 1.05 3.07 -1.88 -2.11 114.58 113.86 2pvy h GLU 673 Ca 0.35 0.00 0.07 0.00 -0.50 0.00 0.00 59.36 59.28 2pvy h GLU 673 Cb 0.57 0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 28.42 2pvy h GLU 673 CO -0.61 0.03 0.60 0.00 -1.40 0.00 0.00 179.01 177.64 2pvy h ALA 674 N 1.97 1.51 0.00 3.43 0.00 -1.16 -1.06 119.26 123.95 2pvy h ALA 674 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2pvy h ALA 674 Cb 0.27 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2pvy h ALA 674 CO 0.00 0.34 -0.23 1.28 0.00 0.00 0.00 179.25 180.64 2pvy n LEU 675 N -4.51 0.46 0.24 0.00 4.32 -1.04 -2.98 117.00 113.50 2pvy n LEU 675 Ca 0.15 0.08 0.11 0.00 -0.02 0.00 0.00 56.01 56.33 2pvy n LEU 675 Cb 0.22 -0.56 0.45 0.00 -1.62 0.00 0.00 43.42 41.92 2pvy n LEU 675 CO 0.32 -0.45 1.10 -0.26 -1.22 0.00 0.00 177.39 176.88 2pvy h PHE 676 N -0.23 0.00 0.00 -1.77 0.05 -1.53 -1.53 116.94 111.93 2pvy h PHE 676 Ca 0.00 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.79 2pvy h PHE 676 Cb 0.23 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.18 2pvy h PHE 676 CO -0.10 0.00 0.00 -0.25 -0.18 0.00 0.00 178.31 177.78 2pvy n ASP 677 N -2.87 0.31 -3.58 2.17 8.00 -0.58 -5.00 116.55 114.99 2pvy n ASP 677 Ca 0.03 -0.84 -0.27 0.00 0.71 0.00 0.00 54.79 54.42 2pvy n ASP 677 Cb 0.78 0.08 0.01 0.00 -0.02 0.00 0.00 41.12 41.96 2pvy n ASP 677 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2pvy n ARG 678 N -0.08 -4.29 -4.38 -1.24 5.12 -0.51 -4.95 116.66 106.33 2pvy n ARG 678 Ca 0.00 0.56 -0.24 0.00 -1.93 0.00 0.00 57.85 56.24 2pvy n ARG 678 Cb 0.12 -5.36 -0.13 0.00 -1.16 0.00 0.00 32.46 25.94 2pvy n ARG 678 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 2pvy s VAL 679 N -3.12 1.70 -0.06 1.55 -7.23 -0.97 -4.05 120.40 108.23 2pvy s VAL 679 Ca 0.51 -1.45 -0.02 0.00 -1.81 0.00 0.00 61.98 59.21 2pvy s VAL 679 Cb -0.26 -1.53 0.04 0.00 0.56 0.00 0.00 36.38 35.19 2pvy s VAL 679 CO 0.63 0.01 0.11 -0.47 -0.31 0.00 0.00 175.10 175.07 2pvy s TYR 680 N -1.06 -0.06 0.30 2.82 5.04 -1.15 -3.39 117.35 119.85 2pvy s TYR 680 Ca 0.07 0.41 0.04 0.00 -2.44 0.00 0.00 57.07 55.14 2pvy s TYR 680 Cb -0.10 -0.32 -0.01 0.00 0.35 0.00 0.00 41.96 41.88 2pvy s TYR 680 CO 0.04 -0.21 0.13 0.25 -1.34 0.00 0.00 175.55 174.42 2pvy n THR 681 N 5.05 0.00 0.26 4.34 -2.24 -1.26 -1.27 114.28 119.16 2pvy n THR 681 Ca -0.09 -1.84 0.09 0.00 -2.27 0.00 0.00 64.05 59.94 2pvy n THR 681 Cb 0.50 0.71 0.66 0.00 -2.10 0.00 0.00 70.33 70.10 2pvy n THR 681 CO 0.00 0.00 0.00 0.45 -0.57 0.00 0.00 175.07 174.95 2pvy h HIS 682 N 1.57 0.00 0.00 4.78 -0.00 -2.00 0.16 115.15 119.67 2pvy h HIS 682 Ca -0.23 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.14 2pvy h HIS 682 Cb 0.93 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.34 2pvy h HIS 682 CO 0.00 0.05 0.00 1.96 -0.00 0.00 0.00 177.93 179.94 2pvy h GLN 683 N 0.00 0.00 0.06 2.45 1.08 -1.93 -0.60 115.11 116.17 2pvy h GLN 683 Ca -0.00 0.00 -0.23 0.00 -1.45 0.00 0.00 58.65 56.97 2pvy h GLN 683 Cb 0.09 0.00 0.02 0.00 -0.05 0.00 0.00 27.48 27.54 2pvy h GLN 683 CO 0.01 0.00 -0.93 0.77 -0.95 0.00 0.00 178.83 177.72 2pvy h SER 684 N 0.00 0.72 -0.04 1.46 0.02 -1.07 -2.95 113.55 111.69 2pvy h SER 684 Ca 0.00 -0.80 -0.03 0.00 -0.84 0.00 0.00 61.79 60.11 2pvy h SER 684 Cb 0.47 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.77 2pvy h SER 684 CO 0.00 1.44 -0.05 0.44 -1.14 0.00 0.00 176.83 177.52 2pvy h ASP 685 N 0.08 0.22 -0.58 3.07 3.45 -1.05 -2.47 116.42 119.14 2pvy h ASP 685 Ca -0.13 -0.03 -0.08 0.00 0.43 0.00 0.00 57.03 57.21 2pvy h ASP 685 Cb 1.64 -0.06 -0.02 0.00 -0.56 0.00 0.00 39.33 40.33 2pvy h ASP 685 CO 0.18 0.31 0.04 0.58 -1.57 0.00 0.00 179.24 178.79 2pvy h VAL 686 N 0.23 1.26 -0.18 -1.35 2.07 -1.07 0.19 116.25 117.41 2pvy h VAL 686 Ca 0.05 -1.08 0.01 0.00 0.82 0.00 0.00 66.70 66.51 2pvy h VAL 686 Cb 0.25 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 30.81 2pvy h VAL 686 CO 0.01 0.39 0.07 -0.25 0.02 0.00 0.00 177.57 177.81 2pvy h TRP 687 N 0.90 0.13 -0.92 1.57 2.91 -1.28 -1.67 115.95 117.59 2pvy h TRP 687 Ca 0.17 0.01 0.08 0.00 1.13 0.00 0.00 58.89 60.28 2pvy h TRP 687 Cb 0.50 -0.03 -0.07 0.00 -0.51 0.00 0.00 29.16 29.04 2pvy h TRP 687 CO 0.04 0.07 0.57 0.77 -1.03 0.00 0.00 178.44 178.86 2pvy h SER 688 N 0.17 0.88 -0.85 2.65 0.02 -1.10 0.15 113.55 115.45 2pvy h SER 688 Ca 0.08 0.03 0.08 0.00 -0.84 0.00 0.00 61.79 61.13 2pvy h SER 688 Cb 0.03 -0.15 -0.06 0.00 0.14 0.00 0.00 62.40 62.36 2pvy h SER 688 CO -0.07 0.53 0.55 0.15 -1.14 0.00 0.00 176.83 176.86 2pvy h PHE 689 N 0.99 0.93 -0.29 3.45 3.57 -0.10 -0.04 116.94 125.45 2pvy h PHE 689 Ca 0.42 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.95 2pvy h PHE 689 Cb 0.28 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 38.70 2pvy h PHE 689 CO -0.02 0.46 0.19 0.78 -2.23 0.00 0.00 178.31 177.48 2pvy h GLY 690 N 0.89 0.41 1.01 2.40 0.00 -0.13 0.32 103.07 107.96 2pvy h GLY 690 Ca 0.38 -0.16 -0.01 0.00 0.00 0.00 0.00 47.33 47.55 2pvy h GLY 690 CO -0.15 0.15 0.52 -2.08 0.00 0.00 0.00 176.54 174.98 2pvy h VAL 691 N 0.38 1.24 -0.56 4.60 2.07 -0.88 -1.58 116.25 121.52 2pvy h VAL 691 Ca 0.10 -0.52 0.02 0.00 0.82 0.00 0.00 66.70 67.12 2pvy h VAL 691 Cb -0.03 0.04 -0.03 0.00 -1.52 0.00 0.00 31.29 29.74 2pvy h VAL 691 CO -0.02 0.25 0.35 0.25 0.02 0.00 0.00 177.57 178.42 2pvy h LEU 692 N 1.18 0.58 -0.64 2.57 5.85 -0.46 -1.26 115.31 123.13 2pvy h LEU 692 Ca 0.31 -0.00 0.07 0.00 0.84 0.00 0.00 57.88 59.09 2pvy h LEU 692 Cb -0.05 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 40.80 2pvy h LEU 692 CO -0.06 0.41 0.33 0.24 -0.34 0.00 0.00 178.44 179.02 2pvy h MET 693 N 0.70 0.57 -0.82 1.25 2.86 -0.04 0.27 114.93 119.72 2pvy h MET 693 Ca 0.22 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.82 2pvy h MET 693 Cb -0.02 -0.13 -0.04 0.00 0.06 0.00 0.00 31.60 31.47 2pvy h MET 693 CO -0.08 0.38 0.50 2.35 1.06 0.00 0.00 176.91 181.12 2pvy h TRP 694 N 0.59 1.07 -0.55 -0.22 7.01 -0.61 -0.77 115.95 122.47 2pvy h TRP 694 Ca 0.30 0.00 -0.02 0.00 2.11 0.00 0.00 58.89 61.28 2pvy h TRP 694 Cb 0.25 -0.35 -0.03 0.00 -2.10 0.00 0.00 29.16 26.93 2pvy h TRP 694 CO -0.10 0.71 0.26 0.93 -2.79 0.00 0.00 178.44 177.44 2pvy h GLU 695 N 1.12 0.80 -0.13 2.65 5.08 -0.08 -1.81 114.58 122.21 2pvy h GLU 695 Ca 0.29 -0.12 0.01 0.00 -1.00 0.00 0.00 59.36 58.54 2pvy h GLU 695 Cb -0.06 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.04 2pvy h GLU 695 CO -0.06 0.66 0.06 0.82 -1.00 0.00 0.00 179.01 179.49 2pvy h ILE 696 N 0.74 0.99 0.00 3.13 2.04 -0.38 0.43 117.51 124.45 2pvy h ILE 696 Ca 0.19 -0.04 0.00 0.00 1.00 0.00 0.00 64.86 66.00 2pvy h ILE 696 Cb 0.13 0.85 0.00 0.00 -0.74 0.00 0.00 36.82 37.06 2pvy h ILE 696 CO -0.02 0.02 0.00 0.49 0.00 0.00 0.00 178.15 178.64 2pvy n PHE 697 N -5.04 0.00 -0.42 1.37 3.72 -0.35 -1.98 117.46 114.76 2pvy n PHE 697 Ca -0.04 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.43 2pvy n PHE 697 Cb 0.05 -0.34 0.23 0.00 -0.94 0.00 0.00 39.48 38.48 2pvy n PHE 697 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 2pvy n THR 698 N -1.34 1.36 -3.74 4.37 -2.24 -0.69 -4.68 114.28 107.31 2pvy n THR 698 Ca 0.12 -1.18 -0.29 0.00 -2.27 0.00 0.00 64.05 60.43 2pvy n THR 698 Cb 0.25 0.31 0.03 0.00 -2.10 0.00 0.00 70.33 68.82 2pvy n THR 698 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2pvy n LEU 699 N 0.62 -2.79 0.00 3.22 4.77 -0.84 -2.86 117.00 119.12 2pvy n LEU 699 Ca 0.18 -0.99 0.00 0.00 -0.03 0.00 0.00 56.01 55.17 2pvy n LEU 699 Cb 0.61 -2.40 0.00 0.00 -2.33 0.00 0.00 43.42 39.30 2pvy n LEU 699 CO 0.13 0.45 0.00 0.61 -1.33 0.00 0.00 177.39 177.25 2pvy n GLY 700 N -1.73 0.55 3.76 -0.72 0.00 0.15 -3.72 105.19 103.47 2pvy n GLY 700 Ca -0.17 -0.83 -0.30 0.00 0.00 0.00 0.00 46.02 44.72 2pvy n GLY 700 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2pvy s GLY 701 N -2.87 1.64 -0.20 -0.02 0.00 -1.14 -4.93 107.32 99.81 2pvy s GLY 701 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 44.72 44.54 2pvy s GLY 701 CO 0.00 0.42 0.50 -0.56 0.00 0.00 0.00 173.10 173.47 2pvy s SER 702 N -3.56 6.55 0.64 1.64 0.01 -1.26 -4.74 113.70 112.98 2pvy s SER 702 Ca 0.62 0.66 -0.18 0.00 1.31 0.00 0.00 55.95 58.35 2pvy s SER 702 Cb -0.17 -2.28 -0.02 0.00 0.21 0.00 0.00 66.02 63.76 2pvy s SER 702 CO 0.56 -0.16 1.26 -0.81 0.41 0.00 0.00 173.24 174.49 2pvy n PRO 703 N 4.72 1.12 -3.87 12.44 -0.04 -1.26 -3.31 135.00 144.80 2pvy n PRO 703 Ca -0.05 0.44 -0.36 0.00 -0.04 0.00 0.00 63.50 63.49 2pvy n PRO 703 Cb 0.50 -2.49 0.02 0.00 -0.04 0.00 0.00 33.50 31.49 2pvy n PRO 703 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2pvy n TYR 704 N -1.85 -1.68 -1.85 0.54 4.01 -1.26 -4.82 117.16 110.26 2pvy n TYR 704 Ca 0.15 0.37 -0.42 0.00 -0.16 0.00 0.00 57.90 57.84 2pvy n TYR 704 Cb 0.48 -3.24 -0.03 0.00 -0.31 0.00 0.00 39.34 36.24 2pvy n TYR 704 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 2pvy s PRO 705 N -6.59 4.17 0.00 -0.72 0.04 -1.21 -2.09 135.00 128.60 2pvy s PRO 705 Ca 0.40 2.48 0.00 0.00 0.04 0.00 0.00 61.00 63.92 2pvy s PRO 705 Cb -0.17 -3.10 0.00 0.00 0.04 0.00 0.00 34.50 31.26 2pvy s PRO 705 CO 0.91 -0.64 0.00 0.41 0.04 0.00 0.00 177.00 177.71 2pvy n GLY 706 N 3.45 1.79 3.42 0.56 0.00 -1.26 -5.02 105.19 108.13 2pvy n GLY 706 Ca 0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 2pvy n GLY 706 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2pvy s ILE 707 N -2.67 4.45 0.58 -0.61 1.01 -0.89 -5.08 121.20 117.99 2pvy s ILE 707 Ca 0.00 -0.48 -0.19 0.00 0.00 0.00 0.00 60.65 59.98 2pvy s ILE 707 Cb 0.00 -3.27 -0.04 0.00 0.01 0.00 0.00 42.46 39.16 2pvy s ILE 707 CO 0.00 0.07 1.19 -2.16 0.00 0.00 0.00 174.94 174.04 2pvy s PRO 708 N 1.59 3.05 0.31 2.79 0.04 -1.26 -4.87 135.00 136.65 2pvy s PRO 708 Ca 0.04 1.76 0.05 0.00 0.04 0.00 0.00 61.00 62.89 2pvy s PRO 708 Cb -0.17 -1.95 0.68 0.00 0.04 0.00 0.00 34.50 33.10 2pvy s PRO 708 CO 0.05 -1.13 1.83 0.28 0.04 0.00 0.00 177.00 178.08 2pvy h VAL 709 N 0.93 0.84 0.00 -0.36 2.07 -1.98 -0.97 116.25 116.78 2pvy h VAL 709 Ca -0.50 -0.29 -0.00 0.00 0.82 0.00 0.00 66.70 66.72 2pvy h VAL 709 Cb 1.29 -0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 30.98 2pvy h VAL 709 CO 0.55 0.16 -0.02 1.05 0.02 0.00 0.00 177.57 179.33 2pvy h GLU 710 N 0.85 0.00 0.00 1.57 9.09 -2.04 -2.51 114.58 121.54 2pvy h GLU 710 Ca 0.50 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.91 2pvy h GLU 710 Cb 0.66 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.76 2pvy h GLU 710 CO -0.27 0.02 -1.53 0.39 0.05 0.00 0.00 179.01 177.67 2pvy n GLU 711 N -3.17 0.56 -0.28 1.06 1.02 -0.40 -4.39 120.64 115.03 2pvy n GLU 711 Ca -0.02 -0.07 0.04 0.00 -0.02 0.00 0.00 57.16 57.09 2pvy n GLU 711 Cb 0.17 -1.62 0.17 0.00 -0.02 0.00 0.00 31.44 30.15 2pvy n GLU 711 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 2pvy h LEU 712 N 0.00 0.60 -0.39 -4.62 5.85 -1.12 -3.00 115.31 112.63 2pvy h LEU 712 Ca 0.00 0.06 0.04 0.00 0.84 0.00 0.00 57.88 58.82 2pvy h LEU 712 Cb 0.94 -0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.86 2pvy h LEU 712 CO 0.00 0.33 -0.32 -0.26 -0.34 0.00 0.00 178.44 177.85 2pvy h PHE 713 N 0.72 -0.99 -0.05 1.25 -1.00 -1.77 -1.11 116.94 113.98 2pvy h PHE 713 Ca 0.40 0.06 0.04 0.00 2.81 0.00 0.00 57.97 61.28 2pvy h PHE 713 Cb 0.43 0.48 -0.06 0.00 3.61 0.00 0.00 35.95 40.41 2pvy h PHE 713 CO -0.08 -0.24 -0.37 -0.22 -1.61 0.00 0.00 178.31 175.80 2pvy h LYS 714 N -0.11 -0.48 -0.54 1.51 3.64 -1.83 -2.81 116.57 115.97 2pvy h LYS 714 Ca 0.06 0.03 0.10 0.00 -1.27 0.00 0.00 60.65 59.58 2pvy h LYS 714 Cb 0.27 0.11 -0.09 0.00 -0.41 0.00 0.00 32.23 32.12 2pvy h LYS 714 CO -0.42 -0.32 0.03 -0.07 -2.27 0.00 0.00 179.45 176.40 2pvy h LEU 715 N -0.50 -0.16 -1.13 5.20 3.38 -1.31 0.04 115.31 120.84 2pvy h LEU 715 Ca 0.07 0.12 0.02 0.00 0.09 0.00 0.00 57.88 58.18 2pvy h LEU 715 Cb 0.60 0.20 -0.05 0.00 0.09 0.00 0.00 40.66 41.51 2pvy h LEU 715 CO -0.33 -0.05 0.59 -0.07 0.09 0.00 0.00 178.44 178.67 2pvy h LEU 716 N 0.15 1.00 -0.78 1.67 3.38 -1.09 0.10 115.31 119.74 2pvy h LEU 716 Ca 0.27 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.23 2pvy h LEU 716 Cb 0.42 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.89 2pvy h LEU 716 CO -0.42 0.70 0.51 0.11 0.09 0.00 0.00 178.44 179.43 2pvy h LYS 717 N 1.16 1.03 0.00 1.13 1.57 -0.76 -0.62 116.57 120.09 2pvy h LYS 717 Ca 0.35 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 59.06 2pvy h LYS 717 Cb -0.05 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.03 2pvy h LYS 717 CO -0.09 0.69 0.00 0.39 -0.57 0.00 0.00 179.45 179.86 2pvy n GLU 718 N -4.53 0.71 -0.28 3.15 1.02 -0.72 -4.82 120.64 115.17 2pvy n GLU 718 Ca 0.08 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.22 2pvy n GLU 718 Cb 0.02 -1.46 0.00 0.00 -0.02 0.00 0.00 31.44 29.98 2pvy n GLU 718 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2pvy n GLY 719 N 0.40 0.85 3.77 0.62 0.00 -0.24 -5.05 105.19 105.54 2pvy n GLY 719 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 2pvy n GLY 719 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2pvy n HIS 720 N -2.26 2.81 -3.81 1.61 -0.00 0.28 -4.98 115.22 108.88 2pvy n HIS 720 Ca 0.00 0.44 -0.12 0.00 -0.00 0.00 0.00 57.72 58.04 2pvy n HIS 720 Cb 0.00 -2.49 -0.09 0.00 -0.00 0.00 0.00 29.99 27.42 2pvy n HIS 720 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.34 177.37 2pvy s ARG 721 N -2.32 0.66 0.47 1.57 1.81 -1.26 -4.50 118.95 115.38 2pvy s ARG 721 Ca 0.58 -0.42 -0.23 0.00 -1.72 0.00 0.00 55.73 53.94 2pvy s ARG 721 Cb -0.46 0.28 -0.07 0.00 -0.45 0.00 0.00 34.95 34.26 2pvy s ARG 721 CO 0.60 -0.19 1.24 -1.64 -0.68 0.00 0.00 175.30 174.63 2pvy s MET 722 N -1.93 3.63 0.96 3.54 -1.94 -1.26 -5.01 119.30 117.29 2pvy s MET 722 Ca -0.10 1.95 -0.12 0.00 -1.71 0.00 0.00 55.69 55.72 2pvy s MET 722 Cb -0.04 -2.43 0.17 0.00 2.01 0.00 0.00 34.83 34.54 2pvy s MET 722 CO -0.00 -0.71 1.09 -0.51 -0.01 0.00 0.00 175.02 174.88 2pvy s ASP 723 N -1.15 2.80 0.14 3.03 1.11 -1.26 -4.97 116.67 116.36 2pvy s ASP 723 Ca 0.64 1.63 -0.30 0.00 0.18 0.00 0.00 52.55 54.70 2pvy s ASP 723 Cb -0.33 -2.28 -0.07 0.00 1.07 0.00 0.00 42.92 41.31 2pvy s ASP 723 CO 0.40 -3.08 1.16 -0.75 1.18 0.00 0.00 175.17 174.08 2pvy s LYS 724 N -4.77 4.51 0.44 8.23 2.20 -1.26 -4.99 119.74 124.10 2pvy s LYS 724 Ca 0.65 1.78 -0.25 0.00 -0.36 0.00 0.00 55.97 57.79 2pvy s LYS 724 Cb -0.20 -3.29 -0.08 0.00 -1.51 0.00 0.00 37.83 32.74 2pvy s LYS 724 CO 0.59 -0.09 1.37 -2.14 -0.36 0.00 0.00 175.35 174.72 2pvy s PRO 725 N 0.19 3.76 0.45 4.03 0.02 -1.26 -4.92 135.00 137.28 2pvy s PRO 725 Ca 0.54 2.30 -0.25 0.00 0.02 0.00 0.00 61.00 63.61 2pvy s PRO 725 Cb -0.30 -2.67 -0.08 0.00 0.02 0.00 0.00 34.50 31.47 2pvy s PRO 725 CO 0.33 -0.71 1.42 0.00 -0.33 0.00 0.00 177.00 177.71 2pvy s ALA 726 N -1.23 3.22 -1.38 -1.55 0.00 -1.26 -2.33 121.76 117.22 2pvy s ALA 726 Ca 0.60 1.45 0.00 0.00 0.00 0.00 0.00 51.96 54.01 2pvy s ALA 726 Cb -0.41 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.12 2pvy s ALA 726 CO 0.53 -1.19 0.00 0.09 0.00 0.00 0.00 175.76 175.19 2pvy n ASN 727 N -0.23 -4.77 -4.40 0.00 3.02 -1.26 -4.92 115.26 102.70 2pvy n ASN 727 Ca 0.05 0.00 -0.33 0.00 -0.03 0.00 0.00 54.58 54.28 2pvy n ASN 727 Cb 0.42 -3.88 -0.14 0.00 -0.61 0.00 0.00 39.78 35.57 2pvy n ASN 727 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2pvy s THR 729 N 0.23 2.36 0.42 0.00 -4.23 -1.26 -4.86 115.64 108.30 2pvy s THR 729 Ca -0.08 0.26 0.10 0.00 -1.18 0.00 0.00 61.69 60.79 2pvy s THR 729 Cb -0.15 -3.13 0.23 0.00 1.34 0.00 0.00 72.50 70.79 2pvy s THR 729 CO 0.05 -0.01 2.02 -1.13 -0.54 0.00 0.00 174.62 175.01 2pvy h ASN 730 N 1.44 0.29 -0.90 3.99 -0.73 -1.98 -1.93 115.58 115.75 2pvy h ASN 730 Ca -0.51 -0.03 0.02 0.00 1.87 0.00 0.00 56.30 57.66 2pvy h ASN 730 Cb 1.29 -0.07 -0.05 0.00 0.27 0.00 0.00 38.32 39.76 2pvy h ASN 730 CO 0.57 0.29 0.59 -0.08 -0.37 0.00 0.00 177.43 178.44 2pvy h GLU 731 N 0.32 1.15 0.02 6.67 4.81 -2.00 -0.32 114.58 125.25 2pvy h GLU 731 Ca 0.08 -0.07 -0.21 0.00 -0.13 0.00 0.00 59.36 59.03 2pvy h GLU 731 Cb 0.11 -0.26 -0.01 0.00 0.63 0.00 0.00 28.75 29.22 2pvy h GLU 731 CO -0.01 0.76 -0.96 -0.07 -0.73 0.00 0.00 179.01 178.01 2pvy h LEU 732 N 1.19 0.27 -0.87 1.64 3.38 -1.75 -2.91 115.31 116.26 2pvy h LEU 732 Ca 0.34 -0.24 -0.11 0.00 0.09 0.00 0.00 57.88 57.97 2pvy h LEU 732 Cb -0.08 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 2pvy h LEU 732 CO -0.09 1.08 -0.36 0.22 0.09 0.00 0.00 178.44 179.37 2pvy h TYR 733 N 0.09 0.46 -0.23 1.13 3.20 -1.00 -1.60 116.97 119.02 2pvy h TYR 733 Ca -0.06 -0.12 -0.11 0.00 3.14 0.00 0.00 58.73 61.59 2pvy h TYR 733 Cb 1.62 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 39.78 2pvy h TYR 733 CO 0.03 0.71 -0.31 0.52 -1.64 0.00 0.00 178.16 177.47 2pvy h MET 734 N 0.33 0.46 -0.64 1.82 2.86 -1.06 -0.69 114.93 118.02 2pvy h MET 734 Ca 0.04 -0.19 -0.01 0.00 -2.06 0.00 0.00 59.70 57.47 2pvy h MET 734 Cb 0.80 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 32.41 2pvy h MET 734 CO 0.06 0.72 0.35 1.98 1.06 0.00 0.00 176.91 181.09 2pvy h MET 735 N 0.40 0.89 -0.16 1.72 1.85 -1.18 0.71 114.93 119.16 2pvy h MET 735 Ca 0.05 -0.11 0.01 0.00 -0.61 0.00 0.00 59.70 59.04 2pvy h MET 735 Cb 0.74 -0.17 -0.01 0.00 0.43 0.00 0.00 31.60 32.59 2pvy h MET 735 CO 0.06 0.68 0.09 0.52 -0.40 0.00 0.00 176.91 177.86 2pvy h MET 736 N 0.87 0.19 -0.65 0.39 2.07 -0.57 -1.90 114.93 115.33 2pvy h MET 736 Ca 0.22 -0.01 -0.04 0.00 -2.07 0.00 0.00 59.70 57.80 2pvy h MET 736 Cb 0.05 -0.04 -0.03 0.00 -1.87 0.00 0.00 31.60 29.70 2pvy h MET 736 CO -0.04 0.12 0.24 0.00 1.07 0.00 0.00 176.91 178.31 2pvy h ARG 737 N 0.19 0.96 -0.94 1.72 2.47 -0.73 -1.47 114.38 116.59 2pvy h ARG 737 Ca 0.06 -0.17 0.00 0.00 -1.26 0.00 0.00 59.98 58.62 2pvy h ARG 737 Cb -0.00 -0.16 -0.05 0.00 -1.65 0.00 0.00 29.97 28.11 2pvy h ARG 737 CO -0.03 0.80 0.60 -0.44 0.56 0.00 0.00 179.97 181.46 2pvy h ASP 738 N 0.94 1.10 -0.11 7.04 3.32 -0.57 -0.71 116.42 127.43 2pvy h ASP 738 Ca 0.22 -0.04 -0.04 0.00 0.02 0.00 0.00 57.03 57.19 2pvy h ASP 738 Cb 0.21 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 2pvy h ASP 738 CO -0.02 0.81 -0.03 0.00 -1.72 0.00 0.00 179.24 178.28 2pvy n TRP 740 N -4.32 2.03 -2.27 0.00 8.01 -0.29 -3.93 117.44 116.67 2pvy n TRP 740 Ca 0.00 -1.70 -0.41 0.00 -1.31 0.00 0.00 57.50 54.08 2pvy n TRP 740 Cb 0.22 -0.85 -0.03 0.00 -2.01 0.00 0.00 31.31 28.64 2pvy n TRP 740 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.69 175.67 2pvy s HIS 741 N -2.26 3.31 0.21 -5.99 3.76 -1.00 -4.91 115.29 108.41 2pvy s HIS 741 Ca 0.39 1.33 -0.09 0.00 -0.15 0.00 0.00 55.06 56.53 2pvy s HIS 741 Cb 0.32 -3.54 0.24 0.00 1.11 0.00 0.00 32.58 30.71 2pvy s HIS 741 CO 0.04 -1.59 1.81 0.00 -0.85 0.00 0.00 174.74 174.15 2pvy h ALA 742 N 5.05 0.89 -2.42 -1.40 0.00 -1.92 -3.39 119.26 116.08 2pvy h ALA 742 Ca -0.45 0.02 -0.59 0.00 0.00 0.00 0.00 54.91 53.88 2pvy h ALA 742 Cb 1.22 -0.12 -0.09 0.00 0.00 0.00 0.00 17.79 18.80 2pvy h ALA 742 CO 0.75 0.05 0.31 0.08 0.00 0.00 0.00 179.25 180.43 2pvy s VAL 743 N -6.09 4.92 0.24 0.00 1.01 -1.26 -4.80 120.40 114.41 2pvy s VAL 743 Ca -0.13 1.42 -0.05 0.00 0.00 0.00 0.00 61.98 63.23 2pvy s VAL 743 Cb 0.16 -4.05 0.21 0.00 0.00 0.00 0.00 36.38 32.70 2pvy s VAL 743 CO 0.76 0.02 1.75 -0.65 0.00 0.00 0.00 175.10 176.98 2pvy h PRO 744 N 7.55 0.51 0.00 2.72 0.11 -1.93 -1.03 132.00 139.93 2pvy h PRO 744 Ca -0.28 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.80 2pvy h PRO 744 Cb 1.12 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.12 2pvy h PRO 744 CO 0.82 0.34 0.00 -1.13 -0.21 0.00 0.00 178.00 177.82 2pvy n SER 745 N -4.93 0.43 -0.86 -2.05 3.41 -1.26 -1.88 113.62 106.47 2pvy n SER 745 Ca 0.14 0.64 0.12 0.00 -0.26 0.00 0.00 58.87 59.51 2pvy n SER 745 Cb 0.37 -0.72 0.20 0.00 -0.26 0.00 0.00 64.21 63.80 2pvy n SER 745 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2pvy n GLN 746 N -2.01 2.19 -3.56 4.33 6.02 -0.39 -4.92 117.38 119.04 2pvy n GLN 746 Ca 0.01 -1.73 -0.30 0.00 -0.01 0.00 0.00 57.00 54.97 2pvy n GLN 746 Cb 0.14 -1.47 -0.04 0.00 1.02 0.00 0.00 30.24 29.90 2pvy n GLN 746 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 2pvy s ARG 747 N -1.97 3.64 1.00 -1.09 0.52 -0.79 -4.89 118.95 115.38 2pvy s ARG 747 Ca 0.31 -0.04 -0.12 0.00 -0.52 0.00 0.00 55.73 55.36 2pvy s ARG 747 Cb 0.20 -2.76 0.19 0.00 0.52 0.00 0.00 34.95 33.10 2pvy s ARG 747 CO 0.31 0.37 1.08 -1.25 0.02 0.00 0.00 175.30 175.84 2pvy s PRO 748 N -2.98 0.39 0.23 3.54 0.04 -1.26 -5.04 135.00 129.91 2pvy s PRO 748 Ca 0.42 0.66 0.05 0.00 0.04 0.00 0.00 61.00 62.17 2pvy s PRO 748 Cb -0.11 -1.72 -0.03 0.00 0.04 0.00 0.00 34.50 32.67 2pvy s PRO 748 CO 0.26 -2.79 0.33 0.95 0.04 0.00 0.00 177.00 175.78 2pvy s THR 749 N -2.87 5.18 0.58 1.26 -4.23 -1.26 -4.94 115.64 109.36 2pvy s THR 749 Ca 0.65 -0.99 0.28 0.00 -1.18 0.00 0.00 61.69 60.46 2pvy s THR 749 Cb -0.20 -3.79 0.35 0.00 1.34 0.00 0.00 72.50 70.20 2pvy s THR 749 CO 0.59 -0.29 2.21 -0.26 -0.54 0.00 0.00 174.62 176.32 2pvy h PHE 750 N 1.36 0.00 -0.28 3.99 0.04 -1.93 -0.03 116.94 120.09 2pvy h PHE 750 Ca -0.51 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.22 2pvy h PHE 750 Cb 1.23 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.37 2pvy h PHE 750 CO 0.47 0.00 0.00 -0.22 -0.60 0.00 0.00 178.31 177.97 2pvy h LYS 751 N 0.00 0.48 -0.66 1.51 3.64 -1.93 -0.33 116.57 119.28 2pvy h LYS 751 Ca 0.02 -0.15 -0.07 0.00 -1.27 0.00 0.00 60.65 59.18 2pvy h LYS 751 Cb 0.12 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 31.87 2pvy h LYS 751 CO -0.00 0.64 0.14 1.96 -2.27 0.00 0.00 179.45 179.92 2pvy h GLN 752 N 0.27 1.07 -0.57 1.90 4.20 -1.46 -2.07 115.11 118.46 2pvy h GLN 752 Ca 0.08 -0.27 -0.05 0.00 0.06 0.00 0.00 58.65 58.47 2pvy h GLN 752 Cb 0.42 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.04 2pvy h GLN 752 CO 0.01 0.97 0.18 -0.07 -0.67 0.00 0.00 178.83 179.25 2pvy h LEU 753 N 0.99 0.83 -0.42 1.46 3.38 -1.00 -1.02 115.31 119.53 2pvy h LEU 753 Ca 0.20 -0.21 0.01 0.00 0.09 0.00 0.00 57.88 57.98 2pvy h LEU 753 Cb 0.39 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 2pvy h LEU 753 CO 0.01 0.82 0.27 0.58 0.09 0.00 0.00 178.44 180.21 2pvy h VAL 754 N 0.80 1.08 0.41 1.22 2.07 -0.85 0.68 116.25 121.67 2pvy h VAL 754 Ca 0.18 -0.19 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 2pvy h VAL 754 Cb 0.29 0.49 0.00 0.00 -1.52 0.00 0.00 31.29 30.55 2pvy h VAL 754 CO -0.01 0.10 -0.20 -0.33 0.02 0.00 0.00 177.57 177.16 2pvy h GLU 755 N 0.55 -0.53 0.10 1.57 5.08 -1.10 0.12 114.58 120.37 2pvy h GLU 755 Ca 0.16 0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.57 2pvy h GLU 755 Cb -0.04 0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 2pvy h GLU 755 CO -0.05 -0.34 -0.17 -0.44 -1.00 0.00 0.00 179.01 177.00 2pvy h ASP 756 N -0.57 -0.48 -0.73 1.42 3.32 -1.07 -2.28 116.42 116.04 2pvy h ASP 756 Ca -0.06 0.06 0.06 0.00 0.02 0.00 0.00 57.03 57.11 2pvy h ASP 756 Cb 0.43 0.18 -0.04 0.00 0.22 0.00 0.00 39.33 40.12 2pvy h ASP 756 CO 0.09 -0.25 0.48 -0.07 -1.72 0.00 0.00 179.24 177.77 2pvy h LEU 757 N -0.34 0.69 -0.99 1.55 3.38 -0.81 0.16 115.31 118.95 2pvy h LEU 757 Ca 0.02 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 2pvy h LEU 757 Cb 0.36 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 2pvy h LEU 757 CO -0.09 0.45 0.29 -0.78 0.09 0.00 0.00 178.44 178.40 2pvy h ASP 758 N 0.79 0.93 -0.05 -0.43 3.58 -0.22 0.23 116.42 121.25 2pvy h ASP 758 Ca 0.31 -0.12 -0.04 0.00 0.42 0.00 0.00 57.03 57.59 2pvy h ASP 758 Cb 0.21 -0.24 0.00 0.00 1.72 0.00 0.00 39.33 41.03 2pvy h ASP 758 CO -0.10 0.82 -0.14 -0.09 -2.88 0.00 0.00 179.24 176.85 2pvy h ARG 759 N 1.00 0.17 -1.00 0.28 2.43 -0.69 -2.69 114.38 113.88 2pvy h ARG 759 Ca 0.24 -0.13 0.05 0.00 -0.81 0.00 0.00 59.98 59.33 2pvy h ARG 759 Cb 0.17 0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 29.68 2pvy h ARG 759 CO -0.02 0.74 0.65 0.82 -1.51 0.00 0.00 179.97 180.65 2pvy h ILE 760 N -0.37 1.13 0.18 1.20 2.04 -0.86 -0.87 117.51 119.96 2pvy h ILE 760 Ca -0.00 -0.42 -0.01 0.00 1.00 0.00 0.00 64.86 65.43 2pvy h ILE 760 Cb 0.76 -0.19 0.00 0.00 -0.74 0.00 0.00 36.82 36.65 2pvy h ILE 760 CO 0.03 0.22 -0.09 0.25 0.00 0.00 0.00 178.15 178.56 2pvy h LEU 761 N 1.21 -0.21 -0.78 1.44 5.85 -0.97 -1.34 115.31 120.51 2pvy h LEU 761 Ca 0.41 -0.08 0.08 0.00 0.84 0.00 0.00 57.88 59.13 2pvy h LEU 761 Cb 0.09 0.05 -0.07 0.00 0.37 0.00 0.00 40.66 41.11 2pvy h LEU 761 CO -0.15 -0.05 0.44 0.74 -0.34 0.00 0.00 178.44 179.08 2pvy h THR 762 N -0.35 0.94 0.00 1.05 2.02 -1.10 -0.68 112.91 114.80 2pvy h THR 762 Ca -0.02 -0.27 -0.04 0.00 0.77 0.00 0.00 66.41 66.85 2pvy h THR 762 Cb 0.27 0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 66.77 2pvy h THR 762 CO 0.04 0.14 -0.19 -0.07 0.37 0.00 0.00 175.52 175.81 2pvy h LEU 763 N 0.78 0.00 -0.53 2.58 3.38 -0.99 -3.52 115.31 117.01 2pvy h LEU 763 Ca 0.36 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.33 2pvy h LEU 763 Cb 0.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.03 2pvy h LEU 763 CO -0.22 0.19 0.00 0.41 0.09 0.00 0.00 178.44 178.91