#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ptm h SER 472 N 0.00 0.45 0.29 -1.12 4.64 -1.99 -1.73 113.55 114.09 2ptm h SER 472 Ca 0.00 -0.19 -0.14 0.00 -0.47 0.00 0.00 61.79 60.99 2ptm h SER 472 Cb 0.00 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 61.95 2ptm h SER 472 CO 0.00 0.79 -0.56 0.77 -0.87 0.00 0.00 176.83 176.96 2ptm h SER 473 N 0.37 0.32 -0.31 4.97 4.64 -1.95 -2.49 113.55 119.09 2ptm h SER 473 Ca 0.04 -0.17 -0.14 0.00 -0.47 0.00 0.00 61.79 61.04 2ptm h SER 473 Cb 0.82 -0.09 -0.00 0.00 -0.31 0.00 0.00 62.40 62.81 2ptm h SER 473 CO 0.07 0.81 -0.36 0.28 -0.87 0.00 0.00 176.83 176.76 2ptm h SER 474 N 0.22 0.85 -0.71 4.97 0.02 -1.69 -0.72 113.55 116.49 2ptm h SER 474 Ca 0.00 -0.49 -0.06 0.00 -0.84 0.00 0.00 61.79 60.40 2ptm h SER 474 Cb 1.05 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 63.32 2ptm h SER 474 CO 0.09 1.17 0.21 0.03 -1.14 0.00 0.00 176.83 177.19 2ptm h ARG 475 N 0.56 1.13 -0.92 3.45 3.08 -1.30 -1.93 114.38 118.44 2ptm h ARG 475 Ca 0.04 -0.25 0.06 0.00 0.07 0.00 0.00 59.98 59.91 2ptm h ARG 475 Cb 0.95 -0.16 -0.06 0.00 0.08 0.00 0.00 29.97 30.78 2ptm h ARG 475 CO 0.09 0.97 0.58 0.37 -1.07 0.00 0.00 179.97 180.91 2ptm h GLN 476 N 1.08 1.04 -0.10 0.04 5.75 -1.39 -0.19 115.11 121.34 2ptm h GLN 476 Ca 0.23 -0.06 -0.13 0.00 -0.15 0.00 0.00 58.65 58.54 2ptm h GLN 476 Cb 0.32 -0.23 0.01 0.00 1.07 0.00 0.00 27.48 28.65 2ptm h GLN 476 CO -0.00 0.69 -0.44 -0.92 -2.65 0.00 0.00 178.83 175.50 2ptm h TYR 477 N 1.07 0.64 -0.64 3.99 3.20 -1.22 -1.39 116.97 122.62 2ptm h TYR 477 Ca 0.40 -0.28 -0.05 0.00 3.14 0.00 0.00 58.73 61.94 2ptm h TYR 477 Cb 0.16 -0.10 -0.03 0.00 1.54 0.00 0.00 36.73 38.30 2ptm h TYR 477 CO -0.02 1.04 0.21 0.00 -1.64 0.00 0.00 178.16 177.75 2ptm h ARG 478 N 0.06 0.99 0.04 1.82 2.47 -1.23 0.12 114.38 118.65 2ptm h ARG 478 Ca -0.03 -0.21 0.01 0.00 -1.26 0.00 0.00 59.98 58.50 2ptm h ARG 478 Cb 1.09 -0.15 -0.04 0.00 -1.65 0.00 0.00 29.97 29.22 2ptm h ARG 478 CO 0.09 0.86 -0.41 1.49 0.56 0.00 0.00 179.97 182.57 2ptm h GLU 479 N 0.92 -0.53 -0.33 0.04 4.57 -1.00 -2.04 114.58 116.21 2ptm h GLU 479 Ca 0.21 0.04 0.07 0.00 -1.18 0.00 0.00 59.36 58.50 2ptm h GLU 479 Cb 0.28 0.12 -0.07 0.00 -0.16 0.00 0.00 28.75 28.91 2ptm h GLU 479 CO -0.01 -0.35 -0.17 -0.22 -1.18 0.00 0.00 179.01 177.08 2ptm h LYS 480 N -0.55 -0.11 -0.42 1.92 1.63 -1.00 -2.68 116.57 115.36 2ptm h LYS 480 Ca 0.00 0.01 -0.03 0.00 -0.85 0.00 0.00 60.65 59.78 2ptm h LYS 480 Cb 0.57 0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 32.20 2ptm h LYS 480 CO -0.25 -0.07 0.13 1.25 -3.45 0.00 0.00 179.45 177.05 2ptm h LEU 481 N -0.11 0.56 -0.09 5.20 5.85 -0.84 -1.56 115.31 124.32 2ptm h LEU 481 Ca 0.17 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.82 2ptm h LEU 481 Cb 0.37 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.25 2ptm h LEU 481 CO -0.40 0.54 0.06 0.11 -0.34 0.00 0.00 178.44 178.41 2ptm h LYS 482 N 0.61 0.12 0.00 1.25 6.56 -1.03 -2.21 116.57 121.87 2ptm h LYS 482 Ca 0.14 -0.01 -0.10 0.00 -1.06 0.00 0.00 60.65 59.63 2ptm h LYS 482 Cb 0.19 -0.03 -0.01 0.00 -0.57 0.00 0.00 32.23 31.81 2ptm h LYS 482 CO -0.01 0.08 -0.47 -0.56 -2.06 0.00 0.00 179.45 176.44 2ptm h GLN 483 N 0.11 0.00 -0.32 3.15 3.07 -1.35 -2.60 115.11 117.18 2ptm h GLN 483 Ca 0.03 0.00 -0.02 0.00 0.09 0.00 0.00 58.65 58.75 2ptm h GLN 483 Cb -0.01 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.54 2ptm h GLN 483 CO -0.01 0.47 0.10 0.28 0.09 0.00 0.00 178.83 179.76 2ptm h VAL 484 N 0.00 1.20 -0.05 1.86 2.07 -1.09 -1.32 116.25 118.93 2ptm h VAL 484 Ca -0.00 -0.65 -0.06 0.00 0.82 0.00 0.00 66.70 66.80 2ptm h VAL 484 Cb 0.91 1.03 -0.01 0.00 -1.52 0.00 0.00 31.29 31.71 2ptm h VAL 484 CO 0.06 0.22 -0.27 -0.33 0.02 0.00 0.00 177.57 177.27 2ptm h GLU 485 N 0.36 0.09 -0.33 1.57 5.08 -1.23 -1.41 114.58 118.70 2ptm h GLU 485 Ca 0.10 -0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 58.34 2ptm h GLU 485 Cb 0.24 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 2ptm h GLU 485 CO -0.00 0.35 -0.16 0.93 -1.00 0.00 0.00 179.01 179.13 2ptm h GLU 486 N 0.08 0.69 -0.20 2.33 5.08 -1.23 -2.33 114.58 119.00 2ptm h GLU 486 Ca 0.01 -0.31 -0.01 0.00 -1.00 0.00 0.00 59.36 58.05 2ptm h GLU 486 Cb 0.52 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 2ptm h GLU 486 CO 0.04 0.90 0.08 -0.92 -1.00 0.00 0.00 179.01 178.11 2ptm h TYR 487 N 0.46 0.31 0.00 4.33 3.20 -0.84 -1.98 116.97 122.45 2ptm h TYR 487 Ca 0.07 -0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.91 2ptm h TYR 487 Cb 0.70 -0.09 -0.00 0.00 1.54 0.00 0.00 36.73 38.88 2ptm h TYR 487 CO 0.06 0.35 -0.02 0.52 -1.64 0.00 0.00 178.16 177.43 2ptm h MET 488 N 0.18 0.00 -0.12 1.82 2.86 -1.26 -1.06 114.93 117.34 2ptm h MET 488 Ca 0.07 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.62 2ptm h MET 488 Cb 0.18 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.84 2ptm h MET 488 CO -0.01 0.02 -0.26 0.37 1.06 0.00 0.00 176.91 178.09 2ptm h GLN 489 N 0.00 0.39 -0.09 1.72 5.75 -1.05 -1.76 115.11 120.06 2ptm h GLN 489 Ca -0.00 -0.26 -0.05 0.00 -0.15 0.00 0.00 58.65 58.19 2ptm h GLN 489 Cb 0.04 0.04 -0.01 0.00 1.07 0.00 0.00 27.48 28.62 2ptm h GLN 489 CO 0.00 0.86 -0.17 1.88 -2.65 0.00 0.00 178.83 178.75 2ptm h TYR 490 N -0.03 0.15 -0.01 3.99 0.05 -0.58 -1.87 116.97 118.67 2ptm h TYR 490 Ca 0.00 -0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.76 2ptm h TYR 490 Cb 0.86 -0.04 0.00 0.00 1.01 0.00 0.00 36.73 38.56 2ptm h TYR 490 CO 0.11 0.32 -0.13 0.54 -1.05 0.00 0.00 178.16 177.95 2ptm n ARG 491 N -4.27 1.13 -4.11 4.88 5.12 -0.49 -4.94 116.66 113.99 2ptm n ARG 491 Ca -0.01 -0.61 -0.33 0.00 -1.93 0.00 0.00 57.85 54.97 2ptm n ARG 491 Cb 0.28 -1.49 -0.02 0.00 -1.16 0.00 0.00 32.46 30.07 2ptm n ARG 491 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 2ptm n LYS 492 N -0.40 -3.51 -1.75 5.56 4.76 -0.70 -4.88 118.16 117.24 2ptm n LYS 492 Ca 0.15 0.41 -0.39 0.00 -2.87 0.00 0.00 58.31 55.61 2ptm n LYS 492 Cb 0.33 -4.99 0.03 0.00 -1.84 0.00 0.00 35.03 28.56 2ptm n LYS 492 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2ptm n LEU 493 N -4.43 5.39 -4.73 -0.35 4.77 -0.73 -4.95 117.00 111.97 2ptm n LEU 493 Ca -0.03 1.03 -0.36 0.00 -0.03 0.00 0.00 56.01 56.62 2ptm n LEU 493 Cb 0.55 -1.59 0.07 0.00 -2.33 0.00 0.00 43.42 40.12 2ptm n LEU 493 CO 0.82 -0.44 0.85 -2.84 -1.33 0.00 0.00 177.39 174.44 2ptm s PRO 494 N -2.74 2.47 0.32 3.23 0.02 -1.26 -4.76 135.00 132.29 2ptm s PRO 494 Ca 0.68 1.88 0.02 0.00 0.02 0.00 0.00 61.00 63.60 2ptm s PRO 494 Cb -0.43 -1.86 0.59 0.00 0.02 0.00 0.00 34.50 32.82 2ptm s PRO 494 CO 0.52 -1.61 1.94 0.66 -0.33 0.00 0.00 177.00 178.18 2ptm h SER 495 N 0.27 0.83 -0.59 2.53 4.64 -1.99 -1.35 113.55 117.88 2ptm h SER 495 Ca -0.49 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 60.85 2ptm h SER 495 Cb 1.31 -0.18 -0.03 0.00 -0.31 0.00 0.00 62.40 63.19 2ptm h SER 495 CO 0.52 0.55 0.39 1.12 -0.87 0.00 0.00 176.83 178.54 2ptm h HIS 496 N 0.95 0.71 0.16 4.77 2.07 -1.99 0.03 115.15 121.86 2ptm h HIS 496 Ca 0.35 0.02 -0.31 0.00 -2.85 0.00 0.00 60.37 57.57 2ptm h HIS 496 Cb 0.16 -0.24 0.01 0.00 2.57 0.00 0.00 27.41 29.91 2ptm h HIS 496 CO -0.00 0.43 -1.49 1.25 -3.07 0.00 0.00 177.93 175.05 2ptm h LEU 497 N 0.75 0.53 -0.53 6.12 5.85 -1.68 -2.14 115.31 124.20 2ptm h LEU 497 Ca 0.23 -0.66 0.01 0.00 0.84 0.00 0.00 57.88 58.30 2ptm h LEU 497 Cb -0.00 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 40.82 2ptm h LEU 497 CO -0.06 1.53 0.34 0.03 -0.34 0.00 0.00 178.44 179.95 2ptm h ARG 498 N 0.09 0.67 -0.29 1.25 3.08 -0.99 -1.56 114.38 116.64 2ptm h ARG 498 Ca -0.24 -0.04 -0.08 0.00 0.07 0.00 0.00 59.98 59.69 2ptm h ARG 498 Cb 2.05 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 31.94 2ptm h ARG 498 CO 0.20 0.45 -0.17 -0.91 -1.07 0.00 0.00 179.97 178.47 2ptm h ASN 499 N 0.69 0.50 -0.50 7.04 2.35 -1.03 -0.99 115.58 123.65 2ptm h ASN 499 Ca 0.20 -0.14 -0.02 0.00 -0.55 0.00 0.00 56.30 55.79 2ptm h ASN 499 Cb -0.05 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.17 2ptm h ASN 499 CO -0.06 0.68 0.23 0.50 -1.65 0.00 0.00 177.43 177.13 2ptm h LYS 500 N 0.46 0.72 -0.18 0.81 3.64 -0.97 -0.34 116.57 120.72 2ptm h LYS 500 Ca 0.08 -0.11 -0.03 0.00 -1.27 0.00 0.00 60.65 59.32 2ptm h LYS 500 Cb 0.56 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.24 2ptm h LYS 500 CO 0.04 0.61 -0.01 0.82 -2.27 0.00 0.00 179.45 178.64 2ptm h ILE 501 N 0.66 1.26 -0.69 2.00 2.04 -1.00 -0.92 117.51 120.85 2ptm h ILE 501 Ca 0.17 -0.89 -0.01 0.00 1.00 0.00 0.00 64.86 65.13 2ptm h ILE 501 Cb 0.13 1.50 -0.03 0.00 -0.74 0.00 0.00 36.82 37.68 2ptm h ILE 501 CO -0.02 0.27 0.37 -0.07 0.00 0.00 0.00 178.15 178.70 2ptm h LEU 502 N 0.06 0.87 -1.14 1.44 3.38 -1.13 -1.52 115.31 117.27 2ptm h LEU 502 Ca 0.05 -0.10 0.01 0.00 0.09 0.00 0.00 57.88 57.93 2ptm h LEU 502 Cb 0.40 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.89 2ptm h LEU 502 CO 0.01 0.72 0.58 0.44 0.09 0.00 0.00 178.44 180.28 2ptm h ASP 503 N 0.95 1.00 -0.12 -0.43 3.32 -0.97 -1.45 116.42 118.72 2ptm h ASP 503 Ca 0.24 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.26 2ptm h ASP 503 Cb 0.05 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.34 2ptm h ASP 503 CO -0.04 0.72 0.05 0.22 -1.72 0.00 0.00 179.24 178.47 2ptm h TYR 504 N 1.18 0.19 -0.74 4.55 3.20 -0.57 0.17 116.97 124.94 2ptm h TYR 504 Ca 0.33 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.16 2ptm h TYR 504 Cb -0.11 -0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.07 2ptm h TYR 504 CO -0.00 0.28 0.37 1.88 -1.64 0.00 0.00 178.16 179.05 2ptm h TYR 505 N 0.05 1.06 -0.31 -3.82 -1.99 -1.03 0.65 116.97 111.58 2ptm h TYR 505 Ca 0.04 -0.04 -0.03 0.00 2.00 0.00 0.00 58.73 60.70 2ptm h TYR 505 Cb 0.17 -0.33 -0.01 0.00 2.00 0.00 0.00 36.73 38.55 2ptm h TYR 505 CO -0.02 0.77 0.08 1.49 -0.00 0.00 0.00 178.16 180.48 2ptm h GLU 506 N 1.04 0.49 -0.26 4.88 4.81 -1.19 -0.83 114.58 123.51 2ptm h GLU 506 Ca 0.26 -0.11 -0.03 0.00 -0.13 0.00 0.00 59.36 59.34 2ptm h GLU 506 Cb 0.09 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 2ptm h GLU 506 CO -0.04 0.55 0.03 -0.92 -0.73 0.00 0.00 179.01 177.91 2ptm h TYR 507 N 0.33 0.46 -0.05 0.92 3.20 -0.61 -0.20 116.97 121.03 2ptm h TYR 507 Ca 0.10 -0.07 -0.08 0.00 3.14 0.00 0.00 58.73 61.82 2ptm h TYR 507 Cb 0.28 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 38.43 2ptm h TYR 507 CO 0.01 0.55 -0.29 -0.09 -1.64 0.00 0.00 178.16 176.71 2ptm h ARG 508 N 0.24 0.29 0.00 1.82 2.43 -0.87 -3.38 114.38 114.91 2ptm h ARG 508 Ca 0.08 -0.24 -0.15 0.00 -0.81 0.00 0.00 59.98 58.86 2ptm h ARG 508 Cb 0.35 0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.92 2ptm h ARG 508 CO 0.01 0.89 -2.10 0.66 -1.51 0.00 0.00 179.97 177.92 2ptm n TYR 509 N -4.46 0.00 -3.47 2.20 4.01 -0.32 -5.00 117.16 110.12 2ptm n TYR 509 Ca -0.09 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.40 2ptm n TYR 509 Cb 0.49 -0.67 0.02 0.00 -0.31 0.00 0.00 39.34 38.87 2ptm n TYR 509 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2ptm n ARG 510 N -2.43 -4.88 -0.56 -0.72 5.12 -0.09 -2.06 116.66 111.04 2ptm n ARG 510 Ca -0.16 0.66 0.00 0.00 -1.93 0.00 0.00 57.85 56.43 2ptm n ARG 510 Cb 0.79 -5.50 0.00 0.00 -1.16 0.00 0.00 32.46 26.58 2ptm n ARG 510 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2ptm n GLY 511 N -1.51 0.74 2.92 -0.13 0.00 -1.26 -5.03 105.19 100.92 2ptm n GLY 511 Ca -0.02 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.86 2ptm n GLY 511 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ptm s LYS 512 N -0.44 0.09 -0.32 1.61 1.02 -0.87 -4.24 119.74 116.58 2ptm s LYS 512 Ca 0.00 0.39 0.03 0.00 0.02 0.00 0.00 55.97 56.41 2ptm s LYS 512 Cb 0.00 -0.19 0.09 0.00 -0.52 0.00 0.00 37.83 37.21 2ptm s LYS 512 CO 0.00 -0.18 0.03 -1.64 -0.92 0.00 0.00 175.35 172.64 2ptm s MET 513 N 1.28 1.50 0.00 1.68 -1.94 -0.30 -4.75 119.30 116.77 2ptm s MET 513 Ca -0.08 -1.68 0.00 0.00 -1.71 0.00 0.00 55.69 52.22 2ptm s MET 513 Cb -0.12 -3.00 0.00 0.00 2.01 0.00 0.00 34.83 33.72 2ptm s MET 513 CO -0.06 -0.88 0.00 1.19 -0.01 0.00 0.00 175.02 175.26 2ptm n PHE 514 N 4.36 0.00 0.05 -0.03 3.01 -1.26 -4.63 117.46 118.95 2ptm n PHE 514 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 2ptm n PHE 514 Cb 0.42 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.89 2ptm n PHE 514 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 2ptm n ASP 515 N 0.00 0.28 0.00 4.37 -0.08 -1.26 -5.02 116.55 114.84 2ptm n ASP 515 Ca 0.00 0.16 0.00 0.00 -1.51 0.00 0.00 54.79 53.44 2ptm n ASP 515 Cb 0.00 -0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 2ptm n ASP 515 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53 2ptm n GLU 516 N -3.15 0.00 -0.31 -0.67 2.13 -1.26 -4.58 120.64 112.80 2ptm n GLU 516 Ca 0.00 0.00 -0.03 0.00 0.66 0.00 0.00 57.16 57.79 2ptm n GLU 516 Cb 0.14 -0.08 0.13 0.00 0.27 0.00 0.00 31.44 31.89 2ptm n GLU 516 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2ptm h ARG 517 N 0.00 1.20 -0.07 5.31 3.08 -1.99 0.29 114.38 122.21 2ptm h ARG 517 Ca 0.00 -0.12 -0.03 0.00 0.07 0.00 0.00 59.98 59.91 2ptm h ARG 517 Cb 0.00 -0.25 -0.00 0.00 0.08 0.00 0.00 29.97 29.80 2ptm h ARG 517 CO 0.00 0.85 -0.06 1.12 -1.07 0.00 0.00 179.97 180.82 2ptm h HIS 518 N 1.22 0.19 0.30 3.04 2.07 -2.00 -2.76 115.15 117.21 2ptm h HIS 518 Ca 0.31 -0.05 -0.01 0.00 -2.85 0.00 0.00 60.37 57.77 2ptm h HIS 518 Cb -0.02 -0.04 0.00 0.00 2.57 0.00 0.00 27.41 29.92 2ptm h HIS 518 CO 0.01 0.59 -0.14 0.82 -3.07 0.00 0.00 177.93 176.13 2ptm h ILE 519 N -0.26 0.71 -1.01 6.12 2.04 -1.88 -2.27 117.51 120.96 2ptm h ILE 519 Ca 0.01 -0.00 0.24 0.00 1.00 0.00 0.00 64.86 66.11 2ptm h ILE 519 Cb 0.55 0.71 -0.12 0.00 -0.74 0.00 0.00 36.82 37.22 2ptm h ILE 519 CO 0.01 0.00 0.61 -0.26 0.00 0.00 0.00 178.15 178.51 2ptm h PHE 520 N -0.40 0.97 0.00 1.37 -1.00 -0.49 -0.43 116.94 116.95 2ptm h PHE 520 Ca -0.04 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.77 2ptm h PHE 520 Cb 0.31 -0.28 0.00 0.00 3.61 0.00 0.00 35.95 39.59 2ptm h PHE 520 CO -0.06 0.09 0.00 0.00 -1.61 0.00 0.00 178.31 176.73 2ptm h ARG 521 N 0.58 0.00 -0.00 1.51 3.08 -1.12 -3.02 114.38 115.41 2ptm h ARG 521 Ca 0.63 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.68 2ptm h ARG 521 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.27 2ptm h ARG 521 CO -0.43 0.00 -0.20 0.39 -1.07 0.00 0.00 179.97 178.66 2ptm n GLU 522 N -2.96 0.45 -4.51 0.04 1.02 -0.18 -4.94 120.64 109.56 2ptm n GLU 522 Ca 0.03 -0.18 -0.30 0.00 -0.02 0.00 0.00 57.16 56.68 2ptm n GLU 522 Cb 0.43 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.29 2ptm n GLU 522 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 2ptm s VAL 523 N -2.68 1.44 0.77 2.62 -7.23 -1.14 -5.10 120.40 109.08 2ptm s VAL 523 Ca 0.22 -1.86 -0.11 0.00 -1.81 0.00 0.00 61.98 58.41 2ptm s VAL 523 Cb 0.19 -2.30 0.06 0.00 0.56 0.00 0.00 36.38 34.88 2ptm s VAL 523 CO 0.54 0.00 1.09 -0.94 -0.31 0.00 0.00 175.10 175.48 2ptm s SER 524 N -3.95 4.72 0.35 4.85 1.04 -1.26 -4.89 113.70 114.56 2ptm s SER 524 Ca 0.17 1.31 0.03 0.00 0.48 0.00 0.00 55.95 57.94 2ptm s SER 524 Cb 0.02 -2.07 0.63 0.00 0.10 0.00 0.00 66.02 64.70 2ptm s SER 524 CO 0.10 -1.82 1.98 -0.08 0.98 0.00 0.00 173.24 174.40 2ptm h GLU 525 N -0.99 0.77 -0.31 4.02 4.81 -1.99 -1.63 114.58 119.27 2ptm h GLU 525 Ca -0.46 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 58.69 2ptm h GLU 525 Cb 1.26 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 30.46 2ptm h GLU 525 CO 0.60 0.55 0.15 0.77 -0.73 0.00 0.00 179.01 180.34 2ptm h SER 526 N 0.78 0.40 -0.78 1.04 0.02 -1.99 -0.51 113.55 112.52 2ptm h SER 526 Ca 0.20 -0.13 -0.00 0.00 -0.84 0.00 0.00 61.79 61.02 2ptm h SER 526 Cb -0.01 -0.10 -0.04 0.00 0.14 0.00 0.00 62.40 62.39 2ptm h SER 526 CO -0.04 0.42 0.48 0.40 -1.14 0.00 0.00 176.83 176.95 2ptm h ILE 527 N 0.36 1.22 -0.89 3.27 2.04 -1.86 0.42 117.51 122.07 2ptm h ILE 527 Ca 0.11 -0.47 -0.00 0.00 1.00 0.00 0.00 64.86 65.49 2ptm h ILE 527 Cb 0.13 0.12 -0.04 0.00 -0.74 0.00 0.00 36.82 36.28 2ptm h ILE 527 CO -0.01 0.23 0.55 0.03 0.00 0.00 0.00 178.15 178.94 2ptm h ARG 528 N 1.07 1.20 -0.26 2.37 3.08 -0.95 0.14 114.38 121.03 2ptm h ARG 528 Ca 0.28 -0.10 -0.11 0.00 0.07 0.00 0.00 59.98 60.12 2ptm h ARG 528 Cb -0.05 -0.26 -0.00 0.00 0.08 0.00 0.00 29.97 29.74 2ptm h ARG 528 CO -0.05 0.83 -0.28 1.96 -1.07 0.00 0.00 179.97 181.35 2ptm h GLN 529 N 1.22 0.64 -0.49 0.04 4.20 -0.67 -1.09 115.11 118.96 2ptm h GLN 529 Ca 0.32 -0.35 -0.00 0.00 0.06 0.00 0.00 58.65 58.68 2ptm h GLN 529 Cb -0.07 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.70 2ptm h GLN 529 CO -0.06 0.95 0.29 -0.44 -0.67 0.00 0.00 178.83 178.90 2ptm h ASP 530 N 0.36 0.59 -0.29 1.46 3.32 -0.48 0.60 116.42 121.98 2ptm h ASP 530 Ca 0.04 -0.06 -0.09 0.00 0.02 0.00 0.00 57.03 56.93 2ptm h ASP 530 Cb 0.85 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.24 2ptm h ASP 530 CO 0.07 0.48 -0.19 0.58 -1.72 0.00 0.00 179.24 178.46 2ptm h VAL 531 N 0.65 1.30 -0.70 -1.35 2.07 -0.73 -1.58 116.25 115.91 2ptm h VAL 531 Ca 0.17 -1.32 -0.06 0.00 0.82 0.00 0.00 66.70 66.31 2ptm h VAL 531 Cb 0.00 1.53 -0.03 0.00 -1.52 0.00 0.00 31.29 31.27 2ptm h VAL 531 CO -0.03 0.42 0.19 0.00 0.02 0.00 0.00 177.57 178.17 2ptm h ALA 532 N 0.73 0.92 -0.84 1.67 0.00 -1.06 -0.78 119.26 119.91 2ptm h ALA 532 Ca 0.06 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 2ptm h ALA 532 Cb 0.73 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 2ptm h ALA 532 CO 0.05 0.63 0.46 -0.91 0.00 0.00 0.00 179.25 179.48 2ptm h ASN 533 N 1.04 1.05 -0.13 0.00 2.35 -0.80 -1.15 115.58 117.94 2ptm h ASN 533 Ca 0.22 -0.10 -0.06 0.00 -0.55 0.00 0.00 56.30 55.82 2ptm h ASN 533 Cb 0.34 -0.27 -0.00 0.00 0.05 0.00 0.00 38.32 38.45 2ptm h ASN 533 CO -0.00 0.85 -0.14 0.22 -1.65 0.00 0.00 177.43 176.71 2ptm h TYR 534 N 1.16 0.39 0.00 1.19 3.20 -0.91 -1.94 116.97 120.07 2ptm h TYR 534 Ca 0.29 -0.12 -0.04 0.00 3.14 0.00 0.00 58.73 62.01 2ptm h TYR 534 Cb 0.03 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.22 2ptm h TYR 534 CO 0.01 0.73 -0.18 -0.91 -1.64 0.00 0.00 178.16 176.17 2ptm h ASN 535 N -0.06 0.00 -0.73 -2.11 2.35 -1.07 -2.56 115.58 111.40 2ptm h ASN 535 Ca 0.02 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 2ptm h ASN 535 Cb 0.67 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.04 2ptm h ASN 535 CO 0.03 0.18 0.00 0.00 -1.65 0.00 0.00 177.43 175.99 2ptm h ARG 537 N 4.26 0.04 -0.68 0.00 0.11 -0.91 -0.33 114.38 116.87 2ptm h ARG 537 Ca 0.00 -0.00 -0.04 0.00 0.10 0.00 0.00 59.98 60.03 2ptm h ARG 537 Cb 1.03 -0.01 -0.03 0.00 1.11 0.00 0.00 29.97 32.07 2ptm h ARG 537 CO 0.02 0.03 0.26 -0.44 0.10 0.00 0.00 179.97 179.93 2ptm h ASP 538 N 0.05 0.95 -0.17 0.08 3.32 -1.82 -1.24 116.42 117.58 2ptm h ASP 538 Ca 0.11 -0.18 -0.00 0.00 0.02 0.00 0.00 57.03 56.98 2ptm h ASP 538 Cb 0.16 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 2ptm h ASP 538 CO -0.21 0.88 0.09 0.25 -1.72 0.00 0.00 179.24 178.53 2ptm h LEU 539 N 0.97 0.22 -0.79 1.55 5.85 -1.79 -1.66 115.31 119.66 2ptm h LEU 539 Ca 0.22 -0.09 0.01 0.00 0.84 0.00 0.00 57.88 58.86 2ptm h LEU 539 Cb 0.23 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.17 2ptm h LEU 539 CO -0.02 0.25 0.52 0.58 -0.34 0.00 0.00 178.44 179.44 2ptm h VAL 540 N 0.17 1.20 -0.02 1.05 2.07 -0.83 -1.11 116.25 118.78 2ptm h VAL 540 Ca 0.06 -0.37 -0.04 0.00 0.82 0.00 0.00 66.70 67.17 2ptm h VAL 540 Cb 0.08 0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 29.89 2ptm h VAL 540 CO -0.01 0.20 -0.18 0.00 0.02 0.00 0.00 177.57 177.60 2ptm h ALA 541 N 1.29 1.66 0.00 1.67 0.00 -1.07 -3.02 119.26 119.80 2ptm h ALA 541 Ca 0.29 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2ptm h ALA 541 Cb -0.12 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.63 2ptm h ALA 541 CO -0.06 0.25 -0.62 0.66 0.00 0.00 0.00 179.25 179.49 2ptm h SER 542 N 0.03 0.00 -3.18 0.00 4.64 -0.26 -3.44 113.55 111.35 2ptm h SER 542 Ca 0.01 -0.02 -0.66 0.00 -0.47 0.00 0.00 61.79 60.65 2ptm h SER 542 Cb 0.34 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 62.27 2ptm h SER 542 CO 0.02 0.01 0.26 -0.69 -0.87 0.00 0.00 176.83 175.57 2ptm s VAL 543 N -3.29 4.67 0.54 0.95 1.01 -0.62 -4.40 120.40 119.25 2ptm s VAL 543 Ca 0.03 -0.24 0.26 0.00 0.00 0.00 0.00 61.98 62.03 2ptm s VAL 543 Cb 0.09 -4.42 0.39 0.00 0.00 0.00 0.00 36.38 32.44 2ptm s VAL 543 CO 0.74 -0.97 1.99 -0.65 0.00 0.00 0.00 175.10 176.21 2ptm h PRO 544 N 9.15 0.00 -0.99 2.72 0.11 -1.85 -0.33 132.00 140.82 2ptm h PRO 544 Ca -0.27 0.00 0.23 0.00 0.11 0.00 0.00 66.00 66.07 2ptm h PRO 544 Cb 1.09 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.11 2ptm h PRO 544 CO 1.03 0.00 0.64 0.35 -0.21 0.00 0.00 178.00 179.81 2ptm h PHE 545 N 0.00 0.67 -0.00 0.65 3.57 -1.91 -0.45 116.94 119.47 2ptm h PHE 545 Ca 0.24 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.76 2ptm h PHE 545 Cb 1.00 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 39.54 2ptm h PHE 545 CO 0.00 0.12 -0.08 1.19 -2.23 0.00 0.00 178.31 177.31 2ptm n PHE 546 N -4.59 0.00 -1.97 0.41 3.72 -0.13 -4.74 117.46 110.16 2ptm n PHE 546 Ca 0.23 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.20 2ptm n PHE 546 Cb 0.77 -0.17 -0.03 0.00 -0.94 0.00 0.00 39.48 39.11 2ptm n PHE 546 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 176.76 176.85 2ptm s VAL 547 N -2.42 3.46 0.00 -4.37 -7.23 -0.18 -2.12 120.40 107.54 2ptm s VAL 547 Ca 0.31 0.62 0.00 0.00 -1.81 0.00 0.00 61.98 61.10 2ptm s VAL 547 Cb 0.20 -3.40 0.00 0.00 0.56 0.00 0.00 36.38 33.74 2ptm s VAL 547 CO 0.46 -0.05 0.00 0.61 -0.31 0.00 0.00 175.10 175.81 2ptm n GLY 548 N 4.14 0.85 3.73 2.32 0.00 -1.26 -5.00 105.19 109.96 2ptm n GLY 548 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 2ptm n GLY 548 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ptm s ALA 549 N -3.51 2.05 0.20 4.61 0.00 -0.90 -4.95 121.76 119.27 2ptm s ALA 549 Ca 0.00 0.68 -0.31 0.00 0.00 0.00 0.00 51.96 52.33 2ptm s ALA 549 Cb 0.00 -3.41 -0.10 0.00 0.00 0.00 0.00 23.12 19.61 2ptm s ALA 549 CO 0.00 -1.96 1.52 0.34 0.00 0.00 0.00 175.76 175.66 2ptm s ASP 550 N -2.46 6.60 0.40 0.00 -1.08 -1.26 -4.90 116.67 113.98 2ptm s ASP 550 Ca 0.70 2.65 0.15 0.00 -0.52 0.00 0.00 52.55 55.52 2ptm s ASP 550 Cb -0.25 -2.61 1.00 0.00 -1.46 0.00 0.00 42.92 39.61 2ptm s ASP 550 CO 0.49 -0.78 1.86 0.28 0.52 0.00 0.00 175.17 177.54 2ptm h SER 551 N 6.06 0.48 0.04 -0.34 0.02 -1.98 0.22 113.55 118.06 2ptm h SER 551 Ca -0.44 0.04 -0.11 0.00 -0.84 0.00 0.00 61.79 60.44 2ptm h SER 551 Cb 1.21 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.69 2ptm h SER 551 CO 0.86 0.21 -0.35 0.78 -1.14 0.00 0.00 176.83 177.18 2ptm h ASN 552 N 0.49 0.44 0.25 3.07 2.35 -1.99 -0.86 115.58 119.34 2ptm h ASN 552 Ca 0.46 -0.18 -0.01 0.00 -0.55 0.00 0.00 56.30 56.02 2ptm h ASN 552 Cb 1.02 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 39.27 2ptm h ASN 552 CO -0.19 0.77 -0.12 0.15 -1.65 0.00 0.00 177.43 176.38 2ptm h PHE 553 N 0.36 -0.31 -0.49 1.19 3.57 -1.35 -1.63 116.94 118.28 2ptm h PHE 553 Ca 0.04 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.57 2ptm h PHE 553 Cb 0.79 0.10 -0.04 0.00 2.79 0.00 0.00 35.95 39.60 2ptm h PHE 553 CO 0.02 -0.09 0.27 0.28 -2.23 0.00 0.00 178.31 176.56 2ptm h VAL 554 N -0.48 1.00 -0.69 1.41 2.07 -1.26 -1.59 116.25 116.71 2ptm h VAL 554 Ca -0.03 -0.18 0.01 0.00 0.82 0.00 0.00 66.70 67.31 2ptm h VAL 554 Cb 0.36 0.42 -0.03 0.00 -1.52 0.00 0.00 31.29 30.52 2ptm h VAL 554 CO 0.06 0.10 0.45 0.74 0.02 0.00 0.00 177.57 178.93 2ptm h THR 555 N 0.53 1.18 -0.27 2.57 2.02 -1.15 -1.58 112.91 116.21 2ptm h THR 555 Ca 0.21 -0.34 -0.00 0.00 0.77 0.00 0.00 66.41 67.05 2ptm h THR 555 Cb 0.08 0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 66.65 2ptm h THR 555 CO -0.13 0.18 0.17 -0.09 0.37 0.00 0.00 175.52 176.02 2ptm h ARG 556 N 0.93 0.36 0.30 6.66 9.65 -0.82 -2.53 114.38 128.94 2ptm h ARG 556 Ca 0.25 -0.03 -0.01 0.00 -1.10 0.00 0.00 59.98 59.09 2ptm h ARG 556 Cb -0.10 -0.08 0.00 0.00 -1.39 0.00 0.00 29.97 28.41 2ptm h ARG 556 CO -0.05 0.27 -0.15 0.28 2.80 0.00 0.00 179.97 183.12 2ptm h VAL 557 N 0.35 0.72 0.00 0.20 2.07 -1.05 -2.99 116.25 115.54 2ptm h VAL 557 Ca 0.10 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.47 2ptm h VAL 557 Cb -0.00 0.80 -0.00 0.00 -1.52 0.00 0.00 31.29 30.56 2ptm h VAL 557 CO -0.02 0.03 -0.06 -0.37 0.02 0.00 0.00 177.57 177.17 2ptm h VAL 558 N -0.48 0.85 0.00 2.57 -1.51 -1.25 0.10 116.25 116.54 2ptm h VAL 558 Ca -0.04 -0.21 0.00 0.00 -1.23 0.00 0.00 66.70 65.21 2ptm h VAL 558 Cb 0.36 1.12 0.00 0.00 -2.13 0.00 0.00 31.29 30.64 2ptm h VAL 558 CO 0.07 0.06 0.00 0.35 -1.23 0.00 0.00 177.57 176.82 2ptm n THR 559 N -4.19 0.61 0.71 7.19 -2.24 -0.96 -3.40 114.28 112.01 2ptm n THR 559 Ca -0.03 -0.15 0.07 0.00 -2.27 0.00 0.00 64.05 61.68 2ptm n THR 559 Cb 0.14 -0.71 -0.08 0.00 -2.10 0.00 0.00 70.33 67.58 2ptm n THR 559 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2ptm n LEU 560 N -2.20 0.77 -4.76 3.22 4.77 0.27 -5.01 117.00 114.06 2ptm n LEU 560 Ca 0.05 -0.52 -0.38 0.00 -0.03 0.00 0.00 56.01 55.13 2ptm n LEU 560 Cb 0.38 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.47 2ptm n LEU 560 CO 0.28 0.19 0.91 -0.76 -1.33 0.00 0.00 177.39 176.67 2ptm s LEU 561 N -2.67 4.02 -0.14 2.23 1.43 -0.70 -4.78 118.68 118.06 2ptm s LEU 561 Ca 0.06 2.52 0.00 0.00 -1.03 0.00 0.00 54.13 55.69 2ptm s LEU 561 Cb 0.12 -4.16 -0.01 0.00 0.03 0.00 0.00 46.19 42.16 2ptm s LEU 561 CO 0.61 -1.08 -0.15 -1.61 0.23 0.00 0.00 176.35 174.35 2ptm s GLU 562 N -2.64 3.28 0.15 1.70 0.41 -0.11 -4.89 118.70 116.61 2ptm s GLU 562 Ca 0.64 -0.73 -0.30 0.00 -0.41 0.00 0.00 54.97 54.17 2ptm s GLU 562 Cb -0.34 -2.61 -0.08 0.00 -1.78 0.00 0.00 34.13 29.32 2ptm s GLU 562 CO 0.42 0.12 1.25 0.12 -0.49 0.00 0.00 175.26 176.68 2ptm s PHE 563 N 0.57 3.36 0.02 1.61 5.36 -1.26 -0.59 117.98 127.05 2ptm s PHE 563 Ca -0.09 1.28 0.01 0.00 -0.96 0.00 0.00 56.93 57.17 2ptm s PHE 563 Cb -0.16 -3.51 -0.02 0.00 -0.34 0.00 0.00 43.02 39.00 2ptm s PHE 563 CO 0.03 -1.57 -0.04 -1.21 -1.46 0.00 0.00 175.22 170.97 2ptm s GLU 564 N 0.25 0.34 -0.04 10.12 2.02 0.17 -4.93 118.70 126.63 2ptm s GLU 564 Ca 0.57 -0.49 0.05 0.00 0.02 0.00 0.00 54.97 55.11 2ptm s GLU 564 Cb -0.34 -0.11 -0.01 0.00 0.10 0.00 0.00 34.13 33.78 2ptm s GLU 564 CO 0.35 0.01 -0.19 0.08 0.02 0.00 0.00 175.26 175.53 2ptm s VAL 565 N -1.00 1.53 0.24 2.63 1.01 -1.26 -0.59 120.40 122.96 2ptm s VAL 565 Ca -0.09 -0.79 0.07 0.00 0.00 0.00 0.00 61.98 61.17 2ptm s VAL 565 Cb -0.07 -1.30 -0.05 0.00 0.00 0.00 0.00 36.38 34.96 2ptm s VAL 565 CO -0.00 0.44 -0.11 -0.36 0.00 0.00 0.00 175.10 175.07 2ptm s PHE 566 N -0.14 1.81 0.27 5.22 0.08 -0.19 -5.00 117.98 120.03 2ptm s PHE 566 Ca -0.00 -0.63 0.09 0.00 0.12 0.00 0.00 56.93 56.51 2ptm s PHE 566 Cb -0.10 -0.92 -0.04 0.00 -0.57 0.00 0.00 43.02 41.38 2ptm s PHE 566 CO 0.01 0.32 0.03 -0.65 -0.10 0.00 0.00 175.22 174.83 2ptm s GLN 567 N -3.68 2.35 0.18 0.44 -0.21 -1.26 -0.92 119.66 116.56 2ptm s GLN 567 Ca 0.26 -1.41 -0.32 0.00 0.02 0.00 0.00 55.36 53.90 2ptm s GLN 567 Cb 0.01 -2.19 -0.15 0.00 1.00 0.00 0.00 33.01 31.68 2ptm s GLN 567 CO 0.09 0.34 1.20 -2.30 -2.12 0.00 0.00 175.29 172.49 2ptm n PRO 568 N -0.95 1.30 -0.56 2.91 -0.02 -1.21 -1.34 135.00 135.14 2ptm n PRO 568 Ca -0.06 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 61.88 2ptm n PRO 568 Cb 0.59 -1.98 0.00 0.00 -0.02 0.00 0.00 33.50 32.09 2ptm n PRO 568 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2ptm n ALA 569 N 1.54 0.00 -1.85 3.55 0.00 0.11 -4.99 120.51 118.87 2ptm n ALA 569 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.17 2ptm n ALA 569 Cb 0.26 -0.15 -0.02 0.00 0.00 0.00 0.00 19.45 19.54 2ptm n ALA 569 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2ptm s ASP 570 N -3.13 6.60 -0.53 0.00 1.01 -0.45 -4.71 116.67 115.47 2ptm s ASP 570 Ca 0.00 2.72 -0.23 0.00 0.71 0.00 0.00 52.55 55.75 2ptm s ASP 570 Cb 0.00 -2.63 0.04 0.00 1.01 0.00 0.00 42.92 41.35 2ptm s ASP 570 CO 0.00 -0.74 0.88 -0.31 0.21 0.00 0.00 175.17 175.21 2ptm s TYR 571 N -0.05 2.86 0.19 4.23 2.02 -1.26 -0.82 117.35 124.52 2ptm s TYR 571 Ca 0.60 -0.06 -0.04 0.00 -0.37 0.00 0.00 57.07 57.20 2ptm s TYR 571 Cb -0.43 -3.94 0.12 0.00 -0.40 0.00 0.00 41.96 37.31 2ptm s TYR 571 CO 0.45 -1.25 1.53 0.28 -1.57 0.00 0.00 175.55 174.98 2ptm h VAL 572 N 5.99 1.31 -3.74 0.71 2.07 -1.46 -3.45 116.25 117.69 2ptm h VAL 572 Ca -0.26 -1.69 -0.31 0.00 0.82 0.00 0.00 66.70 65.26 2ptm h VAL 572 Cb 1.08 1.65 -0.30 0.00 -1.52 0.00 0.00 31.29 32.20 2ptm h VAL 572 CO 1.05 0.53 -0.74 -0.63 0.02 0.00 0.00 177.57 177.80 2ptm s ILE 573 N -4.13 0.24 -0.16 4.57 1.01 -1.14 -4.97 121.20 116.62 2ptm s ILE 573 Ca -0.08 -0.07 -0.04 0.00 0.00 0.00 0.00 60.65 60.46 2ptm s ILE 573 Cb 0.12 -0.24 -0.03 0.00 0.01 0.00 0.00 42.46 42.32 2ptm s ILE 573 CO 0.84 0.09 -0.04 -1.10 0.00 0.00 0.00 174.94 174.74 2ptm s GLN 574 N 0.24 3.65 0.29 2.79 -1.52 -1.26 -0.89 119.66 122.96 2ptm s GLN 574 Ca -0.02 -0.53 -0.29 0.00 -1.95 0.00 0.00 55.36 52.56 2ptm s GLN 574 Cb -0.05 -2.92 -0.13 0.00 -0.22 0.00 0.00 33.01 29.69 2ptm s GLN 574 CO -0.01 0.21 1.34 -1.91 -0.25 0.00 0.00 175.29 174.68 2ptm n GLU 575 N 3.62 2.09 -0.32 2.91 0.00 -1.19 -2.98 120.64 124.77 2ptm n GLU 575 Ca -0.17 0.74 0.00 0.00 0.00 0.00 0.00 57.16 57.72 2ptm n GLU 575 Cb 0.52 -2.35 0.00 0.00 0.00 0.00 0.00 31.44 29.61 2ptm n GLU 575 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2ptm n GLY 576 N 1.44 0.94 3.99 8.31 0.00 -0.23 -4.95 105.19 114.69 2ptm n GLY 576 Ca 0.08 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.90 2ptm n GLY 576 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2ptm s THR 577 N -2.78 2.71 0.45 2.61 -4.23 -1.16 -4.74 115.64 108.50 2ptm s THR 577 Ca 0.00 -0.80 -0.20 0.00 -1.18 0.00 0.00 61.69 59.51 2ptm s THR 577 Cb 0.00 -2.91 -0.10 0.00 1.34 0.00 0.00 72.50 70.83 2ptm s THR 577 CO 0.00 0.00 0.96 -0.36 -0.54 0.00 0.00 174.62 174.68 2ptm s PHE 578 N -2.64 3.33 -0.04 3.99 0.08 -1.26 -0.81 117.98 120.64 2ptm s PHE 578 Ca 0.57 1.58 0.03 0.00 0.12 0.00 0.00 56.93 59.23 2ptm s PHE 578 Cb -0.10 -2.84 -0.03 0.00 -0.57 0.00 0.00 43.02 39.48 2ptm s PHE 578 CO 0.37 -0.18 -0.11 0.20 -0.10 0.00 0.00 175.22 175.40 2ptm s GLY 579 N -2.36 1.63 0.00 4.36 0.00 -1.26 -4.87 107.32 104.81 2ptm s GLY 579 Ca 0.61 -0.98 0.08 0.00 0.00 0.00 0.00 44.72 44.43 2ptm s GLY 579 CO 0.17 -0.79 0.54 2.09 0.00 0.00 0.00 173.10 175.11 2ptm n ASP 580 N 2.06 1.03 -3.61 1.64 5.75 -1.26 -4.90 116.55 117.25 2ptm n ASP 580 Ca -0.17 -1.01 -0.06 0.00 -0.01 0.00 0.00 54.79 53.54 2ptm n ASP 580 Cb 0.52 0.49 -0.02 0.00 -1.03 0.00 0.00 41.12 41.09 2ptm n ASP 580 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2ptm s ARG 581 N -1.17 0.93 0.44 0.11 1.70 -1.26 -0.98 118.95 118.71 2ptm s ARG 581 Ca 0.06 -0.43 0.06 0.00 -0.47 0.00 0.00 55.73 54.95 2ptm s ARG 581 Cb 0.06 0.37 -0.05 0.00 -0.57 0.00 0.00 34.95 34.76 2ptm s ARG 581 CO 0.20 -0.42 0.10 0.00 -1.08 0.00 0.00 175.30 174.10 2ptm s MET 582 N -3.12 2.13 -0.01 3.89 0.23 -0.35 -4.83 119.30 117.23 2ptm s MET 582 Ca 0.09 -2.06 0.02 0.00 -1.03 0.00 0.00 55.69 52.70 2ptm s MET 582 Cb -0.01 -1.78 0.00 0.00 -1.53 0.00 0.00 34.83 31.51 2ptm s MET 582 CO -0.04 -0.18 -0.06 -0.06 -2.03 0.00 0.00 175.02 172.65 2ptm s PHE 583 N -2.71 0.61 -0.12 3.16 0.08 0.08 -1.08 117.98 118.01 2ptm s PHE 583 Ca 0.31 -0.13 -0.03 0.00 0.12 0.00 0.00 56.93 57.21 2ptm s PHE 583 Cb 0.05 -0.44 -0.03 0.00 -0.57 0.00 0.00 43.02 42.03 2ptm s PHE 583 CO 0.17 -0.05 -0.02 -0.06 -0.10 0.00 0.00 175.22 175.16 2ptm s PHE 584 N 0.09 3.08 -0.36 0.36 0.08 0.47 -0.93 117.98 120.78 2ptm s PHE 584 Ca -0.01 -0.05 -0.21 0.00 0.12 0.00 0.00 56.93 56.78 2ptm s PHE 584 Cb -0.05 -1.88 0.01 0.00 -0.57 0.00 0.00 43.02 40.52 2ptm s PHE 584 CO -0.00 0.21 0.69 0.42 -0.10 0.00 0.00 175.22 176.43 2ptm s ILE 585 N -0.22 4.83 -0.10 0.64 1.01 -0.09 -0.82 121.20 126.45 2ptm s ILE 585 Ca 0.05 0.67 -0.08 0.00 0.00 0.00 0.00 60.65 61.29 2ptm s ILE 585 Cb -0.13 -4.13 -0.06 0.00 0.01 0.00 0.00 42.46 38.15 2ptm s ILE 585 CO 0.02 -0.37 0.24 -0.61 0.00 0.00 0.00 174.94 174.22 2ptm h GLN 586 N 8.49 -0.07 -3.58 2.79 4.15 -1.39 -0.03 115.11 125.47 2ptm h GLN 586 Ca -0.26 0.00 -0.21 0.00 0.77 0.00 0.00 58.65 58.95 2ptm h GLN 586 Cb 1.10 0.02 -0.27 0.00 0.21 0.00 0.00 27.48 28.53 2ptm h GLN 586 CO 0.87 0.14 -0.65 -0.65 -1.93 0.00 0.00 178.83 176.61 2ptm s GLN 587 N -1.96 0.07 0.00 1.69 -0.21 -0.98 -4.30 119.66 113.97 2ptm s GLN 587 Ca -0.05 0.09 0.00 0.00 0.02 0.00 0.00 55.36 55.42 2ptm s GLN 587 Cb -0.00 0.03 0.00 0.00 1.00 0.00 0.00 33.01 34.04 2ptm s GLN 587 CO 0.17 -0.01 0.00 0.41 -2.12 0.00 0.00 175.29 173.74 2ptm n GLY 588 N 3.07 2.19 3.03 3.09 0.00 -1.26 -0.73 105.19 114.57 2ptm n GLY 588 Ca -0.12 -1.94 -0.25 0.00 0.00 0.00 0.00 46.02 43.71 2ptm n GLY 588 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2ptm s ILE 589 N -1.59 1.15 0.15 -0.61 1.01 -1.26 -3.28 121.20 116.78 2ptm s ILE 589 Ca 0.00 -0.50 0.10 0.00 0.00 0.00 0.00 60.65 60.25 2ptm s ILE 589 Cb 0.00 -1.05 -0.04 0.00 0.01 0.00 0.00 42.46 41.38 2ptm s ILE 589 CO 0.00 0.36 -0.22 0.68 0.00 0.00 0.00 174.94 175.76 2ptm s VAL 590 N 0.60 1.99 -0.13 2.92 -7.23 -0.18 -0.58 120.40 117.79 2ptm s VAL 590 Ca -0.14 -1.84 -0.06 0.00 -1.81 0.00 0.00 61.98 58.14 2ptm s VAL 590 Cb -0.15 -1.87 -0.04 0.00 0.56 0.00 0.00 36.38 34.88 2ptm s VAL 590 CO 0.04 -0.15 0.08 -1.81 -0.31 0.00 0.00 175.10 172.95 2ptm s ASP 591 N -2.40 5.86 -0.34 4.85 1.01 0.31 -0.72 116.67 125.24 2ptm s ASP 591 Ca 0.15 0.28 -0.16 0.00 0.71 0.00 0.00 52.55 53.52 2ptm s ASP 591 Cb -0.08 -1.86 -0.01 0.00 1.01 0.00 0.00 42.92 41.98 2ptm s ASP 591 CO 0.07 0.34 0.43 -0.63 0.21 0.00 0.00 175.17 175.59 2ptm s ILE 592 N -0.63 5.10 -0.23 0.77 -1.09 0.51 -1.51 121.20 124.13 2ptm s ILE 592 Ca 0.12 0.20 -0.02 0.00 -2.23 0.00 0.00 60.65 58.72 2ptm s ILE 592 Cb -0.12 -3.88 0.01 0.00 -1.58 0.00 0.00 42.46 36.90 2ptm s ILE 592 CO 0.02 -0.13 -0.07 -0.63 -1.23 0.00 0.00 174.94 172.90 2ptm s ILE 593 N 2.18 2.97 0.93 2.92 1.01 -0.01 -0.36 121.20 130.85 2ptm s ILE 593 Ca 0.15 -0.77 -0.12 0.00 0.00 0.00 0.00 60.65 59.91 2ptm s ILE 593 Cb -0.16 -2.40 0.15 0.00 0.01 0.00 0.00 42.46 40.06 2ptm s ILE 593 CO 0.12 0.35 1.10 -0.04 0.00 0.00 0.00 174.94 176.48 2ptm s MET 594 N 1.39 0.99 0.52 2.79 -1.94 0.35 -0.84 119.30 122.56 2ptm s MET 594 Ca 0.04 0.56 0.35 0.00 -1.71 0.00 0.00 55.69 54.93 2ptm s MET 594 Cb -0.15 -1.80 1.74 0.00 2.01 0.00 0.00 34.83 36.63 2ptm s MET 594 CO -0.05 -2.36 2.05 0.66 -0.01 0.00 0.00 175.02 175.30 2ptm h SER 595 N -1.63 0.00 0.39 3.03 4.64 -1.88 0.11 113.55 118.20 2ptm h SER 595 Ca -0.51 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.81 2ptm h SER 595 Cb 1.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 2ptm h SER 595 CO 0.58 0.00 -0.39 -0.90 -0.87 0.00 0.00 176.83 175.25 2ptm n ASP 596 N -2.81 0.72 0.00 4.97 5.68 -1.26 -4.94 116.55 118.91 2ptm n ASP 596 Ca -0.01 -0.52 0.00 0.00 -0.50 0.00 0.00 54.79 53.76 2ptm n ASP 596 Cb 0.14 0.20 0.00 0.00 -1.14 0.00 0.00 41.12 40.32 2ptm n ASP 596 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2ptm n GLY 597 N 1.43 0.16 3.75 6.12 0.00 0.37 -5.07 105.19 111.94 2ptm n GLY 597 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 2ptm n GLY 597 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ptm s VAL 598 N -2.00 3.60 -0.40 1.61 0.11 -1.26 -4.72 120.40 117.34 2ptm s VAL 598 Ca 0.00 1.48 -0.27 0.00 -2.93 0.00 0.00 61.98 60.26 2ptm s VAL 598 Cb 0.00 -3.94 0.02 0.00 -1.53 0.00 0.00 36.38 30.93 2ptm s VAL 598 CO 0.00 0.30 0.99 -0.63 -3.33 0.00 0.00 175.10 172.43 2ptm s ILE 599 N -0.64 4.48 0.10 7.04 1.01 -1.26 -0.49 121.20 131.44 2ptm s ILE 599 Ca 0.48 1.19 -0.14 0.00 0.00 0.00 0.00 60.65 62.18 2ptm s ILE 599 Cb -0.31 -4.42 -0.08 0.00 0.01 0.00 0.00 42.46 37.65 2ptm s ILE 599 CO 0.38 -0.68 1.42 0.00 0.00 0.00 0.00 174.94 176.07 2ptm h ALA 600 N 8.68 0.43 -1.89 9.38 0.00 -1.08 -3.48 119.26 131.30 2ptm h ALA 600 Ca -0.23 -0.42 0.28 0.00 0.00 0.00 0.00 54.91 54.54 2ptm h ALA 600 Cb 1.07 -0.09 -0.09 0.00 0.00 0.00 0.00 17.79 18.68 2ptm h ALA 600 CO 1.03 0.47 0.73 -0.08 0.00 0.00 0.00 179.25 181.40 2ptm s THR 601 N -4.32 0.00 0.10 0.00 -1.32 -1.24 -5.03 115.64 103.83 2ptm s THR 601 Ca -0.12 -0.36 0.10 0.00 -1.21 0.00 0.00 61.69 60.10 2ptm s THR 601 Cb 0.09 -2.27 -0.04 0.00 -1.51 0.00 0.00 72.50 68.77 2ptm s THR 601 CO 0.84 0.00 -0.25 -0.44 -2.21 0.00 0.00 174.62 172.56 2ptm s SER 602 N -3.16 3.08 0.14 8.08 0.01 -1.26 -0.36 113.70 120.23 2ptm s SER 602 Ca 0.17 -0.69 0.09 0.00 1.31 0.00 0.00 55.95 56.84 2ptm s SER 602 Cb 0.02 -0.22 -0.04 0.00 0.21 0.00 0.00 66.02 65.99 2ptm s SER 602 CO -0.01 0.17 -0.22 -0.76 0.41 0.00 0.00 173.24 172.83 2ptm s LEU 603 N -1.79 2.36 0.00 2.44 1.43 0.10 -4.96 118.68 118.26 2ptm s LEU 603 Ca 0.12 -0.77 0.00 0.00 -1.03 0.00 0.00 54.13 52.44 2ptm s LEU 603 Cb -0.10 -0.99 0.00 0.00 0.03 0.00 0.00 46.19 45.13 2ptm s LEU 603 CO 0.05 0.07 0.00 -1.54 0.23 0.00 0.00 176.35 175.16 2ptm n SER 604 N 0.72 0.00 -4.62 2.29 3.41 -1.26 -1.02 113.62 113.14 2ptm n SER 604 Ca -0.16 -0.11 -0.63 0.00 -0.26 0.00 0.00 58.87 57.71 2ptm n SER 604 Cb 0.55 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.41 2ptm n SER 604 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2ptm n ASP 605 N -0.25 0.60 0.00 4.04 9.92 -1.20 -1.08 116.55 128.58 2ptm n ASP 605 Ca 0.00 1.17 0.00 0.00 -0.53 0.00 0.00 54.79 55.43 2ptm n ASP 605 Cb 0.00 -0.90 0.00 0.00 -0.64 0.00 0.00 41.12 39.58 2ptm n ASP 605 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2ptm n GLY 606 N 2.73 0.87 3.86 0.44 0.00 -0.03 -4.93 105.19 108.13 2ptm n GLY 606 Ca 0.25 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.05 2ptm n GLY 606 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2ptm n SER 607 N 0.00 1.50 -3.84 1.61 2.88 -0.24 -3.98 113.62 111.55 2ptm n SER 607 Ca 0.00 -2.21 -0.09 0.00 -1.33 0.00 0.00 58.87 55.23 2ptm n SER 607 Cb 0.00 -0.60 -0.06 0.00 -0.75 0.00 0.00 64.21 62.80 2ptm n SER 607 CO 0.00 0.00 0.00 -0.72 -1.23 0.00 0.00 175.04 173.09 2ptm s TYR 608 N -2.96 0.15 0.20 0.66 -0.85 -1.26 -0.92 117.35 112.37 2ptm s TYR 608 Ca 0.65 -0.53 -0.20 0.00 -0.52 0.00 0.00 57.07 56.46 2ptm s TYR 608 Cb -0.04 0.03 0.04 0.00 0.38 0.00 0.00 41.96 42.37 2ptm s TYR 608 CO 0.43 -0.65 0.59 -0.59 -1.52 0.00 0.00 175.55 173.81 2ptm s PHE 609 N -3.89 -0.27 0.00 -3.49 -0.12 -0.10 -4.94 117.98 105.17 2ptm s PHE 609 Ca 0.09 -0.05 0.00 0.00 -0.05 0.00 0.00 56.93 56.91 2ptm s PHE 609 Cb 0.03 0.52 0.00 0.00 -0.63 0.00 0.00 43.02 42.95 2ptm s PHE 609 CO -0.07 -0.97 0.00 0.41 -0.05 0.00 0.00 175.22 174.54 2ptm n GLY 610 N -0.38 0.70 0.10 1.99 0.00 -1.26 -0.74 105.19 105.60 2ptm n GLY 610 Ca -0.11 -0.25 -0.02 0.00 0.00 0.00 0.00 46.02 45.64 2ptm n GLY 610 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2ptm h GLU 611 N 1.39 0.00 0.04 1.61 9.09 -1.92 -3.38 114.58 121.41 2ptm h GLU 611 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 2ptm h GLU 611 Cb 0.00 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.10 2ptm h GLU 611 CO 0.00 0.51 -0.03 0.82 0.05 0.00 0.00 179.01 180.36 2ptm h ILE 612 N 0.00 0.94 -0.70 -1.06 1.08 -1.97 -1.60 117.51 114.20 2ptm h ILE 612 Ca -0.12 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.43 2ptm h ILE 612 Cb 1.64 0.94 -0.04 0.00 -3.07 0.00 0.00 36.82 36.28 2ptm h ILE 612 CO 0.07 0.00 0.46 0.00 -0.69 0.00 0.00 178.15 177.99 2ptm h LEU 614 N 0.66 0.00 0.21 0.00 3.38 -1.52 0.14 115.31 118.18 2ptm h LEU 614 Ca 0.31 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.96 2ptm h LEU 614 Cb 0.36 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.13 2ptm h LEU 614 CO -0.10 0.50 -1.39 -0.07 0.09 0.00 0.00 178.44 177.46 2ptm h LEU 615 N 0.00 0.73 0.00 1.67 3.38 -0.25 -3.35 115.31 117.50 2ptm h LEU 615 Ca -0.00 -0.77 0.00 0.00 0.09 0.00 0.00 57.88 57.19 2ptm h LEU 615 Cb 0.96 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.47 2ptm h LEU 615 CO 0.06 1.60 -1.10 0.35 0.09 0.00 0.00 178.44 179.45 2ptm n THR 616 N -3.67 0.53 -2.13 0.22 -2.24 -0.33 -4.94 114.28 101.72 2ptm n THR 616 Ca -0.14 -0.53 -0.18 0.00 -2.27 0.00 0.00 64.05 60.93 2ptm n THR 616 Cb 1.07 -0.28 -0.03 0.00 -2.10 0.00 0.00 70.33 68.99 2ptm n THR 616 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2ptm n ARG 617 N -2.59 -1.72 0.00 -0.78 1.74 0.50 -4.95 116.66 108.85 2ptm n ARG 617 Ca -0.00 0.94 0.00 0.00 -0.77 0.00 0.00 57.85 58.01 2ptm n ARG 617 Cb 0.55 -5.48 0.00 0.00 -1.02 0.00 0.00 32.46 26.50 2ptm n ARG 617 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2ptm n GLU 618 N -2.70 0.00 -4.48 5.56 -0.58 -1.22 -5.06 120.64 112.15 2ptm n GLU 618 Ca -0.20 0.00 -0.24 0.00 -0.42 0.00 0.00 57.16 56.30 2ptm n GLU 618 Cb 0.64 0.00 -0.10 0.00 -0.57 0.00 0.00 31.44 31.41 2ptm n GLU 618 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 2ptm s ARG 619 N 3.71 1.69 0.24 3.49 0.52 -1.26 -4.60 118.95 122.74 2ptm s ARG 619 Ca 0.00 -1.82 -0.31 0.00 -0.52 0.00 0.00 55.73 53.07 2ptm s ARG 619 Cb 0.00 -1.62 -0.13 0.00 0.52 0.00 0.00 34.95 33.72 2ptm s ARG 619 CO 0.00 0.21 1.52 0.54 0.02 0.00 0.00 175.30 177.59 2ptm n ARG 620 N -0.67 2.33 0.00 3.54 5.12 0.01 -4.56 116.66 122.44 2ptm n ARG 620 Ca -0.05 0.83 0.12 0.00 -1.93 0.00 0.00 57.85 56.82 2ptm n ARG 620 Cb 0.62 -2.56 0.12 0.00 -1.16 0.00 0.00 32.46 29.48 2ptm n ARG 620 CO 0.00 0.00 0.00 1.33 -1.93 0.00 0.00 177.63 177.03 2ptm n VAL 621 N 2.40 0.00 -3.59 1.55 0.24 -1.26 -1.06 118.33 116.60 2ptm n VAL 621 Ca 0.12 -0.24 -0.10 0.00 -2.04 0.00 0.00 64.34 62.07 2ptm n VAL 621 Cb 0.33 1.02 -0.02 0.00 -1.47 0.00 0.00 33.84 33.70 2ptm n VAL 621 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2ptm s ALA 622 N -2.43 -1.38 0.28 2.33 0.00 -1.26 -4.68 121.76 114.61 2ptm s ALA 622 Ca 0.21 0.16 -0.01 0.00 0.00 0.00 0.00 51.96 52.32 2ptm s ALA 622 Cb 0.19 0.87 -0.04 0.00 0.00 0.00 0.00 23.12 24.13 2ptm s ALA 622 CO 0.53 -0.84 0.49 -1.12 0.00 0.00 0.00 175.76 174.82 2ptm s SER 623 N -2.81 6.36 -0.11 0.00 0.01 -0.02 -3.19 113.70 113.93 2ptm s SER 623 Ca 0.05 0.46 -0.00 0.00 1.31 0.00 0.00 55.95 57.77 2ptm s SER 623 Cb -0.02 -2.04 0.02 0.00 0.21 0.00 0.00 66.02 64.19 2ptm s SER 623 CO -0.06 -0.18 -0.08 -0.69 0.41 0.00 0.00 173.24 172.63 2ptm s VAL 624 N -2.11 1.05 -0.08 3.43 1.01 -0.07 -0.83 120.40 122.80 2ptm s VAL 624 Ca 0.40 -0.32 0.04 0.00 0.00 0.00 0.00 61.98 62.10 2ptm s VAL 624 Cb -0.10 -1.05 0.00 0.00 0.00 0.00 0.00 36.38 35.23 2ptm s VAL 624 CO 0.32 0.37 -0.20 -0.75 0.00 0.00 0.00 175.10 174.84 2ptm s LYS 625 N 1.59 2.52 0.14 2.72 2.20 -0.57 -1.03 119.74 127.30 2ptm s LYS 625 Ca 0.03 -0.72 -0.30 0.00 -0.36 0.00 0.00 55.97 54.61 2ptm s LYS 625 Cb -0.13 -1.96 -0.08 0.00 -1.51 0.00 0.00 37.83 34.15 2ptm s LYS 625 CO -0.07 0.15 1.28 0.00 -0.36 0.00 0.00 175.35 176.35 2ptm h GLU 627 N 6.04 0.20 0.00 0.00 4.39 -1.17 0.31 114.58 124.34 2ptm h GLU 627 Ca -0.43 -0.34 -0.56 0.00 0.34 0.00 0.00 59.36 58.37 2ptm h GLU 627 Cb 1.21 0.12 -0.11 0.00 -0.10 0.00 0.00 28.75 29.88 2ptm h GLU 627 CO 0.80 1.01 -0.42 0.25 -1.16 0.00 0.00 179.01 179.49 2ptm n THR 628 N -3.36 0.00 -1.83 1.13 -2.24 -1.21 -4.54 114.28 102.23 2ptm n THR 628 Ca -0.26 -2.11 -0.41 0.00 -2.27 0.00 0.00 64.05 59.01 2ptm n THR 628 Cb 1.05 0.49 -0.01 0.00 -2.10 0.00 0.00 70.33 69.76 2ptm n THR 628 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 2ptm s TYR 629 N -2.67 2.66 -0.05 4.78 1.51 -1.26 -3.31 117.35 119.01 2ptm s TYR 629 Ca 0.04 1.12 0.03 0.00 -1.01 0.00 0.00 57.07 57.25 2ptm s TYR 629 Cb 0.00 -4.00 0.00 0.00 -0.11 0.00 0.00 41.96 37.85 2ptm s TYR 629 CO 0.03 -3.01 -0.14 0.00 -1.11 0.00 0.00 175.55 171.31 2ptm s THR 631 N 0.28 3.83 0.23 0.00 -4.23 0.09 -1.03 115.64 114.82 2ptm s THR 631 Ca -0.08 -0.34 0.10 0.00 -1.18 0.00 0.00 61.69 60.19 2ptm s THR 631 Cb -0.13 -2.76 -0.05 0.00 1.34 0.00 0.00 72.50 70.91 2ptm s THR 631 CO 0.03 0.39 -0.17 -0.76 -0.54 0.00 0.00 174.62 173.57 2ptm s LEU 632 N 1.43 2.56 -0.14 4.79 1.43 0.24 -1.00 118.68 127.99 2ptm s LEU 632 Ca 0.05 -1.01 0.01 0.00 -1.03 0.00 0.00 54.13 52.15 2ptm s LEU 632 Cb -0.15 -0.88 0.02 0.00 0.03 0.00 0.00 46.19 45.21 2ptm s LEU 632 CO 0.00 -0.06 -0.16 -0.36 0.23 0.00 0.00 176.35 176.01 2ptm s PHE 633 N -2.67 2.23 0.15 0.29 0.08 0.00 -0.66 117.98 117.41 2ptm s PHE 633 Ca 0.25 -1.22 0.01 0.00 0.12 0.00 0.00 56.93 56.09 2ptm s PHE 633 Cb -0.03 -1.61 -0.04 0.00 -0.57 0.00 0.00 43.02 40.77 2ptm s PHE 633 CO 0.10 -0.64 0.31 -1.54 -0.10 0.00 0.00 175.22 173.35 2ptm s SER 634 N 1.32 6.36 -0.13 1.36 1.04 0.25 -0.40 113.70 123.50 2ptm s SER 634 Ca 0.02 0.26 0.00 0.00 0.48 0.00 0.00 55.95 56.71 2ptm s SER 634 Cb -0.13 -1.95 0.02 0.00 0.10 0.00 0.00 66.02 64.06 2ptm s SER 634 CO -0.09 0.04 -0.12 -0.22 0.98 0.00 0.00 173.24 173.83 2ptm s LEU 635 N -3.16 1.52 0.83 2.42 2.96 -0.24 -0.94 118.68 122.08 2ptm s LEU 635 Ca 0.36 -0.40 -0.11 0.00 -0.22 0.00 0.00 54.13 53.76 2ptm s LEU 635 Cb -0.11 -1.03 0.09 0.00 0.50 0.00 0.00 46.19 45.63 2ptm s LEU 635 CO 0.28 -0.06 1.10 -0.94 -1.32 0.00 0.00 176.35 175.41 2ptm s SER 636 N 1.43 3.98 0.33 3.68 1.04 -1.26 -1.21 113.70 121.68 2ptm s SER 636 Ca 0.02 1.81 0.00 0.00 0.48 0.00 0.00 55.95 58.26 2ptm s SER 636 Cb -0.13 -2.46 0.55 0.00 0.10 0.00 0.00 66.02 64.08 2ptm s SER 636 CO -0.08 -2.36 1.98 1.62 0.98 0.00 0.00 173.24 175.38 2ptm h VAL 637 N -1.36 1.19 -0.24 5.02 3.04 -1.42 0.19 116.25 122.67 2ptm h VAL 637 Ca -0.45 -0.38 -0.02 0.00 -1.01 0.00 0.00 66.70 64.84 2ptm h VAL 637 Cb 1.25 0.19 -0.01 0.00 -2.01 0.00 0.00 31.29 30.71 2ptm h VAL 637 CO 0.50 0.19 0.06 0.06 -1.01 0.00 0.00 177.57 177.37 2ptm h GLN 638 N 0.94 0.38 -0.41 4.17 -0.00 -1.91 -1.29 115.11 116.99 2ptm h GLN 638 Ca 0.25 -0.09 -0.14 0.00 -0.00 0.00 0.00 58.65 58.67 2ptm h GLN 638 Cb -0.07 -0.05 -0.01 0.00 -0.00 0.00 0.00 27.48 27.35 2ptm h GLN 638 CO -0.05 0.49 -0.30 0.45 -0.00 0.00 0.00 178.83 179.42 2ptm h HIS 639 N 0.21 1.07 -0.19 0.06 3.86 -1.82 -1.97 115.15 116.36 2ptm h HIS 639 Ca 0.07 -0.29 0.05 0.00 -1.16 0.00 0.00 60.37 59.05 2ptm h HIS 639 Cb 0.28 -0.24 -0.06 0.00 1.06 0.00 0.00 27.41 28.45 2ptm h HIS 639 CO 0.01 1.10 -0.20 0.35 0.86 0.00 0.00 177.93 180.05 2ptm h PHE 640 N 0.77 -0.51 -0.01 2.45 3.57 -0.55 -0.46 116.94 122.21 2ptm h PHE 640 Ca 0.08 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.54 2ptm h PHE 640 Cb 0.88 0.25 -0.01 0.00 2.79 0.00 0.00 35.95 39.86 2ptm h PHE 640 CO 0.05 -0.27 -0.34 -0.91 -2.23 0.00 0.00 178.31 174.61 2ptm h ASN 641 N -0.22 0.01 0.18 0.41 2.35 -1.15 -2.37 115.58 114.80 2ptm h ASN 641 Ca 0.12 -0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.86 2ptm h ASN 641 Cb 0.40 -0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.77 2ptm h ASN 641 CO -0.32 0.35 -0.09 1.56 -1.65 0.00 0.00 177.43 177.29 2ptm h GLN 642 N 0.01 -0.24 -0.08 0.81 4.20 -0.69 -2.69 115.11 116.43 2ptm h GLN 642 Ca -0.00 0.02 -0.09 0.00 0.06 0.00 0.00 58.65 58.63 2ptm h GLN 642 Cb 0.61 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.43 2ptm h GLN 642 CO 0.05 0.05 -0.36 -0.39 -0.67 0.00 0.00 178.83 177.51 2ptm h VAL 643 N -0.53 1.28 0.00 -0.54 -1.51 -0.97 -1.64 116.25 112.35 2ptm h VAL 643 Ca -0.03 -1.35 -0.11 0.00 -1.23 0.00 0.00 66.70 63.98 2ptm h VAL 643 Cb 0.40 1.62 -0.02 0.00 -2.13 0.00 0.00 31.29 31.17 2ptm h VAL 643 CO 0.04 0.40 -0.51 -0.07 -1.23 0.00 0.00 177.57 176.20 2ptm h LEU 644 N 0.14 0.00 0.00 4.19 4.07 -1.48 -0.18 115.31 122.05 2ptm h LEU 644 Ca 0.02 0.00 -0.22 0.00 0.08 0.00 0.00 57.88 57.75 2ptm h LEU 644 Cb 0.71 0.00 0.02 0.00 1.08 0.00 0.00 40.66 42.47 2ptm h LEU 644 CO 0.05 0.51 -0.87 0.44 -1.08 0.00 0.00 178.44 177.49 2ptm h ASP 645 N 0.00 0.76 0.02 -0.43 3.32 -1.11 -2.85 116.42 116.14 2ptm h ASP 645 Ca -0.01 -0.75 -0.09 0.00 0.02 0.00 0.00 57.03 56.21 2ptm h ASP 645 Cb 1.02 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 40.32 2ptm h ASP 645 CO 0.07 1.41 -0.26 -0.08 -1.72 0.00 0.00 179.24 178.66 2ptm h GLU 646 N 0.20 0.39 -2.65 3.56 4.81 -1.21 -3.35 114.58 116.33 2ptm h GLU 646 Ca -0.11 -0.14 -0.60 0.00 -0.13 0.00 0.00 59.36 58.38 2ptm h GLU 646 Cb 1.55 -0.03 -0.40 0.00 0.63 0.00 0.00 28.75 30.50 2ptm h GLU 646 CO 0.17 0.62 -0.78 1.19 -0.73 0.00 0.00 179.01 179.49 2ptm n PHE 647 N -4.13 1.28 0.14 0.92 3.72 -0.09 -4.98 117.46 114.32 2ptm n PHE 647 Ca -0.01 -3.83 0.06 0.00 -0.05 0.00 0.00 57.45 53.63 2ptm n PHE 647 Cb 0.40 -0.22 0.54 0.00 -0.94 0.00 0.00 39.48 39.26 2ptm n PHE 647 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 2ptm h PRO 648 N 5.32 0.24 -0.75 -1.08 0.11 -1.64 -1.13 132.00 133.07 2ptm h PRO 648 Ca 0.20 -0.01 0.14 0.00 0.11 0.00 0.00 66.00 66.43 2ptm h PRO 648 Cb 0.82 -0.05 -0.05 0.00 0.11 0.00 0.00 31.00 31.83 2ptm h PRO 648 CO 0.56 0.16 0.50 0.00 -0.21 0.00 0.00 178.00 179.01 2ptm h ALA 649 N 1.88 2.06 0.00 -0.75 0.00 -1.94 -0.76 119.26 119.75 2ptm h ALA 649 Ca 0.07 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 2ptm h ALA 649 Cb -0.02 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2ptm h ALA 649 CO -0.01 -0.25 -0.22 0.52 0.00 0.00 0.00 179.25 179.28 2ptm h MET 650 N 0.46 0.00 -0.57 0.00 2.86 -1.53 -2.34 114.93 113.81 2ptm h MET 650 Ca 0.36 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.89 2ptm h MET 650 Cb 0.78 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.42 2ptm h MET 650 CO -0.12 0.22 -0.08 -0.09 1.06 0.00 0.00 176.91 177.90 2ptm h ARG 651 N 0.00 1.05 0.03 1.72 2.43 -1.20 -1.00 114.38 117.42 2ptm h ARG 651 Ca -0.00 -0.37 -0.00 0.00 -0.81 0.00 0.00 59.98 58.79 2ptm h ARG 651 Cb 1.03 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.50 2ptm h ARG 651 CO 0.03 1.07 -0.01 0.87 -1.51 0.00 0.00 179.97 180.42 2ptm h LYS 652 N 0.94 -0.04 -0.40 0.20 1.57 -1.24 0.16 116.57 117.76 2ptm h LYS 652 Ca 0.15 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.89 2ptm h LYS 652 Cb 0.65 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.95 2ptm h LYS 652 CO 0.04 0.12 0.07 1.79 -0.57 0.00 0.00 179.45 180.91 2ptm h THR 653 N -0.20 1.19 -0.19 -0.16 1.35 -1.42 -2.16 112.91 111.33 2ptm h THR 653 Ca -0.00 -0.71 -0.05 0.00 -0.55 0.00 0.00 66.41 65.09 2ptm h THR 653 Cb 0.18 0.81 -0.00 0.00 -1.73 0.00 0.00 68.15 67.41 2ptm h THR 653 CO 0.01 0.26 -0.09 -0.03 -0.25 0.00 0.00 175.52 175.41 2ptm h MET 654 N 0.59 0.40 -0.79 4.72 -1.53 -0.83 -2.99 114.93 114.49 2ptm h MET 654 Ca 0.13 -0.18 0.08 0.00 -3.44 0.00 0.00 59.70 56.29 2ptm h MET 654 Cb 0.27 -0.01 -0.05 0.00 -0.55 0.00 0.00 31.60 31.25 2ptm h MET 654 CO 0.00 0.70 0.52 0.93 0.14 0.00 0.00 176.91 179.20 2ptm h GLU 655 N 0.09 0.78 -0.71 0.39 5.08 -0.40 -2.37 114.58 117.45 2ptm h GLU 655 Ca 0.04 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 2ptm h GLU 655 Cb 0.58 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.62 2ptm h GLU 655 CO 0.03 0.52 0.29 0.93 -1.00 0.00 0.00 179.01 179.77 2ptm h GLU 656 N 0.81 1.04 -0.07 2.33 5.08 -1.25 -1.42 114.58 121.10 2ptm h GLU 656 Ca 0.35 -0.17 -0.18 0.00 -1.00 0.00 0.00 59.36 58.36 2ptm h GLU 656 Cb 0.32 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 2ptm h GLU 656 CO -0.13 0.84 -0.72 0.82 -1.00 0.00 0.00 179.01 178.83 2ptm h ILE 657 N 1.02 1.38 -0.23 3.13 5.03 -1.44 -2.06 117.51 124.35 2ptm h ILE 657 Ca 0.24 -2.14 0.02 0.00 -0.12 0.00 0.00 64.86 62.86 2ptm h ILE 657 Cb 0.19 2.11 -0.02 0.00 -3.03 0.00 0.00 36.82 36.06 2ptm h ILE 657 CO -0.02 0.64 0.08 0.00 -0.68 0.00 0.00 178.15 178.17 2ptm h ALA 658 N 0.97 0.26 -0.36 1.87 0.00 -0.98 -1.48 119.26 119.54 2ptm h ALA 658 Ca -0.03 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2ptm h ALA 658 Cb 1.28 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.06 2ptm h ALA 658 CO 0.12 -0.33 0.15 0.28 0.00 0.00 0.00 179.25 179.47 2ptm h VAL 659 N 0.19 1.18 0.00 0.00 2.07 -1.28 -2.71 116.25 115.71 2ptm h VAL 659 Ca 0.10 -0.54 0.00 0.00 0.82 0.00 0.00 66.70 67.08 2ptm h VAL 659 Cb 0.06 0.88 0.00 0.00 -1.52 0.00 0.00 31.29 30.71 2ptm h VAL 659 CO -0.10 0.19 0.00 0.54 0.02 0.00 0.00 177.57 178.23 2ptm n ARG 660 N -4.70 0.82 -3.83 1.57 1.74 -0.74 -3.37 116.66 108.14 2ptm n ARG 660 Ca -0.01 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.77 2ptm n ARG 660 Cb 0.13 -1.19 -0.11 0.00 -1.02 0.00 0.00 32.46 30.27 2ptm n ARG 660 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2ptm s ARG 661 N -0.20 2.69 0.00 5.56 0.52 -0.63 -4.96 118.95 121.93 2ptm s ARG 661 Ca 0.00 -3.33 0.00 0.00 -0.52 0.00 0.00 55.73 51.88 2ptm s ARG 661 Cb 0.00 -3.57 0.00 0.00 0.52 0.00 0.00 34.95 31.90 2ptm s ARG 661 CO 0.00 -1.28 0.27 1.28 0.02 0.00 0.00 175.30 175.59