#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fw0 n HIS 493 N 0.00 0.00 -1.70 -1.40 -0.00 -1.26 -5.09 115.22 105.77 3fw0 n HIS 493 Ca 0.00 0.00 -0.44 0.00 -0.00 0.00 0.00 57.72 57.28 3fw0 n HIS 493 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 29.96 3fw0 n HIS 493 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 3fw0 n HIS 494 N 0.00 2.48 -3.06 -1.40 -0.00 -1.26 -4.87 115.22 107.10 3fw0 n HIS 494 Ca 0.00 0.23 -0.43 0.00 -0.00 0.00 0.00 57.72 57.52 3fw0 n HIS 494 Cb 0.00 -2.57 0.01 0.00 -0.00 0.00 0.00 29.99 27.42 3fw0 n HIS 494 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 3fw0 n HIS 495 N 3.07 2.77 -2.82 4.41 -0.00 -1.26 -4.90 115.22 116.49 3fw0 n HIS 495 Ca 0.14 -2.82 -0.21 0.00 -0.00 0.00 0.00 57.72 54.84 3fw0 n HIS 495 Cb 0.32 -1.33 0.02 0.00 -0.00 0.00 0.00 29.99 29.01 3fw0 n HIS 495 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 3fw0 s HIS 496 N -2.55 2.95 0.53 4.41 2.46 -1.26 -5.09 115.29 116.74 3fw0 s HIS 496 Ca 0.31 -0.03 -0.19 0.00 0.47 0.00 0.00 55.06 55.62 3fw0 s HIS 496 Cb 0.02 -2.55 -0.06 0.00 -0.13 0.00 0.00 32.58 29.86 3fw0 s HIS 496 CO 0.07 -0.64 1.09 -1.01 -2.47 0.00 0.00 174.74 171.79 3fw0 s HIS 497 N -2.62 2.81 -2.30 3.88 4.02 -1.26 -4.93 115.29 114.88 3fw0 s HIS 497 Ca 0.54 1.55 0.29 0.00 1.02 0.00 0.00 55.06 58.46 3fw0 s HIS 497 Cb -0.10 -3.18 1.22 0.00 -1.02 0.00 0.00 32.58 29.50 3fw0 s HIS 497 CO 0.37 -1.29 1.84 -0.25 1.02 0.00 0.00 174.74 176.44 3fw0 n ASP 498 N -1.32 1.10 -4.71 1.40 8.00 -1.26 -4.83 116.55 114.93 3fw0 n ASP 498 Ca 0.10 -1.31 -0.40 0.00 0.71 0.00 0.00 54.79 53.90 3fw0 n ASP 498 Cb 0.52 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.57 3fw0 n ASP 498 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3fw0 s PHE 499 N -2.06 3.56 0.00 1.24 0.40 -1.26 -1.69 117.98 118.18 3fw0 s PHE 499 Ca 0.39 1.22 0.03 0.00 -0.60 0.00 0.00 56.93 57.97 3fw0 s PHE 499 Cb 0.21 -2.80 -0.01 0.00 0.51 0.00 0.00 43.02 40.93 3fw0 s PHE 499 CO 0.36 0.08 -0.09 -1.01 0.70 0.00 0.00 175.22 175.26 3fw0 s HIS 500 N 0.85 0.76 -0.19 0.36 3.76 0.11 -4.62 115.29 116.32 3fw0 s HIS 500 Ca 0.37 -0.20 -0.03 0.00 -0.15 0.00 0.00 55.06 55.05 3fw0 s HIS 500 Cb -0.17 -0.48 -0.01 0.00 1.11 0.00 0.00 32.58 33.02 3fw0 s HIS 500 CO 0.17 -0.01 -0.05 0.08 -0.85 0.00 0.00 174.74 174.08 3fw0 s VAL 501 N -0.39 3.48 0.06 -0.90 1.01 -1.26 -1.03 120.40 121.35 3fw0 s VAL 501 Ca 0.01 -0.48 0.08 0.00 0.00 0.00 0.00 61.98 61.59 3fw0 s VAL 501 Cb -0.04 -2.55 -0.03 0.00 0.00 0.00 0.00 36.38 33.76 3fw0 s VAL 501 CO -0.00 0.45 -0.21 -1.61 0.00 0.00 0.00 175.10 173.73 3fw0 s GLU 502 N 1.01 1.35 0.22 2.72 2.02 -0.83 -4.76 118.70 120.44 3fw0 s GLU 502 Ca 0.00 -1.00 -0.31 0.00 0.02 0.00 0.00 54.97 53.69 3fw0 s GLU 502 Cb -0.15 -1.50 -0.10 0.00 0.10 0.00 0.00 34.13 32.48 3fw0 s GLU 502 CO 0.00 0.38 1.52 -2.00 0.02 0.00 0.00 175.26 175.18 3fw0 s GLU 503 N -1.33 4.22 -0.60 1.61 2.12 -1.26 -0.58 118.70 122.88 3fw0 s GLU 503 Ca 0.07 2.37 -0.26 0.00 0.36 0.00 0.00 54.97 57.51 3fw0 s GLU 503 Cb -0.09 -3.12 0.04 0.00 0.26 0.00 0.00 34.13 31.22 3fw0 s GLU 503 CO 0.02 -0.54 1.11 -2.00 -0.54 0.00 0.00 175.26 173.32 3fw0 s GLU 504 N 0.29 3.39 0.42 4.30 2.12 -0.04 -4.85 118.70 124.32 3fw0 s GLU 504 Ca 0.65 -0.05 0.23 0.00 0.36 0.00 0.00 54.97 56.16 3fw0 s GLU 504 Cb -0.44 -4.06 0.78 0.00 0.26 0.00 0.00 34.13 30.67 3fw0 s GLU 504 CO 0.38 -1.69 1.77 -0.07 -0.54 0.00 0.00 175.26 175.11 3fw0 h LEU 505 N 11.73 0.00 -0.66 2.70 3.38 -1.92 -2.98 115.31 127.56 3fw0 h LEU 505 Ca -0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.71 3fw0 h LEU 505 Cb 1.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.81 3fw0 h LEU 505 CO 1.17 0.26 0.00 -0.90 0.09 0.00 0.00 178.44 179.05 3fw0 n ASP 506 N -3.36 0.98 -4.59 -0.43 5.68 -1.26 -4.74 116.55 108.84 3fw0 n ASP 506 Ca 0.00 -1.65 -0.42 0.00 -0.50 0.00 0.00 54.79 52.22 3fw0 n ASP 506 Cb 0.48 -0.07 -0.06 0.00 -1.14 0.00 0.00 41.12 40.33 3fw0 n ASP 506 CO 0.00 0.00 0.00 0.86 -1.33 0.00 0.00 177.20 176.73 3fw0 s TRP 507 N -1.86 3.15 -2.03 2.11 -0.00 -1.13 -4.94 118.94 114.25 3fw0 s TRP 507 Ca 0.28 0.55 0.21 0.00 -0.00 0.00 0.00 56.10 57.14 3fw0 s TRP 507 Cb 0.14 -3.24 1.19 0.00 -0.00 0.00 0.00 33.47 31.56 3fw0 s TRP 507 CO 0.22 -0.64 1.77 -2.30 -0.00 0.00 0.00 176.95 176.00 3fw0 n PRO 508 N 6.21 1.08 0.29 5.86 -0.02 -1.26 -4.09 135.00 143.07 3fw0 n PRO 508 Ca 0.01 -0.12 0.17 0.00 -2.02 0.00 0.00 63.50 61.54 3fw0 n PRO 508 Cb 0.48 -1.33 0.86 0.00 -0.02 0.00 0.00 33.50 33.49 3fw0 n PRO 508 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 3fw0 h GLY 509 N 5.31 0.00 2.00 -1.23 0.00 -1.86 -1.86 103.07 105.43 3fw0 h GLY 509 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 3fw0 h GLY 509 CO 0.00 0.00 -0.00 -2.08 0.00 0.00 0.00 176.54 174.46 3fw0 h VAL 510 N 0.00 0.00 -0.00 4.60 2.07 -1.71 -2.18 116.25 119.03 3fw0 h VAL 510 Ca -0.00 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.51 3fw0 h VAL 510 Cb 0.27 1.01 0.00 0.00 -1.52 0.00 0.00 31.29 31.05 3fw0 h VAL 510 CO 0.01 0.00 -0.23 -1.22 0.02 0.00 0.00 177.57 176.15 3fw0 n TYR 511 N -3.08 0.00 -2.07 1.57 4.02 -0.70 -4.83 117.16 112.07 3fw0 n TYR 511 Ca -0.03 0.00 -0.40 0.00 -0.01 0.00 0.00 57.90 57.46 3fw0 n TYR 511 Cb 0.07 -0.18 -0.01 0.00 -0.02 0.00 0.00 39.34 39.20 3fw0 n TYR 511 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 176.86 174.68 3fw0 s LEU 512 N -2.60 4.30 -0.74 7.72 2.96 -0.82 -4.99 118.68 124.51 3fw0 s LEU 512 Ca 0.23 2.68 0.04 0.00 -0.22 0.00 0.00 54.13 56.86 3fw0 s LEU 512 Cb 0.19 -3.80 0.26 0.00 0.50 0.00 0.00 46.19 43.33 3fw0 s LEU 512 CO 0.53 -0.73 0.87 0.18 -1.32 0.00 0.00 176.35 175.89 3fw0 n LEU 513 N 0.39 4.24 0.00 -0.68 4.77 -1.26 -4.83 117.00 119.63 3fw0 n LEU 513 Ca 0.02 -5.38 -0.10 0.00 -0.03 0.00 0.00 56.01 50.52 3fw0 n LEU 513 Cb 0.43 -0.80 0.06 0.00 -2.33 0.00 0.00 43.42 40.78 3fw0 n LEU 513 CO 0.57 1.96 0.27 -0.81 -1.33 0.00 0.00 177.39 178.05 3fw0 n PRO 514 N 1.05 -0.13 0.00 3.23 -0.04 -1.26 -5.10 135.00 132.74 3fw0 n PRO 514 Ca 0.28 -0.83 0.00 0.00 -0.04 0.00 0.00 63.50 62.91 3fw0 n PRO 514 Cb 0.39 -0.39 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 3fw0 n PRO 514 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3fw0 n GLY 515 N 2.04 -0.61 3.67 0.55 0.00 -1.25 -4.88 105.19 104.71 3fw0 n GLY 515 Ca 0.06 -1.54 -0.42 0.00 0.00 0.00 0.00 46.02 44.12 3fw0 n GLY 515 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3fw0 s GLN 516 N 0.00 4.18 -0.63 1.61 -0.21 -1.26 -4.58 119.66 118.76 3fw0 s GLN 516 Ca 0.00 2.34 -0.26 0.00 0.02 0.00 0.00 55.36 57.46 3fw0 s GLN 516 Cb 0.00 -3.91 0.04 0.00 1.00 0.00 0.00 33.01 30.14 3fw0 s GLN 516 CO 0.00 -0.84 1.13 0.08 -2.12 0.00 0.00 175.29 173.54 3fw0 s VAL 517 N 3.71 4.06 -0.13 1.09 1.01 -1.03 -1.14 120.40 127.97 3fw0 s VAL 517 Ca 0.77 0.43 0.19 0.00 0.00 0.00 0.00 61.98 63.37 3fw0 s VAL 517 Cb -0.38 -4.74 -0.21 0.00 0.00 0.00 0.00 36.38 31.06 3fw0 s VAL 517 CO 0.33 -1.46 0.55 -1.54 0.00 0.00 0.00 175.10 172.98 3fw0 n SER 518 N 8.40 0.41 -3.84 3.32 3.41 -0.20 -3.42 113.62 121.71 3fw0 n SER 518 Ca 0.04 0.18 -0.12 0.00 -0.26 0.00 0.00 58.87 58.71 3fw0 n SER 518 Cb 0.48 0.87 -0.11 0.00 -0.26 0.00 0.00 64.21 65.19 3fw0 n SER 518 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3fw0 s GLY 519 N -4.88 -0.04 0.08 5.00 0.00 -0.89 -4.52 107.32 102.07 3fw0 s GLY 519 Ca -0.06 0.14 0.04 0.00 0.00 0.00 0.00 44.72 44.84 3fw0 s GLY 519 CO 0.84 0.02 -0.11 -1.34 0.00 0.00 0.00 173.10 172.52 3fw0 s VAL 520 N -0.84 0.90 0.25 1.40 -7.23 -1.26 -0.85 120.40 112.77 3fw0 s VAL 520 Ca -0.09 -1.46 -0.19 0.00 -1.81 0.00 0.00 61.98 58.43 3fw0 s VAL 520 Cb -0.05 -1.15 0.02 0.00 0.56 0.00 0.00 36.38 35.76 3fw0 s VAL 520 CO 0.01 -0.45 0.63 0.00 -0.31 0.00 0.00 175.10 174.98 3fw0 s ALA 521 N -1.98 -0.99 -0.06 1.32 0.00 0.18 -4.76 121.76 115.47 3fw0 s ALA 521 Ca 0.01 -0.37 0.05 0.00 0.00 0.00 0.00 51.96 51.65 3fw0 s ALA 521 Cb -0.06 0.90 -0.01 0.00 0.00 0.00 0.00 23.12 23.95 3fw0 s ALA 521 CO 0.01 -0.95 -0.23 -0.51 0.00 0.00 0.00 175.76 174.08 3fw0 s LEU 522 N -2.92 2.17 0.00 0.00 1.43 -1.26 -0.58 118.68 117.51 3fw0 s LEU 522 Ca 0.13 -0.48 -0.05 0.00 -1.03 0.00 0.00 54.13 52.69 3fw0 s LEU 522 Cb -0.04 -1.41 0.14 0.00 0.03 0.00 0.00 46.19 44.92 3fw0 s LEU 522 CO 0.05 0.24 0.92 -0.90 0.23 0.00 0.00 176.35 176.89 3fw0 n ASP 523 N 2.97 0.70 0.27 2.29 5.68 -0.75 -4.79 116.55 122.92 3fw0 n ASP 523 Ca -0.18 -1.71 0.16 0.00 -0.50 0.00 0.00 54.79 52.56 3fw0 n ASP 523 Cb 0.52 -0.64 0.72 0.00 -1.14 0.00 0.00 41.12 40.57 3fw0 n ASP 523 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 3fw0 h SER 524 N -0.85 0.00 -0.58 -1.12 4.64 -1.93 -0.93 113.55 112.78 3fw0 h SER 524 Ca -0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.02 3fw0 h SER 524 Cb 0.98 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.07 3fw0 h SER 524 CO 0.27 0.07 0.00 0.29 -0.87 0.00 0.00 176.83 176.59 3fw0 n LYS 525 N -3.25 3.31 -1.35 4.77 4.76 -1.26 -4.94 118.16 120.19 3fw0 n LYS 525 Ca -0.00 -2.50 -0.12 0.00 -2.87 0.00 0.00 58.31 52.81 3fw0 n LYS 525 Cb 0.29 -1.79 -0.05 0.00 -1.84 0.00 0.00 35.03 31.64 3fw0 n LYS 525 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 3fw0 n ASN 526 N 1.03 -4.83 -4.77 4.39 2.85 -0.35 -5.01 115.26 108.57 3fw0 n ASN 526 Ca 0.23 0.30 -0.36 0.00 -0.11 0.00 0.00 54.58 54.64 3fw0 n ASN 526 Cb 0.77 -3.41 0.01 0.00 1.24 0.00 0.00 39.78 38.39 3fw0 n ASN 526 CO 0.00 0.00 0.00 0.20 -2.11 0.00 0.00 177.26 175.35 3fw0 s ASN 527 N -2.70 5.67 0.07 1.20 0.02 -1.26 -4.68 114.94 113.27 3fw0 s ASN 527 Ca 0.00 2.32 -0.29 0.00 -1.02 0.00 0.00 52.86 53.87 3fw0 s ASN 527 Cb 0.00 -2.60 -0.05 0.00 0.02 0.00 0.00 41.25 38.62 3fw0 s ASN 527 CO 0.00 -1.26 0.91 -0.22 0.02 0.00 0.00 177.10 176.55 3fw0 s LEU 528 N -3.62 4.46 -0.15 0.60 2.96 -0.48 -1.81 118.68 120.64 3fw0 s LEU 528 Ca 0.71 1.67 0.02 0.00 -0.22 0.00 0.00 54.13 56.31 3fw0 s LEU 528 Cb -0.28 -3.48 0.01 0.00 0.50 0.00 0.00 46.19 42.93 3fw0 s LEU 528 CO 0.32 -0.08 -0.20 -0.69 -1.32 0.00 0.00 176.35 174.39 3fw0 s VAL 529 N 0.16 2.23 0.15 1.68 1.01 0.25 0.21 120.40 126.08 3fw0 s VAL 529 Ca 0.45 -0.92 0.09 0.00 0.00 0.00 0.00 61.98 61.60 3fw0 s VAL 529 Cb -0.22 -1.91 -0.04 0.00 0.00 0.00 0.00 36.38 34.21 3fw0 s VAL 529 CO 0.28 0.54 -0.14 0.27 0.00 0.00 0.00 175.10 176.05 3fw0 s ILE 530 N 0.84 3.03 -0.15 2.22 -4.36 -0.27 -0.65 121.20 121.86 3fw0 s ILE 530 Ca -0.06 -1.57 0.01 0.00 -0.26 0.00 0.00 60.65 58.77 3fw0 s ILE 530 Cb -0.15 -2.44 0.02 0.00 1.25 0.00 0.00 42.46 41.14 3fw0 s ILE 530 CO -0.02 0.00 -0.15 0.12 0.24 0.00 0.00 174.94 175.13 3fw0 s PHE 531 N -1.42 2.21 0.13 1.37 5.36 -0.03 -1.90 117.98 123.70 3fw0 s PHE 531 Ca 0.21 -1.23 0.01 0.00 -0.96 0.00 0.00 56.93 54.97 3fw0 s PHE 531 Cb -0.10 -1.61 -0.04 0.00 -0.34 0.00 0.00 43.02 40.93 3fw0 s PHE 531 CO 0.13 -0.66 -0.01 -3.38 -1.46 0.00 0.00 175.22 169.84 3fw0 s HIS 532 N 1.40 1.00 -2.26 10.12 -3.43 -0.53 -1.03 115.29 120.56 3fw0 s HIS 532 Ca 0.03 -1.04 0.21 0.00 -0.80 0.00 0.00 55.06 53.47 3fw0 s HIS 532 Cb -0.13 -0.58 0.53 0.00 -1.43 0.00 0.00 32.58 30.97 3fw0 s HIS 532 CO -0.10 -0.27 1.45 0.54 -2.00 0.00 0.00 174.74 174.36 3fw0 n ARG 533 N -0.13 2.37 0.00 -0.38 1.74 -0.30 -4.75 116.66 115.22 3fw0 n ARG 533 Ca -0.08 -2.10 0.00 0.00 -0.77 0.00 0.00 57.85 54.90 3fw0 n ARG 533 Cb 0.62 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.58 3fw0 n ARG 533 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3fw0 n GLY 534 N 1.45 3.81 0.64 -0.13 0.00 -1.26 -0.71 105.19 108.99 3fw0 n GLY 534 Ca 0.20 0.10 0.10 0.00 0.00 0.00 0.00 46.02 46.42 3fw0 n GLY 534 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3fw0 n ASP 535 N 6.57 1.91 -4.83 1.61 3.85 -1.26 -3.77 116.55 120.63 3fw0 n ASP 535 Ca 0.00 -1.77 -0.38 0.00 -0.71 0.00 0.00 54.79 51.93 3fw0 n ASP 535 Cb 0.00 -0.14 -0.06 0.00 -1.35 0.00 0.00 41.12 39.57 3fw0 n ASP 535 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.20 175.19 3fw0 s HIS 536 N -1.73 3.66 -0.02 2.11 3.76 0.12 -5.09 115.29 118.10 3fw0 s HIS 536 Ca 0.32 0.84 0.05 0.00 -0.15 0.00 0.00 55.06 56.13 3fw0 s HIS 536 Cb 0.17 -2.23 -0.01 0.00 1.11 0.00 0.00 32.58 31.62 3fw0 s HIS 536 CO 0.26 0.60 -0.18 0.08 -0.85 0.00 0.00 174.74 174.64 3fw0 s VAL 537 N -0.81 1.47 -0.44 -0.90 1.01 -1.26 -4.59 120.40 114.87 3fw0 s VAL 537 Ca 0.21 -0.78 -0.29 0.00 0.00 0.00 0.00 61.98 61.12 3fw0 s VAL 537 Cb -0.15 -1.23 0.02 0.00 0.00 0.00 0.00 36.38 35.02 3fw0 s VAL 537 CO 0.10 0.42 1.33 0.86 0.00 0.00 0.00 175.10 177.80 3fw0 s TRP 538 N -0.32 2.53 0.01 5.22 -0.11 -1.26 -4.89 118.94 120.12 3fw0 s TRP 538 Ca 0.04 0.68 0.00 0.00 1.22 0.00 0.00 56.10 58.05 3fw0 s TRP 538 Cb -0.08 -4.36 -0.00 0.00 -1.50 0.00 0.00 33.47 27.53 3fw0 s TRP 538 CO 0.00 -1.76 0.01 -0.40 -4.62 0.00 0.00 176.95 170.18 3fw0 n ASP 539 N 8.54 0.33 0.33 5.86 5.68 -1.26 -5.03 116.55 131.00 3fw0 n ASP 539 Ca 0.15 -1.07 0.22 0.00 -0.50 0.00 0.00 54.79 53.59 3fw0 n ASP 539 Cb 0.48 0.04 1.16 0.00 -1.14 0.00 0.00 41.12 41.67 3fw0 n ASP 539 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 3fw0 h GLY 540 N 0.06 0.00 -0.09 6.12 0.00 -1.96 -2.45 103.07 104.76 3fw0 h GLY 540 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.32 3fw0 h GLY 540 CO 0.01 0.00 -0.95 0.70 0.00 0.00 0.00 176.54 176.31 3fw0 n ASN 541 N -3.15 1.08 -0.13 0.19 4.13 -1.26 -4.58 115.26 111.54 3fw0 n ASN 541 Ca -0.03 -1.04 -0.09 0.00 1.68 0.00 0.00 54.58 55.10 3fw0 n ASN 541 Cb 0.09 0.96 -0.01 0.00 -1.54 0.00 0.00 39.78 39.28 3fw0 n ASN 541 CO 0.00 0.00 0.00 0.28 0.28 0.00 0.00 177.26 177.82 3fw0 h SER 542 N 0.21 0.54 -2.40 6.41 0.02 -1.78 -3.41 113.55 113.13 3fw0 h SER 542 Ca 0.00 -0.16 -0.57 0.00 -0.84 0.00 0.00 61.79 60.22 3fw0 h SER 542 Cb 0.52 -0.14 -0.14 0.00 0.14 0.00 0.00 62.40 62.78 3fw0 h SER 542 CO 0.00 0.55 -0.74 -0.36 -1.14 0.00 0.00 176.83 175.14 3fw0 s PHE 543 N -5.58 2.17 0.46 3.45 0.08 -1.26 0.12 117.98 117.42 3fw0 s PHE 543 Ca -0.13 -0.42 0.05 0.00 0.12 0.00 0.00 56.93 56.55 3fw0 s PHE 543 Cb 0.10 -1.01 0.05 0.00 -0.57 0.00 0.00 43.02 41.59 3fw0 s PHE 543 CO 0.75 0.61 0.41 -0.40 -0.10 0.00 0.00 175.22 176.48 3fw0 n ASP 544 N -0.60 2.30 -0.37 1.36 5.75 -1.15 -4.93 116.55 118.93 3fw0 n ASP 544 Ca -0.06 -2.50 0.29 0.00 -0.01 0.00 0.00 54.79 52.51 3fw0 n ASP 544 Cb 0.61 -0.10 0.55 0.00 -1.03 0.00 0.00 41.12 41.15 3fw0 n ASP 544 CO 0.00 0.00 0.00 -1.28 -0.11 0.00 0.00 177.20 175.81 3fw0 h SER 545 N 0.44 0.40 -0.62 -1.12 0.87 -2.01 -0.54 113.55 110.96 3fw0 h SER 545 Ca -0.27 0.17 0.00 0.00 -1.23 0.00 0.00 61.79 60.46 3fw0 h SER 545 Cb 1.04 0.14 0.00 0.00 -0.44 0.00 0.00 62.40 63.14 3fw0 h SER 545 CO 0.42 -0.17 0.00 0.29 -0.53 0.00 0.00 176.83 176.85 3fw0 n LYS 546 N -4.92 2.90 -1.65 2.24 5.02 -1.26 -4.94 118.16 115.56 3fw0 n LYS 546 Ca 0.34 -2.43 -0.12 0.00 -2.02 0.00 0.00 58.31 54.08 3fw0 n LYS 546 Cb 1.15 -1.64 -0.03 0.00 -0.02 0.00 0.00 35.03 34.49 3fw0 n LYS 546 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 3fw0 n PHE 547 N 1.24 -0.19 -3.50 2.13 3.01 -0.21 -4.93 117.46 115.00 3fw0 n PHE 547 Ca 0.22 0.00 -0.37 0.00 1.01 0.00 0.00 57.45 58.31 3fw0 n PHE 547 Cb 0.66 -2.32 -0.07 0.00 -0.01 0.00 0.00 39.48 37.73 3fw0 n PHE 547 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 3fw0 s VAL 548 N -2.48 5.28 0.35 -4.37 0.11 -1.26 -4.78 120.40 113.24 3fw0 s VAL 548 Ca 0.00 0.56 -0.29 0.00 -2.93 0.00 0.00 61.98 59.32 3fw0 s VAL 548 Cb 0.00 -3.65 -0.12 0.00 -1.53 0.00 0.00 36.38 31.09 3fw0 s VAL 548 CO 0.00 0.34 1.46 0.00 -3.33 0.00 0.00 175.10 173.57 3fw0 n TYR 549 N 3.96 2.75 0.37 1.54 -0.00 -1.26 -2.93 117.16 121.59 3fw0 n TYR 549 Ca -0.11 0.43 0.04 0.00 -0.00 0.00 0.00 57.90 58.27 3fw0 n TYR 549 Cb 0.52 -2.51 0.02 0.00 -0.00 0.00 0.00 39.34 37.36 3fw0 n TYR 549 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.86 177.90 3fw0 n GLN 550 N 0.88 1.09 -1.82 2.98 1.13 0.12 -4.60 117.38 117.16 3fw0 n GLN 550 Ca 0.04 -0.82 -0.23 0.00 -1.94 0.00 0.00 57.00 54.05 3fw0 n GLN 550 Cb 0.37 -1.11 0.04 0.00 0.11 0.00 0.00 30.24 29.66 3fw0 n GLN 550 CO 0.00 0.00 0.00 0.94 -1.44 0.00 0.00 177.06 176.56 3fw0 n GLN 551 N 0.16 3.34 -0.11 -1.09 -0.06 -1.26 -4.77 117.38 113.59 3fw0 n GLN 551 Ca 0.04 -3.98 -0.11 0.00 -2.00 0.00 0.00 57.00 50.95 3fw0 n GLN 551 Cb 0.20 -2.23 0.02 0.00 -4.06 0.00 0.00 30.24 24.17 3fw0 n GLN 551 CO 0.00 0.00 0.00 -0.09 -0.20 0.00 0.00 177.06 176.77 3fw0 h ARG 552 N 2.06 0.87 0.00 3.69 2.43 -1.94 -2.85 114.38 118.64 3fw0 h ARG 552 Ca 0.38 -0.42 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 3fw0 h ARG 552 Cb 1.42 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.97 3fw0 h ARG 552 CO 0.82 1.07 0.00 0.41 -1.51 0.00 0.00 179.97 180.75 3fw0 n GLY 553 N 0.01 -0.73 0.12 2.80 0.00 -1.26 -1.28 105.19 104.84 3fw0 n GLY 553 Ca -0.01 0.08 0.13 0.00 0.00 0.00 0.00 46.02 46.21 3fw0 n GLY 553 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3fw0 h LEU 554 N 0.00 0.00 -0.04 0.99 -0.00 -1.89 -3.50 115.31 110.87 3fw0 h LEU 554 Ca 0.00 -0.04 0.03 0.00 -0.00 0.00 0.00 57.88 57.87 3fw0 h LEU 554 Cb 0.05 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.70 3fw0 h LEU 554 CO 0.00 0.02 -0.08 0.61 -0.00 0.00 0.00 178.44 178.99 3fw0 n GLY 555 N 1.27 -2.02 3.60 0.83 0.00 -0.40 -4.95 105.19 103.51 3fw0 n GLY 555 Ca 0.05 -1.46 -0.29 0.00 0.00 0.00 0.00 46.02 44.31 3fw0 n GLY 555 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3fw0 s PRO 556 N -2.14 0.06 0.06 1.61 0.04 -1.26 -4.94 135.00 128.43 3fw0 s PRO 556 Ca 0.00 0.88 -0.31 0.00 0.04 0.00 0.00 61.00 61.62 3fw0 s PRO 556 Cb 0.00 -1.67 -0.08 0.00 0.04 0.00 0.00 34.50 32.79 3fw0 s PRO 556 CO 0.00 -3.08 1.71 0.42 0.04 0.00 0.00 177.00 176.09 3fw0 s ILE 557 N -2.68 3.04 -2.63 0.56 1.01 0.46 -4.86 121.20 116.10 3fw0 s ILE 557 Ca 0.67 0.41 0.27 0.00 0.00 0.00 0.00 60.65 61.99 3fw0 s ILE 557 Cb -0.22 -3.26 0.44 0.00 0.01 0.00 0.00 42.46 39.43 3fw0 s ILE 557 CO 0.61 -0.01 1.59 -0.62 0.00 0.00 0.00 174.94 176.51 3fw0 n GLU 558 N 6.00 1.87 -4.25 2.79 1.02 -1.26 -0.87 120.64 125.94 3fw0 n GLU 558 Ca 0.17 -1.26 -0.23 0.00 -0.02 0.00 0.00 57.16 55.81 3fw0 n GLU 558 Cb 0.41 -1.47 -0.07 0.00 -0.02 0.00 0.00 31.44 30.28 3fw0 n GLU 558 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 3fw0 s GLU 559 N -1.99 2.28 0.15 3.49 -1.05 -1.26 -4.61 118.70 115.71 3fw0 s GLU 559 Ca 0.35 -1.50 -0.33 0.00 -0.15 0.00 0.00 54.97 53.34 3fw0 s GLU 559 Cb 0.21 -2.13 -0.13 0.00 -0.44 0.00 0.00 34.13 31.64 3fw0 s GLU 559 CO 0.32 0.27 1.69 -0.25 0.95 0.00 0.00 175.26 178.23 3fw0 n ASP 560 N -0.97 3.56 -0.00 0.83 8.00 -1.26 -4.27 116.55 122.44 3fw0 n ASP 560 Ca -0.05 1.05 0.05 0.00 0.71 0.00 0.00 54.79 56.55 3fw0 n ASP 560 Cb 0.60 -1.49 -0.08 0.00 -0.02 0.00 0.00 41.12 40.13 3fw0 n ASP 560 CO 0.00 0.00 0.00 1.07 -0.39 0.00 0.00 177.20 177.88 3fw0 n THR 561 N 3.92 0.00 -4.31 -3.53 5.66 0.78 -4.85 114.28 111.95 3fw0 n THR 561 Ca 0.17 -0.25 -0.33 0.00 -3.05 0.00 0.00 64.05 60.60 3fw0 n THR 561 Cb 0.32 0.45 -0.16 0.00 -1.55 0.00 0.00 70.33 69.39 3fw0 n THR 561 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 175.07 171.39 3fw0 s ILE 562 N -2.55 2.04 -0.07 1.09 1.01 0.58 -1.45 121.20 121.86 3fw0 s ILE 562 Ca -0.02 -0.94 0.04 0.00 0.00 0.00 0.00 60.65 59.73 3fw0 s ILE 562 Cb 0.07 -1.83 0.00 0.00 0.01 0.00 0.00 42.46 40.71 3fw0 s ILE 562 CO 0.44 0.54 -0.19 -0.76 0.00 0.00 0.00 174.94 174.97 3fw0 s LEU 563 N 1.13 1.92 -0.19 2.97 1.43 -0.80 -0.40 118.68 124.74 3fw0 s LEU 563 Ca 0.01 -0.43 -0.09 0.00 -1.03 0.00 0.00 54.13 52.60 3fw0 s LEU 563 Cb -0.14 -1.13 -0.04 0.00 0.03 0.00 0.00 46.19 44.91 3fw0 s LEU 563 CO -0.09 0.13 0.10 0.54 0.23 0.00 0.00 176.35 177.26 3fw0 s VAL 564 N 0.30 5.11 -0.04 -1.59 0.11 -0.46 -1.12 120.40 122.71 3fw0 s VAL 564 Ca -0.12 0.08 0.06 0.00 -2.93 0.00 0.00 61.98 59.06 3fw0 s VAL 564 Cb -0.15 -3.31 -0.01 0.00 -1.53 0.00 0.00 36.38 31.38 3fw0 s VAL 564 CO 0.05 0.46 -0.21 -0.63 -3.33 0.00 0.00 175.10 171.44 3fw0 s ILE 565 N 0.27 1.72 0.25 7.04 1.01 0.13 0.27 121.20 131.90 3fw0 s ILE 565 Ca 0.06 -0.90 -0.30 0.00 0.00 0.00 0.00 60.65 59.51 3fw0 s ILE 565 Cb -0.12 -1.45 -0.10 0.00 0.01 0.00 0.00 42.46 40.80 3fw0 s ILE 565 CO -0.01 0.49 1.36 -0.62 0.00 0.00 0.00 174.94 176.16 3fw0 s ASP 566 N -0.24 6.77 0.35 3.58 2.15 -0.40 -1.38 116.67 127.50 3fw0 s ASP 566 Ca 0.01 2.57 0.27 0.00 0.43 0.00 0.00 52.55 55.83 3fw0 s ASP 566 Cb -0.11 -2.62 0.95 0.00 -0.30 0.00 0.00 42.92 40.84 3fw0 s ASP 566 CO 0.01 -0.60 1.79 1.55 -0.17 0.00 0.00 175.17 177.75 3fw0 h PRO 567 N 4.85 0.00 0.00 4.34 0.13 -1.92 -2.11 132.00 137.29 3fw0 h PRO 567 Ca -0.46 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.60 3fw0 h PRO 567 Cb 1.22 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 3fw0 h PRO 567 CO 0.75 0.00 -1.20 0.09 -0.23 0.00 0.00 178.00 177.41 3fw0 n ASN 568 N -2.60 1.94 -0.80 1.44 5.03 -1.26 -4.75 115.26 114.25 3fw0 n ASN 568 Ca 0.03 0.34 0.09 0.00 0.87 0.00 0.00 54.58 55.91 3fw0 n ASN 568 Cb 0.34 -0.76 0.11 0.00 -1.02 0.00 0.00 39.78 38.45 3fw0 n ASN 568 CO 0.00 0.00 0.00 -0.46 -1.83 0.00 0.00 177.26 174.97 3fw0 n ASN 569 N -4.44 2.72 0.00 6.41 0.23 -1.26 -4.65 115.26 114.28 3fw0 n ASN 569 Ca -0.19 -1.82 0.00 0.00 -0.53 0.00 0.00 54.58 52.04 3fw0 n ASN 569 Cb 0.56 -0.06 0.00 0.00 -2.08 0.00 0.00 39.78 38.20 3fw0 n ASN 569 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3fw0 n ALA 570 N 1.09 0.00 -1.73 -2.53 0.00 -0.79 -4.64 120.51 111.90 3fw0 n ALA 570 Ca 0.12 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.19 3fw0 n ALA 570 Cb 0.48 -1.24 0.07 0.00 0.00 0.00 0.00 19.45 18.76 3fw0 n ALA 570 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3fw0 s GLU 571 N -1.61 2.55 -0.52 0.00 2.12 -1.26 -4.44 118.70 115.53 3fw0 s GLU 571 Ca 0.00 2.08 -0.26 0.00 0.36 0.00 0.00 54.97 57.14 3fw0 s GLU 571 Cb 0.00 -1.85 0.03 0.00 0.26 0.00 0.00 34.13 32.57 3fw0 s GLU 571 CO 0.00 -1.60 1.03 0.42 -0.54 0.00 0.00 175.26 174.56 3fw0 s ILE 572 N -1.38 4.29 0.13 -3.70 1.01 -1.26 -1.28 121.20 119.02 3fw0 s ILE 572 Ca 0.83 0.69 0.03 0.00 0.00 0.00 0.00 60.65 62.19 3fw0 s ILE 572 Cb -0.38 -4.57 -0.20 0.00 0.01 0.00 0.00 42.46 37.33 3fw0 s ILE 572 CO 0.40 -1.08 1.30 -0.07 0.00 0.00 0.00 174.94 175.49 3fw0 h LEU 573 N 11.13 0.19 -7.00 2.97 3.38 -0.54 -3.48 115.31 121.97 3fw0 h LEU 573 Ca -0.25 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.53 3fw0 h LEU 573 Cb 1.07 -0.06 -0.13 0.00 0.09 0.00 0.00 40.66 41.63 3fw0 h LEU 573 CO 1.10 1.07 0.24 -1.10 0.09 0.00 0.00 178.44 179.84 3fw0 s GLN 574 N -2.92 1.21 0.03 1.13 -0.21 -1.17 -5.00 119.66 112.73 3fw0 s GLN 574 Ca -0.02 -0.39 -0.14 0.00 0.02 0.00 0.00 55.36 54.84 3fw0 s GLN 574 Cb 0.09 0.56 0.02 0.00 1.00 0.00 0.00 33.01 34.68 3fw0 s GLN 574 CO 0.84 -0.52 0.30 -1.54 -2.12 0.00 0.00 175.29 172.25 3fw0 s SER 575 N -2.57 -0.13 0.17 5.90 1.04 -1.26 -1.35 113.70 115.50 3fw0 s SER 575 Ca 0.00 -0.15 -0.08 0.00 0.48 0.00 0.00 55.95 56.21 3fw0 s SER 575 Cb -0.01 0.35 0.03 0.00 0.10 0.00 0.00 66.02 66.49 3fw0 s SER 575 CO -0.10 -0.58 0.40 -1.54 0.98 0.00 0.00 173.24 172.40 3fw0 n SER 576 N 0.71 -1.07 0.00 7.02 3.41 0.46 -4.99 113.62 119.16 3fw0 n SER 576 Ca -0.19 -1.72 0.00 0.00 -0.26 0.00 0.00 58.87 56.70 3fw0 n SER 576 Cb 0.59 1.78 0.00 0.00 -0.26 0.00 0.00 64.21 66.31 3fw0 n SER 576 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3fw0 n GLY 577 N -0.27 0.70 3.73 5.00 0.00 -1.26 -0.15 105.19 112.93 3fw0 n GLY 577 Ca -0.04 -0.71 -0.41 0.00 0.00 0.00 0.00 46.02 44.86 3fw0 n GLY 577 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3fw0 s LYS 578 N -2.26 4.60 -1.11 1.61 2.20 -1.26 -3.97 119.74 119.55 3fw0 s LYS 578 Ca 0.00 1.58 -0.01 0.00 -0.36 0.00 0.00 55.97 57.18 3fw0 s LYS 578 Cb 0.00 -3.36 0.00 0.00 -1.51 0.00 0.00 37.83 32.97 3fw0 s LYS 578 CO 0.00 0.06 0.14 0.09 -0.36 0.00 0.00 175.35 175.27 3fw0 n ASN 579 N 3.01 -4.32 0.00 1.43 3.02 -0.05 -4.90 115.26 113.46 3fw0 n ASN 579 Ca 0.04 -0.07 0.00 0.00 -0.03 0.00 0.00 54.58 54.52 3fw0 n ASN 579 Cb 0.48 -3.39 0.00 0.00 -0.61 0.00 0.00 39.78 36.26 3fw0 n ASN 579 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3fw0 n LEU 580 N -2.21 1.50 -4.81 3.41 4.77 -1.26 -4.89 117.00 113.51 3fw0 n LEU 580 Ca -0.13 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.63 3fw0 n LEU 580 Cb 0.61 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.65 3fw0 n LEU 580 CO 0.23 0.24 -0.15 -0.36 -1.33 0.00 0.00 177.39 176.03 3fw0 s PHE 581 N -1.99 2.94 0.04 -1.77 0.40 -1.26 -4.91 117.98 111.43 3fw0 s PHE 581 Ca 0.00 -0.23 0.00 0.00 -0.60 0.00 0.00 56.93 56.10 3fw0 s PHE 581 Cb 0.00 -1.58 0.00 0.00 0.51 0.00 0.00 43.02 41.95 3fw0 s PHE 581 CO 0.00 0.37 0.00 0.66 0.70 0.00 0.00 175.22 176.95 3fw0 n TYR 582 N -1.23 -0.12 -3.56 0.36 4.02 -1.26 -0.40 117.16 114.96 3fw0 n TYR 582 Ca -0.05 0.02 -0.28 0.00 -0.01 0.00 0.00 57.90 57.59 3fw0 n TYR 582 Cb 0.59 0.08 -0.11 0.00 -0.02 0.00 0.00 39.34 39.88 3fw0 n TYR 582 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 3fw0 s LEU 583 N -6.19 2.29 0.31 7.72 1.43 -1.26 -4.82 118.68 118.16 3fw0 s LEU 583 Ca 0.00 -3.03 -0.28 0.00 -1.03 0.00 0.00 54.13 49.78 3fw0 s LEU 583 Cb 0.00 -0.79 -0.13 0.00 0.03 0.00 0.00 46.19 45.30 3fw0 s LEU 583 CO 0.00 -0.19 1.19 -2.65 0.23 0.00 0.00 176.35 174.93 3fw0 n PRO 584 N 2.95 1.80 0.00 1.29 -0.02 -1.26 -1.35 135.00 138.41 3fw0 n PRO 584 Ca 0.21 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 62.33 3fw0 n PRO 584 Cb 0.41 -2.14 0.00 0.00 -0.02 0.00 0.00 33.50 31.76 3fw0 n PRO 584 CO 0.00 0.00 0.00 1.58 1.98 0.00 0.00 175.50 179.06 3fw0 n HIS 585 N 0.45 0.00 -2.13 6.00 -0.00 0.92 -4.81 115.22 115.65 3fw0 n HIS 585 Ca 0.07 0.00 -0.34 0.00 0.46 0.00 0.00 57.72 57.92 3fw0 n HIS 585 Cb 0.34 0.00 0.01 0.00 -0.12 0.00 0.00 29.99 30.22 3fw0 n HIS 585 CO 0.00 0.00 0.00 0.20 0.46 0.00 0.00 176.34 177.00 3fw0 s GLY 586 N -0.38 2.32 -0.13 1.57 0.00 -0.98 -3.49 107.32 106.23 3fw0 s GLY 586 Ca 0.00 0.56 -0.07 0.00 0.00 0.00 0.00 44.72 45.22 3fw0 s GLY 586 CO 0.00 0.90 0.31 -2.27 0.00 0.00 0.00 173.10 172.04 3fw0 s LEU 587 N -4.21 0.14 0.09 0.66 2.96 -1.26 -1.84 118.68 115.22 3fw0 s LEU 587 Ca 0.67 0.67 -0.02 0.00 -0.22 0.00 0.00 54.13 55.23 3fw0 s LEU 587 Cb -0.19 0.96 -0.04 0.00 0.50 0.00 0.00 46.19 47.42 3fw0 s LEU 587 CO 0.32 -0.18 0.03 -0.94 -1.32 0.00 0.00 176.35 174.26 3fw0 s SER 588 N 1.47 0.37 -0.11 3.68 1.04 -0.19 -4.46 113.70 115.51 3fw0 s SER 588 Ca -0.08 -1.07 0.03 0.00 0.48 0.00 0.00 55.95 55.31 3fw0 s SER 588 Cb -0.10 0.26 0.01 0.00 0.10 0.00 0.00 66.02 66.29 3fw0 s SER 588 CO -0.10 -0.68 -0.21 -0.63 0.98 0.00 0.00 173.24 172.60 3fw0 s ILE 589 N -3.98 1.89 0.94 -1.02 1.01 -1.26 0.32 121.20 119.10 3fw0 s ILE 589 Ca 0.15 -0.90 -0.14 0.00 0.00 0.00 0.00 60.65 59.76 3fw0 s ILE 589 Cb 0.07 -1.66 0.20 0.00 0.01 0.00 0.00 42.46 41.08 3fw0 s ILE 589 CO -0.04 0.52 1.29 1.51 0.00 0.00 0.00 174.94 178.22 3fw0 s ASP 590 N 0.62 3.19 0.54 3.58 1.47 -0.89 -4.92 116.67 120.26 3fw0 s ASP 590 Ca -0.13 0.16 0.33 0.00 1.18 0.00 0.00 52.55 54.09 3fw0 s ASP 590 Cb -0.17 -0.21 1.39 0.00 -0.34 0.00 0.00 42.92 43.59 3fw0 s ASP 590 CO 0.03 -2.67 2.00 0.71 0.68 0.00 0.00 175.17 175.92 3fw0 h THR 591 N -1.54 0.14 -0.00 2.11 1.35 -1.91 -2.00 112.91 111.06 3fw0 h THR 591 Ca -0.43 -0.57 0.00 0.00 -0.55 0.00 0.00 66.41 64.86 3fw0 h THR 591 Cb 1.23 1.50 0.00 0.00 -1.73 0.00 0.00 68.15 69.15 3fw0 h THR 591 CO 0.37 0.05 -0.02 0.47 -0.25 0.00 0.00 175.52 176.13 3fw0 n ASP 592 N -3.18 0.03 0.00 5.36 8.00 -1.26 -4.93 116.55 120.57 3fw0 n ASP 592 Ca 0.00 0.22 0.00 0.00 0.71 0.00 0.00 54.79 55.72 3fw0 n ASP 592 Cb 0.30 -0.39 0.00 0.00 -0.02 0.00 0.00 41.12 41.01 3fw0 n ASP 592 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3fw0 n GLY 593 N 1.42 0.75 3.76 0.44 0.00 -0.75 -5.06 105.19 105.75 3fw0 n GLY 593 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 3fw0 n GLY 593 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3fw0 s ASN 594 N -2.43 7.17 0.01 1.61 0.01 -1.26 -4.59 114.94 115.45 3fw0 s ASN 594 Ca 0.00 2.36 -0.28 0.00 -0.71 0.00 0.00 52.86 54.22 3fw0 s ASN 594 Cb 0.00 -2.63 -0.04 0.00 0.41 0.00 0.00 41.25 38.99 3fw0 s ASN 594 CO 0.00 -0.22 0.90 -0.31 -1.51 0.00 0.00 177.10 175.96 3fw0 s TYR 595 N -1.16 3.67 -0.15 2.20 4.12 0.32 -2.10 117.35 124.25 3fw0 s TYR 595 Ca 0.45 1.60 -0.03 0.00 0.02 0.00 0.00 57.07 59.11 3fw0 s TYR 595 Cb -0.34 -3.02 -0.03 0.00 -1.52 0.00 0.00 41.96 37.06 3fw0 s TYR 595 CO 0.43 0.07 -0.04 -1.58 0.02 0.00 0.00 175.55 174.45 3fw0 s TRP 596 N 0.71 3.02 0.04 2.71 0.52 0.15 0.25 118.94 126.34 3fw0 s TRP 596 Ca 0.47 -0.30 0.01 0.00 0.02 0.00 0.00 56.10 56.31 3fw0 s TRP 596 Cb -0.21 -1.94 -0.03 0.00 -1.15 0.00 0.00 33.47 30.14 3fw0 s TRP 596 CO 0.26 -0.02 -0.06 0.08 0.02 0.00 0.00 176.95 177.22 3fw0 s VAL 597 N 0.31 0.40 -0.03 4.03 1.01 0.21 -1.02 120.40 125.31 3fw0 s VAL 597 Ca -0.04 -1.17 0.03 0.00 0.00 0.00 0.00 61.98 60.80 3fw0 s VAL 597 Cb -0.14 -0.68 0.00 0.00 0.00 0.00 0.00 36.38 35.57 3fw0 s VAL 597 CO 0.03 -0.51 -0.10 -0.89 0.00 0.00 0.00 175.10 173.63 3fw0 s THR 598 N -1.81 0.86 -0.17 3.92 2.01 -0.77 -0.59 115.64 119.10 3fw0 s THR 598 Ca -0.08 -0.39 0.01 0.00 0.31 0.00 0.00 61.69 61.53 3fw0 s THR 598 Cb -0.07 -0.77 0.03 0.00 0.01 0.00 0.00 72.50 71.70 3fw0 s THR 598 CO -0.01 0.27 -0.13 -0.62 -0.69 0.00 0.00 174.62 173.44 3fw0 s ASP 599 N 0.25 2.97 0.30 3.53 -1.08 -0.29 -0.06 116.67 122.30 3fw0 s ASP 599 Ca -0.05 -0.64 0.07 0.00 -0.52 0.00 0.00 52.55 51.41 3fw0 s ASP 599 Cb -0.10 -1.21 0.48 0.00 -1.46 0.00 0.00 42.92 40.63 3fw0 s ASP 599 CO 0.01 -0.09 1.71 0.58 0.52 0.00 0.00 175.17 177.90 3fw0 h VAL 600 N 6.18 1.31 0.11 1.11 2.07 -1.41 -0.93 116.25 124.70 3fw0 h VAL 600 Ca -0.35 -1.53 -0.25 0.00 0.82 0.00 0.00 66.70 65.40 3fw0 h VAL 600 Cb 1.12 1.72 0.02 0.00 -1.52 0.00 0.00 31.29 32.63 3fw0 h VAL 600 CO 0.51 0.45 -1.02 0.00 0.02 0.00 0.00 177.57 177.53 3fw0 h ALA 601 N 1.40 -0.02 0.00 1.67 0.00 -1.93 -3.28 119.26 117.10 3fw0 h ALA 601 Ca 0.01 -0.72 0.00 0.00 0.00 0.00 0.00 54.91 54.21 3fw0 h ALA 601 Cb 0.82 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.70 3fw0 h ALA 601 CO 0.06 0.54 0.00 -0.07 0.00 0.00 0.00 179.25 179.79 3fw0 h LEU 602 N 0.04 0.00 -1.42 0.00 3.38 -1.89 -3.39 115.31 112.03 3fw0 h LEU 602 Ca -0.16 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.44 3fw0 h LEU 602 Cb 1.74 0.00 0.13 0.00 0.09 0.00 0.00 40.66 42.62 3fw0 h LEU 602 CO 0.20 0.00 -0.76 1.41 0.09 0.00 0.00 178.44 179.38 3fw0 n HIS 603 N -2.99 -2.33 -4.06 1.13 8.25 -0.38 -0.20 115.22 114.63 3fw0 n HIS 603 Ca 0.03 0.94 -0.07 0.00 -0.26 0.00 0.00 57.72 58.36 3fw0 n HIS 603 Cb 0.43 -4.87 -0.10 0.00 1.12 0.00 0.00 29.99 26.57 3fw0 n HIS 603 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 3fw0 s GLN 604 N -5.81 0.59 -0.06 -0.41 -0.21 -1.03 -4.05 119.66 108.69 3fw0 s GLN 604 Ca 0.20 -1.14 0.05 0.00 0.02 0.00 0.00 55.36 54.49 3fw0 s GLN 604 Cb -0.09 0.21 -0.00 0.00 1.00 0.00 0.00 33.01 34.12 3fw0 s GLN 604 CO 0.75 -0.11 -0.20 0.08 -2.12 0.00 0.00 175.29 173.69 3fw0 s VAL 605 N -3.66 1.67 -0.01 1.09 1.01 0.00 -1.13 120.40 119.37 3fw0 s VAL 605 Ca 0.04 -0.84 0.08 0.00 0.00 0.00 0.00 61.98 61.26 3fw0 s VAL 605 Cb 0.06 -1.43 -0.02 0.00 0.00 0.00 0.00 36.38 34.98 3fw0 s VAL 605 CO -0.09 0.47 -0.25 -0.36 0.00 0.00 0.00 175.10 174.88 3fw0 s PHE 606 N 0.07 2.37 -0.19 5.22 0.40 0.25 0.38 117.98 126.48 3fw0 s PHE 606 Ca -0.07 -0.40 -0.07 0.00 -0.60 0.00 0.00 56.93 55.79 3fw0 s PHE 606 Cb -0.13 -1.50 -0.04 0.00 0.51 0.00 0.00 43.02 41.86 3fw0 s PHE 606 CO 0.04 0.01 0.06 0.21 0.70 0.00 0.00 175.22 176.24 3fw0 s LYS 607 N -0.72 3.97 -0.06 0.44 2.20 -0.12 -0.62 119.74 124.83 3fw0 s LYS 607 Ca 0.10 -0.35 0.03 0.00 -0.36 0.00 0.00 55.97 55.40 3fw0 s LYS 607 Cb -0.10 -3.22 0.00 0.00 -1.51 0.00 0.00 37.83 33.00 3fw0 s LYS 607 CO -0.00 0.26 -0.15 -0.51 -0.36 0.00 0.00 175.35 174.58 3fw0 s LEU 608 N 0.42 1.81 -0.39 5.43 1.43 0.14 -0.98 118.68 126.54 3fw0 s LEU 608 Ca 0.03 -0.34 -0.29 0.00 -1.03 0.00 0.00 54.13 52.50 3fw0 s LEU 608 Cb -0.12 -0.92 0.02 0.00 0.03 0.00 0.00 46.19 45.19 3fw0 s LEU 608 CO 0.00 0.10 1.09 -0.62 0.23 0.00 0.00 176.35 177.15 3fw0 s ASP 609 N 0.35 6.79 0.55 2.29 -1.08 -1.26 -0.52 116.67 123.79 3fw0 s ASP 609 Ca -0.10 0.78 0.37 0.00 -0.52 0.00 0.00 52.55 53.08 3fw0 s ASP 609 Cb -0.14 -2.54 1.94 0.00 -1.46 0.00 0.00 42.92 40.72 3fw0 s ASP 609 CO 0.03 -1.03 2.12 1.55 0.52 0.00 0.00 175.17 178.37 3fw0 h PRO 610 N 8.57 0.00 -0.30 4.34 0.13 -1.97 -2.37 132.00 140.40 3fw0 h PRO 610 Ca -0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 3fw0 h PRO 610 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 3fw0 h PRO 610 CO 1.07 0.00 0.00 0.72 -0.23 0.00 0.00 178.00 179.56 3fw0 n HIS 611 N -2.84 0.39 -3.57 1.56 8.25 -1.26 -4.99 115.22 112.77 3fw0 n HIS 611 Ca -0.02 -0.28 -0.34 0.00 -0.26 0.00 0.00 57.72 56.81 3fw0 n HIS 611 Cb 0.10 -0.01 -0.05 0.00 1.12 0.00 0.00 29.99 31.14 3fw0 n HIS 611 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3fw0 s SER 612 N -1.17 6.64 -0.33 0.41 0.15 -0.90 -4.99 113.70 113.52 3fw0 s SER 612 Ca 0.28 0.79 0.07 0.00 0.70 0.00 0.00 55.95 57.79 3fw0 s SER 612 Cb 0.16 -2.18 0.47 0.00 -1.71 0.00 0.00 66.02 62.77 3fw0 s SER 612 CO 0.22 0.16 1.41 0.29 1.20 0.00 0.00 173.24 176.52 3fw0 n LYS 613 N 0.83 2.55 -0.00 5.44 5.02 -1.26 -4.65 118.16 126.09 3fw0 n LYS 613 Ca -0.07 -3.58 0.01 0.00 -2.02 0.00 0.00 58.31 52.65 3fw0 n LYS 613 Cb 0.52 -2.02 -0.01 0.00 -0.02 0.00 0.00 35.03 33.50 3fw0 n LYS 613 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3fw0 n GLU 614 N -0.95 6.46 0.00 1.97 1.02 -1.26 -5.14 120.64 122.74 3fw0 n GLU 614 Ca 0.39 -0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.53 3fw0 n GLU 614 Cb 0.92 -0.58 0.00 0.00 -0.02 0.00 0.00 31.44 31.77 3fw0 n GLU 614 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3fw0 n GLY 615 N 1.04 -3.46 3.67 0.62 0.00 -1.26 -5.04 105.19 100.77 3fw0 n GLY 615 Ca 0.00 -2.14 -0.39 0.00 0.00 0.00 0.00 46.02 43.50 3fw0 n GLY 615 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3fw0 n PRO 616 N -0.12 1.29 0.14 1.61 -0.02 -1.26 -4.74 135.00 131.90 3fw0 n PRO 616 Ca 0.00 0.48 -0.24 0.00 -2.02 0.00 0.00 63.50 61.72 3fw0 n PRO 616 Cb 0.00 -2.34 -0.16 0.00 -0.02 0.00 0.00 33.50 30.98 3fw0 n PRO 616 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3fw0 h LEU 617 N 1.01 0.81 -7.69 2.45 3.38 -1.44 -3.46 115.31 110.37 3fw0 h LEU 617 Ca -0.49 -0.92 -0.26 0.00 0.09 0.00 0.00 57.88 56.30 3fw0 h LEU 617 Cb 1.33 -0.26 -0.30 0.00 0.09 0.00 0.00 40.66 41.52 3fw0 h LEU 617 CO 0.54 1.68 -0.73 -0.76 0.09 0.00 0.00 178.44 179.27 3fw0 s LEU 618 N -7.64 1.76 -0.12 1.67 1.43 -1.23 -5.00 118.68 109.54 3fw0 s LEU 618 Ca -0.10 0.00 0.03 0.00 -1.03 0.00 0.00 54.13 53.04 3fw0 s LEU 618 Cb 0.04 -0.04 0.01 0.00 0.03 0.00 0.00 46.19 46.22 3fw0 s LEU 618 CO 0.93 -0.03 -0.22 -0.63 0.23 0.00 0.00 176.35 176.63 3fw0 s ILE 619 N 0.28 2.04 -0.12 -0.59 1.01 -1.26 -0.94 121.20 121.61 3fw0 s ILE 619 Ca -0.02 -0.98 -0.03 0.00 0.00 0.00 0.00 60.65 59.61 3fw0 s ILE 619 Cb -0.04 -1.79 -0.03 0.00 0.01 0.00 0.00 42.46 40.61 3fw0 s ILE 619 CO -0.01 0.55 -0.00 -0.76 0.00 0.00 0.00 174.94 174.72 3fw0 s LEU 620 N 0.66 3.52 0.00 2.97 1.02 0.16 -4.97 118.68 122.04 3fw0 s LEU 620 Ca -0.11 0.06 0.00 0.00 0.02 0.00 0.00 54.13 54.09 3fw0 s LEU 620 Cb -0.16 -1.83 0.00 0.00 0.02 0.00 0.00 46.19 44.22 3fw0 s LEU 620 CO 0.02 0.29 0.00 0.61 0.02 0.00 0.00 176.35 177.28 3fw0 n GLY 621 N 2.76 0.82 3.43 -3.19 0.00 -1.25 -0.82 105.19 106.94 3fw0 n GLY 621 Ca -0.18 -2.10 -0.34 0.00 0.00 0.00 0.00 46.02 43.41 3fw0 n GLY 621 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3fw0 s ARG 622 N -1.36 3.54 -0.27 1.61 3.00 -1.25 -4.98 118.95 119.24 3fw0 s ARG 622 Ca 0.00 -0.59 -0.37 0.00 0.00 0.00 0.00 55.73 54.77 3fw0 s ARG 622 Cb 0.00 -2.86 -0.13 0.00 0.00 0.00 0.00 34.95 31.96 3fw0 s ARG 622 CO 0.00 0.15 1.94 0.45 0.00 0.00 0.00 175.30 177.83 3fw0 n SER 623 N 3.79 2.51 0.00 0.23 2.88 -1.26 -1.43 113.62 120.34 3fw0 n SER 623 Ca -0.18 0.82 0.00 0.00 -1.33 0.00 0.00 58.87 58.19 3fw0 n SER 623 Cb 0.52 -1.23 0.00 0.00 -0.75 0.00 0.00 64.21 62.76 3fw0 n SER 623 CO 0.00 0.00 0.00 0.23 -1.23 0.00 0.00 175.04 174.04 3fw0 n MET 624 N 6.67 -1.47 -3.77 -1.46 2.81 0.72 -4.95 117.12 115.67 3fw0 n MET 624 Ca 0.31 0.37 -0.37 0.00 -1.81 0.00 0.00 57.70 56.20 3fw0 n MET 624 Cb 0.19 -4.67 -0.12 0.00 -0.71 0.00 0.00 33.22 27.92 3fw0 n MET 624 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 3fw0 s GLN 625 N -1.61 2.23 0.55 0.03 -0.21 -0.51 -4.70 119.66 115.44 3fw0 s GLN 625 Ca 0.00 -1.62 -0.18 0.00 0.02 0.00 0.00 55.36 53.58 3fw0 s GLN 625 Cb 0.00 -3.54 -0.05 0.00 1.00 0.00 0.00 33.01 30.42 3fw0 s GLN 625 CO 0.00 -0.95 1.08 -1.25 -2.12 0.00 0.00 175.29 172.05 3fw0 s PRO 626 N 1.23 3.41 0.07 2.91 0.04 -1.26 -4.52 135.00 136.88 3fw0 s PRO 626 Ca 0.04 1.38 -0.19 0.00 0.04 0.00 0.00 61.00 62.28 3fw0 s PRO 626 Cb -0.22 -2.03 0.06 0.00 0.04 0.00 0.00 34.50 32.35 3fw0 s PRO 626 CO -0.02 -0.76 0.88 0.41 0.04 0.00 0.00 177.00 177.55 3fw0 n GLY 627 N -0.39 0.54 0.00 0.56 0.00 -0.37 -4.93 105.19 100.60 3fw0 n GLY 627 Ca 0.10 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 45.07 3fw0 n GLY 627 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3fw0 n SER 628 N -1.00 0.31 -1.77 1.61 7.64 -1.26 -3.66 113.62 115.49 3fw0 n SER 628 Ca 0.01 -0.97 0.00 0.00 1.01 0.00 0.00 58.87 58.92 3fw0 n SER 628 Cb 0.45 0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.66 3fw0 n SER 628 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 3fw0 n ASP 629 N -0.01 0.00 0.24 6.43 5.68 -1.26 -4.97 116.55 122.65 3fw0 n ASP 629 Ca 0.00 -0.46 0.12 0.00 -0.50 0.00 0.00 54.79 53.95 3fw0 n ASP 629 Cb 0.16 0.00 0.55 0.00 -1.14 0.00 0.00 41.12 40.70 3fw0 n ASP 629 CO 0.00 0.00 0.00 1.56 -1.33 0.00 0.00 177.20 177.43 3fw0 h GLN 630 N 0.00 0.00 -0.01 0.11 4.20 -2.03 -3.16 115.11 114.22 3fw0 h GLN 630 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3fw0 h GLN 630 Cb 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 3fw0 h GLN 630 CO 0.00 0.17 -0.60 0.09 -0.67 0.00 0.00 178.83 177.82 3fw0 n ASN 631 N -3.40 1.40 -4.51 1.46 3.02 -1.26 -4.81 115.26 107.16 3fw0 n ASN 631 Ca -0.00 -1.20 -0.25 0.00 -0.03 0.00 0.00 54.58 53.09 3fw0 n ASN 631 Cb 0.37 0.71 -0.10 0.00 -0.61 0.00 0.00 39.78 40.15 3fw0 n ASN 631 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 3fw0 s HIS 632 N -2.42 2.44 0.35 3.10 3.76 -1.20 -3.76 115.29 117.56 3fw0 s HIS 632 Ca 0.12 -0.30 0.06 0.00 -0.15 0.00 0.00 55.06 54.80 3fw0 s HIS 632 Cb 0.15 -1.14 -0.07 0.00 1.11 0.00 0.00 32.58 32.63 3fw0 s HIS 632 CO 0.60 0.59 -0.00 -0.06 -0.85 0.00 0.00 174.74 175.02 3fw0 s PHE 633 N -2.04 2.23 -0.31 1.40 2.99 -1.26 -4.57 117.98 116.42 3fw0 s PHE 633 Ca 0.26 -0.73 -0.03 0.00 0.00 0.00 0.00 56.93 56.43 3fw0 s PHE 633 Cb -0.07 -1.45 0.11 0.00 0.00 0.00 0.00 43.02 41.61 3fw0 s PHE 633 CO 0.14 0.31 0.14 0.00 -0.00 0.00 0.00 175.22 175.81 3fw0 n GLN 635 N 4.93 -1.20 -1.87 0.00 6.02 -1.26 -3.00 117.38 121.00 3fw0 n GLN 635 Ca -0.02 0.57 -0.37 0.00 -0.01 0.00 0.00 57.00 57.17 3fw0 n GLN 635 Cb 0.41 -3.96 0.05 0.00 1.02 0.00 0.00 30.24 27.76 3fw0 n GLN 635 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 3fw0 s PRO 636 N -5.65 2.86 0.00 -1.09 0.04 -1.26 -2.40 135.00 127.50 3fw0 s PRO 636 Ca 0.38 1.99 0.00 0.00 0.04 0.00 0.00 61.00 63.41 3fw0 s PRO 636 Cb -0.14 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.43 3fw0 s PRO 636 CO 0.86 -1.34 0.00 0.25 0.04 0.00 0.00 177.00 176.82 3fw0 n THR 637 N -1.57 0.00 -3.86 1.26 -2.24 -0.44 -4.33 114.28 103.09 3fw0 n THR 637 Ca 0.14 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.82 3fw0 n THR 637 Cb 0.48 -0.56 -0.05 0.00 -2.10 0.00 0.00 70.33 68.10 3fw0 n THR 637 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3fw0 s ASP 638 N -3.82 -0.10 -0.00 3.42 2.15 -1.23 -2.32 116.67 114.77 3fw0 s ASP 638 Ca 0.00 -0.70 0.00 0.00 0.43 0.00 0.00 52.55 52.29 3fw0 s ASP 638 Cb 0.00 0.51 -0.00 0.00 -0.30 0.00 0.00 42.92 43.13 3fw0 s ASP 638 CO 0.00 -0.98 -0.01 -0.69 -0.17 0.00 0.00 175.17 173.32 3fw0 s VAL 639 N -3.93 0.10 -0.03 1.11 1.01 -1.26 -1.83 120.40 115.57 3fw0 s VAL 639 Ca 0.14 -0.05 0.01 0.00 0.00 0.00 0.00 61.98 62.08 3fw0 s VAL 639 Cb 0.01 -0.09 0.02 0.00 0.00 0.00 0.00 36.38 36.31 3fw0 s VAL 639 CO -0.01 0.03 -0.04 0.00 0.00 0.00 0.00 175.10 175.08 3fw0 s ALA 640 N -0.00 0.55 -0.18 5.51 0.00 0.28 -4.53 121.76 123.37 3fw0 s ALA 640 Ca 0.00 -0.05 0.01 0.00 0.00 0.00 0.00 51.96 51.92 3fw0 s ALA 640 Cb -0.01 -0.32 0.03 0.00 0.00 0.00 0.00 23.12 22.83 3fw0 s ALA 640 CO -0.00 0.01 -0.13 0.08 0.00 0.00 0.00 175.76 175.72 3fw0 s VAL 641 N 0.67 1.71 -0.15 0.00 1.01 -1.26 0.16 120.40 122.53 3fw0 s VAL 641 Ca -0.08 -0.92 -0.29 0.00 0.00 0.00 0.00 61.98 60.69 3fw0 s VAL 641 Cb -0.11 -1.70 -0.03 0.00 0.00 0.00 0.00 36.38 34.54 3fw0 s VAL 641 CO -0.00 0.30 1.44 -0.70 0.00 0.00 0.00 175.10 176.14 3fw0 s GLU 642 N 1.39 4.11 0.26 2.72 2.12 -0.21 -4.80 118.70 124.30 3fw0 s GLU 642 Ca 0.01 1.78 -0.02 0.00 0.36 0.00 0.00 54.97 57.10 3fw0 s GLU 642 Cb -0.15 -3.89 0.43 0.00 0.26 0.00 0.00 34.13 30.78 3fw0 s GLU 642 CO -0.09 -0.89 1.85 -1.00 -0.54 0.00 0.00 175.26 174.59 3fw0 h PRO 643 N 9.14 1.01 0.00 4.30 0.13 -1.95 0.30 132.00 144.94 3fw0 h PRO 643 Ca -0.31 -0.06 -0.16 0.00 -0.87 0.00 0.00 66.00 64.59 3fw0 h PRO 643 Cb 1.13 -0.23 -0.02 0.00 0.13 0.00 0.00 31.00 32.01 3fw0 h PRO 643 CO 0.98 0.67 -0.77 0.66 -0.23 0.00 0.00 178.00 179.30 3fw0 h SER 644 N 1.04 0.00 0.00 1.44 4.64 -1.96 -3.36 113.55 115.35 3fw0 h SER 644 Ca 0.44 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.68 3fw0 h SER 644 Cb 0.28 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.35 3fw0 h SER 644 CO -0.21 0.77 -1.37 0.41 -0.87 0.00 0.00 176.83 175.57 3fw0 n THR 645 N -3.58 0.30 -0.50 2.95 -1.04 -1.18 -5.01 114.28 106.21 3fw0 n THR 645 Ca -0.01 -0.22 0.00 0.00 -2.04 0.00 0.00 64.05 61.78 3fw0 n THR 645 Cb 0.76 -0.53 0.00 0.00 -1.82 0.00 0.00 70.33 68.74 3fw0 n THR 645 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3fw0 n GLY 646 N 2.51 0.85 3.73 3.41 0.00 0.11 -4.93 105.19 110.86 3fw0 n GLY 646 Ca -0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 3fw0 n GLY 646 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fw0 n ALA 647 N -0.41 2.49 -3.05 4.61 0.00 -1.24 -4.29 120.51 118.62 3fw0 n ALA 647 Ca 0.00 0.38 -0.37 0.00 0.00 0.00 0.00 53.44 53.46 3fw0 n ALA 647 Cb 0.00 -2.46 -0.12 0.00 0.00 0.00 0.00 19.45 16.86 3fw0 n ALA 647 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3fw0 s VAL 648 N 0.31 4.33 -0.16 0.00 1.01 -0.81 -1.04 120.40 124.04 3fw0 s VAL 648 Ca 0.67 -0.18 -0.04 0.00 0.00 0.00 0.00 61.98 62.43 3fw0 s VAL 648 Cb -0.51 -3.03 -0.03 0.00 0.00 0.00 0.00 36.38 32.80 3fw0 s VAL 648 CO 0.44 0.33 -0.02 -0.36 0.00 0.00 0.00 175.10 175.49 3fw0 s PHE 649 N 1.62 3.06 -0.17 5.22 0.40 0.12 -0.42 117.98 127.81 3fw0 s PHE 649 Ca 0.06 -0.24 0.01 0.00 -0.60 0.00 0.00 56.93 56.16 3fw0 s PHE 649 Cb -0.15 -1.98 0.03 0.00 0.51 0.00 0.00 43.02 41.43 3fw0 s PHE 649 CO 0.04 -0.01 -0.14 0.08 0.70 0.00 0.00 175.22 175.89 3fw0 s VAL 650 N 0.37 1.72 -0.32 -0.44 1.01 -0.16 -0.56 120.40 122.02 3fw0 s VAL 650 Ca -0.03 -0.83 -0.29 0.00 0.00 0.00 0.00 61.98 60.83 3fw0 s VAL 650 Cb -0.14 -1.65 0.01 0.00 0.00 0.00 0.00 36.38 34.60 3fw0 s VAL 650 CO 0.02 0.39 1.21 -0.94 0.00 0.00 0.00 175.10 175.78 3fw0 s SER 651 N 1.41 6.77 -0.45 3.32 1.04 -0.76 -1.31 113.70 123.71 3fw0 s SER 651 Ca 0.03 1.10 -0.11 0.00 0.48 0.00 0.00 55.95 57.45 3fw0 s SER 651 Cb -0.14 -2.54 0.09 0.00 0.10 0.00 0.00 66.02 63.53 3fw0 s SER 651 CO -0.10 -1.02 0.33 -0.62 0.98 0.00 0.00 173.24 172.81 3fw0 s ASP 652 N 2.34 5.82 0.05 7.02 2.15 -0.59 -1.33 116.67 132.13 3fw0 s ASP 652 Ca 0.52 -1.55 0.00 0.00 0.43 0.00 0.00 52.55 51.95 3fw0 s ASP 652 Cb -0.14 -2.06 0.00 0.00 -0.30 0.00 0.00 42.92 40.42 3fw0 s ASP 652 CO 0.21 -0.62 0.00 0.61 -0.17 0.00 0.00 175.17 175.20 3fw0 n GLY 653 N 5.01 -0.03 0.20 2.66 0.00 -1.23 -2.94 105.19 108.87 3fw0 n GLY 653 Ca -0.11 0.00 0.07 0.00 0.00 0.00 0.00 46.02 45.98 3fw0 n GLY 653 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3fw0 h TYR 654 N 0.00 0.00 0.00 1.61 -1.99 -1.56 -3.31 116.97 111.72 3fw0 h TYR 654 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 3fw0 h TYR 654 Cb 0.48 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.21 3fw0 h TYR 654 CO 0.00 0.33 0.00 0.00 -0.00 0.00 0.00 178.16 178.49 3fw0 s ASN 656 N -0.29 2.57 -0.50 0.00 0.01 -1.25 -4.96 114.94 110.53 3fw0 s ASN 656 Ca 0.00 -1.30 0.08 0.00 -0.71 0.00 0.00 52.86 50.93 3fw0 s ASN 656 Cb 0.00 -0.13 0.33 0.00 0.41 0.00 0.00 41.25 41.86 3fw0 s ASN 656 CO 0.00 -0.50 0.82 -1.20 -1.51 0.00 0.00 177.10 174.71 3fw0 n SER 657 N -0.65 2.81 -3.97 -1.22 7.64 -1.23 -3.91 113.62 113.10 3fw0 n SER 657 Ca -0.04 -3.35 -0.08 0.00 1.01 0.00 0.00 58.87 56.41 3fw0 n SER 657 Cb 0.65 -0.60 -0.09 0.00 -1.01 0.00 0.00 64.21 63.17 3fw0 n SER 657 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3fw0 s ARG 658 N -2.85 0.66 -0.19 1.43 1.70 -1.15 -2.22 118.95 116.33 3fw0 s ARG 658 Ca 0.44 -0.98 -0.00 0.00 -0.47 0.00 0.00 55.73 54.72 3fw0 s ARG 658 Cb 0.29 0.25 0.01 0.00 -0.57 0.00 0.00 34.95 34.93 3fw0 s ARG 658 CO -0.10 -0.16 -0.16 0.42 -1.08 0.00 0.00 175.30 174.21 3fw0 s ILE 659 N -3.42 2.43 -0.14 4.99 1.01 0.51 -1.54 121.20 125.04 3fw0 s ILE 659 Ca 0.02 -0.82 -0.07 0.00 0.00 0.00 0.00 60.65 59.79 3fw0 s ILE 659 Cb 0.04 -2.04 -0.04 0.00 0.01 0.00 0.00 42.46 40.42 3fw0 s ILE 659 CO -0.08 0.51 0.10 -0.69 0.00 0.00 0.00 174.94 174.77 3fw0 s VAL 660 N 1.30 5.11 -0.14 2.92 1.01 -0.43 -1.58 120.40 128.60 3fw0 s VAL 660 Ca 0.04 0.07 -0.07 0.00 0.00 0.00 0.00 61.98 62.02 3fw0 s VAL 660 Cb -0.14 -3.25 -0.04 0.00 0.00 0.00 0.00 36.38 32.96 3fw0 s VAL 660 CO -0.09 0.55 0.11 -1.58 0.00 0.00 0.00 175.10 174.09 3fw0 s GLN 661 N -0.47 3.59 0.14 2.72 0.74 0.47 -0.99 119.66 125.85 3fw0 s GLN 661 Ca 0.11 -0.22 0.09 0.00 0.05 0.00 0.00 55.36 55.39 3fw0 s GLN 661 Cb -0.12 -3.18 -0.04 0.00 1.10 0.00 0.00 33.01 30.77 3fw0 s GLN 661 CO 0.02 0.61 -0.20 -0.06 -0.55 0.00 0.00 175.29 175.11 3fw0 s PHE 662 N -0.56 1.85 0.89 1.67 0.40 0.44 -1.15 117.98 121.51 3fw0 s PHE 662 Ca 0.12 -0.44 -0.11 0.00 -0.60 0.00 0.00 56.93 55.90 3fw0 s PHE 662 Cb -0.12 -0.95 0.13 0.00 0.51 0.00 0.00 43.02 42.59 3fw0 s PHE 662 CO 0.02 0.30 1.11 -1.12 0.70 0.00 0.00 175.22 176.23 3fw0 s SER 663 N -2.39 3.35 0.56 1.36 0.01 0.11 -1.92 113.70 114.77 3fw0 s SER 663 Ca 0.13 1.91 0.25 0.00 1.31 0.00 0.00 55.95 59.54 3fw0 s SER 663 Cb -0.07 -2.47 1.49 0.00 0.21 0.00 0.00 66.02 65.18 3fw0 s SER 663 CO 0.06 -2.78 2.09 -0.65 0.41 0.00 0.00 173.24 172.36 3fw0 h PRO 664 N -1.65 0.00 -0.07 12.44 0.11 -1.91 -0.00 132.00 140.92 3fw0 h PRO 664 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3fw0 h PRO 664 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 3fw0 h PRO 664 CO 0.47 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.13 3fw0 n SER 665 N -4.15 1.17 0.00 -2.05 3.41 -1.26 -4.94 113.62 105.81 3fw0 n SER 665 Ca 0.03 -1.50 0.00 0.00 -0.26 0.00 0.00 58.87 57.13 3fw0 n SER 665 Cb 0.34 -0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.25 3fw0 n SER 665 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3fw0 n GLY 666 N 1.09 0.52 3.76 5.00 0.00 -0.01 -5.06 105.19 110.48 3fw0 n GLY 666 Ca 0.18 -0.83 -0.39 0.00 0.00 0.00 0.00 46.02 44.97 3fw0 n GLY 666 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fw0 s LYS 667 N -1.52 4.47 0.13 1.61 1.02 -1.26 -4.76 119.74 119.43 3fw0 s LYS 667 Ca 0.00 1.03 -0.31 0.00 0.02 0.00 0.00 55.97 56.71 3fw0 s LYS 667 Cb 0.00 -3.31 -0.10 0.00 -0.52 0.00 0.00 37.83 33.90 3fw0 s LYS 667 CO 0.00 0.43 1.72 0.12 -0.92 0.00 0.00 175.35 176.70 3fw0 s PHE 668 N -0.56 2.49 -0.06 3.18 5.36 -1.26 0.03 117.98 127.17 3fw0 s PHE 668 Ca 0.36 0.24 -0.07 0.00 -0.96 0.00 0.00 56.93 56.50 3fw0 s PHE 668 Cb -0.21 -4.07 -0.02 0.00 -0.34 0.00 0.00 43.02 38.37 3fw0 s PHE 668 CO 0.23 -4.27 -0.13 0.28 -1.46 0.00 0.00 175.22 169.87 3fw0 n VAL 669 N 4.49 0.70 -4.01 3.12 0.31 -0.30 -4.87 118.33 117.75 3fw0 n VAL 669 Ca 0.16 0.30 -0.12 0.00 -0.01 0.00 0.00 64.34 64.68 3fw0 n VAL 669 Cb 0.38 -1.78 -0.03 0.00 -0.91 0.00 0.00 33.84 31.50 3fw0 n VAL 669 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 3fw0 s THR 670 N -1.83 0.00 -0.03 2.52 -1.32 -1.22 -5.02 115.64 108.73 3fw0 s THR 670 Ca -0.11 -1.44 -0.20 0.00 -1.21 0.00 0.00 61.69 58.72 3fw0 s THR 670 Cb 0.02 -2.54 0.04 0.00 -1.51 0.00 0.00 72.50 68.51 3fw0 s THR 670 CO 0.17 0.00 0.45 -1.58 -2.21 0.00 0.00 174.62 171.44 3fw0 s GLN 671 N -3.25 0.80 0.09 7.08 0.74 -1.26 -0.40 119.66 123.45 3fw0 s GLN 671 Ca 0.26 0.01 -0.10 0.00 0.05 0.00 0.00 55.36 55.57 3fw0 s GLN 671 Cb -0.01 0.36 0.01 0.00 1.10 0.00 0.00 33.01 34.47 3fw0 s GLN 671 CO 0.15 -0.23 0.24 1.67 -0.55 0.00 0.00 175.29 176.57 3fw0 s TRP 672 N -1.20 0.06 0.00 1.67 -2.14 -0.61 -4.97 118.94 111.75 3fw0 s TRP 672 Ca -0.12 -0.44 0.00 0.00 2.66 0.00 0.00 56.10 58.20 3fw0 s TRP 672 Cb -0.03 0.01 0.00 0.00 -3.10 0.00 0.00 33.47 30.35 3fw0 s TRP 672 CO 0.06 -0.57 0.00 0.41 -2.66 0.00 0.00 176.95 174.19 3fw0 n GLY 673 N -0.01 2.75 3.40 3.67 0.00 -1.26 -0.36 105.19 113.37 3fw0 n GLY 673 Ca -0.16 -1.77 -0.12 0.00 0.00 0.00 0.00 46.02 43.97 3fw0 n GLY 673 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3fw0 s GLU 674 N -3.89 1.53 0.28 1.61 -1.05 -0.94 -4.57 118.70 111.67 3fw0 s GLU 674 Ca 0.00 -1.57 -0.29 0.00 -0.15 0.00 0.00 54.97 52.96 3fw0 s GLU 674 Cb 0.00 0.38 -0.10 0.00 -0.44 0.00 0.00 34.13 33.97 3fw0 s GLU 674 CO 0.00 -0.59 1.37 -1.21 0.95 0.00 0.00 175.26 175.79 3fw0 s GLU 675 N -3.80 4.31 -0.19 -4.83 2.02 -1.26 -0.11 118.70 114.84 3fw0 s GLU 675 Ca 0.32 2.25 -0.28 0.00 0.02 0.00 0.00 54.97 57.27 3fw0 s GLU 675 Cb 0.02 -3.10 -0.05 0.00 0.10 0.00 0.00 34.13 31.10 3fw0 s GLU 675 CO 0.14 -0.32 2.07 -1.54 0.02 0.00 0.00 175.26 175.64 3fw0 s SER 676 N 0.03 5.75 0.98 -0.19 1.04 -0.94 -4.69 113.70 115.69 3fw0 s SER 676 Ca 0.55 1.91 -0.12 0.00 0.48 0.00 0.00 55.95 58.77 3fw0 s SER 676 Cb -0.41 -2.52 0.18 0.00 0.10 0.00 0.00 66.02 63.38 3fw0 s SER 676 CO 0.47 -1.72 1.09 -0.55 0.98 0.00 0.00 173.24 173.50 3fw0 s SER 677 N 7.02 2.69 0.89 7.02 0.15 -1.26 -4.92 113.70 125.29 3fw0 s SER 677 Ca 0.93 1.35 -0.12 0.00 0.70 0.00 0.00 55.95 58.81 3fw0 s SER 677 Cb -0.32 -2.03 0.08 0.00 -1.71 0.00 0.00 66.02 62.04 3fw0 s SER 677 CO 0.35 -3.11 0.84 0.61 1.20 0.00 0.00 173.24 173.14 3fw0 n GLY 678 N -0.84 -0.98 7.00 9.45 0.00 -1.26 -4.33 105.19 114.23 3fw0 n GLY 678 Ca 0.06 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.43 3fw0 n GLY 678 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3fw0 n SER 679 N -2.66 0.00 -4.75 1.61 2.88 -1.26 -4.81 113.62 104.63 3fw0 n SER 679 Ca 0.10 0.00 -0.41 0.00 -1.33 0.00 0.00 58.87 57.24 3fw0 n SER 679 Cb 0.52 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.94 3fw0 n SER 679 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 3fw0 s SER 680 N -4.00 7.19 0.32 -3.46 1.04 -1.26 -5.01 113.70 108.52 3fw0 s SER 680 Ca 0.00 2.22 -0.29 0.00 0.48 0.00 0.00 55.95 58.36 3fw0 s SER 680 Cb 0.00 -2.62 -0.11 0.00 0.10 0.00 0.00 66.02 63.40 3fw0 s SER 680 CO 0.00 -0.25 1.44 -2.84 0.98 0.00 0.00 173.24 172.57 3fw0 s PRO 681 N -0.79 4.22 0.26 4.02 0.02 -1.26 -4.72 135.00 136.74 3fw0 s PRO 681 Ca 0.48 2.40 0.09 0.00 0.02 0.00 0.00 61.00 64.00 3fw0 s PRO 681 Cb -0.32 -3.04 -0.04 0.00 0.02 0.00 0.00 34.50 31.12 3fw0 s PRO 681 CO 0.38 -0.42 0.00 1.03 -0.33 0.00 0.00 177.00 177.67 3fw0 s ARG 682 N -1.36 2.32 -0.06 5.54 0.52 -1.26 -5.03 118.95 119.62 3fw0 s ARG 682 Ca 0.55 -1.38 -0.34 0.00 -0.52 0.00 0.00 55.73 54.04 3fw0 s ARG 682 Cb -0.44 -2.19 -0.12 0.00 0.52 0.00 0.00 34.95 32.72 3fw0 s ARG 682 CO 0.53 0.37 1.83 -0.35 0.02 0.00 0.00 175.30 177.71 3fw0 n PRO 683 N -0.83 2.15 -0.07 3.54 -0.04 -1.26 -1.68 135.00 136.81 3fw0 n PRO 683 Ca -0.07 0.79 0.00 0.00 -0.04 0.00 0.00 63.50 64.18 3fw0 n PRO 683 Cb 0.59 -2.62 0.00 0.00 -0.04 0.00 0.00 33.50 31.43 3fw0 n PRO 683 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3fw0 n GLY 684 N 4.24 0.70 3.43 0.55 0.00 -1.26 -5.07 105.19 107.78 3fw0 n GLY 684 Ca 0.22 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.90 3fw0 n GLY 684 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3fw0 s GLN 685 N -0.93 3.55 0.06 1.61 -0.21 -0.68 -2.70 119.66 120.35 3fw0 s GLN 685 Ca 0.00 -0.57 0.05 0.00 0.02 0.00 0.00 55.36 54.85 3fw0 s GLN 685 Cb 0.00 -2.91 -0.04 0.00 1.00 0.00 0.00 33.01 31.06 3fw0 s GLN 685 CO 0.00 0.10 -0.05 -0.06 -2.12 0.00 0.00 175.29 173.17 3fw0 s PHE 686 N 0.71 2.90 -0.43 0.91 2.99 0.85 -4.53 117.98 121.38 3fw0 s PHE 686 Ca -0.02 -0.06 0.03 0.00 0.00 0.00 0.00 56.93 56.88 3fw0 s PHE 686 Cb -0.15 -1.54 0.12 0.00 0.00 0.00 0.00 43.02 41.46 3fw0 s PHE 686 CO 0.02 0.43 0.18 0.45 -0.00 0.00 0.00 175.22 176.31 3fw0 s SER 687 N -1.98 4.24 -0.31 1.36 0.15 -1.26 -2.21 113.70 113.69 3fw0 s SER 687 Ca 0.22 -2.55 -0.10 0.00 0.70 0.00 0.00 55.95 54.22 3fw0 s SER 687 Cb -0.11 -1.41 0.01 0.00 -1.71 0.00 0.00 66.02 62.80 3fw0 s SER 687 CO 0.13 -0.30 0.36 0.52 1.20 0.00 0.00 173.24 175.16 3fw0 n VAL 688 N 3.69 -9.35 -2.10 4.45 0.31 -1.25 -0.98 118.33 113.11 3fw0 n VAL 688 Ca 0.05 0.88 -0.42 0.00 -0.01 0.00 0.00 64.34 64.84 3fw0 n VAL 688 Cb 0.36 -6.54 -0.03 0.00 -0.91 0.00 0.00 33.84 26.73 3fw0 n VAL 688 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 3fw0 s PRO 689 N -2.03 4.20 0.00 5.55 0.04 -1.26 -0.83 135.00 140.66 3fw0 s PRO 689 Ca 0.15 2.08 0.00 0.00 0.04 0.00 0.00 61.00 63.27 3fw0 s PRO 689 Cb -0.04 -3.92 0.00 0.00 0.04 0.00 0.00 34.50 30.58 3fw0 s PRO 689 CO 0.61 -0.80 0.00 1.58 0.04 0.00 0.00 177.00 178.42 3fw0 n HIS 690 N 6.92 0.00 -3.71 0.56 -0.00 -0.53 -4.19 115.22 114.27 3fw0 n HIS 690 Ca 0.16 0.00 -0.14 0.00 0.46 0.00 0.00 57.72 58.21 3fw0 n HIS 690 Cb 0.43 0.00 -0.09 0.00 -0.12 0.00 0.00 29.99 30.21 3fw0 n HIS 690 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 3fw0 s SER 691 N -1.84 -0.46 -0.02 0.26 0.15 -1.25 -4.46 113.70 106.08 3fw0 s SER 691 Ca 0.00 0.82 0.08 0.00 0.70 0.00 0.00 55.95 57.55 3fw0 s SER 691 Cb 0.00 0.85 -0.02 0.00 -1.71 0.00 0.00 66.02 65.14 3fw0 s SER 691 CO 0.00 -0.23 -0.26 -0.76 1.20 0.00 0.00 173.24 173.19 3fw0 s LEU 692 N -0.06 2.05 -0.10 3.45 1.43 -1.26 -1.31 118.68 122.89 3fw0 s LEU 692 Ca -0.03 -0.47 0.01 0.00 -1.03 0.00 0.00 54.13 52.61 3fw0 s LEU 692 Cb -0.03 -1.32 0.02 0.00 0.03 0.00 0.00 46.19 44.89 3fw0 s LEU 692 CO 0.02 0.31 -0.10 0.00 0.23 0.00 0.00 176.35 176.81 3fw0 s ALA 693 N -0.61 1.32 0.33 4.21 0.00 -0.45 -4.88 121.76 121.69 3fw0 s ALA 693 Ca 0.10 -0.51 -0.25 0.00 0.00 0.00 0.00 51.96 51.30 3fw0 s ALA 693 Cb -0.10 -0.78 -0.10 0.00 0.00 0.00 0.00 23.12 22.14 3fw0 s ALA 693 CO -0.01 -0.21 0.93 -0.51 0.00 0.00 0.00 175.76 175.97 3fw0 s LEU 694 N 1.29 4.27 -0.52 0.00 1.43 -1.26 -0.41 118.68 123.48 3fw0 s LEU 694 Ca -0.03 1.79 0.01 0.00 -1.03 0.00 0.00 54.13 54.87 3fw0 s LEU 694 Cb -0.14 -4.08 0.13 0.00 0.03 0.00 0.00 46.19 42.14 3fw0 s LEU 694 CO -0.04 -0.11 0.29 -0.69 0.23 0.00 0.00 176.35 176.03 3fw0 s VAL 695 N -1.70 3.01 0.21 -1.59 1.01 0.23 -4.76 120.40 116.80 3fw0 s VAL 695 Ca 0.52 -2.94 -0.11 0.00 0.00 0.00 0.00 61.98 59.45 3fw0 s VAL 695 Cb -0.17 -3.05 0.21 0.00 0.00 0.00 0.00 36.38 33.37 3fw0 s VAL 695 CO 0.22 -0.79 1.65 -0.65 0.00 0.00 0.00 175.10 175.53 3fw0 h PRO 696 N 6.99 0.09 -0.31 2.72 0.11 -1.97 -2.61 132.00 137.03 3fw0 h PRO 696 Ca -0.06 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.05 3fw0 h PRO 696 Cb 0.95 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.04 3fw0 h PRO 696 CO 0.68 0.06 0.00 0.72 -0.21 0.00 0.00 178.00 179.24 3fw0 n HIS 697 N -5.31 0.39 -0.24 0.65 8.25 -1.26 -3.87 115.22 113.82 3fw0 n HIS 697 Ca 0.09 -0.22 0.03 0.00 -0.26 0.00 0.00 57.72 57.35 3fw0 n HIS 697 Cb 0.35 -0.00 0.06 0.00 1.12 0.00 0.00 29.99 31.52 3fw0 n HIS 697 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3fw0 n LEU 698 N 1.29 2.28 -3.96 2.41 4.77 -1.13 -5.01 117.00 117.65 3fw0 n LEU 698 Ca 0.17 -2.22 -0.29 0.00 -0.03 0.00 0.00 56.01 53.64 3fw0 n LEU 698 Cb 0.55 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.52 3fw0 n LEU 698 CO 0.14 0.58 -0.05 0.47 -1.33 0.00 0.00 177.39 177.20 3fw0 n ASP 699 N -0.50 -2.59 -4.43 -1.43 8.00 -1.06 -4.91 116.55 109.64 3fw0 n ASP 699 Ca 0.05 -0.90 -0.26 0.00 0.71 0.00 0.00 54.79 54.39 3fw0 n ASP 699 Cb 0.37 -3.44 -0.11 0.00 -0.02 0.00 0.00 41.12 37.92 3fw0 n ASP 699 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 3fw0 s GLN 700 N -6.56 1.54 -0.13 -1.24 -0.21 -1.01 0.43 119.66 112.49 3fw0 s GLN 700 Ca 0.38 -1.58 -0.02 0.00 0.02 0.00 0.00 55.36 54.17 3fw0 s GLN 700 Cb -0.20 -1.80 0.04 0.00 1.00 0.00 0.00 33.01 32.05 3fw0 s GLN 700 CO 0.87 0.37 0.00 -1.17 -2.12 0.00 0.00 175.29 173.24 3fw0 s LEU 701 N -2.88 0.92 -0.12 2.90 1.98 0.23 -0.60 118.68 121.11 3fw0 s LEU 701 Ca 0.23 -0.41 -0.08 0.00 -2.89 0.00 0.00 54.13 50.98 3fw0 s LEU 701 Cb -0.07 -0.56 -0.04 0.00 0.66 0.00 0.00 46.19 46.18 3fw0 s LEU 701 CO 0.11 -0.23 0.15 0.00 -1.89 0.00 0.00 176.35 174.49 3fw0 s VAL 703 N -0.91 1.85 -0.36 0.00 1.01 0.24 -1.34 120.40 120.89 3fw0 s VAL 703 Ca 0.15 -0.90 -0.27 0.00 0.00 0.00 0.00 61.98 60.96 3fw0 s VAL 703 Cb -0.12 -1.61 0.02 0.00 0.00 0.00 0.00 36.38 34.67 3fw0 s VAL 703 CO 0.04 0.51 0.97 0.00 0.00 0.00 0.00 175.10 176.62 3fw0 s ALA 704 N 0.39 3.41 -0.98 5.51 0.00 -0.42 -0.26 121.76 129.42 3fw0 s ALA 704 Ca -0.17 -0.36 -0.14 0.00 0.00 0.00 0.00 51.96 51.28 3fw0 s ALA 704 Cb -0.17 -3.59 0.20 0.00 0.00 0.00 0.00 23.12 19.56 3fw0 s ALA 704 CO 0.08 -1.61 1.05 0.34 0.00 0.00 0.00 175.76 175.62 3fw0 s ASP 705 N 1.86 6.89 0.09 0.00 2.15 0.63 -1.46 116.67 126.83 3fw0 s ASP 705 Ca 0.40 -2.73 -0.30 0.00 0.43 0.00 0.00 52.55 50.35 3fw0 s ASP 705 Cb -0.12 -2.30 -0.13 0.00 -0.30 0.00 0.00 42.92 40.08 3fw0 s ASP 705 CO 0.19 -0.69 1.48 -0.09 -0.17 0.00 0.00 175.17 175.89 3fw0 h ARG 706 N 7.76 -0.63 0.00 4.34 2.43 -0.95 -1.62 114.38 125.72 3fw0 h ARG 706 Ca 0.17 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.38 3fw0 h ARG 706 Cb 0.98 0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.67 3fw0 h ARG 706 CO 0.99 -0.42 0.00 0.39 -1.51 0.00 0.00 179.97 179.42 3fw0 n GLU 707 N -5.09 0.02 0.00 0.20 4.71 -0.15 -2.69 120.64 117.63 3fw0 n GLU 707 Ca -0.07 0.21 0.11 0.00 -0.01 0.00 0.00 57.16 57.40 3fw0 n GLU 707 Cb 0.36 -1.50 0.01 0.00 -1.01 0.00 0.00 31.44 29.30 3fw0 n GLU 707 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 3fw0 n ASN 708 N -1.49 2.03 -3.65 1.62 5.03 -0.65 -4.85 115.26 113.30 3fw0 n ASN 708 Ca 0.04 -1.51 -0.25 0.00 0.87 0.00 0.00 54.58 53.74 3fw0 n ASN 708 Cb 0.19 0.46 0.07 0.00 -1.02 0.00 0.00 39.78 39.49 3fw0 n ASN 708 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3fw0 n GLY 709 N 1.42 -0.52 3.24 7.41 0.00 -0.94 -4.91 105.19 110.88 3fw0 n GLY 709 Ca 0.09 0.23 -0.09 0.00 0.00 0.00 0.00 46.02 46.26 3fw0 n GLY 709 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3fw0 s ARG 710 N -6.30 0.95 -0.13 1.61 1.70 -1.21 -4.54 118.95 111.02 3fw0 s ARG 710 Ca 0.55 -1.12 0.01 0.00 -0.47 0.00 0.00 55.73 54.70 3fw0 s ARG 710 Cb -0.25 0.33 -0.01 0.00 -0.57 0.00 0.00 34.95 34.45 3fw0 s ARG 710 CO 0.75 -0.31 -0.16 0.42 -1.08 0.00 0.00 175.30 174.92 3fw0 s ILE 711 N -3.93 2.67 -0.13 4.99 1.01 0.41 -0.27 121.20 125.96 3fw0 s ILE 711 Ca 0.12 -0.79 0.00 0.00 0.00 0.00 0.00 60.65 59.99 3fw0 s ILE 711 Cb 0.05 -2.10 -0.01 0.00 0.01 0.00 0.00 42.46 40.40 3fw0 s ILE 711 CO -0.05 0.53 -0.14 -1.10 0.00 0.00 0.00 174.94 174.18 3fw0 s GLN 712 N 0.55 3.36 -0.08 2.79 -0.21 0.64 -0.46 119.66 126.25 3fw0 s GLN 712 Ca -0.10 -0.70 0.03 0.00 0.02 0.00 0.00 55.36 54.61 3fw0 s GLN 712 Cb -0.16 -2.61 -0.02 0.00 1.00 0.00 0.00 33.01 31.22 3fw0 s GLN 712 CO 0.04 0.22 -0.15 0.00 -2.12 0.00 0.00 175.29 173.28 3fw0 s PHE 714 N -0.31 1.52 0.11 0.00 0.40 -0.05 -0.25 117.98 119.41 3fw0 s PHE 714 Ca 0.02 -0.47 -0.31 0.00 -0.60 0.00 0.00 56.93 55.57 3fw0 s PHE 714 Cb -0.13 -0.82 -0.08 0.00 0.51 0.00 0.00 43.02 42.50 3fw0 s PHE 714 CO 0.03 0.16 1.41 0.15 0.70 0.00 0.00 175.22 177.67 3fw0 s LYS 715 N -2.14 4.31 0.45 0.44 -0.14 0.55 -0.60 119.74 122.61 3fw0 s LYS 715 Ca 0.05 2.10 0.19 0.00 -1.36 0.00 0.00 55.97 56.95 3fw0 s LYS 715 Cb -0.08 -3.26 1.07 0.00 -1.68 0.00 0.00 37.83 33.88 3fw0 s LYS 715 CO 0.04 -0.46 1.97 0.00 -0.76 0.00 0.00 175.35 176.13 3fw0 h THR 716 N 4.27 0.96 0.03 2.17 1.03 -0.32 -0.92 112.91 120.12 3fw0 h THR 716 Ca -0.42 -0.79 -0.37 0.00 -0.01 0.00 0.00 66.41 64.82 3fw0 h THR 716 Cb 1.21 1.45 -0.05 0.00 -1.07 0.00 0.00 68.15 69.69 3fw0 h THR 716 CO 0.87 0.21 -2.11 -0.90 -0.01 0.00 0.00 175.52 173.58 3fw0 n ASP 717 N -4.00 1.98 -0.43 0.00 3.85 -1.26 -4.59 116.55 112.10 3fw0 n ASP 717 Ca -0.02 0.21 0.11 0.00 -0.71 0.00 0.00 54.79 54.37 3fw0 n ASP 717 Cb 0.29 -0.76 -0.02 0.00 -1.35 0.00 0.00 41.12 39.28 3fw0 n ASP 717 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.20 176.60 3fw0 n THR 718 N -3.87 0.00 -1.04 2.12 -1.04 -1.24 -4.95 114.28 104.27 3fw0 n THR 718 Ca -0.42 -0.23 -0.01 0.00 -2.04 0.00 0.00 64.05 61.35 3fw0 n THR 718 Cb 0.90 1.23 -0.01 0.00 -1.82 0.00 0.00 70.33 70.63 3fw0 n THR 718 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 3fw0 n LYS 719 N -0.21 -1.67 -1.70 -2.82 4.01 -0.35 -4.94 118.16 110.47 3fw0 n LYS 719 Ca 0.08 0.48 -0.43 0.00 -0.51 0.00 0.00 58.31 57.93 3fw0 n LYS 719 Cb 0.45 -4.76 -0.03 0.00 -0.51 0.00 0.00 35.03 30.18 3fw0 n LYS 719 CO 0.00 0.00 0.00 0.39 -1.11 0.00 0.00 177.40 176.68 3fw0 n GLU 720 N 0.20 2.52 -1.81 1.97 1.02 -1.26 -4.65 120.64 118.63 3fw0 n GLU 720 Ca -0.01 0.91 -0.42 0.00 -0.02 0.00 0.00 57.16 57.61 3fw0 n GLU 720 Cb 0.44 -2.71 -0.03 0.00 -0.02 0.00 0.00 31.44 29.12 3fw0 n GLU 720 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 3fw0 s PHE 721 N 0.83 1.84 -0.23 -0.32 5.36 -1.26 -0.33 117.98 123.86 3fw0 s PHE 721 Ca 0.74 -0.07 -0.18 0.00 -0.96 0.00 0.00 56.93 56.46 3fw0 s PHE 721 Cb -0.57 -4.10 -0.17 0.00 -0.34 0.00 0.00 43.02 37.85 3fw0 s PHE 721 CO 0.37 -4.69 0.01 0.28 -1.46 0.00 0.00 175.22 169.73 3fw0 n VAL 722 N 5.22 1.54 -3.54 3.12 0.31 0.66 -4.90 118.33 120.73 3fw0 n VAL 722 Ca 0.18 -0.17 -0.10 0.00 -0.01 0.00 0.00 64.34 64.24 3fw0 n VAL 722 Cb 0.41 -1.97 -0.04 0.00 -0.91 0.00 0.00 33.84 31.33 3fw0 n VAL 722 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 3fw0 s ARG 723 N -2.42 0.71 -0.08 5.55 3.52 -1.14 -5.03 118.95 120.07 3fw0 s ARG 723 Ca -0.32 -0.04 0.04 0.00 -0.13 0.00 0.00 55.73 55.28 3fw0 s ARG 723 Cb 0.09 0.33 0.00 0.00 -1.56 0.00 0.00 34.95 33.82 3fw0 s ARG 723 CO 0.56 -0.27 -0.20 -2.00 -0.81 0.00 0.00 175.30 172.58 3fw0 s GLU 724 N -1.98 2.46 -0.24 5.12 2.12 -1.26 -1.43 118.70 123.50 3fw0 s GLU 724 Ca 0.01 -0.73 -0.05 0.00 0.36 0.00 0.00 54.97 54.56 3fw0 s GLU 724 Cb -0.01 -1.95 -0.01 0.00 0.26 0.00 0.00 34.13 32.42 3fw0 s GLU 724 CO -0.02 0.18 -0.00 0.42 -0.54 0.00 0.00 175.26 175.29 3fw0 s ILE 725 N 0.31 3.64 -0.09 -3.70 1.01 0.39 -4.98 121.20 117.78 3fw0 s ILE 725 Ca -0.14 -0.46 -0.05 0.00 0.00 0.00 0.00 60.65 60.01 3fw0 s ILE 725 Cb -0.16 -2.70 0.04 0.00 0.01 0.00 0.00 42.46 39.65 3fw0 s ILE 725 CO 0.06 0.36 0.21 -0.75 0.00 0.00 0.00 174.94 174.82 3fw0 s LYS 726 N 1.51 0.17 0.04 2.79 2.20 -1.26 -0.44 119.74 124.75 3fw0 s LYS 726 Ca 0.05 0.45 0.04 0.00 -0.36 0.00 0.00 55.97 56.15 3fw0 s LYS 726 Cb -0.15 -0.11 -0.02 0.00 -1.51 0.00 0.00 37.83 36.04 3fw0 s LYS 726 CO -0.01 -0.15 -0.11 -1.01 -0.36 0.00 0.00 175.35 173.71 3fw0 s HIS 727 N 1.09 0.93 0.41 4.03 3.76 -1.26 -5.03 115.29 119.21 3fw0 s HIS 727 Ca -0.08 -0.41 0.09 0.00 -0.15 0.00 0.00 55.06 54.51 3fw0 s HIS 727 Cb -0.10 -0.55 0.88 0.00 1.11 0.00 0.00 32.58 33.92 3fw0 s HIS 727 CO -0.07 -0.01 2.02 0.00 -0.85 0.00 0.00 174.74 175.83 3fw0 h ALA 728 N 4.71 1.79 -0.03 -1.40 0.00 -1.95 -1.88 119.26 120.51 3fw0 h ALA 728 Ca -0.37 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.53 3fw0 h ALA 728 Cb 1.19 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 3fw0 h ALA 728 CO 0.42 0.14 0.03 0.77 0.00 0.00 0.00 179.25 180.61 3fw0 h SER 729 N 0.57 0.00 -0.79 0.00 0.02 -2.00 -2.43 113.55 108.92 3fw0 h SER 729 Ca 0.22 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.14 3fw0 h SER 729 Cb 0.17 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.67 3fw0 h SER 729 CO -0.06 0.00 0.38 -0.26 -1.14 0.00 0.00 176.83 175.75 3fw0 h PHE 730 N 0.00 1.14 0.00 3.45 0.05 -1.69 -3.46 116.94 116.42 3fw0 h PHE 730 Ca 0.01 -0.06 0.00 0.00 3.82 0.00 0.00 57.97 61.75 3fw0 h PHE 730 Cb 0.07 -0.35 0.00 0.00 2.00 0.00 0.00 35.95 37.67 3fw0 h PHE 730 CO 0.00 0.83 0.00 0.41 -0.18 0.00 0.00 178.31 179.37 3fw0 n GLY 731 N -0.99 0.41 0.16 -1.45 0.00 -0.92 -4.25 105.19 98.16 3fw0 n GLY 731 Ca 0.07 -1.12 0.08 0.00 0.00 0.00 0.00 46.02 45.05 3fw0 n GLY 731 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3fw0 h ARG 732 N 0.00 0.00 -4.57 1.61 3.08 -1.92 -3.43 114.38 109.14 3fw0 h ARG 732 Ca 0.00 0.00 -0.30 0.00 0.07 0.00 0.00 59.98 59.75 3fw0 h ARG 732 Cb 0.00 0.00 -0.23 0.00 0.08 0.00 0.00 29.97 29.82 3fw0 h ARG 732 CO 0.00 0.16 -0.74 -0.80 -1.07 0.00 0.00 179.97 177.51 3fw0 s ASN 733 N -5.99 0.87 -0.26 7.04 0.01 -1.26 -2.37 114.94 112.97 3fw0 s ASN 733 Ca 0.03 -0.43 0.03 0.00 -0.71 0.00 0.00 52.86 51.78 3fw0 s ASN 733 Cb 0.07 -0.00 0.06 0.00 0.41 0.00 0.00 41.25 41.79 3fw0 s ASN 733 CO 0.74 -0.12 -0.10 -0.69 -1.51 0.00 0.00 177.10 175.42 3fw0 s VAL 734 N -1.02 2.19 -0.09 1.60 1.01 -1.15 -3.09 120.40 119.84 3fw0 s VAL 734 Ca -0.06 -1.66 -0.26 0.00 0.00 0.00 0.00 61.98 60.01 3fw0 s VAL 734 Cb -0.08 -2.30 -0.28 0.00 0.00 0.00 0.00 36.38 33.72 3fw0 s VAL 734 CO 0.00 -0.05 0.84 -0.26 0.00 0.00 0.00 175.10 175.64 3fw0 h PHE 735 N 7.77 0.25 -3.03 5.22 -1.00 -0.76 -3.33 116.94 122.06 3fw0 h PHE 735 Ca -0.19 -0.18 -0.12 0.00 2.81 0.00 0.00 57.97 60.29 3fw0 h PHE 735 Cb 1.04 -0.01 -0.21 0.00 3.61 0.00 0.00 35.95 40.38 3fw0 h PHE 735 CO 0.63 1.13 -0.29 0.00 -1.61 0.00 0.00 178.31 178.17 3fw0 s ALA 736 N -2.37 -0.78 0.17 2.45 0.00 -1.14 -4.36 121.76 115.73 3fw0 s ALA 736 Ca -0.16 0.41 0.06 0.00 0.00 0.00 0.00 51.96 52.27 3fw0 s ALA 736 Cb -0.01 -0.02 -0.04 0.00 0.00 0.00 0.00 23.12 23.04 3fw0 s ALA 736 CO 0.75 -0.24 -0.13 0.96 0.00 0.00 0.00 175.76 177.10 3fw0 s ILE 737 N -1.09 1.49 -0.19 0.00 -4.36 -1.26 -0.94 121.20 114.85 3fw0 s ILE 737 Ca -0.11 -2.08 -0.16 0.00 -0.26 0.00 0.00 60.65 58.04 3fw0 s ILE 737 Cb -0.05 -1.89 0.05 0.00 1.25 0.00 0.00 42.46 41.82 3fw0 s ILE 737 CO 0.04 -0.61 0.50 -0.55 0.24 0.00 0.00 174.94 174.55 3fw0 s SER 738 N -3.11 -0.54 -0.09 4.36 0.15 -0.43 -4.66 113.70 109.37 3fw0 s SER 738 Ca 0.18 1.02 -0.00 0.00 0.70 0.00 0.00 55.95 57.85 3fw0 s SER 738 Cb -0.00 1.00 -0.03 0.00 -1.71 0.00 0.00 66.02 65.28 3fw0 s SER 738 CO 0.04 -0.18 -0.06 -0.47 1.20 0.00 0.00 173.24 173.77 3fw0 s TYR 739 N 0.53 2.96 0.10 3.44 5.04 -1.26 -0.46 117.35 127.70 3fw0 s TYR 739 Ca -0.02 -0.05 0.05 0.00 -2.44 0.00 0.00 57.07 54.61 3fw0 s TYR 739 Cb -0.04 -1.76 -0.03 0.00 0.35 0.00 0.00 41.96 40.47 3fw0 s TYR 739 CO -0.03 0.26 -0.12 0.96 -1.34 0.00 0.00 175.55 175.28 3fw0 s ILE 740 N -0.57 1.09 -0.07 3.14 -4.36 -0.89 -4.82 121.20 114.72 3fw0 s ILE 740 Ca 0.09 -1.57 -0.38 0.00 -0.26 0.00 0.00 60.65 58.52 3fw0 s ILE 740 Cb -0.12 -1.33 -0.16 0.00 1.25 0.00 0.00 42.46 42.11 3fw0 s ILE 740 CO 0.02 -0.43 1.56 -2.65 0.24 0.00 0.00 174.94 173.68 3fw0 n PRO 741 N 0.73 1.30 0.00 0.37 -0.02 -1.26 -0.29 135.00 135.84 3fw0 n PRO 741 Ca -0.17 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 61.78 3fw0 n PRO 741 Cb 0.57 -2.16 0.00 0.00 -0.02 0.00 0.00 33.50 31.89 3fw0 n PRO 741 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3fw0 n GLY 742 N 3.41 3.29 2.99 -1.23 0.00 -1.26 -5.04 105.19 107.34 3fw0 n GLY 742 Ca 0.22 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.09 3fw0 n GLY 742 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3fw0 s PHE 743 N -2.50 0.53 -0.18 1.61 0.40 0.61 -1.78 117.98 116.67 3fw0 s PHE 743 Ca 0.00 -0.19 -0.02 0.00 -0.60 0.00 0.00 56.93 56.12 3fw0 s PHE 743 Cb 0.00 -0.34 -0.01 0.00 0.51 0.00 0.00 43.02 43.18 3fw0 s PHE 743 CO 0.00 -0.02 -0.08 -1.17 0.70 0.00 0.00 175.22 174.64 3fw0 s LEU 744 N -0.47 2.81 -0.01 -0.37 0.20 -0.46 -2.09 118.68 118.29 3fw0 s LEU 744 Ca -0.01 -0.36 -0.07 0.00 0.69 0.00 0.00 54.13 54.38 3fw0 s LEU 744 Cb -0.04 -1.68 -0.05 0.00 -0.43 0.00 0.00 46.19 43.99 3fw0 s LEU 744 CO -0.00 0.06 0.26 -0.36 -0.29 0.00 0.00 176.35 176.02 3fw0 s PHE 745 N 0.97 3.60 0.13 5.38 0.40 0.39 -0.14 117.98 128.70 3fw0 s PHE 745 Ca -0.01 0.61 -0.03 0.00 -0.60 0.00 0.00 56.93 56.90 3fw0 s PHE 745 Cb -0.15 -2.01 -0.03 0.00 0.51 0.00 0.00 43.02 41.34 3fw0 s PHE 745 CO -0.00 0.64 0.09 0.00 0.70 0.00 0.00 175.22 176.65 3fw0 s ALA 746 N -1.23 0.61 -0.00 5.36 0.00 -0.36 -1.32 121.76 124.81 3fw0 s ALA 746 Ca 0.25 -1.29 -0.00 0.00 0.00 0.00 0.00 51.96 50.92 3fw0 s ALA 746 Cb -0.13 0.78 0.00 0.00 0.00 0.00 0.00 23.12 23.77 3fw0 s ALA 746 CO 0.14 -0.50 0.01 0.54 0.00 0.00 0.00 175.76 175.94 3fw0 s VAL 747 N -4.01 -0.01 0.20 0.00 0.11 -0.12 -0.52 120.40 116.06 3fw0 s VAL 747 Ca 0.20 0.02 0.02 0.00 -2.93 0.00 0.00 61.98 59.29 3fw0 s VAL 747 Cb 0.07 -0.02 0.02 0.00 -1.53 0.00 0.00 36.38 34.91 3fw0 s VAL 747 CO -0.01 0.01 0.18 -0.46 -3.33 0.00 0.00 175.10 171.49 3fw0 n ASN 748 N 3.20 1.43 -4.96 3.54 2.04 -1.14 -0.11 115.26 119.26 3fw0 n ASN 748 Ca -0.14 -1.66 -0.23 0.00 -0.44 0.00 0.00 54.58 52.12 3fw0 n ASN 748 Cb 0.59 -0.05 0.01 0.00 -2.53 0.00 0.00 39.78 37.81 3fw0 n ASN 748 CO 0.00 0.00 0.00 -0.83 -0.44 0.00 0.00 177.26 175.99 3fw0 s GLY 749 N -2.60 1.61 0.13 4.83 0.00 -1.18 -4.56 107.32 105.55 3fw0 s GLY 749 Ca 0.14 -1.10 -0.30 0.00 0.00 0.00 0.00 44.72 43.45 3fw0 s GLY 749 CO 0.09 -0.92 1.24 1.25 0.00 0.00 0.00 173.10 174.75 3fw0 s LYS 750 N -4.58 4.44 0.54 2.90 2.20 -1.26 -4.21 119.74 119.77 3fw0 s LYS 750 Ca 0.50 1.88 -0.21 0.00 -0.36 0.00 0.00 55.97 57.77 3fw0 s LYS 750 Cb -0.10 -3.28 -0.05 0.00 -1.51 0.00 0.00 37.83 32.89 3fw0 s LYS 750 CO 0.38 -0.22 1.23 -1.25 -0.36 0.00 0.00 175.35 175.13 3fw0 s PRO 751 N 0.49 3.27 0.90 4.03 0.04 -1.26 -5.01 135.00 137.47 3fw0 s PRO 751 Ca 0.57 1.91 -0.11 0.00 0.04 0.00 0.00 61.00 63.41 3fw0 s PRO 751 Cb -0.32 -2.16 0.13 0.00 0.04 0.00 0.00 34.50 32.19 3fw0 s PRO 751 CO 0.33 -0.99 1.09 0.71 0.04 0.00 0.00 177.00 178.18 3fw0 s TYR 752 N -1.51 2.21 0.13 0.56 4.12 -1.26 -4.94 117.35 116.67 3fw0 s TYR 752 Ca 0.71 1.33 -0.31 0.00 0.02 0.00 0.00 57.07 58.82 3fw0 s TYR 752 Cb -0.32 -3.16 -0.11 0.00 -1.52 0.00 0.00 41.96 36.85 3fw0 s TYR 752 CO 0.37 -2.48 1.85 -0.06 0.02 0.00 0.00 175.55 175.25 3fw0 s PHE 753 N -2.87 2.14 0.00 2.71 0.08 -1.26 -2.33 117.98 116.45 3fw0 s PHE 753 Ca 0.64 -0.05 0.00 0.00 0.12 0.00 0.00 56.93 57.64 3fw0 s PHE 753 Cb -0.19 -4.20 0.00 0.00 -0.57 0.00 0.00 43.02 38.06 3fw0 s PHE 753 CO 0.57 -4.96 0.00 0.41 -0.10 0.00 0.00 175.22 171.15 3fw0 n GLY 754 N 4.25 2.55 3.75 4.36 0.00 -1.26 -5.08 105.19 113.76 3fw0 n GLY 754 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 3fw0 n GLY 754 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3fw0 s ASP 755 N -0.63 7.05 0.24 1.61 -0.00 -0.98 -4.96 116.67 118.99 3fw0 s ASP 755 Ca 0.00 2.36 0.02 0.00 -0.00 0.00 0.00 52.55 54.94 3fw0 s ASP 755 Cb 0.00 -2.62 0.27 0.00 -0.00 0.00 0.00 42.92 40.56 3fw0 s ASP 755 CO 0.00 -0.36 1.59 1.56 -0.00 0.00 0.00 175.17 177.96 3fw0 h GLN 756 N 4.47 0.36 -6.19 8.23 1.08 -1.98 -3.45 115.11 117.63 3fw0 h GLN 756 Ca -0.46 -0.21 -0.59 0.00 -1.45 0.00 0.00 58.65 55.93 3fw0 h GLN 756 Cb 1.22 0.02 -0.10 0.00 -0.05 0.00 0.00 27.48 28.56 3fw0 h GLN 756 CO 0.71 0.79 0.62 -1.21 -0.95 0.00 0.00 178.83 178.78 3fw0 s GLU 757 N -3.98 3.63 0.83 1.46 8.01 -1.26 -5.04 118.70 122.35 3fw0 s GLU 757 Ca -0.05 0.30 -0.10 0.00 0.01 0.00 0.00 54.97 55.13 3fw0 s GLU 757 Cb 0.12 -3.89 0.09 0.00 -4.31 0.00 0.00 34.13 26.14 3fw0 s GLU 757 CO 0.80 -1.17 1.11 -1.25 0.01 0.00 0.00 175.26 174.76 3fw0 s PRO 758 N 3.75 1.76 0.15 0.39 0.04 -1.26 -4.26 135.00 135.57 3fw0 s PRO 758 Ca 0.38 1.24 -0.31 0.00 0.04 0.00 0.00 61.00 62.35 3fw0 s PRO 758 Cb -0.10 -1.84 -0.08 0.00 0.04 0.00 0.00 34.50 32.52 3fw0 s PRO 758 CO 0.25 -2.01 1.36 0.08 0.04 0.00 0.00 177.00 176.72 3fw0 s VAL 759 N -2.83 3.23 0.18 -0.36 1.01 -1.26 -4.89 120.40 115.48 3fw0 s VAL 759 Ca 0.63 0.94 -0.20 0.00 0.00 0.00 0.00 61.98 63.35 3fw0 s VAL 759 Cb -0.19 -3.60 0.04 0.00 0.00 0.00 0.00 36.38 32.64 3fw0 s VAL 759 CO 0.57 0.10 0.55 -1.10 0.00 0.00 0.00 175.10 175.22 3fw0 s GLN 760 N 0.58 1.34 0.10 2.72 -0.21 -1.26 -4.96 119.66 117.97 3fw0 s GLN 760 Ca 0.61 -0.71 -0.09 0.00 0.02 0.00 0.00 55.36 55.20 3fw0 s GLN 760 Cb -0.37 0.55 -0.06 0.00 1.00 0.00 0.00 33.01 34.13 3fw0 s GLN 760 CO 0.34 -0.58 0.41 0.20 -2.12 0.00 0.00 175.29 173.54 3fw0 s GLY 761 N -2.82 2.31 -0.03 3.09 0.00 -0.01 -2.88 107.32 106.97 3fw0 s GLY 761 Ca 0.05 -0.41 0.06 0.00 0.00 0.00 0.00 44.72 44.42 3fw0 s GLY 761 CO -0.07 -0.22 -0.21 -1.36 0.00 0.00 0.00 173.10 171.24 3fw0 s PHE 762 N -1.48 1.94 -0.15 1.90 0.40 0.32 -1.23 117.98 119.67 3fw0 s PHE 762 Ca 0.36 -0.47 -0.02 0.00 -0.60 0.00 0.00 56.93 56.20 3fw0 s PHE 762 Cb -0.13 -1.27 -0.02 0.00 0.51 0.00 0.00 43.02 42.11 3fw0 s PHE 762 CO 0.20 -0.11 -0.08 0.08 0.70 0.00 0.00 175.22 176.00 3fw0 s VAL 763 N -0.27 3.46 0.05 -0.44 1.01 0.09 -1.22 120.40 123.09 3fw0 s VAL 763 Ca 0.02 -0.51 0.09 0.00 0.00 0.00 0.00 61.98 61.58 3fw0 s VAL 763 Cb -0.10 -2.49 -0.03 0.00 0.00 0.00 0.00 36.38 33.76 3fw0 s VAL 763 CO 0.01 0.51 -0.23 -0.04 0.00 0.00 0.00 175.10 175.34 3fw0 s MET 764 N 0.40 1.87 -0.08 2.72 -1.94 0.80 -0.61 119.30 122.47 3fw0 s MET 764 Ca -0.07 -1.08 -0.29 0.00 -1.71 0.00 0.00 55.69 52.53 3fw0 s MET 764 Cb -0.15 -2.06 -0.05 0.00 2.01 0.00 0.00 34.83 34.58 3fw0 s MET 764 CO 0.04 0.52 1.73 1.21 -0.01 0.00 0.00 175.02 178.50 3fw0 s ASN 765 N -1.39 6.51 0.40 3.03 3.84 -0.58 -1.36 114.94 125.39 3fw0 s ASN 765 Ca 0.13 2.17 0.09 0.00 0.21 0.00 0.00 52.86 55.46 3fw0 s ASN 765 Cb -0.10 -2.53 0.83 0.00 -0.55 0.00 0.00 41.25 38.89 3fw0 s ASN 765 CO 0.04 -1.07 1.95 0.15 -2.79 0.00 0.00 177.10 175.39 3fw0 h PHE 766 N 10.23 0.29 -0.02 0.43 3.57 -1.65 0.13 116.94 129.92 3fw0 h PHE 766 Ca -0.40 -0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.05 3fw0 h PHE 766 Cb 1.19 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 39.84 3fw0 h PHE 766 CO 0.90 0.34 -0.11 1.03 -2.23 0.00 0.00 178.31 178.25 3fw0 h SER 767 N 0.27 0.14 1.00 0.41 0.87 -1.91 -3.33 113.55 111.00 3fw0 h SER 767 Ca 0.06 -0.66 -0.07 0.00 -1.23 0.00 0.00 61.79 59.89 3fw0 h SER 767 Cb 0.27 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.18 3fw0 h SER 767 CO 0.01 0.77 -1.05 0.77 -0.53 0.00 0.00 176.83 176.81 3fw0 h SER 768 N -0.49 0.00 0.00 6.23 4.64 -1.96 -3.48 113.55 118.49 3fw0 h SER 768 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3fw0 h SER 768 Cb 0.77 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.86 3fw0 h SER 768 CO 0.02 0.27 0.00 0.61 -0.87 0.00 0.00 176.83 176.86 3fw0 n GLY 769 N 1.26 1.97 3.75 -0.77 0.00 0.44 -5.02 105.19 106.83 3fw0 n GLY 769 Ca -0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 3fw0 n GLY 769 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fw0 s GLU 770 N -0.24 4.58 0.03 1.61 0.41 -1.24 -4.72 118.70 119.12 3fw0 s GLU 770 Ca 0.00 1.82 -0.30 0.00 -0.41 0.00 0.00 54.97 56.08 3fw0 s GLU 770 Cb 0.00 -3.22 -0.07 0.00 -1.78 0.00 0.00 34.13 29.06 3fw0 s GLU 770 CO 0.00 0.08 1.59 0.42 -0.49 0.00 0.00 175.26 176.86 3fw0 s ILE 771 N -0.65 3.32 -0.10 -1.63 1.01 -1.26 -1.53 121.20 120.36 3fw0 s ILE 771 Ca 0.48 0.68 0.08 0.00 0.00 0.00 0.00 60.65 61.89 3fw0 s ILE 771 Cb -0.32 -3.44 -0.11 0.00 0.01 0.00 0.00 42.46 38.60 3fw0 s ILE 771 CO 0.39 -0.01 0.21 2.30 0.00 0.00 0.00 174.94 177.83 3fw0 n ILE 772 N 4.86 0.00 -3.68 2.92 -5.35 0.23 -4.95 119.36 113.39 3fw0 n ILE 772 Ca 0.15 -0.22 -0.13 0.00 -0.27 0.00 0.00 62.75 62.29 3fw0 n ILE 772 Cb 0.42 0.48 -0.07 0.00 -1.74 0.00 0.00 39.64 38.73 3fw0 n ILE 772 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 3fw0 s ASP 773 N -2.64 -0.27 -0.01 7.28 3.68 -1.14 -4.22 116.67 119.35 3fw0 s ASP 773 Ca -0.02 0.01 0.02 0.00 2.13 0.00 0.00 52.55 54.69 3fw0 s ASP 773 Cb 0.05 0.41 -0.00 0.00 -1.45 0.00 0.00 42.92 41.93 3fw0 s ASP 773 CO 0.33 -0.63 -0.07 0.54 0.13 0.00 0.00 175.17 175.47 3fw0 s VAL 774 N -2.32 0.58 0.14 1.11 0.11 -1.26 -0.73 120.40 118.03 3fw0 s VAL 774 Ca -0.06 -0.29 -0.11 0.00 -2.93 0.00 0.00 61.98 58.59 3fw0 s VAL 774 Cb -0.01 -0.51 0.01 0.00 -1.53 0.00 0.00 36.38 34.33 3fw0 s VAL 774 CO -0.01 0.18 0.31 0.72 -3.33 0.00 0.00 175.10 172.96 3fw0 s PHE 775 N -0.00 0.16 0.12 1.54 -0.12 -0.37 -4.85 117.98 114.47 3fw0 s PHE 775 Ca 0.00 -0.54 -0.17 0.00 -0.05 0.00 0.00 56.93 56.18 3fw0 s PHE 775 Cb -0.05 0.05 0.04 0.00 -0.63 0.00 0.00 43.02 42.43 3fw0 s PHE 775 CO -0.00 -0.69 0.43 -1.59 -0.05 0.00 0.00 175.22 173.31 3fw0 s LYS 776 N -3.90 1.09 0.66 1.99 -2.85 -1.26 -0.83 119.74 114.64 3fw0 s LYS 776 Ca 0.10 -0.66 -0.13 0.00 -1.00 0.00 0.00 55.97 54.28 3fw0 s LYS 776 Cb 0.03 0.48 -0.00 0.00 -2.06 0.00 0.00 37.83 36.28 3fw0 s LYS 776 CO -0.05 -0.43 1.08 -1.25 0.10 0.00 0.00 175.35 174.79 3fw0 s PRO 777 N -3.71 2.91 -0.08 1.78 0.04 -1.26 -4.71 135.00 129.97 3fw0 s PRO 777 Ca 0.02 1.19 -0.14 0.00 0.04 0.00 0.00 61.00 62.11 3fw0 s PRO 777 Cb 0.01 -1.98 -0.29 0.00 0.04 0.00 0.00 34.50 32.29 3fw0 s PRO 777 CO -0.12 -1.14 0.62 0.28 0.04 0.00 0.00 177.00 176.69 3fw0 h VAL 778 N -0.20 1.00 -3.30 -0.36 2.07 -2.00 -3.46 116.25 110.00 3fw0 h VAL 778 Ca -0.46 -2.46 -0.58 0.00 0.82 0.00 0.00 66.70 64.03 3fw0 h VAL 778 Cb 1.23 2.76 -0.07 0.00 -1.52 0.00 0.00 31.29 33.68 3fw0 h VAL 778 CO 0.55 0.78 -0.12 -0.13 0.02 0.00 0.00 177.57 178.67 3fw0 s ARG 779 N -2.52 4.31 3.73 1.57 0.52 -1.26 -4.92 118.95 120.37 3fw0 s ARG 779 Ca -0.18 0.50 0.00 0.00 -0.52 0.00 0.00 55.73 55.53 3fw0 s ARG 779 Cb 0.05 -3.41 0.00 0.00 0.52 0.00 0.00 34.95 32.11 3fw0 s ARG 779 CO 0.81 0.22 0.00 1.63 0.02 0.00 0.00 175.30 177.98 3fw0 n LYS 780 N 3.43 0.00 -3.62 3.54 5.02 -1.26 -4.93 118.16 120.33 3fw0 n LYS 780 Ca -0.07 0.00 -0.15 0.00 -2.02 0.00 0.00 58.31 56.07 3fw0 n LYS 780 Cb 0.52 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 35.46 3fw0 n LYS 780 CO 0.00 0.00 0.00 -3.38 -0.52 0.00 0.00 177.40 173.50 3fw0 s HIS 781 N 0.00 -0.41 0.38 2.13 -3.43 -1.26 -4.88 115.29 107.82 3fw0 s HIS 781 Ca 0.00 0.59 -0.27 0.00 -0.80 0.00 0.00 55.06 54.58 3fw0 s HIS 781 Cb 0.00 0.27 -0.09 0.00 -1.43 0.00 0.00 32.58 31.33 3fw0 s HIS 781 CO 0.00 -0.55 1.28 -0.06 -2.00 0.00 0.00 174.74 173.41 3fw0 s PHE 782 N -1.72 2.95 0.02 0.38 2.99 -1.26 -4.86 117.98 116.48 3fw0 s PHE 782 Ca -0.10 1.44 0.00 0.00 0.00 0.00 0.00 56.93 58.28 3fw0 s PHE 782 Cb -0.02 -3.62 0.00 0.00 0.00 0.00 0.00 43.02 39.38 3fw0 s PHE 782 CO 0.04 -1.85 0.00 -3.47 -0.00 0.00 0.00 175.22 169.93 3fw0 n ASP 783 N 0.38 0.02 -3.65 1.36 -0.08 -1.26 -4.95 116.55 108.37 3fw0 n ASP 783 Ca 0.02 0.03 -0.27 0.00 -1.51 0.00 0.00 54.79 53.06 3fw0 n ASP 783 Cb 0.43 0.01 -0.10 0.00 2.34 0.00 0.00 41.12 43.80 3fw0 n ASP 783 CO 0.00 0.00 0.00 0.80 0.12 0.00 0.00 177.20 178.12 3fw0 n MET 784 N -2.58 2.12 -1.71 -0.67 1.56 -1.26 -4.17 117.12 110.42 3fw0 n MET 784 Ca 0.00 -4.54 -0.43 0.00 -0.27 0.00 0.00 57.70 52.46 3fw0 n MET 784 Cb 0.00 -2.24 -0.03 0.00 2.15 0.00 0.00 33.22 33.10 3fw0 n MET 784 CO 0.00 0.00 0.00 -0.35 -0.73 0.00 0.00 175.97 174.89 3fw0 n PRO 785 N 1.43 2.60 0.00 2.12 -0.04 -1.26 -1.24 135.00 138.60 3fw0 n PRO 785 Ca 0.25 0.93 0.00 0.00 -0.04 0.00 0.00 63.50 64.64 3fw0 n PRO 785 Cb 0.38 -2.74 0.00 0.00 -0.04 0.00 0.00 33.50 31.10 3fw0 n PRO 785 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 3fw0 n HIS 786 N 3.41 0.00 -3.69 0.54 -0.00 0.22 -4.82 115.22 110.88 3fw0 n HIS 786 Ca 0.15 0.00 -0.13 0.00 0.46 0.00 0.00 57.72 58.20 3fw0 n HIS 786 Cb 0.34 0.00 -0.07 0.00 -0.12 0.00 0.00 29.99 30.14 3fw0 n HIS 786 CO 0.00 0.00 0.00 0.34 0.46 0.00 0.00 176.34 177.14 3fw0 s ASP 787 N -1.95 -0.26 -0.03 0.26 3.68 -1.16 -4.54 116.67 112.67 3fw0 s ASP 787 Ca 0.00 0.01 -0.02 0.00 2.13 0.00 0.00 52.55 54.67 3fw0 s ASP 787 Cb 0.00 0.40 0.01 0.00 -1.45 0.00 0.00 42.92 41.88 3fw0 s ASP 787 CO 0.00 -0.62 0.07 -0.51 0.13 0.00 0.00 175.17 174.24 3fw0 s ILE 788 N -2.28 -0.00 0.02 4.11 2.07 -1.26 -1.78 121.20 122.08 3fw0 s ILE 788 Ca -0.07 0.01 0.02 0.00 -1.41 0.00 0.00 60.65 59.21 3fw0 s ILE 788 Cb -0.01 -0.11 -0.01 0.00 0.13 0.00 0.00 42.46 42.45 3fw0 s ILE 788 CO -0.01 0.01 -0.06 -0.69 -1.91 0.00 0.00 174.94 172.27 3fw0 s VAL 789 N 0.12 0.44 0.08 4.00 1.01 -0.48 -4.45 120.40 121.12 3fw0 s VAL 789 Ca -0.01 -0.68 0.06 0.00 0.00 0.00 0.00 61.98 61.36 3fw0 s VAL 789 Cb -0.01 -0.46 -0.03 0.00 0.00 0.00 0.00 36.38 35.88 3fw0 s VAL 789 CO -0.00 -0.17 -0.17 0.00 0.00 0.00 0.00 175.10 174.76 3fw0 s ALA 790 N -0.81 1.45 0.20 5.51 0.00 -1.26 -0.64 121.76 126.21 3fw0 s ALA 790 Ca -0.05 -1.11 0.08 0.00 0.00 0.00 0.00 51.96 50.89 3fw0 s ALA 790 Cb -0.06 -0.17 -0.04 0.00 0.00 0.00 0.00 23.12 22.85 3fw0 s ALA 790 CO 0.00 0.25 -0.01 0.45 0.00 0.00 0.00 175.76 176.46 3fw0 s SER 791 N -1.80 4.67 0.59 0.00 0.15 0.90 -4.83 113.70 113.38 3fw0 s SER 791 Ca 0.02 -0.48 0.34 0.00 0.70 0.00 0.00 55.95 56.53 3fw0 s SER 791 Cb -0.10 -0.95 1.82 0.00 -1.71 0.00 0.00 66.02 65.08 3fw0 s SER 791 CO 0.03 0.06 2.19 -0.33 1.20 0.00 0.00 173.24 176.39 3fw0 h GLU 792 N 2.46 0.00 0.00 5.44 5.08 -1.96 -1.42 114.58 124.17 3fw0 h GLU 792 Ca -0.46 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.90 3fw0 h GLU 792 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 3fw0 h GLU 792 CO 0.58 0.04 0.00 -0.40 -1.00 0.00 0.00 179.01 178.23 3fw0 n ASP 793 N -3.41 0.00 0.00 1.42 5.75 -1.26 -4.87 116.55 114.18 3fw0 n ASP 793 Ca -0.02 0.25 0.00 0.00 -0.01 0.00 0.00 54.79 55.01 3fw0 n ASP 793 Cb 0.17 -0.40 0.00 0.00 -1.03 0.00 0.00 41.12 39.86 3fw0 n ASP 793 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3fw0 n GLY 794 N 0.70 1.03 3.81 6.12 0.00 -0.54 -4.94 105.19 111.36 3fw0 n GLY 794 Ca 0.08 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.72 3fw0 n GLY 794 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3fw0 s THR 795 N -2.00 4.93 -0.05 2.61 2.01 -1.24 0.21 115.64 122.11 3fw0 s THR 795 Ca 0.00 1.03 0.04 0.00 0.31 0.00 0.00 61.69 63.06 3fw0 s THR 795 Cb 0.00 -3.81 0.00 0.00 0.01 0.00 0.00 72.50 68.70 3fw0 s THR 795 CO 0.00 0.53 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.60 3fw0 s VAL 796 N -0.80 1.38 -0.02 3.82 1.01 0.36 -0.07 120.40 126.08 3fw0 s VAL 796 Ca 0.26 -0.67 0.07 0.00 0.00 0.00 0.00 61.98 61.65 3fw0 s VAL 796 Cb -0.18 -1.20 -0.02 0.00 0.00 0.00 0.00 36.38 34.98 3fw0 s VAL 796 CO 0.15 0.40 -0.23 -0.31 0.00 0.00 0.00 175.10 175.12 3fw0 s TYR 797 N 0.22 2.44 -0.03 5.22 1.51 0.18 0.30 117.35 127.20 3fw0 s TYR 797 Ca -0.08 -0.36 0.03 0.00 -1.01 0.00 0.00 57.07 55.65 3fw0 s TYR 797 Cb -0.13 -1.52 0.00 0.00 -0.11 0.00 0.00 41.96 40.21 3fw0 s TYR 797 CO 0.03 0.05 -0.10 0.42 -1.11 0.00 0.00 175.55 174.85 3fw0 s ILE 798 N -0.68 0.84 -0.03 2.71 1.01 -0.48 -1.38 121.20 123.18 3fw0 s ILE 798 Ca 0.11 -0.39 0.04 0.00 0.00 0.00 0.00 60.65 60.41 3fw0 s ILE 798 Cb -0.10 -0.74 -0.03 0.00 0.01 0.00 0.00 42.46 41.60 3fw0 s ILE 798 CO 0.00 0.26 -0.13 -0.83 0.00 0.00 0.00 174.94 174.24 3fw0 s GLY 799 N 0.19 1.59 -0.11 6.18 0.00 -0.73 -0.58 107.32 113.86 3fw0 s GLY 799 Ca -0.03 -1.00 -0.00 0.00 0.00 0.00 0.00 44.72 43.68 3fw0 s GLY 799 CO 0.01 -0.82 -0.09 -0.35 0.00 0.00 0.00 173.10 171.85 3fw0 s ASP 800 N -0.94 4.44 0.04 1.64 -1.08 -0.22 0.70 116.67 121.26 3fw0 s ASP 800 Ca 0.13 -0.16 0.24 0.00 -0.52 0.00 0.00 52.55 52.24 3fw0 s ASP 800 Cb -0.11 -1.44 0.40 0.00 -1.46 0.00 0.00 42.92 40.32 3fw0 s ASP 800 CO 0.02 0.25 1.34 0.00 0.52 0.00 0.00 175.17 177.30 3fw0 n ALA 801 N 2.99 3.34 -0.08 3.66 0.00 -0.37 -2.48 120.51 127.57 3fw0 n ALA 801 Ca -0.18 -0.33 -0.09 0.00 0.00 0.00 0.00 53.44 52.84 3fw0 n ALA 801 Cb 0.53 -1.12 -0.10 0.00 0.00 0.00 0.00 19.45 18.76 3fw0 n ALA 801 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3fw0 n HIS 802 N -1.74 0.00 0.02 0.00 8.25 -1.26 -4.55 115.22 115.94 3fw0 n HIS 802 Ca 0.04 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.62 3fw0 n HIS 802 Cb 0.38 -0.71 0.27 0.00 1.12 0.00 0.00 29.99 31.06 3fw0 n HIS 802 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 3fw0 n THR 803 N -2.74 0.74 -4.01 1.59 -2.24 -1.26 -4.98 114.28 101.38 3fw0 n THR 803 Ca -0.27 -0.85 -0.26 0.00 -2.27 0.00 0.00 64.05 60.40 3fw0 n THR 803 Cb 0.92 0.70 -0.03 0.00 -2.10 0.00 0.00 70.33 69.82 3fw0 n THR 803 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3fw0 n ASN 804 N 1.52 -0.28 -4.02 3.42 4.13 -1.10 -4.93 115.26 114.00 3fw0 n ASN 804 Ca 0.22 -1.04 -0.11 0.00 1.68 0.00 0.00 54.58 55.33 3fw0 n ASN 804 Cb 0.60 -2.86 -0.11 0.00 -1.54 0.00 0.00 39.78 35.86 3fw0 n ASN 804 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 3fw0 s THR 805 N -3.98 0.31 -0.01 3.41 2.01 -1.24 -4.18 115.64 111.95 3fw0 s THR 805 Ca 0.04 -0.98 0.06 0.00 0.31 0.00 0.00 61.69 61.11 3fw0 s THR 805 Cb -0.02 -0.42 -0.02 0.00 0.01 0.00 0.00 72.50 72.06 3fw0 s THR 805 CO 0.90 -0.44 -0.19 0.54 -0.69 0.00 0.00 174.62 174.74 3fw0 s VAL 806 N -1.41 1.54 0.07 3.82 0.11 -1.26 -1.05 120.40 122.21 3fw0 s VAL 806 Ca -0.13 -0.85 0.08 0.00 -2.93 0.00 0.00 61.98 58.15 3fw0 s VAL 806 Cb -0.10 -1.28 -0.03 0.00 -1.53 0.00 0.00 36.38 33.44 3fw0 s VAL 806 CO -0.00 0.42 -0.21 0.26 -3.33 0.00 0.00 175.10 172.23 3fw0 s TRP 807 N -0.47 1.85 -0.15 1.54 0.51 0.25 -3.80 118.94 118.66 3fw0 s TRP 807 Ca 0.07 -0.39 -0.05 0.00 -2.12 0.00 0.00 56.10 53.61 3fw0 s TRP 807 Cb -0.08 -1.07 -0.03 0.00 -0.81 0.00 0.00 33.47 31.48 3fw0 s TRP 807 CO -0.01 0.14 0.02 0.21 -0.51 0.00 0.00 176.95 176.80 3fw0 s LYS 808 N -1.47 3.65 0.22 4.98 2.20 -1.26 -1.39 119.74 126.67 3fw0 s LYS 808 Ca 0.08 -0.41 0.08 0.00 -0.36 0.00 0.00 55.97 55.35 3fw0 s LYS 808 Cb -0.09 -3.02 -0.05 0.00 -1.51 0.00 0.00 37.83 33.16 3fw0 s LYS 808 CO 0.03 0.37 -0.14 -0.06 -0.36 0.00 0.00 175.35 175.18 3fw0 s PHE 809 N 0.06 1.78 -0.04 4.03 0.40 0.15 -0.86 117.98 123.50 3fw0 s PHE 809 Ca 0.03 -0.56 0.04 0.00 -0.60 0.00 0.00 56.93 55.84 3fw0 s PHE 809 Cb -0.13 -0.84 -0.00 0.00 0.51 0.00 0.00 43.02 42.56 3fw0 s PHE 809 CO 0.02 0.38 -0.16 0.95 0.70 0.00 0.00 175.22 177.11 3fw0 s THR 810 N -2.94 1.37 0.30 0.64 -4.23 0.26 -0.49 115.64 110.55 3fw0 s THR 810 Ca 0.24 -0.69 -0.26 0.00 -1.18 0.00 0.00 61.69 59.80 3fw0 s THR 810 Cb -0.01 -1.17 -0.10 0.00 1.34 0.00 0.00 72.50 72.56 3fw0 s THR 810 CO 0.08 0.40 0.92 -0.22 -0.54 0.00 0.00 174.62 175.26 3fw0 s LEU 811 N 0.00 4.40 -0.12 4.79 1.98 0.13 -1.97 118.68 127.90 3fw0 s LEU 811 Ca -0.03 1.82 -0.26 0.00 -2.89 0.00 0.00 54.13 52.77 3fw0 s LEU 811 Cb -0.11 -3.89 0.06 0.00 0.66 0.00 0.00 46.19 42.92 3fw0 s LEU 811 CO 0.02 -0.01 0.63 -0.89 -1.89 0.00 0.00 176.35 174.21 3fw0 s THR 812 N -1.52 0.01 -0.24 3.68 2.01 -0.20 -4.89 115.64 114.49 3fw0 s THR 812 Ca 0.48 -0.05 0.02 0.00 0.31 0.00 0.00 61.69 62.44 3fw0 s THR 812 Cb -0.20 -0.93 0.04 0.00 0.01 0.00 0.00 72.50 71.43 3fw0 s THR 812 CO 0.25 -0.03 -0.13 -0.70 -0.69 0.00 0.00 174.62 173.32 3fw0 s GLU 813 N -0.65 2.53 -0.01 4.92 2.12 -1.26 0.07 118.70 126.42 3fw0 s GLU 813 Ca -0.07 -1.15 0.03 0.00 0.36 0.00 0.00 54.97 54.13 3fw0 s GLU 813 Cb -0.02 -2.81 -0.03 0.00 0.26 0.00 0.00 34.13 31.52 3fw0 s GLU 813 CO 0.06 -0.45 -0.08 0.15 -0.54 0.00 0.00 175.26 174.40 3fw0 s LYS 814 N 1.19 2.56 0.47 4.30 1.02 -0.68 -4.99 119.74 123.60 3fw0 s LYS 814 Ca -0.04 -0.70 0.21 0.00 0.02 0.00 0.00 55.97 55.47 3fw0 s LYS 814 Cb -0.18 -2.49 1.23 0.00 -0.52 0.00 0.00 37.83 35.87 3fw0 s LYS 814 CO -0.07 0.61 1.93 0.00 -0.92 0.00 0.00 175.35 176.90 3fw0 h MET 815 N 4.74 0.22 -2.63 1.68 -0.00 -2.00 -3.35 114.93 113.59 3fw0 h MET 815 Ca -0.48 -0.01 -0.39 0.00 -0.00 0.00 0.00 59.70 58.81 3fw0 h MET 815 Cb 1.17 -0.05 -0.37 0.00 -0.00 0.00 0.00 31.60 32.34 3fw0 h MET 815 CO 0.53 0.14 -0.69 -1.21 -0.00 0.00 0.00 176.91 175.68 3fw0 s GLU 816 N -5.22 0.18 0.09 -0.10 2.02 -1.26 -5.02 118.70 109.39 3fw0 s GLU 816 Ca -0.07 -0.06 -0.36 0.00 0.02 0.00 0.00 54.97 54.50 3fw0 s GLU 816 Cb 0.21 -1.25 -0.18 0.00 0.10 0.00 0.00 34.13 33.01 3fw0 s GLU 816 CO 0.76 -0.79 1.14 0.72 0.02 0.00 0.00 175.26 177.10 3fw0 n HIS 817 N 5.30 1.00 -1.53 1.61 8.25 -1.26 -4.60 115.22 123.98 3fw0 n HIS 817 Ca -0.05 0.82 -0.62 0.00 -0.26 0.00 0.00 57.72 57.61 3fw0 n HIS 817 Cb 0.47 -2.21 -0.10 0.00 1.12 0.00 0.00 29.99 29.28 3fw0 n HIS 817 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 3fw0 n ARG 818 N 1.86 0.28 -0.94 -0.41 0.63 -1.26 0.19 116.66 117.01 3fw0 n ARG 818 Ca 0.18 0.09 0.00 0.00 -0.92 0.00 0.00 57.85 57.20 3fw0 n ARG 818 Cb 0.17 -1.69 0.00 0.00 0.45 0.00 0.00 32.46 31.39 3fw0 n ARG 818 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 3fw0 n SER 819 N 6.08 -2.31 0.00 6.15 7.64 -1.26 -5.23 113.62 124.69 3fw0 n SER 819 Ca 0.40 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.28 3fw0 n SER 819 Cb 0.00 -1.12 0.00 0.00 -1.01 0.00 0.00 64.21 62.08 3fw0 n SER 819 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55