#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pwl s LEU 468 N 0.00 1.65 0.44 -4.62 2.96 -1.26 -5.12 118.68 112.73 2pwl s LEU 468 Ca 0.00 -0.45 -0.25 0.00 -0.22 0.00 0.00 54.13 53.21 2pwl s LEU 468 Cb 0.00 -1.13 -0.09 0.00 0.50 0.00 0.00 46.19 45.47 2pwl s LEU 468 CO 0.00 -0.04 1.29 -2.65 -1.32 0.00 0.00 176.35 173.63 2pwl n PRO 469 N 4.63 1.92 -2.38 0.98 -0.02 -1.26 -4.87 135.00 134.00 2pwl n PRO 469 Ca -0.17 0.69 -0.41 0.00 -2.02 0.00 0.00 63.50 61.59 2pwl n PRO 469 Cb 0.50 -2.43 -0.04 0.00 -0.02 0.00 0.00 33.50 31.52 2pwl n PRO 469 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 2pwl s GLU 470 N -2.31 4.55 -0.42 -0.52 2.02 -1.26 -4.98 118.70 115.77 2pwl s GLU 470 Ca 0.62 1.90 0.05 0.00 0.02 0.00 0.00 54.97 57.56 2pwl s GLU 470 Cb -0.49 -3.18 0.18 0.00 0.10 0.00 0.00 34.13 30.74 2pwl s GLU 470 CO 0.57 0.06 0.42 -3.47 0.02 0.00 0.00 175.26 172.85 2pwl n ASP 471 N 1.51 -0.78 -0.31 -0.19 4.64 -1.26 -5.03 116.55 115.13 2pwl n ASP 471 Ca 0.01 -2.49 0.16 0.00 -1.38 0.00 0.00 54.79 51.09 2pwl n ASP 471 Cb 0.44 -0.27 0.35 0.00 -1.04 0.00 0.00 41.12 40.61 2pwl n ASP 471 CO 0.00 0.00 0.00 -0.65 -0.82 0.00 0.00 177.20 175.73 2pwl h PRO 472 N 5.31 0.32 -0.01 -0.67 0.11 -1.94 -1.86 132.00 133.26 2pwl h PRO 472 Ca 0.21 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.31 2pwl h PRO 472 Cb 0.93 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 31.97 2pwl h PRO 472 CO 0.34 0.21 0.01 1.57 -0.21 0.00 0.00 178.00 179.92 2pwl h LYS 473 N 0.33 0.01 0.00 1.05 2.10 -2.03 -2.95 116.57 115.08 2pwl h LYS 473 Ca 0.61 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.26 2pwl h LYS 473 Cb 1.26 -0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.58 2pwl h LYS 473 CO -0.59 0.00 -1.86 0.91 -2.00 0.00 0.00 179.45 175.91 2pwl n TRP 474 N -4.54 0.00 -1.73 0.07 7.02 -0.76 -5.00 117.44 112.50 2pwl n TRP 474 Ca -0.03 0.00 -0.42 0.00 -1.02 0.00 0.00 57.50 56.03 2pwl n TRP 474 Cb 0.10 -0.43 -0.02 0.00 -2.42 0.00 0.00 31.31 28.54 2pwl n TRP 474 CO 0.00 0.00 0.00 -1.91 -2.02 0.00 0.00 177.69 173.76 2pwl n GLU 475 N -2.16 2.58 -5.19 -0.99 4.07 -0.82 -1.24 120.64 116.89 2pwl n GLU 475 Ca -0.03 0.92 -0.30 0.00 -0.06 0.00 0.00 57.16 57.69 2pwl n GLU 475 Cb 0.50 -2.68 -0.16 0.00 -0.06 0.00 0.00 31.44 29.04 2pwl n GLU 475 CO 0.00 0.00 0.00 0.12 -0.06 0.00 0.00 177.13 177.19 2pwl s PHE 476 N 0.00 2.19 0.01 4.31 5.36 0.53 -4.76 117.98 125.62 2pwl s PHE 476 Ca 0.65 -0.49 -0.30 0.00 -0.96 0.00 0.00 56.93 55.83 2pwl s PHE 476 Cb -0.52 -1.42 -0.07 0.00 -0.34 0.00 0.00 43.02 40.67 2pwl s PHE 476 CO 0.48 -0.09 1.62 -1.25 -1.46 0.00 0.00 175.22 174.53 2pwl s PRO 477 N -0.42 4.20 0.47 10.12 0.04 -1.26 -4.41 135.00 143.74 2pwl s PRO 477 Ca 0.05 2.22 0.18 0.00 0.04 0.00 0.00 61.00 63.49 2pwl s PRO 477 Cb -0.10 -3.76 1.17 0.00 0.04 0.00 0.00 34.50 31.84 2pwl s PRO 477 CO 0.00 -0.76 2.00 0.00 0.04 0.00 0.00 177.00 178.28 2pwl h ARG 478 N 8.78 0.24 0.00 4.56 3.08 -1.96 -1.84 114.38 127.25 2pwl h ARG 478 Ca -0.41 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.63 2pwl h ARG 478 Cb 1.19 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.19 2pwl h ARG 478 CO 0.94 0.16 0.00 -0.40 -1.07 0.00 0.00 179.97 179.59 2pwl n ASP 479 N -4.45 0.00 -0.71 7.04 5.68 -1.26 -2.76 116.55 120.09 2pwl n ASP 479 Ca 0.09 -0.12 0.06 0.00 -0.50 0.00 0.00 54.79 54.33 2pwl n ASP 479 Cb 0.43 -0.24 0.17 0.00 -1.14 0.00 0.00 41.12 40.33 2pwl n ASP 479 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 2pwl n LYS 480 N -1.24 2.70 -4.71 0.11 5.02 -0.69 -4.96 118.16 114.39 2pwl n LYS 480 Ca 0.11 -2.06 -0.33 0.00 -2.02 0.00 0.00 58.31 54.00 2pwl n LYS 480 Cb 0.16 -1.30 -0.13 0.00 -0.02 0.00 0.00 35.03 33.73 2pwl n LYS 480 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 2pwl s LEU 481 N -1.00 2.89 -0.30 -0.35 2.96 -1.11 -1.69 118.68 120.07 2pwl s LEU 481 Ca 0.26 -0.21 0.01 0.00 -0.22 0.00 0.00 54.13 53.96 2pwl s LEU 481 Cb 0.14 -1.64 0.09 0.00 0.50 0.00 0.00 46.19 45.27 2pwl s LEU 481 CO 0.18 0.23 0.06 -0.89 -1.32 0.00 0.00 176.35 174.62 2pwl s THR 482 N -0.05 1.32 0.38 3.68 2.01 -0.23 -4.99 115.64 117.77 2pwl s THR 482 Ca -0.01 -1.60 -0.27 0.00 0.31 0.00 0.00 61.69 60.12 2pwl s THR 482 Cb -0.14 -1.93 -0.10 0.00 0.01 0.00 0.00 72.50 70.34 2pwl s THR 482 CO 0.03 -0.56 1.41 -0.76 -0.69 0.00 0.00 174.62 174.06 2pwl s LEU 483 N 1.41 4.29 0.00 4.42 1.43 -1.26 -1.46 118.68 127.51 2pwl s LEU 483 Ca 0.08 2.90 0.00 0.00 -1.03 0.00 0.00 54.13 56.07 2pwl s LEU 483 Cb -0.18 -3.74 0.00 0.00 0.03 0.00 0.00 46.19 42.30 2pwl s LEU 483 CO -0.17 -0.85 0.00 0.61 0.23 0.00 0.00 176.35 176.17 2pwl n GLY 484 N 0.58 5.17 3.77 -3.19 0.00 0.31 -4.92 105.19 106.91 2pwl n GLY 484 Ca 0.02 -1.65 -0.38 0.00 0.00 0.00 0.00 46.02 44.01 2pwl n GLY 484 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2pwl s LYS 485 N 4.27 4.03 0.58 1.61 -2.85 -1.26 -4.54 119.74 121.57 2pwl s LYS 485 Ca 0.00 1.76 -0.19 0.00 -1.00 0.00 0.00 55.97 56.54 2pwl s LYS 485 Cb 0.00 -2.61 -0.04 0.00 -2.06 0.00 0.00 37.83 33.12 2pwl s LYS 485 CO 0.00 -0.32 1.19 -2.14 0.10 0.00 0.00 175.35 174.18 2pwl s PRO 486 N -2.40 3.07 -0.00 1.78 0.02 -1.26 -0.23 135.00 135.98 2pwl s PRO 486 Ca 0.58 1.79 0.13 0.00 0.02 0.00 0.00 61.00 63.52 2pwl s PRO 486 Cb -0.29 -1.96 -0.14 0.00 0.02 0.00 0.00 34.50 32.14 2pwl s PRO 486 CO 0.36 -1.12 0.53 1.28 -0.33 0.00 0.00 177.00 177.72 2pwl n LEU 487 N -1.50 0.57 0.00 -5.54 4.77 0.18 -4.76 117.00 110.73 2pwl n LEU 487 Ca 0.13 -0.47 0.00 0.00 -0.03 0.00 0.00 56.01 55.64 2pwl n LEU 487 Cb 0.50 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 2pwl n LEU 487 CO 0.44 0.14 0.00 0.61 -1.33 0.00 0.00 177.39 177.25 2pwl n GLY 488 N 1.32 4.76 3.78 -0.72 0.00 -1.19 -4.98 105.19 108.17 2pwl n GLY 488 Ca 0.02 -0.95 -0.39 0.00 0.00 0.00 0.00 46.02 44.71 2pwl n GLY 488 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2pwl s GLU 489 N -4.22 4.23 0.37 1.61 0.41 -1.26 -2.45 118.70 117.38 2pwl s GLU 489 Ca 0.00 0.67 0.00 0.00 -0.41 0.00 0.00 54.97 55.23 2pwl s GLU 489 Cb 0.00 -3.30 -0.00 0.00 -1.78 0.00 0.00 34.13 29.05 2pwl s GLU 489 CO 0.00 0.48 0.02 0.41 -0.49 0.00 0.00 175.26 175.68 2pwl n GLY 490 N 2.19 3.69 0.33 -1.39 0.00 0.20 -5.00 105.19 105.22 2pwl n GLY 490 Ca -0.09 -2.29 -0.10 0.00 0.00 0.00 0.00 46.02 43.54 2pwl n GLY 490 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pwl h ALA 491 N 1.24 -0.55 -0.03 4.61 0.00 -2.03 -3.19 119.26 119.31 2pwl h ALA 491 Ca -0.30 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2pwl h ALA 491 Cb 0.94 1.15 0.00 0.00 0.00 0.00 0.00 17.79 19.88 2pwl h ALA 491 CO 0.50 -0.81 0.00 1.97 0.00 0.00 0.00 179.25 180.91 2pwl n PHE 492 N -4.71 0.05 -3.72 0.00 1.16 -1.26 -5.08 117.46 103.90 2pwl n PHE 492 Ca -0.01 -0.58 -0.08 0.00 -1.87 0.00 0.00 57.45 54.92 2pwl n PHE 492 Cb 0.23 -0.07 0.03 0.00 -1.61 0.00 0.00 39.48 38.06 2pwl n PHE 492 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 2pwl n GLY 493 N -0.55 1.07 3.23 4.97 0.00 -1.20 -4.59 105.19 108.12 2pwl n GLY 493 Ca 0.04 -1.23 -0.22 0.00 0.00 0.00 0.00 46.02 44.60 2pwl n GLY 493 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2pwl s GLN 494 N -2.08 1.04 -0.05 1.61 0.74 0.15 0.63 119.66 121.70 2pwl s GLN 494 Ca 0.14 -1.01 0.04 0.00 0.05 0.00 0.00 55.36 54.58 2pwl s GLN 494 Cb -0.04 -1.17 -0.00 0.00 1.10 0.00 0.00 33.01 32.89 2pwl s GLN 494 CO 0.11 0.28 -0.17 0.08 -0.55 0.00 0.00 175.29 175.03 2pwl s VAL 495 N -1.10 1.46 0.05 1.34 1.01 -1.03 -0.72 120.40 121.42 2pwl s VAL 495 Ca 0.03 -0.73 0.03 0.00 0.00 0.00 0.00 61.98 61.32 2pwl s VAL 495 Cb -0.10 -1.26 -0.03 0.00 0.00 0.00 0.00 36.38 35.00 2pwl s VAL 495 CO 0.03 0.42 -0.10 0.68 0.00 0.00 0.00 175.10 176.13 2pwl s VAL 496 N 0.08 0.75 0.56 2.92 -7.23 -0.35 0.51 120.40 117.64 2pwl s VAL 496 Ca -0.05 -1.19 -0.17 0.00 -1.81 0.00 0.00 61.98 58.76 2pwl s VAL 496 Cb -0.12 -0.81 -0.05 0.00 0.56 0.00 0.00 36.38 35.96 2pwl s VAL 496 CO 0.03 -0.35 1.05 -0.32 -0.31 0.00 0.00 175.10 175.20 2pwl s MET 497 N -1.72 3.46 0.20 4.82 1.75 0.67 -1.00 119.30 127.48 2pwl s MET 497 Ca -0.06 1.26 -0.20 0.00 -1.25 0.00 0.00 55.69 55.43 2pwl s MET 497 Cb -0.09 -2.05 0.04 0.00 2.84 0.00 0.00 34.83 35.57 2pwl s MET 497 CO 0.01 -0.70 0.59 0.00 -0.65 0.00 0.00 175.02 174.27 2pwl s ALA 498 N -2.31 -1.24 -0.20 4.11 0.00 -0.40 0.12 121.76 121.83 2pwl s ALA 498 Ca 0.65 0.02 -0.02 0.00 0.00 0.00 0.00 51.96 52.61 2pwl s ALA 498 Cb -0.16 0.86 0.00 0.00 0.00 0.00 0.00 23.12 23.82 2pwl s ALA 498 CO 0.32 -0.84 -0.11 -2.00 0.00 0.00 0.00 175.76 173.12 2pwl s GLU 499 N -3.84 3.20 -0.20 0.00 2.12 -0.53 -0.23 118.70 119.22 2pwl s GLU 499 Ca 0.06 -0.72 -0.01 0.00 0.36 0.00 0.00 54.97 54.66 2pwl s GLU 499 Cb -0.02 -2.81 0.01 0.00 0.26 0.00 0.00 34.13 31.57 2pwl s GLU 499 CO -0.04 -0.20 -0.12 0.00 -0.54 0.00 0.00 175.26 174.35 2pwl s ALA 500 N 1.39 2.58 -0.17 6.30 0.00 0.65 -1.07 121.76 131.44 2pwl s ALA 500 Ca 0.05 -1.22 -0.24 0.00 0.00 0.00 0.00 51.96 50.55 2pwl s ALA 500 Cb -0.14 -1.46 -0.02 0.00 0.00 0.00 0.00 23.12 21.51 2pwl s ALA 500 CO -0.08 -0.43 0.77 0.08 0.00 0.00 0.00 175.76 176.10 2pwl s VAL 501 N 1.37 4.93 -0.75 0.00 1.01 -0.68 0.06 120.40 126.34 2pwl s VAL 501 Ca 0.05 1.51 0.00 0.00 0.00 0.00 0.00 61.98 63.54 2pwl s VAL 501 Cb -0.14 -4.08 0.00 0.00 0.00 0.00 0.00 36.38 32.16 2pwl s VAL 501 CO -0.08 0.06 0.00 0.61 0.00 0.00 0.00 175.10 175.69 2pwl n GLY 502 N 3.51 0.90 0.27 4.51 0.00 0.83 -4.88 105.19 110.33 2pwl n GLY 502 Ca 0.03 -0.44 0.06 0.00 0.00 0.00 0.00 46.02 45.66 2pwl n GLY 502 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2pwl h ILE 503 N 0.00 1.07 -3.08 -0.61 6.09 -1.78 -3.28 117.51 115.92 2pwl h ILE 503 Ca -0.14 -0.21 -0.64 0.00 -1.37 0.00 0.00 64.86 62.50 2pwl h ILE 503 Cb 0.58 0.89 -0.14 0.00 0.47 0.00 0.00 36.82 38.62 2pwl h ILE 503 CO 0.21 0.08 0.41 -0.62 -3.07 0.00 0.00 178.15 175.16 2pwl s ASP 504 N -6.92 6.27 0.26 2.19 -1.08 -1.26 -4.91 116.67 111.22 2pwl s ASP 504 Ca -0.06 -0.68 0.16 0.00 -0.52 0.00 0.00 52.55 51.45 2pwl s ASP 504 Cb 0.17 -2.39 0.87 0.00 -1.46 0.00 0.00 42.92 40.11 2pwl s ASP 504 CO 0.70 -1.18 1.46 0.29 0.52 0.00 0.00 175.17 176.96 2pwl n LYS 505 N 7.14 0.10 0.06 4.34 5.02 -1.24 -0.08 118.16 133.50 2pwl n LYS 505 Ca -0.02 0.59 0.13 0.00 -2.02 0.00 0.00 58.31 56.99 2pwl n LYS 505 Cb 0.46 -1.91 0.31 0.00 -0.02 0.00 0.00 35.03 33.87 2pwl n LYS 505 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2pwl n ASP 506 N -2.07 0.61 -3.38 4.39 8.00 -1.26 -4.22 116.55 118.62 2pwl n ASP 506 Ca -0.01 0.24 -0.26 0.00 0.71 0.00 0.00 54.79 55.47 2pwl n ASP 506 Cb 0.09 -0.18 -0.08 0.00 -0.02 0.00 0.00 41.12 40.93 2pwl n ASP 506 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2pwl n LYS 507 N -1.98 1.91 0.10 -1.24 4.01 0.89 -4.97 118.16 116.87 2pwl n LYS 507 Ca 0.05 -4.21 0.20 0.00 -0.51 0.00 0.00 58.31 53.84 2pwl n LYS 507 Cb 0.41 -1.94 0.72 0.00 -0.51 0.00 0.00 35.03 33.70 2pwl n LYS 507 CO 0.00 0.00 0.00 -1.35 -1.11 0.00 0.00 177.40 174.94 2pwl h PRO 508 N 4.22 0.00 -0.01 1.97 0.11 -1.73 -2.19 132.00 134.37 2pwl h PRO 508 Ca 0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.27 2pwl h PRO 508 Cb 0.73 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.84 2pwl h PRO 508 CO 0.71 0.00 -0.27 1.63 -0.21 0.00 0.00 178.00 179.86 2pwl n LYS 509 N -3.54 1.81 -2.73 1.05 4.01 -1.26 -3.64 118.16 113.85 2pwl n LYS 509 Ca 0.08 -0.75 -0.41 0.00 -0.51 0.00 0.00 58.31 56.72 2pwl n LYS 509 Cb 0.68 -1.20 -0.05 0.00 -0.51 0.00 0.00 35.03 33.95 2pwl n LYS 509 CO 0.00 0.00 0.00 -1.83 -1.11 0.00 0.00 177.40 174.46 2pwl s GLU 510 N -1.66 4.74 -0.26 1.97 -1.05 -0.82 -4.72 118.70 116.89 2pwl s GLU 510 Ca 0.11 1.47 -0.17 0.00 -0.15 0.00 0.00 54.97 56.23 2pwl s GLU 510 Cb 0.11 -3.35 -0.03 0.00 -0.44 0.00 0.00 34.13 30.42 2pwl s GLU 510 CO 0.34 0.29 0.48 0.00 0.95 0.00 0.00 175.26 177.32 2pwl s ALA 511 N -0.31 3.58 -0.14 -0.84 0.00 -1.26 -0.12 121.76 122.66 2pwl s ALA 511 Ca 0.45 -0.67 -0.03 0.00 0.00 0.00 0.00 51.96 51.72 2pwl s ALA 511 Cb -0.24 -2.85 -0.03 0.00 0.00 0.00 0.00 23.12 20.01 2pwl s ALA 511 CO 0.30 -0.73 -0.05 0.08 0.00 0.00 0.00 175.76 175.36 2pwl s VAL 512 N 2.25 3.78 -0.04 0.00 1.01 0.11 -4.86 120.40 122.64 2pwl s VAL 512 Ca 0.20 -0.40 -0.30 0.00 0.00 0.00 0.00 61.98 61.47 2pwl s VAL 512 Cb -0.16 -2.64 -0.04 0.00 0.00 0.00 0.00 36.38 33.55 2pwl s VAL 512 CO 0.09 0.51 1.30 -0.89 0.00 0.00 0.00 175.10 176.11 2pwl s THR 513 N 0.25 4.02 0.35 3.92 2.01 -1.26 -0.25 115.64 124.67 2pwl s THR 513 Ca -0.04 1.36 0.04 0.00 0.31 0.00 0.00 61.69 63.37 2pwl s THR 513 Cb -0.14 -3.87 -0.02 0.00 0.01 0.00 0.00 72.50 68.48 2pwl s THR 513 CO 0.03 -0.01 0.16 1.33 -0.69 0.00 0.00 174.62 175.44 2pwl n VAL 514 N 4.71 0.00 -5.26 3.82 0.24 0.69 -4.34 118.33 118.19 2pwl n VAL 514 Ca 0.12 -2.13 -0.31 0.00 -2.04 0.00 0.00 64.34 59.98 2pwl n VAL 514 Cb 0.45 0.83 -0.16 0.00 -1.47 0.00 0.00 33.84 33.49 2pwl n VAL 514 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2pwl s ALA 515 N -3.04 2.21 -0.11 2.33 0.00 -0.27 -1.28 121.76 121.60 2pwl s ALA 515 Ca 0.22 -1.10 0.02 0.00 0.00 0.00 0.00 51.96 51.11 2pwl s ALA 515 Cb 0.01 -0.61 0.01 0.00 0.00 0.00 0.00 23.12 22.53 2pwl s ALA 515 CO 0.16 0.51 -0.17 0.08 0.00 0.00 0.00 175.76 176.34 2pwl s VAL 516 N -0.55 1.62 -0.15 0.00 1.01 -0.17 -0.91 120.40 121.25 2pwl s VAL 516 Ca 0.08 -0.73 -0.06 0.00 0.00 0.00 0.00 61.98 61.27 2pwl s VAL 516 Cb -0.11 -1.46 -0.04 0.00 0.00 0.00 0.00 36.38 34.77 2pwl s VAL 516 CO -0.00 0.47 0.04 -0.75 0.00 0.00 0.00 175.10 174.86 2pwl s LYS 517 N 0.85 3.69 0.25 2.72 2.20 0.01 -1.21 119.74 128.25 2pwl s LYS 517 Ca -0.09 -0.36 -0.06 0.00 -0.36 0.00 0.00 55.97 55.10 2pwl s LYS 517 Cb -0.15 -3.08 -0.02 0.00 -1.51 0.00 0.00 37.83 33.06 2pwl s LYS 517 CO 0.00 0.40 0.33 0.00 -0.36 0.00 0.00 175.35 175.72 2pwl s MET 518 N -0.00 1.48 0.65 4.03 0.23 0.10 -1.68 119.30 124.11 2pwl s MET 518 Ca 0.05 -1.52 -0.15 0.00 -1.03 0.00 0.00 55.69 53.05 2pwl s MET 518 Cb -0.12 0.38 -0.00 0.00 -1.53 0.00 0.00 34.83 33.55 2pwl s MET 518 CO 0.01 -0.57 1.10 -0.51 -2.03 0.00 0.00 175.02 173.03 2pwl s LEU 519 N -3.12 3.39 0.62 0.18 1.43 -1.26 0.32 118.68 120.23 2pwl s LEU 519 Ca 0.31 1.96 -0.06 0.00 -1.03 0.00 0.00 54.13 55.32 2pwl s LEU 519 Cb 0.03 -4.55 0.02 0.00 0.03 0.00 0.00 46.19 41.72 2pwl s LEU 519 CO 0.13 -1.58 0.93 -0.54 0.23 0.00 0.00 176.35 175.51 2pwl s LYS 520 N -4.14 2.70 0.44 1.70 1.02 -1.26 -4.58 119.74 115.62 2pwl s LYS 520 Ca 0.66 -0.12 0.13 0.00 0.02 0.00 0.00 55.97 56.66 2pwl s LYS 520 Cb -0.20 -2.25 0.99 0.00 -0.52 0.00 0.00 37.83 35.85 2pwl s LYS 520 CO 0.42 -0.85 2.01 0.22 -0.92 0.00 0.00 175.35 176.23 2pwl h ASP 521 N -0.28 0.09 -0.73 2.83 -0.00 -2.00 -1.84 116.42 114.49 2pwl h ASP 521 Ca -0.45 -0.01 -0.26 0.00 -0.00 0.00 0.00 57.03 56.31 2pwl h ASP 521 Cb 1.28 -0.02 -0.15 0.00 -0.00 0.00 0.00 39.33 40.43 2pwl h ASP 521 CO 0.60 0.21 0.33 -0.90 -0.00 0.00 0.00 179.24 179.47 2pwl n ASP 522 N -4.37 4.42 -4.69 2.28 5.75 -1.26 -5.00 116.55 113.68 2pwl n ASP 522 Ca -0.02 -3.18 -0.38 0.00 -0.01 0.00 0.00 54.79 51.20 2pwl n ASP 522 Cb 0.20 -0.75 0.05 0.00 -1.03 0.00 0.00 41.12 39.60 2pwl n ASP 522 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2pwl n ALA 523 N -0.29 0.87 -2.28 2.12 0.00 -0.69 -5.04 120.51 115.20 2pwl n ALA 523 Ca 0.41 0.04 -0.21 0.00 0.00 0.00 0.00 53.44 53.68 2pwl n ALA 523 Cb 1.36 -2.25 -0.04 0.00 0.00 0.00 0.00 19.45 18.53 2pwl n ALA 523 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2pwl s THR 524 N -1.40 2.66 0.27 0.00 -4.23 -1.26 -4.99 115.64 106.69 2pwl s THR 524 Ca 0.77 -1.41 -0.04 0.00 -1.18 0.00 0.00 61.69 59.83 2pwl s THR 524 Cb -0.41 -3.01 0.24 0.00 1.34 0.00 0.00 72.50 70.66 2pwl s THR 524 CO 0.45 -0.01 1.92 -0.08 -0.54 0.00 0.00 174.62 176.36 2pwl h GLU 525 N 1.12 1.14 -0.15 3.99 4.81 -2.00 -1.53 114.58 121.96 2pwl h GLU 525 Ca -0.42 -0.10 -0.07 0.00 -0.13 0.00 0.00 59.36 58.64 2pwl h GLU 525 Cb 1.26 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 30.39 2pwl h GLU 525 CO 0.60 0.80 -0.23 -0.22 -0.73 0.00 0.00 179.01 179.23 2pwl h LYS 526 N 1.16 0.25 -0.55 1.92 1.63 -1.98 -1.78 116.57 117.23 2pwl h LYS 526 Ca 0.30 -0.08 -0.03 0.00 -0.85 0.00 0.00 60.65 60.00 2pwl h LYS 526 Cb -0.04 -0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 31.54 2pwl h LYS 526 CO -0.06 0.48 0.23 -0.44 -3.45 0.00 0.00 179.45 176.21 2pwl h ASP 527 N 0.23 0.75 -0.47 4.20 3.32 -1.61 0.35 116.42 123.19 2pwl h ASP 527 Ca 0.04 -0.16 -0.04 0.00 0.02 0.00 0.00 57.03 56.89 2pwl h ASP 527 Cb 0.54 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.87 2pwl h ASP 527 CO 0.04 0.70 0.14 0.25 -1.72 0.00 0.00 179.24 178.65 2pwl h LEU 528 N 0.74 0.68 -1.02 1.55 5.85 -1.12 -0.06 115.31 121.94 2pwl h LEU 528 Ca 0.18 -0.21 0.02 0.00 0.84 0.00 0.00 57.88 58.71 2pwl h LEU 528 Cb 0.18 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 40.98 2pwl h LEU 528 CO -0.02 0.71 0.66 -1.28 -0.34 0.00 0.00 178.44 178.17 2pwl h SER 529 N 0.62 1.12 -0.41 1.25 0.87 -0.98 0.44 113.55 116.46 2pwl h SER 529 Ca 0.15 -0.02 -0.15 0.00 -1.23 0.00 0.00 61.79 60.53 2pwl h SER 529 Cb 0.28 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 61.96 2pwl h SER 529 CO -0.00 0.79 -0.34 0.44 -0.53 0.00 0.00 176.83 177.19 2pwl h ASP 530 N 1.31 1.01 -0.53 6.23 3.32 -0.51 -1.04 116.42 126.21 2pwl h ASP 530 Ca 0.38 -0.45 -0.11 0.00 0.02 0.00 0.00 57.03 56.87 2pwl h ASP 530 Cb -0.09 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.16 2pwl h ASP 530 CO -0.10 1.25 -0.08 0.25 -1.72 0.00 0.00 179.24 178.84 2pwl h LEU 531 N 0.78 0.99 -0.12 1.55 5.85 -0.51 0.48 115.31 124.34 2pwl h LEU 531 Ca 0.07 -0.34 -0.00 0.00 0.84 0.00 0.00 57.88 58.45 2pwl h LEU 531 Cb 0.94 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.69 2pwl h LEU 531 CO 0.09 1.10 0.07 0.58 -0.34 0.00 0.00 178.44 179.93 2pwl h VAL 532 N 0.86 1.09 -0.94 1.05 2.07 -0.85 -1.80 116.25 117.72 2pwl h VAL 532 Ca 0.14 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.42 2pwl h VAL 532 Cb 0.64 1.03 -0.05 0.00 -1.52 0.00 0.00 31.29 31.40 2pwl h VAL 532 CO 0.04 0.08 0.60 -1.28 0.02 0.00 0.00 177.57 177.03 2pwl h SER 533 N 0.10 1.11 -0.65 0.57 0.87 -1.00 -1.13 113.55 113.41 2pwl h SER 533 Ca 0.04 -0.05 -0.03 0.00 -1.23 0.00 0.00 61.79 60.52 2pwl h SER 533 Cb 0.07 -0.28 -0.03 0.00 -0.44 0.00 0.00 62.40 61.72 2pwl h SER 533 CO -0.01 0.83 0.29 -0.08 -0.53 0.00 0.00 176.83 177.33 2pwl h GLU 534 N 1.29 0.95 -0.16 2.24 4.81 -0.66 -1.30 114.58 121.75 2pwl h GLU 534 Ca 0.34 -0.16 -0.01 0.00 -0.13 0.00 0.00 59.36 59.41 2pwl h GLU 534 Cb -0.11 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.10 2pwl h GLU 534 CO -0.07 0.78 0.07 1.98 -0.73 0.00 0.00 179.01 181.04 2pwl h MET 535 N 0.90 0.23 -0.74 1.92 4.05 -0.78 -2.11 114.93 118.40 2pwl h MET 535 Ca 0.22 -0.04 0.04 0.00 -0.28 0.00 0.00 59.70 59.64 2pwl h MET 535 Cb 0.16 -0.04 -0.04 0.00 -0.80 0.00 0.00 31.60 30.88 2pwl h MET 535 CO -0.02 0.29 0.49 0.93 0.23 0.00 0.00 176.91 178.83 2pwl h GLU 536 N 0.12 0.87 -0.32 0.39 4.39 -0.97 -1.87 114.58 117.20 2pwl h GLU 536 Ca 0.05 -0.05 -0.03 0.00 0.34 0.00 0.00 59.36 59.67 2pwl h GLU 536 Cb 0.14 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 28.58 2pwl h GLU 536 CO -0.01 0.58 0.06 0.52 -1.16 0.00 0.00 179.01 179.00 2pwl h MET 537 N 0.90 0.52 0.00 2.33 2.86 -0.97 -2.50 114.93 118.07 2pwl h MET 537 Ca 0.30 -0.13 -0.02 0.00 -2.06 0.00 0.00 59.70 57.79 2pwl h MET 537 Cb 0.07 -0.06 -0.00 0.00 0.06 0.00 0.00 31.60 31.66 2pwl h MET 537 CO -0.09 0.60 -0.07 0.52 1.06 0.00 0.00 176.91 178.93 2pwl h MET 538 N 0.36 0.00 -0.04 1.72 2.86 -0.79 -1.39 114.93 117.64 2pwl h MET 538 Ca 0.10 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.70 2pwl h MET 538 Cb 0.32 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.99 2pwl h MET 538 CO 0.00 0.07 -0.15 0.87 1.06 0.00 0.00 176.91 178.77 2pwl h LYS 539 N 0.00 0.16 0.00 1.72 1.57 -0.94 -3.28 116.57 115.80 2pwl h LYS 539 Ca -0.00 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.65 2pwl h LYS 539 Cb 0.24 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.57 2pwl h LYS 539 CO 0.01 0.77 0.00 0.52 -0.57 0.00 0.00 179.45 180.18 2pwl h MET 540 N -0.41 0.00 0.22 3.15 2.86 -1.05 -3.26 114.93 116.44 2pwl h MET 540 Ca -0.01 0.00 -0.32 0.00 -2.06 0.00 0.00 59.70 57.31 2pwl h MET 540 Cb 0.79 0.00 0.03 0.00 0.06 0.00 0.00 31.60 32.49 2pwl h MET 540 CO 0.03 0.00 -1.41 0.82 1.06 0.00 0.00 176.91 177.41 2pwl h ILE 541 N 0.00 1.30 0.00 -1.22 2.04 -1.33 -3.51 117.51 114.80 2pwl h ILE 541 Ca 0.00 -2.68 0.00 0.00 1.00 0.00 0.00 64.86 63.18 2pwl h ILE 541 Cb 0.51 2.96 0.00 0.00 -0.74 0.00 0.00 36.82 39.54 2pwl h ILE 541 CO 0.00 0.80 0.00 0.61 0.00 0.00 0.00 178.15 179.56 2pwl n GLY 542 N 1.62 -1.80 3.77 5.37 0.00 -1.23 -4.95 105.19 107.97 2pwl n GLY 542 Ca -0.15 -1.80 -0.33 0.00 0.00 0.00 0.00 46.02 43.74 2pwl n GLY 542 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pwl s LYS 543 N 0.00 3.01 -0.17 1.61 1.02 -1.26 -4.87 119.74 119.07 2pwl s LYS 543 Ca 0.00 -0.53 -0.28 0.00 0.02 0.00 0.00 55.97 55.19 2pwl s LYS 543 Cb 0.00 -2.82 0.08 0.00 -0.52 0.00 0.00 37.83 34.57 2pwl s LYS 543 CO 0.00 0.63 0.75 -1.58 -0.92 0.00 0.00 175.35 174.23 2pwl s HIS 544 N -1.20 -0.68 0.34 3.18 2.46 -1.26 -5.05 115.29 113.07 2pwl s HIS 544 Ca 0.23 1.44 0.07 0.00 0.47 0.00 0.00 55.06 57.27 2pwl s HIS 544 Cb -0.12 0.35 0.75 0.00 -0.13 0.00 0.00 32.58 33.43 2pwl s HIS 544 CO 0.14 -0.46 1.88 -0.22 -2.47 0.00 0.00 174.74 173.62 2pwl h LYS 545 N 3.92 0.74 -0.85 2.88 3.64 -1.99 -2.93 116.57 121.98 2pwl h LYS 545 Ca -0.27 -0.04 -0.53 0.00 -1.27 0.00 0.00 60.65 58.54 2pwl h LYS 545 Cb 1.15 -0.17 -0.28 0.00 -0.41 0.00 0.00 32.23 32.52 2pwl h LYS 545 CO 0.22 0.49 0.43 0.09 -2.27 0.00 0.00 179.45 178.41 2pwl n ASN 546 N -4.55 5.21 -3.80 4.20 4.13 -1.26 -4.81 115.26 114.39 2pwl n ASN 546 Ca 0.16 -3.73 -0.15 0.00 1.68 0.00 0.00 54.58 52.54 2pwl n ASN 546 Cb 0.39 -0.80 -0.16 0.00 -1.54 0.00 0.00 39.78 37.68 2pwl n ASN 546 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2pwl s ILE 547 N -4.05 0.02 0.34 2.41 1.01 -1.11 -1.46 121.20 118.36 2pwl s ILE 547 Ca 0.57 0.15 -0.29 0.00 0.00 0.00 0.00 60.65 61.08 2pwl s ILE 547 Cb 0.47 -0.12 -0.12 0.00 0.01 0.00 0.00 42.46 42.70 2pwl s ILE 547 CO 0.03 0.09 1.41 0.00 0.00 0.00 0.00 174.94 176.48 2pwl n ILE 548 N 3.99 1.78 -4.32 2.92 0.13 -0.09 -4.64 119.36 119.13 2pwl n ILE 548 Ca -0.25 -0.45 -0.35 0.00 -1.10 0.00 0.00 62.75 60.60 2pwl n ILE 548 Cb 0.52 -1.77 -0.09 0.00 -0.84 0.00 0.00 39.64 37.46 2pwl n ILE 548 CO 0.00 0.00 0.00 -2.28 2.80 0.00 0.00 176.55 177.07 2pwl s HIS 549 N -0.87 3.20 0.08 9.51 5.65 -1.26 -4.97 115.29 126.62 2pwl s HIS 549 Ca 0.57 0.21 -0.30 0.00 0.25 0.00 0.00 55.06 55.79 2pwl s HIS 549 Cb -0.53 -1.81 -0.05 0.00 -1.18 0.00 0.00 32.58 29.00 2pwl s HIS 549 CO 0.60 0.48 1.10 -1.17 -0.65 0.00 0.00 174.74 175.10 2pwl s LEU 550 N -0.85 4.41 -0.02 8.88 2.96 -1.26 -1.37 118.68 131.42 2pwl s LEU 550 Ca 0.13 1.92 0.12 0.00 -0.22 0.00 0.00 54.13 56.08 2pwl s LEU 550 Cb -0.11 -3.58 -0.19 0.00 0.50 0.00 0.00 46.19 42.81 2pwl s LEU 550 CO 0.02 -0.32 0.25 0.18 -1.32 0.00 0.00 176.35 175.16 2pwl n LEU 551 N 3.45 0.00 0.00 -0.68 4.77 0.10 -4.92 117.00 119.72 2pwl n LEU 551 Ca 0.06 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 2pwl n LEU 551 Cb 0.48 0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 2pwl n LEU 551 CO 0.54 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.23 2pwl n GLY 552 N 1.84 -2.16 3.48 -0.72 0.00 -1.03 -5.00 105.19 101.60 2pwl n GLY 552 Ca -0.03 -1.39 -0.16 0.00 0.00 0.00 0.00 46.02 44.44 2pwl n GLY 552 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pwl s ALA 553 N -1.69 -1.68 -0.39 4.61 0.00 -0.37 -0.83 121.76 121.40 2pwl s ALA 553 Ca 0.00 1.05 -0.08 0.00 0.00 0.00 0.00 51.96 52.93 2pwl s ALA 553 Cb 0.00 0.25 0.07 0.00 0.00 0.00 0.00 23.12 23.43 2pwl s ALA 553 CO 0.00 -0.48 0.21 0.00 0.00 0.00 0.00 175.76 175.49 2pwl n THR 555 N 4.88 0.00 -3.77 0.00 -2.24 -1.26 -1.64 114.28 110.25 2pwl n THR 555 Ca -0.10 -0.37 -0.37 0.00 -2.27 0.00 0.00 64.05 60.94 2pwl n THR 555 Cb 0.44 0.89 -0.06 0.00 -2.10 0.00 0.00 70.33 69.49 2pwl n THR 555 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2pwl s GLN 556 N -1.13 3.60 -0.04 -0.78 -1.52 -1.26 -4.70 119.66 113.83 2pwl s GLN 556 Ca 0.00 0.02 -0.03 0.00 -1.95 0.00 0.00 55.36 53.40 2pwl s GLN 556 Cb 0.00 -3.21 0.00 0.00 -0.22 0.00 0.00 33.01 29.59 2pwl s GLN 556 CO 0.00 0.74 0.05 -0.40 -0.25 0.00 0.00 175.29 175.43 2pwl n ASP 557 N 1.99 -0.85 0.00 5.90 5.68 -1.26 -4.85 116.55 123.16 2pwl n ASP 557 Ca -0.18 0.01 0.00 0.00 -0.50 0.00 0.00 54.79 54.12 2pwl n ASP 557 Cb 0.54 -0.23 0.00 0.00 -1.14 0.00 0.00 41.12 40.30 2pwl n ASP 557 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2pwl n GLY 558 N 0.27 2.53 3.70 6.12 0.00 -1.26 -5.13 105.19 111.41 2pwl n GLY 558 Ca -0.01 -1.39 -0.32 0.00 0.00 0.00 0.00 46.02 44.30 2pwl n GLY 558 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2pwl s PRO 559 N -1.99 1.45 -0.22 1.61 0.04 -1.26 -4.87 135.00 129.77 2pwl s PRO 559 Ca 0.00 1.61 -0.27 0.00 0.04 0.00 0.00 61.00 62.38 2pwl s PRO 559 Cb 0.00 -1.77 0.00 0.00 0.04 0.00 0.00 34.50 32.77 2pwl s PRO 559 CO 0.00 -2.32 0.95 -1.17 0.04 0.00 0.00 177.00 174.50 2pwl s LEU 560 N -6.09 4.11 -0.14 -3.56 2.96 -1.26 -4.62 118.68 110.09 2pwl s LEU 560 Ca 0.69 1.26 0.02 0.00 -0.22 0.00 0.00 54.13 55.88 2pwl s LEU 560 Cb -0.25 -3.40 0.01 0.00 0.50 0.00 0.00 46.19 43.06 2pwl s LEU 560 CO 0.54 -0.58 -0.21 -0.31 -1.32 0.00 0.00 176.35 174.47 2pwl s TYR 561 N 2.89 2.61 -0.34 5.38 2.02 -0.65 -4.48 117.35 124.78 2pwl s TYR 561 Ca 0.41 -1.34 -0.07 0.00 -0.37 0.00 0.00 57.07 55.70 2pwl s TYR 561 Cb -0.15 -1.79 0.04 0.00 -0.40 0.00 0.00 41.96 39.65 2pwl s TYR 561 CO 0.08 -0.63 0.11 0.08 -1.57 0.00 0.00 175.55 173.62 2pwl s VAL 562 N 0.89 3.82 -0.26 0.71 1.01 -0.67 -1.21 120.40 124.69 2pwl s VAL 562 Ca -0.05 -1.11 -0.17 0.00 0.00 0.00 0.00 61.98 60.64 2pwl s VAL 562 Cb -0.15 -3.16 -0.03 0.00 0.00 0.00 0.00 36.38 33.04 2pwl s VAL 562 CO -0.03 -0.18 0.47 -0.63 0.00 0.00 0.00 175.10 174.72 2pwl s ILE 563 N 1.41 5.11 0.25 2.22 1.01 -0.01 -0.81 121.20 130.37 2pwl s ILE 563 Ca -0.01 0.78 0.05 0.00 0.00 0.00 0.00 60.65 61.46 2pwl s ILE 563 Cb -0.19 -3.78 -0.05 0.00 0.01 0.00 0.00 42.46 38.44 2pwl s ILE 563 CO 0.03 0.11 -0.03 0.68 0.00 0.00 0.00 174.94 175.74 2pwl s VAL 564 N 2.21 1.28 0.64 2.92 -7.23 -0.08 0.03 120.40 120.16 2pwl s VAL 564 Ca 0.19 -2.07 -0.18 0.00 -1.81 0.00 0.00 61.98 58.12 2pwl s VAL 564 Cb -0.16 -2.37 -0.01 0.00 0.56 0.00 0.00 36.38 34.39 2pwl s VAL 564 CO 0.09 -0.32 1.22 -1.83 -0.31 0.00 0.00 175.10 173.95 2pwl s GLU 565 N -3.81 2.70 -0.16 4.82 -1.05 -0.47 -1.12 118.70 119.62 2pwl s GLU 565 Ca 0.28 1.85 -0.14 0.00 -0.15 0.00 0.00 54.97 56.82 2pwl s GLU 565 Cb 0.05 -1.89 -0.05 0.00 -0.44 0.00 0.00 34.13 31.80 2pwl s GLU 565 CO 0.10 -1.42 0.29 -0.47 0.95 0.00 0.00 175.26 174.71 2pwl s TYR 566 N -1.65 3.46 -0.40 4.83 5.04 -1.26 -4.47 117.35 122.90 2pwl s TYR 566 Ca 0.78 0.59 -0.09 0.00 -2.44 0.00 0.00 57.07 55.91 2pwl s TYR 566 Cb -0.31 -2.34 0.07 0.00 0.35 0.00 0.00 41.96 39.72 2pwl s TYR 566 CO 0.37 0.23 0.23 0.00 -1.34 0.00 0.00 175.55 175.04 2pwl s ALA 567 N 0.49 3.25 -0.34 3.97 0.00 -1.26 -4.86 121.76 123.01 2pwl s ALA 567 Ca 0.16 -2.04 0.20 0.00 0.00 0.00 0.00 51.96 50.28 2pwl s ALA 567 Cb -0.13 -2.59 1.02 0.00 0.00 0.00 0.00 23.12 21.42 2pwl s ALA 567 CO 0.04 -1.57 1.60 -1.13 0.00 0.00 0.00 175.76 174.69 2pwl n SER 568 N 4.91 0.51 -0.88 0.00 3.41 -1.25 -3.12 113.62 117.21 2pwl n SER 568 Ca -0.10 0.72 0.07 0.00 -0.26 0.00 0.00 58.87 59.30 2pwl n SER 568 Cb 0.44 -0.79 0.22 0.00 -0.26 0.00 0.00 64.21 63.81 2pwl n SER 568 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2pwl n LYS 569 N -2.17 3.02 -0.15 4.33 5.02 -0.53 -4.94 118.16 122.74 2pwl n LYS 569 Ca -0.01 -2.44 0.02 0.00 -2.02 0.00 0.00 58.31 53.87 2pwl n LYS 569 Cb 0.06 -1.55 -0.01 0.00 -0.02 0.00 0.00 35.03 33.52 2pwl n LYS 569 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2pwl n GLY 570 N 0.32 -1.78 3.78 0.72 0.00 -1.18 -4.55 105.19 102.50 2pwl n GLY 570 Ca 0.17 -1.29 -0.33 0.00 0.00 0.00 0.00 46.02 44.57 2pwl n GLY 570 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pwl s ASN 571 N -4.01 5.46 0.25 1.61 2.20 -1.26 -1.33 114.94 117.86 2pwl s ASN 571 Ca 0.00 1.94 -0.04 0.00 -0.94 0.00 0.00 52.86 53.82 2pwl s ASN 571 Cb 0.00 -2.55 0.42 0.00 -2.00 0.00 0.00 41.25 37.12 2pwl s ASN 571 CO 0.00 -1.39 1.81 0.25 -2.94 0.00 0.00 177.10 174.82 2pwl h LEU 572 N 0.32 0.67 -0.51 3.54 5.85 0.89 -1.69 115.31 124.37 2pwl h LEU 572 Ca -0.47 0.05 0.06 0.00 0.84 0.00 0.00 57.88 58.37 2pwl h LEU 572 Cb 1.24 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 42.14 2pwl h LEU 572 CO 0.56 0.37 0.20 -0.09 -0.34 0.00 0.00 178.44 179.14 2pwl h ARG 573 N 0.78 0.38 -0.34 1.25 2.43 -1.79 0.87 114.38 117.97 2pwl h ARG 573 Ca 0.41 -0.02 -0.11 0.00 -0.81 0.00 0.00 59.98 59.45 2pwl h ARG 573 Cb 0.40 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.86 2pwl h ARG 573 CO -0.26 0.25 -0.22 0.93 -1.51 0.00 0.00 179.97 179.16 2pwl h GLU 574 N 0.40 0.74 -0.25 0.20 5.08 -1.80 -1.80 114.58 117.15 2pwl h GLU 574 Ca 0.24 -0.35 0.06 0.00 -1.00 0.00 0.00 59.36 58.31 2pwl h GLU 574 Cb 0.23 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.42 2pwl h GLU 574 CO -0.23 0.97 -0.12 -0.92 -1.00 0.00 0.00 179.01 177.71 2pwl h TYR 575 N 0.52 -0.29 -0.41 4.33 3.20 -0.73 -1.84 116.97 121.74 2pwl h TYR 575 Ca 0.07 0.03 -0.10 0.00 3.14 0.00 0.00 58.73 61.86 2pwl h TYR 575 Cb 0.78 0.17 -0.01 0.00 1.54 0.00 0.00 36.73 39.20 2pwl h TYR 575 CO 0.06 -0.18 -0.14 -0.07 -1.64 0.00 0.00 178.16 176.19 2pwl h LEU 576 N -0.09 0.84 -1.79 2.82 3.38 -0.80 -3.02 115.31 116.65 2pwl h LEU 576 Ca 0.13 -0.38 -0.03 0.00 0.09 0.00 0.00 57.88 57.69 2pwl h LEU 576 Cb 0.29 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 2pwl h LEU 576 CO -0.31 1.03 -0.15 0.03 0.09 0.00 0.00 178.44 179.13 2pwl h ARG 577 N 0.64 0.00 0.00 1.13 3.08 -1.11 -1.92 114.38 116.20 2pwl h ARG 577 Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.15 2pwl h ARG 577 Cb 0.68 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.73 2pwl h ARG 577 CO 0.05 0.15 -0.17 0.00 -1.07 0.00 0.00 179.97 178.93 2pwl h ALA 578 N 1.85 0.91 -0.73 0.04 0.00 -1.24 -3.30 119.26 116.79 2pwl h ALA 578 Ca -0.00 0.00 -0.40 0.00 0.00 0.00 0.00 54.91 54.50 2pwl h ALA 578 Cb 0.38 0.00 -0.23 0.00 0.00 0.00 0.00 17.79 17.94 2pwl h ALA 578 CO 0.02 0.00 0.31 0.54 0.00 0.00 0.00 179.25 180.12 2pwl n ARG 579 N -2.72 2.20 -3.14 0.00 1.74 -0.72 -4.91 116.66 109.10 2pwl n ARG 579 Ca 0.04 -3.18 -0.40 0.00 -0.77 0.00 0.00 57.85 53.54 2pwl n ARG 579 Cb 0.50 -2.05 -0.06 0.00 -1.02 0.00 0.00 32.46 29.83 2pwl n ARG 579 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2pwl s ARG 580 N -3.36 4.29 -0.87 5.56 0.52 -1.21 -3.35 118.95 120.53 2pwl s ARG 580 Ca 0.53 0.64 -0.18 0.00 -0.52 0.00 0.00 55.73 56.20 2pwl s ARG 580 Cb 0.45 -3.52 -0.22 0.00 0.52 0.00 0.00 34.95 32.18 2pwl s ARG 580 CO 0.05 -0.09 2.27 -2.30 0.02 0.00 0.00 175.30 175.25 2pwl n PRO 581 N 4.47 0.30 -0.93 3.54 -0.02 -1.26 -5.02 135.00 136.09 2pwl n PRO 581 Ca -0.02 -0.50 -0.05 0.00 -2.02 0.00 0.00 63.50 60.91 2pwl n PRO 581 Cb 0.50 -2.52 -0.05 0.00 -0.02 0.00 0.00 33.50 31.42 2pwl n PRO 581 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 2pwl n GLU 596 N 7.31 0.00 -0.98 -0.52 0.00 -1.26 -5.21 120.64 119.99 2pwl n GLU 596 Ca 0.55 0.00 -0.35 0.00 0.00 0.00 0.00 57.16 57.36 2pwl n GLU 596 Cb 0.31 -0.82 0.08 0.00 0.00 0.00 0.00 31.44 31.00 2pwl n GLU 596 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.13 178.07 2pwl n GLN 597 N 3.92 -0.07 -3.45 5.31 -0.06 -1.26 -4.87 117.38 116.90 2pwl n GLN 597 Ca 0.14 0.01 -0.38 0.00 -2.00 0.00 0.00 57.00 54.77 2pwl n GLN 597 Cb 0.34 -1.54 -0.06 0.00 -4.06 0.00 0.00 30.24 24.92 2pwl n GLN 597 CO 0.00 0.00 0.00 -1.64 -0.20 0.00 0.00 177.06 175.22 2pwl s MET 598 N -2.80 4.04 0.41 3.69 -1.94 -1.21 -5.08 119.30 116.40 2pwl s MET 598 Ca 0.53 0.43 0.03 0.00 -1.71 0.00 0.00 55.69 54.97 2pwl s MET 598 Cb -0.25 -3.27 -0.00 0.00 2.01 0.00 0.00 34.83 33.32 2pwl s MET 598 CO 0.70 0.56 0.59 0.95 -0.01 0.00 0.00 175.02 177.82 2pwl s THR 599 N -0.68 3.94 0.18 2.05 -4.23 -1.26 -4.97 115.64 110.68 2pwl s THR 599 Ca 0.24 -0.72 -0.13 0.00 -1.18 0.00 0.00 61.69 59.91 2pwl s THR 599 Cb -0.16 -3.42 0.08 0.00 1.34 0.00 0.00 72.50 70.34 2pwl s THR 599 CO 0.13 -0.24 1.76 0.15 -0.54 0.00 0.00 174.62 175.88 2pwl h PHE 600 N 0.58 0.38 -0.67 3.99 3.57 -1.98 -1.60 116.94 121.21 2pwl h PHE 600 Ca -0.46 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.11 2pwl h PHE 600 Cb 1.26 -0.10 -0.05 0.00 2.79 0.00 0.00 35.95 39.85 2pwl h PHE 600 CO 0.44 0.16 0.39 -0.22 -2.23 0.00 0.00 178.31 176.84 2pwl h LYS 601 N 0.41 0.72 -0.24 1.11 3.64 -1.94 -1.42 116.57 118.85 2pwl h LYS 601 Ca 0.23 -0.04 0.05 0.00 -1.27 0.00 0.00 60.65 59.62 2pwl h LYS 601 Cb 0.20 -0.16 -0.05 0.00 -0.41 0.00 0.00 32.23 31.82 2pwl h LYS 601 CO -0.21 0.48 -0.07 -0.44 -2.27 0.00 0.00 179.45 176.94 2pwl h ASP 602 N 0.74 -0.25 -0.55 4.20 3.32 -1.70 0.15 116.42 122.33 2pwl h ASP 602 Ca 0.29 0.07 0.04 0.00 0.02 0.00 0.00 57.03 57.45 2pwl h ASP 602 Cb 0.12 0.16 -0.04 0.00 0.22 0.00 0.00 39.33 39.78 2pwl h ASP 602 CO -0.15 -0.09 0.31 -0.07 -1.72 0.00 0.00 179.24 177.52 2pwl h LEU 603 N -0.01 0.47 -1.02 1.55 3.38 -0.75 0.96 115.31 119.87 2pwl h LEU 603 Ca 0.12 0.02 -0.06 0.00 0.09 0.00 0.00 57.88 58.05 2pwl h LEU 603 Cb 0.19 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 2pwl h LEU 603 CO -0.25 0.32 0.05 0.58 0.09 0.00 0.00 178.44 179.23 2pwl h VAL 604 N 0.60 1.23 -0.04 1.22 2.07 -0.73 -2.08 116.25 118.51 2pwl h VAL 604 Ca 0.24 -0.88 -0.00 0.00 0.82 0.00 0.00 66.70 66.87 2pwl h VAL 604 Cb 0.10 0.81 -0.00 0.00 -1.52 0.00 0.00 31.29 30.68 2pwl h VAL 604 CO -0.14 0.32 0.01 -1.28 0.02 0.00 0.00 177.57 176.50 2pwl h SER 605 N 0.72 0.07 -0.53 0.57 0.87 0.52 0.03 113.55 115.80 2pwl h SER 605 Ca 0.15 -0.24 0.10 0.00 -1.23 0.00 0.00 61.79 60.57 2pwl h SER 605 Cb 0.36 -0.02 -0.08 0.00 -0.44 0.00 0.00 62.40 62.23 2pwl h SER 605 CO 0.01 0.29 0.08 0.00 -0.53 0.00 0.00 176.83 176.68 2pwl h THR 607 N 0.21 1.07 -0.36 0.00 2.02 -1.21 -1.65 112.91 112.99 2pwl h THR 607 Ca 0.27 -0.15 0.03 0.00 0.77 0.00 0.00 66.41 67.33 2pwl h THR 607 Cb 0.39 0.75 -0.03 0.00 -1.74 0.00 0.00 68.15 67.52 2pwl h THR 607 CO -0.38 0.07 0.16 0.22 0.37 0.00 0.00 175.52 175.97 2pwl h TYR 608 N 0.31 0.30 -0.55 3.16 3.20 -0.22 0.38 116.97 123.54 2pwl h TYR 608 Ca 0.09 0.02 0.03 0.00 3.14 0.00 0.00 58.73 62.00 2pwl h TYR 608 Cb -0.01 -0.08 -0.04 0.00 1.54 0.00 0.00 36.73 38.14 2pwl h TYR 608 CO -0.06 0.15 0.34 1.96 -1.64 0.00 0.00 178.16 178.91 2pwl h GLN 609 N 0.34 0.65 -0.19 1.82 4.20 -0.79 -0.60 115.11 120.53 2pwl h GLN 609 Ca 0.16 -0.04 -0.11 0.00 0.06 0.00 0.00 58.65 58.71 2pwl h GLN 609 Cb 0.09 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.71 2pwl h GLN 609 CO -0.13 0.43 -0.38 -0.07 -0.67 0.00 0.00 178.83 178.01 2pwl h LEU 610 N 0.66 0.43 -0.52 1.46 3.38 -0.91 -0.73 115.31 119.08 2pwl h LEU 610 Ca 0.22 -0.18 -0.06 0.00 0.09 0.00 0.00 57.88 57.96 2pwl h LEU 610 Cb 0.02 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 2pwl h LEU 610 CO -0.10 0.77 0.09 0.00 0.09 0.00 0.00 178.44 179.30 2pwl h ALA 611 N 1.25 0.69 -0.69 1.53 0.00 -0.44 -1.00 119.26 120.61 2pwl h ALA 611 Ca 0.04 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.65 2pwl h ALA 611 Cb 0.82 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 2pwl h ALA 611 CO 0.07 0.42 0.20 -0.09 0.00 0.00 0.00 179.25 179.85 2pwl h ARG 612 N 0.75 1.06 -0.52 0.00 2.43 -0.84 -0.44 114.38 116.81 2pwl h ARG 612 Ca 0.16 -0.22 -0.03 0.00 -0.81 0.00 0.00 59.98 59.07 2pwl h ARG 612 Cb 0.39 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.76 2pwl h ARG 612 CO 0.01 0.91 0.20 0.78 -1.51 0.00 0.00 179.97 180.36 2pwl h GLY 613 N 1.08 0.85 1.96 2.80 0.00 -0.76 -2.58 103.07 106.41 2pwl h GLY 613 Ca 0.22 -0.47 -0.11 0.00 0.00 0.00 0.00 47.33 46.98 2pwl h GLY 613 CO -0.01 0.44 -0.48 -0.33 0.00 0.00 0.00 176.54 176.16 2pwl h MET 614 N 0.71 0.05 -0.51 4.80 2.86 -0.78 -1.73 114.93 120.32 2pwl h MET 614 Ca 0.17 -0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.76 2pwl h MET 614 Cb 0.21 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.85 2pwl h MET 614 CO -0.01 0.52 0.19 1.49 1.06 0.00 0.00 176.91 180.15 2pwl h GLU 615 N 0.04 0.77 -0.23 1.72 4.81 -0.86 0.02 114.58 120.85 2pwl h GLU 615 Ca -0.00 -0.15 -0.03 0.00 -0.13 0.00 0.00 59.36 59.05 2pwl h GLU 615 Cb 0.87 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.12 2pwl h GLU 615 CO 0.06 0.69 0.04 -0.92 -0.73 0.00 0.00 179.01 178.15 2pwl h TYR 616 N 0.68 0.40 -0.33 0.92 5.03 -1.29 -1.86 116.97 120.52 2pwl h TYR 616 Ca 0.17 -0.06 0.04 0.00 2.58 0.00 0.00 58.73 61.47 2pwl h TYR 616 Cb 0.22 -0.11 -0.04 0.00 1.55 0.00 0.00 36.73 38.35 2pwl h TYR 616 CO 0.01 0.51 0.08 1.25 -1.32 0.00 0.00 178.16 178.68 2pwl h LEU 617 N 0.18 0.04 -0.98 2.82 5.85 -1.12 -1.90 115.31 120.19 2pwl h LEU 617 Ca 0.07 0.05 0.03 0.00 0.84 0.00 0.00 57.88 58.86 2pwl h LEU 617 Cb 0.32 0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.36 2pwl h LEU 617 CO 0.00 0.06 0.64 0.00 -0.34 0.00 0.00 178.44 178.81 2pwl h ALA 618 N 1.24 1.28 0.00 1.25 0.00 -0.88 -0.52 119.26 121.62 2pwl h ALA 618 Ca 0.15 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2pwl h ALA 618 Cb 0.16 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.58 2pwl h ALA 618 CO -0.19 0.57 0.00 -1.13 0.00 0.00 0.00 179.25 178.50 2pwl n SER 619 N -4.44 0.61 -1.10 0.00 3.41 -0.71 -1.04 113.62 110.35 2pwl n SER 619 Ca 0.13 0.66 0.08 0.00 -0.26 0.00 0.00 58.87 59.48 2pwl n SER 619 Cb 0.06 -0.79 0.25 0.00 -0.26 0.00 0.00 64.21 63.48 2pwl n SER 619 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2pwl n GLN 620 N -2.19 2.54 -2.79 4.33 1.13 -0.23 -4.91 117.38 115.26 2pwl n GLN 620 Ca 0.02 -2.05 -0.22 0.00 -1.94 0.00 0.00 57.00 52.81 2pwl n GLN 620 Cb 0.21 -1.53 0.02 0.00 0.11 0.00 0.00 30.24 29.04 2pwl n GLN 620 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 2pwl n LYS 621 N 1.01 -3.73 -4.75 -1.09 5.02 -0.20 -4.94 118.16 109.49 2pwl n LYS 621 Ca 0.19 0.95 -0.33 0.00 -2.02 0.00 0.00 58.31 57.09 2pwl n LYS 621 Cb 0.55 -5.72 -0.15 0.00 -0.02 0.00 0.00 35.03 29.68 2pwl n LYS 621 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2pwl s ILE 623 N 0.44 4.70 -0.09 0.00 -4.36 -0.09 -4.07 121.20 117.73 2pwl s ILE 623 Ca -0.10 -0.07 -0.27 0.00 -0.26 0.00 0.00 60.65 59.95 2pwl s ILE 623 Cb -0.16 -3.10 -0.25 0.00 1.25 0.00 0.00 42.46 40.20 2pwl s ILE 623 CO 0.05 0.48 0.92 -0.74 0.24 0.00 0.00 174.94 175.88 2pwl h HIS 624 N 6.53 0.09 0.00 1.37 -0.00 -1.91 -0.45 115.15 120.79 2pwl h HIS 624 Ca -0.38 -0.06 0.00 0.00 -0.00 0.00 0.00 60.37 59.93 2pwl h HIS 624 Cb 1.17 -0.01 0.00 0.00 -0.00 0.00 0.00 27.41 28.57 2pwl h HIS 624 CO 0.57 0.92 0.00 0.54 -0.00 0.00 0.00 177.93 179.96 2pwl n ARG 625 N -4.59 0.00 -2.74 5.26 1.74 -1.26 -2.86 116.66 112.21 2pwl n ARG 625 Ca -0.10 0.00 -0.04 0.00 -0.77 0.00 0.00 57.85 56.94 2pwl n ARG 625 Cb 0.47 -2.76 0.04 0.00 -1.02 0.00 0.00 32.46 29.19 2pwl n ARG 625 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2pwl n ASP 626 N 0.00 1.80 -4.71 0.55 4.64 -1.26 -4.78 116.55 112.80 2pwl n ASP 626 Ca 0.00 -2.35 -0.42 0.00 -1.38 0.00 0.00 54.79 50.64 2pwl n ASP 626 Cb 0.00 -0.49 -0.03 0.00 -1.04 0.00 0.00 41.12 39.57 2pwl n ASP 626 CO 0.00 0.00 0.00 -0.22 -0.82 0.00 0.00 177.20 176.16 2pwl s LEU 627 N -3.60 4.36 -0.23 -2.67 2.96 -1.26 -4.83 118.68 113.41 2pwl s LEU 627 Ca 0.29 2.13 -0.33 0.00 -0.22 0.00 0.00 54.13 56.00 2pwl s LEU 627 Cb 0.37 -3.58 0.16 0.00 0.50 0.00 0.00 46.19 43.63 2pwl s LEU 627 CO -0.02 -0.57 1.26 0.00 -1.32 0.00 0.00 176.35 175.70 2pwl s ALA 628 N 1.28 -2.09 0.37 5.97 0.00 -1.26 -4.85 121.76 121.18 2pwl s ALA 628 Ca 0.61 1.74 0.09 0.00 0.00 0.00 0.00 51.96 54.40 2pwl s ALA 628 Cb -0.32 -0.67 0.84 0.00 0.00 0.00 0.00 23.12 22.97 2pwl s ALA 628 CO 0.29 -0.44 1.92 0.00 0.00 0.00 0.00 175.76 177.52 2pwl h ALA 629 N 2.08 1.84 0.00 0.00 0.00 -1.94 0.13 119.26 121.38 2pwl h ALA 629 Ca -0.09 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2pwl h ALA 629 Cb 1.17 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.82 2pwl h ALA 629 CO 0.23 -0.02 0.00 0.07 0.00 0.00 0.00 179.25 179.52 2pwl h ARG 630 N 0.66 0.00 -0.57 0.00 0.11 -1.94 -2.35 114.38 110.29 2pwl h ARG 630 Ca 0.38 0.00 -0.09 0.00 0.10 0.00 0.00 59.98 60.37 2pwl h ARG 630 Cb 0.56 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 31.59 2pwl h ARG 630 CO -0.15 0.00 0.10 0.09 0.10 0.00 0.00 179.97 180.12 2pwl n ASN 631 N -2.86 4.94 -4.20 0.08 5.03 0.46 -4.74 115.26 113.97 2pwl n ASN 631 Ca 0.00 -3.10 -0.30 0.00 0.87 0.00 0.00 54.58 52.05 2pwl n ASN 631 Cb 0.22 -0.68 -0.17 0.00 -1.02 0.00 0.00 39.78 38.14 2pwl n ASN 631 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 2pwl s VAL 632 N -2.90 1.83 0.19 2.41 1.01 -0.92 -0.48 120.40 121.55 2pwl s VAL 632 Ca 0.52 -0.93 0.08 0.00 0.00 0.00 0.00 61.98 61.66 2pwl s VAL 632 Cb 0.41 -1.57 -0.04 0.00 0.00 0.00 0.00 36.38 35.18 2pwl s VAL 632 CO 0.13 0.51 -0.00 -0.76 0.00 0.00 0.00 175.10 174.98 2pwl s LEU 633 N 0.08 3.28 -0.12 3.92 1.43 0.43 0.89 118.68 128.59 2pwl s LEU 633 Ca -0.08 -0.44 0.01 0.00 -1.03 0.00 0.00 54.13 52.59 2pwl s LEU 633 Cb -0.14 -1.91 0.02 0.00 0.03 0.00 0.00 46.19 44.18 2pwl s LEU 633 CO 0.05 0.08 -0.15 0.54 0.23 0.00 0.00 176.35 177.09 2pwl s VAL 634 N -1.81 1.50 1.05 -1.59 0.11 -0.44 -0.11 120.40 119.10 2pwl s VAL 634 Ca 0.28 -0.63 -0.17 0.00 -2.93 0.00 0.00 61.98 58.52 2pwl s VAL 634 Cb -0.09 -1.38 0.23 0.00 -1.53 0.00 0.00 36.38 33.61 2pwl s VAL 634 CO 0.19 0.44 1.24 0.42 -3.33 0.00 0.00 175.10 174.06 2pwl s THR 635 N 1.08 1.85 0.52 5.04 -4.23 -0.86 -1.45 115.64 117.59 2pwl s THR 635 Ca -0.04 0.00 0.17 0.00 -1.18 0.00 0.00 61.69 60.63 2pwl s THR 635 Cb -0.14 -2.81 0.27 0.00 1.34 0.00 0.00 72.50 71.15 2pwl s THR 635 CO -0.03 0.00 2.14 -0.08 -0.54 0.00 0.00 174.62 176.11 2pwl h GLU 636 N -1.98 0.00 -0.56 3.99 4.57 -1.91 0.25 114.58 118.95 2pwl h GLU 636 Ca -0.45 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.73 2pwl h GLU 636 Cb 1.26 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.85 2pwl h GLU 636 CO 0.37 0.02 0.00 0.09 -1.18 0.00 0.00 179.01 178.31 2pwl n ASN 637 N -4.48 2.48 -2.33 1.04 5.03 -1.26 -4.89 115.26 110.84 2pwl n ASN 637 Ca -0.03 -2.20 -0.21 0.00 0.87 0.00 0.00 54.58 53.01 2pwl n ASN 637 Cb 0.10 -0.40 -0.02 0.00 -1.02 0.00 0.00 39.78 38.45 2pwl n ASN 637 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 2pwl n ASN 638 N 0.41 -5.90 -4.74 6.41 3.02 0.08 -4.97 115.26 109.58 2pwl n ASN 638 Ca 0.12 0.03 -0.39 0.00 -0.03 0.00 0.00 54.58 54.31 2pwl n ASN 638 Cb 0.48 -4.93 -0.05 0.00 -0.61 0.00 0.00 39.78 34.66 2pwl n ASN 638 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2pwl s VAL 639 N -3.02 4.97 0.06 2.41 1.01 -1.26 -4.82 120.40 119.75 2pwl s VAL 639 Ca 0.00 1.31 -0.30 0.00 0.00 0.00 0.00 61.98 62.99 2pwl s VAL 639 Cb 0.00 -3.97 -0.05 0.00 0.00 0.00 0.00 36.38 32.36 2pwl s VAL 639 CO 0.00 0.35 1.04 -0.04 0.00 0.00 0.00 175.10 176.45 2pwl s MET 640 N 0.24 4.57 -0.17 2.72 1.00 -1.26 -2.03 119.30 124.36 2pwl s MET 640 Ca 0.33 1.54 0.00 0.00 0.00 0.00 0.00 55.69 57.56 2pwl s MET 640 Cb -0.18 -3.40 0.04 0.00 0.00 0.00 0.00 34.83 31.29 2pwl s MET 640 CO 0.17 -0.02 -0.10 0.15 0.00 0.00 0.00 175.02 175.22 2pwl s LYS 641 N 0.63 1.88 0.05 2.03 -0.14 0.84 -4.25 119.74 120.78 2pwl s LYS 641 Ca 0.52 -0.62 -0.31 0.00 -1.36 0.00 0.00 55.97 54.21 2pwl s LYS 641 Cb -0.24 -2.13 -0.06 0.00 -1.68 0.00 0.00 37.83 33.71 2pwl s LYS 641 CO 0.29 -0.36 1.35 0.42 -0.76 0.00 0.00 175.35 176.29 2pwl s ILE 642 N 1.52 3.67 0.00 2.17 1.01 -0.54 -0.43 121.20 128.60 2pwl s ILE 642 Ca 0.02 1.14 0.00 0.00 0.00 0.00 0.00 60.65 61.80 2pwl s ILE 642 Cb -0.15 -3.73 0.00 0.00 0.01 0.00 0.00 42.46 38.59 2pwl s ILE 642 CO -0.09 0.05 0.00 0.00 0.00 0.00 0.00 174.94 174.90 2pwl n ALA 643 N 4.58 0.00 -3.11 9.38 0.00 0.37 -0.91 120.51 130.82 2pwl n ALA 643 Ca 0.12 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.48 2pwl n ALA 643 Cb 0.44 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.89 2pwl n ALA 643 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2pwl n ASP 644 N -1.59 -7.37 -1.65 0.00 -0.08 -1.26 -4.80 116.55 99.79 2pwl n ASP 644 Ca 0.00 0.00 -0.08 0.00 -1.51 0.00 0.00 54.79 53.21 2pwl n ASP 644 Cb 0.00 -4.70 0.18 0.00 2.34 0.00 0.00 41.12 38.94 2pwl n ASP 644 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 2pwl n PHE 645 N -1.32 1.75 0.31 -0.67 3.01 -1.26 -4.51 117.46 114.77 2pwl n PHE 645 Ca -0.01 -1.02 0.20 0.00 1.01 0.00 0.00 57.45 57.63 2pwl n PHE 645 Cb 0.52 -0.57 1.01 0.00 -0.01 0.00 0.00 39.48 40.43 2pwl n PHE 645 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 2pwl h GLY 646 N 2.97 0.00 -0.27 1.37 0.00 -1.91 -2.75 103.07 102.49 2pwl h GLY 646 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.58 2pwl h GLY 646 CO 0.56 0.00 -0.09 1.04 0.00 0.00 0.00 176.54 178.05 2pwl n LEU 647 N -3.17 0.97 -4.66 3.11 4.77 -1.26 -4.77 117.00 111.99 2pwl n LEU 647 Ca -0.02 -0.80 -0.38 0.00 -0.03 0.00 0.00 56.01 54.78 2pwl n LEU 647 Cb 0.16 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.29 2pwl n LEU 647 CO 0.23 0.21 0.70 0.00 -1.33 0.00 0.00 177.39 177.21 2pwl n ALA 648 N -0.25 0.66 -2.57 -1.18 0.00 -1.04 -4.74 120.51 111.39 2pwl n ALA 648 Ca 0.02 0.07 -0.09 0.00 0.00 0.00 0.00 53.44 53.44 2pwl n ALA 648 Cb 0.11 -2.19 -0.07 0.00 0.00 0.00 0.00 19.45 17.30 2pwl n ALA 648 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2pwl s ARG 649 N -2.76 0.85 0.24 0.00 1.81 -0.18 -4.97 118.95 113.95 2pwl s ARG 649 Ca 0.74 -0.95 -0.30 0.00 -1.72 0.00 0.00 55.73 53.50 2pwl s ARG 649 Cb -0.43 0.35 -0.09 0.00 -0.45 0.00 0.00 34.95 34.33 2pwl s ARG 649 CO 0.48 -0.27 1.00 0.34 -0.68 0.00 0.00 175.30 176.17 2pwl s ASP 650 N -2.86 7.50 0.53 0.23 -1.08 -1.26 -0.91 116.67 118.81 2pwl s ASP 650 Ca 0.05 2.05 0.37 0.00 -0.52 0.00 0.00 52.55 54.50 2pwl s ASP 650 Cb 0.05 -2.61 1.54 0.00 -1.46 0.00 0.00 42.92 40.43 2pwl s ASP 650 CO -0.11 0.03 1.75 -0.29 0.52 0.00 0.00 175.17 177.07 2pwl h ILE 651 N 3.21 0.33 -0.02 4.11 6.09 -0.78 0.42 117.51 130.89 2pwl h ILE 651 Ca -0.45 -0.01 0.00 0.00 -1.37 0.00 0.00 64.86 63.02 2pwl h ILE 651 Cb 1.20 0.29 0.00 0.00 0.47 0.00 0.00 36.82 38.78 2pwl h ILE 651 CO 0.68 0.01 -0.10 0.59 -3.07 0.00 0.00 178.15 176.26 2pwl n ASN 652 N -4.21 1.85 -3.46 2.19 3.02 -1.26 -4.46 115.26 108.93 2pwl n ASN 652 Ca 0.29 -1.52 -0.38 0.00 -0.03 0.00 0.00 54.58 52.94 2pwl n ASN 652 Cb 1.36 0.07 0.01 0.00 -0.61 0.00 0.00 39.78 40.61 2pwl n ASN 652 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2pwl n ASN 653 N 0.31 6.83 -4.05 6.41 5.15 0.15 -4.94 115.26 125.11 2pwl n ASN 653 Ca 0.15 -3.70 -0.19 0.00 -0.60 0.00 0.00 54.58 50.25 2pwl n ASN 653 Cb 0.43 -1.05 -0.14 0.00 -0.53 0.00 0.00 39.78 38.49 2pwl n ASN 653 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 2pwl s ILE 654 N -4.42 0.82 -0.93 -1.44 -1.09 -1.26 -4.63 121.20 108.26 2pwl s ILE 654 Ca 0.42 -0.52 -0.14 0.00 -2.23 0.00 0.00 60.65 58.18 2pwl s ILE 654 Cb 0.22 -0.70 0.21 0.00 -1.58 0.00 0.00 42.46 40.61 2pwl s ILE 654 CO -0.15 0.18 0.95 -0.62 -1.23 0.00 0.00 174.94 174.07 2pwl s ASP 655 N -0.39 6.86 0.53 3.58 -1.08 -1.26 -5.04 116.67 119.88 2pwl s ASP 655 Ca 0.03 -2.75 -0.21 0.00 -0.52 0.00 0.00 52.55 49.10 2pwl s ASP 655 Cb -0.05 -2.26 -0.06 0.00 -1.46 0.00 0.00 42.92 39.09 2pwl s ASP 655 CO -0.00 -0.63 1.18 -1.22 0.52 0.00 0.00 175.17 175.02 2pwl n TYR 656 N 4.37 1.66 -1.17 -5.34 4.01 -1.26 -3.26 117.16 116.17 2pwl n TYR 656 Ca 0.19 0.46 -0.09 0.00 -0.16 0.00 0.00 57.90 58.30 2pwl n TYR 656 Cb 0.46 -2.27 -0.04 0.00 -0.31 0.00 0.00 39.34 37.17 2pwl n TYR 656 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 2pwl n TYR 657 N -1.10 -0.14 -3.33 -0.72 0.53 -0.80 -4.94 117.16 106.65 2pwl n TYR 657 Ca 0.11 0.00 -0.38 0.00 -1.02 0.00 0.00 57.90 56.61 2pwl n TYR 657 Cb 0.44 -2.37 -0.06 0.00 -1.03 0.00 0.00 39.34 36.32 2pwl n TYR 657 CO 0.00 0.00 0.00 0.21 -1.02 0.00 0.00 176.86 176.05 2pwl s LYS 658 N -2.59 4.32 0.56 -0.72 2.20 -1.20 -4.96 119.74 117.35 2pwl s LYS 658 Ca 0.00 0.40 0.39 0.00 -0.36 0.00 0.00 55.97 56.40 2pwl s LYS 658 Cb 0.00 -3.45 1.52 0.00 -1.51 0.00 0.00 37.83 34.39 2pwl s LYS 658 CO 0.00 0.13 1.67 1.57 -0.36 0.00 0.00 175.35 178.37 2pwl h LYS 659 N 6.80 0.00 -0.02 4.03 5.09 -1.92 0.76 116.57 131.32 2pwl h LYS 659 Ca -0.40 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.34 2pwl h LYS 659 Cb 1.17 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.50 2pwl h LYS 659 CO 0.75 0.00 -0.10 0.25 -2.09 0.00 0.00 179.45 178.26 2pwl n THR 660 N -3.93 0.00 -2.23 0.07 -2.24 -1.26 -4.89 114.28 99.80 2pwl n THR 660 Ca 0.29 -0.26 -0.41 0.00 -2.27 0.00 0.00 64.05 61.40 2pwl n THR 660 Cb 1.47 0.69 -0.03 0.00 -2.10 0.00 0.00 70.33 70.36 2pwl n THR 660 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2pwl s THR 661 N -2.16 3.23 -0.36 4.28 2.01 0.26 -2.63 115.64 120.27 2pwl s THR 661 Ca 0.32 1.01 0.00 0.00 0.31 0.00 0.00 61.69 63.33 2pwl s THR 661 Cb 0.20 -3.65 0.00 0.00 0.01 0.00 0.00 72.50 69.06 2pwl s THR 661 CO 0.39 0.15 0.00 0.59 -0.69 0.00 0.00 174.62 175.06 2pwl n ASN 662 N 2.64 -4.65 0.10 3.53 3.02 -1.26 -4.85 115.26 113.79 2pwl n ASN 662 Ca 0.06 0.08 0.09 0.00 -0.03 0.00 0.00 54.58 54.78 2pwl n ASN 662 Cb 0.43 -2.44 0.42 0.00 -0.61 0.00 0.00 39.78 37.57 2pwl n ASN 662 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2pwl n GLY 663 N -0.93 -0.99 0.75 7.41 0.00 -1.08 -2.66 105.19 107.69 2pwl n GLY 663 Ca -0.03 0.09 0.08 0.00 0.00 0.00 0.00 46.02 46.15 2pwl n GLY 663 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pwl n ARG 664 N -2.01 2.50 -3.53 1.61 1.74 -1.26 -4.99 116.66 110.72 2pwl n ARG 664 Ca 0.01 -2.82 -0.37 0.00 -0.77 0.00 0.00 57.85 53.90 2pwl n ARG 664 Cb 0.13 -1.78 -0.06 0.00 -1.02 0.00 0.00 32.46 29.73 2pwl n ARG 664 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2pwl s LEU 665 N -2.88 4.36 0.08 0.55 1.43 -1.09 -5.02 118.68 116.12 2pwl s LEU 665 Ca 0.40 0.74 -0.32 0.00 -1.03 0.00 0.00 54.13 53.93 2pwl s LEU 665 Cb 0.33 -2.48 -0.11 0.00 0.03 0.00 0.00 46.19 43.97 2pwl s LEU 665 CO 0.07 0.21 1.86 -2.65 0.23 0.00 0.00 176.35 176.07 2pwl n PRO 666 N 2.67 2.67 -0.22 1.29 -0.02 -1.26 -4.89 135.00 135.24 2pwl n PRO 666 Ca -0.13 0.97 0.02 0.00 -2.02 0.00 0.00 63.50 62.34 2pwl n PRO 666 Cb 0.52 -2.87 0.13 0.00 -0.02 0.00 0.00 33.50 31.27 2pwl n PRO 666 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2pwl h VAL 667 N 4.92 0.71 0.00 -1.45 2.07 -1.95 -2.75 116.25 117.80 2pwl h VAL 667 Ca -0.47 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 66.91 2pwl h VAL 667 Cb 1.24 0.29 0.00 0.00 -1.52 0.00 0.00 31.29 31.29 2pwl h VAL 667 CO 0.94 0.07 0.00 0.29 0.02 0.00 0.00 177.57 178.89 2pwl n LYS 668 N -5.02 0.20 -0.00 1.57 5.02 -1.26 -2.15 118.16 116.51 2pwl n LYS 668 Ca 0.10 0.15 0.01 0.00 -2.02 0.00 0.00 58.31 56.55 2pwl n LYS 668 Cb 0.32 -1.50 0.01 0.00 -0.02 0.00 0.00 35.03 33.85 2pwl n LYS 668 CO 0.00 0.00 0.00 0.91 -0.52 0.00 0.00 177.40 177.79 2pwl n TRP 669 N -1.30 0.01 -3.33 2.13 8.01 -1.05 -4.97 117.44 116.95 2pwl n TRP 669 Ca 0.07 -0.07 -0.38 0.00 -1.31 0.00 0.00 57.50 55.81 2pwl n TRP 669 Cb 0.12 -0.01 -0.06 0.00 -2.01 0.00 0.00 31.31 29.36 2pwl n TRP 669 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.69 178.09 2pwl s MET 670 N -0.30 4.15 0.45 -0.99 1.75 -0.91 -4.04 119.30 119.41 2pwl s MET 670 Ca 0.03 0.63 -0.24 0.00 -1.25 0.00 0.00 55.69 54.86 2pwl s MET 670 Cb 0.02 -3.26 -0.08 0.00 2.84 0.00 0.00 34.83 34.35 2pwl s MET 670 CO 0.03 0.59 1.20 0.00 -0.65 0.00 0.00 175.02 176.19 2pwl s ALA 671 N -0.87 3.04 0.31 4.11 0.00 -1.26 -4.94 121.76 122.14 2pwl s ALA 671 Ca 0.28 1.01 0.01 0.00 0.00 0.00 0.00 51.96 53.25 2pwl s ALA 671 Cb -0.18 -3.41 0.54 0.00 0.00 0.00 0.00 23.12 20.06 2pwl s ALA 671 CO 0.17 -0.71 1.95 -1.35 0.00 0.00 0.00 175.76 175.82 2pwl h PRO 672 N 2.21 0.98 0.00 0.00 0.11 -1.96 -2.37 132.00 130.97 2pwl h PRO 672 Ca -0.49 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 65.53 2pwl h PRO 672 Cb 1.25 -0.22 -0.00 0.00 0.11 0.00 0.00 31.00 32.13 2pwl h PRO 672 CO 0.61 0.65 -0.13 0.93 -0.21 0.00 0.00 178.00 179.85 2pwl h GLU 673 N 1.01 0.00 -0.46 1.05 3.07 -1.91 -1.36 114.58 115.97 2pwl h GLU 673 Ca 0.33 0.00 0.09 0.00 -0.50 0.00 0.00 59.36 59.28 2pwl h GLU 673 Cb 0.05 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 27.94 2pwl h GLU 673 CO -0.10 0.13 0.32 0.00 -1.40 0.00 0.00 179.01 177.95 2pwl h ALA 674 N 1.87 2.11 0.00 3.43 0.00 -1.52 -0.40 119.26 124.75 2pwl h ALA 674 Ca -0.00 -0.01 -0.40 0.00 0.00 0.00 0.00 54.91 54.50 2pwl h ALA 674 Cb 0.25 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 17.93 2pwl h ALA 674 CO 0.02 -0.21 -2.38 -0.11 0.00 0.00 0.00 179.25 176.56 2pwl n LEU 675 N -4.46 2.15 0.14 0.00 7.94 -0.89 -3.41 117.00 118.46 2pwl n LEU 675 Ca 0.07 0.17 0.01 0.00 -1.11 0.00 0.00 56.01 55.15 2pwl n LEU 675 Cb 0.35 -0.76 0.32 0.00 0.53 0.00 0.00 43.42 43.86 2pwl n LEU 675 CO 0.35 0.64 0.73 -0.26 -1.11 0.00 0.00 177.39 177.73 2pwl h PHE 676 N -0.61 0.14 -0.00 1.96 0.04 -1.27 -3.28 116.94 113.92 2pwl h PHE 676 Ca -0.60 -0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.14 2pwl h PHE 676 Cb 1.64 -0.04 0.00 0.00 2.20 0.00 0.00 35.95 39.75 2pwl h PHE 676 CO -0.05 0.46 -0.10 -0.25 -0.60 0.00 0.00 178.31 177.77 2pwl n ASP 677 N -4.11 0.30 -3.55 2.17 8.00 -0.25 -5.03 116.55 114.10 2pwl n ASP 677 Ca -0.02 -0.65 -0.21 0.00 0.71 0.00 0.00 54.79 54.62 2pwl n ASP 677 Cb 0.41 0.84 0.08 0.00 -0.02 0.00 0.00 41.12 42.42 2pwl n ASP 677 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2pwl n ARG 678 N -0.86 -7.19 -4.46 -1.24 5.12 -0.66 -4.07 116.66 103.30 2pwl n ARG 678 Ca 0.01 0.82 -0.22 0.00 -1.93 0.00 0.00 57.85 56.53 2pwl n ARG 678 Cb 0.05 -5.84 -0.10 0.00 -1.16 0.00 0.00 32.46 25.41 2pwl n ARG 678 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 2pwl s VAL 679 N -3.35 1.06 -0.26 1.55 -7.23 -1.22 -1.91 120.40 109.04 2pwl s VAL 679 Ca 0.32 -2.00 -0.11 0.00 -1.81 0.00 0.00 61.98 58.38 2pwl s VAL 679 Cb -0.14 -2.71 0.10 0.00 0.56 0.00 0.00 36.38 34.19 2pwl s VAL 679 CO 0.74 0.00 0.59 -0.47 -0.31 0.00 0.00 175.10 175.65 2pwl s TYR 680 N -3.31 -1.11 0.36 2.82 5.04 -1.26 -3.79 117.35 116.10 2pwl s TYR 680 Ca 0.34 2.04 0.05 0.00 -2.44 0.00 0.00 57.07 57.05 2pwl s TYR 680 Cb 0.08 0.62 -0.02 0.00 0.35 0.00 0.00 41.96 42.99 2pwl s TYR 680 CO 0.15 -0.57 0.17 0.25 -1.34 0.00 0.00 175.55 174.21 2pwl n THR 681 N 5.05 0.00 0.09 4.34 -2.24 -1.26 -4.99 114.28 115.27 2pwl n THR 681 Ca -0.14 -2.19 0.04 0.00 -2.27 0.00 0.00 64.05 59.49 2pwl n THR 681 Cb 0.52 0.87 0.45 0.00 -2.10 0.00 0.00 70.33 70.07 2pwl n THR 681 CO 0.00 0.00 0.00 0.45 -0.57 0.00 0.00 175.07 174.95 2pwl h HIS 682 N 1.71 0.34 0.00 4.78 -0.00 -1.99 0.09 115.15 120.08 2pwl h HIS 682 Ca -0.27 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.09 2pwl h HIS 682 Cb 1.11 -0.11 0.00 0.00 -0.00 0.00 0.00 27.41 28.41 2pwl h HIS 682 CO 0.00 0.28 0.00 1.96 -0.00 0.00 0.00 177.93 180.17 2pwl h GLN 683 N 0.35 0.00 0.00 2.45 1.08 -1.93 -1.38 115.11 115.68 2pwl h GLN 683 Ca 0.09 0.00 -0.26 0.00 -1.45 0.00 0.00 58.65 57.03 2pwl h GLN 683 Cb 0.09 0.00 0.02 0.00 -0.05 0.00 0.00 27.48 27.54 2pwl h GLN 683 CO -0.01 0.00 -1.02 0.77 -0.95 0.00 0.00 178.83 177.62 2pwl h SER 684 N 0.00 0.80 0.02 1.46 0.02 -1.35 -2.94 113.55 111.55 2pwl h SER 684 Ca 0.00 -0.64 -0.08 0.00 -0.84 0.00 0.00 61.79 60.23 2pwl h SER 684 Cb 0.26 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.55 2pwl h SER 684 CO 0.00 1.44 -0.22 0.44 -1.14 0.00 0.00 176.83 177.36 2pwl h ASP 685 N 0.34 0.34 -0.68 3.07 3.45 -1.18 -2.52 116.42 119.25 2pwl h ASP 685 Ca -0.12 -0.10 -0.03 0.00 0.43 0.00 0.00 57.03 57.21 2pwl h ASP 685 Cb 1.67 -0.09 -0.03 0.00 -0.56 0.00 0.00 39.33 40.31 2pwl h ASP 685 CO 0.19 0.57 0.30 0.58 -1.57 0.00 0.00 179.24 179.31 2pwl h VAL 686 N 0.32 1.23 -0.17 -1.35 2.07 -1.26 0.15 116.25 117.24 2pwl h VAL 686 Ca 0.05 -0.71 -0.00 0.00 0.82 0.00 0.00 66.70 66.86 2pwl h VAL 686 Cb 0.56 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 2pwl h VAL 686 CO 0.04 0.29 0.10 -0.25 0.02 0.00 0.00 177.57 177.77 2pwl h TRP 687 N 1.00 0.24 -0.93 1.57 2.91 -1.28 -2.05 115.95 117.41 2pwl h TRP 687 Ca 0.24 -0.00 0.05 0.00 1.13 0.00 0.00 58.89 60.30 2pwl h TRP 687 Cb 0.16 -0.08 -0.06 0.00 -0.51 0.00 0.00 29.16 28.68 2pwl h TRP 687 CO 0.01 0.22 0.59 0.77 -1.03 0.00 0.00 178.44 179.01 2pwl h SER 688 N 0.18 0.96 -0.53 2.65 0.02 -1.11 -0.56 113.55 115.16 2pwl h SER 688 Ca 0.06 0.00 0.03 0.00 -0.84 0.00 0.00 61.79 61.05 2pwl h SER 688 Cb 0.06 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.37 2pwl h SER 688 CO -0.01 0.64 0.35 0.15 -1.14 0.00 0.00 176.83 176.82 2pwl h PHE 689 N 1.11 0.58 -0.62 3.45 3.57 -0.29 0.42 116.94 125.17 2pwl h PHE 689 Ca 0.39 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.89 2pwl h PHE 689 Cb 0.10 -0.19 -0.03 0.00 2.79 0.00 0.00 35.95 38.61 2pwl h PHE 689 CO -0.02 0.34 0.34 0.78 -2.23 0.00 0.00 178.31 177.53 2pwl h GLY 690 N 0.60 0.92 1.15 2.40 0.00 -0.40 0.17 103.07 107.91 2pwl h GLY 690 Ca 0.22 -0.42 -0.10 0.00 0.00 0.00 0.00 47.33 47.03 2pwl h GLY 690 CO -0.06 0.40 -0.02 -2.08 0.00 0.00 0.00 176.54 174.78 2pwl h VAL 691 N 0.84 1.26 -0.40 4.60 2.07 -0.88 -2.09 116.25 121.65 2pwl h VAL 691 Ca 0.22 -1.16 0.01 0.00 0.82 0.00 0.00 66.70 66.59 2pwl h VAL 691 Cb 0.04 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 30.63 2pwl h VAL 691 CO -0.04 0.42 0.26 0.25 0.02 0.00 0.00 177.57 178.48 2pwl h LEU 692 N 0.92 0.44 -1.00 2.57 5.85 -0.32 -0.96 115.31 122.82 2pwl h LEU 692 Ca 0.16 -0.01 0.09 0.00 0.84 0.00 0.00 57.88 58.96 2pwl h LEU 692 Cb 0.57 -0.10 -0.07 0.00 0.37 0.00 0.00 40.66 41.42 2pwl h LEU 692 CO 0.03 0.31 0.64 0.24 -0.34 0.00 0.00 178.44 179.32 2pwl h MET 693 N 0.52 1.07 -0.31 1.25 2.86 -0.33 1.00 114.93 120.98 2pwl h MET 693 Ca 0.15 -0.06 -0.10 0.00 -2.06 0.00 0.00 59.70 57.62 2pwl h MET 693 Cb -0.04 -0.24 -0.01 0.00 0.06 0.00 0.00 31.60 31.36 2pwl h MET 693 CO -0.04 0.71 -0.23 2.35 1.06 0.00 0.00 176.91 180.75 2pwl h TRP 694 N 1.10 0.68 -0.28 -0.22 7.01 -0.73 -1.57 115.95 121.94 2pwl h TRP 694 Ca 0.45 -0.15 -0.04 0.00 2.11 0.00 0.00 58.89 61.27 2pwl h TRP 694 Cb 0.29 -0.17 -0.01 0.00 -2.10 0.00 0.00 29.16 27.17 2pwl h TRP 694 CO -0.00 0.79 0.01 0.93 -2.79 0.00 0.00 178.44 177.38 2pwl h GLU 695 N 0.54 0.48 -0.06 2.65 5.08 0.23 -2.42 114.58 121.07 2pwl h GLU 695 Ca 0.08 -0.15 0.03 0.00 -1.00 0.00 0.00 59.36 58.32 2pwl h GLU 695 Cb 0.69 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.86 2pwl h GLU 695 CO 0.05 0.63 -0.09 0.82 -1.00 0.00 0.00 179.01 179.42 2pwl h ILE 696 N 0.28 0.74 0.00 3.13 2.04 -0.55 0.16 117.51 123.31 2pwl h ILE 696 Ca 0.08 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.94 2pwl h ILE 696 Cb 0.40 0.74 0.00 0.00 -0.74 0.00 0.00 36.82 37.22 2pwl h ILE 696 CO 0.01 0.00 0.00 0.49 0.00 0.00 0.00 178.15 178.65 2pwl n PHE 697 N -5.23 0.00 0.11 1.37 3.72 -0.62 -1.57 117.46 115.25 2pwl n PHE 697 Ca -0.05 0.00 0.10 0.00 -0.05 0.00 0.00 57.45 57.46 2pwl n PHE 697 Cb 0.15 -0.35 0.21 0.00 -0.94 0.00 0.00 39.48 38.55 2pwl n PHE 697 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 2pwl n THR 698 N -1.35 0.63 -3.59 4.37 -2.24 -0.91 -4.28 114.28 106.90 2pwl n THR 698 Ca 0.10 -0.81 -0.20 0.00 -2.27 0.00 0.00 64.05 60.86 2pwl n THR 698 Cb 0.22 0.84 0.06 0.00 -2.10 0.00 0.00 70.33 69.35 2pwl n THR 698 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2pwl n LEU 699 N 1.28 -3.49 0.00 3.22 4.77 -0.61 -3.26 117.00 118.91 2pwl n LEU 699 Ca 0.18 -0.71 0.00 0.00 -0.03 0.00 0.00 56.01 55.44 2pwl n LEU 699 Cb 0.55 -2.88 0.00 0.00 -2.33 0.00 0.00 43.42 38.76 2pwl n LEU 699 CO 0.14 0.42 0.00 0.61 -1.33 0.00 0.00 177.39 177.22 2pwl n GLY 700 N -1.42 0.97 3.83 -0.72 0.00 0.50 -3.28 105.19 105.06 2pwl n GLY 700 Ca -0.26 -0.56 -0.31 0.00 0.00 0.00 0.00 46.02 44.89 2pwl n GLY 700 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2pwl s GLY 701 N -2.62 1.66 -0.25 -0.02 0.00 -1.20 -4.90 107.32 99.99 2pwl s GLY 701 Ca 0.00 -0.01 -0.21 0.00 0.00 0.00 0.00 44.72 44.50 2pwl s GLY 701 CO 0.00 0.31 0.67 -0.56 0.00 0.00 0.00 173.10 173.52 2pwl s SER 702 N -3.92 6.64 0.58 1.64 0.01 -1.26 -4.72 113.70 112.67 2pwl s SER 702 Ca 0.58 0.79 -0.19 0.00 1.31 0.00 0.00 55.95 58.43 2pwl s SER 702 Cb -0.13 -2.36 -0.05 0.00 0.21 0.00 0.00 66.02 63.69 2pwl s SER 702 CO 0.55 -0.39 1.06 -0.81 0.41 0.00 0.00 173.24 174.06 2pwl n PRO 703 N 5.71 1.08 -3.98 12.44 -0.04 -1.26 -3.19 135.00 145.76 2pwl n PRO 703 Ca 0.01 0.41 -0.34 0.00 -0.04 0.00 0.00 63.50 63.54 2pwl n PRO 703 Cb 0.49 -2.26 -0.01 0.00 -0.04 0.00 0.00 33.50 31.68 2pwl n PRO 703 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2pwl n TYR 704 N -1.53 -1.57 -1.68 0.54 4.01 -1.26 -4.82 117.16 110.85 2pwl n TYR 704 Ca 0.13 0.45 -0.45 0.00 -0.16 0.00 0.00 57.90 57.86 2pwl n TYR 704 Cb 0.46 -3.22 -0.04 0.00 -0.31 0.00 0.00 39.34 36.23 2pwl n TYR 704 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 2pwl n PRO 705 N -4.57 2.26 -0.47 -0.72 -0.04 -1.19 -1.75 135.00 128.52 2pwl n PRO 705 Ca -0.20 0.82 0.00 0.00 -0.04 0.00 0.00 63.50 64.08 2pwl n PRO 705 Cb 0.63 -2.61 0.00 0.00 -0.04 0.00 0.00 33.50 31.48 2pwl n PRO 705 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2pwl n GLY 706 N 3.59 1.63 3.46 0.55 0.00 -1.26 -5.01 105.19 108.15 2pwl n GLY 706 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 2pwl n GLY 706 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2pwl s ILE 707 N -3.31 4.65 0.43 -0.61 1.01 -0.72 -5.07 121.20 117.57 2pwl s ILE 707 Ca 0.00 -0.27 -0.25 0.00 0.00 0.00 0.00 60.65 60.13 2pwl s ILE 707 Cb 0.00 -3.30 -0.08 0.00 0.01 0.00 0.00 42.46 39.09 2pwl s ILE 707 CO 0.00 0.16 1.25 -2.16 0.00 0.00 0.00 174.94 174.18 2pwl s PRO 708 N 1.64 3.84 0.36 2.79 0.04 -1.26 -4.90 135.00 137.51 2pwl s PRO 708 Ca 0.05 2.01 0.12 0.00 0.04 0.00 0.00 61.00 63.22 2pwl s PRO 708 Cb -0.16 -2.60 0.91 0.00 0.04 0.00 0.00 34.50 32.68 2pwl s PRO 708 CO 0.06 -0.55 1.81 0.28 0.04 0.00 0.00 177.00 178.64 2pwl h VAL 709 N 2.18 0.68 0.00 -0.36 2.07 -1.97 -1.26 116.25 117.59 2pwl h VAL 709 Ca -0.49 -0.20 -0.00 0.00 0.82 0.00 0.00 66.70 66.82 2pwl h VAL 709 Cb 1.25 0.03 -0.00 0.00 -1.52 0.00 0.00 31.29 31.05 2pwl h VAL 709 CO 0.61 0.11 -0.02 -0.33 0.02 0.00 0.00 177.57 177.96 2pwl h GLU 710 N 0.59 0.00 -0.21 1.57 3.07 -2.04 -2.89 114.58 114.67 2pwl h GLU 710 Ca 0.54 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.40 2pwl h GLU 710 Cb 1.07 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.98 2pwl h GLU 710 CO -0.29 0.02 0.00 -0.85 -1.40 0.00 0.00 179.01 176.49 2pwl n GLU 711 N -4.03 2.68 0.10 2.33 0.28 -0.48 -4.74 120.64 116.76 2pwl n GLU 711 Ca -0.03 -2.28 -0.13 0.00 -0.16 0.00 0.00 57.16 54.57 2pwl n GLU 711 Cb 0.10 -1.44 -0.08 0.00 1.43 0.00 0.00 31.44 31.45 2pwl n GLU 711 CO 0.00 0.00 0.00 1.25 -0.16 0.00 0.00 177.13 178.22 2pwl h LEU 712 N 1.29 -0.23 -2.22 -1.84 5.85 -1.41 -3.13 115.31 113.61 2pwl h LEU 712 Ca 0.00 -0.27 -0.01 0.00 0.84 0.00 0.00 57.88 58.44 2pwl h LEU 712 Cb 0.95 0.06 -0.00 0.00 0.37 0.00 0.00 40.66 42.04 2pwl h LEU 712 CO 0.07 0.19 -0.04 -0.26 -0.34 0.00 0.00 178.44 178.05 2pwl h PHE 713 N -0.70 0.00 -0.31 1.25 -1.00 -1.85 0.99 116.94 115.32 2pwl h PHE 713 Ca -0.03 0.00 -0.14 0.00 2.81 0.00 0.00 57.97 60.61 2pwl h PHE 713 Cb 0.49 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.04 2pwl h PHE 713 CO 0.05 0.04 -0.34 -0.22 -1.61 0.00 0.00 178.31 176.23 2pwl h LYS 714 N 0.00 0.78 -0.23 1.51 3.64 -1.89 -1.96 116.57 118.42 2pwl h LYS 714 Ca -0.00 -0.42 -0.13 0.00 -1.27 0.00 0.00 60.65 58.82 2pwl h LYS 714 Cb 0.11 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.94 2pwl h LYS 714 CO 0.01 1.05 -0.41 -0.07 -2.27 0.00 0.00 179.45 177.76 2pwl h LEU 715 N 0.54 0.57 -0.23 5.20 3.38 -1.13 -2.46 115.31 121.17 2pwl h LEU 715 Ca 0.04 -0.25 -0.02 0.00 0.09 0.00 0.00 57.88 57.74 2pwl h LEU 715 Cb 0.93 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 2pwl h LEU 715 CO 0.08 0.92 0.08 -0.07 0.09 0.00 0.00 178.44 179.54 2pwl h LEU 716 N 0.44 0.34 -0.93 1.67 4.07 -0.79 0.15 115.31 120.26 2pwl h LEU 716 Ca 0.04 -0.19 0.06 0.00 0.08 0.00 0.00 57.88 57.86 2pwl h LEU 716 Cb 0.91 -0.09 -0.06 0.00 1.08 0.00 0.00 40.66 42.50 2pwl h LEU 716 CO 0.08 0.44 0.59 0.11 -1.08 0.00 0.00 178.44 178.58 2pwl h LYS 717 N 0.21 1.06 0.00 1.13 6.56 -1.27 0.97 116.57 125.23 2pwl h LYS 717 Ca 0.08 -0.06 0.00 0.00 -1.06 0.00 0.00 60.65 59.60 2pwl h LYS 717 Cb 0.22 -0.24 0.00 0.00 -0.57 0.00 0.00 32.23 31.64 2pwl h LYS 717 CO -0.00 0.70 0.00 0.39 -2.06 0.00 0.00 179.45 178.48 2pwl n GLU 718 N -4.55 0.55 -0.06 3.15 1.02 -0.94 -4.87 120.64 114.94 2pwl n GLU 718 Ca 0.14 0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.31 2pwl n GLU 718 Cb 0.16 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.08 2pwl n GLU 718 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2pwl n GLY 719 N 0.41 0.63 3.76 0.62 0.00 0.34 -5.06 105.19 105.88 2pwl n GLY 719 Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 2pwl n GLY 719 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2pwl s HIS 720 N -2.10 2.45 -0.10 1.61 5.04 0.46 -4.97 115.29 117.69 2pwl s HIS 720 Ca 0.00 1.28 -0.14 0.00 -1.54 0.00 0.00 55.06 54.66 2pwl s HIS 720 Cb 0.00 -3.90 0.03 0.00 0.04 0.00 0.00 32.58 28.75 2pwl s HIS 720 CO 0.00 -2.90 0.35 1.03 -2.34 0.00 0.00 174.74 170.88 2pwl s ARG 721 N -2.49 0.51 0.58 2.88 1.81 -1.26 -4.54 118.95 116.44 2pwl s ARG 721 Ca 0.62 0.28 -0.20 0.00 -1.72 0.00 0.00 55.73 54.71 2pwl s ARG 721 Cb -0.43 0.24 -0.04 0.00 -0.45 0.00 0.00 34.95 34.27 2pwl s ARG 721 CO 0.55 -0.10 1.19 -1.33 -0.68 0.00 0.00 175.30 174.93 2pwl n MET 722 N 2.33 1.28 -1.55 3.54 2.81 -1.26 -4.98 117.12 119.30 2pwl n MET 722 Ca -0.16 0.48 -0.30 0.00 -1.81 0.00 0.00 57.70 55.92 2pwl n MET 722 Cb 0.57 -2.40 0.10 0.00 -0.71 0.00 0.00 33.22 30.79 2pwl n MET 722 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 2pwl s ASP 723 N -1.11 4.23 0.15 7.83 -0.00 -1.26 -5.01 116.67 121.51 2pwl s ASP 723 Ca 0.75 1.22 -0.30 0.00 -0.00 0.00 0.00 52.55 54.22 2pwl s ASP 723 Cb -0.42 -1.92 -0.08 0.00 -0.00 0.00 0.00 42.92 40.51 2pwl s ASP 723 CO 0.47 -2.12 1.24 -0.75 -0.00 0.00 0.00 175.17 174.01 2pwl s LYS 724 N -5.18 4.44 0.40 8.23 2.20 -1.26 -5.02 119.74 123.55 2pwl s LYS 724 Ca 0.62 1.91 -0.25 0.00 -0.36 0.00 0.00 55.97 57.88 2pwl s LYS 724 Cb -0.15 -3.26 -0.09 0.00 -1.51 0.00 0.00 37.83 32.83 2pwl s LYS 724 CO 0.54 -0.19 1.12 -2.14 -0.36 0.00 0.00 175.35 174.31 2pwl s PRO 725 N 0.22 4.11 0.09 4.03 0.02 -1.26 -4.99 135.00 137.23 2pwl s PRO 725 Ca 0.56 1.71 -0.23 0.00 0.02 0.00 0.00 61.00 63.06 2pwl s PRO 725 Cb -0.33 -2.64 -0.14 0.00 0.02 0.00 0.00 34.50 31.40 2pwl s PRO 725 CO 0.34 -0.23 1.74 0.00 -0.33 0.00 0.00 177.00 178.52 2pwl h ALA 726 N 2.62 0.01 0.00 -1.55 0.00 -1.95 -1.76 119.26 116.63 2pwl h ALA 726 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2pwl h ALA 726 Cb 1.23 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2pwl h ALA 726 CO 0.63 -0.50 0.00 0.09 0.00 0.00 0.00 179.25 179.47 2pwl n ASN 727 N -5.09 0.00 -4.87 0.00 3.02 -1.26 -4.73 115.26 102.32 2pwl n ASN 727 Ca -0.07 -0.49 -0.33 0.00 -0.03 0.00 0.00 54.58 53.66 2pwl n ASN 727 Cb 0.03 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.15 2pwl n ASN 727 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2pwl s THR 729 N -1.60 4.90 0.23 0.00 -1.32 -1.26 -4.91 115.64 111.69 2pwl s THR 729 Ca 0.40 0.49 -0.06 0.00 -1.21 0.00 0.00 61.69 61.31 2pwl s THR 729 Cb -0.13 -3.63 0.18 0.00 -1.51 0.00 0.00 72.50 67.41 2pwl s THR 729 CO 0.20 -0.13 1.79 0.78 -2.21 0.00 0.00 174.62 175.05 2pwl h ASN 730 N 2.36 0.52 0.18 8.08 2.35 -1.98 -0.61 115.58 126.47 2pwl h ASN 730 Ca -0.47 0.06 -0.00 0.00 -0.55 0.00 0.00 56.30 55.33 2pwl h ASN 730 Cb 1.17 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 39.50 2pwl h ASN 730 CO 0.68 0.29 -0.12 -0.08 -1.65 0.00 0.00 177.43 176.55 2pwl h GLU 731 N 0.65 -0.29 -0.27 0.81 4.81 -1.99 -0.27 114.58 118.04 2pwl h GLU 731 Ca 0.36 0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.61 2pwl h GLU 731 Cb 0.37 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.80 2pwl h GLU 731 CO -0.26 -0.19 0.16 -0.07 -0.73 0.00 0.00 179.01 177.91 2pwl h LEU 732 N -0.30 0.31 -0.35 1.64 3.38 -1.82 -1.54 115.31 116.63 2pwl h LEU 732 Ca -0.01 -0.01 -0.18 0.00 0.09 0.00 0.00 57.88 57.77 2pwl h LEU 732 Cb 0.26 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 2pwl h LEU 732 CO 0.01 0.24 -0.50 0.22 0.09 0.00 0.00 178.44 178.50 2pwl h TYR 733 N 0.36 1.07 -0.08 1.13 3.20 -0.65 -2.31 116.97 119.70 2pwl h TYR 733 Ca 0.10 -0.36 -0.01 0.00 3.14 0.00 0.00 58.73 61.60 2pwl h TYR 733 Cb -0.01 -0.21 -0.00 0.00 1.54 0.00 0.00 36.73 38.05 2pwl h TYR 733 CO 0.00 1.18 0.01 0.52 -1.64 0.00 0.00 178.16 178.24 2pwl h MET 734 N 0.68 0.11 -0.40 1.82 2.86 -0.11 -0.13 114.93 119.76 2pwl h MET 734 Ca 0.03 -0.01 -0.13 0.00 -2.06 0.00 0.00 59.70 57.53 2pwl h MET 734 Cb 1.10 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.73 2pwl h MET 734 CO 0.11 0.11 -0.25 1.98 1.06 0.00 0.00 176.91 179.92 2pwl h MET 735 N 0.11 0.87 -0.42 1.72 1.85 -0.97 -0.79 114.93 117.30 2pwl h MET 735 Ca 0.03 -0.41 -0.01 0.00 -0.61 0.00 0.00 59.70 58.70 2pwl h MET 735 Cb 0.05 -0.01 -0.02 0.00 0.43 0.00 0.00 31.60 32.05 2pwl h MET 735 CO -0.00 1.05 0.24 0.52 -0.40 0.00 0.00 176.91 178.32 2pwl h MET 736 N 0.69 0.59 -0.79 0.39 2.07 -0.59 -1.44 114.93 115.85 2pwl h MET 736 Ca 0.08 -0.06 -0.01 0.00 -2.07 0.00 0.00 59.70 57.63 2pwl h MET 736 Cb 0.82 -0.12 -0.04 0.00 -1.87 0.00 0.00 31.60 30.40 2pwl h MET 736 CO 0.07 0.46 0.44 0.00 1.07 0.00 0.00 176.91 178.95 2pwl h ARG 737 N 0.55 1.08 -0.65 1.72 2.47 -0.94 -1.40 114.38 117.22 2pwl h ARG 737 Ca 0.15 -0.11 -0.04 0.00 -1.26 0.00 0.00 59.98 58.72 2pwl h ARG 737 Cb 0.04 -0.22 -0.03 0.00 -1.65 0.00 0.00 29.97 28.11 2pwl h ARG 737 CO -0.03 0.78 0.26 -0.44 0.56 0.00 0.00 179.97 181.11 2pwl h ASP 738 N 1.09 0.90 0.20 7.04 3.32 -0.71 -1.49 116.42 126.78 2pwl h ASP 738 Ca 0.28 -0.17 -0.02 0.00 0.02 0.00 0.00 57.03 57.14 2pwl h ASP 738 Cb 0.01 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.32 2pwl h ASP 738 CO -0.05 0.82 -0.10 0.00 -1.72 0.00 0.00 179.24 178.20 2pwl n TRP 740 N -3.91 2.65 -2.14 0.00 8.01 -0.59 -3.68 117.44 117.79 2pwl n TRP 740 Ca -0.02 -1.41 -0.41 0.00 -1.31 0.00 0.00 57.50 54.34 2pwl n TRP 740 Cb 0.19 -0.78 -0.03 0.00 -2.01 0.00 0.00 31.31 28.68 2pwl n TRP 740 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.69 175.10 2pwl s HIS 741 N -3.03 3.14 0.20 -5.99 2.46 -0.75 -4.92 115.29 106.41 2pwl s HIS 741 Ca 0.54 1.21 -0.11 0.00 0.47 0.00 0.00 55.06 57.18 2pwl s HIS 741 Cb 0.44 -3.68 0.18 0.00 -0.13 0.00 0.00 32.58 29.40 2pwl s HIS 741 CO 0.12 -2.10 1.82 0.00 -2.47 0.00 0.00 174.74 172.11 2pwl h ALA 742 N 4.80 0.83 -2.06 1.58 0.00 -1.91 -3.40 119.26 119.10 2pwl h ALA 742 Ca -0.46 -0.00 -0.58 0.00 0.00 0.00 0.00 54.91 53.87 2pwl h ALA 742 Cb 1.22 -0.15 -0.07 0.00 0.00 0.00 0.00 17.79 18.78 2pwl h ALA 742 CO 0.75 0.08 0.73 0.08 0.00 0.00 0.00 179.25 180.89 2pwl s VAL 743 N -6.11 4.63 0.18 0.00 1.01 -1.26 -4.91 120.40 113.93 2pwl s VAL 743 Ca -0.13 1.72 -0.17 0.00 0.00 0.00 0.00 61.98 63.40 2pwl s VAL 743 Cb 0.15 -4.32 0.13 0.00 0.00 0.00 0.00 36.38 32.34 2pwl s VAL 743 CO 0.76 -0.33 1.64 -0.65 0.00 0.00 0.00 175.10 176.52 2pwl h PRO 744 N 7.89 -0.06 0.00 2.72 0.11 -1.95 -0.64 132.00 140.07 2pwl h PRO 744 Ca -0.21 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.91 2pwl h PRO 744 Cb 1.07 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.19 2pwl h PRO 744 CO 0.98 -0.04 0.00 -1.13 -0.21 0.00 0.00 178.00 177.60 2pwl n SER 745 N -5.37 0.00 -0.19 -2.05 3.41 -1.26 -1.85 113.62 106.31 2pwl n SER 745 Ca 0.04 0.49 0.12 0.00 -0.26 0.00 0.00 58.87 59.26 2pwl n SER 745 Cb 0.28 -0.49 0.26 0.00 -0.26 0.00 0.00 64.21 64.00 2pwl n SER 745 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2pwl n GLN 746 N -1.49 0.60 -2.62 4.33 1.13 -0.25 -4.88 117.38 114.20 2pwl n GLN 746 Ca 0.02 -0.39 -0.32 0.00 -1.94 0.00 0.00 57.00 54.37 2pwl n GLN 746 Cb 0.11 -1.49 -0.05 0.00 0.11 0.00 0.00 30.24 28.92 2pwl n GLN 746 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 2pwl s ARG 747 N -2.67 4.03 0.89 -1.09 0.52 -0.77 -4.95 118.95 114.92 2pwl s ARG 747 Ca 0.19 0.95 -0.12 0.00 -0.52 0.00 0.00 55.73 56.23 2pwl s ARG 747 Cb 0.18 -2.19 0.13 0.00 0.52 0.00 0.00 34.95 33.59 2pwl s ARG 747 CO 0.60 -0.14 1.10 -1.25 0.02 0.00 0.00 175.30 175.62 2pwl s PRO 748 N -3.69 1.28 0.46 3.54 0.04 -1.26 -5.05 135.00 130.33 2pwl s PRO 748 Ca 0.59 0.65 0.00 0.00 0.04 0.00 0.00 61.00 62.29 2pwl s PRO 748 Cb -0.10 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.62 2pwl s PRO 748 CO 0.24 -2.18 0.68 0.95 0.04 0.00 0.00 177.00 176.73 2pwl s THR 749 N -3.04 3.86 0.37 1.26 -4.23 -1.26 -4.94 115.64 107.66 2pwl s THR 749 Ca 0.63 -0.51 0.22 0.00 -1.18 0.00 0.00 61.69 60.85 2pwl s THR 749 Cb -0.17 -3.43 0.22 0.00 1.34 0.00 0.00 72.50 70.46 2pwl s THR 749 CO 0.56 -0.30 1.97 -0.26 -0.54 0.00 0.00 174.62 176.04 2pwl h PHE 750 N 0.37 0.00 -0.32 3.99 0.04 -1.93 -1.93 116.94 117.14 2pwl h PHE 750 Ca -0.46 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.30 2pwl h PHE 750 Cb 1.26 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.39 2pwl h PHE 750 CO 0.44 0.21 0.16 -0.22 -0.60 0.00 0.00 178.31 178.30 2pwl h LYS 751 N 0.00 0.46 -0.41 1.51 3.64 -1.93 -1.67 116.57 118.17 2pwl h LYS 751 Ca -0.00 -0.06 -0.12 0.00 -1.27 0.00 0.00 60.65 59.19 2pwl h LYS 751 Cb 0.48 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.20 2pwl h LYS 751 CO 0.03 0.42 -0.22 1.96 -2.27 0.00 0.00 179.45 179.37 2pwl h GLN 752 N 0.39 0.83 -0.72 1.90 4.20 -1.82 -2.51 115.11 117.37 2pwl h GLN 752 Ca 0.11 -0.34 -0.02 0.00 0.06 0.00 0.00 58.65 58.47 2pwl h GLN 752 Cb 0.11 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 27.81 2pwl h GLN 752 CO -0.02 0.96 0.37 -0.07 -0.67 0.00 0.00 178.83 179.41 2pwl h LEU 753 N 0.72 0.92 -0.48 1.46 3.38 -1.15 -0.59 115.31 119.57 2pwl h LEU 753 Ca 0.10 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 2pwl h LEU 753 Cb 0.74 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 2pwl h LEU 753 CO 0.06 0.77 0.29 0.58 0.09 0.00 0.00 178.44 180.23 2pwl h VAL 754 N 1.00 1.15 -0.09 1.22 2.07 -1.18 0.77 116.25 121.18 2pwl h VAL 754 Ca 0.25 -0.34 -0.00 0.00 0.82 0.00 0.00 66.70 67.43 2pwl h VAL 754 Cb 0.08 0.51 -0.00 0.00 -1.52 0.00 0.00 31.29 30.35 2pwl h VAL 754 CO -0.04 0.15 0.05 -0.33 0.02 0.00 0.00 177.57 177.43 2pwl h GLU 755 N 0.64 0.13 -0.51 1.57 5.08 -0.99 0.22 114.58 120.73 2pwl h GLU 755 Ca 0.17 -0.02 -0.08 0.00 -1.00 0.00 0.00 59.36 58.44 2pwl h GLU 755 Cb -0.00 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 2pwl h GLU 755 CO -0.03 0.18 0.01 -0.44 -1.00 0.00 0.00 179.01 177.73 2pwl h ASP 756 N 0.05 0.88 -0.37 1.42 3.32 -1.01 -2.05 116.42 118.66 2pwl h ASP 756 Ca 0.03 -0.30 -0.08 0.00 0.02 0.00 0.00 57.03 56.71 2pwl h ASP 756 Cb 0.08 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.38 2pwl h ASP 756 CO -0.01 0.96 -0.03 -0.07 -1.72 0.00 0.00 179.24 178.38 2pwl h LEU 757 N 0.77 0.74 -0.54 1.55 3.38 -0.71 -0.21 115.31 120.28 2pwl h LEU 757 Ca 0.15 -0.19 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 2pwl h LEU 757 Cb 0.51 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 2pwl h LEU 757 CO 0.02 0.82 0.13 -0.78 0.09 0.00 0.00 178.44 178.72 2pwl h ASP 758 N 0.71 0.82 -0.10 -0.43 3.58 -0.39 0.11 116.42 120.72 2pwl h ASP 758 Ca 0.14 -0.23 -0.00 0.00 0.42 0.00 0.00 57.03 57.35 2pwl h ASP 758 Cb 0.48 -0.22 -0.00 0.00 1.72 0.00 0.00 39.33 41.30 2pwl h ASP 758 CO 0.02 0.84 0.05 -0.09 -2.88 0.00 0.00 179.24 177.19 2pwl h ARG 759 N 0.76 0.14 -0.50 0.28 2.43 -0.94 -0.27 114.38 116.28 2pwl h ARG 759 Ca 0.17 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.27 2pwl h ARG 759 Cb 0.34 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.85 2pwl h ARG 759 CO 0.00 0.19 0.11 0.82 -1.51 0.00 0.00 179.97 179.58 2pwl h ILE 760 N 0.06 1.24 -0.30 1.20 2.04 -0.88 -1.51 117.51 119.36 2pwl h ILE 760 Ca 0.04 -0.88 -0.01 0.00 1.00 0.00 0.00 64.86 65.01 2pwl h ILE 760 Cb 0.09 0.85 -0.01 0.00 -0.74 0.00 0.00 36.82 37.01 2pwl h ILE 760 CO -0.01 0.32 0.16 0.25 0.00 0.00 0.00 178.15 178.87 2pwl h LEU 761 N 0.70 0.38 -1.22 1.44 5.85 -0.68 -0.29 115.31 121.48 2pwl h LEU 761 Ca 0.16 -0.09 0.02 0.00 0.84 0.00 0.00 57.88 58.81 2pwl h LEU 761 Cb 0.35 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.25 2pwl h LEU 761 CO 0.00 0.36 0.53 0.74 -0.34 0.00 0.00 178.44 179.74 2pwl h THR 762 N 0.36 1.17 -0.32 1.05 2.02 -0.88 -1.39 112.91 114.93 2pwl h THR 762 Ca 0.11 -0.36 -0.14 0.00 0.77 0.00 0.00 66.41 66.79 2pwl h THR 762 Cb 0.07 0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 66.50 2pwl h THR 762 CO -0.02 0.19 -0.37 -0.07 0.37 0.00 0.00 175.52 175.63 2pwl h LEU 763 N 1.05 0.77 0.00 2.58 4.07 -0.86 -3.51 115.31 119.40 2pwl h LEU 763 Ca 0.31 -0.33 0.00 0.00 0.08 0.00 0.00 57.88 57.93 2pwl h LEU 763 Cb -0.05 -0.21 0.00 0.00 1.08 0.00 0.00 40.66 41.47 2pwl h LEU 763 CO -0.08 1.05 0.00 0.41 -1.08 0.00 0.00 178.44 178.75