#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cf0 n LEU 464 N 0.00 4.01 -4.50 0.00 7.94 -1.26 -4.99 117.00 118.20 3cf0 n LEU 464 Ca 0.00 1.06 -0.31 0.00 -1.11 0.00 0.00 56.01 55.65 3cf0 n LEU 464 Cb 0.00 -1.58 0.17 0.00 0.53 0.00 0.00 43.42 42.54 3cf0 n LEU 464 CO 0.00 0.19 0.24 -1.14 -1.11 0.00 0.00 177.39 175.57 3cf0 n ARG 465 N 3.98 -0.90 -2.85 1.96 0.63 -1.26 -4.97 116.66 113.25 3cf0 n ARG 465 Ca 0.16 -0.22 -0.42 0.00 -0.92 0.00 0.00 57.85 56.46 3cf0 n ARG 465 Cb 0.35 -2.08 -0.04 0.00 0.45 0.00 0.00 32.46 31.14 3cf0 n ARG 465 CO 0.00 0.00 0.00 -2.00 -2.51 0.00 0.00 177.63 173.12 3cf0 s GLU 466 N -4.11 4.32 -0.07 -0.14 2.56 -1.26 -5.01 118.70 114.97 3cf0 s GLU 466 Ca 0.62 1.09 -0.30 0.00 0.00 0.00 0.00 54.97 56.39 3cf0 s GLU 466 Cb -0.21 -3.57 -0.05 0.00 2.00 0.00 0.00 34.13 32.30 3cf0 s GLU 466 CO 0.63 -0.34 1.56 0.99 -0.56 0.00 0.00 175.26 177.55 3cf0 s THR 467 N 2.17 3.72 -0.32 -1.70 2.01 -1.26 -4.97 115.64 115.28 3cf0 s THR 467 Ca 0.40 0.89 -0.03 0.00 0.31 0.00 0.00 61.69 63.26 3cf0 s THR 467 Cb -0.17 -3.57 0.06 0.00 0.01 0.00 0.00 72.50 68.83 3cf0 s THR 467 CO 0.13 -0.07 0.05 -0.69 -0.69 0.00 0.00 174.62 173.35 3cf0 s VAL 468 N 3.84 3.23 0.52 3.82 1.01 -1.26 -5.08 120.40 126.48 3cf0 s VAL 468 Ca 0.69 -1.41 -0.18 0.00 0.00 0.00 0.00 61.98 61.08 3cf0 s VAL 468 Cb -0.31 -2.90 -0.07 0.00 0.00 0.00 0.00 36.38 33.10 3cf0 s VAL 468 CO 0.26 -0.20 1.03 -0.69 0.00 0.00 0.00 175.10 175.50 3cf0 s VAL 469 N 1.27 3.98 0.20 2.92 1.01 -1.26 -4.50 120.40 124.03 3cf0 s VAL 469 Ca -0.02 1.08 -0.22 0.00 0.00 0.00 0.00 61.98 62.81 3cf0 s VAL 469 Cb -0.20 -3.49 0.05 0.00 0.00 0.00 0.00 36.38 32.74 3cf0 s VAL 469 CO -0.01 -0.42 0.67 -1.83 0.00 0.00 0.00 175.10 173.52 3cf0 s GLU 470 N -3.66 1.47 -0.21 2.72 -1.05 -1.10 -4.97 118.70 111.90 3cf0 s GLU 470 Ca 0.64 -0.69 -0.07 0.00 -0.15 0.00 0.00 54.97 54.70 3cf0 s GLU 470 Cb -0.14 0.59 -0.04 0.00 -0.44 0.00 0.00 34.13 34.10 3cf0 s GLU 470 CO 0.27 -0.66 0.07 0.08 0.95 0.00 0.00 175.26 175.96 3cf0 s VAL 471 N -3.79 4.56 0.03 1.83 1.01 -1.26 -1.50 120.40 121.27 3cf0 s VAL 471 Ca 0.06 -0.10 -0.30 0.00 0.00 0.00 0.00 61.98 61.63 3cf0 s VAL 471 Cb -0.03 -3.09 -0.09 0.00 0.00 0.00 0.00 36.38 33.17 3cf0 s VAL 471 CO -0.04 0.40 1.99 -2.65 0.00 0.00 0.00 175.10 174.79 3cf0 n PRO 472 N 4.21 2.83 0.22 2.72 -0.02 -1.26 -4.87 135.00 138.83 3cf0 n PRO 472 Ca -0.16 1.03 0.10 0.00 -2.02 0.00 0.00 63.50 62.45 3cf0 n PRO 472 Cb 0.52 -3.02 0.46 0.00 -0.02 0.00 0.00 33.50 31.44 3cf0 n PRO 472 CO 0.00 0.00 0.00 -0.56 1.98 0.00 0.00 175.50 176.92 3cf0 h GLN 473 N 10.81 0.00 -5.86 -0.52 -0.00 -1.96 -3.43 115.11 114.15 3cf0 h GLN 473 Ca -0.50 0.00 -0.66 0.00 -0.00 0.00 0.00 58.65 57.49 3cf0 h GLN 473 Cb 1.24 0.00 -0.09 0.00 -0.00 0.00 0.00 27.48 28.63 3cf0 h GLN 473 CO 0.94 0.23 -0.54 0.54 -0.00 0.00 0.00 178.83 180.00 3cf0 s VAL 474 N -3.66 5.02 0.42 1.86 0.11 -1.26 -5.11 120.40 117.78 3cf0 s VAL 474 Ca 0.00 -0.16 0.04 0.00 -2.93 0.00 0.00 61.98 58.93 3cf0 s VAL 474 Cb 0.10 -3.25 -0.04 0.00 -1.53 0.00 0.00 36.38 31.66 3cf0 s VAL 474 CO 0.64 0.46 0.05 0.42 -3.33 0.00 0.00 175.10 173.33 3cf0 s THR 475 N -1.13 1.21 0.52 5.04 -4.23 -1.26 -3.61 115.64 112.18 3cf0 s THR 475 Ca 0.20 -2.00 0.25 0.00 -1.18 0.00 0.00 61.69 58.96 3cf0 s THR 475 Cb -0.12 -2.54 0.40 0.00 1.34 0.00 0.00 72.50 71.58 3cf0 s THR 475 CO 0.10 0.00 1.99 -0.50 -0.54 0.00 0.00 174.62 175.67 3cf0 h TRP 476 N 1.73 0.04 -0.12 3.99 4.06 -1.95 -1.35 115.95 122.35 3cf0 h TRP 476 Ca -0.41 0.00 0.01 0.00 2.06 0.00 0.00 58.89 60.55 3cf0 h TRP 476 Cb 1.27 -0.01 -0.01 0.00 -1.00 0.00 0.00 29.16 29.41 3cf0 h TRP 476 CO 1.13 0.02 0.08 0.93 -3.56 0.00 0.00 178.44 177.04 3cf0 h GLU 477 N 0.04 0.12 -0.00 0.49 5.08 -2.01 -1.98 114.58 116.32 3cf0 h GLU 477 Ca 0.27 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 3cf0 h GLU 477 Cb 1.02 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.24 3cf0 h GLU 477 CO -0.01 0.08 -0.02 -0.25 -1.00 0.00 0.00 179.01 177.80 3cf0 n ASP 478 N -4.52 0.11 -4.36 1.42 9.92 -0.51 -4.65 116.55 113.97 3cf0 n ASP 478 Ca -0.01 -0.42 -0.37 0.00 -0.53 0.00 0.00 54.79 53.46 3cf0 n ASP 478 Cb 0.12 -0.18 -0.12 0.00 -0.64 0.00 0.00 41.12 40.29 3cf0 n ASP 478 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 3cf0 s ILE 479 N -2.43 4.03 -0.03 0.53 1.01 -0.74 -4.69 121.20 118.87 3cf0 s ILE 479 Ca 0.33 -0.65 -0.30 0.00 0.00 0.00 0.00 60.65 60.03 3cf0 s ILE 479 Cb 0.21 -3.07 -0.03 0.00 0.01 0.00 0.00 42.46 39.59 3cf0 s ILE 479 CO 0.44 0.09 0.98 -0.83 0.00 0.00 0.00 174.94 175.62 3cf0 s GLY 480 N 1.51 2.74 0.00 6.18 0.00 -1.26 -4.90 107.32 111.60 3cf0 s GLY 480 Ca 0.03 0.48 0.00 0.00 0.00 0.00 0.00 44.72 45.23 3cf0 s GLY 480 CO 0.03 1.74 0.00 0.61 0.00 0.00 0.00 173.10 175.48 3cf0 n GLY 481 N 2.96 -0.07 3.35 0.20 0.00 -1.26 -4.63 105.19 105.74 3cf0 n GLY 481 Ca 0.07 -0.98 -0.23 0.00 0.00 0.00 0.00 46.02 44.87 3cf0 n GLY 481 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3cf0 n LEU 482 N 0.00 -3.07 -0.06 0.99 4.77 -1.26 -4.92 117.00 113.45 3cf0 n LEU 482 Ca 0.00 -0.43 -0.11 0.00 -0.03 0.00 0.00 56.01 55.44 3cf0 n LEU 482 Cb 0.00 -3.01 -0.05 0.00 -2.33 0.00 0.00 43.42 38.04 3cf0 n LEU 482 CO 0.00 0.46 0.81 -0.33 -1.33 0.00 0.00 177.39 177.00 3cf0 h GLU 483 N -2.11 0.32 -0.81 3.23 4.39 -1.97 -2.04 114.58 115.59 3cf0 h GLU 483 Ca -0.55 -0.08 0.15 0.00 0.34 0.00 0.00 59.36 59.22 3cf0 h GLU 483 Cb 1.37 -0.04 -0.15 0.00 -0.10 0.00 0.00 28.75 29.83 3cf0 h GLU 483 CO 0.57 0.45 -0.26 0.38 -1.16 0.00 0.00 179.01 178.98 3cf0 h ASP 484 N 0.14 -0.97 -0.01 1.42 2.03 -2.00 -1.91 116.42 115.13 3cf0 h ASP 484 Ca 0.06 0.26 -0.20 0.00 -0.73 0.00 0.00 57.03 56.42 3cf0 h ASP 484 Cb 0.27 0.57 0.00 0.00 -0.83 0.00 0.00 39.33 39.35 3cf0 h ASP 484 CO 0.00 -0.28 -0.69 -0.37 -1.03 0.00 0.00 179.24 176.86 3cf0 h VAL 485 N -0.03 1.32 -0.65 4.15 -1.51 -1.87 -1.24 116.25 116.42 3cf0 h VAL 485 Ca 0.36 -1.96 0.10 0.00 -1.23 0.00 0.00 66.70 63.97 3cf0 h VAL 485 Cb 0.60 1.94 -0.07 0.00 -2.13 0.00 0.00 31.29 31.62 3cf0 h VAL 485 CO -0.85 0.61 0.26 0.11 -1.23 0.00 0.00 177.57 176.48 3cf0 h LYS 486 N 0.45 0.44 0.29 5.19 1.57 -1.08 0.48 116.57 123.91 3cf0 h LYS 486 Ca -0.03 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 3cf0 h LYS 486 Cb 1.29 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.50 3cf0 h LYS 486 CO 0.13 0.29 -0.14 -0.09 -0.57 0.00 0.00 179.45 179.08 3cf0 h ARG 487 N 0.46 -0.37 -0.97 3.15 2.43 -1.28 -1.70 114.38 116.09 3cf0 h ARG 487 Ca 0.33 0.03 0.16 0.00 -0.81 0.00 0.00 59.98 59.69 3cf0 h ARG 487 Cb 0.41 0.08 -0.10 0.00 -0.42 0.00 0.00 29.97 29.94 3cf0 h ARG 487 CO -0.31 -0.09 0.57 1.49 -1.51 0.00 0.00 179.97 180.13 3cf0 h GLU 488 N -0.65 0.76 -0.35 0.20 4.22 -0.73 -0.00 114.58 118.02 3cf0 h GLU 488 Ca -0.04 -0.05 -0.08 0.00 0.08 0.00 0.00 59.36 59.28 3cf0 h GLU 488 Cb 0.46 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 3cf0 h GLU 488 CO 0.06 0.50 -0.08 -0.07 -2.18 0.00 0.00 179.01 177.25 3cf0 h LEU 489 N 0.78 0.68 -0.20 1.64 3.38 0.09 -2.38 115.31 119.30 3cf0 h LEU 489 Ca 0.53 -0.36 0.04 0.00 0.09 0.00 0.00 57.88 58.18 3cf0 h LEU 489 Cb 0.75 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.28 3cf0 h LEU 489 CO -0.35 0.88 -0.02 1.56 0.09 0.00 0.00 178.44 180.60 3cf0 h GLN 490 N 0.47 0.04 -0.06 1.13 4.20 -0.55 -1.28 115.11 119.06 3cf0 h GLN 490 Ca 0.09 -0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.82 3cf0 h GLN 490 Cb 0.58 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.35 3cf0 h GLN 490 CO 0.03 0.02 0.24 0.93 -0.67 0.00 0.00 178.83 179.38 3cf0 h GLU 491 N 0.04 0.00 0.00 1.46 5.08 -0.71 -0.07 114.58 120.39 3cf0 h GLU 491 Ca 0.09 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.27 3cf0 h GLU 491 Cb 0.13 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.35 3cf0 h GLU 491 CO -0.18 0.00 -1.57 1.28 -1.00 0.00 0.00 179.01 177.54 3cf0 n LEU 492 N -3.15 0.70 -0.02 1.33 4.77 -0.54 -4.37 117.00 115.73 3cf0 n LEU 492 Ca -0.01 0.31 -0.03 0.00 -0.03 0.00 0.00 56.01 56.25 3cf0 n LEU 492 Cb 0.31 0.12 -0.01 0.00 -2.33 0.00 0.00 43.42 41.50 3cf0 n LEU 492 CO 0.18 0.18 -0.62 1.33 -1.33 0.00 0.00 177.39 177.13 3cf0 n VAL 493 N -2.83 0.20 0.33 4.08 0.24 -0.81 -4.65 118.33 114.89 3cf0 n VAL 493 Ca -0.12 -0.06 -0.13 0.00 -2.04 0.00 0.00 64.34 61.99 3cf0 n VAL 493 Cb 0.86 -1.18 -0.06 0.00 -1.47 0.00 0.00 33.84 31.99 3cf0 n VAL 493 CO 0.00 0.00 0.00 1.56 -2.14 0.00 0.00 176.83 176.25 3cf0 h GLN 494 N -0.08 -0.82 -0.51 7.34 1.08 -1.24 -3.25 115.11 117.62 3cf0 h GLN 494 Ca -0.09 0.06 0.10 0.00 -1.45 0.00 0.00 58.65 57.27 3cf0 h GLN 494 Cb 1.10 0.19 -0.08 0.00 -0.05 0.00 0.00 27.48 28.63 3cf0 h GLN 494 CO -0.04 -0.55 0.03 1.88 -0.95 0.00 0.00 178.83 179.20 3cf0 h TYR 495 N -0.90 0.02 -0.72 2.96 0.99 -1.74 0.39 116.97 117.96 3cf0 h TYR 495 Ca -0.09 0.04 0.03 0.00 2.00 0.00 0.00 58.73 60.71 3cf0 h TYR 495 Cb 0.65 0.07 -0.04 0.00 1.00 0.00 0.00 36.73 38.42 3cf0 h TYR 495 CO 0.07 -0.09 0.48 -1.00 -0.00 0.00 0.00 178.16 177.61 3cf0 h PRO 496 N 0.14 0.87 0.19 4.88 0.13 -1.79 0.10 132.00 136.53 3cf0 h PRO 496 Ca 0.26 -0.05 -0.33 0.00 -0.87 0.00 0.00 66.00 65.01 3cf0 h PRO 496 Cb 0.39 -0.20 0.02 0.00 0.13 0.00 0.00 31.00 31.34 3cf0 h PRO 496 CO -0.41 0.58 -1.60 -0.24 -0.23 0.00 0.00 178.00 176.10 3cf0 h VAL 497 N 0.90 1.06 -0.01 1.56 3.04 -1.30 -3.16 116.25 118.33 3cf0 h VAL 497 Ca 0.28 -2.54 0.00 0.00 -1.01 0.00 0.00 66.70 63.43 3cf0 h VAL 497 Cb 0.02 2.85 0.00 0.00 -2.01 0.00 0.00 31.29 32.15 3cf0 h VAL 497 CO -0.08 0.82 -0.35 -0.62 -1.01 0.00 0.00 177.57 176.33 3cf0 n GLU 498 N -3.70 1.19 -2.66 4.17 1.02 0.13 -4.23 120.64 116.56 3cf0 n GLU 498 Ca -0.22 -0.90 -0.09 0.00 -0.02 0.00 0.00 57.16 55.92 3cf0 n GLU 498 Cb 1.05 -1.48 0.03 0.00 -0.02 0.00 0.00 31.44 31.02 3cf0 n GLU 498 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 3cf0 n HIS 499 N -0.12 1.40 0.15 -0.32 8.25 0.02 -4.93 115.22 119.68 3cf0 n HIS 499 Ca 0.11 -2.69 0.17 0.00 -0.26 0.00 0.00 57.72 55.05 3cf0 n HIS 499 Cb 0.43 -0.33 0.76 0.00 1.12 0.00 0.00 29.99 31.98 3cf0 n HIS 499 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 3cf0 h PRO 500 N 2.87 0.00 -0.48 -0.41 0.11 -1.68 0.24 132.00 132.66 3cf0 h PRO 500 Ca -0.06 0.00 0.07 0.00 0.11 0.00 0.00 66.00 66.12 3cf0 h PRO 500 Cb 1.18 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.23 3cf0 h PRO 500 CO 0.48 0.00 0.15 0.38 -0.21 0.00 0.00 178.00 178.80 3cf0 h ASP 501 N 0.00 0.13 0.28 -2.05 -0.00 -1.91 -1.06 116.42 111.81 3cf0 h ASP 501 Ca 0.12 0.06 -0.10 0.00 -0.00 0.00 0.00 57.03 57.12 3cf0 h ASP 501 Cb 0.58 0.06 -0.01 0.00 -0.00 0.00 0.00 39.33 39.96 3cf0 h ASP 501 CO -0.00 0.10 -0.40 0.11 -0.00 0.00 0.00 179.24 179.05 3cf0 h LYS 502 N 0.31 0.16 -0.11 4.15 6.56 -0.89 0.15 116.57 126.91 3cf0 h LYS 502 Ca 0.23 -0.07 -0.20 0.00 -1.06 0.00 0.00 60.65 59.54 3cf0 h LYS 502 Cb 0.26 -0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.91 3cf0 h LYS 502 CO -0.25 0.54 -0.76 0.74 -2.06 0.00 0.00 179.45 177.65 3cf0 h PHE 503 N 0.13 0.80 -0.19 -1.35 0.04 -1.40 -2.32 116.94 112.66 3cf0 h PHE 503 Ca 0.01 -0.36 -0.15 0.00 2.80 0.00 0.00 57.97 60.27 3cf0 h PHE 503 Cb 0.77 -0.12 -0.01 0.00 2.20 0.00 0.00 35.95 38.79 3cf0 h PHE 503 CO 0.01 1.15 -0.52 -0.07 -0.60 0.00 0.00 178.31 178.28 3cf0 h LEU 504 N 0.40 0.60 0.28 1.54 4.07 -1.05 -0.52 115.31 120.63 3cf0 h LEU 504 Ca -0.04 -0.31 -0.01 0.00 0.08 0.00 0.00 57.88 57.59 3cf0 h LEU 504 Cb 1.36 -0.17 0.00 0.00 1.08 0.00 0.00 40.66 42.94 3cf0 h LEU 504 CO 0.14 1.01 -0.13 0.11 -1.08 0.00 0.00 178.44 178.49 3cf0 h LYS 505 N 0.42 -0.36 -0.00 1.13 1.57 -0.66 -3.06 116.57 115.62 3cf0 h LYS 505 Ca 0.01 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 3cf0 h LYS 505 Cb 1.06 0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.45 3cf0 h LYS 505 CO 0.10 -0.19 -0.22 1.19 -0.57 0.00 0.00 179.45 179.75 3cf0 n PHE 506 N -5.22 0.00 0.00 -1.35 3.72 -0.88 -4.97 117.46 108.76 3cf0 n PHE 506 Ca -0.10 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.30 3cf0 n PHE 506 Cb 0.19 -0.38 0.00 0.00 -0.94 0.00 0.00 39.48 38.35 3cf0 n PHE 506 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3cf0 n GLY 507 N 1.50 2.62 3.56 1.37 0.00 -0.20 -5.01 105.19 109.02 3cf0 n GLY 507 Ca 0.06 -0.60 -0.51 0.00 0.00 0.00 0.00 46.02 44.98 3cf0 n GLY 507 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 3cf0 n MET 508 N 0.00 0.98 -3.79 1.61 0.00 -1.23 -4.73 117.12 109.96 3cf0 n MET 508 Ca 0.00 0.35 -0.32 0.00 0.00 0.00 0.00 57.70 57.73 3cf0 n MET 508 Cb 0.00 -1.86 -0.04 0.00 0.00 0.00 0.00 33.22 31.32 3cf0 n MET 508 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 175.97 176.92 3cf0 s THR 509 N -0.05 5.28 1.17 3.17 -4.23 -1.26 -4.63 115.64 115.09 3cf0 s THR 509 Ca 0.77 -0.12 -0.19 0.00 -1.18 0.00 0.00 61.69 60.97 3cf0 s THR 509 Cb -0.92 -3.61 0.28 0.00 1.34 0.00 0.00 72.50 69.58 3cf0 s THR 509 CO 0.52 0.14 1.16 -2.84 -0.54 0.00 0.00 174.62 173.05 3cf0 s PRO 510 N -2.44 -0.98 0.06 3.99 0.02 -1.26 -5.06 135.00 129.33 3cf0 s PRO 510 Ca 0.36 -0.20 0.01 0.00 0.02 0.00 0.00 61.00 61.19 3cf0 s PRO 510 Cb -0.13 -1.64 -0.04 0.00 0.02 0.00 0.00 34.50 32.72 3cf0 s PRO 510 CO 0.24 -3.53 0.14 -1.54 -0.33 0.00 0.00 177.00 171.99 3cf0 s SER 511 N -4.15 5.94 0.42 2.53 1.04 -1.26 -5.01 113.70 113.20 3cf0 s SER 511 Ca 0.72 0.14 0.22 0.00 0.48 0.00 0.00 55.95 57.52 3cf0 s SER 511 Cb -0.07 -1.73 0.81 0.00 0.10 0.00 0.00 66.02 65.13 3cf0 s SER 511 CO 0.55 0.18 1.78 0.11 0.98 0.00 0.00 173.24 176.85 3cf0 h LYS 512 N 3.29 0.00 -1.99 4.02 1.57 -1.90 -3.49 116.57 118.08 3cf0 h LYS 512 Ca -0.46 0.00 0.39 0.00 -1.87 0.00 0.00 60.65 58.71 3cf0 h LYS 512 Cb 1.16 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 33.40 3cf0 h LYS 512 CO 0.70 0.27 0.99 0.20 -0.57 0.00 0.00 179.45 181.04 3cf0 s GLY 513 N -4.31 -0.20 -0.08 3.86 0.00 -1.23 -2.24 107.32 103.12 3cf0 s GLY 513 Ca 0.01 0.16 -0.12 0.00 0.00 0.00 0.00 44.72 44.77 3cf0 s GLY 513 CO 0.65 6.29 0.30 0.14 0.00 0.00 0.00 173.10 180.49 3cf0 s VAL 514 N -2.01 0.02 -0.23 1.40 1.01 -0.67 -3.40 120.40 116.52 3cf0 s VAL 514 Ca 0.31 -0.18 -0.01 0.00 0.00 0.00 0.00 61.98 62.09 3cf0 s VAL 514 Cb 0.00 -0.49 0.02 0.00 0.00 0.00 0.00 36.38 35.91 3cf0 s VAL 514 CO -0.02 -0.10 -0.08 -0.22 0.00 0.00 0.00 175.10 174.67 3cf0 s LEU 515 N -0.37 2.97 -0.08 3.92 0.20 -0.11 -1.33 118.68 123.88 3cf0 s LEU 515 Ca -0.05 -0.77 -0.23 0.00 0.69 0.00 0.00 54.13 53.77 3cf0 s LEU 515 Cb -0.03 -1.64 -0.04 0.00 -0.43 0.00 0.00 46.19 44.05 3cf0 s LEU 515 CO 0.02 -0.09 0.68 -0.36 -0.29 0.00 0.00 176.35 176.31 3cf0 s PHE 516 N 1.34 3.55 0.12 5.38 2.99 -0.09 -0.46 117.98 130.81 3cf0 s PHE 516 Ca 0.02 1.20 0.06 0.00 0.00 0.00 0.00 56.93 58.20 3cf0 s PHE 516 Cb -0.16 -2.79 -0.04 0.00 0.00 0.00 0.00 43.02 40.03 3cf0 s PHE 516 CO -0.06 0.06 -0.14 1.52 -0.00 0.00 0.00 175.22 176.61 3cf0 s TYR 517 N 0.92 1.36 0.00 0.36 -0.85 -0.50 -1.96 117.35 116.69 3cf0 s TYR 517 Ca 0.36 -0.56 0.00 0.00 -0.52 0.00 0.00 57.07 56.35 3cf0 s TYR 517 Cb -0.17 -0.72 0.00 0.00 0.38 0.00 0.00 41.96 41.45 3cf0 s TYR 517 CO 0.17 0.13 0.00 0.41 -1.52 0.00 0.00 175.55 174.74 3cf0 n GLY 518 N 0.54 2.50 3.59 5.49 0.00 -1.11 -1.33 105.19 114.86 3cf0 n GLY 518 Ca -0.16 -0.95 -0.29 0.00 0.00 0.00 0.00 46.02 44.62 3cf0 n GLY 518 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3cf0 s PRO 519 N -2.00 0.08 0.15 1.61 0.04 -1.26 -4.02 135.00 129.61 3cf0 s PRO 519 Ca 0.00 1.05 -0.30 0.00 0.04 0.00 0.00 61.00 61.79 3cf0 s PRO 519 Cb 0.00 -1.65 -0.07 0.00 0.04 0.00 0.00 34.50 32.81 3cf0 s PRO 519 CO 0.00 -3.11 1.17 -2.14 0.04 0.00 0.00 177.00 172.96 3cf0 s PRO 520 N -4.61 4.50 0.00 0.56 0.02 -1.26 -4.17 135.00 130.03 3cf0 s PRO 520 Ca 0.67 1.81 0.00 0.00 0.02 0.00 0.00 61.00 63.50 3cf0 s PRO 520 Cb -0.23 -3.28 0.00 0.00 0.02 0.00 0.00 34.50 31.02 3cf0 s PRO 520 CO 0.61 -0.09 0.00 0.41 -0.33 0.00 0.00 177.00 177.60 3cf0 n GLY 521 N 2.41 1.05 0.00 0.52 0.00 -1.26 -4.83 105.19 103.09 3cf0 n GLY 521 Ca 0.05 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.89 3cf0 n GLY 521 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cf0 n GLY 523 N -0.12 1.16 0.34 0.00 0.00 -1.26 -4.88 105.19 100.43 3cf0 n GLY 523 Ca 0.00 -0.02 0.01 0.00 0.00 0.00 0.00 46.02 46.01 3cf0 n GLY 523 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3cf0 h LYS 524 N 0.00 0.92 -0.04 1.61 1.57 -1.94 0.55 116.57 119.24 3cf0 h LYS 524 Ca 0.00 -0.07 -0.19 0.00 -1.87 0.00 0.00 60.65 58.52 3cf0 h LYS 524 Cb 0.00 -0.20 0.01 0.00 0.08 0.00 0.00 32.23 32.13 3cf0 h LYS 524 CO 0.00 0.63 -0.71 1.15 -0.57 0.00 0.00 179.45 179.95 3cf0 h THR 525 N 0.94 1.36 -0.14 -0.16 2.02 -1.99 -2.42 112.91 112.51 3cf0 h THR 525 Ca 0.25 -2.05 0.04 0.00 0.77 0.00 0.00 66.41 65.42 3cf0 h THR 525 Cb -0.06 2.37 -0.04 0.00 -1.74 0.00 0.00 68.15 68.68 3cf0 h THR 525 CO -0.05 0.62 -0.09 -0.07 0.37 0.00 0.00 175.52 176.30 3cf0 h LEU 526 N 0.15 -0.29 -0.97 2.58 3.38 -1.85 -0.02 115.31 118.29 3cf0 h LEU 526 Ca -0.08 0.07 0.13 0.00 0.09 0.00 0.00 57.88 58.09 3cf0 h LEU 526 Cb 1.38 0.16 -0.09 0.00 0.09 0.00 0.00 40.66 42.20 3cf0 h LEU 526 CO 0.14 -0.12 0.59 -0.07 0.09 0.00 0.00 178.44 179.07 3cf0 h LEU 527 N -0.09 0.85 -0.87 1.67 3.38 -0.96 0.32 115.31 119.61 3cf0 h LEU 527 Ca 0.09 0.06 -0.11 0.00 0.09 0.00 0.00 57.88 58.00 3cf0 h LEU 527 Cb 0.22 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 3cf0 h LEU 527 CO -0.20 0.43 -0.38 0.00 0.09 0.00 0.00 178.44 178.38 3cf0 h ALA 528 N 1.54 1.04 0.00 1.53 0.00 -0.56 -2.31 119.26 120.49 3cf0 h ALA 528 Ca 0.49 -0.41 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 3cf0 h ALA 528 Cb 0.54 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3cf0 h ALA 528 CO -0.29 0.60 -0.32 0.87 0.00 0.00 0.00 179.25 180.12 3cf0 h LYS 529 N 0.31 0.00 -0.57 0.00 1.57 -0.10 -2.97 116.57 114.81 3cf0 h LYS 529 Ca 0.03 0.00 0.12 0.00 -1.87 0.00 0.00 60.65 58.93 3cf0 h LYS 529 Cb 0.82 0.00 -0.10 0.00 0.08 0.00 0.00 32.23 33.03 3cf0 h LYS 529 CO 0.07 0.92 -0.04 0.00 -0.57 0.00 0.00 179.45 179.83 3cf0 h ALA 530 N -0.20 0.50 -0.45 3.86 0.00 -0.45 0.21 119.26 122.74 3cf0 h ALA 530 Ca -0.08 0.19 0.06 0.00 0.00 0.00 0.00 54.91 55.07 3cf0 h ALA 530 Cb 1.01 0.34 -0.05 0.00 0.00 0.00 0.00 17.79 19.09 3cf0 h ALA 530 CO -0.05 -0.41 0.16 0.97 0.00 0.00 0.00 179.25 179.92 3cf0 h ILE 531 N 0.08 0.86 -0.76 0.00 6.09 -1.53 0.27 117.51 122.53 3cf0 h ILE 531 Ca 0.29 -0.12 0.04 0.00 -1.37 0.00 0.00 64.86 63.71 3cf0 h ILE 531 Cb 0.46 0.50 -0.05 0.00 0.47 0.00 0.00 36.82 38.20 3cf0 h ILE 531 CO -0.52 0.06 0.47 0.00 -3.07 0.00 0.00 178.15 175.09 3cf0 h ALA 532 N 1.29 1.01 -0.25 0.18 0.00 -0.95 -1.63 119.26 118.90 3cf0 h ALA 532 Ca 0.21 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.98 3cf0 h ALA 532 Cb 0.20 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3cf0 h ALA 532 CO -0.21 0.23 -0.35 -0.97 0.00 0.00 0.00 179.25 177.95 3cf0 h ASN 533 N 0.89 0.58 0.05 0.00 -1.24 0.22 0.10 115.58 116.19 3cf0 h ASN 533 Ca 0.32 -0.24 -0.00 0.00 0.71 0.00 0.00 56.30 57.09 3cf0 h ASN 533 Cb 0.08 -0.16 0.00 0.00 0.73 0.00 0.00 38.32 38.97 3cf0 h ASN 533 CO -0.14 0.88 -0.03 -0.08 -1.29 0.00 0.00 177.43 176.78 3cf0 h GLU 534 N 0.47 -0.07 0.00 6.67 4.57 -0.29 -0.72 114.58 125.21 3cf0 h GLU 534 Ca 0.05 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.23 3cf0 h GLU 534 Cb 0.83 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.44 3cf0 h GLU 534 CO 0.07 0.06 0.00 0.00 -1.18 0.00 0.00 179.01 177.96 3cf0 n GLN 536 N -0.57 -1.26 -4.45 0.00 1.13 -0.28 -4.95 117.38 107.00 3cf0 n GLN 536 Ca 0.01 0.17 -0.25 0.00 -1.94 0.00 0.00 57.00 54.99 3cf0 n GLN 536 Cb 0.01 -3.55 -0.10 0.00 0.11 0.00 0.00 30.24 26.71 3cf0 n GLN 536 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3cf0 s ALA 537 N -4.05 3.02 0.67 -1.58 0.00 0.33 -5.00 121.76 115.15 3cf0 s ALA 537 Ca 0.14 -1.99 -0.12 0.00 0.00 0.00 0.00 51.96 49.99 3cf0 s ALA 537 Cb -0.07 -0.23 -0.00 0.00 0.00 0.00 0.00 23.12 22.82 3cf0 s ALA 537 CO 0.96 0.12 1.06 -0.80 0.00 0.00 0.00 175.76 177.10 3cf0 s ASN 538 N -3.63 5.49 -0.08 0.00 0.01 -0.44 -4.51 114.94 111.79 3cf0 s ASN 538 Ca 0.33 1.66 -0.01 0.00 -0.71 0.00 0.00 52.86 54.12 3cf0 s ASN 538 Cb -0.00 -2.50 0.03 0.00 0.41 0.00 0.00 41.25 39.18 3cf0 s ASN 538 CO 0.17 -1.37 -0.01 0.12 -1.51 0.00 0.00 177.10 174.51 3cf0 s PHE 539 N -2.91 0.76 -0.14 2.20 5.36 -0.56 -0.56 117.98 122.13 3cf0 s PHE 539 Ca 0.59 -0.23 -0.04 0.00 -0.96 0.00 0.00 56.93 56.30 3cf0 s PHE 539 Cb -0.14 -0.85 -0.03 0.00 -0.34 0.00 0.00 43.02 41.66 3cf0 s PHE 539 CO 0.51 -0.35 -0.00 0.42 -1.46 0.00 0.00 175.22 174.33 3cf0 s ILE 540 N 1.94 4.22 -0.24 3.12 1.01 0.08 -2.72 121.20 128.61 3cf0 s ILE 540 Ca 0.05 -0.26 0.01 0.00 0.00 0.00 0.00 60.65 60.46 3cf0 s ILE 540 Cb -0.12 -2.83 0.04 0.00 0.01 0.00 0.00 42.46 39.56 3cf0 s ILE 540 CO -0.06 0.53 -0.12 -0.55 0.00 0.00 0.00 174.94 174.75 3cf0 s SER 541 N -0.08 4.12 -0.23 3.58 0.15 -1.26 -0.60 113.70 119.37 3cf0 s SER 541 Ca 0.03 -1.10 -0.10 0.00 0.70 0.00 0.00 55.95 55.48 3cf0 s SER 541 Cb -0.13 -1.57 -0.05 0.00 -1.71 0.00 0.00 66.02 62.57 3cf0 s SER 541 CO 0.02 -0.13 0.16 -0.63 1.20 0.00 0.00 173.24 173.85 3cf0 s ILE 542 N 1.20 5.36 0.14 6.45 1.09 -0.08 -4.93 121.20 130.43 3cf0 s ILE 542 Ca -0.03 0.19 0.02 0.00 -1.10 0.00 0.00 60.65 59.72 3cf0 s ILE 542 Cb -0.18 -3.50 0.02 0.00 -1.06 0.00 0.00 42.46 37.74 3cf0 s ILE 542 CO -0.07 0.36 0.16 0.29 -0.10 0.00 0.00 174.94 175.58 3cf0 n LYS 543 N 4.19 1.07 0.32 2.79 5.02 -1.26 -1.34 118.16 128.94 3cf0 n LYS 543 Ca -0.15 -0.79 -0.17 0.00 -2.02 0.00 0.00 58.31 55.18 3cf0 n LYS 543 Cb 0.52 0.00 -0.09 0.00 -0.02 0.00 0.00 35.03 35.45 3cf0 n LYS 543 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 3cf0 h GLY 544 N 0.08 -0.80 1.27 0.72 0.00 -1.81 -2.44 103.07 100.08 3cf0 h GLY 544 Ca -0.07 0.30 0.04 0.00 0.00 0.00 0.00 47.33 47.59 3cf0 h GLY 544 CO 0.11 -0.29 0.40 -2.55 0.00 0.00 0.00 176.54 174.21 3cf0 h PRO 545 N -0.83 0.66 0.42 4.80 0.11 -1.94 0.16 132.00 135.38 3cf0 h PRO 545 Ca -0.08 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.97 3cf0 h PRO 545 Cb 0.61 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.58 3cf0 h PRO 545 CO 0.13 0.43 -0.20 1.49 -0.21 0.00 0.00 178.00 179.64 3cf0 h GLU 546 N 0.68 -0.54 -0.74 1.05 4.81 -1.92 0.84 114.58 118.76 3cf0 h GLU 546 Ca 0.25 0.04 0.15 0.00 -0.13 0.00 0.00 59.36 59.66 3cf0 h GLU 546 Cb 0.13 0.12 -0.10 0.00 0.63 0.00 0.00 28.75 29.53 3cf0 h GLU 546 CO -0.07 -0.32 0.25 -0.07 -0.73 0.00 0.00 179.01 178.07 3cf0 h LEU 547 N -0.64 0.16 -1.18 1.64 3.38 -0.84 -1.84 115.31 116.01 3cf0 h LEU 547 Ca -0.06 0.12 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 3cf0 h LEU 547 Cb 0.47 0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 3cf0 h LEU 547 CO 0.09 0.04 -0.01 -0.07 0.09 0.00 0.00 178.44 178.58 3cf0 h LEU 548 N 0.36 0.52 -0.38 1.67 3.38 -0.46 -0.87 115.31 119.54 3cf0 h LEU 548 Ca 0.41 -0.10 0.01 0.00 0.09 0.00 0.00 57.88 58.29 3cf0 h LEU 548 Cb 0.66 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 3cf0 h LEU 548 CO -0.45 0.60 0.23 0.74 0.09 0.00 0.00 178.44 179.66 3cf0 h THR 549 N 0.53 1.05 0.00 0.22 2.02 -0.03 0.57 112.91 117.27 3cf0 h THR 549 Ca 0.11 -0.16 -0.05 0.00 0.77 0.00 0.00 66.41 67.09 3cf0 h THR 549 Cb 0.36 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 67.31 3cf0 h THR 549 CO 0.01 0.08 -0.22 0.24 0.37 0.00 0.00 175.52 176.01 3cf0 h MET 550 N 0.47 0.00 0.20 6.66 2.86 -0.76 0.14 114.93 124.49 3cf0 h MET 550 Ca 0.15 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.78 3cf0 h MET 550 Cb -0.01 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.66 3cf0 h MET 550 CO -0.06 0.22 -0.10 2.35 1.06 0.00 0.00 176.91 180.38 3cf0 h TRP 551 N 0.00 -0.25 -0.67 -0.22 7.01 -0.04 -0.25 115.95 121.53 3cf0 h TRP 551 Ca -0.00 -0.01 0.04 0.00 2.11 0.00 0.00 58.89 61.03 3cf0 h TRP 551 Cb 0.41 0.08 -0.04 0.00 -2.10 0.00 0.00 29.16 27.51 3cf0 h TRP 551 CO 0.00 0.15 0.41 0.74 -2.79 0.00 0.00 178.44 176.95 3cf0 h PHE 552 N -0.88 0.77 -0.04 2.65 0.04 0.16 -2.80 116.94 116.84 3cf0 h PHE 552 Ca -0.03 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.77 3cf0 h PHE 552 Cb 0.51 -0.25 0.00 0.00 2.20 0.00 0.00 35.95 38.41 3cf0 h PHE 552 CO 0.07 0.43 0.00 0.41 -0.60 0.00 0.00 178.31 178.62 3cf0 n GLY 553 N -1.28 -0.21 2.43 -1.45 0.00 0.03 -4.91 105.19 99.80 3cf0 n GLY 553 Ca 0.07 -0.37 -0.20 0.00 0.00 0.00 0.00 46.02 45.52 3cf0 n GLY 553 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3cf0 n GLU 554 N -0.09 -1.67 -2.61 1.61 1.02 -0.24 -4.89 120.64 113.78 3cf0 n GLU 554 Ca 0.19 1.03 -0.35 0.00 -0.02 0.00 0.00 57.16 58.01 3cf0 n GLU 554 Cb 0.29 -5.63 0.00 0.00 -0.02 0.00 0.00 31.44 26.08 3cf0 n GLU 554 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 3cf0 n SER 555 N -1.86 6.30 0.09 1.62 3.41 -0.41 -4.72 113.62 118.06 3cf0 n SER 555 Ca -0.23 -3.71 0.13 0.00 -0.26 0.00 0.00 58.87 54.79 3cf0 n SER 555 Cb 0.68 -0.91 0.44 0.00 -0.26 0.00 0.00 64.21 64.16 3cf0 n SER 555 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 3cf0 n GLU 556 N -0.23 0.22 -0.07 4.33 0.00 -1.26 -2.71 120.64 120.92 3cf0 n GLU 556 Ca 0.43 0.22 0.22 0.00 0.00 0.00 0.00 57.16 58.03 3cf0 n GLU 556 Cb 0.33 -1.77 0.69 0.00 0.00 0.00 0.00 31.44 30.68 3cf0 n GLU 556 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3cf0 h ALA 557 N 2.54 2.58 0.00 -1.84 0.00 -1.95 0.12 119.26 120.71 3cf0 h ALA 557 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3cf0 h ALA 557 Cb 0.64 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.47 3cf0 h ALA 557 CO 0.00 -0.77 0.05 0.09 0.00 0.00 0.00 179.25 178.62 3cf0 n ASN 558 N -4.35 0.05 0.03 0.00 4.13 -1.10 -1.52 115.26 112.49 3cf0 n ASN 558 Ca 0.13 0.48 -0.07 0.00 1.68 0.00 0.00 54.58 56.79 3cf0 n ASN 558 Cb 0.71 -0.48 0.10 0.00 -1.54 0.00 0.00 39.78 38.56 3cf0 n ASN 558 CO 0.00 0.00 0.00 0.58 0.28 0.00 0.00 177.26 178.12 3cf0 h VAL 559 N 0.00 1.33 -0.22 2.41 2.07 -1.01 -2.43 116.25 118.41 3cf0 h VAL 559 Ca 0.00 -1.78 0.06 0.00 0.82 0.00 0.00 66.70 65.80 3cf0 h VAL 559 Cb 0.09 1.78 -0.07 0.00 -1.52 0.00 0.00 31.29 31.57 3cf0 h VAL 559 CO 0.00 0.54 -0.30 -0.09 0.02 0.00 0.00 177.57 177.74 3cf0 h ARG 560 N 0.35 -0.31 -0.33 1.57 2.43 -1.46 -0.73 114.38 115.90 3cf0 h ARG 560 Ca 0.01 0.02 0.06 0.00 -0.81 0.00 0.00 59.98 59.27 3cf0 h ARG 560 Cb 1.04 0.07 -0.06 0.00 -0.42 0.00 0.00 29.97 30.60 3cf0 h ARG 560 CO 0.09 -0.21 -0.04 1.49 -1.51 0.00 0.00 179.97 179.80 3cf0 h GLU 561 N -0.32 0.05 -0.46 0.20 4.22 -1.57 0.02 114.58 116.70 3cf0 h GLU 561 Ca 0.12 -0.00 0.06 0.00 0.08 0.00 0.00 59.36 59.62 3cf0 h GLU 561 Cb 0.52 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.71 3cf0 h GLU 561 CO -0.40 0.03 0.15 0.82 -2.18 0.00 0.00 179.01 177.43 3cf0 h ILE 562 N 0.05 0.83 -0.50 2.32 2.04 -1.11 -0.07 117.51 121.07 3cf0 h ILE 562 Ca 0.16 -0.11 -0.05 0.00 1.00 0.00 0.00 64.86 65.86 3cf0 h ILE 562 Cb 0.23 0.48 -0.02 0.00 -0.74 0.00 0.00 36.82 36.78 3cf0 h ILE 562 CO -0.30 0.06 0.12 -0.26 0.00 0.00 0.00 178.15 177.77 3cf0 h PHE 563 N 0.32 0.84 -0.24 1.37 0.04 -0.35 -1.76 116.94 117.17 3cf0 h PHE 563 Ca 0.22 -0.10 0.04 0.00 2.80 0.00 0.00 57.97 60.93 3cf0 h PHE 563 Cb 0.24 -0.24 -0.07 0.00 2.20 0.00 0.00 35.95 38.08 3cf0 h PHE 563 CO -0.17 0.75 -0.52 -0.44 -0.60 0.00 0.00 178.31 177.33 3cf0 h ASP 564 N 0.69 -1.67 -0.37 2.17 3.45 -0.60 0.15 116.42 120.25 3cf0 h ASP 564 Ca 0.16 0.21 0.11 0.00 0.43 0.00 0.00 57.03 57.94 3cf0 h ASP 564 Cb 0.33 0.67 -0.01 0.00 -0.56 0.00 0.00 39.33 39.76 3cf0 h ASP 564 CO 0.00 -0.44 0.29 0.50 -1.57 0.00 0.00 179.24 178.02 3cf0 h LYS 565 N -0.49 0.00 0.07 3.56 3.64 -0.74 0.26 116.57 122.87 3cf0 h LYS 565 Ca 0.06 0.00 -0.18 0.00 -1.27 0.00 0.00 60.65 59.26 3cf0 h LYS 565 Cb 0.64 0.00 0.02 0.00 -0.41 0.00 0.00 32.23 32.48 3cf0 h LYS 565 CO -0.49 0.00 -0.75 0.00 -2.27 0.00 0.00 179.45 175.93 3cf0 h ALA 566 N 1.77 -0.00 -0.19 5.00 0.00 -0.71 -2.38 119.26 122.75 3cf0 h ALA 566 Ca 0.18 -0.64 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3cf0 h ALA 566 Cb 0.75 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 3cf0 h ALA 566 CO -0.00 0.40 0.12 -0.09 0.00 0.00 0.00 179.25 179.68 3cf0 h ARG 567 N -0.17 0.26 0.00 0.00 2.43 0.39 -1.48 114.38 115.81 3cf0 h ARG 567 Ca -0.11 -0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 58.98 3cf0 h ARG 567 Cb 1.51 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.99 3cf0 h ARG 567 CO 0.15 0.19 -0.28 0.37 -1.51 0.00 0.00 179.97 178.89 3cf0 h GLN 568 N 0.25 0.00 -0.54 0.20 -0.00 -0.65 -2.64 115.11 111.73 3cf0 h GLN 568 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.72 3cf0 h GLN 568 Cb -0.01 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.47 3cf0 h GLN 568 CO -0.01 0.28 0.00 0.00 0.00 0.00 0.00 178.83 179.10 3cf0 n ALA 569 N -2.47 2.65 -1.73 3.38 0.00 -0.67 -4.97 120.51 116.69 3cf0 n ALA 569 Ca -0.02 -0.93 -0.42 0.00 0.00 0.00 0.00 53.44 52.07 3cf0 n ALA 569 Cb 0.33 -0.99 -0.00 0.00 0.00 0.00 0.00 19.45 18.79 3cf0 n ALA 569 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3cf0 n ALA 570 N 0.79 1.73 -2.26 0.00 0.00 -0.65 -4.21 120.51 115.91 3cf0 n ALA 570 Ca 0.16 0.35 -0.42 0.00 0.00 0.00 0.00 53.44 53.54 3cf0 n ALA 570 Cb 0.51 -2.32 -0.03 0.00 0.00 0.00 0.00 19.45 17.60 3cf0 n ALA 570 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 3cf0 s PRO 571 N -1.94 4.48 -0.06 0.00 0.02 -1.26 -5.00 135.00 131.23 3cf0 s PRO 571 Ca 0.55 1.79 -0.03 0.00 0.02 0.00 0.00 61.00 63.33 3cf0 s PRO 571 Cb -0.53 -3.31 0.04 0.00 0.02 0.00 0.00 34.50 30.72 3cf0 s PRO 571 CO 0.63 -0.15 0.13 0.00 -0.33 0.00 0.00 177.00 177.28 3cf0 s VAL 573 N 1.10 5.08 -0.27 0.00 -7.23 0.28 -0.50 120.40 118.86 3cf0 s VAL 573 Ca -0.09 0.76 -0.18 0.00 -1.81 0.00 0.00 61.98 60.66 3cf0 s VAL 573 Cb -0.11 -3.82 -0.02 0.00 0.56 0.00 0.00 36.38 32.99 3cf0 s VAL 573 CO -0.05 0.06 0.53 -0.22 -0.31 0.00 0.00 175.10 175.11 3cf0 s LEU 574 N 2.28 4.07 -0.21 1.32 2.96 -0.27 -0.74 118.68 128.09 3cf0 s LEU 574 Ca 0.20 0.50 0.01 0.00 -0.22 0.00 0.00 54.13 54.62 3cf0 s LEU 574 Cb -0.16 -2.68 0.05 0.00 0.50 0.00 0.00 46.19 43.90 3cf0 s LEU 574 CO 0.10 -0.31 -0.09 0.12 -1.32 0.00 0.00 176.35 174.85 3cf0 s PHE 575 N 2.34 2.50 -0.67 5.38 5.36 0.23 -0.71 117.98 132.41 3cf0 s PHE 575 Ca 0.22 -1.71 -0.19 0.00 -0.96 0.00 0.00 56.93 54.29 3cf0 s PHE 575 Cb -0.16 -1.65 0.12 0.00 -0.34 0.00 0.00 43.02 40.99 3cf0 s PHE 575 CO 0.09 -0.77 0.79 -0.06 -1.46 0.00 0.00 175.22 173.82 3cf0 s PHE 576 N 1.37 3.08 0.54 10.12 0.40 0.11 -0.90 117.98 132.70 3cf0 s PHE 576 Ca -0.03 -1.11 -0.08 0.00 -0.60 0.00 0.00 56.93 55.11 3cf0 s PHE 576 Cb -0.17 -4.05 -0.04 0.00 0.51 0.00 0.00 43.02 39.27 3cf0 s PHE 576 CO -0.07 -1.32 0.90 0.34 0.70 0.00 0.00 175.22 175.77 3cf0 s ASP 577 N 3.48 6.26 -1.47 1.36 2.15 -0.45 -1.73 116.67 126.27 3cf0 s ASP 577 Ca 0.16 1.17 -0.12 0.00 0.43 0.00 0.00 52.55 54.19 3cf0 s ASP 577 Cb -0.19 -2.35 0.06 0.00 -0.30 0.00 0.00 42.92 40.13 3cf0 s ASP 577 CO 0.03 -0.71 1.01 -0.62 -0.17 0.00 0.00 175.17 174.71 3cf0 n GLU 578 N -2.45 -6.23 -0.02 4.34 1.02 -1.03 -3.87 120.64 112.39 3cf0 n GLU 578 Ca 0.03 0.69 0.22 0.00 -0.02 0.00 0.00 57.16 58.08 3cf0 n GLU 578 Cb 0.55 -5.63 0.49 0.00 -0.02 0.00 0.00 31.44 26.83 3cf0 n GLU 578 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 3cf0 h LEU 579 N -2.21 0.00 -1.87 -4.62 3.38 -1.45 -1.93 115.31 106.61 3cf0 h LEU 579 Ca -0.57 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.40 3cf0 h LEU 579 Cb 1.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.12 3cf0 h LEU 579 CO 0.62 0.00 0.00 -0.90 0.09 0.00 0.00 178.44 178.25 3cf0 n ASP 580 N -3.24 2.80 0.08 -0.43 5.75 -1.26 -4.54 116.55 115.71 3cf0 n ASP 580 Ca 0.14 -1.90 -0.06 0.00 -0.01 0.00 0.00 54.79 52.96 3cf0 n ASP 580 Cb 1.14 -0.21 0.09 0.00 -1.03 0.00 0.00 41.12 41.10 3cf0 n ASP 580 CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 3cf0 h SER 581 N 3.58 0.27 -0.58 -1.12 4.64 -1.72 -0.61 113.55 118.00 3cf0 h SER 581 Ca 0.00 -0.17 -0.07 0.00 -0.47 0.00 0.00 61.79 61.08 3cf0 h SER 581 Cb 0.79 -0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 62.78 3cf0 h SER 581 CO 0.00 0.86 0.09 0.40 -0.87 0.00 0.00 176.83 177.31 3cf0 h ILE 582 N 0.16 1.26 0.27 0.95 2.04 -1.84 -0.92 117.51 119.43 3cf0 h ILE 582 Ca -0.02 -1.00 0.01 0.00 1.00 0.00 0.00 64.86 64.85 3cf0 h ILE 582 Cb 1.22 0.77 -0.04 0.00 -0.74 0.00 0.00 36.82 38.03 3cf0 h ILE 582 CO 0.10 0.36 -0.45 0.00 0.00 0.00 0.00 178.15 178.17 3cf0 h ALA 583 N 1.01 -0.89 -0.69 1.87 0.00 -1.70 0.93 119.26 119.78 3cf0 h ALA 583 Ca 0.18 -0.12 0.13 0.00 0.00 0.00 0.00 54.91 55.10 3cf0 h ALA 583 Cb 0.43 0.71 -0.13 0.00 0.00 0.00 0.00 17.79 18.79 3cf0 h ALA 583 CO 0.01 -1.06 -0.25 0.87 0.00 0.00 0.00 179.25 178.83 3cf0 h LYS 584 N -0.78 -0.06 -0.38 0.00 1.57 -1.17 0.67 116.57 116.41 3cf0 h LYS 584 Ca -0.01 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.81 3cf0 h LYS 584 Cb 0.75 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.05 3cf0 h LYS 584 CO -0.17 -0.04 0.26 0.00 -0.57 0.00 0.00 179.45 178.92 3cf0 h ALA 585 N 1.43 1.88 -0.28 3.86 0.00 0.25 -0.51 119.26 125.90 3cf0 h ALA 585 Ca 0.30 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.20 3cf0 h ALA 585 Cb 0.54 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3cf0 h ALA 585 CO -0.73 0.07 0.00 2.89 0.00 0.00 0.00 179.25 181.47 3cf0 n ARG 586 N -4.48 1.92 0.00 0.00 1.85 0.18 -4.89 116.66 111.24 3cf0 n ARG 586 Ca 0.04 -1.40 0.00 0.00 -1.00 0.00 0.00 57.85 55.49 3cf0 n ARG 586 Cb 0.17 -1.39 0.00 0.00 -1.05 0.00 0.00 32.46 30.19 3cf0 n ARG 586 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3cf0 n GLY 587 N 1.20 1.25 7.00 2.89 0.00 -0.20 -3.38 105.19 113.95 3cf0 n GLY 587 Ca 0.16 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.14 3cf0 n GLY 587 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cf0 n GLY 588 N 0.00 2.54 0.35 -0.02 0.00 0.16 -3.53 105.19 104.68 3cf0 n GLY 588 Ca 0.00 -0.29 -0.01 0.00 0.00 0.00 0.00 46.02 45.72 3cf0 n GLY 588 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3cf0 n ASN 589 N 7.25 -0.58 -0.06 1.61 3.02 -1.26 -2.82 115.26 122.42 3cf0 n ASN 589 Ca 0.00 1.58 -0.02 0.00 -0.03 0.00 0.00 54.58 56.11 3cf0 n ASN 589 Cb 0.00 -0.37 -0.01 0.00 -0.61 0.00 0.00 39.78 38.79 3cf0 n ASN 589 CO 0.00 0.00 0.00 0.16 -2.62 0.00 0.00 177.26 174.80 3cf0 h ILE 590 N 0.00 0.15 0.00 2.41 3.07 -1.99 -3.51 117.51 117.64 3cf0 h ILE 590 Ca 0.32 -1.12 0.00 0.00 1.55 0.00 0.00 64.86 65.61 3cf0 h ILE 590 Cb 0.55 0.29 0.00 0.00 -0.27 0.00 0.00 36.82 37.39 3cf0 h ILE 590 CO -0.90 0.05 0.00 0.61 -1.05 0.00 0.00 178.15 176.86 3cf0 n GLY 591 N 1.73 -1.79 0.00 0.16 0.00 -1.13 -5.02 105.19 99.13 3cf0 n GLY 591 Ca -0.03 -1.88 0.00 0.00 0.00 0.00 0.00 46.02 44.11 3cf0 n GLY 591 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3cf0 n ASP 592 N 0.26 0.35 0.39 1.61 5.75 -1.22 -4.78 116.55 118.92 3cf0 n ASP 592 Ca 0.00 0.00 -0.18 0.00 -0.01 0.00 0.00 54.79 54.60 3cf0 n ASP 592 Cb 0.00 0.00 -0.09 0.00 -1.03 0.00 0.00 41.12 40.00 3cf0 n ASP 592 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 3cf0 h GLY 593 N 0.00 -1.05 -0.43 6.12 0.00 -1.95 -3.47 103.07 102.29 3cf0 h GLY 593 Ca 0.00 0.40 -0.21 0.00 0.00 0.00 0.00 47.33 47.52 3cf0 h GLY 593 CO 0.00 -0.38 0.20 0.61 0.00 0.00 0.00 176.54 176.97 3cf0 n GLY 594 N -1.52 -1.40 0.00 4.60 0.00 -1.26 -5.09 105.19 100.52 3cf0 n GLY 594 Ca -0.14 -1.68 0.00 0.00 0.00 0.00 0.00 46.02 44.20 3cf0 n GLY 594 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cf0 n GLY 595 N 0.59 -0.84 0.24 -0.02 0.00 -1.26 -4.95 105.19 98.94 3cf0 n GLY 595 Ca 0.08 -1.68 0.16 0.00 0.00 0.00 0.00 46.02 44.58 3cf0 n GLY 595 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cf0 h ALA 596 N -1.90 1.00 -2.98 4.61 0.00 -1.96 -3.44 119.26 114.59 3cf0 h ALA 596 Ca 0.00 0.00 -0.54 0.00 0.00 0.00 0.00 54.91 54.37 3cf0 h ALA 596 Cb 0.00 0.00 0.12 0.00 0.00 0.00 0.00 17.79 17.91 3cf0 h ALA 596 CO 0.00 0.00 0.69 0.00 0.00 0.00 0.00 179.25 179.94 3cf0 s ALA 597 N -3.52 3.20 0.02 0.00 0.00 -1.26 -4.55 121.76 115.66 3cf0 s ALA 597 Ca 0.03 1.45 -0.16 0.00 0.00 0.00 0.00 51.96 53.27 3cf0 s ALA 597 Cb 0.08 -3.59 0.03 0.00 0.00 0.00 0.00 23.12 19.65 3cf0 s ALA 597 CO 0.55 -1.21 0.36 0.16 0.00 0.00 0.00 175.76 175.63 3cf0 s ASP 598 N -0.56 -0.23 0.25 0.00 1.47 -1.26 -5.05 116.67 111.30 3cf0 s ASP 598 Ca 0.62 -0.00 -0.05 0.00 1.18 0.00 0.00 52.55 54.29 3cf0 s ASP 598 Cb -0.43 0.38 0.31 0.00 -0.34 0.00 0.00 42.92 42.84 3cf0 s ASP 598 CO 0.55 -0.59 1.89 0.08 0.68 0.00 0.00 175.17 177.78 3cf0 h ARG 599 N 3.30 1.12 0.01 2.11 0.11 -1.98 0.11 114.38 119.17 3cf0 h ARG 599 Ca -0.31 -0.07 -0.00 0.00 0.10 0.00 0.00 59.98 59.70 3cf0 h ARG 599 Cb 1.19 -0.25 0.00 0.00 1.11 0.00 0.00 29.97 32.02 3cf0 h ARG 599 CO 0.43 0.74 -0.01 0.28 0.10 0.00 0.00 179.97 181.52 3cf0 h VAL 600 N 1.16 1.45 -0.41 0.08 2.07 -1.94 -1.30 116.25 117.35 3cf0 h VAL 600 Ca 0.38 -1.43 -0.06 0.00 0.82 0.00 0.00 66.70 66.40 3cf0 h VAL 600 Cb 0.04 2.41 -0.02 0.00 -1.52 0.00 0.00 31.29 32.19 3cf0 h VAL 600 CO -0.13 0.37 -0.02 0.40 0.02 0.00 0.00 177.57 178.21 3cf0 h ILE 601 N -0.64 1.23 -0.84 4.57 1.08 -1.93 -1.64 117.51 119.34 3cf0 h ILE 601 Ca -0.00 -0.94 0.09 0.00 -0.39 0.00 0.00 64.86 63.62 3cf0 h ILE 601 Cb 0.61 0.93 -0.07 0.00 -3.07 0.00 0.00 36.82 35.23 3cf0 h ILE 601 CO 0.00 0.32 0.49 -1.13 -0.69 0.00 0.00 178.15 177.15 3cf0 h ASN 602 N 0.63 0.72 0.10 1.72 -1.24 -0.74 0.77 115.58 117.54 3cf0 h ASN 602 Ca 0.13 0.04 -0.00 0.00 0.71 0.00 0.00 56.30 57.17 3cf0 h ASN 602 Cb 0.42 -0.10 0.00 0.00 0.73 0.00 0.00 38.32 39.37 3cf0 h ASN 602 CO 0.02 0.42 -0.05 -0.61 -1.29 0.00 0.00 177.43 175.93 3cf0 h GLN 603 N 0.84 -0.12 -1.00 6.67 5.75 -0.31 -1.38 115.11 125.56 3cf0 h GLN 603 Ca 0.39 0.01 0.19 0.00 -0.15 0.00 0.00 58.65 59.09 3cf0 h GLN 603 Cb 0.32 0.03 -0.10 0.00 1.07 0.00 0.00 27.48 28.80 3cf0 h GLN 603 CO -0.23 -0.03 0.61 0.82 -2.65 0.00 0.00 178.83 177.35 3cf0 h ILE 604 N -0.18 0.71 -0.57 2.39 2.04 -0.68 0.19 117.51 121.41 3cf0 h ILE 604 Ca -0.01 -0.25 -0.04 0.00 1.00 0.00 0.00 64.86 65.55 3cf0 h ILE 604 Cb 0.15 -0.09 -0.02 0.00 -0.74 0.00 0.00 36.82 36.11 3cf0 h ILE 604 CO 0.02 0.14 0.20 -0.07 0.00 0.00 0.00 178.15 178.44 3cf0 h LEU 605 N 0.74 0.81 0.25 1.44 3.38 0.15 -2.86 115.31 119.22 3cf0 h LEU 605 Ca 0.57 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 58.33 3cf0 h LEU 605 Cb 0.91 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.45 3cf0 h LEU 605 CO -0.35 0.79 -0.12 0.74 0.09 0.00 0.00 178.44 179.58 3cf0 h THR 606 N 0.80 0.80 0.00 0.22 2.02 0.18 -1.60 112.91 115.33 3cf0 h THR 606 Ca 0.19 -0.33 0.00 0.00 0.77 0.00 0.00 66.41 67.04 3cf0 h THR 606 Cb 0.25 0.99 0.00 0.00 -1.74 0.00 0.00 68.15 67.65 3cf0 h THR 606 CO -0.01 0.07 0.02 -0.62 0.37 0.00 0.00 175.52 175.35 3cf0 n GLU 607 N -5.16 0.00 -0.02 6.66 -0.58 -0.07 -0.39 120.64 121.08 3cf0 n GLU 607 Ca -0.09 0.09 0.00 0.00 -0.42 0.00 0.00 57.16 56.73 3cf0 n GLU 607 Cb 0.21 -1.52 -0.05 0.00 -0.57 0.00 0.00 31.44 29.50 3cf0 n GLU 607 CO 0.00 0.00 0.00 -0.12 -0.48 0.00 0.00 177.13 176.53 3cf0 n MET 608 N -1.02 1.62 -0.02 3.49 1.56 -0.69 -3.70 117.12 118.36 3cf0 n MET 608 Ca 0.00 -0.03 -0.16 0.00 -0.27 0.00 0.00 57.70 57.24 3cf0 n MET 608 Cb 0.02 -1.16 -0.11 0.00 2.15 0.00 0.00 33.22 34.12 3cf0 n MET 608 CO 0.00 0.00 0.00 -0.44 -0.73 0.00 0.00 175.97 174.80 3cf0 h ASP 609 N 0.00 0.35 0.77 6.12 3.32 0.18 -3.24 116.42 123.92 3cf0 h ASP 609 Ca -0.09 -0.75 0.00 0.00 0.02 0.00 0.00 57.03 56.21 3cf0 h ASP 609 Cb 0.86 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.31 3cf0 h ASP 609 CO 0.00 1.06 0.00 0.61 -1.72 0.00 0.00 179.24 179.19 3cf0 n GLY 610 N 1.01 -1.29 3.52 2.75 0.00 -0.02 -4.65 105.19 106.52 3cf0 n GLY 610 Ca -0.10 -0.09 -0.43 0.00 0.00 0.00 0.00 46.02 45.41 3cf0 n GLY 610 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3cf0 s MET 611 N -2.94 3.33 0.07 1.61 0.00 -1.23 -4.98 119.30 115.17 3cf0 s MET 611 Ca 0.13 -0.27 -0.35 0.00 0.00 0.00 0.00 55.69 55.19 3cf0 s MET 611 Cb 0.16 -3.97 -0.15 0.00 0.00 0.00 0.00 34.83 30.88 3cf0 s MET 611 CO 0.43 -1.12 1.56 0.45 0.00 0.00 0.00 175.02 176.33 3cf0 n SER 612 N 6.58 2.64 -0.05 1.11 2.88 -1.26 -4.84 113.62 120.69 3cf0 n SER 612 Ca 0.00 1.08 0.25 0.00 -1.33 0.00 0.00 58.87 58.87 3cf0 n SER 612 Cb 0.48 -1.33 0.68 0.00 -0.75 0.00 0.00 64.21 63.29 3cf0 n SER 612 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3cf0 h THR 613 N 3.89 0.30 -0.04 2.46 1.03 -1.93 -2.33 112.91 116.29 3cf0 h THR 613 Ca -0.46 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 65.94 3cf0 h THR 613 Cb 1.29 0.47 0.00 0.00 -1.07 0.00 0.00 68.15 68.83 3cf0 h THR 613 CO 0.87 0.00 0.00 0.29 -0.01 0.00 0.00 175.52 176.67 3cf0 n LYS 614 N -3.69 1.78 0.00 0.00 5.02 -1.26 -4.77 118.16 115.24 3cf0 n LYS 614 Ca 0.14 -1.14 0.00 0.00 -2.02 0.00 0.00 58.31 55.29 3cf0 n LYS 614 Cb 0.93 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 34.46 3cf0 n LYS 614 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3cf0 n LYS 615 N 0.38 -0.36 -2.37 1.97 4.76 -0.88 -5.01 118.16 116.65 3cf0 n LYS 615 Ca 0.18 0.00 -0.18 0.00 -2.87 0.00 0.00 58.31 55.44 3cf0 n LYS 615 Cb 0.39 0.00 0.02 0.00 -1.84 0.00 0.00 35.03 33.60 3cf0 n LYS 615 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 3cf0 n ASN 616 N -2.43 3.81 -4.43 4.39 2.85 -1.26 -5.00 115.26 113.18 3cf0 n ASN 616 Ca 0.00 -3.27 -0.37 0.00 -0.11 0.00 0.00 54.58 50.83 3cf0 n ASN 616 Cb 0.00 -0.42 -0.13 0.00 1.24 0.00 0.00 39.78 40.48 3cf0 n ASN 616 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 3cf0 s VAL 617 N -4.50 4.26 -0.25 3.44 1.01 -1.26 -1.48 120.40 121.63 3cf0 s VAL 617 Ca 0.43 -0.23 -0.08 0.00 0.00 0.00 0.00 61.98 62.10 3cf0 s VAL 617 Cb 0.39 -3.01 -0.03 0.00 0.00 0.00 0.00 36.38 33.73 3cf0 s VAL 617 CO -0.03 0.32 0.08 0.12 0.00 0.00 0.00 175.10 175.59 3cf0 s PHE 618 N 1.60 3.11 -0.14 5.22 5.36 0.34 -4.97 117.98 128.50 3cf0 s PHE 618 Ca 0.06 -0.33 -0.13 0.00 -0.96 0.00 0.00 56.93 55.57 3cf0 s PHE 618 Cb -0.15 -2.24 -0.05 0.00 -0.34 0.00 0.00 43.02 40.24 3cf0 s PHE 618 CO 0.03 -0.30 0.30 0.42 -1.46 0.00 0.00 175.22 174.21 3cf0 s ILE 619 N 1.54 5.29 -0.08 3.12 1.01 -0.95 -1.11 121.20 130.01 3cf0 s ILE 619 Ca 0.06 0.56 0.01 0.00 0.00 0.00 0.00 60.65 61.28 3cf0 s ILE 619 Cb -0.15 -3.62 0.02 0.00 0.01 0.00 0.00 42.46 38.71 3cf0 s ILE 619 CO 0.04 0.43 -0.11 -0.63 0.00 0.00 0.00 174.94 174.68 3cf0 s ILE 620 N 0.17 1.10 0.31 2.92 1.01 0.12 -1.67 121.20 125.17 3cf0 s ILE 620 Ca 0.17 -0.41 -0.02 0.00 0.00 0.00 0.00 60.65 60.39 3cf0 s ILE 620 Cb -0.13 -1.05 -0.04 0.00 0.01 0.00 0.00 42.46 41.25 3cf0 s ILE 620 CO 0.05 0.36 0.54 -0.83 0.00 0.00 0.00 174.94 175.06 3cf0 s GLY 621 N 1.06 1.57 0.00 6.18 0.00 -0.44 0.08 107.32 115.77 3cf0 s GLY 621 Ca -0.07 -0.78 -0.11 0.00 0.00 0.00 0.00 44.72 43.77 3cf0 s GLY 621 CO -0.01 -0.70 0.21 0.00 0.00 0.00 0.00 173.10 172.61 3cf0 s ALA 622 N -2.20 -0.52 -0.13 3.20 0.00 -0.70 -0.92 121.76 120.50 3cf0 s ALA 622 Ca 0.41 0.04 -0.29 0.00 0.00 0.00 0.00 51.96 52.12 3cf0 s ALA 622 Cb -0.10 0.12 0.08 0.00 0.00 0.00 0.00 23.12 23.21 3cf0 s ALA 622 CO 0.33 -0.25 0.74 -0.08 0.00 0.00 0.00 175.76 176.51 3cf0 s THR 623 N -1.48 0.00 -0.39 0.00 -1.32 -0.83 -1.54 115.64 110.08 3cf0 s THR 623 Ca -0.13 0.00 0.15 0.00 -1.21 0.00 0.00 61.69 60.50 3cf0 s THR 623 Cb -0.06 -1.00 0.54 0.00 -1.51 0.00 0.00 72.50 70.47 3cf0 s THR 623 CO 0.02 0.00 1.45 -0.46 -2.21 0.00 0.00 174.62 173.42 3cf0 n ASN 624 N 1.40 4.01 -3.19 8.08 2.04 -1.26 -2.77 115.26 123.58 3cf0 n ASN 624 Ca -0.17 -2.79 -0.22 0.00 -0.44 0.00 0.00 54.58 50.97 3cf0 n ASN 624 Cb 0.57 -0.51 -0.05 0.00 -2.53 0.00 0.00 39.78 37.25 3cf0 n ASN 624 CO 0.00 0.00 0.00 0.54 -0.44 0.00 0.00 177.26 177.36 3cf0 n ARG 625 N -0.07 0.94 0.10 -3.83 5.12 -1.26 -4.81 116.66 112.84 3cf0 n ARG 625 Ca 0.21 -3.37 0.01 0.00 -1.93 0.00 0.00 57.85 52.77 3cf0 n ARG 625 Cb 0.85 -1.48 0.36 0.00 -1.16 0.00 0.00 32.46 31.02 3cf0 n ARG 625 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 3cf0 h PRO 626 N 3.55 0.28 -1.38 5.56 0.13 -1.95 -0.16 132.00 138.03 3cf0 h PRO 626 Ca 0.09 -0.07 0.41 0.00 -0.87 0.00 0.00 66.00 65.56 3cf0 h PRO 626 Cb 0.90 -0.04 -0.09 0.00 0.13 0.00 0.00 31.00 31.91 3cf0 h PRO 626 CO 0.50 0.43 0.94 0.38 -0.23 0.00 0.00 178.00 180.02 3cf0 h ASP 627 N 0.26 0.16 -0.01 1.44 2.03 -1.98 -2.34 116.42 115.98 3cf0 h ASP 627 Ca 0.05 0.06 0.00 0.00 -0.73 0.00 0.00 57.03 56.41 3cf0 h ASP 627 Cb 0.42 0.05 0.00 0.00 -0.83 0.00 0.00 39.33 38.96 3cf0 h ASP 627 CO 0.02 -0.05 -0.56 2.30 -1.03 0.00 0.00 179.24 179.93 3cf0 n ILE 628 N -4.38 0.00 -1.66 4.15 -5.35 -0.08 -4.95 119.36 107.09 3cf0 n ILE 628 Ca 0.34 -0.22 -0.43 0.00 -0.27 0.00 0.00 62.75 62.17 3cf0 n ILE 628 Cb 1.41 1.19 -0.00 0.00 -1.74 0.00 0.00 39.64 40.49 3cf0 n ILE 628 CO 0.00 0.00 0.00 -0.38 -1.76 0.00 0.00 176.55 174.41 3cf0 n ILE 629 N -0.36 2.10 -2.03 7.28 2.08 -0.88 -4.87 119.36 122.67 3cf0 n ILE 629 Ca 0.08 -0.50 -0.42 0.00 0.56 0.00 0.00 62.75 62.46 3cf0 n ILE 629 Cb 0.41 -1.38 -0.03 0.00 -0.75 0.00 0.00 39.64 37.89 3cf0 n ILE 629 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 3cf0 s ASP 630 N -0.44 6.69 0.42 4.38 2.15 -1.26 -4.90 116.67 123.70 3cf0 s ASP 630 Ca 0.58 2.26 0.23 0.00 0.43 0.00 0.00 52.55 56.05 3cf0 s ASP 630 Cb -0.59 -2.54 1.23 0.00 -0.30 0.00 0.00 42.92 40.71 3cf0 s ASP 630 CO 0.61 -0.88 1.74 -0.65 -0.17 0.00 0.00 175.17 175.81 3cf0 h PRO 631 N 8.97 0.27 -0.15 4.34 0.11 -1.94 -1.47 132.00 142.14 3cf0 h PRO 631 Ca -0.40 -0.02 0.04 0.00 0.11 0.00 0.00 66.00 65.74 3cf0 h PRO 631 Cb 1.18 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 3cf0 h PRO 631 CO 0.94 0.18 0.40 0.00 -0.21 0.00 0.00 178.00 179.31 3cf0 h ALA 632 N 1.59 1.64 0.00 -0.75 0.00 -1.99 0.58 119.26 120.33 3cf0 h ALA 632 Ca 0.65 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.55 3cf0 h ALA 632 Cb 1.85 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.65 3cf0 h ALA 632 CO -0.30 -0.48 -0.01 0.82 0.00 0.00 0.00 179.25 179.28 3cf0 h ILE 633 N 0.00 0.02 0.00 0.00 2.04 -1.65 -2.82 117.51 115.11 3cf0 h ILE 633 Ca 0.07 -0.46 0.00 0.00 1.00 0.00 0.00 64.86 65.47 3cf0 h ILE 633 Cb 0.87 1.45 0.00 0.00 -0.74 0.00 0.00 36.82 38.40 3cf0 h ILE 633 CO -0.00 0.01 -1.26 0.18 0.00 0.00 0.00 178.15 177.08 3cf0 n LEU 634 N -3.11 0.59 -4.54 1.44 4.77 0.20 -1.42 117.00 114.94 3cf0 n LEU 634 Ca 0.00 -0.18 -0.35 0.00 -0.03 0.00 0.00 56.01 55.45 3cf0 n LEU 634 Cb 0.28 -0.04 0.09 0.00 -2.33 0.00 0.00 43.42 41.41 3cf0 n LEU 634 CO 0.26 0.10 0.29 0.54 -1.33 0.00 0.00 177.39 177.26 3cf0 n ARG 635 N -1.87 0.28 -1.52 3.23 1.74 -1.07 -4.40 116.66 113.04 3cf0 n ARG 635 Ca 0.01 0.15 -0.48 0.00 -0.77 0.00 0.00 57.85 56.76 3cf0 n ARG 635 Cb 0.43 -2.04 -0.03 0.00 -1.02 0.00 0.00 32.46 29.80 3cf0 n ARG 635 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 3cf0 n PRO 636 N -1.54 0.76 -0.74 5.56 -0.02 -1.26 -2.46 135.00 135.30 3cf0 n PRO 636 Ca 0.11 0.27 0.00 0.00 -2.02 0.00 0.00 63.50 61.86 3cf0 n PRO 636 Cb 0.50 -1.57 0.00 0.00 -0.02 0.00 0.00 33.50 32.41 3cf0 n PRO 636 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3cf0 n GLY 637 N 1.72 0.64 0.00 -1.23 0.00 -1.26 -4.98 105.19 100.09 3cf0 n GLY 637 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 3cf0 n GLY 637 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3cf0 n ARG 638 N -2.70 0.00 -3.01 1.61 1.74 -1.03 -4.81 116.66 108.47 3cf0 n ARG 638 Ca 0.00 0.00 -0.44 0.00 -0.77 0.00 0.00 57.85 56.64 3cf0 n ARG 638 Cb 0.00 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.41 3cf0 n ARG 638 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3cf0 s LEU 639 N 0.00 5.37 0.03 0.55 1.43 -0.51 -3.56 118.68 121.99 3cf0 s LEU 639 Ca 0.00 -2.10 -0.02 0.00 -1.03 0.00 0.00 54.13 50.97 3cf0 s LEU 639 Cb 0.00 -2.36 -0.27 0.00 0.03 0.00 0.00 46.19 43.59 3cf0 s LEU 639 CO 0.00 -0.99 0.97 0.44 0.23 0.00 0.00 176.35 177.00 3cf0 h ASP 640 N 8.67 0.37 -2.70 2.29 5.19 -1.76 -3.38 116.42 125.10 3cf0 h ASP 640 Ca 0.11 -0.46 -0.65 0.00 -0.62 0.00 0.00 57.03 55.41 3cf0 h ASP 640 Cb 1.03 -0.12 -0.16 0.00 0.18 0.00 0.00 39.33 40.26 3cf0 h ASP 640 CO 1.04 1.38 0.45 -1.10 -3.12 0.00 0.00 179.24 177.89 3cf0 s GLN 641 N -2.63 3.13 0.20 3.56 -1.52 -1.23 -4.95 119.66 116.22 3cf0 s GLN 641 Ca -0.07 -1.03 -0.30 0.00 -1.95 0.00 0.00 55.36 52.02 3cf0 s GLN 641 Cb 0.07 -4.29 -0.09 0.00 -0.22 0.00 0.00 33.01 28.48 3cf0 s GLN 641 CO 0.86 -1.74 1.34 -0.51 -0.25 0.00 0.00 175.29 174.99 3cf0 s LEU 642 N 3.61 4.41 -0.05 2.90 2.01 -1.26 -0.93 118.68 129.36 3cf0 s LEU 642 Ca 0.20 2.45 0.00 0.00 0.01 0.00 0.00 54.13 56.80 3cf0 s LEU 642 Cb -0.18 -3.61 0.02 0.00 0.01 0.00 0.00 46.19 42.43 3cf0 s LEU 642 CO 0.08 -0.57 -0.03 -0.63 1.01 0.00 0.00 176.35 176.20 3cf0 s ILE 643 N 0.18 0.50 -0.21 -0.59 1.01 0.39 -4.92 121.20 117.57 3cf0 s ILE 643 Ca 0.58 -0.07 -0.21 0.00 0.00 0.00 0.00 60.65 60.95 3cf0 s ILE 643 Cb -0.38 -0.56 -0.02 0.00 0.01 0.00 0.00 42.46 41.51 3cf0 s ILE 643 CO 0.38 0.23 0.65 -0.47 0.00 0.00 0.00 174.94 175.74 3cf0 s TYR 644 N 1.17 3.36 -0.45 3.97 5.04 -1.26 -1.42 117.35 127.77 3cf0 s TYR 644 Ca -0.07 0.94 -0.07 0.00 -2.44 0.00 0.00 57.07 55.43 3cf0 s TYR 644 Cb -0.14 -2.83 0.12 0.00 0.35 0.00 0.00 41.96 39.46 3cf0 s TYR 644 CO -0.01 -0.21 0.29 0.42 -1.34 0.00 0.00 175.55 174.70 3cf0 s ILE 645 N 2.05 3.88 0.79 3.14 1.09 -0.44 -4.96 121.20 126.75 3cf0 s ILE 645 Ca 0.29 -1.88 -0.12 0.00 -1.10 0.00 0.00 60.65 57.85 3cf0 s ILE 645 Cb -0.16 -3.59 0.07 0.00 -1.06 0.00 0.00 42.46 37.73 3cf0 s ILE 645 CO 0.10 -0.74 1.16 -2.16 -0.10 0.00 0.00 174.94 173.20 3cf0 s PRO 646 N 1.28 2.10 0.51 2.79 0.04 -1.26 -3.99 135.00 136.47 3cf0 s PRO 646 Ca 0.07 0.15 -0.23 0.00 0.04 0.00 0.00 61.00 61.02 3cf0 s PRO 646 Cb -0.25 -1.97 -0.07 0.00 0.04 0.00 0.00 34.50 32.26 3cf0 s PRO 646 CO -0.02 -1.51 1.28 1.28 0.04 0.00 0.00 177.00 178.08 3cf0 n LEU 647 N -3.26 4.80 -4.75 -3.56 4.32 -1.26 -4.92 117.00 108.38 3cf0 n LEU 647 Ca 0.08 1.00 -0.41 0.00 -0.02 0.00 0.00 56.01 56.66 3cf0 n LEU 647 Cb 0.60 -1.53 -0.03 0.00 -1.62 0.00 0.00 43.42 40.84 3cf0 n LEU 647 CO 0.57 -0.74 0.95 -2.16 -1.22 0.00 0.00 177.39 174.78 3cf0 s PRO 648 N -2.63 4.43 0.93 3.23 0.04 -1.26 -5.02 135.00 134.72 3cf0 s PRO 648 Ca 0.68 2.04 -0.14 0.00 0.04 0.00 0.00 61.00 63.62 3cf0 s PRO 648 Cb -0.45 -3.17 0.21 0.00 0.04 0.00 0.00 34.50 31.14 3cf0 s PRO 648 CO 0.52 -0.15 1.27 -0.40 0.04 0.00 0.00 177.00 178.28 3cf0 n ASP 649 N 1.97 0.23 -0.11 6.66 5.75 -1.26 -4.69 116.55 125.10 3cf0 n ASP 649 Ca 0.03 -1.54 -0.03 0.00 -0.01 0.00 0.00 54.79 53.24 3cf0 n ASP 649 Cb 0.43 -0.96 -0.03 0.00 -1.03 0.00 0.00 41.12 39.54 3cf0 n ASP 649 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3cf0 n GLU 650 N -3.65 -0.12 0.05 0.11 4.71 -1.26 -0.81 120.64 119.67 3cf0 n GLU 650 Ca 0.16 0.70 -0.13 0.00 -0.01 0.00 0.00 57.16 57.89 3cf0 n GLU 650 Cb 0.57 -1.04 -0.08 0.00 -1.01 0.00 0.00 31.44 29.88 3cf0 n GLU 650 CO 0.00 0.00 0.00 0.87 0.09 0.00 0.00 177.13 178.09 3cf0 h LYS 651 N 0.00 -0.08 -0.79 3.49 1.57 -1.94 -3.21 116.57 115.61 3cf0 h LYS 651 Ca 0.04 0.01 0.14 0.00 -1.87 0.00 0.00 60.65 58.97 3cf0 h LYS 651 Cb 0.11 0.02 -0.09 0.00 0.08 0.00 0.00 32.23 32.35 3cf0 h LYS 651 CO -0.25 0.13 0.36 0.77 -0.57 0.00 0.00 179.45 179.89 3cf0 h SER 652 N -0.28 0.40 -0.73 0.86 0.02 -1.73 0.16 113.55 112.25 3cf0 h SER 652 Ca -0.01 0.10 0.03 0.00 -0.84 0.00 0.00 61.79 61.07 3cf0 h SER 652 Cb 0.25 0.05 -0.04 0.00 0.14 0.00 0.00 62.40 62.79 3cf0 h SER 652 CO 0.01 0.16 0.48 0.03 -1.14 0.00 0.00 176.83 176.38 3cf0 h ARG 653 N 0.53 0.86 0.60 3.45 3.08 -0.97 0.12 114.38 122.06 3cf0 h ARG 653 Ca 0.43 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 60.40 3cf0 h ARG 653 Cb 0.63 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.49 3cf0 h ARG 653 CO -0.38 0.57 -0.32 0.28 -1.07 0.00 0.00 179.97 179.05 3cf0 h VAL 654 N 0.88 0.35 -0.56 2.04 2.07 -0.75 -0.89 116.25 119.39 3cf0 h VAL 654 Ca 0.29 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.92 3cf0 h VAL 654 Cb 0.05 0.35 -0.10 0.00 -1.52 0.00 0.00 31.29 30.08 3cf0 h VAL 654 CO -0.08 0.00 -0.06 0.00 0.02 0.00 0.00 177.57 177.45 3cf0 h ALA 655 N -0.47 0.47 -0.99 1.67 0.00 -1.06 -0.28 119.26 118.60 3cf0 h ALA 655 Ca -0.08 0.19 0.06 0.00 0.00 0.00 0.00 54.91 55.09 3cf0 h ALA 655 Cb 0.67 0.35 -0.07 0.00 0.00 0.00 0.00 17.79 18.74 3cf0 h ALA 655 CO 0.12 -0.41 0.64 0.82 0.00 0.00 0.00 179.25 180.41 3cf0 h ILE 656 N 0.06 1.09 -0.31 0.00 2.04 -0.63 0.50 117.51 120.25 3cf0 h ILE 656 Ca 0.28 -0.40 -0.04 0.00 1.00 0.00 0.00 64.86 65.70 3cf0 h ILE 656 Cb 0.44 -0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 36.33 3cf0 h ILE 656 CO -0.52 0.21 0.03 -0.07 0.00 0.00 0.00 178.15 177.80 3cf0 h LEU 657 N 1.16 0.51 -0.11 1.44 3.38 0.31 0.14 115.31 122.14 3cf0 h LEU 657 Ca 0.42 -0.28 0.01 0.00 0.09 0.00 0.00 57.88 58.13 3cf0 h LEU 657 Cb 0.16 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 3cf0 h LEU 657 CO -0.17 0.66 0.03 0.11 0.09 0.00 0.00 178.44 179.16 3cf0 h LYS 658 N 0.35 0.09 -0.41 1.13 1.57 -0.33 -1.34 116.57 117.62 3cf0 h LYS 658 Ca 0.09 -0.01 0.05 0.00 -1.87 0.00 0.00 60.65 58.91 3cf0 h LYS 658 Cb 0.38 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.62 3cf0 h LYS 658 CO 0.01 0.06 0.16 0.00 -0.57 0.00 0.00 179.45 179.11 3cf0 h ALA 659 N 1.07 0.50 0.00 3.86 0.00 0.05 0.79 119.26 125.53 3cf0 h ALA 659 Ca 0.05 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 3cf0 h ALA 659 Cb 0.03 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 3cf0 h ALA 659 CO -0.06 -0.22 -0.01 -0.91 0.00 0.00 0.00 179.25 178.05 3cf0 h ASN 660 N 0.34 0.00 -0.01 0.00 4.21 -0.61 -3.03 115.58 116.47 3cf0 h ASN 660 Ca 0.19 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.70 3cf0 h ASN 660 Cb 0.15 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.35 3cf0 h ASN 660 CO -0.18 0.01 -0.03 0.18 -1.29 0.00 0.00 177.43 176.13 3cf0 n LEU 661 N -3.15 1.68 -0.32 1.61 4.77 -0.53 -4.67 117.00 116.39 3cf0 n LEU 661 Ca -0.02 -0.96 0.16 0.00 -0.03 0.00 0.00 56.01 55.16 3cf0 n LEU 661 Cb 0.18 0.00 0.31 0.00 -2.33 0.00 0.00 43.42 41.58 3cf0 n LEU 661 CO 0.24 0.33 0.77 0.54 -1.33 0.00 0.00 177.39 177.94 3cf0 n ARG 662 N 0.40 -0.07 -1.89 3.23 1.74 0.18 -0.65 116.66 119.60 3cf0 n ARG 662 Ca 0.05 1.37 -0.36 0.00 -0.77 0.00 0.00 57.85 58.15 3cf0 n ARG 662 Cb 0.23 -2.22 0.04 0.00 -1.02 0.00 0.00 32.46 29.49 3cf0 n ARG 662 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3cf0 n LYS 663 N -5.33 2.92 -3.84 5.56 5.02 -1.26 -4.96 118.16 116.26 3cf0 n LYS 663 Ca 0.24 -3.69 -0.12 0.00 -2.02 0.00 0.00 58.31 52.72 3cf0 n LYS 663 Cb 0.78 -2.27 -0.10 0.00 -0.02 0.00 0.00 35.03 33.41 3cf0 n LYS 663 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 3cf0 s SER 664 N -1.85 -0.05 -1.31 4.39 0.01 0.18 -5.08 113.70 109.99 3cf0 s SER 664 Ca 0.54 -0.03 -0.18 0.00 1.31 0.00 0.00 55.95 57.59 3cf0 s SER 664 Cb 0.45 0.26 0.06 0.00 0.21 0.00 0.00 66.02 66.99 3cf0 s SER 664 CO -0.26 -0.30 1.80 -2.65 0.41 0.00 0.00 173.24 172.25 3cf0 n PRO 665 N 1.82 3.06 -2.48 12.44 -0.02 -1.26 -4.96 135.00 143.60 3cf0 n PRO 665 Ca -0.20 -3.15 -0.43 0.00 -2.02 0.00 0.00 63.50 57.70 3cf0 n PRO 665 Cb 0.56 -3.49 -0.02 0.00 -0.02 0.00 0.00 33.50 30.53 3cf0 n PRO 665 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3cf0 s VAL 666 N 4.51 4.37 0.46 -1.45 -7.23 -1.26 -0.39 120.40 119.42 3cf0 s VAL 666 Ca 0.54 1.66 -0.24 0.00 -1.81 0.00 0.00 61.98 62.14 3cf0 s VAL 666 Cb 0.05 -4.07 -0.09 0.00 0.56 0.00 0.00 36.38 32.83 3cf0 s VAL 666 CO 0.07 -0.13 1.18 0.00 -0.31 0.00 0.00 175.10 175.90 3cf0 n ALA 667 N 6.43 0.92 -0.26 1.32 0.00 -0.12 -4.89 120.51 123.90 3cf0 n ALA 667 Ca 0.13 0.20 -0.07 0.00 0.00 0.00 0.00 53.44 53.70 3cf0 n ALA 667 Cb 0.45 -2.21 0.05 0.00 0.00 0.00 0.00 19.45 17.74 3cf0 n ALA 667 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3cf0 h LYS 668 N 1.65 1.14 -0.66 0.00 1.57 -1.95 -2.98 116.57 115.34 3cf0 h LYS 668 Ca -0.47 -0.26 -0.08 0.00 -1.87 0.00 0.00 60.65 57.97 3cf0 h LYS 668 Cb 1.32 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 33.44 3cf0 h LYS 668 CO 0.58 0.98 0.11 0.38 -0.57 0.00 0.00 179.45 180.92 3cf0 h ASP 669 N 1.08 1.04 -1.05 0.86 2.03 -1.98 -3.45 116.42 114.94 3cf0 h ASP 669 Ca 0.23 -0.25 -0.78 0.00 -0.73 0.00 0.00 57.03 55.50 3cf0 h ASP 669 Cb 0.33 -0.28 0.00 0.00 -0.83 0.00 0.00 39.33 38.56 3cf0 h ASP 669 CO -0.00 1.03 0.96 0.52 -1.03 0.00 0.00 179.24 180.72 3cf0 n VAL 670 N -4.21 0.14 -3.45 4.15 0.31 -1.13 -4.92 118.33 109.22 3cf0 n VAL 670 Ca 0.04 -0.05 -0.43 0.00 -0.01 0.00 0.00 64.34 63.89 3cf0 n VAL 670 Cb 0.29 -0.91 -0.09 0.00 -0.91 0.00 0.00 33.84 32.22 3cf0 n VAL 670 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3cf0 s ASP 671 N 4.21 6.07 0.03 4.52 -1.08 -1.26 -4.92 116.67 124.24 3cf0 s ASP 671 Ca 1.06 -1.13 -0.03 0.00 -0.52 0.00 0.00 52.55 51.92 3cf0 s ASP 671 Cb -1.26 -2.15 -0.28 0.00 -1.46 0.00 0.00 42.92 37.77 3cf0 s ASP 671 CO 0.69 -0.54 0.97 -0.07 0.52 0.00 0.00 175.17 176.75 3cf0 h LEU 672 N 8.66 0.40 -2.39 -1.34 3.38 -1.99 -2.89 115.31 119.15 3cf0 h LEU 672 Ca -0.27 -0.50 0.03 0.00 0.09 0.00 0.00 57.88 57.22 3cf0 h LEU 672 Cb 1.11 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.73 3cf0 h LEU 672 CO 0.79 1.41 0.15 -0.33 0.09 0.00 0.00 178.44 180.55 3cf0 h GLU 673 N 0.07 0.00 0.00 1.13 3.07 -1.95 0.32 114.58 117.22 3cf0 h GLU 673 Ca -0.20 0.00 -0.07 0.00 -0.50 0.00 0.00 59.36 58.59 3cf0 h GLU 673 Cb 2.00 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.90 3cf0 h GLU 673 CO 0.18 0.00 -0.44 0.35 -1.40 0.00 0.00 179.01 177.70 3cf0 h PHE 674 N 0.00 0.00 -1.08 4.33 3.57 -1.98 -3.16 116.94 118.63 3cf0 h PHE 674 Ca 0.04 0.00 0.36 0.00 3.53 0.00 0.00 57.97 61.91 3cf0 h PHE 674 Cb 0.34 0.00 -0.15 0.00 2.79 0.00 0.00 35.95 38.94 3cf0 h PHE 674 CO 0.00 0.79 0.63 -0.07 -2.23 0.00 0.00 178.31 177.44 3cf0 h LEU 675 N -1.00 0.41 -0.80 0.59 3.38 -1.05 0.19 115.31 117.03 3cf0 h LEU 675 Ca -0.10 0.18 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 3cf0 h LEU 675 Cb 0.81 0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.68 3cf0 h LEU 675 CO -0.06 -0.19 0.34 0.00 0.09 0.00 0.00 178.44 178.62 3cf0 h ALA 676 N 1.81 1.04 0.00 1.53 0.00 -0.50 -2.31 119.26 120.83 3cf0 h ALA 676 Ca 0.77 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 55.44 3cf0 h ALA 676 Cb 1.98 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 19.45 3cf0 h ALA 676 CO -0.57 0.65 -0.23 0.87 0.00 0.00 0.00 179.25 179.97 3cf0 h LYS 677 N 1.16 0.00 -0.00 0.00 1.79 -0.61 -3.16 116.57 115.75 3cf0 h LYS 677 Ca 0.27 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.74 3cf0 h LYS 677 Cb 0.19 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.84 3cf0 h LYS 677 CO -0.03 0.23 -0.02 -1.33 -1.08 0.00 0.00 179.45 177.23 3cf0 n MET 678 N -4.10 0.01 -4.95 3.15 2.81 -0.75 -4.83 117.12 108.46 3cf0 n MET 678 Ca -0.02 -0.00 -0.28 0.00 -1.81 0.00 0.00 57.70 55.59 3cf0 n MET 678 Cb 0.30 -1.50 -0.17 0.00 -0.71 0.00 0.00 33.22 31.14 3cf0 n MET 678 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 3cf0 s THR 679 N -2.99 1.63 0.00 2.03 -4.23 -1.20 -5.08 115.64 105.80 3cf0 s THR 679 Ca 0.14 -0.80 0.00 0.00 -1.18 0.00 0.00 61.69 59.86 3cf0 s THR 679 Cb 0.19 -1.42 0.00 0.00 1.34 0.00 0.00 72.50 72.61 3cf0 s THR 679 CO 0.53 0.46 0.00 0.59 -0.54 0.00 0.00 174.62 175.67 3cf0 n ASN 680 N 3.40 0.00 -0.54 3.99 3.02 -1.26 -4.72 115.26 119.14 3cf0 n ASN 680 Ca -0.19 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.36 3cf0 n ASN 680 Cb 0.52 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.69 3cf0 n ASN 680 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3cf0 n GLY 681 N 4.23 0.00 3.70 7.41 0.00 -1.26 -4.46 105.19 114.80 3cf0 n GLY 681 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3cf0 n GLY 681 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3cf0 s PHE 682 N -0.69 3.54 0.34 1.61 0.40 -1.26 -3.92 117.98 117.99 3cf0 s PHE 682 Ca 0.00 1.45 0.03 0.00 -0.60 0.00 0.00 56.93 57.81 3cf0 s PHE 682 Cb 0.00 -3.03 -0.02 0.00 0.51 0.00 0.00 43.02 40.48 3cf0 s PHE 682 CO 0.00 -0.10 0.50 -1.54 0.70 0.00 0.00 175.22 174.78 3cf0 s SER 683 N 1.02 6.12 0.24 1.36 1.04 -1.26 -4.25 113.70 117.96 3cf0 s SER 683 Ca 0.44 0.14 -0.07 0.00 0.48 0.00 0.00 55.95 56.94 3cf0 s SER 683 Cb -0.18 -1.66 0.41 0.00 0.10 0.00 0.00 66.02 64.69 3cf0 s SER 683 CO 0.19 -0.36 1.67 1.23 0.98 0.00 0.00 173.24 176.96 3cf0 h GLY 684 N 0.83 0.90 0.23 7.32 0.00 -1.26 0.32 103.07 111.41 3cf0 h GLY 684 Ca -0.49 0.02 0.05 0.00 0.00 0.00 0.00 47.33 46.91 3cf0 h GLY 684 CO 0.58 -0.21 -0.24 0.00 0.00 0.00 0.00 176.54 176.66 3cf0 h ALA 685 N 1.61 -0.19 -0.88 3.60 0.00 -1.38 0.11 119.26 122.13 3cf0 h ALA 685 Ca 0.39 0.05 0.17 0.00 0.00 0.00 0.00 54.91 55.52 3cf0 h ALA 685 Cb 0.66 0.49 -0.07 0.00 0.00 0.00 0.00 17.79 18.87 3cf0 h ALA 685 CO -0.53 -0.69 0.57 -0.44 0.00 0.00 0.00 179.25 178.16 3cf0 h ASP 686 N -0.29 0.54 -0.05 0.00 3.32 -1.28 0.47 116.42 119.13 3cf0 h ASP 686 Ca 0.11 0.04 -0.07 0.00 0.02 0.00 0.00 57.03 57.14 3cf0 h ASP 686 Cb 0.46 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.95 3cf0 h ASP 686 CO -0.34 0.25 -0.23 -0.07 -1.72 0.00 0.00 179.24 177.13 3cf0 h LEU 687 N 0.55 0.28 -0.79 1.55 3.38 0.23 -2.87 115.31 117.64 3cf0 h LEU 687 Ca 0.45 -0.66 0.16 0.00 0.09 0.00 0.00 57.88 57.92 3cf0 h LEU 687 Cb 0.91 -0.08 -0.10 0.00 0.09 0.00 0.00 40.66 41.48 3cf0 h LEU 687 CO -0.19 0.89 0.32 0.74 0.09 0.00 0.00 178.44 180.29 3cf0 h THR 688 N -0.31 0.63 -1.00 0.22 2.02 -0.46 -1.07 112.91 112.94 3cf0 h THR 688 Ca -0.02 -0.15 0.12 0.00 0.77 0.00 0.00 66.41 67.13 3cf0 h THR 688 Cb 0.89 0.14 -0.08 0.00 -1.74 0.00 0.00 68.15 67.35 3cf0 h THR 688 CO 0.05 0.08 0.63 -0.08 0.37 0.00 0.00 175.52 176.57 3cf0 h GLU 689 N 0.45 0.96 0.94 6.66 4.57 -0.70 -1.69 114.58 125.77 3cf0 h GLU 689 Ca 0.44 -0.06 -0.05 0.00 -1.18 0.00 0.00 59.36 58.52 3cf0 h GLU 689 Cb 0.70 -0.22 0.01 0.00 -0.16 0.00 0.00 28.75 29.09 3cf0 h GLU 689 CO -0.43 0.64 -0.45 0.82 -1.18 0.00 0.00 179.01 178.41 3cf0 h ILE 690 N 0.99 0.00 -0.69 2.32 2.04 -1.01 -2.11 117.51 119.05 3cf0 h ILE 690 Ca 0.49 -0.02 0.14 0.00 1.00 0.00 0.00 64.86 66.47 3cf0 h ILE 690 Cb 0.48 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 36.43 3cf0 h ILE 690 CO -0.25 0.00 -0.17 0.00 0.00 0.00 0.00 178.15 177.73 3cf0 h GLN 692 N 0.00 1.01 -0.79 0.00 4.20 -1.22 0.25 115.11 118.55 3cf0 h GLN 692 Ca 0.33 -0.06 -0.04 0.00 0.06 0.00 0.00 58.65 58.94 3cf0 h GLN 692 Cb 0.51 -0.23 -0.04 0.00 0.30 0.00 0.00 27.48 28.03 3cf0 h GLN 692 CO -0.71 0.67 0.33 0.00 -0.67 0.00 0.00 178.83 178.44 3cf0 h ARG 693 N 1.04 1.18 0.16 1.46 3.08 -0.14 -0.86 114.38 120.29 3cf0 h ARG 693 Ca 0.38 -0.21 0.01 0.00 0.07 0.00 0.00 59.98 60.23 3cf0 h ARG 693 Cb 0.15 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 29.99 3cf0 h ARG 693 CO -0.17 0.95 -0.17 0.00 -1.07 0.00 0.00 179.97 179.51 3cf0 h ALA 694 N 1.17 -0.34 -0.08 0.04 0.00 0.06 0.23 119.26 120.34 3cf0 h ALA 694 Ca 0.26 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.17 3cf0 h ALA 694 Cb 0.20 0.25 -0.06 0.00 0.00 0.00 0.00 17.79 18.19 3cf0 h ALA 694 CO -0.02 -0.72 -0.31 0.00 0.00 0.00 0.00 179.25 178.20 3cf0 h LYS 696 N -0.42 0.00 -0.04 0.00 1.57 -0.88 0.27 116.57 117.06 3cf0 h LYS 696 Ca 0.08 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.83 3cf0 h LYS 696 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.85 3cf0 h LYS 696 CO -0.31 0.00 -0.12 -0.07 -0.57 0.00 0.00 179.45 178.38 3cf0 h LEU 697 N 0.00 0.18 0.33 2.94 3.38 0.14 -2.26 115.31 120.02 3cf0 h LEU 697 Ca 0.23 -0.61 -0.01 0.00 0.09 0.00 0.00 57.88 57.59 3cf0 h LEU 697 Cb 0.93 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.62 3cf0 h LEU 697 CO -0.00 0.75 -0.23 0.00 0.09 0.00 0.00 178.44 179.05 3cf0 h ALA 698 N 0.43 -0.55 -0.24 1.53 0.00 0.72 0.38 119.26 121.53 3cf0 h ALA 698 Ca -0.00 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 54.87 3cf0 h ALA 698 Cb 0.73 0.31 -0.07 0.00 0.00 0.00 0.00 17.79 18.76 3cf0 h ALA 698 CO 0.03 -0.83 -0.24 0.82 0.00 0.00 0.00 179.25 179.03 3cf0 h ILE 699 N -0.56 0.39 -0.35 0.00 2.04 -0.70 0.89 117.51 119.23 3cf0 h ILE 699 Ca -0.03 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.85 3cf0 h ILE 699 Cb 0.48 0.39 -0.02 0.00 -0.74 0.00 0.00 36.82 36.94 3cf0 h ILE 699 CO 0.01 0.00 0.23 -0.09 0.00 0.00 0.00 178.15 178.30 3cf0 h ARG 700 N -0.25 0.38 0.00 2.37 2.43 -1.26 0.46 114.38 118.50 3cf0 h ARG 700 Ca 0.14 -0.02 -0.17 0.00 -0.81 0.00 0.00 59.98 59.12 3cf0 h ARG 700 Cb 0.46 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.90 3cf0 h ARG 700 CO -0.38 0.25 -0.79 1.49 -1.51 0.00 0.00 179.97 179.03 3cf0 h GLU 701 N 0.39 0.00 0.04 0.20 4.22 0.12 -2.60 114.58 116.95 3cf0 h GLU 701 Ca 0.14 0.00 -0.00 0.00 0.08 0.00 0.00 59.36 59.58 3cf0 h GLU 701 Cb 0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.33 3cf0 h GLU 701 CO -0.03 0.79 -0.02 1.03 -2.18 0.00 0.00 179.01 178.60 3cf0 h SER 702 N 0.00 -0.05 -1.31 1.04 0.87 0.18 -3.23 113.55 111.05 3cf0 h SER 702 Ca -0.01 0.00 0.38 0.00 -1.23 0.00 0.00 61.79 60.93 3cf0 h SER 702 Cb 1.45 0.01 -0.05 0.00 -0.44 0.00 0.00 62.40 63.37 3cf0 h SER 702 CO 0.10 0.04 1.02 0.40 -0.53 0.00 0.00 176.83 177.86 3cf0 h ILE 703 N -0.20 0.24 0.48 2.23 2.04 -1.09 0.28 117.51 121.49 3cf0 h ILE 703 Ca -0.01 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.83 3cf0 h ILE 703 Cb 0.04 0.27 0.00 0.00 -0.74 0.00 0.00 36.82 36.40 3cf0 h ILE 703 CO 0.01 0.00 -0.24 -0.08 0.00 0.00 0.00 178.15 177.84 3cf0 h GLU 704 N 0.00 -0.63 -0.91 2.37 4.81 -1.56 -3.25 114.58 115.41 3cf0 h GLU 704 Ca 0.62 0.04 0.01 0.00 -0.13 0.00 0.00 59.36 59.91 3cf0 h GLU 704 Cb 2.66 0.14 -0.05 0.00 0.63 0.00 0.00 28.75 32.13 3cf0 h GLU 704 CO -0.01 -0.42 0.60 0.66 -0.73 0.00 0.00 179.01 179.12 3cf0 h SER 705 N -0.65 1.04 0.74 1.04 4.64 -0.45 -3.14 113.55 116.76 3cf0 h SER 705 Ca -0.07 -0.02 -0.04 0.00 -0.47 0.00 0.00 61.79 61.19 3cf0 h SER 705 Cb 0.50 -0.26 0.01 0.00 -0.31 0.00 0.00 62.40 62.35 3cf0 h SER 705 CO 0.10 0.74 -0.36 -0.33 -0.87 0.00 0.00 176.83 176.12 3cf0 h GLU 706 N 1.22 -0.96 0.00 4.77 5.08 -1.65 -3.53 114.58 119.51 3cf0 h GLU 706 Ca 0.34 0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.76 3cf0 h GLU 706 Cb -0.12 0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.35 3cf0 h GLU 706 CO -0.08 -0.64 0.00 -0.89 -1.00 0.00 0.00 179.01 176.40 3cf0 n ILE 707 N -4.89 0.00 0.00 3.13 2.08 -1.19 -5.17 119.36 113.32 3cf0 n ILE 707 Ca -0.12 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.19 3cf0 n ILE 707 Cb 0.39 -0.51 0.00 0.00 -0.75 0.00 0.00 39.64 38.78 3cf0 n ILE 707 CO 0.00 0.00 0.00 0.52 0.56 0.00 0.00 176.55 177.63 3cf0 n VAL 728 N -0.89 0.00 -3.32 1.39 0.31 -1.26 -5.04 118.33 109.51 3cf0 n VAL 728 Ca 0.15 0.00 -0.46 0.00 -0.01 0.00 0.00 64.34 64.01 3cf0 n VAL 728 Cb 0.07 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 32.95 3cf0 n VAL 728 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 3cf0 s PRO 729 N -0.60 3.16 -0.10 5.55 0.04 -1.26 -4.94 135.00 136.85 3cf0 s PRO 729 Ca 0.00 -1.94 -0.04 0.00 0.04 0.00 0.00 61.00 59.07 3cf0 s PRO 729 Cb 0.00 -4.33 0.05 0.00 0.04 0.00 0.00 34.50 30.26 3cf0 s PRO 729 CO 0.00 -1.32 0.20 -1.21 0.04 0.00 0.00 177.00 174.72 3cf0 s GLU 730 N 1.17 0.09 -0.28 4.56 8.01 -1.26 -4.96 118.70 126.04 3cf0 s GLU 730 Ca 0.07 0.60 -0.29 0.00 0.01 0.00 0.00 54.97 55.37 3cf0 s GLU 730 Cb -0.24 -0.17 -0.03 0.00 -4.31 0.00 0.00 34.13 29.39 3cf0 s GLU 730 CO -0.01 -0.27 1.79 -1.50 0.01 0.00 0.00 175.26 175.29 3cf0 s ILE 731 N 2.11 3.47 0.43 -1.63 -1.16 0.48 -4.72 121.20 120.18 3cf0 s ILE 731 Ca -0.00 0.50 0.06 0.00 -0.51 0.00 0.00 60.65 60.70 3cf0 s ILE 731 Cb -0.12 -3.58 -0.07 0.00 0.61 0.00 0.00 42.46 39.30 3cf0 s ILE 731 CO -0.07 -0.33 0.01 0.00 -2.81 0.00 0.00 174.94 171.74 3cf0 s ARG 732 N 5.42 2.00 0.04 3.50 1.70 -1.26 -0.95 118.95 129.41 3cf0 s ARG 732 Ca 0.80 -2.15 -0.08 0.00 -0.47 0.00 0.00 55.73 53.83 3cf0 s ARG 732 Cb -0.25 -1.63 -0.02 0.00 -0.57 0.00 0.00 34.95 32.48 3cf0 s ARG 732 CO 0.33 -0.10 0.64 -2.13 -1.08 0.00 0.00 175.30 172.96 3cf0 n ARG 733 N -1.02 -0.11 0.31 3.89 0.63 -1.26 -0.68 116.66 118.41 3cf0 n ARG 733 Ca -0.07 0.63 0.19 0.00 -0.92 0.00 0.00 57.85 57.68 3cf0 n ARG 733 Cb 0.67 -0.93 0.98 0.00 0.45 0.00 0.00 32.46 33.62 3cf0 n ARG 733 CO 0.00 0.00 0.00 0.38 -2.51 0.00 0.00 177.63 175.50 3cf0 h ASP 734 N 0.00 0.00 -0.01 6.15 2.03 -1.98 -0.36 116.42 122.25 3cf0 h ASP 734 Ca 0.04 0.00 -0.00 0.00 -0.73 0.00 0.00 57.03 56.34 3cf0 h ASP 734 Cb 0.11 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 38.61 3cf0 h ASP 734 CO -0.24 0.03 -0.01 0.45 -1.03 0.00 0.00 179.24 178.43 3cf0 h HIS 735 N 0.00 0.03 -0.88 4.15 3.86 -1.27 -0.59 115.15 120.45 3cf0 h HIS 735 Ca -0.00 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 3cf0 h HIS 735 Cb 0.17 -0.01 -0.04 0.00 1.06 0.00 0.00 27.41 28.59 3cf0 h HIS 735 CO 0.00 0.56 0.56 0.74 0.86 0.00 0.00 177.93 180.65 3cf0 h PHE 736 N -0.52 1.13 0.18 2.45 0.04 -1.26 0.11 116.94 119.07 3cf0 h PHE 736 Ca 0.00 0.01 -0.00 0.00 2.80 0.00 0.00 57.97 60.78 3cf0 h PHE 736 Cb 0.56 -0.38 -0.01 0.00 2.20 0.00 0.00 35.95 38.33 3cf0 h PHE 736 CO 0.12 0.73 -0.12 0.93 -0.60 0.00 0.00 178.31 179.37 3cf0 h GLU 737 N 1.20 -0.29 0.00 1.51 5.08 -1.06 0.10 114.58 121.12 3cf0 h GLU 737 Ca 0.32 0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.65 3cf0 h GLU 737 Cb -0.09 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 3cf0 h GLU 737 CO -0.06 -0.20 -0.23 1.49 -1.00 0.00 0.00 179.01 179.01 3cf0 h GLU 738 N -0.31 0.00 -0.47 2.33 4.22 -0.93 -2.70 114.58 116.73 3cf0 h GLU 738 Ca -0.01 0.00 -0.12 0.00 0.08 0.00 0.00 59.36 59.31 3cf0 h GLU 738 Cb 0.26 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 3cf0 h GLU 738 CO 0.00 0.23 -0.17 0.00 -2.18 0.00 0.00 179.01 176.89 3cf0 h ALA 739 N 1.77 0.65 -0.07 2.92 0.00 -0.30 -2.97 119.26 121.25 3cf0 h ALA 739 Ca -0.00 -0.37 0.02 0.00 0.00 0.00 0.00 54.91 54.56 3cf0 h ALA 739 Cb 0.71 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 3cf0 h ALA 739 CO 0.03 0.60 0.14 0.52 0.00 0.00 0.00 179.25 180.55 3cf0 h MET 740 N 0.79 0.00 0.00 0.00 2.86 -0.65 -2.35 114.93 115.58 3cf0 h MET 740 Ca 0.11 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.75 3cf0 h MET 740 Cb 0.74 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.40 3cf0 h MET 740 CO 0.06 0.00 0.00 0.54 1.06 0.00 0.00 176.91 178.57 3cf0 n ARG 741 N -3.42 0.05 -1.11 1.72 5.12 -1.12 -2.45 116.66 115.45 3cf0 n ARG 741 Ca -0.01 0.46 0.01 0.00 -1.93 0.00 0.00 57.85 56.39 3cf0 n ARG 741 Cb 0.23 -1.64 0.13 0.00 -1.16 0.00 0.00 32.46 30.02 3cf0 n ARG 741 CO 0.00 0.00 0.00 1.19 -1.93 0.00 0.00 177.63 176.89 3cf0 n PHE 742 N -1.75 0.42 -2.69 -1.55 3.01 -0.88 -5.06 117.46 108.97 3cf0 n PHE 742 Ca 0.01 -1.40 -0.42 0.00 1.01 0.00 0.00 57.45 56.65 3cf0 n PHE 742 Cb 0.07 -0.24 -0.03 0.00 -0.01 0.00 0.00 39.48 39.28 3cf0 n PHE 742 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3cf0 s ALA 743 N -2.57 3.26 0.52 4.37 0.00 -1.02 -5.01 121.76 121.30 3cf0 s ALA 743 Ca 0.38 0.50 0.07 0.00 0.00 0.00 0.00 51.96 52.90 3cf0 s ALA 743 Cb 0.38 -3.38 0.03 0.00 0.00 0.00 0.00 23.12 20.15 3cf0 s ALA 743 CO -0.08 -0.38 0.44 1.03 0.00 0.00 0.00 175.76 176.78 3cf0 s ARG 744 N 1.39 2.31 -0.13 0.00 1.81 -1.26 -5.12 118.95 117.95 3cf0 s ARG 744 Ca 0.51 -1.87 0.01 0.00 -1.72 0.00 0.00 55.73 52.66 3cf0 s ARG 744 Cb -0.20 -2.22 0.02 0.00 -0.45 0.00 0.00 34.95 32.09 3cf0 s ARG 744 CO 0.24 -0.55 -0.13 1.03 -0.68 0.00 0.00 175.30 175.21 3cf0 s ARG 745 N -4.29 2.15 0.13 3.54 0.52 -1.26 -4.89 118.95 114.85 3cf0 s ARG 745 Ca 0.41 -0.51 -0.09 0.00 -0.52 0.00 0.00 55.73 55.01 3cf0 s ARG 745 Cb -0.03 -1.96 -0.07 0.00 0.52 0.00 0.00 34.95 33.42 3cf0 s ARG 745 CO 0.25 -0.19 1.38 0.66 0.02 0.00 0.00 175.30 177.42 3cf0 h SER 746 N 7.89 0.85 -3.38 0.23 4.64 -1.97 -3.43 113.55 118.38 3cf0 h SER 746 Ca -0.35 -0.51 -0.60 0.00 -0.47 0.00 0.00 61.79 59.86 3cf0 h SER 746 Cb 1.15 -0.25 -0.11 0.00 -0.31 0.00 0.00 62.40 62.87 3cf0 h SER 746 CO 0.50 1.29 -0.36 -0.69 -0.87 0.00 0.00 176.83 176.70 3cf0 s VAL 747 N -3.88 5.31 0.25 0.95 1.01 -1.25 -5.07 120.40 117.72 3cf0 s VAL 747 Ca -0.09 0.45 -0.08 0.00 0.00 0.00 0.00 61.98 62.26 3cf0 s VAL 747 Cb 0.10 -3.60 -0.06 0.00 0.00 0.00 0.00 36.38 32.81 3cf0 s VAL 747 CO 0.88 0.36 0.54 -0.94 0.00 0.00 0.00 175.10 175.94 3cf0 s SER 748 N 0.68 6.55 0.40 3.32 1.04 -1.26 -4.80 113.70 119.63 3cf0 s SER 748 Ca 0.14 0.83 0.18 0.00 0.48 0.00 0.00 55.95 57.57 3cf0 s SER 748 Cb -0.13 -2.19 1.08 0.00 0.10 0.00 0.00 66.02 64.88 3cf0 s SER 748 CO 0.04 -0.11 1.79 -2.24 0.98 0.00 0.00 173.24 173.70 3cf0 h ASP 749 N 2.25 0.45 0.29 7.02 3.04 -1.97 -0.92 116.42 126.58 3cf0 h ASP 749 Ca -0.47 0.07 -0.01 0.00 -3.24 0.00 0.00 57.03 53.38 3cf0 h ASP 749 Cb 1.18 -0.01 -0.00 0.00 -1.04 0.00 0.00 39.33 39.46 3cf0 h ASP 749 CO 0.68 0.12 -0.17 0.78 -2.04 0.00 0.00 179.24 178.62 3cf0 h ASN 750 N 0.42 -0.41 -0.05 4.15 2.35 -1.99 0.38 115.58 120.44 3cf0 h ASN 750 Ca 0.56 0.02 0.03 0.00 -0.55 0.00 0.00 56.30 56.37 3cf0 h ASN 750 Cb 1.39 0.12 -0.04 0.00 0.05 0.00 0.00 38.32 39.84 3cf0 h ASN 750 CO -0.26 -0.27 -0.19 0.44 -1.65 0.00 0.00 177.43 175.49 3cf0 h ASP 751 N -0.44 -0.57 -0.42 5.81 3.32 -1.62 0.25 116.42 122.76 3cf0 h ASP 751 Ca -0.03 0.09 0.09 0.00 0.02 0.00 0.00 57.03 57.19 3cf0 h ASP 751 Cb 0.35 0.25 -0.09 0.00 0.22 0.00 0.00 39.33 40.06 3cf0 h ASP 751 CO 0.04 -0.25 -0.23 0.40 -1.72 0.00 0.00 179.24 177.48 3cf0 h ILE 752 N -0.28 0.35 -0.26 0.35 2.04 -1.07 0.10 117.51 118.74 3cf0 h ILE 752 Ca 0.07 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.00 3cf0 h ILE 752 Cb 0.38 0.35 -0.07 0.00 -0.74 0.00 0.00 36.82 36.74 3cf0 h ILE 752 CO -0.21 0.00 -0.27 0.03 0.00 0.00 0.00 178.15 177.70 3cf0 h ARG 753 N -0.16 -0.27 -0.95 2.37 3.08 -0.19 0.55 114.38 118.83 3cf0 h ARG 753 Ca 0.20 0.02 0.24 0.00 0.07 0.00 0.00 59.98 60.51 3cf0 h ARG 753 Cb 0.47 0.06 -0.13 0.00 0.08 0.00 0.00 29.97 30.45 3cf0 h ARG 753 CO -0.51 -0.18 0.48 0.87 -1.07 0.00 0.00 179.97 179.56 3cf0 h LYS 754 N -0.28 0.44 -0.72 0.04 1.57 0.15 -0.22 116.57 117.56 3cf0 h LYS 754 Ca 0.14 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.85 3cf0 h LYS 754 Cb 0.49 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.67 3cf0 h LYS 754 CO -0.42 0.29 0.27 1.88 -0.57 0.00 0.00 179.45 180.91 3cf0 h TYR 755 N 0.46 1.09 -0.62 -1.35 -1.99 0.14 -1.75 116.97 112.95 3cf0 h TYR 755 Ca 0.61 -0.08 -0.04 0.00 2.00 0.00 0.00 58.73 61.22 3cf0 h TYR 755 Cb 1.19 -0.33 -0.03 0.00 2.00 0.00 0.00 36.73 39.56 3cf0 h TYR 755 CO -0.08 0.83 0.21 0.93 -0.00 0.00 0.00 178.16 180.05 3cf0 h GLU 756 N 1.04 0.93 0.11 4.88 4.39 -0.58 1.74 114.58 127.09 3cf0 h GLU 756 Ca 0.24 -0.17 -0.01 0.00 0.34 0.00 0.00 59.36 59.76 3cf0 h GLU 756 Cb 0.22 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 28.72 3cf0 h GLU 756 CO -0.02 0.79 -0.05 0.52 -1.16 0.00 0.00 179.01 179.09 3cf0 h MET 757 N 0.90 -0.14 -0.21 2.33 2.86 -1.01 0.31 114.93 119.97 3cf0 h MET 757 Ca 0.21 0.01 0.04 0.00 -2.06 0.00 0.00 59.70 57.89 3cf0 h MET 757 Cb 0.24 0.03 -0.04 0.00 0.06 0.00 0.00 31.60 31.90 3cf0 h MET 757 CO -0.01 0.03 -0.03 0.74 1.06 0.00 0.00 176.91 178.70 3cf0 h PHE 758 N -0.29 -0.07 0.00 -0.22 0.05 -0.45 -2.40 116.94 113.55 3cf0 h PHE 758 Ca -0.02 0.02 -0.02 0.00 3.82 0.00 0.00 57.97 61.77 3cf0 h PHE 758 Cb 0.24 0.06 -0.00 0.00 2.00 0.00 0.00 35.95 38.25 3cf0 h PHE 758 CO -0.02 -0.07 -0.11 0.00 -0.18 0.00 0.00 178.31 177.93 3cf0 h ALA 759 N 1.20 1.40 0.27 2.45 0.00 0.29 0.18 119.26 125.04 3cf0 h ALA 759 Ca 0.10 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3cf0 h ALA 759 Cb 0.14 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3cf0 h ALA 759 CO -0.19 0.13 -0.13 0.37 0.00 0.00 0.00 179.25 179.43 3cf0 h GLN 760 N 0.00 -0.35 0.10 0.00 4.15 0.13 -2.63 115.11 116.51 3cf0 h GLN 760 Ca -0.00 0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.44 3cf0 h GLN 760 Cb 0.26 0.08 0.00 0.00 0.21 0.00 0.00 27.48 28.03 3cf0 h GLN 760 CO 0.01 -0.23 -0.05 1.79 -1.93 0.00 0.00 178.83 178.42 3cf0 h THR 761 N -0.78 0.92 -0.37 2.39 1.35 -1.49 -3.10 112.91 111.82 3cf0 h THR 761 Ca -0.04 -0.07 0.10 0.00 -0.55 0.00 0.00 66.41 65.85 3cf0 h THR 761 Cb 0.27 0.97 -0.02 0.00 -1.73 0.00 0.00 68.15 67.65 3cf0 h THR 761 CO 0.06 0.02 0.26 -0.07 -0.25 0.00 0.00 175.52 175.54 3cf0 h LEU 762 N -0.17 0.03 -1.50 3.87 3.38 -1.11 -3.52 115.31 116.28 3cf0 h LEU 762 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3cf0 h LEU 762 Cb 0.14 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 3cf0 h LEU 762 CO 0.02 0.02 0.00 0.00 0.09 0.00 0.00 178.44 178.57