#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fmd n GLY 471 N 0.00 -3.56 3.49 2.58 0.00 -1.26 -4.86 105.19 101.58 3fmd n GLY 471 Ca 0.00 -1.00 -0.34 0.00 0.00 0.00 0.00 46.02 44.68 3fmd n GLY 471 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3fmd n PRO 472 N -4.03 -0.10 -4.10 1.61 -0.02 -1.26 -4.95 135.00 122.16 3fmd n PRO 472 Ca -0.08 0.02 -0.22 0.00 -2.02 0.00 0.00 63.50 61.20 3fmd n PRO 472 Cb 0.66 -1.98 -0.06 0.00 -0.02 0.00 0.00 33.50 32.09 3fmd n PRO 472 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3fmd s VAL 473 N -2.26 3.46 0.78 -1.45 -7.23 0.54 -4.77 120.40 109.47 3fmd s VAL 473 Ca 0.62 -1.64 -0.11 0.00 -1.81 0.00 0.00 61.98 59.04 3fmd s VAL 473 Cb -0.26 -3.06 0.06 0.00 0.56 0.00 0.00 36.38 33.69 3fmd s VAL 473 CO 0.62 -0.25 1.09 -2.16 -0.31 0.00 0.00 175.10 174.08 3fmd s PRO 474 N -3.83 2.23 0.48 4.82 0.04 -1.26 -0.39 135.00 137.08 3fmd s PRO 474 Ca 0.36 0.70 0.14 0.00 0.04 0.00 0.00 61.00 62.25 3fmd s PRO 474 Cb -0.05 -1.93 1.13 0.00 0.04 0.00 0.00 34.50 33.69 3fmd s PRO 474 CO 0.23 -1.54 2.08 0.74 0.04 0.00 0.00 177.00 178.55 3fmd h PHE 475 N -1.03 0.21 0.00 0.56 0.04 -1.94 -1.85 116.94 112.94 3fmd h PHE 475 Ca -0.46 0.01 -0.03 0.00 2.80 0.00 0.00 57.97 60.28 3fmd h PHE 475 Cb 1.26 -0.07 -0.00 0.00 2.20 0.00 0.00 35.95 39.33 3fmd h PHE 475 CO 0.49 0.12 -0.14 0.66 -0.60 0.00 0.00 178.31 178.84 3fmd h SER 476 N 0.22 0.00 -0.70 2.17 4.64 -1.93 0.11 113.55 118.07 3fmd h SER 476 Ca 0.12 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 61.47 3fmd h SER 476 Cb 0.19 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.23 3fmd h SER 476 CO -0.02 0.14 0.43 -0.74 -0.87 0.00 0.00 176.83 175.77 3fmd h HIS 477 N 0.00 0.81 0.21 4.77 -0.00 -1.70 -2.67 115.15 116.56 3fmd h HIS 477 Ca -0.00 0.02 -0.32 0.00 -0.00 0.00 0.00 60.37 60.07 3fmd h HIS 477 Cb 0.29 -0.26 0.02 0.00 -0.00 0.00 0.00 27.41 27.46 3fmd h HIS 477 CO 0.00 0.45 -1.43 0.00 -0.00 0.00 0.00 177.93 176.95 3fmd n LEU 479 N -3.64 2.77 -4.50 0.00 4.77 0.31 -4.98 117.00 111.72 3fmd n LEU 479 Ca -0.15 -5.17 -0.31 0.00 -0.03 0.00 0.00 56.01 50.35 3fmd n LEU 479 Cb 1.08 -0.55 0.16 0.00 -2.33 0.00 0.00 43.42 41.78 3fmd n LEU 479 CO 0.58 1.86 0.23 -2.65 -1.33 0.00 0.00 177.39 176.07 3fmd n PRO 480 N 1.74 -0.82 -0.20 3.23 -0.02 -1.01 -4.28 135.00 133.62 3fmd n PRO 480 Ca 0.23 -0.19 0.00 0.00 -2.02 0.00 0.00 63.50 61.52 3fmd n PRO 480 Cb 0.38 -2.08 0.11 0.00 -0.02 0.00 0.00 33.50 31.90 3fmd n PRO 480 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 3fmd h THR 481 N -1.91 0.73 -0.22 3.45 1.35 -1.98 0.34 112.91 114.67 3fmd h THR 481 Ca -0.47 -0.13 -0.15 0.00 -0.55 0.00 0.00 66.41 65.12 3fmd h THR 481 Cb 1.29 0.33 -0.01 0.00 -1.73 0.00 0.00 68.15 68.04 3fmd h THR 481 CO 0.39 0.07 -0.48 -0.08 -0.25 0.00 0.00 175.52 175.17 3fmd h GLU 482 N 0.36 0.58 -0.73 4.72 4.81 -1.99 0.63 114.58 122.96 3fmd h GLU 482 Ca 0.31 -0.33 -0.05 0.00 -0.13 0.00 0.00 59.36 59.16 3fmd h GLU 482 Cb 0.41 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.78 3fmd h GLU 482 CO -0.33 0.93 0.26 0.87 -0.73 0.00 0.00 179.01 180.01 3fmd h LYS 483 N 0.46 1.11 -0.14 1.92 6.56 -1.22 -3.01 116.57 122.25 3fmd h LYS 483 Ca 0.02 -0.21 -0.18 0.00 -1.06 0.00 0.00 60.65 59.23 3fmd h LYS 483 Cb 1.00 -0.17 -0.00 0.00 -0.57 0.00 0.00 32.23 32.49 3fmd h LYS 483 CO 0.09 0.92 -0.65 1.25 -2.06 0.00 0.00 179.45 179.00 3fmd h LEU 484 N 1.07 0.62 -1.89 2.94 5.85 -0.06 -2.86 115.31 120.98 3fmd h LEU 484 Ca 0.24 -0.37 -0.02 0.00 0.84 0.00 0.00 57.88 58.58 3fmd h LEU 484 Cb 0.25 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 41.09 3fmd h LEU 484 CO -0.02 1.11 -0.08 1.56 -0.34 0.00 0.00 178.44 180.67 3fmd h GLN 485 N 0.39 0.00 -0.01 1.25 4.20 -0.80 -3.11 115.11 117.04 3fmd h GLN 485 Ca -0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.70 3fmd h GLN 485 Cb 1.21 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.99 3fmd h GLN 485 CO 0.12 0.08 -0.51 0.54 -0.67 0.00 0.00 178.83 178.40 3fmd n ARG 486 N -3.39 1.05 -1.67 1.46 1.74 -1.09 -4.96 116.66 109.80 3fmd n ARG 486 Ca -0.01 -0.85 -0.46 0.00 -0.77 0.00 0.00 57.85 55.76 3fmd n ARG 486 Cb 0.25 -1.48 -0.04 0.00 -1.02 0.00 0.00 32.46 30.16 3fmd n ARG 486 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3fmd s GLU 488 N 1.20 1.27 0.17 0.00 2.02 -0.45 -4.81 118.70 118.10 3fmd s GLU 488 Ca 0.80 -0.67 -0.30 0.00 0.02 0.00 0.00 54.97 54.82 3fmd s GLU 488 Cb -0.68 -1.26 -0.08 0.00 0.10 0.00 0.00 34.13 32.21 3fmd s GLU 488 CO 0.39 0.34 1.25 0.21 0.02 0.00 0.00 175.26 177.47 3fmd s LYS 489 N -0.65 4.43 -0.00 1.61 2.20 -1.26 -0.46 119.74 125.62 3fmd s LYS 489 Ca 0.06 1.94 0.00 0.00 -0.36 0.00 0.00 55.97 57.61 3fmd s LYS 489 Cb -0.07 -3.24 -0.01 0.00 -1.51 0.00 0.00 37.83 33.01 3fmd s LYS 489 CO 0.00 -0.19 0.01 0.44 -0.36 0.00 0.00 175.35 175.25 3fmd n ILE 490 N 2.82 0.00 -3.84 5.43 -5.35 0.20 -4.87 119.36 113.75 3fmd n ILE 490 Ca 0.06 -0.20 -0.05 0.00 -0.27 0.00 0.00 62.75 62.29 3fmd n ILE 490 Cb 0.44 0.69 0.02 0.00 -1.74 0.00 0.00 39.64 39.04 3fmd n ILE 490 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3fmd s GLY 491 N -1.66 0.15 0.27 3.28 0.00 -1.09 -5.00 107.32 103.27 3fmd s GLY 491 Ca -0.00 -0.42 -0.20 0.00 0.00 0.00 0.00 44.72 44.10 3fmd s GLY 491 CO 0.02 1.20 0.68 -1.83 0.00 0.00 0.00 173.10 173.16 3fmd s GLU 492 N -2.40 1.72 0.10 2.90 -1.05 -1.26 -0.90 118.70 117.81 3fmd s GLU 492 Ca 0.18 -1.00 -0.14 0.00 -0.15 0.00 0.00 54.97 53.86 3fmd s GLU 492 Cb -0.03 0.59 0.05 0.00 -0.44 0.00 0.00 34.13 34.29 3fmd s GLU 492 CO 0.07 -0.78 0.66 0.41 0.95 0.00 0.00 175.26 176.58 3fmd n GLY 493 N -0.44 0.79 0.37 -3.83 0.00 -0.84 -4.98 105.19 96.26 3fmd n GLY 493 Ca -0.04 -1.05 0.03 0.00 0.00 0.00 0.00 46.02 44.95 3fmd n GLY 493 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3fmd h VAL 494 N 1.61 1.10 -0.69 1.61 2.07 -1.94 -0.85 116.25 119.16 3fmd h VAL 494 Ca -0.16 -0.38 0.20 0.00 0.82 0.00 0.00 66.70 67.18 3fmd h VAL 494 Cb 0.74 -0.10 -0.03 0.00 -1.52 0.00 0.00 31.29 30.39 3fmd h VAL 494 CO 0.22 0.20 0.59 2.19 0.02 0.00 0.00 177.57 180.80 3fmd h PHE 495 N 1.11 0.00 0.00 1.57 -0.00 -1.93 -3.43 116.94 114.25 3fmd h PHE 495 Ca 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 58.36 3fmd h PHE 495 Cb 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.08 3fmd h PHE 495 CO -0.00 0.00 0.00 0.41 -0.00 0.00 0.00 178.31 178.72 3fmd n GLY 496 N -1.61 0.50 3.04 6.09 0.00 -0.33 -4.26 105.19 108.62 3fmd n GLY 496 Ca 0.14 -1.21 -0.14 0.00 0.00 0.00 0.00 46.02 44.80 3fmd n GLY 496 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fmd s GLU 497 N -1.29 0.54 -0.10 1.61 0.41 -1.01 -1.99 118.70 116.87 3fmd s GLU 497 Ca 0.00 -0.61 0.03 0.00 -0.41 0.00 0.00 54.97 53.97 3fmd s GLU 497 Cb 0.00 -0.38 0.01 0.00 -1.78 0.00 0.00 34.13 31.98 3fmd s GLU 497 CO 0.00 0.08 -0.17 0.08 -0.49 0.00 0.00 175.26 174.76 3fmd s VAL 498 N -1.01 1.59 0.11 2.63 1.01 -0.08 -1.05 120.40 123.60 3fmd s VAL 498 Ca -0.06 -0.72 0.09 0.00 0.00 0.00 0.00 61.98 61.29 3fmd s VAL 498 Cb -0.08 -1.42 -0.04 0.00 0.00 0.00 0.00 36.38 34.84 3fmd s VAL 498 CO 0.00 0.46 -0.19 -0.36 0.00 0.00 0.00 175.10 175.02 3fmd s PHE 499 N 0.71 2.52 -0.17 5.22 0.08 0.01 -0.63 117.98 125.73 3fmd s PHE 499 Ca -0.12 -0.27 -0.06 0.00 0.12 0.00 0.00 56.93 56.60 3fmd s PHE 499 Cb -0.16 -1.35 -0.04 0.00 -0.57 0.00 0.00 43.02 40.90 3fmd s PHE 499 CO 0.03 0.36 0.03 -1.14 -0.10 0.00 0.00 175.22 174.41 3fmd s GLN 500 N -2.04 3.88 0.32 0.44 0.74 0.39 -0.15 119.66 123.24 3fmd s GLN 500 Ca 0.17 -0.39 0.03 0.00 0.05 0.00 0.00 55.36 55.22 3fmd s GLN 500 Cb -0.11 -3.13 -0.01 0.00 1.10 0.00 0.00 33.01 30.87 3fmd s GLN 500 CO 0.09 0.27 0.11 -2.37 -0.55 0.00 0.00 175.29 172.85 3fmd n THR 501 N 3.50 0.00 -4.14 -0.34 5.66 -0.88 -1.34 114.28 116.74 3fmd n THR 501 Ca -0.17 -1.84 -0.24 0.00 -3.05 0.00 0.00 64.05 58.75 3fmd n THR 501 Cb 0.52 0.66 -0.17 0.00 -1.55 0.00 0.00 70.33 69.79 3fmd n THR 501 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 175.07 171.39 3fmd s ILE 502 N -2.73 0.82 -0.06 1.09 -1.09 -1.26 -1.02 121.20 116.96 3fmd s ILE 502 Ca 0.16 -0.23 0.03 0.00 -2.23 0.00 0.00 60.65 58.38 3fmd s ILE 502 Cb 0.01 -0.83 0.00 0.00 -1.58 0.00 0.00 42.46 40.06 3fmd s ILE 502 CO 0.11 0.31 -0.16 0.00 -1.23 0.00 0.00 174.94 173.97 3fmd s ALA 503 N 1.25 1.49 -1.29 9.38 0.00 -0.41 -4.74 121.76 127.45 3fmd s ALA 503 Ca -0.05 -0.60 -0.08 0.00 0.00 0.00 0.00 51.96 51.23 3fmd s ALA 503 Cb -0.14 -0.57 -0.00 0.00 0.00 0.00 0.00 23.12 22.41 3fmd s ALA 503 CO -0.02 0.21 0.60 -0.25 0.00 0.00 0.00 175.76 176.29 3fmd n ASP 504 N 3.48 -2.28 -1.70 0.00 8.00 -1.26 -1.46 116.55 121.33 3fmd n ASP 504 Ca -0.20 -0.99 -0.21 0.00 0.71 0.00 0.00 54.79 54.11 3fmd n ASP 504 Cb 0.52 -3.31 -0.08 0.00 -0.02 0.00 0.00 41.12 38.24 3fmd n ASP 504 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 3fmd n HIS 505 N -4.31 -0.15 -4.28 1.24 8.25 -1.26 -4.94 115.22 109.76 3fmd n HIS 505 Ca -0.23 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.03 3fmd n HIS 505 Cb 0.65 -3.51 -0.16 0.00 1.12 0.00 0.00 29.99 28.09 3fmd n HIS 505 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3fmd s THR 506 N -2.78 0.66 0.55 1.59 2.01 -0.53 -5.12 115.64 112.01 3fmd s THR 506 Ca 0.00 -0.23 -0.17 0.00 0.31 0.00 0.00 61.69 61.60 3fmd s THR 506 Cb 0.00 -0.64 -0.06 0.00 0.01 0.00 0.00 72.50 71.81 3fmd s THR 506 CO 0.00 0.24 1.03 -2.16 -0.69 0.00 0.00 174.62 173.03 3fmd s PRO 507 N 0.62 3.63 0.09 4.92 0.04 -1.26 -1.28 135.00 141.76 3fmd s PRO 507 Ca -0.09 1.14 0.03 0.00 0.04 0.00 0.00 61.00 62.11 3fmd s PRO 507 Cb -0.12 -2.08 -0.04 0.00 0.04 0.00 0.00 34.50 32.30 3fmd s PRO 507 CO 0.01 -0.55 -0.08 0.14 0.04 0.00 0.00 177.00 176.55 3fmd s VAL 508 N -2.44 0.78 -0.15 -0.36 -7.23 -0.18 -3.77 120.40 107.05 3fmd s VAL 508 Ca 0.62 -1.73 -0.00 0.00 -1.81 0.00 0.00 61.98 59.06 3fmd s VAL 508 Cb -0.14 -1.44 -0.01 0.00 0.56 0.00 0.00 36.38 35.36 3fmd s VAL 508 CO 0.32 -0.70 -0.14 0.00 -0.31 0.00 0.00 175.10 174.27 3fmd s ALA 509 N -2.91 2.54 -0.28 1.32 0.00 0.24 -2.06 121.76 120.61 3fmd s ALA 509 Ca 0.07 -1.02 0.00 0.00 0.00 0.00 0.00 51.96 51.01 3fmd s ALA 509 Cb 0.00 -1.25 0.05 0.00 0.00 0.00 0.00 23.12 21.92 3fmd s ALA 509 CO -0.02 0.01 -0.05 0.42 0.00 0.00 0.00 175.76 176.12 3fmd s ILE 510 N 0.75 2.66 -0.23 0.00 -1.09 0.79 0.17 121.20 124.24 3fmd s ILE 510 Ca -0.06 -1.43 -0.15 0.00 -2.23 0.00 0.00 60.65 56.78 3fmd s ILE 510 Cb -0.15 -2.51 -0.04 0.00 -1.58 0.00 0.00 42.46 38.17 3fmd s ILE 510 CO 0.01 -0.03 0.38 -0.75 -1.23 0.00 0.00 174.94 173.32 3fmd s LYS 511 N 1.21 4.10 -0.17 2.79 2.20 -0.07 -0.81 119.74 128.99 3fmd s LYS 511 Ca -0.06 0.11 0.01 0.00 -0.36 0.00 0.00 55.97 55.68 3fmd s LYS 511 Cb -0.19 -3.59 0.01 0.00 -1.51 0.00 0.00 37.83 32.55 3fmd s LYS 511 CO -0.03 -0.14 -0.19 0.42 -0.36 0.00 0.00 175.35 175.05 3fmd s ILE 512 N 1.63 2.21 -0.15 5.43 1.01 -0.22 -1.22 121.20 129.89 3fmd s ILE 512 Ca 0.17 -0.90 -0.00 0.00 0.00 0.00 0.00 60.65 59.91 3fmd s ILE 512 Cb -0.15 -1.92 0.03 0.00 0.01 0.00 0.00 42.46 40.43 3fmd s ILE 512 CO 0.08 0.53 -0.10 -0.63 0.00 0.00 0.00 174.94 174.83 3fmd s ILE 513 N 1.13 1.32 0.22 2.92 1.01 -0.05 -2.41 121.20 125.33 3fmd s ILE 513 Ca 0.01 -0.57 -0.30 0.00 0.00 0.00 0.00 60.65 59.79 3fmd s ILE 513 Cb -0.14 -1.33 -0.09 0.00 0.01 0.00 0.00 42.46 40.91 3fmd s ILE 513 CO -0.08 0.33 1.20 0.00 0.00 0.00 0.00 174.94 176.39 3fmd s ALA 514 N 1.57 3.45 0.13 9.38 0.00 -1.26 -0.36 121.76 134.66 3fmd s ALA 514 Ca 0.03 0.99 0.03 0.00 0.00 0.00 0.00 51.96 53.02 3fmd s ALA 514 Cb -0.14 -3.41 -0.04 0.00 0.00 0.00 0.00 23.12 19.53 3fmd s ALA 514 CO -0.09 -0.38 -0.08 0.96 0.00 0.00 0.00 175.76 176.17 3fmd s ILE 515 N -0.37 0.95 0.00 0.00 -4.36 -0.69 -4.24 121.20 112.50 3fmd s ILE 515 Ca 0.51 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.90 3fmd s ILE 515 Cb -0.34 -1.78 0.00 0.00 1.25 0.00 0.00 42.46 41.60 3fmd s ILE 515 CO 0.39 -0.80 0.00 -0.62 0.24 0.00 0.00 174.94 174.15 3fmd n GLU 516 N -0.13 -0.77 -3.14 0.37 -0.58 0.09 -4.04 120.64 112.45 3fmd n GLU 516 Ca -0.11 0.19 -0.19 0.00 -0.42 0.00 0.00 57.16 56.63 3fmd n GLU 516 Cb 0.61 -4.34 0.01 0.00 -0.57 0.00 0.00 31.44 27.14 3fmd n GLU 516 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 3fmd s GLY 517 N -2.00 1.76 0.26 0.62 0.00 -1.26 -5.01 107.32 101.69 3fmd s GLY 517 Ca 0.00 -1.49 0.22 0.00 0.00 0.00 0.00 44.72 43.45 3fmd s GLY 517 CO 0.00 -1.34 1.20 -0.56 0.00 0.00 0.00 173.10 172.41 3fmd h PRO 518 N 0.65 0.00 -6.77 2.90 0.13 -1.97 -3.40 132.00 123.53 3fmd h PRO 518 Ca -0.43 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.17 3fmd h PRO 518 Cb 1.27 0.00 0.06 0.00 0.13 0.00 0.00 31.00 32.46 3fmd h PRO 518 CO 0.50 0.05 0.74 -0.51 -0.23 0.00 0.00 178.00 178.55 3fmd s ASP 519 N -5.69 6.67 0.24 1.44 1.01 -1.26 -4.89 116.67 114.19 3fmd s ASP 519 Ca 0.02 2.68 -0.31 0.00 0.71 0.00 0.00 52.55 55.64 3fmd s ASP 519 Cb 0.08 -2.63 -0.12 0.00 1.01 0.00 0.00 42.92 41.26 3fmd s ASP 519 CO 0.76 -0.68 1.64 0.18 0.21 0.00 0.00 175.17 177.28 3fmd n LEU 520 N 2.03 4.00 -4.01 1.23 4.77 -1.26 -4.24 117.00 119.51 3fmd n LEU 520 Ca 0.05 1.10 -0.30 0.00 -0.03 0.00 0.00 56.01 56.84 3fmd n LEU 520 Cb 0.40 -1.56 -0.16 0.00 -2.33 0.00 0.00 43.42 39.77 3fmd n LEU 520 CO 0.60 0.08 -0.48 -0.69 -1.33 0.00 0.00 177.39 175.57 3fmd s VAL 521 N 0.58 1.53 -1.44 4.08 1.01 0.71 -4.72 120.40 122.14 3fmd s VAL 521 Ca 0.70 -0.61 -0.13 0.00 0.00 0.00 0.00 61.98 61.94 3fmd s VAL 521 Cb -0.53 -1.45 0.10 0.00 0.00 0.00 0.00 36.38 34.51 3fmd s VAL 521 CO 0.41 0.45 0.66 0.59 0.00 0.00 0.00 175.10 177.20 3fmd n ASN 522 N 4.78 -3.79 0.00 3.32 3.02 -1.26 -2.18 115.26 119.15 3fmd n ASN 522 Ca -0.17 -0.63 0.00 0.00 -0.03 0.00 0.00 54.58 53.76 3fmd n ASN 522 Cb 0.50 -3.10 0.00 0.00 -0.61 0.00 0.00 39.78 36.57 3fmd n ASN 522 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3fmd n GLY 523 N -1.31 1.10 3.40 7.41 0.00 -1.26 -4.87 105.19 109.66 3fmd n GLY 523 Ca 0.02 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.80 3fmd n GLY 523 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3fmd s SER 524 N -3.04 3.17 0.56 1.61 0.01 -0.93 -5.06 113.70 110.01 3fmd s SER 524 Ca 0.00 -0.92 -0.18 0.00 1.31 0.00 0.00 55.95 56.16 3fmd s SER 524 Cb 0.00 -0.23 -0.05 0.00 0.21 0.00 0.00 66.02 65.95 3fmd s SER 524 CO 0.00 0.03 1.06 -1.00 0.41 0.00 0.00 173.24 173.74 3fmd s HIS 525 N -2.11 2.95 0.41 2.43 3.76 -1.26 -0.21 115.29 121.25 3fmd s HIS 525 Ca 0.22 1.54 -0.24 0.00 -0.15 0.00 0.00 55.06 56.42 3fmd s HIS 525 Cb -0.06 -3.06 -0.09 0.00 1.11 0.00 0.00 32.58 30.49 3fmd s HIS 525 CO 0.10 -1.08 1.10 -0.65 -0.85 0.00 0.00 174.74 173.36 3fmd s GLN 526 N -3.73 4.09 0.55 1.40 -0.21 -1.26 -4.88 119.66 115.62 3fmd s GLN 526 Ca 0.66 1.64 -0.20 0.00 0.02 0.00 0.00 55.36 57.48 3fmd s GLN 526 Cb -0.17 -2.57 -0.05 0.00 1.00 0.00 0.00 33.01 31.22 3fmd s GLN 526 CO 0.30 -0.24 1.16 0.15 -2.12 0.00 0.00 175.29 174.55 3fmd s LYS 527 N -2.44 3.26 0.78 2.91 1.02 -1.26 -4.62 119.74 119.39 3fmd s LYS 527 Ca 0.58 1.71 -0.11 0.00 0.02 0.00 0.00 55.97 58.17 3fmd s LYS 527 Cb -0.25 -2.02 0.07 0.00 -0.52 0.00 0.00 37.83 35.11 3fmd s LYS 527 CO 0.32 -0.95 1.14 0.95 -0.92 0.00 0.00 175.35 175.89 3fmd s THR 528 N -1.69 2.21 0.20 2.17 -4.23 -1.26 -0.73 115.64 112.31 3fmd s THR 528 Ca 0.74 -0.00 -0.10 0.00 -1.18 0.00 0.00 61.69 61.15 3fmd s THR 528 Cb -0.27 -3.05 0.13 0.00 1.34 0.00 0.00 72.50 70.65 3fmd s THR 528 CO 0.30 -0.07 1.78 0.15 -0.54 0.00 0.00 174.62 176.24 3fmd h PHE 529 N -0.93 1.07 -0.96 3.99 3.57 -1.97 -1.54 116.94 120.17 3fmd h PHE 529 Ca -0.46 -0.06 0.08 0.00 3.53 0.00 0.00 57.97 61.06 3fmd h PHE 529 Cb 1.32 -0.33 -0.07 0.00 2.79 0.00 0.00 35.95 39.66 3fmd h PHE 529 CO 0.33 0.80 0.62 0.93 -2.23 0.00 0.00 178.31 178.76 3fmd h GLU 530 N 1.03 1.04 -0.01 1.11 3.07 -2.01 -1.45 114.58 117.35 3fmd h GLU 530 Ca 0.25 -0.06 -0.17 0.00 -0.50 0.00 0.00 59.36 58.88 3fmd h GLU 530 Cb 0.15 -0.23 -0.02 0.00 -0.84 0.00 0.00 28.75 27.81 3fmd h GLU 530 CO -0.03 0.69 -0.76 0.93 -1.40 0.00 0.00 179.01 178.44 3fmd h GLU 531 N 1.07 0.12 0.00 2.33 5.08 -1.78 -3.24 114.58 118.17 3fmd h GLU 531 Ca 0.43 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.67 3fmd h GLU 531 Cb 0.26 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.54 3fmd h GLU 531 CO -0.18 0.82 -0.64 0.97 -1.00 0.00 0.00 179.01 178.98 3fmd h ILE 532 N 0.08 0.00 -0.46 3.13 6.09 -0.81 -3.39 117.51 122.15 3fmd h ILE 532 Ca -0.02 -0.80 0.05 0.00 -1.37 0.00 0.00 64.86 62.72 3fmd h ILE 532 Cb 1.34 1.45 -0.05 0.00 0.47 0.00 0.00 36.82 40.03 3fmd h ILE 532 CO 0.11 0.00 0.19 0.25 -3.07 0.00 0.00 178.15 175.63 3fmd h LEU 533 N 0.00 0.23 -0.96 2.19 5.85 -1.31 -2.49 115.31 118.82 3fmd h LEU 533 Ca 0.00 0.04 0.09 0.00 0.84 0.00 0.00 57.88 58.85 3fmd h LEU 533 Cb 0.90 0.01 -0.07 0.00 0.37 0.00 0.00 40.66 41.87 3fmd h LEU 533 CO 0.00 0.17 0.60 -0.65 -0.34 0.00 0.00 178.44 178.22 3fmd h PRO 534 N 0.38 1.01 -0.79 5.25 0.11 -1.76 0.20 132.00 136.40 3fmd h PRO 534 Ca 0.21 -0.06 -0.04 0.00 0.11 0.00 0.00 66.00 66.22 3fmd h PRO 534 Cb 0.18 -0.23 -0.04 0.00 0.11 0.00 0.00 31.00 31.02 3fmd h PRO 534 CO -0.19 0.67 0.32 1.49 -0.21 0.00 0.00 178.00 180.08 3fmd h GLU 535 N 1.04 1.18 0.15 1.05 4.81 -1.70 0.19 114.58 121.30 3fmd h GLU 535 Ca 0.44 -0.21 -0.01 0.00 -0.13 0.00 0.00 59.36 59.46 3fmd h GLU 535 Cb 0.30 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.49 3fmd h GLU 535 CO -0.21 0.95 -0.07 0.82 -0.73 0.00 0.00 179.01 179.77 3fmd h ILE 536 N 1.15 0.91 -0.23 2.32 2.04 -0.84 -0.42 117.51 122.44 3fmd h ILE 536 Ca 0.27 -0.25 0.02 0.00 1.00 0.00 0.00 64.86 65.90 3fmd h ILE 536 Cb 0.20 1.07 -0.02 0.00 -0.74 0.00 0.00 36.82 37.33 3fmd h ILE 536 CO -0.02 0.06 0.09 0.40 0.00 0.00 0.00 178.15 178.67 3fmd h ILE 537 N -0.32 0.95 -0.38 -0.67 2.04 -0.37 -2.08 117.51 116.68 3fmd h ILE 537 Ca -0.02 -0.07 -0.03 0.00 1.00 0.00 0.00 64.86 65.75 3fmd h ILE 537 Cb 0.25 0.74 -0.02 0.00 -0.74 0.00 0.00 36.82 37.05 3fmd h ILE 537 CO 0.03 0.04 0.14 0.40 0.00 0.00 0.00 178.15 178.76 3fmd h ILE 538 N 0.20 1.20 -0.99 -0.67 2.04 -0.58 -0.97 117.51 117.74 3fmd h ILE 538 Ca 0.10 -0.64 0.04 0.00 1.00 0.00 0.00 64.86 65.37 3fmd h ILE 538 Cb 0.06 0.90 -0.06 0.00 -0.74 0.00 0.00 36.82 36.98 3fmd h ILE 538 CO -0.10 0.23 0.65 0.77 0.00 0.00 0.00 178.15 179.70 3fmd h SER 539 N 0.47 1.07 -0.25 1.72 4.64 -0.84 -1.73 113.55 118.63 3fmd h SER 539 Ca 0.13 -0.01 -0.05 0.00 -0.47 0.00 0.00 61.79 61.39 3fmd h SER 539 Cb 0.21 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 62.06 3fmd h SER 539 CO -0.01 0.72 -0.05 0.11 -0.87 0.00 0.00 176.83 176.73 3fmd h LYS 540 N 1.23 0.48 -0.01 4.77 1.57 -0.72 -2.13 116.57 121.77 3fmd h LYS 540 Ca 0.40 -0.18 0.02 0.00 -1.87 0.00 0.00 60.65 59.02 3fmd h LYS 540 Cb 0.04 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.30 3fmd h LYS 540 CO -0.14 0.69 -0.10 0.93 -0.57 0.00 0.00 179.45 180.27 3fmd h GLU 541 N 0.23 -0.16 -0.23 3.15 4.39 -0.93 -0.95 114.58 120.09 3fmd h GLU 541 Ca 0.07 0.01 -0.10 0.00 0.34 0.00 0.00 59.36 59.67 3fmd h GLU 541 Cb 0.51 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.18 3fmd h GLU 541 CO 0.02 -0.11 -0.30 -0.07 -1.16 0.00 0.00 179.01 177.40 3fmd h LEU 542 N -0.17 0.46 -0.64 1.33 3.38 -1.32 -2.37 115.31 115.98 3fmd h LEU 542 Ca 0.04 -0.17 -0.04 0.00 0.09 0.00 0.00 57.88 57.80 3fmd h LEU 542 Cb 0.22 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 3fmd h LEU 542 CO -0.11 0.74 0.24 -1.28 0.09 0.00 0.00 178.44 178.13 3fmd h SER 543 N 0.39 0.90 0.24 -0.43 0.87 -1.21 -2.94 113.55 111.38 3fmd h SER 543 Ca 0.05 -0.18 -0.00 0.00 -1.23 0.00 0.00 61.79 60.43 3fmd h SER 543 Cb 0.72 -0.23 -0.00 0.00 -0.44 0.00 0.00 62.40 62.45 3fmd h SER 543 CO 0.06 0.84 -0.01 -0.07 -0.53 0.00 0.00 176.83 177.11 3fmd h LEU 544 N 0.91 0.00 -1.95 2.23 3.38 -0.64 -2.41 115.31 116.81 3fmd h LEU 544 Ca 0.21 0.00 0.14 0.00 0.09 0.00 0.00 57.88 58.33 3fmd h LEU 544 Cb 0.23 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 3fmd h LEU 544 CO -0.01 0.01 0.49 -0.07 0.09 0.00 0.00 178.44 178.94 3fmd h LEU 545 N 0.00 0.00 -0.88 1.67 3.38 -1.31 -0.33 115.31 117.84 3fmd h LEU 545 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3fmd h LEU 545 Cb 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 3fmd h LEU 545 CO 0.00 0.00 0.00 0.77 0.09 0.00 0.00 178.44 179.30 3fmd h SER 546 N 0.00 0.00 -0.25 -0.43 4.64 -0.82 -2.40 113.55 114.29 3fmd h SER 546 Ca 0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 3fmd h SER 546 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 3fmd h SER 546 CO -0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 3fmd n GLY 547 N 0.07 1.49 3.96 -0.77 0.00 -0.14 -4.83 105.19 104.96 3fmd n GLY 547 Ca 0.02 -0.44 -0.25 0.00 0.00 0.00 0.00 46.02 45.35 3fmd n GLY 547 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fmd s GLU 548 N -1.07 1.76 -0.11 1.61 0.41 -1.14 -5.08 118.70 115.08 3fmd s GLU 548 Ca 0.23 -0.68 -0.08 0.00 -0.41 0.00 0.00 54.97 54.04 3fmd s GLU 548 Cb 0.13 -2.21 -0.05 0.00 -1.78 0.00 0.00 34.13 30.22 3fmd s GLU 548 CO 0.19 -1.46 -0.18 0.28 -0.49 0.00 0.00 175.26 173.59 3fmd n VAL 549 N -2.97 0.97 0.01 2.63 0.31 -1.26 -4.58 118.33 113.43 3fmd n VAL 549 Ca 0.12 -0.05 -0.18 0.00 -0.01 0.00 0.00 64.34 64.22 3fmd n VAL 549 Cb 0.60 -1.78 -0.10 0.00 -0.91 0.00 0.00 33.84 31.65 3fmd n VAL 549 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3fmd s ASN 551 N -7.01 3.98 -0.05 0.00 0.01 -1.26 -0.34 114.94 110.28 3fmd s ASN 551 Ca -0.11 -2.05 0.04 0.00 -0.71 0.00 0.00 52.86 50.03 3fmd s ASN 551 Cb 0.06 -1.01 -0.00 0.00 0.41 0.00 0.00 41.25 40.71 3fmd s ASN 551 CO 0.88 -0.36 -0.16 -0.60 -1.51 0.00 0.00 177.10 175.35 3fmd s ARG 552 N 1.09 1.75 -0.16 -0.60 3.52 -0.69 -4.64 118.95 119.23 3fmd s ARG 552 Ca 0.13 -0.57 -0.29 0.00 -0.13 0.00 0.00 55.73 54.88 3fmd s ARG 552 Cb -0.20 -1.50 0.09 0.00 -1.56 0.00 0.00 34.95 31.78 3fmd s ARG 552 CO -0.14 0.20 0.82 -0.08 -0.81 0.00 0.00 175.30 175.29 3fmd s THR 553 N 0.15 0.00 -1.02 4.11 -1.32 -0.91 -1.20 115.64 115.44 3fmd s THR 553 Ca -0.06 0.00 0.16 0.00 -1.21 0.00 0.00 61.69 60.58 3fmd s THR 553 Cb -0.12 -1.00 0.68 0.00 -1.51 0.00 0.00 72.50 70.55 3fmd s THR 553 CO 0.03 0.00 1.58 -0.62 -2.21 0.00 0.00 174.62 173.39 3fmd n GLU 554 N 1.45 3.72 0.00 7.08 1.02 -1.26 -1.81 120.64 130.84 3fmd n GLU 554 Ca -0.15 -2.68 0.14 0.00 -0.02 0.00 0.00 57.16 54.45 3fmd n GLU 554 Cb 0.57 -1.92 0.70 0.00 -0.02 0.00 0.00 31.44 30.77 3fmd n GLU 554 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3fmd n GLY 555 N 0.99 -1.37 3.87 0.62 0.00 -1.26 -4.72 105.19 103.33 3fmd n GLY 555 Ca 0.24 -0.12 -0.26 0.00 0.00 0.00 0.00 46.02 45.87 3fmd n GLY 555 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3fmd s PHE 556 N -2.75 3.32 0.30 1.61 0.08 -1.26 -1.16 117.98 118.12 3fmd s PHE 556 Ca 0.22 0.06 -0.29 0.00 0.12 0.00 0.00 56.93 57.04 3fmd s PHE 556 Cb 0.20 -1.60 -0.11 0.00 -0.57 0.00 0.00 43.02 40.94 3fmd s PHE 556 CO 0.49 0.52 1.45 -1.50 -0.10 0.00 0.00 175.22 176.08 3fmd s ILE 557 N -1.73 2.45 0.09 0.64 1.10 -0.32 -4.77 121.20 118.66 3fmd s ILE 557 Ca 0.33 0.40 -0.31 0.00 -0.51 0.00 0.00 60.65 60.56 3fmd s ILE 557 Cb -0.11 -3.26 -0.08 0.00 0.15 0.00 0.00 42.46 39.17 3fmd s ILE 557 CO 0.26 0.08 1.53 -0.83 -2.11 0.00 0.00 174.94 173.86 3fmd s GLY 558 N 0.11 1.71 -0.55 1.50 0.00 -1.26 -4.34 107.32 104.48 3fmd s GLY 558 Ca 0.57 1.17 -0.19 0.00 0.00 0.00 0.00 44.72 46.27 3fmd s GLY 558 CO 0.50 2.63 0.65 -2.27 0.00 0.00 0.00 173.10 174.61 3fmd s LEU 559 N 1.88 5.26 0.10 0.66 2.96 -1.26 -0.55 118.68 127.73 3fmd s LEU 559 Ca 0.69 -1.24 -0.17 0.00 -0.22 0.00 0.00 54.13 53.20 3fmd s LEU 559 Cb -0.39 -2.35 -0.06 0.00 0.50 0.00 0.00 46.19 43.89 3fmd s LEU 559 CO 0.30 -0.99 1.51 0.78 -1.32 0.00 0.00 176.35 176.63 3fmd h ASN 560 N 9.08 0.58 -5.11 3.68 2.35 -0.92 -3.48 115.58 121.77 3fmd h ASN 560 Ca -0.29 -0.35 0.12 0.00 -0.55 0.00 0.00 56.30 55.24 3fmd h ASN 560 Cb 1.09 -0.16 -0.09 0.00 0.05 0.00 0.00 38.32 39.22 3fmd h ASN 560 CO 1.03 0.79 0.40 -0.94 -1.65 0.00 0.00 177.43 177.07 3fmd s SER 561 N -6.16 -0.26 -0.10 5.81 1.04 -1.01 -5.02 113.70 108.00 3fmd s SER 561 Ca -0.13 -0.36 -0.07 0.00 0.48 0.00 0.00 55.95 55.88 3fmd s SER 561 Cb 0.08 0.54 0.04 0.00 0.10 0.00 0.00 66.02 66.78 3fmd s SER 561 CO 0.78 -0.97 0.25 0.54 0.98 0.00 0.00 173.24 174.81 3fmd s VAL 562 N -3.46 -0.03 0.08 5.02 0.11 -1.26 -1.19 120.40 119.68 3fmd s VAL 562 Ca 0.10 0.09 0.02 0.00 -2.93 0.00 0.00 61.98 59.27 3fmd s VAL 562 Cb -0.02 -0.38 -0.03 0.00 -1.53 0.00 0.00 36.38 34.42 3fmd s VAL 562 CO 0.00 0.04 -0.08 -1.00 -3.33 0.00 0.00 175.10 170.73 3fmd s HIS 563 N 0.86 0.88 -0.29 1.54 3.76 -0.37 -5.00 115.29 116.67 3fmd s HIS 563 Ca -0.06 -0.71 -0.11 0.00 -0.15 0.00 0.00 55.06 54.03 3fmd s HIS 563 Cb -0.07 -0.50 -0.04 0.00 1.11 0.00 0.00 32.58 33.08 3fmd s HIS 563 CO -0.05 -0.08 0.18 0.00 -0.85 0.00 0.00 174.74 173.93 3fmd s VAL 565 N 1.72 3.90 -0.13 0.00 1.01 0.08 -0.34 120.40 126.65 3fmd s VAL 565 Ca 0.07 -0.40 0.03 0.00 0.00 0.00 0.00 61.98 61.67 3fmd s VAL 565 Cb -0.16 -2.62 0.01 0.00 0.00 0.00 0.00 36.38 33.61 3fmd s VAL 565 CO 0.09 0.59 -0.22 -1.58 0.00 0.00 0.00 175.10 173.98 3fmd s GLN 566 N -0.71 3.04 0.00 2.72 0.74 0.48 -0.24 119.66 125.69 3fmd s GLN 566 Ca 0.11 -0.86 0.00 0.00 0.05 0.00 0.00 55.36 54.66 3fmd s GLN 566 Cb -0.11 -2.39 0.00 0.00 1.10 0.00 0.00 33.01 31.60 3fmd s GLN 566 CO 0.02 0.06 0.00 0.41 -0.55 0.00 0.00 175.29 175.23 3fmd n GLY 567 N 3.86 -2.37 3.87 2.59 0.00 -0.37 -4.42 105.19 108.35 3fmd n GLY 567 Ca -0.20 -1.41 -0.31 0.00 0.00 0.00 0.00 46.02 44.11 3fmd n GLY 567 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3fmd s SER 568 N -0.16 6.05 0.24 1.61 1.04 -1.20 -4.14 113.70 117.14 3fmd s SER 568 Ca 0.00 1.38 -0.30 0.00 0.48 0.00 0.00 55.95 57.51 3fmd s SER 568 Cb 0.00 -2.38 -0.10 0.00 0.10 0.00 0.00 66.02 63.64 3fmd s SER 568 CO 0.00 -0.98 1.38 -0.47 0.98 0.00 0.00 173.24 174.15 3fmd s TYR 569 N -3.20 3.12 0.19 5.02 5.04 -1.26 -4.92 117.35 121.33 3fmd s TYR 569 Ca 0.56 1.13 -0.32 0.00 -2.44 0.00 0.00 57.07 56.00 3fmd s TYR 569 Cb -0.11 -3.72 -0.11 0.00 0.35 0.00 0.00 41.96 38.36 3fmd s TYR 569 CO 0.54 -2.29 1.68 -2.14 -1.34 0.00 0.00 175.55 172.00 3fmd s PRO 570 N -0.38 4.15 0.34 4.97 0.02 -1.26 -4.89 135.00 137.94 3fmd s PRO 570 Ca 0.57 2.53 0.10 0.00 0.02 0.00 0.00 61.00 64.22 3fmd s PRO 570 Cb -0.40 -3.14 0.86 0.00 0.02 0.00 0.00 34.50 31.85 3fmd s PRO 570 CO 0.42 -0.71 1.79 -1.35 -0.33 0.00 0.00 177.00 176.81 3fmd h PRO 571 N 6.93 0.62 -0.10 5.54 0.11 -1.99 0.23 132.00 143.34 3fmd h PRO 571 Ca -0.43 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 65.59 3fmd h PRO 571 Cb 1.20 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 3fmd h PRO 571 CO 0.94 0.41 -0.18 -0.07 -0.21 0.00 0.00 178.00 178.90 3fmd h LEU 572 N 0.64 0.15 -0.26 2.35 3.38 -1.94 -0.56 115.31 119.07 3fmd h LEU 572 Ca 0.57 -0.03 -0.20 0.00 0.09 0.00 0.00 57.88 58.30 3fmd h LEU 572 Cb 1.06 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.77 3fmd h LEU 572 CO -0.34 0.34 -0.68 -0.07 0.09 0.00 0.00 178.44 177.78 3fmd h LEU 573 N 0.15 0.89 -1.17 1.67 3.38 -1.30 -2.73 115.31 116.20 3fmd h LEU 573 Ca 0.03 -0.54 0.12 0.00 0.09 0.00 0.00 57.88 57.58 3fmd h LEU 573 Cb 0.41 -0.26 -0.07 0.00 0.09 0.00 0.00 40.66 40.82 3fmd h LEU 573 CO 0.03 1.33 0.59 -0.07 0.09 0.00 0.00 178.44 180.41 3fmd h LEU 574 N 0.56 0.80 -0.09 1.67 3.38 -1.01 0.10 115.31 120.71 3fmd h LEU 574 Ca -0.02 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 3fmd h LEU 574 Cb 1.29 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.91 3fmd h LEU 574 CO 0.14 0.44 0.05 0.50 0.09 0.00 0.00 178.44 179.66 3fmd h LYS 575 N 0.86 0.12 -0.67 1.13 3.64 -0.90 0.12 116.57 120.88 3fmd h LYS 575 Ca 0.45 -0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.75 3fmd h LYS 575 Cb 0.52 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.29 3fmd h LYS 575 CO -0.21 0.16 0.15 0.00 -2.27 0.00 0.00 179.45 177.28 3fmd h ALA 576 N 0.96 0.99 -0.31 5.00 0.00 -1.17 -1.40 119.26 123.33 3fmd h ALA 576 Ca 0.03 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.69 3fmd h ALA 576 Cb 0.07 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 3fmd h ALA 576 CO -0.01 0.65 0.20 2.35 0.00 0.00 0.00 179.25 182.44 3fmd h TRP 577 N 1.02 0.40 -0.49 0.00 7.01 -0.46 -2.01 115.95 121.41 3fmd h TRP 577 Ca 0.21 0.00 -0.01 0.00 2.11 0.00 0.00 58.89 61.20 3fmd h TRP 577 Cb 0.38 -0.13 -0.02 0.00 -2.10 0.00 0.00 29.16 27.28 3fmd h TRP 577 CO 0.03 0.28 0.26 -0.44 -2.79 0.00 0.00 178.44 175.78 3fmd h ASP 578 N 0.41 0.62 -0.90 2.65 3.32 -0.55 -1.40 116.42 120.57 3fmd h ASP 578 Ca 0.11 -0.10 0.06 0.00 0.02 0.00 0.00 57.03 57.12 3fmd h ASP 578 Cb -0.02 -0.16 -0.06 0.00 0.22 0.00 0.00 39.33 39.31 3fmd h ASP 578 CO -0.02 0.55 0.57 -0.74 -1.72 0.00 0.00 179.24 177.87 3fmd h HIS 579 N 0.65 1.05 0.32 4.55 2.76 -1.08 -1.24 115.15 122.17 3fmd h HIS 579 Ca 0.17 0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 58.36 3fmd h HIS 579 Cb 0.07 -0.34 0.00 0.00 1.55 0.00 0.00 27.41 28.69 3fmd h HIS 579 CO -0.02 0.55 -0.15 -0.92 -1.30 0.00 0.00 177.93 176.09 3fmd h TYR 580 N 1.04 -0.40 -0.87 5.26 3.20 -1.19 -2.36 116.97 121.65 3fmd h TYR 580 Ca 0.38 -0.01 0.20 0.00 3.14 0.00 0.00 58.73 62.45 3fmd h TYR 580 Cb 0.14 0.13 -0.12 0.00 1.54 0.00 0.00 36.73 38.43 3fmd h TYR 580 CO -0.02 -0.21 0.38 -0.97 -1.64 0.00 0.00 178.16 175.70 3fmd h ASN 581 N -0.50 0.33 0.38 -2.11 -1.24 -0.99 0.59 115.58 112.04 3fmd h ASN 581 Ca -0.04 0.14 -0.11 0.00 0.71 0.00 0.00 56.30 57.00 3fmd h ASN 581 Cb 0.37 0.12 -0.01 0.00 0.73 0.00 0.00 38.32 39.53 3fmd h ASN 581 CO 0.07 0.04 -0.47 0.28 -1.29 0.00 0.00 177.43 176.06 3fmd h SER 582 N 0.43 0.12 0.00 1.15 0.02 -1.12 -1.66 113.55 112.48 3fmd h SER 582 Ca 0.53 -0.06 -0.45 0.00 -0.84 0.00 0.00 61.79 60.97 3fmd h SER 582 Cb 0.95 -0.03 -0.07 0.00 0.14 0.00 0.00 62.40 63.39 3fmd h SER 582 CO -0.50 0.58 -2.51 0.35 -1.14 0.00 0.00 176.83 173.61 3fmd n THR 583 N -3.98 1.48 -0.07 -2.27 -2.24 -0.50 -4.68 114.28 102.02 3fmd n THR 583 Ca -0.02 -0.39 -0.06 0.00 -2.27 0.00 0.00 64.05 61.31 3fmd n THR 583 Cb 0.51 -1.82 -0.16 0.00 -2.10 0.00 0.00 70.33 66.75 3fmd n THR 583 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3fmd n LYS 584 N -4.12 0.68 0.00 -0.78 5.02 0.20 -5.10 118.16 114.06 3fmd n LYS 584 Ca -0.53 -0.01 0.00 0.00 -2.02 0.00 0.00 58.31 55.75 3fmd n LYS 584 Cb 0.89 -1.55 0.00 0.00 -0.02 0.00 0.00 35.03 34.35 3fmd n LYS 584 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3fmd n GLY 585 N 1.64 -0.85 3.12 0.72 0.00 -0.62 -4.98 105.19 104.21 3fmd n GLY 585 Ca -0.26 -1.44 -0.18 0.00 0.00 0.00 0.00 46.02 44.14 3fmd n GLY 585 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3fmd s SER 586 N -1.66 1.43 0.00 1.61 0.15 -1.26 -4.60 113.70 109.36 3fmd s SER 586 Ca 0.00 -0.46 0.27 0.00 0.70 0.00 0.00 55.95 56.46 3fmd s SER 586 Cb 0.00 -0.07 0.88 0.00 -1.71 0.00 0.00 66.02 65.12 3fmd s SER 586 CO 0.00 -0.02 1.66 0.00 1.20 0.00 0.00 173.24 176.08 3fmd n ALA 587 N 1.84 3.02 -2.77 5.45 0.00 -1.26 -4.97 120.51 121.82 3fmd n ALA 587 Ca -0.19 -0.29 -0.27 0.00 0.00 0.00 0.00 53.44 52.68 3fmd n ALA 587 Cb 0.55 -1.24 -0.03 0.00 0.00 0.00 0.00 19.45 18.73 3fmd n ALA 587 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3fmd s ASN 588 N -2.75 6.38 0.31 0.00 -0.87 -1.26 -4.97 114.94 111.78 3fmd s ASN 588 Ca 0.19 0.40 -0.29 0.00 -1.57 0.00 0.00 52.86 51.59 3fmd s ASN 588 Cb 0.19 -2.01 -0.10 0.00 -0.02 0.00 0.00 41.25 39.31 3fmd s ASN 588 CO 0.57 -0.04 1.27 -1.81 -2.57 0.00 0.00 177.10 174.52 3fmd s ASP 589 N -3.17 6.87 0.13 -1.22 1.01 -1.26 -4.97 116.67 114.06 3fmd s ASP 589 Ca 0.38 2.60 -0.31 0.00 0.71 0.00 0.00 52.55 55.93 3fmd s ASP 589 Cb -0.11 -2.64 -0.10 0.00 1.01 0.00 0.00 42.92 41.08 3fmd s ASP 589 CO 0.29 -0.47 1.67 -0.60 0.21 0.00 0.00 175.17 176.27 3fmd s ARG 590 N -1.59 4.18 -1.36 8.23 3.52 -1.26 -4.86 118.95 125.81 3fmd s ARG 590 Ca 0.49 2.43 -0.08 0.00 -0.13 0.00 0.00 55.73 58.44 3fmd s ARG 590 Cb -0.38 -3.37 0.10 0.00 -1.56 0.00 0.00 34.95 29.74 3fmd s ARG 590 CO 0.50 -0.71 2.28 -0.35 -0.81 0.00 0.00 175.30 176.20 3fmd n PRO 591 N 4.83 4.06 -0.02 5.12 -0.04 -1.26 -4.47 135.00 143.22 3fmd n PRO 591 Ca 0.16 -3.27 0.01 0.00 -0.04 0.00 0.00 63.50 60.35 3fmd n PRO 591 Cb 0.39 -2.79 0.02 0.00 -0.04 0.00 0.00 33.50 31.08 3fmd n PRO 591 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3fmd n ASP 592 N 2.93 2.11 -0.44 3.54 5.68 -1.26 -4.59 116.55 124.51 3fmd n ASP 592 Ca 0.56 -2.03 0.05 0.00 -0.50 0.00 0.00 54.79 52.87 3fmd n ASP 592 Cb 0.29 -0.04 0.08 0.00 -1.14 0.00 0.00 41.12 40.31 3fmd n ASP 592 CO 0.00 0.00 0.00 2.22 -1.33 0.00 0.00 177.20 178.09 3fmd n PHE 593 N -0.41 0.17 -2.65 2.11 -1.74 -1.26 -4.98 117.46 108.69 3fmd n PHE 593 Ca 0.02 -0.22 -0.40 0.00 -0.56 0.00 0.00 57.45 56.28 3fmd n PHE 593 Cb 0.28 -0.01 -0.05 0.00 1.52 0.00 0.00 39.48 41.22 3fmd n PHE 593 CO 0.00 0.00 0.00 -0.06 -0.56 0.00 0.00 176.76 176.14 3fmd s PHE 594 N -0.88 3.82 0.61 2.97 0.08 -1.26 -5.07 117.98 118.26 3fmd s PHE 594 Ca 0.15 1.82 -0.01 0.00 0.12 0.00 0.00 56.93 59.00 3fmd s PHE 594 Cb 0.09 -3.10 0.05 0.00 -0.57 0.00 0.00 43.02 39.49 3fmd s PHE 594 CO 0.12 0.06 0.87 0.15 -0.10 0.00 0.00 175.22 176.32 3fmd s LYS 595 N -1.04 2.38 0.00 0.44 -0.14 -1.26 -4.54 119.74 115.57 3fmd s LYS 595 Ca 0.43 -0.62 0.19 0.00 -1.36 0.00 0.00 55.97 54.62 3fmd s LYS 595 Cb -0.28 -2.37 0.98 0.00 -1.68 0.00 0.00 37.83 34.48 3fmd s LYS 595 CO 0.34 -0.93 1.60 -0.40 -0.76 0.00 0.00 175.35 175.21 3fmd n ASP 596 N -2.56 0.00 -0.89 2.83 5.75 -1.26 -1.59 116.55 118.83 3fmd n ASP 596 Ca 0.08 0.02 0.12 0.00 -0.01 0.00 0.00 54.79 55.00 3fmd n ASP 596 Cb 0.60 -0.29 0.24 0.00 -1.03 0.00 0.00 41.12 40.64 3fmd n ASP 596 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 3fmd n ASP 597 N -1.29 2.73 -4.74 -1.12 5.75 -1.26 -3.72 116.55 112.91 3fmd n ASP 597 Ca 0.09 -1.88 -0.41 0.00 -0.01 0.00 0.00 54.79 52.57 3fmd n ASP 597 Cb 0.16 -0.09 -0.02 0.00 -1.03 0.00 0.00 41.12 40.14 3fmd n ASP 597 CO 0.00 0.00 0.00 -1.58 -0.11 0.00 0.00 177.20 175.51 3fmd s GLN 598 N -1.83 4.22 0.11 0.11 2.00 -0.62 -4.73 119.66 118.93 3fmd s GLN 598 Ca 0.33 2.38 -0.07 0.00 -2.00 0.00 0.00 55.36 56.00 3fmd s GLN 598 Cb 0.21 -3.09 -0.06 0.00 0.80 0.00 0.00 33.01 30.87 3fmd s GLN 598 CO 0.31 -0.50 0.39 -0.51 -0.50 0.00 0.00 175.29 174.48 3fmd s LEU 599 N -0.24 4.30 0.02 3.68 1.43 -1.26 -1.23 118.68 125.38 3fmd s LEU 599 Ca 0.62 0.69 -0.01 0.00 -1.03 0.00 0.00 54.13 54.39 3fmd s LEU 599 Cb -0.44 -3.17 -0.02 0.00 0.03 0.00 0.00 46.19 42.60 3fmd s LEU 599 CO 0.43 0.10 -0.00 -0.36 0.23 0.00 0.00 176.35 176.75 3fmd s PHE 600 N -1.54 0.26 -0.19 0.29 0.08 0.67 -1.70 117.98 115.85 3fmd s PHE 600 Ca 0.37 -0.54 -0.07 0.00 0.12 0.00 0.00 56.93 56.81 3fmd s PHE 600 Cb -0.13 -0.19 -0.04 0.00 -0.57 0.00 0.00 43.02 42.09 3fmd s PHE 600 CO 0.21 -0.23 0.06 0.42 -0.10 0.00 0.00 175.22 175.57 3fmd s ILE 601 N -1.80 4.69 -0.20 0.64 -1.09 0.51 -0.74 121.20 123.21 3fmd s ILE 601 Ca -0.13 -0.07 0.01 0.00 -2.23 0.00 0.00 60.65 58.24 3fmd s ILE 601 Cb -0.07 -3.11 0.03 0.00 -1.58 0.00 0.00 42.46 37.72 3fmd s ILE 601 CO -0.02 0.45 -0.18 -0.69 -1.23 0.00 0.00 174.94 173.27 3fmd s VAL 602 N 0.48 2.11 -0.29 2.92 1.01 -0.14 -0.87 120.40 125.61 3fmd s VAL 602 Ca 0.03 -1.08 -0.05 0.00 0.00 0.00 0.00 61.98 60.88 3fmd s VAL 602 Cb -0.13 -1.96 0.02 0.00 0.00 0.00 0.00 36.38 34.31 3fmd s VAL 602 CO 0.01 0.42 0.04 -0.76 0.00 0.00 0.00 175.10 174.80 3fmd s LEU 603 N 1.25 3.76 -0.43 3.92 1.43 -0.36 -1.23 118.68 127.02 3fmd s LEU 603 Ca 0.02 -0.90 -0.21 0.00 -1.03 0.00 0.00 54.13 52.02 3fmd s LEU 603 Cb -0.15 -1.80 0.02 0.00 0.03 0.00 0.00 46.19 44.30 3fmd s LEU 603 CO -0.11 -0.21 0.64 -0.70 0.23 0.00 0.00 176.35 176.21 3fmd s GLU 604 N 1.40 3.35 -0.01 1.70 2.12 -0.34 -0.90 118.70 126.03 3fmd s GLU 604 Ca 0.00 -0.30 -0.03 0.00 0.36 0.00 0.00 54.97 55.01 3fmd s GLU 604 Cb -0.18 -3.93 -0.04 0.00 0.26 0.00 0.00 34.13 30.25 3fmd s GLU 604 CO 0.00 -0.97 0.18 -0.06 -0.54 0.00 0.00 175.26 173.87 3fmd s PHE 605 N 2.81 3.54 0.31 5.30 0.08 0.13 -0.21 117.98 129.93 3fmd s PHE 605 Ca 0.23 0.35 -0.29 0.00 0.12 0.00 0.00 56.93 57.35 3fmd s PHE 605 Cb -0.14 -1.83 -0.13 0.00 -0.57 0.00 0.00 43.02 40.36 3fmd s PHE 605 CO 0.18 0.65 1.30 -1.91 -0.10 0.00 0.00 175.22 175.34 3fmd n GLU 606 N 0.98 2.07 -2.18 0.44 2.13 0.29 -0.60 120.64 123.77 3fmd n GLU 606 Ca -0.11 0.73 -0.42 0.00 0.66 0.00 0.00 57.16 58.01 3fmd n GLU 606 Cb 0.53 -2.32 -0.03 0.00 0.27 0.00 0.00 31.44 29.89 3fmd n GLU 606 CO 0.00 0.00 0.00 0.12 -0.41 0.00 0.00 177.13 176.84 3fmd s PHE 607 N -0.83 2.99 -0.80 4.31 5.36 -1.25 -4.58 117.98 123.18 3fmd s PHE 607 Ca 0.59 0.84 0.12 0.00 -0.96 0.00 0.00 56.93 57.52 3fmd s PHE 607 Cb -0.59 -3.69 -0.09 0.00 -0.34 0.00 0.00 43.02 38.31 3fmd s PHE 607 CO 0.59 -2.52 0.60 0.41 -1.46 0.00 0.00 175.22 172.84 3fmd n GLY 608 N 3.60 -0.13 0.00 13.12 0.00 -1.26 -5.03 105.19 115.49 3fmd n GLY 608 Ca 0.13 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.79 3fmd n GLY 608 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fmd n GLY 609 N 1.19 0.58 3.30 -0.02 0.00 -1.26 -3.47 105.19 105.50 3fmd n GLY 609 Ca 0.03 -1.74 -0.32 0.00 0.00 0.00 0.00 46.02 44.00 3fmd n GLY 609 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3fmd s ILE 610 N 0.00 2.24 0.66 -0.61 -1.09 -0.66 -4.76 121.20 116.98 3fmd s ILE 610 Ca 0.00 -1.00 -0.16 0.00 -2.23 0.00 0.00 60.65 57.26 3fmd s ILE 610 Cb 0.00 -1.82 0.00 0.00 -1.58 0.00 0.00 42.46 39.06 3fmd s ILE 610 CO 0.00 0.57 1.14 1.51 -1.23 0.00 0.00 174.94 176.93 3fmd s ASP 611 N -0.21 4.97 0.39 3.58 1.47 -1.26 -0.77 116.67 124.83 3fmd s ASP 611 Ca -0.02 2.12 0.12 0.00 1.18 0.00 0.00 52.55 55.96 3fmd s ASP 611 Cb -0.13 -2.57 0.93 0.00 -0.34 0.00 0.00 42.92 40.81 3fmd s ASP 611 CO 0.03 -1.73 1.89 0.25 0.68 0.00 0.00 175.17 176.29 3fmd h LEU 612 N 0.14 0.53 -0.29 2.11 5.85 -0.38 -1.44 115.31 121.82 3fmd h LEU 612 Ca -0.48 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.27 3fmd h LEU 612 Cb 1.26 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.21 3fmd h LEU 612 CO 0.53 0.26 0.16 -0.08 -0.34 0.00 0.00 178.44 178.98 3fmd h GLU 613 N 0.56 0.40 0.00 1.25 4.22 -1.79 -0.21 114.58 119.01 3fmd h GLU 613 Ca 0.42 -0.04 -0.05 0.00 0.08 0.00 0.00 59.36 59.77 3fmd h GLU 613 Cb 0.82 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.98 3fmd h GLU 613 CO -0.17 0.34 -0.22 1.96 -2.18 0.00 0.00 179.01 178.74 3fmd h GLN 614 N 0.35 0.00 -0.12 1.92 1.08 -1.67 -2.50 115.11 114.18 3fmd h GLN 614 Ca 0.10 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.30 3fmd h GLN 614 Cb 0.05 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.48 3fmd h GLN 614 CO -0.02 0.22 0.00 -1.33 -0.95 0.00 0.00 178.83 176.75 3fmd n MET 615 N -3.97 1.78 -0.16 1.46 2.81 -0.62 -4.56 117.12 113.85 3fmd n MET 615 Ca -0.02 -1.15 0.07 0.00 -1.81 0.00 0.00 57.70 54.78 3fmd n MET 615 Cb 0.30 -1.43 0.13 0.00 -0.71 0.00 0.00 33.22 31.51 3fmd n MET 615 CO 0.00 0.00 0.00 -2.13 1.51 0.00 0.00 175.97 175.35 3fmd n ARG 616 N 0.38 -0.04 -0.36 0.03 0.63 -0.15 -0.28 116.66 116.86 3fmd n ARG 616 Ca 0.17 0.70 0.09 0.00 -0.92 0.00 0.00 57.85 57.89 3fmd n ARG 616 Cb 0.36 -1.11 0.27 0.00 0.45 0.00 0.00 32.46 32.44 3fmd n ARG 616 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 3fmd n THR 617 N -4.54 1.24 -0.38 5.15 -2.24 -1.26 -1.49 114.28 110.76 3fmd n THR 617 Ca 0.11 -1.09 0.00 0.00 -2.27 0.00 0.00 64.05 60.80 3fmd n THR 617 Cb 0.35 0.38 0.00 0.00 -2.10 0.00 0.00 70.33 68.96 3fmd n THR 617 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3fmd n LYS 618 N 1.07 0.09 -2.65 -0.78 5.02 0.61 -4.54 118.16 116.98 3fmd n LYS 618 Ca 0.21 -0.54 -0.41 0.00 -2.02 0.00 0.00 58.31 55.55 3fmd n LYS 618 Cb 0.63 -0.81 -0.05 0.00 -0.02 0.00 0.00 35.03 34.78 3fmd n LYS 618 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3fmd s LEU 619 N -0.18 4.53 0.07 -0.35 1.43 -1.19 -4.87 118.68 118.14 3fmd s LEU 619 Ca 0.00 1.95 -0.28 0.00 -1.03 0.00 0.00 54.13 54.77 3fmd s LEU 619 Cb 0.00 -3.60 -0.17 0.00 0.03 0.00 0.00 46.19 42.45 3fmd s LEU 619 CO 0.00 -0.07 1.64 -1.28 0.23 0.00 0.00 176.35 176.87 3fmd h SER 620 N 5.01 -0.41 -5.25 2.29 0.87 -1.94 -0.03 113.55 114.09 3fmd h SER 620 Ca -0.44 -0.01 -0.12 0.00 -1.23 0.00 0.00 61.79 60.00 3fmd h SER 620 Cb 1.21 0.11 -0.05 0.00 -0.44 0.00 0.00 62.40 63.22 3fmd h SER 620 CO 0.71 -0.27 0.02 -0.94 -0.53 0.00 0.00 176.83 175.82 3fmd s SER 621 N -4.79 0.32 0.54 6.23 1.04 -1.26 -1.14 113.70 114.64 3fmd s SER 621 Ca -0.15 -1.20 0.33 0.00 0.48 0.00 0.00 55.95 55.40 3fmd s SER 621 Cb 0.04 0.72 1.36 0.00 0.10 0.00 0.00 66.02 68.25 3fmd s SER 621 CO 0.63 -1.42 1.99 -0.07 0.98 0.00 0.00 173.24 175.35 3fmd h LEU 622 N 2.09 0.00 -0.87 2.42 -0.00 -1.92 -1.26 115.31 115.78 3fmd h LEU 622 Ca -0.29 0.00 -0.10 0.00 -0.00 0.00 0.00 57.88 57.50 3fmd h LEU 622 Cb 1.25 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.89 3fmd h LEU 622 CO 0.38 0.04 -0.18 0.00 -0.00 0.00 0.00 178.44 178.67 3fmd h ALA 623 N 1.96 1.04 -0.39 1.53 0.00 -1.95 0.92 119.26 122.38 3fmd h ALA 623 Ca -0.00 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 3fmd h ALA 623 Cb 0.51 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 3fmd h ALA 623 CO 0.00 0.58 0.15 1.15 0.00 0.00 0.00 179.25 181.14 3fmd h THR 624 N 0.57 1.19 -0.32 0.00 2.02 -1.61 0.52 112.91 115.28 3fmd h THR 624 Ca 0.09 -0.60 -0.09 0.00 0.77 0.00 0.00 66.41 66.58 3fmd h THR 624 Cb 0.63 0.86 -0.02 0.00 -1.74 0.00 0.00 68.15 67.89 3fmd h THR 624 CO 0.04 0.22 -0.18 0.00 0.37 0.00 0.00 175.52 175.97 3fmd h ALA 625 N 1.00 1.10 -0.38 6.16 0.00 -1.12 -1.41 119.26 124.61 3fmd h ALA 625 Ca 0.13 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 54.68 3fmd h ALA 625 Cb 0.19 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3fmd h ALA 625 CO -0.01 0.56 0.07 -0.22 0.00 0.00 0.00 179.25 179.64 3fmd h LYS 626 N 0.53 0.63 -0.64 0.00 3.64 -0.44 -1.40 116.57 118.88 3fmd h LYS 626 Ca 0.09 -0.17 0.03 0.00 -1.27 0.00 0.00 60.65 59.33 3fmd h LYS 626 Cb 0.60 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.31 3fmd h LYS 626 CO 0.04 0.68 0.40 1.03 -2.27 0.00 0.00 179.45 179.33 3fmd h SER 627 N 0.48 0.66 -0.33 4.20 0.87 -0.56 0.01 113.55 118.86 3fmd h SER 627 Ca 0.12 -0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.67 3fmd h SER 627 Cb 0.35 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 62.16 3fmd h SER 627 CO 0.01 0.46 0.17 0.40 -0.53 0.00 0.00 176.83 177.33 3fmd h ILE 628 N 0.79 1.15 -0.30 2.23 2.04 -1.11 0.88 117.51 123.19 3fmd h ILE 628 Ca 0.26 -0.41 -0.08 0.00 1.00 0.00 0.00 64.86 65.62 3fmd h ILE 628 Cb 0.01 0.81 -0.02 0.00 -0.74 0.00 0.00 36.82 36.89 3fmd h ILE 628 CO -0.10 0.16 -0.14 -0.07 0.00 0.00 0.00 178.15 177.99 3fmd h LEU 629 N 0.41 0.50 -0.15 1.44 3.38 -1.06 -1.30 115.31 118.52 3fmd h LEU 629 Ca 0.12 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 3fmd h LEU 629 Cb 0.09 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 3fmd h LEU 629 CO -0.02 0.67 -0.00 -0.74 0.09 0.00 0.00 178.44 178.45 3fmd h HIS 630 N 0.47 0.30 -0.48 1.13 2.76 -0.61 -1.02 115.15 117.71 3fmd h HIS 630 Ca 0.08 -0.05 0.06 0.00 -2.20 0.00 0.00 60.37 58.27 3fmd h HIS 630 Cb 0.53 -0.08 -0.05 0.00 1.55 0.00 0.00 27.41 29.36 3fmd h HIS 630 CO 0.02 0.50 0.17 1.96 -1.30 0.00 0.00 177.93 179.27 3fmd h GLN 631 N 0.01 0.33 -0.55 5.26 4.20 -0.59 -1.19 115.11 122.59 3fmd h GLN 631 Ca 0.04 -0.02 -0.05 0.00 0.06 0.00 0.00 58.65 58.69 3fmd h GLN 631 Cb 0.38 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.06 3fmd h GLN 631 CO 0.01 0.22 0.16 -0.07 -0.67 0.00 0.00 178.83 178.48 3fmd h LEU 632 N 0.34 0.80 0.11 1.46 3.38 -1.15 -1.15 115.31 119.10 3fmd h LEU 632 Ca 0.23 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 3fmd h LEU 632 Cb 0.23 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.78 3fmd h LEU 632 CO -0.23 0.80 -0.05 0.74 0.09 0.00 0.00 178.44 179.79 3fmd h THR 633 N 0.76 0.96 -0.49 0.22 2.02 -0.83 -1.60 112.91 113.94 3fmd h THR 633 Ca 0.18 -0.24 0.09 0.00 0.77 0.00 0.00 66.41 67.20 3fmd h THR 633 Cb 0.29 1.11 -0.07 0.00 -1.74 0.00 0.00 68.15 67.74 3fmd h THR 633 CO -0.00 0.06 0.07 0.00 0.37 0.00 0.00 175.52 176.01 3fmd h ALA 634 N 0.62 0.52 0.08 6.16 0.00 -1.19 0.13 119.26 125.58 3fmd h ALA 634 Ca -0.02 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3fmd h ALA 634 Cb 0.21 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3fmd h ALA 634 CO 0.02 -0.33 -0.07 0.77 0.00 0.00 0.00 179.25 179.64 3fmd h SER 635 N 0.20 -0.18 -0.78 0.00 0.02 -1.15 -0.78 113.55 110.87 3fmd h SER 635 Ca 0.25 0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.20 3fmd h SER 635 Cb 0.34 0.06 -0.04 0.00 0.14 0.00 0.00 62.40 62.91 3fmd h SER 635 CO -0.35 -0.11 0.43 -0.07 -1.14 0.00 0.00 176.83 175.59 3fmd h LEU 636 N -0.17 0.98 -0.15 5.07 3.38 -0.97 -1.85 115.31 121.60 3fmd h LEU 636 Ca 0.00 -0.10 0.02 0.00 0.09 0.00 0.00 57.88 57.90 3fmd h LEU 636 Cb 0.16 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 3fmd h LEU 636 CO -0.01 0.79 -0.00 0.00 0.09 0.00 0.00 178.44 179.31 3fmd h ALA 637 N 1.23 0.13 -0.94 1.53 0.00 -0.43 0.22 119.26 120.99 3fmd h ALA 637 Ca 0.28 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.22 3fmd h ALA 637 Cb 0.03 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.84 3fmd h ALA 637 CO -0.04 -0.45 0.56 0.28 0.00 0.00 0.00 179.25 179.59 3fmd h VAL 638 N 0.05 1.26 -0.29 0.00 2.07 -0.92 -0.15 116.25 118.28 3fmd h VAL 638 Ca 0.07 -0.59 -0.13 0.00 0.82 0.00 0.00 66.70 66.87 3fmd h VAL 638 Cb 0.09 -0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 29.79 3fmd h VAL 638 CO -0.12 0.28 -0.36 0.00 0.02 0.00 0.00 177.57 177.39 3fmd h ALA 639 N 1.31 0.83 -0.32 1.67 0.00 -1.03 -0.09 119.26 121.63 3fmd h ALA 639 Ca 0.34 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 3fmd h ALA 639 Cb -0.04 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3fmd h ALA 639 CO -0.06 0.64 0.18 0.93 0.00 0.00 0.00 179.25 180.94 3fmd h GLU 640 N 0.54 0.45 -0.31 0.00 5.08 -0.07 0.17 114.58 120.45 3fmd h GLU 640 Ca 0.05 -0.05 -0.11 0.00 -1.00 0.00 0.00 59.36 58.26 3fmd h GLU 640 Cb 0.87 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.02 3fmd h GLU 640 CO 0.08 0.37 -0.24 0.00 -1.00 0.00 0.00 179.01 178.22 3fmd h ALA 641 N 1.05 0.44 0.17 3.43 0.00 -0.80 -0.79 119.26 122.76 3fmd h ALA 641 Ca 0.11 -0.38 -0.30 0.00 0.00 0.00 0.00 54.91 54.35 3fmd h ALA 641 Cb 0.05 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 17.75 3fmd h ALA 641 CO -0.02 0.41 -1.36 1.03 0.00 0.00 0.00 179.25 179.32 3fmd h SER 642 N 0.45 0.55 0.00 0.00 0.87 -0.99 -3.41 113.55 111.02 3fmd h SER 642 Ca 0.06 -0.61 0.00 0.00 -1.23 0.00 0.00 61.79 60.01 3fmd h SER 642 Cb 0.79 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 62.57 3fmd h SER 642 CO 0.06 1.48 0.00 0.18 -0.53 0.00 0.00 176.83 178.02 3fmd n LEU 643 N -3.58 0.53 -3.94 2.23 4.77 0.57 -4.96 117.00 112.62 3fmd n LEU 643 Ca -0.12 -0.53 -0.25 0.00 -0.03 0.00 0.00 56.01 55.08 3fmd n LEU 643 Cb 1.05 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 42.13 3fmd n LEU 643 CO 0.55 0.13 -0.20 0.54 -1.33 0.00 0.00 177.39 177.08 3fmd n ARG 644 N -0.09 -3.50 -2.88 3.23 1.74 -0.30 -0.64 116.66 114.22 3fmd n ARG 644 Ca 0.00 0.43 -0.40 0.00 -0.77 0.00 0.00 57.85 57.11 3fmd n ARG 644 Cb 0.29 -4.64 -0.05 0.00 -1.02 0.00 0.00 32.46 27.04 3fmd n ARG 644 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 3fmd s PHE 645 N -3.89 3.80 -0.12 -1.55 5.36 -1.12 -4.29 117.98 116.17 3fmd s PHE 645 Ca 0.05 1.64 0.02 0.00 -0.96 0.00 0.00 56.93 57.68 3fmd s PHE 645 Cb -0.03 -2.91 0.01 0.00 -0.34 0.00 0.00 43.02 39.76 3fmd s PHE 645 CO 0.88 0.30 -0.19 -1.21 -1.46 0.00 0.00 175.22 173.54 3fmd s GLU 646 N -0.26 2.63 0.12 10.12 2.02 0.04 -4.38 118.70 128.99 3fmd s GLU 646 Ca 0.41 -0.71 -0.16 0.00 0.02 0.00 0.00 54.97 54.53 3fmd s GLU 646 Cb -0.22 -2.17 -0.02 0.00 0.10 0.00 0.00 34.13 31.82 3fmd s GLU 646 CO 0.26 -0.04 1.61 1.25 0.02 0.00 0.00 175.26 178.36 3fmd h HIS 647 N 7.37 0.65 0.00 1.61 -0.00 -1.94 -0.88 115.15 121.97 3fmd h HIS 647 Ca -0.32 -0.08 0.00 0.00 -0.00 0.00 0.00 60.37 59.97 3fmd h HIS 647 Cb 1.18 -0.18 0.00 0.00 -0.00 0.00 0.00 27.41 28.41 3fmd h HIS 647 CO 0.47 0.65 0.00 0.54 -0.00 0.00 0.00 177.93 179.59 3fmd n ARG 648 N -4.56 0.00 -2.69 5.26 1.74 -1.26 -3.10 116.66 112.04 3fmd n ARG 648 Ca -0.01 0.00 -0.07 0.00 -0.77 0.00 0.00 57.85 57.00 3fmd n ARG 648 Cb 0.22 -3.70 0.10 0.00 -1.02 0.00 0.00 32.46 28.06 3fmd n ARG 648 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3fmd n ASP 649 N 0.00 -1.08 -3.66 0.55 2.03 -1.26 -4.95 116.55 108.18 3fmd n ASP 649 Ca 0.00 -2.48 -0.41 0.00 0.52 0.00 0.00 54.79 52.42 3fmd n ASP 649 Cb 0.00 0.63 0.00 0.00 -0.72 0.00 0.00 41.12 41.03 3fmd n ASP 649 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 3fmd n LEU 650 N -0.57 7.43 -4.82 -2.67 7.94 -1.26 -4.88 117.00 118.16 3fmd n LEU 650 Ca -0.02 -4.91 -0.29 0.00 -1.11 0.00 0.00 56.01 49.69 3fmd n LEU 650 Cb 0.85 -1.36 0.13 0.00 0.53 0.00 0.00 43.42 43.57 3fmd n LEU 650 CO -0.01 1.83 0.75 -1.38 -1.11 0.00 0.00 177.39 177.47 3fmd s HIS 651 N -1.23 2.42 -1.02 1.96 -3.43 -1.26 -4.87 115.29 107.86 3fmd s HIS 651 Ca 0.46 0.75 0.19 0.00 -0.80 0.00 0.00 55.06 55.66 3fmd s HIS 651 Cb 0.15 -3.50 0.84 0.00 -1.43 0.00 0.00 32.58 28.64 3fmd s HIS 651 CO -0.05 -2.32 1.62 -2.67 -2.00 0.00 0.00 174.74 169.32 3fmd n TRP 652 N -3.70 0.00 0.45 0.38 4.27 -1.26 -1.25 117.44 116.33 3fmd n TRP 652 Ca 0.08 0.00 0.11 0.00 -3.89 0.00 0.00 57.50 53.80 3fmd n TRP 652 Cb 0.60 -0.49 0.44 0.00 -1.36 0.00 0.00 31.31 30.50 3fmd n TRP 652 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 3fmd n GLY 653 N 0.51 -1.23 1.17 -1.67 0.00 -1.26 -2.55 105.19 100.15 3fmd n GLY 653 Ca 0.05 0.04 0.08 0.00 0.00 0.00 0.00 46.02 46.19 3fmd n GLY 653 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3fmd n ASN 654 N -2.02 4.24 -4.04 1.61 3.02 -0.38 -4.81 115.26 112.87 3fmd n ASN 654 Ca 0.03 -2.71 -0.32 0.00 -0.03 0.00 0.00 54.58 51.55 3fmd n ASN 654 Cb 0.23 -0.52 -0.15 0.00 -0.61 0.00 0.00 39.78 38.72 3fmd n ASN 654 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3fmd s VAL 655 N -2.30 2.17 0.11 2.41 1.01 -1.25 -2.24 120.40 120.30 3fmd s VAL 655 Ca 0.43 -1.89 -0.05 0.00 0.00 0.00 0.00 61.98 60.48 3fmd s VAL 655 Cb 0.31 -2.41 -0.05 0.00 0.00 0.00 0.00 36.38 34.23 3fmd s VAL 655 CO 0.15 -0.25 0.34 -0.76 0.00 0.00 0.00 175.10 174.57 3fmd s LEU 656 N 1.04 4.30 -0.05 3.92 1.43 0.08 -0.20 118.68 129.19 3fmd s LEU 656 Ca -0.01 0.55 0.02 0.00 -1.03 0.00 0.00 54.13 53.66 3fmd s LEU 656 Cb -0.20 -3.15 0.01 0.00 0.03 0.00 0.00 46.19 42.88 3fmd s LEU 656 CO -0.06 0.10 -0.11 -0.76 0.23 0.00 0.00 176.35 175.75 3fmd s LEU 657 N -2.46 1.64 0.03 1.79 1.43 0.05 -1.01 118.68 120.15 3fmd s LEU 657 Ca 0.38 -0.26 0.01 0.00 -1.03 0.00 0.00 54.13 53.23 3fmd s LEU 657 Cb -0.13 -0.74 -0.02 0.00 0.03 0.00 0.00 46.19 45.33 3fmd s LEU 657 CO 0.24 0.04 -0.05 -1.59 0.23 0.00 0.00 176.35 175.21 3fmd s LYS 658 N 0.57 0.40 0.40 1.70 -2.85 -0.92 -1.65 119.74 117.40 3fmd s LYS 658 Ca -0.12 -0.65 -0.27 0.00 -1.00 0.00 0.00 55.97 53.93 3fmd s LYS 658 Cb -0.14 -0.09 -0.09 0.00 -2.06 0.00 0.00 37.83 35.45 3fmd s LYS 658 CO 0.03 0.00 1.41 0.15 0.10 0.00 0.00 175.35 177.04 3fmd s LYS 659 N -1.45 3.96 -0.02 1.78 1.02 -1.26 -0.75 119.74 123.02 3fmd s LYS 659 Ca -0.12 2.40 0.02 0.00 0.02 0.00 0.00 55.97 58.29 3fmd s LYS 659 Cb -0.10 -2.83 0.00 0.00 -0.52 0.00 0.00 37.83 34.39 3fmd s LYS 659 CO -0.00 -0.59 -0.09 -0.08 -0.92 0.00 0.00 175.35 173.67 3fmd s THR 660 N -1.18 0.73 -1.83 2.17 -1.32 0.02 -4.72 115.64 109.52 3fmd s THR 660 Ca 0.56 -0.35 0.30 0.00 -1.21 0.00 0.00 61.69 60.99 3fmd s THR 660 Cb -0.43 -0.64 0.64 0.00 -1.51 0.00 0.00 72.50 70.56 3fmd s THR 660 CO 0.57 0.22 2.02 -1.20 -2.21 0.00 0.00 174.62 174.02 3fmd n SER 661 N 3.17 0.33 -4.71 8.08 7.64 -1.26 -4.41 113.62 122.45 3fmd n SER 661 Ca -0.17 -0.75 -0.42 0.00 1.01 0.00 0.00 58.87 58.55 3fmd n SER 661 Cb 0.55 -0.08 -0.03 0.00 -1.01 0.00 0.00 64.21 63.64 3fmd n SER 661 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3fmd s LEU 662 N -2.27 4.39 0.23 -3.43 1.43 -1.26 -4.95 118.68 112.82 3fmd s LEU 662 Ca 0.37 1.66 -0.03 0.00 -1.03 0.00 0.00 54.13 55.10 3fmd s LEU 662 Cb 0.21 -3.55 0.25 0.00 0.03 0.00 0.00 46.19 43.13 3fmd s LEU 662 CO 0.42 -0.22 1.67 0.11 0.23 0.00 0.00 176.35 178.56 3fmd h LYS 663 N 6.59 0.72 -5.07 1.70 1.79 -1.96 -3.42 116.57 116.91 3fmd h LYS 663 Ca -0.41 -0.27 -0.43 0.00 -2.18 0.00 0.00 60.65 57.36 3fmd h LYS 663 Cb 1.22 -0.04 -0.27 0.00 -1.58 0.00 0.00 32.23 31.56 3fmd h LYS 663 CO 0.74 0.86 -0.79 0.15 -1.08 0.00 0.00 179.45 179.33 3fmd s LYS 664 N -4.64 0.89 0.06 3.15 1.02 -1.26 -1.19 119.74 117.76 3fmd s LYS 664 Ca -0.09 -0.55 0.05 0.00 0.02 0.00 0.00 55.97 55.40 3fmd s LYS 664 Cb 0.13 -0.86 -0.04 0.00 -0.52 0.00 0.00 37.83 36.55 3fmd s LYS 664 CO 0.82 0.22 -0.05 -0.51 -0.92 0.00 0.00 175.35 174.91 3fmd s LEU 665 N -0.67 3.23 0.03 3.17 1.43 0.12 -4.89 118.68 121.10 3fmd s LEU 665 Ca 0.02 -0.22 0.06 0.00 -1.03 0.00 0.00 54.13 52.96 3fmd s LEU 665 Cb -0.06 -1.94 -0.03 0.00 0.03 0.00 0.00 46.19 44.19 3fmd s LEU 665 CO 0.00 0.22 -0.14 -1.00 0.23 0.00 0.00 176.35 175.66 3fmd s HIS 666 N -1.16 2.66 0.06 0.29 3.76 -1.26 -0.38 115.29 119.27 3fmd s HIS 666 Ca 0.21 -0.19 -0.06 0.00 -0.15 0.00 0.00 55.06 54.87 3fmd s HIS 666 Cb -0.11 -1.51 -0.02 0.00 1.11 0.00 0.00 32.58 32.05 3fmd s HIS 666 CO 0.13 0.29 0.10 1.52 -0.85 0.00 0.00 174.74 175.92 3fmd s TYR 667 N -0.95 0.28 -0.11 1.40 1.13 -0.94 -4.60 117.35 113.56 3fmd s TYR 667 Ca 0.15 -0.72 0.01 0.00 -1.41 0.00 0.00 57.07 55.10 3fmd s TYR 667 Cb -0.11 -0.19 0.02 0.00 -1.10 0.00 0.00 41.96 40.59 3fmd s TYR 667 CO 0.06 -0.45 -0.13 0.99 -2.51 0.00 0.00 175.55 173.50 3fmd s THR 668 N -3.62 1.37 -0.15 -3.49 2.01 -0.34 -1.18 115.64 110.23 3fmd s THR 668 Ca 0.04 -0.55 0.02 0.00 0.31 0.00 0.00 61.69 61.50 3fmd s THR 668 Cb 0.05 -1.27 0.01 0.00 0.01 0.00 0.00 72.50 71.30 3fmd s THR 668 CO -0.09 0.42 -0.20 -0.22 -0.69 0.00 0.00 174.62 173.83 3fmd s LEU 669 N 1.12 2.06 -1.25 4.42 2.96 -0.18 -1.70 118.68 126.11 3fmd s LEU 669 Ca -0.04 -0.60 -0.14 0.00 -0.22 0.00 0.00 54.13 53.13 3fmd s LEU 669 Cb -0.14 -1.41 0.02 0.00 0.50 0.00 0.00 46.19 45.15 3fmd s LEU 669 CO -0.03 0.04 0.26 0.59 -1.32 0.00 0.00 176.35 175.89 3fmd n ASN 670 N 4.29 -1.09 0.00 3.68 3.02 -0.92 -1.18 115.26 123.06 3fmd n ASN 670 Ca -0.20 -1.15 0.00 0.00 -0.03 0.00 0.00 54.58 53.20 3fmd n ASN 670 Cb 0.51 -1.41 0.00 0.00 -0.61 0.00 0.00 39.78 38.27 3fmd n ASN 670 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3fmd n GLY 671 N -2.23 2.34 3.50 7.41 0.00 0.54 -5.01 105.19 111.73 3fmd n GLY 671 Ca -0.21 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.44 3fmd n GLY 671 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3fmd s LYS 672 N -0.13 3.74 0.05 1.61 2.20 -0.33 -5.02 119.74 121.86 3fmd s LYS 672 Ca 0.00 -0.44 -0.14 0.00 -0.36 0.00 0.00 55.97 55.02 3fmd s LYS 672 Cb 0.00 -3.49 -0.06 0.00 -1.51 0.00 0.00 37.83 32.77 3fmd s LYS 672 CO 0.00 -0.21 0.46 -1.12 -0.36 0.00 0.00 175.35 174.12 3fmd s SER 673 N 1.67 6.82 0.19 1.43 0.01 -1.26 -1.01 113.70 121.55 3fmd s SER 673 Ca 0.06 1.00 -0.04 0.00 1.31 0.00 0.00 55.95 58.28 3fmd s SER 673 Cb -0.16 -2.26 -0.03 0.00 0.21 0.00 0.00 66.02 63.78 3fmd s SER 673 CO 0.07 0.25 0.20 -0.44 0.41 0.00 0.00 173.24 173.73 3fmd s SER 674 N -1.32 0.12 0.14 2.44 0.01 -0.33 -4.99 113.70 109.78 3fmd s SER 674 Ca 0.29 -1.20 0.09 0.00 1.31 0.00 0.00 55.95 56.44 3fmd s SER 674 Cb -0.16 0.41 -0.04 0.00 0.21 0.00 0.00 66.02 66.43 3fmd s SER 674 CO 0.16 -0.88 -0.20 0.42 0.41 0.00 0.00 173.24 173.15 3fmd s THR 675 N -4.08 1.86 -0.08 1.44 -4.23 -1.26 -2.22 115.64 107.07 3fmd s THR 675 Ca 0.30 -1.79 0.02 0.00 -1.18 0.00 0.00 61.69 59.04 3fmd s THR 675 Cb 0.05 -1.78 0.02 0.00 1.34 0.00 0.00 72.50 72.13 3fmd s THR 675 CO 0.08 -0.18 -0.12 -0.63 -0.54 0.00 0.00 174.62 173.23 3fmd s ILE 676 N -1.63 1.16 0.11 2.99 1.01 0.49 -4.93 121.20 120.40 3fmd s ILE 676 Ca 0.13 -0.47 -0.31 0.00 0.00 0.00 0.00 60.65 60.00 3fmd s ILE 676 Cb -0.08 -1.08 -0.09 0.00 0.01 0.00 0.00 42.46 41.22 3fmd s ILE 676 CO 0.06 0.37 1.59 -2.84 0.00 0.00 0.00 174.94 174.12 3fmd s PRO 677 N 0.86 4.22 0.29 2.79 0.02 -1.26 0.12 135.00 142.03 3fmd s PRO 677 Ca -0.11 2.32 0.14 0.00 0.02 0.00 0.00 61.00 63.38 3fmd s PRO 677 Cb -0.15 -3.37 0.31 0.00 0.02 0.00 0.00 34.50 31.31 3fmd s PRO 677 CO 0.01 -0.65 1.56 0.66 -0.33 0.00 0.00 177.00 178.25 3fmd h SER 678 N 7.51 0.00 -4.85 2.53 4.64 -1.40 -3.43 113.55 118.54 3fmd h SER 678 Ca -0.42 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 60.60 3fmd h SER 678 Cb 1.20 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.24 3fmd h SER 678 CO 0.92 0.56 -0.42 0.00 -0.87 0.00 0.00 176.83 177.02 3fmd n GLY 680 N -0.97 0.82 3.25 0.00 0.00 -1.26 -4.94 105.19 102.08 3fmd n GLY 680 Ca -0.06 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.71 3fmd n GLY 680 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fmd s LEU 681 N 0.00 2.18 -0.19 0.99 1.43 -0.82 -0.80 118.68 121.46 3fmd s LEU 681 Ca 0.00 -0.53 -0.00 0.00 -1.03 0.00 0.00 54.13 52.57 3fmd s LEU 681 Cb 0.00 -0.95 0.01 0.00 0.03 0.00 0.00 46.19 45.28 3fmd s LEU 681 CO 0.00 0.15 -0.16 -1.58 0.23 0.00 0.00 176.35 174.99 3fmd s GLN 682 N -1.23 3.05 -0.09 1.70 0.74 0.07 -4.72 119.66 119.18 3fmd s GLN 682 Ca 0.07 -0.80 -0.17 0.00 0.05 0.00 0.00 55.36 54.51 3fmd s GLN 682 Cb -0.09 -2.69 -0.05 0.00 1.10 0.00 0.00 33.01 31.28 3fmd s GLN 682 CO 0.02 -0.22 0.43 0.08 -0.55 0.00 0.00 175.29 175.05 3fmd s VAL 683 N 1.33 5.16 -0.11 1.34 1.01 -1.26 -2.17 120.40 125.69 3fmd s VAL 683 Ca 0.05 0.86 0.03 0.00 0.00 0.00 0.00 61.98 62.92 3fmd s VAL 683 Cb -0.14 -3.76 0.01 0.00 0.00 0.00 0.00 36.38 32.49 3fmd s VAL 683 CO -0.10 0.41 -0.21 -0.44 0.00 0.00 0.00 175.10 174.75 3fmd s SER 684 N 0.13 2.91 0.05 3.32 0.01 -0.18 -4.60 113.70 115.34 3fmd s SER 684 Ca 0.24 -0.54 -0.24 0.00 1.31 0.00 0.00 55.95 56.72 3fmd s SER 684 Cb -0.15 -1.33 -0.06 0.00 0.21 0.00 0.00 66.02 64.69 3fmd s SER 684 CO 0.10 0.11 0.75 -0.63 0.41 0.00 0.00 173.24 173.98 3fmd s ILE 685 N 0.58 4.72 0.30 1.44 1.01 -0.31 -0.75 121.20 128.20 3fmd s ILE 685 Ca -0.14 1.59 0.03 0.00 0.00 0.00 0.00 60.65 62.13 3fmd s ILE 685 Cb -0.17 -4.10 -0.04 0.00 0.01 0.00 0.00 42.46 38.17 3fmd s ILE 685 CO 0.04 0.38 0.14 0.27 0.00 0.00 0.00 174.94 175.77 3fmd s ILE 686 N -0.16 0.43 -0.15 2.92 -4.36 -0.95 -1.17 121.20 117.76 3fmd s ILE 686 Ca 0.37 -2.00 -0.02 0.00 -0.26 0.00 0.00 60.65 58.74 3fmd s ILE 686 Cb -0.20 -2.55 0.01 0.00 1.25 0.00 0.00 42.46 40.97 3fmd s ILE 686 CO 0.23 0.00 0.05 -0.67 0.24 0.00 0.00 174.94 174.78 3fmd n ASP 687 N -0.80 -3.86 -1.27 4.36 -0.08 -1.26 -4.82 116.55 108.82 3fmd n ASP 687 Ca 0.00 0.77 0.02 0.00 -1.51 0.00 0.00 54.79 54.08 3fmd n ASP 687 Cb 0.65 -3.37 0.26 0.00 2.34 0.00 0.00 41.12 41.01 3fmd n ASP 687 CO 0.00 0.00 0.00 -1.22 0.12 0.00 0.00 177.20 176.10 3fmd n TYR 688 N 0.57 1.41 0.03 -0.67 4.01 -1.26 -4.67 117.16 116.58 3fmd n TYR 688 Ca -0.08 -1.11 0.08 0.00 -0.16 0.00 0.00 57.90 56.63 3fmd n TYR 688 Cb 0.12 -0.46 0.51 0.00 -0.31 0.00 0.00 39.34 39.21 3fmd n TYR 688 CO 0.00 0.00 0.00 1.15 -0.46 0.00 0.00 176.86 177.55 3fmd h THR 689 N 1.93 1.00 -0.09 -0.72 2.02 -1.93 -2.25 112.91 112.87 3fmd h THR 689 Ca 0.12 -0.12 0.00 0.00 0.77 0.00 0.00 66.41 67.17 3fmd h THR 689 Cb 1.74 0.61 0.00 0.00 -1.74 0.00 0.00 68.15 68.76 3fmd h THR 689 CO 0.40 0.07 0.00 0.18 0.37 0.00 0.00 175.52 176.54 3fmd n LEU 690 N -4.48 2.47 -4.75 2.58 4.77 -1.26 -4.75 117.00 111.57 3fmd n LEU 690 Ca 0.04 -1.14 -0.30 0.00 -0.03 0.00 0.00 56.01 54.58 3fmd n LEU 690 Cb 0.19 -0.05 0.11 0.00 -2.33 0.00 0.00 43.42 41.34 3fmd n LEU 690 CO 0.35 0.47 0.69 -0.44 -1.33 0.00 0.00 177.39 177.13 3fmd s SER 691 N -1.28 4.09 0.01 -1.43 0.01 -0.85 -4.39 113.70 109.85 3fmd s SER 691 Ca 0.21 1.62 0.01 0.00 1.31 0.00 0.00 55.95 59.10 3fmd s SER 691 Cb 0.14 -2.32 -0.01 0.00 0.21 0.00 0.00 66.02 64.04 3fmd s SER 691 CO 0.20 -2.27 -0.05 -0.60 0.41 0.00 0.00 173.24 170.94 3fmd s ARG 692 N -4.95 0.36 0.33 12.44 3.00 -0.34 -3.49 118.95 126.31 3fmd s ARG 692 Ca 0.62 -0.29 -0.18 0.00 -1.00 0.00 0.00 55.73 54.88 3fmd s ARG 692 Cb -0.17 -0.28 0.04 0.00 0.00 0.00 0.00 34.95 34.54 3fmd s ARG 692 CO 0.56 0.07 0.76 -0.48 0.00 0.00 0.00 175.30 176.21 3fmd s LEU 693 N -0.46 -0.12 0.07 -0.88 0.05 -0.10 -0.78 118.68 116.45 3fmd s LEU 693 Ca -0.02 -0.89 -0.09 0.00 0.05 0.00 0.00 54.13 53.18 3fmd s LEU 693 Cb -0.04 2.79 0.00 0.00 -2.05 0.00 0.00 46.19 46.89 3fmd s LEU 693 CO -0.00 -1.53 0.19 -1.83 -0.55 0.00 0.00 176.35 172.63 3fmd s GLU 694 N -3.09 0.78 -0.03 1.48 -1.05 0.19 -0.72 118.70 116.26 3fmd s GLU 694 Ca 0.13 -0.82 -0.01 0.00 -0.15 0.00 0.00 54.97 54.12 3fmd s GLU 694 Cb -0.06 0.32 0.03 0.00 -0.44 0.00 0.00 34.13 33.98 3fmd s GLU 694 CO 0.09 -0.24 0.03 0.50 0.95 0.00 0.00 175.26 176.59 3fmd s ARG 695 N -3.33 0.10 -1.50 -4.83 3.52 -0.81 -4.57 118.95 107.53 3fmd s ARG 695 Ca 0.01 0.20 -0.10 0.00 -0.13 0.00 0.00 55.73 55.71 3fmd s ARG 695 Cb 0.02 -0.44 0.07 0.00 -1.56 0.00 0.00 34.95 33.04 3fmd s ARG 695 CO -0.08 -0.21 0.80 -0.25 -0.81 0.00 0.00 175.30 174.75 3fmd n ASP 696 N 4.55 -3.11 0.00 -2.12 8.00 -1.26 -1.23 116.55 121.38 3fmd n ASP 696 Ca -0.19 -0.87 0.00 0.00 0.71 0.00 0.00 54.79 54.44 3fmd n ASP 696 Cb 0.50 -3.58 0.00 0.00 -0.02 0.00 0.00 41.12 38.02 3fmd n ASP 696 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3fmd n GLY 697 N -1.66 1.97 3.59 0.44 0.00 -1.26 -5.00 105.19 103.27 3fmd n GLY 697 Ca -0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.53 3fmd n GLY 697 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3fmd s ILE 698 N -3.49 4.93 0.03 -0.61 -1.09 -0.36 -5.05 121.20 115.55 3fmd s ILE 698 Ca 0.00 0.77 -0.16 0.00 -2.23 0.00 0.00 60.65 59.03 3fmd s ILE 698 Cb 0.00 -4.01 -0.06 0.00 -1.58 0.00 0.00 42.46 36.81 3fmd s ILE 698 CO 0.00 -0.18 0.46 -0.69 -1.23 0.00 0.00 174.94 173.30 3fmd s VAL 699 N 2.62 4.94 -0.10 2.92 1.01 -1.26 -1.93 120.40 128.59 3fmd s VAL 699 Ca 0.25 0.95 0.01 0.00 0.00 0.00 0.00 61.98 63.19 3fmd s VAL 699 Cb -0.15 -3.77 0.02 0.00 0.00 0.00 0.00 36.38 32.48 3fmd s VAL 699 CO 0.13 0.56 -0.12 -0.69 0.00 0.00 0.00 175.10 174.97 3fmd s VAL 700 N -1.10 1.30 0.34 2.92 1.01 0.11 -4.99 120.40 119.98 3fmd s VAL 700 Ca 0.26 -0.51 -0.16 0.00 0.00 0.00 0.00 61.98 61.56 3fmd s VAL 700 Cb -0.18 -1.22 0.04 0.00 0.00 0.00 0.00 36.38 35.02 3fmd s VAL 700 CO 0.15 0.41 0.72 0.72 0.00 0.00 0.00 175.10 177.10 3fmd s PHE 701 N 1.15 0.09 -0.33 5.22 -0.71 -1.26 -0.92 117.98 121.22 3fmd s PHE 701 Ca -0.04 -0.64 -0.07 0.00 -1.04 0.00 0.00 56.93 55.13 3fmd s PHE 701 Cb -0.14 0.69 0.03 0.00 -1.21 0.00 0.00 43.02 42.38 3fmd s PHE 701 CO -0.03 -1.39 0.12 0.00 -1.34 0.00 0.00 175.22 172.58 3fmd s ASP 703 N 1.46 6.22 -0.15 0.00 2.15 -1.26 -4.83 116.67 120.26 3fmd s ASP 703 Ca 0.00 -0.33 0.16 0.00 0.43 0.00 0.00 52.55 52.81 3fmd s ASP 703 Cb -0.19 -2.56 0.65 0.00 -0.30 0.00 0.00 42.92 40.52 3fmd s ASP 703 CO 0.03 -1.76 1.56 1.33 -0.17 0.00 0.00 175.17 176.17 3fmd n VAL 704 N 6.44 2.12 0.25 1.11 0.24 -1.26 -4.62 118.33 122.61 3fmd n VAL 704 Ca 0.04 -1.44 0.08 0.00 -2.04 0.00 0.00 64.34 60.99 3fmd n VAL 704 Cb 0.49 -0.05 0.62 0.00 -1.47 0.00 0.00 33.84 33.43 3fmd n VAL 704 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 3fmd h SER 705 N 3.16 0.00 0.30 -1.34 4.64 -1.88 -0.81 113.55 117.62 3fmd h SER 705 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3fmd h SER 705 Cb 1.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.60 3fmd h SER 705 CO 0.27 0.10 -0.57 0.23 -0.87 0.00 0.00 176.83 175.99 3fmd n MET 706 N -4.26 0.25 -2.12 4.77 2.81 -1.26 -4.94 117.12 112.37 3fmd n MET 706 Ca -0.03 -0.17 -0.42 0.00 -1.81 0.00 0.00 57.70 55.27 3fmd n MET 706 Cb 0.17 -1.50 -0.03 0.00 -0.71 0.00 0.00 33.22 31.16 3fmd n MET 706 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 3fmd s ASP 707 N -2.87 6.77 -0.16 7.83 -1.08 -0.31 -4.91 116.67 121.94 3fmd s ASP 707 Ca 0.13 2.33 -0.14 0.00 -0.52 0.00 0.00 52.55 54.35 3fmd s ASP 707 Cb 0.18 -2.58 -0.11 0.00 -1.46 0.00 0.00 42.92 38.95 3fmd s ASP 707 CO 0.70 -0.72 0.06 1.05 0.52 0.00 0.00 175.17 176.78 3fmd h GLU 708 N 7.31 0.00 -0.98 4.34 -0.00 -1.92 -3.41 114.58 119.91 3fmd h GLU 708 Ca -0.41 0.00 0.21 0.00 -0.00 0.00 0.00 59.36 59.15 3fmd h GLU 708 Cb 1.20 0.00 -0.09 0.00 -0.00 0.00 0.00 28.75 29.85 3fmd h GLU 708 CO 0.89 0.46 0.62 -0.44 -0.00 0.00 0.00 179.01 180.54 3fmd h ASP 709 N -1.00 0.64 -0.36 3.06 3.32 -1.97 -2.58 116.42 117.53 3fmd h ASP 709 Ca -0.13 0.08 0.03 0.00 0.02 0.00 0.00 57.03 57.03 3fmd h ASP 709 Cb 0.80 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 40.29 3fmd h ASP 709 CO -0.08 0.22 0.24 0.25 -1.72 0.00 0.00 179.24 178.15 3fmd h LEU 710 N 0.62 0.31 -3.07 1.55 5.85 -1.97 -2.71 115.31 115.89 3fmd h LEU 710 Ca 0.55 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.27 3fmd h LEU 710 Cb 1.06 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.02 3fmd h LEU 710 CO -0.32 0.21 0.00 0.49 -0.34 0.00 0.00 178.44 178.49 3fmd n PHE 711 N -4.48 1.03 -1.91 1.25 3.72 -0.97 -4.37 117.46 111.73 3fmd n PHE 711 Ca 0.03 -0.63 0.04 0.00 -0.05 0.00 0.00 57.45 56.85 3fmd n PHE 711 Cb 0.16 -0.18 0.14 0.00 -0.94 0.00 0.00 39.48 38.67 3fmd n PHE 711 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 3fmd n THR 712 N 0.62 1.53 -2.03 4.37 -2.24 -1.02 -4.80 114.28 110.71 3fmd n THR 712 Ca 0.20 -2.59 -0.28 0.00 -2.27 0.00 0.00 64.05 59.11 3fmd n THR 712 Cb 0.74 0.13 0.07 0.00 -2.10 0.00 0.00 70.33 69.17 3fmd n THR 712 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3fmd s GLY 713 N -2.88 1.63 0.27 3.38 0.00 -1.26 -5.07 107.32 103.39 3fmd s GLY 713 Ca 0.37 -0.71 -0.18 0.00 0.00 0.00 0.00 44.72 44.21 3fmd s GLY 713 CO -0.10 -0.27 0.63 0.51 0.00 0.00 0.00 173.10 173.87 3fmd s ASP 714 N -4.51 -0.18 0.00 1.64 -4.77 -1.26 -4.78 116.67 102.80 3fmd s ASP 714 Ca 0.60 -0.75 0.00 0.00 -3.30 0.00 0.00 52.55 49.10 3fmd s ASP 714 Cb -0.11 0.68 0.00 0.00 -1.09 0.00 0.00 42.92 42.40 3fmd s ASP 714 CO 0.48 -1.27 0.00 0.61 0.70 0.00 0.00 175.17 175.68 3fmd n GLY 715 N -0.43 1.39 3.52 2.12 0.00 -1.26 -4.94 105.19 105.60 3fmd n GLY 715 Ca -0.03 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.84 3fmd n GLY 715 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3fmd s ASP 716 N -3.08 -0.63 0.54 1.61 -1.08 -1.26 -5.02 116.67 107.75 3fmd s ASP 716 Ca 0.00 1.00 0.31 0.00 -0.52 0.00 0.00 52.55 53.34 3fmd s ASP 716 Cb 0.00 0.96 1.47 0.00 -1.46 0.00 0.00 42.92 43.90 3fmd s ASP 716 CO 0.00 -0.38 1.90 0.22 0.52 0.00 0.00 175.17 177.42 3fmd h TYR 717 N 4.25 0.00 -0.88 -5.34 3.20 -1.99 -0.91 116.97 115.30 3fmd h TYR 717 Ca -0.28 0.00 0.23 0.00 3.14 0.00 0.00 58.73 61.82 3fmd h TYR 717 Cb 1.16 0.00 -0.15 0.00 1.54 0.00 0.00 36.73 39.28 3fmd h TYR 717 CO 0.40 0.00 0.15 0.37 -1.64 0.00 0.00 178.16 177.44 3fmd h GLN 718 N 0.00 0.13 0.00 1.82 4.15 -1.95 -1.38 115.11 117.88 3fmd h GLN 718 Ca 0.38 -0.01 -0.09 0.00 0.77 0.00 0.00 58.65 59.71 3fmd h GLN 718 Cb 1.59 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 29.24 3fmd h GLN 718 CO -0.00 0.09 -0.43 0.74 -1.93 0.00 0.00 178.83 177.29 3fmd h PHE 719 N 0.14 0.00 -0.53 3.99 0.04 -1.51 -1.59 116.94 117.48 3fmd h PHE 719 Ca 0.54 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 61.29 3fmd h PHE 719 Cb 1.09 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 39.22 3fmd h PHE 719 CO -0.34 0.43 0.22 -0.44 -0.60 0.00 0.00 178.31 177.58 3fmd h ASP 720 N 0.00 0.69 -0.88 2.17 3.32 -1.35 -3.24 116.42 117.12 3fmd h ASP 720 Ca -0.00 -0.08 0.01 0.00 0.02 0.00 0.00 57.03 56.98 3fmd h ASP 720 Cb 1.24 -0.18 -0.04 0.00 0.22 0.00 0.00 39.33 40.57 3fmd h ASP 720 CO 0.06 0.61 0.59 0.40 -1.72 0.00 0.00 179.24 179.18 3fmd h ILE 721 N 0.75 1.23 -0.60 0.35 1.08 -0.84 0.08 117.51 119.56 3fmd h ILE 721 Ca 0.18 -0.41 0.03 0.00 -0.39 0.00 0.00 64.86 64.27 3fmd h ILE 721 Cb 0.14 -0.08 -0.04 0.00 -3.07 0.00 0.00 36.82 33.77 3fmd h ILE 721 CO -0.02 0.22 0.36 1.88 -0.69 0.00 0.00 178.15 179.90 3fmd h TYR 722 N 1.20 0.67 -0.51 1.37 0.05 -1.59 0.28 116.97 118.43 3fmd h TYR 722 Ca 0.32 0.02 -0.05 0.00 0.05 0.00 0.00 58.73 59.07 3fmd h TYR 722 Cb -0.14 -0.21 -0.02 0.00 1.01 0.00 0.00 36.73 37.37 3fmd h TYR 722 CO -0.01 0.37 0.11 0.00 -1.05 0.00 0.00 178.16 177.58 3fmd h ARG 723 N 0.70 0.83 -0.47 4.88 3.08 -1.46 -2.36 114.38 119.58 3fmd h ARG 723 Ca 0.24 -0.21 -0.08 0.00 0.07 0.00 0.00 59.98 60.00 3fmd h ARG 723 Cb 0.05 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 29.97 3fmd h ARG 723 CO -0.11 0.81 -0.05 -0.07 -1.07 0.00 0.00 179.97 179.48 3fmd h LEU 724 N 0.72 0.78 -0.76 3.04 3.38 -0.68 -1.55 115.31 120.24 3fmd h LEU 724 Ca 0.16 -0.21 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 3fmd h LEU 724 Cb 0.36 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 3fmd h LEU 724 CO 0.01 0.88 0.33 0.24 0.09 0.00 0.00 178.44 179.99 3fmd h MET 725 N 0.74 1.12 -0.21 1.13 2.86 -0.80 -1.39 114.93 118.38 3fmd h MET 725 Ca 0.14 -0.18 -0.13 0.00 -2.06 0.00 0.00 59.70 57.46 3fmd h MET 725 Cb 0.52 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 31.98 3fmd h MET 725 CO 0.03 0.89 -0.44 -0.22 1.06 0.00 0.00 176.91 178.24 3fmd h LYS 726 N 1.09 0.51 -0.02 1.72 3.64 -1.07 -0.39 116.57 122.05 3fmd h LYS 726 Ca 0.26 -0.27 -0.00 0.00 -1.27 0.00 0.00 60.65 59.37 3fmd h LYS 726 Cb 0.17 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.00 3fmd h LYS 726 CO -0.03 0.85 0.01 -0.22 -2.27 0.00 0.00 179.45 177.79 3fmd h LYS 727 N 0.41 0.02 -0.81 1.90 3.64 -1.20 -0.52 116.57 120.02 3fmd h LYS 727 Ca 0.03 -0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.42 3fmd h LYS 727 Cb 0.93 -0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.70 3fmd h LYS 727 CO 0.08 0.18 0.54 1.49 -2.27 0.00 0.00 179.45 179.47 3fmd h GLU 728 N -0.14 1.05 -0.35 1.90 4.57 -0.89 -2.96 114.58 117.77 3fmd h GLU 728 Ca 0.01 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.12 3fmd h GLU 728 Cb 0.17 -0.24 0.00 0.00 -0.16 0.00 0.00 28.75 28.52 3fmd h GLU 728 CO -0.00 0.70 0.00 0.27 -1.18 0.00 0.00 179.01 178.80 3fmd n ASN 729 N -4.53 3.18 -3.56 1.04 0.23 -0.19 -4.93 115.26 106.51 3fmd n ASN 729 Ca 0.09 -1.95 -0.26 0.00 -0.53 0.00 0.00 54.58 51.92 3fmd n ASN 729 Cb 0.03 -0.22 -0.00 0.00 -2.08 0.00 0.00 39.78 37.51 3fmd n ASN 729 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 3fmd n ASN 730 N 1.32 -3.86 -1.59 0.53 3.02 -0.29 -0.92 115.26 113.47 3fmd n ASN 730 Ca 0.19 -0.53 -0.16 0.00 -0.03 0.00 0.00 54.58 54.04 3fmd n ASN 730 Cb 0.57 -3.17 -0.04 0.00 -0.61 0.00 0.00 39.78 36.53 3fmd n ASN 730 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3fmd n ASN 731 N -2.42 -4.90 -4.09 6.41 5.15 -0.66 -4.97 115.26 109.78 3fmd n ASN 731 Ca 0.01 0.17 -0.36 0.00 -0.60 0.00 0.00 54.58 53.80 3fmd n ASN 731 Cb 0.53 -3.93 -0.10 0.00 -0.53 0.00 0.00 39.78 35.75 3fmd n ASN 731 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 3fmd s ARG 732 N -4.17 2.53 0.00 1.20 0.52 -0.10 -4.73 118.95 114.20 3fmd s ARG 732 Ca 0.00 -2.51 0.27 0.00 -0.52 0.00 0.00 55.73 52.98 3fmd s ARG 732 Cb 0.00 -3.71 1.30 0.00 0.52 0.00 0.00 34.95 33.06 3fmd s ARG 732 CO 0.00 -1.17 1.92 0.91 0.02 0.00 0.00 175.30 176.98 3fmd n TRP 733 N 3.51 0.00 0.17 -0.53 7.02 -1.26 -2.30 117.44 124.06 3fmd n TRP 733 Ca 0.07 0.00 0.06 0.00 -1.02 0.00 0.00 57.50 56.62 3fmd n TRP 733 Cb 0.38 -0.37 0.09 0.00 -2.42 0.00 0.00 31.31 28.99 3fmd n TRP 733 CO 0.00 0.00 0.00 0.78 -2.02 0.00 0.00 177.69 176.45 3fmd h GLY 734 N 4.60 0.00 -0.97 6.99 0.00 -1.93 -3.46 103.07 108.31 3fmd h GLY 734 Ca 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 47.33 46.85 3fmd h GLY 734 CO 0.00 0.00 0.32 -0.54 0.00 0.00 0.00 176.54 176.32 3fmd s GLU 735 N -3.07 1.78 -0.31 4.80 2.02 -0.97 -5.02 118.70 117.93 3fmd s GLU 735 Ca 0.05 0.54 -0.07 0.00 0.02 0.00 0.00 54.97 55.51 3fmd s GLU 735 Cb 0.07 -1.89 0.01 0.00 0.10 0.00 0.00 34.13 32.42 3fmd s GLU 735 CO 0.71 -1.81 0.10 -0.47 0.02 0.00 0.00 175.26 173.81 3fmd s TYR 736 N -3.18 3.17 -0.48 1.61 5.04 -1.26 -5.02 117.35 117.23 3fmd s TYR 736 Ca 0.62 -1.04 0.03 0.00 -2.44 0.00 0.00 57.07 54.24 3fmd s TYR 736 Cb -0.15 -2.28 0.15 0.00 0.35 0.00 0.00 41.96 40.04 3fmd s TYR 736 CO 0.54 -0.60 0.33 -1.01 -1.34 0.00 0.00 175.55 173.46 3fmd s HIS 737 N 1.49 1.97 -1.83 4.97 3.76 -1.26 -4.97 115.29 119.42 3fmd s HIS 737 Ca 0.02 -2.54 0.10 0.00 -0.15 0.00 0.00 55.06 52.49 3fmd s HIS 737 Cb -0.18 -1.70 0.60 0.00 1.11 0.00 0.00 32.58 32.41 3fmd s HIS 737 CO 0.03 -0.75 1.11 -0.35 -0.85 0.00 0.00 174.74 173.94 3fmd n PRO 738 N 3.00 0.28 0.28 8.40 -0.04 -1.26 -1.52 135.00 144.14 3fmd n PRO 738 Ca 0.18 0.06 0.13 0.00 -0.04 0.00 0.00 63.50 63.82 3fmd n PRO 738 Cb 0.39 -1.50 0.82 0.00 -0.04 0.00 0.00 33.50 33.17 3fmd n PRO 738 CO 0.00 0.00 0.00 -0.92 -0.04 0.00 0.00 175.50 174.54 3fmd h TYR 739 N 0.00 0.00 -0.67 0.54 3.20 -1.91 -2.20 116.97 115.93 3fmd h TYR 739 Ca 0.00 0.00 0.09 0.00 3.14 0.00 0.00 58.73 61.96 3fmd h TYR 739 Cb 0.03 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 38.26 3fmd h TYR 739 CO 0.00 0.02 0.44 0.66 -1.64 0.00 0.00 178.16 177.65 3fmd h SER 740 N 0.00 0.51 -0.52 -2.11 4.64 -1.61 -0.90 113.55 113.55 3fmd h SER 740 Ca -0.00 0.01 -0.11 0.00 -0.47 0.00 0.00 61.79 61.22 3fmd h SER 740 Cb 0.05 -0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 62.03 3fmd h SER 740 CO 0.00 0.32 -0.08 0.78 -0.87 0.00 0.00 176.83 176.97 3fmd h ASN 741 N 0.57 0.98 -0.72 4.97 2.35 -1.63 -1.87 115.58 120.24 3fmd h ASN 741 Ca 0.30 -0.34 0.04 0.00 -0.55 0.00 0.00 56.30 55.74 3fmd h ASN 741 Cb 0.43 -0.27 -0.05 0.00 0.05 0.00 0.00 38.32 38.49 3fmd h ASN 741 CO -0.10 1.10 0.45 0.58 -1.65 0.00 0.00 177.43 177.81 3fmd h VAL 742 N 0.85 1.08 -0.49 2.81 2.07 -1.30 -0.49 116.25 120.79 3fmd h VAL 742 Ca 0.14 -0.30 0.02 0.00 0.82 0.00 0.00 66.70 67.38 3fmd h VAL 742 Cb 0.64 0.14 -0.03 0.00 -1.52 0.00 0.00 31.29 30.52 3fmd h VAL 742 CO 0.04 0.16 0.30 -0.07 0.02 0.00 0.00 177.57 178.02 3fmd h LEU 743 N 0.87 0.49 -0.62 2.57 3.38 -0.83 0.66 115.31 121.82 3fmd h LEU 743 Ca 0.29 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.13 3fmd h LEU 743 Cb 0.04 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 3fmd h LEU 743 CO -0.12 0.35 -0.35 -0.50 0.09 0.00 0.00 178.44 177.90 3fmd h TRP 744 N 0.60 0.81 -0.10 1.13 4.06 -0.98 -0.72 115.95 120.75 3fmd h TRP 744 Ca 0.19 -0.22 -0.10 0.00 2.06 0.00 0.00 58.89 60.81 3fmd h TRP 744 Cb 0.00 -0.18 -0.01 0.00 -1.00 0.00 0.00 29.16 27.97 3fmd h TRP 744 CO -0.06 0.95 -0.41 -0.07 -3.56 0.00 0.00 178.44 175.29 3fmd h LEU 745 N 0.58 0.22 -0.20 -4.49 3.38 -0.78 -0.91 115.31 113.11 3fmd h LEU 745 Ca 0.06 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 3fmd h LEU 745 Cb 0.87 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 3fmd h LEU 745 CO 0.08 0.62 0.04 -0.74 0.09 0.00 0.00 178.44 178.52 3fmd h HIS 746 N 0.18 0.35 -0.92 1.13 2.76 -0.44 0.56 115.15 118.77 3fmd h HIS 746 Ca 0.02 -0.05 0.11 0.00 -2.20 0.00 0.00 60.37 58.25 3fmd h HIS 746 Cb 0.81 -0.10 -0.08 0.00 1.55 0.00 0.00 27.41 29.59 3fmd h HIS 746 CO 0.01 0.46 0.55 -0.92 -1.30 0.00 0.00 177.93 176.74 3fmd h TYR 747 N 0.13 1.00 -0.16 5.26 3.20 -0.78 0.31 116.97 125.92 3fmd h TYR 747 Ca 0.06 0.03 -0.22 0.00 3.14 0.00 0.00 58.73 61.74 3fmd h TYR 747 Cb 0.30 -0.31 0.01 0.00 1.54 0.00 0.00 36.73 38.27 3fmd h TYR 747 CO 0.02 0.39 -0.76 -0.07 -1.64 0.00 0.00 178.16 176.09 3fmd h LEU 748 N 0.88 0.95 -0.75 2.82 3.38 -1.00 -1.21 115.31 120.38 3fmd h LEU 748 Ca 0.46 -0.62 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 3fmd h LEU 748 Cb 0.46 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.89 3fmd h LEU 748 CO -0.27 1.42 0.45 0.74 0.09 0.00 0.00 178.44 180.87 3fmd h THR 749 N 0.54 1.22 -0.82 0.22 2.02 -0.61 -0.36 112.91 115.12 3fmd h THR 749 Ca -0.05 -0.49 0.06 0.00 0.77 0.00 0.00 66.41 66.71 3fmd h THR 749 Cb 1.39 0.18 -0.06 0.00 -1.74 0.00 0.00 68.15 67.92 3fmd h THR 749 CO 0.16 0.23 0.50 -0.78 0.37 0.00 0.00 175.52 176.00 3fmd h ASP 750 N 1.03 0.78 -0.51 4.18 3.58 -0.74 -2.20 116.42 122.53 3fmd h ASP 750 Ca 0.27 0.02 -0.08 0.00 0.42 0.00 0.00 57.03 57.66 3fmd h ASP 750 Cb -0.03 -0.14 -0.02 0.00 1.72 0.00 0.00 39.33 40.87 3fmd h ASP 750 CO -0.05 0.49 0.02 0.11 -2.88 0.00 0.00 179.24 176.93 3fmd h LYS 751 N 0.91 0.89 -0.88 0.28 1.79 -0.40 -0.14 116.57 119.02 3fmd h LYS 751 Ca 0.36 -0.27 0.07 0.00 -2.18 0.00 0.00 60.65 58.63 3fmd h LYS 751 Cb 0.19 -0.08 -0.06 0.00 -1.58 0.00 0.00 32.23 30.70 3fmd h LYS 751 CO -0.18 0.91 0.57 0.52 -1.08 0.00 0.00 179.45 180.19 3fmd h MET 752 N 0.75 0.96 0.00 3.15 2.86 -0.72 0.80 114.93 122.74 3fmd h MET 752 Ca 0.15 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.73 3fmd h MET 752 Cb 0.50 -0.22 0.00 0.00 0.06 0.00 0.00 31.60 31.94 3fmd h MET 752 CO 0.02 0.63 -1.02 1.28 1.06 0.00 0.00 176.91 178.89 3fmd n LEU 753 N -4.49 0.73 -0.01 1.22 4.77 -0.86 -4.20 117.00 114.16 3fmd n LEU 753 Ca 0.13 0.24 -0.00 0.00 -0.03 0.00 0.00 56.01 56.35 3fmd n LEU 753 Cb 0.21 -0.08 -0.03 0.00 -2.33 0.00 0.00 43.42 41.19 3fmd n LEU 753 CO 0.33 -0.12 -0.58 0.29 -1.33 0.00 0.00 177.39 175.98 3fmd n LYS 754 N -2.45 1.88 -0.08 3.23 5.02 -0.09 -4.84 118.16 120.83 3fmd n LYS 754 Ca 0.00 -0.02 0.03 0.00 -2.02 0.00 0.00 58.31 56.31 3fmd n LYS 754 Cb 0.52 -1.08 0.04 0.00 -0.02 0.00 0.00 35.03 34.48 3fmd n LYS 754 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 3fmd n GLN 755 N -1.88 1.60 -4.08 1.97 1.13 0.26 -5.01 117.38 111.37 3fmd n GLN 755 Ca -0.03 -1.56 -0.34 0.00 -1.94 0.00 0.00 57.00 53.12 3fmd n GLN 755 Cb 0.36 -0.99 -0.10 0.00 0.11 0.00 0.00 30.24 29.62 3fmd n GLN 755 CO 0.00 0.00 0.00 -1.64 -1.44 0.00 0.00 177.06 173.98 3fmd s MET 756 N -1.23 3.89 -0.47 -1.09 -1.94 -1.18 -4.84 119.30 112.44 3fmd s MET 756 Ca 0.09 -0.37 -0.14 0.00 -1.71 0.00 0.00 55.69 53.56 3fmd s MET 756 Cb 0.08 -3.15 0.08 0.00 2.01 0.00 0.00 34.83 33.85 3fmd s MET 756 CO 0.01 0.29 0.38 0.99 -0.01 0.00 0.00 175.02 176.68 3fmd s THR 757 N 0.30 4.99 0.34 2.05 2.01 -0.55 -4.99 115.64 119.79 3fmd s THR 757 Ca 0.02 -1.23 -0.26 0.00 0.31 0.00 0.00 61.69 60.54 3fmd s THR 757 Cb -0.13 -4.04 -0.09 0.00 0.01 0.00 0.00 72.50 68.25 3fmd s THR 757 CO 0.01 -0.62 1.00 -0.36 -0.69 0.00 0.00 174.62 173.96 3fmd s PHE 758 N 1.58 3.53 0.10 4.92 0.08 -1.26 -3.85 117.98 123.08 3fmd s PHE 758 Ca 0.04 1.73 0.25 0.00 0.12 0.00 0.00 56.93 59.06 3fmd s PHE 758 Cb -0.25 -3.05 0.95 0.00 -0.57 0.00 0.00 43.02 40.10 3fmd s PHE 758 CO 0.05 -0.19 1.83 0.87 -0.10 0.00 0.00 175.22 177.68 3fmd h LYS 759 N 3.04 0.00 -6.19 0.44 1.57 -0.83 -3.44 116.57 111.15 3fmd h LYS 759 Ca -0.47 0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 57.72 3fmd h LYS 759 Cb 1.20 0.00 -0.12 0.00 0.08 0.00 0.00 32.23 33.39 3fmd h LYS 759 CO 0.64 0.19 -0.71 0.95 -0.57 0.00 0.00 179.45 179.95 3fmd s THR 760 N -3.62 2.79 0.18 -0.16 -4.23 -0.29 -5.06 115.64 105.25 3fmd s THR 760 Ca 0.01 -2.23 -0.11 0.00 -1.18 0.00 0.00 61.69 58.19 3fmd s THR 760 Cb 0.10 -2.51 -0.07 0.00 1.34 0.00 0.00 72.50 71.36 3fmd s THR 760 CO 0.63 -0.38 0.52 -0.54 -0.54 0.00 0.00 174.62 174.30 3fmd s LYS 761 N -3.57 3.83 -1.30 3.99 -0.14 -1.26 -4.81 119.74 116.48 3fmd s LYS 761 Ca 0.31 0.29 -0.16 0.00 -1.36 0.00 0.00 55.97 55.05 3fmd s LYS 761 Cb -0.05 -2.79 0.09 0.00 -1.68 0.00 0.00 37.83 33.40 3fmd s LYS 761 CO 0.17 0.41 1.74 0.00 -0.76 0.00 0.00 175.35 176.90 3fmd n ASN 763 N 7.49 1.65 -4.25 0.00 0.23 -1.26 -4.77 115.26 114.35 3fmd n ASN 763 Ca 0.47 -2.18 -0.20 0.00 -0.53 0.00 0.00 54.58 52.13 3fmd n ASN 763 Cb 0.44 -0.15 -0.12 0.00 -2.08 0.00 0.00 39.78 37.88 3fmd n ASN 763 CO 0.00 0.00 0.00 0.42 -0.93 0.00 0.00 177.26 176.75 3fmd s THR 764 N -1.33 1.45 0.24 5.53 -4.23 -1.26 -5.03 115.64 111.00 3fmd s THR 764 Ca 0.09 -1.57 -0.06 0.00 -1.18 0.00 0.00 61.69 58.98 3fmd s THR 764 Cb 0.08 -1.44 0.20 0.00 1.34 0.00 0.00 72.50 72.68 3fmd s THR 764 CO 0.01 -0.23 1.84 -0.65 -0.54 0.00 0.00 174.62 175.05 3fmd h PRO 765 N 3.89 0.89 -0.79 3.99 0.11 -1.98 0.17 132.00 138.28 3fmd h PRO 765 Ca -0.42 -0.05 0.01 0.00 0.11 0.00 0.00 66.00 65.64 3fmd h PRO 765 Cb 1.19 -0.20 -0.04 0.00 0.11 0.00 0.00 31.00 32.06 3fmd h PRO 765 CO 0.44 0.59 0.53 0.00 -0.21 0.00 0.00 178.00 179.35 3fmd h ALA 766 N 1.40 1.01 -0.08 -0.75 0.00 -1.99 -0.62 119.26 118.22 3fmd h ALA 766 Ca 0.36 -0.05 -0.17 0.00 0.00 0.00 0.00 54.91 55.05 3fmd h ALA 766 Cb 0.18 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3fmd h ALA 766 CO -0.18 0.41 -0.67 1.98 0.00 0.00 0.00 179.25 180.80 3fmd h MET 767 N 1.07 0.34 -0.62 0.00 -1.53 -1.69 -2.37 114.93 110.13 3fmd h MET 767 Ca 0.29 -0.26 -0.06 0.00 -3.44 0.00 0.00 59.70 56.24 3fmd h MET 767 Cb -0.12 0.05 -0.03 0.00 -0.55 0.00 0.00 31.60 30.95 3fmd h MET 767 CO -0.07 0.89 0.15 0.87 0.14 0.00 0.00 176.91 178.90 3fmd h LYS 768 N 0.24 0.96 -0.52 0.39 1.57 -0.40 -2.16 116.57 116.65 3fmd h LYS 768 Ca -0.02 -0.21 -0.07 0.00 -1.87 0.00 0.00 60.65 58.48 3fmd h LYS 768 Cb 1.21 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 33.37 3fmd h LYS 768 CO 0.11 0.85 0.04 0.37 -0.57 0.00 0.00 179.45 180.25 3fmd h GLN 769 N 0.92 0.88 -0.85 3.15 5.75 -0.98 -2.03 115.11 121.96 3fmd h GLN 769 Ca 0.20 -0.26 -0.01 0.00 -0.15 0.00 0.00 58.65 58.43 3fmd h GLN 769 Cb 0.32 -0.09 -0.04 0.00 1.07 0.00 0.00 27.48 28.74 3fmd h GLN 769 CO -0.00 0.89 0.50 0.82 -2.65 0.00 0.00 178.83 178.39 3fmd h ILE 770 N 0.76 1.24 -0.43 2.39 2.04 -1.19 -0.72 117.51 121.60 3fmd h ILE 770 Ca 0.15 -0.53 0.00 0.00 1.00 0.00 0.00 64.86 65.48 3fmd h ILE 770 Cb 0.47 0.05 -0.02 0.00 -0.74 0.00 0.00 36.82 36.57 3fmd h ILE 770 CO 0.02 0.25 0.28 0.50 0.00 0.00 0.00 178.15 179.20 3fmd h LYS 771 N 1.17 0.56 -0.67 2.37 3.64 -1.07 -1.37 116.57 121.21 3fmd h LYS 771 Ca 0.30 -0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 59.58 3fmd h LYS 771 Cb -0.03 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 31.63 3fmd h LYS 771 CO -0.06 0.37 0.15 0.00 -2.27 0.00 0.00 179.45 177.65 3fmd h ARG 772 N 0.58 1.08 -0.94 1.90 3.08 -0.88 -1.10 114.38 118.10 3fmd h ARG 772 Ca 0.16 -0.27 0.03 0.00 0.07 0.00 0.00 59.98 59.97 3fmd h ARG 772 Cb -0.06 -0.14 -0.05 0.00 0.08 0.00 0.00 29.97 29.80 3fmd h ARG 772 CO -0.03 0.97 0.62 0.87 -1.07 0.00 0.00 179.97 181.33 3fmd h LYS 773 N 1.01 1.18 -0.03 0.04 1.79 -0.81 0.21 116.57 119.95 3fmd h LYS 773 Ca 0.21 -0.07 -0.20 0.00 -2.18 0.00 0.00 60.65 58.41 3fmd h LYS 773 Cb 0.38 -0.27 -0.01 0.00 -1.58 0.00 0.00 32.23 30.76 3fmd h LYS 773 CO 0.00 0.78 -0.82 0.82 -1.08 0.00 0.00 179.45 179.15 3fmd h ILE 774 N 1.21 1.42 -0.47 1.86 2.04 -0.97 -0.97 117.51 121.64 3fmd h ILE 774 Ca 0.37 -2.37 -0.08 0.00 1.00 0.00 0.00 64.86 63.78 3fmd h ILE 774 Cb -0.04 2.30 -0.02 0.00 -0.74 0.00 0.00 36.82 38.33 3fmd h ILE 774 CO -0.10 0.70 -0.01 1.56 0.00 0.00 0.00 178.15 180.30 3fmd h GLN 775 N 0.20 0.83 -0.62 2.37 4.20 -0.78 -1.39 115.11 119.92 3fmd h GLN 775 Ca -0.05 -0.27 0.07 0.00 0.06 0.00 0.00 58.65 58.47 3fmd h GLN 775 Cb 1.43 -0.07 -0.06 0.00 0.30 0.00 0.00 27.48 29.07 3fmd h GLN 775 CO 0.14 0.88 0.31 0.93 -0.67 0.00 0.00 178.83 180.41 3fmd h GLU 776 N 0.68 0.54 -0.16 1.46 5.08 -0.51 -1.75 114.58 119.92 3fmd h GLU 776 Ca 0.13 -0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.51 3fmd h GLU 776 Cb 0.51 -0.12 -0.05 0.00 0.50 0.00 0.00 28.75 29.59 3fmd h GLU 776 CO 0.03 0.36 -0.16 0.35 -1.00 0.00 0.00 179.01 178.58 3fmd h PHE 777 N 0.56 -0.40 -0.86 4.33 3.57 -0.90 -2.01 116.94 121.23 3fmd h PHE 777 Ca 0.29 0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.91 3fmd h PHE 777 Cb 0.26 0.20 -0.07 0.00 2.79 0.00 0.00 35.95 39.13 3fmd h PHE 777 CO -0.11 -0.23 0.51 1.25 -2.23 0.00 0.00 178.31 177.50 3fmd h HIS 778 N -0.18 0.93 0.00 0.41 2.76 -0.90 -0.06 115.15 118.10 3fmd h HIS 778 Ca 0.10 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.30 3fmd h HIS 778 Cb 0.34 -0.29 0.00 0.00 1.55 0.00 0.00 27.41 29.01 3fmd h HIS 778 CO -0.29 0.40 0.00 0.54 -1.30 0.00 0.00 177.93 177.29 3fmd n ARG 779 N -4.69 0.14 0.00 5.26 1.74 -0.69 -4.32 116.66 114.10 3fmd n ARG 779 Ca 0.14 0.20 0.00 0.00 -0.77 0.00 0.00 57.85 57.42 3fmd n ARG 779 Cb 0.26 -1.69 0.00 0.00 -1.02 0.00 0.00 32.46 30.01 3fmd n ARG 779 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3fmd n THR 780 N -1.95 0.00 0.26 0.55 -2.24 -0.79 -4.86 114.28 105.25 3fmd n THR 780 Ca 0.05 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.94 3fmd n THR 780 Cb 0.33 0.04 0.71 0.00 -2.10 0.00 0.00 70.33 69.31 3fmd n THR 780 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3fmd h MET 781 N 0.00 0.00 0.00 -0.78 -0.00 -1.21 -1.12 114.93 111.82 3fmd h MET 781 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 3fmd h MET 781 Cb 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.76 3fmd h MET 781 CO 0.00 0.08 0.00 1.28 -0.00 0.00 0.00 176.91 178.27 3fmd n LEU 782 N -4.04 0.00 -1.43 -0.10 4.77 -1.26 -2.01 117.00 112.93 3fmd n LEU 782 Ca -0.03 0.46 0.05 0.00 -0.03 0.00 0.00 56.01 56.46 3fmd n LEU 782 Cb 0.17 -0.46 0.27 0.00 -2.33 0.00 0.00 43.42 41.08 3fmd n LEU 782 CO 0.32 -0.21 0.68 0.59 -1.33 0.00 0.00 177.39 177.43 3fmd n ASN 783 N -1.46 4.16 -4.60 -1.43 3.02 -0.43 -4.90 115.26 109.63 3fmd n ASN 783 Ca 0.05 -2.60 -0.24 0.00 -0.03 0.00 0.00 54.58 51.76 3fmd n ASN 783 Cb 0.17 -0.61 -0.08 0.00 -0.61 0.00 0.00 39.78 38.65 3fmd n ASN 783 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 3fmd s PHE 784 N -2.16 2.56 -1.52 3.10 0.08 -0.85 -5.08 117.98 114.10 3fmd s PHE 784 Ca 0.37 -0.30 0.22 0.00 0.12 0.00 0.00 56.93 57.34 3fmd s PHE 784 Cb 0.28 -1.20 -0.11 0.00 -0.57 0.00 0.00 43.02 41.41 3fmd s PHE 784 CO 0.11 0.62 0.99 -1.13 -0.10 0.00 0.00 175.22 175.71 3fmd n SER 785 N -0.84 1.53 -3.61 1.36 3.41 -1.26 -4.95 113.62 109.25 3fmd n SER 785 Ca -0.06 -1.26 -0.02 0.00 -0.26 0.00 0.00 58.87 57.28 3fmd n SER 785 Cb 0.60 0.73 -0.01 0.00 -0.26 0.00 0.00 64.21 65.27 3fmd n SER 785 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3fmd s SER 786 N -2.70 -0.11 0.25 4.04 1.04 -1.26 -3.08 113.70 111.88 3fmd s SER 786 Ca 0.13 -0.09 -0.02 0.00 0.48 0.00 0.00 55.95 56.46 3fmd s SER 786 Cb 0.17 0.18 0.30 0.00 0.10 0.00 0.00 66.02 66.77 3fmd s SER 786 CO 0.71 -0.31 1.71 0.00 0.98 0.00 0.00 173.24 176.33 3fmd h ALA 787 N 2.00 1.03 -0.56 5.32 0.00 -1.91 -2.43 119.26 122.71 3fmd h ALA 787 Ca -0.21 -0.31 0.03 0.00 0.00 0.00 0.00 54.91 54.43 3fmd h ALA 787 Cb 1.19 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.77 3fmd h ALA 787 CO 0.26 0.59 0.32 1.15 0.00 0.00 0.00 179.25 181.57 3fmd h THR 788 N 0.67 1.03 -0.37 0.00 2.02 -1.85 -0.50 112.91 113.89 3fmd h THR 788 Ca 0.11 -0.22 -0.02 0.00 0.77 0.00 0.00 66.41 67.06 3fmd h THR 788 Cb 0.57 0.34 -0.02 0.00 -1.74 0.00 0.00 68.15 67.30 3fmd h THR 788 CO 0.04 0.12 0.14 -0.78 0.37 0.00 0.00 175.52 175.41 3fmd h ASP 789 N 0.63 0.52 -0.39 4.18 3.58 -1.87 -1.68 116.42 121.39 3fmd h ASP 789 Ca 0.23 -0.17 -0.01 0.00 0.42 0.00 0.00 57.03 57.51 3fmd h ASP 789 Cb 0.07 -0.13 -0.02 0.00 1.72 0.00 0.00 39.33 40.97 3fmd h ASP 789 CO -0.12 0.55 0.22 -0.07 -2.88 0.00 0.00 179.24 176.94 3fmd h LEU 790 N 0.46 0.49 -0.63 2.28 3.38 -1.17 0.10 115.31 120.22 3fmd h LEU 790 Ca 0.12 -0.08 -0.11 0.00 0.09 0.00 0.00 57.88 57.90 3fmd h LEU 790 Cb 0.20 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 3fmd h LEU 790 CO -0.01 0.43 -0.14 0.25 0.09 0.00 0.00 178.44 179.06 3fmd h LEU 791 N 0.51 0.94 0.00 1.67 5.85 -0.96 0.51 115.31 123.82 3fmd h LEU 791 Ca 0.14 -0.32 -0.19 0.00 0.84 0.00 0.00 57.88 58.35 3fmd h LEU 791 Cb 0.05 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.79 3fmd h LEU 791 CO -0.02 1.07 -0.93 0.00 -0.34 0.00 0.00 178.44 178.22 3fmd n GLN 793 N -3.32 2.57 -2.18 0.00 1.13 0.35 -5.04 117.38 110.89 3fmd n GLN 793 Ca -0.00 -0.01 -0.41 0.00 -1.94 0.00 0.00 57.00 54.63 3fmd n GLN 793 Cb 0.91 -1.15 -0.03 0.00 0.11 0.00 0.00 30.24 30.08 3fmd n GLN 793 CO 0.00 0.00 0.00 -1.58 -1.44 0.00 0.00 177.06 174.04 3fmd s HIS 794 N -2.19 3.21 0.54 1.08 2.46 0.18 -4.90 115.29 115.67 3fmd s HIS 794 Ca -0.03 1.21 0.23 0.00 0.47 0.00 0.00 55.06 56.94 3fmd s HIS 794 Cb 0.02 -3.64 1.43 0.00 -0.13 0.00 0.00 32.58 30.27 3fmd s HIS 794 CO 0.24 -1.99 2.08 0.66 -2.47 0.00 0.00 174.74 173.26 3fmd h SER 795 N 5.14 0.00 -0.83 9.88 4.64 -1.96 -2.70 113.55 127.71 3fmd h SER 795 Ca -0.45 0.00 0.15 0.00 -0.47 0.00 0.00 61.79 61.02 3fmd h SER 795 Cb 1.22 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.24 3fmd h SER 795 CO 0.76 0.00 0.54 0.25 -0.87 0.00 0.00 176.83 177.52 3fmd h LEU 796 N 0.00 0.51 -2.22 5.97 5.85 -1.90 -2.64 115.31 120.89 3fmd h LEU 796 Ca 0.12 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.88 3fmd h LEU 796 Cb 0.53 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.49 3fmd h LEU 796 CO -0.00 0.26 0.00 0.49 -0.34 0.00 0.00 178.44 178.85 3fmd n PHE 797 N -4.52 0.80 1.11 1.25 3.72 -1.02 -5.10 117.46 113.70 3fmd n PHE 797 Ca 0.16 -0.40 0.12 0.00 -0.05 0.00 0.00 57.45 57.29 3fmd n PHE 797 Cb 0.52 0.00 0.19 0.00 -0.94 0.00 0.00 39.48 39.25 3fmd n PHE 797 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34