#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1shy s VAL 496 N 0.00 4.86 -1.33 2.52 1.01 0.34 -3.99 120.40 123.82 1shy s VAL 496 Ca 0.00 1.40 -0.04 0.00 0.00 0.00 0.00 61.98 63.35 1shy s VAL 496 Cb 0.00 -4.01 0.02 0.00 0.00 0.00 0.00 36.38 32.39 1shy s VAL 496 CO 0.00 0.38 0.90 0.59 0.00 0.00 0.00 175.10 176.97 1shy n ASN 497 N 2.89 -2.77 -4.43 3.32 3.02 -1.26 -1.01 115.26 115.02 1shy n ASN 497 Ca -0.05 -0.72 -0.29 0.00 -0.03 0.00 0.00 54.58 53.49 1shy n ASN 497 Cb 0.51 -4.45 -0.08 0.00 -0.61 0.00 0.00 39.78 35.15 1shy n ASN 497 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1shy s GLY 498 N -4.03 2.82 0.31 7.41 0.00 -1.26 -4.68 107.32 107.89 1shy s GLY 498 Ca 0.20 -0.83 0.09 0.00 0.00 0.00 0.00 44.72 44.18 1shy s GLY 498 CO 0.78 -2.01 0.04 -0.26 0.00 0.00 0.00 173.10 171.65 1shy s ILE 499 N -3.04 3.05 0.37 0.90 -4.36 -0.69 -4.83 121.20 112.61 1shy s ILE 499 Ca 0.15 -1.87 -0.28 0.00 -0.26 0.00 0.00 60.65 58.39 1shy s ILE 499 Cb 0.02 -2.86 -0.11 0.00 1.25 0.00 0.00 42.46 40.76 1shy s ILE 499 CO 0.09 -0.26 1.40 -2.65 0.24 0.00 0.00 174.94 173.76 1shy n PRO 500 N -0.99 2.42 -2.65 0.37 -0.02 -1.26 -0.36 135.00 132.51 1shy n PRO 500 Ca -0.05 0.85 -0.40 0.00 -2.02 0.00 0.00 63.50 61.88 1shy n PRO 500 Cb 0.61 -2.53 -0.05 0.00 -0.02 0.00 0.00 33.50 31.51 1shy n PRO 500 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1shy s THR 501 N -1.11 3.88 0.23 3.45 -4.23 0.17 -4.78 115.64 113.24 1shy s THR 501 Ca 0.55 1.88 -0.09 0.00 -1.18 0.00 0.00 61.69 62.85 1shy s THR 501 Cb -0.51 -4.20 0.25 0.00 1.34 0.00 0.00 72.50 69.38 1shy s THR 501 CO 0.63 0.45 1.64 0.03 -0.54 0.00 0.00 174.62 176.83 1shy h ARG 502 N 4.07 0.09 0.00 3.99 3.08 -1.93 -3.45 114.38 120.23 1shy h ARG 502 Ca -0.46 -0.01 -0.10 0.00 0.07 0.00 0.00 59.98 59.49 1shy h ARG 502 Cb 1.20 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 31.21 1shy h ARG 502 CO 0.68 0.06 -0.08 -2.37 -1.07 0.00 0.00 179.97 177.18 1shy n THR 503 N -5.34 0.00 -1.82 2.04 5.66 -1.26 -5.16 114.28 108.39 1shy n THR 503 Ca 0.12 -0.55 -0.29 0.00 -3.05 0.00 0.00 64.05 60.27 1shy n THR 503 Cb 0.42 0.30 0.15 0.00 -1.55 0.00 0.00 70.33 69.65 1shy n THR 503 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1shy s ASN 504 N -1.58 3.59 -0.06 1.09 2.20 -1.26 -4.99 114.94 113.93 1shy s ASN 504 Ca 0.09 0.57 0.02 0.00 -0.94 0.00 0.00 52.86 52.60 1shy s ASN 504 Cb 0.00 -0.87 0.02 0.00 -2.00 0.00 0.00 41.25 38.40 1shy s ASN 504 CO 0.06 -2.47 -0.09 -0.63 -2.94 0.00 0.00 177.10 171.03 1shy s ILE 505 N -3.64 0.92 0.32 0.54 -1.09 -1.26 -5.07 121.20 111.92 1shy s ILE 505 Ca 0.68 -0.35 0.05 0.00 -2.23 0.00 0.00 60.65 58.79 1shy s ILE 505 Cb -0.08 -0.87 0.12 0.00 -1.58 0.00 0.00 42.46 40.05 1shy s ILE 505 CO 0.52 0.31 1.82 1.23 -1.23 0.00 0.00 174.94 177.59 1shy h GLY 506 N 7.04 0.49 0.98 6.18 0.00 -1.85 -2.41 103.07 113.50 1shy h GLY 506 Ca -0.33 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 46.66 1shy h GLY 506 CO 0.47 0.31 -0.68 -2.67 0.00 0.00 0.00 176.54 173.98 1shy n TRP 507 N -4.22 0.31 -2.13 5.60 4.27 -1.07 -1.30 117.44 118.90 1shy n TRP 507 Ca 0.00 0.09 -0.42 0.00 -3.89 0.00 0.00 57.50 53.28 1shy n TRP 507 Cb 0.31 -0.48 -0.03 0.00 -1.36 0.00 0.00 31.31 29.75 1shy n TRP 507 CO 0.00 0.00 0.00 -1.64 -2.29 0.00 0.00 177.69 173.76 1shy s MET 508 N -3.12 4.29 -0.07 -2.67 -1.94 -0.91 -0.48 119.30 114.41 1shy s MET 508 Ca 0.07 2.12 0.02 0.00 -1.71 0.00 0.00 55.69 56.19 1shy s MET 508 Cb 0.15 -3.29 0.01 0.00 2.01 0.00 0.00 34.83 33.71 1shy s MET 508 CO 0.73 -0.49 -0.13 0.08 -0.01 0.00 0.00 175.02 175.20 1shy s VAL 509 N 1.33 1.19 -0.25 -6.03 1.01 0.39 -4.16 120.40 113.88 1shy s VAL 509 Ca 0.66 -0.51 -0.11 0.00 0.00 0.00 0.00 61.98 62.01 1shy s VAL 509 Cb -0.37 -1.08 -0.05 0.00 0.00 0.00 0.00 36.38 34.88 1shy s VAL 509 CO 0.30 0.37 0.20 -0.55 0.00 0.00 0.00 175.10 175.42 1shy s SER 510 N 0.63 6.13 -0.03 3.32 0.15 -1.01 -0.85 113.70 122.04 1shy s SER 510 Ca -0.15 0.13 -0.21 0.00 0.70 0.00 0.00 55.95 56.42 1shy s SER 510 Cb -0.16 -2.13 -0.05 0.00 -1.71 0.00 0.00 66.02 61.98 1shy s SER 510 CO 0.04 0.01 0.61 -0.22 1.20 0.00 0.00 173.24 174.89 1shy s LEU 511 N 1.30 4.38 -0.16 3.45 0.20 0.21 -1.77 118.68 126.29 1shy s LEU 511 Ca 0.09 1.14 0.00 0.00 0.69 0.00 0.00 54.13 56.05 1shy s LEU 511 Cb -0.14 -2.95 0.03 0.00 -0.43 0.00 0.00 46.19 42.70 1shy s LEU 511 CO 0.07 0.03 -0.10 -0.13 -0.29 0.00 0.00 176.35 175.93 1shy s ARG 512 N 0.15 1.93 -0.05 1.98 1.81 0.06 -1.43 118.95 123.40 1shy s ARG 512 Ca 0.32 -0.60 -0.13 0.00 -1.72 0.00 0.00 55.73 53.59 1shy s ARG 512 Cb -0.18 -2.12 -0.05 0.00 -0.45 0.00 0.00 34.95 32.15 1shy s ARG 512 CO 0.17 -0.34 0.35 -0.47 -0.68 0.00 0.00 175.30 174.32 1shy s TYR 513 N 1.52 3.65 -1.13 -0.53 5.04 -1.06 -1.74 117.35 123.09 1shy s TYR 513 Ca 0.02 0.85 -0.04 0.00 -2.44 0.00 0.00 57.07 55.45 1shy s TYR 513 Cb -0.14 -2.25 0.01 0.00 0.35 0.00 0.00 41.96 39.92 1shy s TYR 513 CO -0.09 0.57 0.08 0.54 -1.34 0.00 0.00 175.55 175.32 1shy n ARG 514 N 2.22 -0.86 0.00 4.97 1.74 0.01 -2.47 116.66 122.26 1shy n ARG 514 Ca -0.14 0.04 0.00 0.00 -0.77 0.00 0.00 57.85 56.98 1shy n ARG 514 Cb 0.53 -2.53 0.00 0.00 -1.02 0.00 0.00 32.46 29.44 1shy n ARG 514 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1shy n ASN 515 N -1.99 0.00 -4.94 0.55 3.02 -1.26 -4.98 115.26 105.65 1shy n ASN 515 Ca -0.22 0.00 -0.25 0.00 -0.03 0.00 0.00 54.58 54.07 1shy n ASN 515 Cb 0.51 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.66 1shy n ASN 515 CO 0.00 0.00 0.00 -1.59 -2.62 0.00 0.00 177.26 173.05 1shy s LYS 516 N -0.01 3.49 0.35 3.52 -2.85 -1.03 -5.04 119.74 118.17 1shy s LYS 516 Ca 0.00 -0.45 -0.26 0.00 -1.00 0.00 0.00 55.97 54.27 1shy s LYS 516 Cb 0.00 -2.83 -0.09 0.00 -2.06 0.00 0.00 37.83 32.85 1shy s LYS 516 CO 0.00 0.37 1.02 -1.58 0.10 0.00 0.00 175.35 175.26 1shy s HIS 517 N -1.96 3.46 0.00 1.78 5.65 -1.26 -2.56 115.29 120.39 1shy s HIS 517 Ca 0.37 1.70 0.00 0.00 0.25 0.00 0.00 55.06 57.38 1shy s HIS 517 Cb -0.10 -3.09 0.00 0.00 -1.18 0.00 0.00 32.58 28.21 1shy s HIS 517 CO 0.30 -0.34 0.00 1.51 -0.65 0.00 0.00 174.74 175.56 1shy n ILE 518 N 0.34 0.00 -3.60 0.89 3.06 -0.51 -4.91 119.36 114.63 1shy n ILE 518 Ca 0.03 -0.04 -0.06 0.00 -2.50 0.00 0.00 62.75 60.17 1shy n ILE 518 Cb 0.49 0.39 -0.04 0.00 0.54 0.00 0.00 39.64 41.02 1shy n ILE 518 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1shy s GLY 520 N -1.38 1.82 -0.27 0.00 0.00 0.52 -0.62 107.32 107.39 1shy s GLY 520 Ca 0.04 -1.62 -0.26 0.00 0.00 0.00 0.00 44.72 42.89 1shy s GLY 520 CO -0.03 -1.26 1.03 -0.32 0.00 0.00 0.00 173.10 172.52 1shy s GLY 521 N -4.53 -0.16 -0.22 0.20 0.00 -0.03 -3.53 107.32 99.04 1shy s GLY 521 Ca 0.60 2.60 -0.09 0.00 0.00 0.00 0.00 44.72 47.83 1shy s GLY 521 CO 0.39 1.75 0.12 -0.56 0.00 0.00 0.00 173.10 174.80 1shy s SER 522 N 0.08 5.86 -0.37 1.64 0.01 -0.62 -0.47 113.70 119.83 1shy s SER 522 Ca 0.03 0.06 -0.28 0.00 1.31 0.00 0.00 55.95 57.07 1shy s SER 522 Cb -0.04 -2.04 0.02 0.00 0.21 0.00 0.00 66.02 64.16 1shy s SER 522 CO -0.05 0.08 1.06 -0.22 0.41 0.00 0.00 173.24 174.52 1shy s LEU 523 N 0.93 3.87 -0.04 2.44 2.96 0.37 0.02 118.68 129.23 1shy s LEU 523 Ca 0.06 0.78 0.14 0.00 -0.22 0.00 0.00 54.13 54.89 1shy s LEU 523 Cb -0.13 -3.48 -0.21 0.00 0.50 0.00 0.00 46.19 42.87 1shy s LEU 523 CO 0.03 -0.98 0.27 2.30 -1.32 0.00 0.00 176.35 176.65 1shy n ILE 524 N 6.16 0.16 -3.71 6.68 -5.35 -0.06 -0.46 119.36 122.78 1shy n ILE 524 Ca 0.11 -0.37 -0.10 0.00 -0.27 0.00 0.00 62.75 62.12 1shy n ILE 524 Cb 0.48 0.03 -0.04 0.00 -1.74 0.00 0.00 39.64 38.36 1shy n ILE 524 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 1shy s LYS 525 N -2.87 1.25 0.56 6.28 1.02 -1.17 -4.64 119.74 120.16 1shy s LYS 525 Ca -0.05 -0.82 0.46 0.00 0.02 0.00 0.00 55.97 55.58 1shy s LYS 525 Cb 0.08 0.49 1.64 0.00 -0.52 0.00 0.00 37.83 39.53 1shy s LYS 525 CO 0.58 -0.51 1.59 0.93 -0.92 0.00 0.00 175.35 177.02 1shy h GLU 526 N 2.28 0.00 0.00 1.68 3.07 -1.94 0.26 114.58 119.93 1shy h GLU 526 Ca -0.31 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.55 1shy h GLU 526 Cb 1.26 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.17 1shy h GLU 526 CO 0.42 0.00 -0.01 0.43 -1.40 0.00 0.00 179.01 178.45 1shy n SER 527 N -3.91 2.01 -3.73 1.42 7.64 -1.26 0.17 113.62 115.96 1shy n SER 527 Ca 0.40 -2.34 -0.21 0.00 1.01 0.00 0.00 58.87 57.72 1shy n SER 527 Cb 1.85 -0.15 -0.18 0.00 -1.01 0.00 0.00 64.21 64.72 1shy n SER 527 CO 0.00 0.00 0.00 0.26 -3.01 0.00 0.00 175.04 172.29 1shy s TRP 528 N -1.59 0.39 -0.23 1.43 0.52 0.90 -2.15 118.94 118.20 1shy s TRP 528 Ca 0.11 0.03 -0.06 0.00 0.02 0.00 0.00 56.10 56.20 1shy s TRP 528 Cb 0.10 -0.65 -0.03 0.00 -1.15 0.00 0.00 33.47 31.74 1shy s TRP 528 CO 0.01 -0.26 0.04 0.08 0.02 0.00 0.00 176.95 176.84 1shy s VAL 529 N 2.03 4.16 -0.04 4.03 1.01 -0.23 -0.88 120.40 130.47 1shy s VAL 529 Ca 0.05 -0.23 -0.27 0.00 0.00 0.00 0.00 61.98 61.52 1shy s VAL 529 Cb -0.12 -2.92 -0.03 0.00 0.00 0.00 0.00 36.38 33.31 1shy s VAL 529 CO -0.04 0.38 0.87 -0.22 0.00 0.00 0.00 175.10 176.08 1shy s LEU 530 N 1.38 4.33 0.00 3.92 2.96 0.10 -0.97 118.68 130.39 1shy s LEU 530 Ca 0.05 1.44 -0.05 0.00 -0.22 0.00 0.00 54.13 55.35 1shy s LEU 530 Cb -0.15 -3.36 0.02 0.00 0.50 0.00 0.00 46.19 43.20 1shy s LEU 530 CO 0.02 -0.23 0.50 1.07 -1.32 0.00 0.00 176.35 176.40 1shy n THR 531 N 3.95 0.00 -3.58 3.68 5.66 -0.60 -1.59 114.28 121.80 1shy n THR 531 Ca 0.03 -1.27 -0.24 0.00 -3.05 0.00 0.00 64.05 59.52 1shy n THR 531 Cb 0.51 0.89 -0.02 0.00 -1.55 0.00 0.00 70.33 70.16 1shy n THR 531 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1shy s ALA 532 N -2.35 3.77 0.10 1.79 0.00 -1.26 -0.61 121.76 123.20 1shy s ALA 532 Ca 0.21 -0.94 -0.05 0.00 0.00 0.00 0.00 51.96 51.18 1shy s ALA 532 Cb -0.02 -2.01 -0.21 0.00 0.00 0.00 0.00 23.12 20.88 1shy s ALA 532 CO 0.15 0.16 1.20 0.07 0.00 0.00 0.00 175.76 177.34 1shy h ARG 533 N 1.19 0.35 0.00 0.00 0.11 -0.64 -2.80 114.38 112.58 1shy h ARG 533 Ca -0.50 -0.49 0.00 0.00 0.10 0.00 0.00 59.98 59.10 1shy h ARG 533 Cb 1.21 0.16 0.00 0.00 1.11 0.00 0.00 29.97 32.46 1shy h ARG 533 CO 0.63 1.19 0.00 1.04 0.10 0.00 0.00 179.97 182.93 1shy n GLN 534 N -3.63 0.00 -0.05 0.08 3.00 -1.26 -2.45 117.38 113.06 1shy n GLN 534 Ca -0.08 0.00 0.12 0.00 -0.01 0.00 0.00 57.00 57.02 1shy n GLN 534 Cb 0.95 -1.07 0.13 0.00 0.00 0.00 0.00 30.24 30.25 1shy n GLN 534 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1shy s PHE 536 N -1.82 2.24 0.11 0.00 0.08 -1.03 -4.95 117.98 112.61 1shy s PHE 536 Ca 0.31 -2.60 -0.14 0.00 0.12 0.00 0.00 56.93 54.61 1shy s PHE 536 Cb 0.20 -2.05 -0.06 0.00 -0.57 0.00 0.00 43.02 40.54 1shy s PHE 536 CO 0.30 -0.76 1.46 -1.35 -0.10 0.00 0.00 175.22 174.77 1shy h PRO 537 N 6.57 0.73 -7.21 0.24 0.11 -1.89 -3.44 132.00 127.10 1shy h PRO 537 Ca -0.00 -0.34 -0.50 0.00 0.11 0.00 0.00 66.00 65.27 1shy h PRO 537 Cb 0.91 -0.01 0.05 0.00 0.11 0.00 0.00 31.00 32.06 1shy h PRO 537 CO 0.53 0.95 0.30 0.45 -0.21 0.00 0.00 178.00 180.02 1shy s SER 538 N -6.48 6.17 -0.11 -2.05 0.15 -1.26 -4.99 113.70 105.13 1shy s SER 538 Ca -0.12 1.21 0.20 0.00 0.70 0.00 0.00 55.95 57.93 1shy s SER 538 Cb 0.09 -2.33 -0.28 0.00 -1.71 0.00 0.00 66.02 61.79 1shy s SER 538 CO 0.82 -0.81 0.30 -1.14 1.20 0.00 0.00 173.24 173.62 1shy n ARG 539 N -2.59 0.67 -2.25 5.44 3.00 -1.26 -4.92 116.66 114.74 1shy n ARG 539 Ca 0.04 -0.08 -0.43 0.00 -0.00 0.00 0.00 57.85 57.38 1shy n ARG 539 Cb 0.55 -1.54 -0.02 0.00 0.00 0.00 0.00 32.46 31.45 1shy n ARG 539 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 1shy s ASP 540 N -5.08 6.35 0.00 6.15 2.15 -1.26 -4.88 116.67 120.11 1shy s ASP 540 Ca -0.09 1.18 0.26 0.00 0.43 0.00 0.00 52.55 54.33 1shy s ASP 540 Cb 0.10 -2.54 1.51 0.00 -0.30 0.00 0.00 42.92 41.70 1shy s ASP 540 CO 0.86 -1.35 1.90 0.18 -0.17 0.00 0.00 175.17 176.59 1shy n LEU 541 N 8.68 0.00 -0.15 -1.34 4.77 -1.26 -2.62 117.00 125.08 1shy n LEU 541 Ca 0.18 0.04 -0.06 0.00 -0.03 0.00 0.00 56.01 56.14 1shy n LEU 541 Cb 0.47 -0.04 0.03 0.00 -2.33 0.00 0.00 43.42 41.55 1shy n LEU 541 CO 0.67 -0.01 1.02 0.11 -1.33 0.00 0.00 177.39 177.85 1shy h LYS 542 N 0.00 0.47 0.00 3.23 1.57 -1.89 -3.12 116.57 116.83 1shy h LYS 542 Ca 0.00 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1shy h LYS 542 Cb 0.03 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.23 1shy h LYS 542 CO 0.00 0.31 0.00 -0.44 -0.57 0.00 0.00 179.45 178.75 1shy h ASP 543 N 0.49 0.00 -1.45 0.86 3.32 -1.90 -3.44 116.42 114.29 1shy h ASP 543 Ca 0.19 0.00 -0.45 0.00 0.02 0.00 0.00 57.03 56.79 1shy h ASP 543 Cb 0.07 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.62 1shy h ASP 543 CO -0.12 0.00 -0.30 -0.31 -1.72 0.00 0.00 179.24 176.79 1shy s TYR 544 N -3.59 2.74 -0.29 4.55 2.02 -1.18 -0.81 117.35 120.79 1shy s TYR 544 Ca -0.01 -0.44 -0.23 0.00 -0.37 0.00 0.00 57.07 56.02 1shy s TYR 544 Cb 0.08 -2.30 0.14 0.00 -0.40 0.00 0.00 41.96 39.48 1shy s TYR 544 CO 0.32 -0.32 1.08 -2.00 -1.57 0.00 0.00 175.55 173.05 1shy s GLU 545 N -4.27 0.41 -0.25 -0.62 2.12 -0.71 -4.48 118.70 110.90 1shy s GLU 545 Ca 0.52 0.53 0.00 0.00 0.36 0.00 0.00 54.97 56.39 1shy s GLU 545 Cb -0.07 0.18 0.04 0.00 0.26 0.00 0.00 34.13 34.54 1shy s GLU 545 CO 0.31 -0.06 -0.09 0.00 -0.54 0.00 0.00 175.26 174.89 1shy s ALA 546 N 0.43 2.62 -0.07 6.30 0.00 0.36 -0.76 121.76 130.63 1shy s ALA 546 Ca 0.01 -1.56 -0.16 0.00 0.00 0.00 0.00 51.96 50.25 1shy s ALA 546 Cb -0.05 -1.61 -0.05 0.00 0.00 0.00 0.00 23.12 21.41 1shy s ALA 546 CO -0.09 -0.92 0.42 -1.58 0.00 0.00 0.00 175.76 173.58 1shy s TRP 547 N 1.24 3.60 0.19 0.00 0.52 -0.73 -0.81 118.94 122.95 1shy s TRP 547 Ca -0.03 0.88 0.10 0.00 0.02 0.00 0.00 56.10 57.08 1shy s TRP 547 Cb -0.17 -2.40 -0.04 0.00 -1.15 0.00 0.00 33.47 29.70 1shy s TRP 547 CO -0.06 0.38 -0.20 -0.51 0.02 0.00 0.00 176.95 176.59 1shy s LEU 548 N -0.13 2.46 -1.34 2.99 2.01 0.15 -2.41 118.68 122.41 1shy s LEU 548 Ca 0.23 -0.89 -0.00 0.00 0.01 0.00 0.00 54.13 53.47 1shy s LEU 548 Cb -0.15 -0.95 -0.00 0.00 0.01 0.00 0.00 46.19 45.10 1shy s LEU 548 CO 0.10 0.01 0.60 0.61 1.01 0.00 0.00 176.35 178.68 1shy n GLY 549 N 0.13 -0.28 3.65 -3.19 0.00 -1.26 -1.30 105.19 102.94 1shy n GLY 549 Ca -0.12 0.14 -0.25 0.00 0.00 0.00 0.00 46.02 45.79 1shy n GLY 549 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1shy s ILE 550 N -3.77 2.46 0.00 -0.61 -4.36 -1.26 -3.07 121.20 110.58 1shy s ILE 550 Ca 0.01 -1.92 0.00 0.00 -0.26 0.00 0.00 60.65 58.48 1shy s ILE 550 Cb -0.00 -2.86 0.00 0.00 1.25 0.00 0.00 42.46 40.84 1shy s ILE 550 CO 0.84 -0.13 0.00 1.57 0.24 0.00 0.00 174.94 177.46 1shy n HIS 551 N -1.01 0.00 -3.09 1.37 -0.00 -1.26 -4.39 115.22 106.84 1shy n HIS 551 Ca -0.04 0.00 -0.41 0.00 -0.00 0.00 0.00 57.72 57.27 1shy n HIS 551 Cb 0.63 0.04 -0.06 0.00 -0.00 0.00 0.00 29.99 30.60 1shy n HIS 551 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.34 176.68 1shy s ASP 552 N -3.81 6.51 0.44 0.26 -1.08 -1.26 -1.07 116.67 116.65 1shy s ASP 552 Ca 0.00 0.44 0.37 0.00 -0.52 0.00 0.00 52.55 52.84 1shy s ASP 552 Cb 0.00 -2.34 1.41 0.00 -1.46 0.00 0.00 42.92 40.53 1shy s ASP 552 CO 0.00 -0.51 1.35 0.55 0.52 0.00 0.00 175.17 177.08 1shy n VAL 553 N 5.43 -0.09 -0.34 1.11 3.14 0.21 0.32 118.33 128.10 1shy n VAL 553 Ca -0.00 1.40 0.12 0.00 -2.96 0.00 0.00 64.34 62.90 1shy n VAL 553 Cb 0.49 -2.32 0.32 0.00 -1.06 0.00 0.00 33.84 31.27 1shy n VAL 553 CO 0.00 0.00 0.00 1.41 -6.46 0.00 0.00 176.83 171.78 1shy n HIS 554 N -3.98 0.98 -1.08 1.45 8.25 -1.26 -4.91 115.22 114.67 1shy n HIS 554 Ca 0.37 -0.49 -0.03 0.00 -0.26 0.00 0.00 57.72 57.31 1shy n HIS 554 Cb 1.58 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 32.68 1shy n HIS 554 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1shy n GLY 555 N 1.68 0.55 0.14 -1.41 0.00 0.95 -4.93 105.19 102.17 1shy n GLY 555 Ca 0.25 -0.26 -0.09 0.00 0.00 0.00 0.00 46.02 45.92 1shy n GLY 555 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1shy h ARG 556 N 0.41 0.35 0.00 1.61 3.08 -1.93 -1.73 114.38 116.18 1shy h ARG 556 Ca -0.06 -0.02 -0.07 0.00 0.07 0.00 0.00 59.98 59.90 1shy h ARG 556 Cb 0.40 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.36 1shy h ARG 556 CO 0.08 0.23 -0.33 0.78 -1.07 0.00 0.00 179.97 179.67 1shy h GLY 557 N 0.36 0.00 -6.57 0.04 0.00 -1.91 -3.43 103.07 91.56 1shy h GLY 557 Ca 0.11 0.00 -0.65 0.00 0.00 0.00 0.00 47.33 46.79 1shy h GLY 557 CO -0.04 0.00 -0.31 1.22 0.00 0.00 0.00 176.54 177.41 1shy n ASP 558 N -3.56 4.15 0.07 0.19 9.92 -0.65 -4.72 116.55 121.95 1shy n ASP 558 Ca -0.00 -3.37 -0.19 0.00 -0.53 0.00 0.00 54.79 50.69 1shy n ASP 558 Cb 0.46 -0.82 -0.14 0.00 -0.64 0.00 0.00 41.12 39.98 1shy n ASP 558 CO 0.00 0.00 0.00 1.05 0.13 0.00 0.00 177.20 178.38 1shy h GLU 559 N 4.76 0.30 0.00 -1.24 9.09 -1.84 -3.12 114.58 122.53 1shy h GLU 559 Ca 0.19 -0.52 0.00 0.00 0.05 0.00 0.00 59.36 59.08 1shy h GLU 559 Cb 0.68 0.19 0.00 0.00 -1.65 0.00 0.00 28.75 27.98 1shy h GLU 559 CO 0.90 1.18 0.00 1.17 0.05 0.00 0.00 179.01 182.32 1shy n LYS 560 N -3.50 0.96 0.00 1.06 4.81 -1.26 -4.08 118.16 116.15 1shy n LYS 560 Ca -0.19 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.25 1shy n LYS 560 Cb 1.06 -1.39 0.00 0.00 0.02 0.00 0.00 35.03 34.72 1shy n LYS 560 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1shy n LYS 562 N -1.72 0.30 -3.73 0.00 4.81 -1.18 -4.60 118.16 112.04 1shy n LYS 562 Ca 0.00 0.11 -0.24 0.00 -0.87 0.00 0.00 58.31 57.30 1shy n LYS 562 Cb 0.29 -1.35 -0.17 0.00 0.02 0.00 0.00 35.03 33.81 1shy n LYS 562 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 1shy s GLN 563 N -0.67 0.45 -0.20 1.64 -0.21 -0.42 -4.95 119.66 115.30 1shy s GLN 563 Ca 0.72 -0.02 -0.07 0.00 0.02 0.00 0.00 55.36 56.01 1shy s GLN 563 Cb -0.99 -1.33 -0.04 0.00 1.00 0.00 0.00 33.01 31.66 1shy s GLN 563 CO 0.56 -0.45 0.06 0.14 -2.12 0.00 0.00 175.29 173.48 1shy s VAL 564 N 1.99 4.55 -0.02 1.09 -7.23 -1.26 0.31 120.40 119.83 1shy s VAL 564 Ca 0.03 -0.11 0.06 0.00 -1.81 0.00 0.00 61.98 60.15 1shy s VAL 564 Cb -0.14 -3.07 -0.01 0.00 0.56 0.00 0.00 36.38 33.71 1shy s VAL 564 CO -0.06 0.42 -0.20 -0.76 -0.31 0.00 0.00 175.10 174.19 1shy s LEU 565 N 0.81 2.01 0.61 1.32 1.43 0.01 -4.95 118.68 119.92 1shy s LEU 565 Ca 0.03 -0.37 -0.15 0.00 -1.03 0.00 0.00 54.13 52.61 1shy s LEU 565 Cb -0.14 -1.05 -0.03 0.00 0.03 0.00 0.00 46.19 45.01 1shy s LEU 565 CO 0.02 0.23 1.06 0.20 0.23 0.00 0.00 176.35 178.09 1shy s ASN 566 N -0.33 5.68 -0.22 2.29 0.01 -1.26 -0.48 114.94 120.62 1shy s ASN 566 Ca 0.04 1.80 -0.12 0.00 -0.71 0.00 0.00 52.86 53.87 1shy s ASN 566 Cb -0.09 -2.53 -0.05 0.00 0.41 0.00 0.00 41.25 38.99 1shy s ASN 566 CO 0.00 -1.24 0.20 -0.69 -1.51 0.00 0.00 177.10 173.87 1shy s VAL 567 N -2.54 5.34 -0.12 1.60 1.01 -1.26 -0.79 120.40 123.64 1shy s VAL 567 Ca 0.63 0.30 0.19 0.00 0.00 0.00 0.00 61.98 63.10 1shy s VAL 567 Cb -0.16 -3.54 -0.26 0.00 0.00 0.00 0.00 36.38 32.41 1shy s VAL 567 CO 0.40 0.35 0.36 -1.54 0.00 0.00 0.00 175.10 174.66 1shy n SER 568 N 4.14 0.14 -3.70 3.32 3.41 0.98 -4.81 113.62 117.11 1shy n SER 568 Ca -0.14 0.06 -0.14 0.00 -0.26 0.00 0.00 58.87 58.39 1shy n SER 568 Cb 0.52 1.26 -0.08 0.00 -0.26 0.00 0.00 64.21 65.64 1shy n SER 568 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1shy s GLN 569 N -2.97 0.70 -0.16 4.33 -0.21 -1.02 -4.98 119.66 115.35 1shy s GLN 569 Ca -0.08 0.21 0.01 0.00 0.02 0.00 0.00 55.36 55.52 1shy s GLN 569 Cb 0.10 0.33 0.01 0.00 1.00 0.00 0.00 33.01 34.44 1shy s GLN 569 CO 0.86 -0.17 -0.18 -0.51 -2.12 0.00 0.00 175.29 173.17 1shy s LEU 570 N -0.72 2.31 -0.28 2.90 1.02 -1.26 -0.99 118.68 121.66 1shy s LEU 570 Ca -0.08 -0.55 0.03 0.00 0.02 0.00 0.00 54.13 53.55 1shy s LEU 570 Cb -0.03 -1.52 0.07 0.00 0.02 0.00 0.00 46.19 44.73 1shy s LEU 570 CO 0.04 0.06 -0.06 -0.69 0.02 0.00 0.00 176.35 175.72 1shy s VAL 571 N 0.94 2.10 0.25 -1.59 1.01 0.66 -4.97 120.40 118.79 1shy s VAL 571 Ca -0.03 -1.75 -0.30 0.00 0.00 0.00 0.00 61.98 59.90 1shy s VAL 571 Cb -0.15 -2.31 -0.09 0.00 0.00 0.00 0.00 36.38 33.83 1shy s VAL 571 CO -0.03 -0.18 1.07 -0.31 0.00 0.00 0.00 175.10 175.65 1shy s TYR 572 N 1.10 3.65 0.85 5.22 1.51 -1.26 -0.23 117.35 128.19 1shy s TYR 572 Ca -0.04 1.72 -0.11 0.00 -1.01 0.00 0.00 57.07 57.63 1shy s TYR 572 Cb -0.20 -3.23 0.14 0.00 -0.11 0.00 0.00 41.96 38.56 1shy s TYR 572 CO -0.06 -0.39 1.19 0.20 -1.11 0.00 0.00 175.55 175.37 1shy s GLY 573 N -0.77 1.73 0.54 0.71 0.00 -0.57 -4.93 107.32 104.03 1shy s GLY 573 Ca 0.45 -1.13 -0.14 0.00 0.00 0.00 0.00 44.72 43.90 1shy s GLY 573 CO 0.38 -0.51 -0.29 -1.05 0.00 0.00 0.00 173.10 171.63 1shy n PRO 574 N -3.39 0.00 -0.23 2.90 -0.02 -1.26 -4.74 135.00 128.27 1shy n PRO 574 Ca 0.12 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.61 1shy n PRO 574 Cb 0.60 -0.80 0.08 0.00 -0.02 0.00 0.00 33.50 33.36 1shy n PRO 574 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1shy h GLU 575 N -0.28 0.01 -0.12 -0.52 4.81 -2.00 -1.57 114.58 114.91 1shy h GLU 575 Ca -0.34 -0.00 0.04 0.00 -0.13 0.00 0.00 59.36 58.94 1shy h GLU 575 Cb 1.11 -0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.44 1shy h GLU 575 CO 0.28 0.01 -0.18 0.78 -0.73 0.00 0.00 179.01 179.16 1shy h GLY 576 N 0.01 -0.15 -1.23 1.92 0.00 -2.03 -3.46 103.07 98.14 1shy h GLY 576 Ca 0.33 0.22 -0.50 0.00 0.00 0.00 0.00 47.33 47.38 1shy h GLY 576 CO -0.68 -0.17 0.24 -1.35 0.00 0.00 0.00 176.54 174.58 1shy s SER 577 N -5.02 3.35 -0.26 0.19 1.04 -0.59 -4.95 113.70 107.46 1shy s SER 577 Ca -0.15 1.85 0.12 0.00 0.48 0.00 0.00 55.95 58.25 1shy s SER 577 Cb 0.10 -2.44 0.57 0.00 0.10 0.00 0.00 66.02 64.35 1shy s SER 577 CO 0.67 -2.77 1.54 0.47 0.98 0.00 0.00 173.24 174.13 1shy n ASP 578 N -4.00 3.54 -4.77 7.02 8.00 -1.26 -4.88 116.55 120.19 1shy n ASP 578 Ca 0.09 -3.37 -0.38 0.00 0.71 0.00 0.00 54.79 51.84 1shy n ASP 578 Cb 0.53 -0.63 -0.06 0.00 -0.02 0.00 0.00 41.12 40.94 1shy n ASP 578 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1shy s LEU 579 N -3.04 4.39 -0.08 0.64 1.43 -1.26 0.06 118.68 120.81 1shy s LEU 579 Ca 0.46 1.92 -0.06 0.00 -1.03 0.00 0.00 54.13 55.43 1shy s LEU 579 Cb 0.39 -3.93 0.03 0.00 0.03 0.00 0.00 46.19 42.71 1shy s LEU 579 CO 0.07 -0.09 0.20 0.54 0.23 0.00 0.00 176.35 177.29 1shy s VAL 580 N -1.51 -0.02 -0.25 -1.59 0.11 0.23 -1.51 120.40 115.86 1shy s VAL 580 Ca 0.49 0.06 -0.13 0.00 -2.93 0.00 0.00 61.98 59.47 1shy s VAL 580 Cb -0.22 -0.29 -0.04 0.00 -1.53 0.00 0.00 36.38 34.30 1shy s VAL 580 CO 0.27 0.03 0.28 -0.76 -3.33 0.00 0.00 175.10 171.59 1shy s LEU 581 N 0.55 4.08 -0.25 2.54 1.43 0.68 -1.56 118.68 126.15 1shy s LEU 581 Ca -0.04 0.23 -0.12 0.00 -1.03 0.00 0.00 54.13 53.17 1shy s LEU 581 Cb -0.05 -2.30 -0.05 0.00 0.03 0.00 0.00 46.19 43.82 1shy s LEU 581 CO -0.03 -0.07 0.24 -0.32 0.23 0.00 0.00 176.35 176.40 1shy s MET 582 N 1.56 4.03 -0.16 1.70 1.75 -0.15 -0.25 119.30 127.79 1shy s MET 582 Ca 0.12 -0.17 -0.19 0.00 -1.25 0.00 0.00 55.69 54.20 1shy s MET 582 Cb -0.15 -3.60 -0.04 0.00 2.84 0.00 0.00 34.83 33.88 1shy s MET 582 CO 0.08 -0.09 0.51 0.21 -0.65 0.00 0.00 175.02 175.08 1shy s LYS 583 N 1.50 4.26 0.02 4.11 2.36 -0.16 -1.07 119.74 130.76 1shy s LYS 583 Ca 0.10 0.45 -0.07 0.00 -2.55 0.00 0.00 55.97 53.90 1shy s LYS 583 Cb -0.15 -3.51 -0.05 0.00 -1.05 0.00 0.00 37.83 33.07 1shy s LYS 583 CO 0.08 -0.02 0.30 -0.48 1.55 0.00 0.00 175.35 176.78 1shy s LEU 584 N 1.21 4.37 -1.25 5.43 0.05 -0.91 -0.01 118.68 127.56 1shy s LEU 584 Ca 0.25 0.61 -0.17 0.00 0.05 0.00 0.00 54.13 54.88 1shy s LEU 584 Cb -0.15 -2.74 -0.02 0.00 -2.05 0.00 0.00 46.19 41.23 1shy s LEU 584 CO 0.10 0.24 2.12 0.00 -0.55 0.00 0.00 176.35 178.25 1shy n ALA 585 N 1.07 4.76 0.00 1.48 0.00 0.03 -4.40 120.51 123.45 1shy n ALA 585 Ca -0.10 -3.70 0.00 0.00 0.00 0.00 0.00 53.44 49.63 1shy n ALA 585 Cb 0.53 -3.57 0.00 0.00 0.00 0.00 0.00 19.45 16.41 1shy n ALA 585 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1shy n ARG 586 N 6.50 0.00 -1.85 0.00 0.63 -1.26 -4.77 116.66 115.91 1shy n ARG 586 Ca 0.51 0.00 -0.37 0.00 -0.92 0.00 0.00 57.85 57.07 1shy n ARG 586 Cb 0.40 0.00 0.05 0.00 0.45 0.00 0.00 32.46 33.36 1shy n ARG 586 CO 0.00 0.00 0.00 -2.14 -2.51 0.00 0.00 177.63 172.98 1shy s PRO 587 N -5.76 2.88 0.53 -0.14 0.02 -1.26 -4.90 135.00 126.37 1shy s PRO 587 Ca 0.00 2.03 -0.21 0.00 0.02 0.00 0.00 61.00 62.84 1shy s PRO 587 Cb 0.00 -2.00 -0.05 0.00 0.02 0.00 0.00 34.50 32.47 1shy s PRO 587 CO 0.00 -1.33 1.26 0.00 -0.33 0.00 0.00 177.00 176.60 1shy s ALA 588 N -1.43 2.80 -0.22 -1.55 0.00 0.13 -4.98 121.76 116.50 1shy s ALA 588 Ca 0.77 1.13 -0.10 0.00 0.00 0.00 0.00 51.96 53.77 1shy s ALA 588 Cb -0.36 -3.48 -0.05 0.00 0.00 0.00 0.00 23.12 19.23 1shy s ALA 588 CO 0.40 -1.10 0.14 0.08 0.00 0.00 0.00 175.76 175.28 1shy s VAL 589 N -1.44 5.31 -0.71 0.00 1.01 -1.26 -4.87 120.40 118.44 1shy s VAL 589 Ca 0.70 0.16 -0.18 0.00 0.00 0.00 0.00 61.98 62.66 1shy s VAL 589 Cb -0.34 -3.46 0.13 0.00 0.00 0.00 0.00 36.38 32.71 1shy s VAL 589 CO 0.40 0.38 0.83 -0.76 0.00 0.00 0.00 175.10 175.95 1shy s LEU 590 N 0.80 5.46 0.00 3.92 1.43 -1.26 -4.71 118.68 124.31 1shy s LEU 590 Ca 0.07 -1.74 0.00 0.00 -1.03 0.00 0.00 54.13 51.43 1shy s LEU 590 Cb -0.13 -2.32 0.00 0.00 0.03 0.00 0.00 46.19 43.78 1shy s LEU 590 CO 0.02 -1.04 0.00 -0.90 0.23 0.00 0.00 176.35 174.66 1shy n ASP 591 N 6.11 0.00 0.09 2.29 5.68 -1.22 -4.92 116.55 124.57 1shy n ASP 591 Ca 0.02 0.00 0.01 0.00 -0.50 0.00 0.00 54.79 54.32 1shy n ASP 591 Cb 0.45 0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 40.40 1shy n ASP 591 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 1shy h ASP 592 N 0.00 0.00 1.34 -1.12 3.45 -2.01 -3.33 116.42 114.75 1shy h ASP 592 Ca 0.00 0.00 -0.09 0.00 0.43 0.00 0.00 57.03 57.37 1shy h ASP 592 Cb 0.00 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 38.76 1shy h ASP 592 CO 0.00 0.57 -0.69 -0.26 -1.57 0.00 0.00 179.24 177.29 1shy h PHE 593 N 0.00 0.00 -3.23 4.55 -1.00 -1.95 -3.44 116.94 111.88 1shy h PHE 593 Ca -0.08 0.00 -0.67 0.00 2.81 0.00 0.00 57.97 60.04 1shy h PHE 593 Cb 1.50 0.00 -0.34 0.00 3.61 0.00 0.00 35.95 40.72 1shy h PHE 593 CO 0.00 0.37 -0.83 0.08 -1.61 0.00 0.00 178.31 176.32 1shy s VAL 594 N -3.05 2.32 0.08 -0.55 1.01 -1.25 -4.10 120.40 114.86 1shy s VAL 594 Ca 0.02 -0.96 0.02 0.00 0.00 0.00 0.00 61.98 61.07 1shy s VAL 594 Cb 0.08 -2.05 -0.03 0.00 0.00 0.00 0.00 36.38 34.37 1shy s VAL 594 CO 0.75 0.43 -0.08 -0.94 0.00 0.00 0.00 175.10 175.27 1shy s SER 595 N 1.30 1.15 0.29 3.32 1.04 -0.42 -3.39 113.70 116.99 1shy s SER 595 Ca 0.03 -0.81 -0.09 0.00 0.48 0.00 0.00 55.95 55.57 1shy s SER 595 Cb -0.14 0.05 -0.06 0.00 0.10 0.00 0.00 66.02 65.96 1shy s SER 595 CO -0.10 -0.32 0.61 0.42 0.98 0.00 0.00 173.24 174.82 1shy s THR 596 N -2.58 4.92 0.26 2.02 -4.23 -1.26 -2.61 115.64 112.15 1shy s THR 596 Ca 0.03 0.39 -0.06 0.00 -1.18 0.00 0.00 61.69 60.87 1shy s THR 596 Cb -0.02 -3.68 -0.06 0.00 1.34 0.00 0.00 72.50 70.09 1shy s THR 596 CO -0.02 -0.25 0.54 -0.51 -0.54 0.00 0.00 174.62 173.84 1shy s ILE 597 N -2.02 5.01 1.03 2.99 2.07 0.39 -4.85 121.20 125.82 1shy s ILE 597 Ca 0.47 0.19 -0.16 0.00 -1.41 0.00 0.00 60.65 59.74 1shy s ILE 597 Cb -0.11 -3.69 0.21 0.00 0.13 0.00 0.00 42.46 39.01 1shy s ILE 597 CO 0.26 -0.22 1.20 -1.81 -1.91 0.00 0.00 174.94 172.46 1shy s ASP 598 N -2.86 2.44 0.07 4.50 1.11 -1.20 -4.66 116.67 116.08 1shy s ASP 598 Ca 0.45 0.58 0.01 0.00 0.18 0.00 0.00 52.55 53.76 1shy s ASP 598 Cb -0.11 -0.83 -0.04 0.00 1.07 0.00 0.00 42.92 43.02 1shy s ASP 598 CO 0.27 -3.18 -0.06 -0.76 1.18 0.00 0.00 175.17 172.62 1shy s LEU 599 N -6.30 2.43 0.85 1.23 1.43 -1.26 -2.26 118.68 114.80 1shy s LEU 599 Ca 0.70 -0.86 -0.12 0.00 -1.03 0.00 0.00 54.13 52.82 1shy s LEU 599 Cb -0.09 -0.02 0.10 0.00 0.03 0.00 0.00 46.19 46.22 1shy s LEU 599 CO 0.54 -0.42 1.10 -2.84 0.23 0.00 0.00 176.35 174.96 1shy s PRO 600 N -3.15 1.62 0.42 1.29 0.02 -1.26 -4.96 135.00 128.97 1shy s PRO 600 Ca 0.04 0.58 -0.19 0.00 0.02 0.00 0.00 61.00 61.45 1shy s PRO 600 Cb 0.01 -1.87 -0.10 0.00 0.02 0.00 0.00 34.50 32.56 1shy s PRO 600 CO -0.04 -1.93 0.90 -0.80 -0.33 0.00 0.00 177.00 174.80 1shy s ASN 601 N -3.82 6.85 0.14 2.53 -0.87 -1.26 -4.91 114.94 113.60 1shy s ASN 601 Ca 0.62 1.57 -0.33 0.00 -1.57 0.00 0.00 52.86 53.16 1shy s ASN 601 Cb -0.15 -2.49 -0.10 0.00 -0.02 0.00 0.00 41.25 38.48 1shy s ASN 601 CO 0.55 -0.36 1.55 0.22 -2.57 0.00 0.00 177.10 176.48 1shy h TYR 602 N 1.83 -1.74 0.00 2.20 3.20 -1.94 -2.37 116.97 118.15 1shy h TYR 602 Ca -0.48 0.09 0.00 0.00 3.14 0.00 0.00 58.73 61.48 1shy h TYR 602 Cb 1.18 0.83 0.00 0.00 1.54 0.00 0.00 36.73 40.28 1shy h TYR 602 CO 0.62 -0.47 0.00 0.78 -1.64 0.00 0.00 178.16 177.45 1shy h GLY 603 N -0.33 0.00 -3.48 1.82 0.00 -1.95 -3.38 103.07 95.74 1shy h GLY 603 Ca 0.09 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 46.83 1shy h GLY 603 CO -0.65 0.00 -0.94 -1.14 0.00 0.00 0.00 176.54 173.80 1shy n SER 604 N -2.82 -2.95 -4.38 0.19 3.41 -0.89 -5.04 113.62 101.14 1shy n SER 604 Ca 0.03 0.61 -0.23 0.00 -0.26 0.00 0.00 58.87 59.03 1shy n SER 604 Cb 0.39 -0.97 -0.01 0.00 -0.26 0.00 0.00 64.21 63.37 1shy n SER 604 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1shy n THR 605 N -1.79 0.00 -4.14 6.66 -2.24 -1.26 -4.94 114.28 106.57 1shy n THR 605 Ca 0.08 -1.86 -0.16 0.00 -2.27 0.00 0.00 64.05 59.84 1shy n THR 605 Cb 0.49 -0.05 -0.14 0.00 -2.10 0.00 0.00 70.33 68.53 1shy n THR 605 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 1shy s ILE 606 N -2.33 0.38 0.58 2.28 -5.25 -1.26 -5.11 121.20 110.48 1shy s ILE 606 Ca 0.24 -0.20 -0.17 0.00 -0.99 0.00 0.00 60.65 59.52 1shy s ILE 606 Cb -0.02 -0.32 -0.04 0.00 2.95 0.00 0.00 42.46 45.03 1shy s ILE 606 CO 0.15 0.11 1.08 -2.84 -1.79 0.00 0.00 174.94 171.64 1shy s PRO 607 N -0.11 3.32 0.72 0.37 0.02 -1.26 -5.00 135.00 133.07 1shy s PRO 607 Ca 0.02 1.35 -0.15 0.00 0.02 0.00 0.00 61.00 62.24 1shy s PRO 607 Cb -0.02 -2.02 0.04 0.00 0.02 0.00 0.00 34.50 32.51 1shy s PRO 607 CO -0.00 -0.83 1.17 -1.21 -0.33 0.00 0.00 177.00 175.80 1shy s GLU 608 N -3.76 2.26 -1.69 5.54 2.02 -1.26 -2.96 118.70 118.85 1shy s GLU 608 Ca 0.67 1.62 0.00 0.00 0.02 0.00 0.00 54.97 57.28 1shy s GLU 608 Cb -0.18 -1.86 0.00 0.00 0.10 0.00 0.00 34.13 32.18 1shy s GLU 608 CO 0.33 -1.71 0.00 1.63 0.02 0.00 0.00 175.26 175.52 1shy n LYS 609 N -2.76 -1.43 -2.24 1.61 4.01 0.11 -4.91 118.16 112.55 1shy n LYS 609 Ca 0.12 1.05 -0.42 0.00 -0.51 0.00 0.00 58.31 58.56 1shy n LYS 609 Cb 0.51 -5.38 -0.03 0.00 -0.51 0.00 0.00 35.03 29.62 1shy n LYS 609 CO 0.00 0.00 0.00 0.99 -1.11 0.00 0.00 177.40 177.28 1shy s THR 610 N -2.43 3.53 0.33 -0.18 2.01 -1.15 -4.68 115.64 113.07 1shy s THR 610 Ca 0.00 1.09 -0.26 0.00 0.31 0.00 0.00 61.69 62.83 1shy s THR 610 Cb 0.00 -3.70 -0.10 0.00 0.01 0.00 0.00 72.50 68.71 1shy s THR 610 CO 0.00 0.08 0.95 -0.94 -0.69 0.00 0.00 174.62 174.02 1shy s SER 611 N 1.13 7.30 0.24 3.53 1.04 -1.26 -0.87 113.70 124.80 1shy s SER 611 Ca 0.63 1.83 -0.05 0.00 0.48 0.00 0.00 55.95 58.83 1shy s SER 611 Cb -0.34 -2.58 -0.02 0.00 0.10 0.00 0.00 66.02 63.18 1shy s SER 611 CO 0.30 -0.10 0.31 0.00 0.98 0.00 0.00 173.24 174.73 1shy s SER 613 N -3.12 0.48 0.15 0.00 0.01 0.11 -1.41 113.70 109.92 1shy s SER 613 Ca 0.32 -0.29 0.05 0.00 1.31 0.00 0.00 55.95 57.33 1shy s SER 613 Cb 0.03 0.01 -0.04 0.00 0.21 0.00 0.00 66.02 66.23 1shy s SER 613 CO 0.12 -0.10 0.11 0.68 0.41 0.00 0.00 173.24 174.47 1shy s VAL 614 N -0.73 4.44 -0.00 3.43 -7.23 0.11 0.77 120.40 121.19 1shy s VAL 614 Ca -0.05 -1.04 0.01 0.00 -1.81 0.00 0.00 61.98 59.09 1shy s VAL 614 Cb -0.06 -3.23 -0.00 0.00 0.56 0.00 0.00 36.38 33.65 1shy s VAL 614 CO -0.00 -0.05 -0.05 -0.31 -0.31 0.00 0.00 175.10 174.38 1shy s TYR 615 N -1.66 0.43 -0.21 2.82 2.02 -1.24 -1.52 117.35 117.99 1shy s TYR 615 Ca 0.30 -0.11 -0.36 0.00 -0.37 0.00 0.00 57.07 56.54 1shy s TYR 615 Cb -0.10 -0.28 0.14 0.00 -0.40 0.00 0.00 41.96 41.32 1shy s TYR 615 CO 0.23 -0.01 1.24 0.20 -1.57 0.00 0.00 175.55 175.63 1shy s GLY 616 N -0.21 -0.27 0.00 0.71 0.00 -0.61 -4.62 107.32 102.32 1shy s GLY 616 Ca 0.01 1.67 0.18 0.00 0.00 0.00 0.00 44.72 46.58 1shy s GLY 616 CO -0.00 0.56 1.39 0.79 0.00 0.00 0.00 173.10 175.83 1shy n TRP 617 N -0.07 0.67 -0.25 1.90 8.01 -1.26 -1.92 117.44 124.53 1shy n TRP 617 Ca 0.01 -0.43 0.00 0.00 -1.31 0.00 0.00 57.50 55.78 1shy n TRP 617 Cb 0.58 -0.01 0.00 0.00 -2.01 0.00 0.00 31.31 29.87 1shy n TRP 617 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1shy n GLY 618 N 1.21 -2.34 3.77 6.99 0.00 -1.21 -4.82 105.19 108.79 1shy n GLY 618 Ca 0.18 -1.42 -0.38 0.00 0.00 0.00 0.00 46.02 44.41 1shy n GLY 618 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1shy s TYR 619 N -0.52 3.15 0.00 1.61 6.14 0.04 -2.25 117.35 125.52 1shy s TYR 619 Ca 0.00 1.58 0.00 0.00 0.64 0.00 0.00 57.07 59.29 1shy s TYR 619 Cb 0.00 -3.33 0.00 0.00 0.42 0.00 0.00 41.96 39.05 1shy s TYR 619 CO 0.00 -1.12 0.50 0.25 0.64 0.00 0.00 175.55 175.82 1shy n THR 620 N 0.12 0.23 -1.47 4.34 -2.24 -1.26 -0.21 114.28 113.79 1shy n THR 620 Ca 0.04 -0.43 -0.17 0.00 -2.27 0.00 0.00 64.05 61.23 1shy n THR 620 Cb 0.47 1.12 -0.07 0.00 -2.10 0.00 0.00 70.33 69.75 1shy n THR 620 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1shy n GLY 621 N -0.11 1.57 3.85 3.38 0.00 -1.26 -4.62 105.19 107.99 1shy n GLY 621 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 1shy n GLY 621 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1shy s LEU 622 N -4.00 4.37 0.17 0.99 1.43 -1.26 -5.01 118.68 115.36 1shy s LEU 622 Ca 0.00 0.98 -0.16 0.00 -1.03 0.00 0.00 54.13 53.92 1shy s LEU 622 Cb 0.00 -3.06 0.11 0.00 0.03 0.00 0.00 46.19 43.27 1shy s LEU 622 CO 0.00 0.17 1.71 0.40 0.23 0.00 0.00 176.35 178.86 1shy h ILE 623 N 2.99 0.76 -2.80 -0.59 2.04 -2.07 -3.36 117.51 114.48 1shy h ILE 623 Ca -0.49 -0.06 -0.60 0.00 1.00 0.00 0.00 64.86 64.71 1shy h ILE 623 Cb 1.20 0.58 -0.40 0.00 -0.74 0.00 0.00 36.82 37.46 1shy h ILE 623 CO 0.65 0.03 -0.79 0.20 0.00 0.00 0.00 178.15 178.24 1shy s ASN 624 N -5.29 3.28 0.03 1.72 0.01 -1.26 -5.10 114.94 108.32 1shy s ASN 624 Ca -0.13 -2.53 -0.32 0.00 -0.71 0.00 0.00 52.86 49.16 1shy s ASN 624 Cb 0.13 -0.78 -0.11 0.00 0.41 0.00 0.00 41.25 40.91 1shy s ASN 624 CO 0.71 -0.27 1.88 0.00 -1.51 0.00 0.00 177.10 177.91 1shy n TYR 625 N 3.63 2.47 0.68 2.20 9.36 -1.26 -4.86 117.16 129.38 1shy n TYR 625 Ca 0.12 -0.15 0.09 0.00 3.32 0.00 0.00 57.90 61.28 1shy n TYR 625 Cb 0.36 -2.72 0.42 0.00 -0.63 0.00 0.00 39.34 36.77 1shy n TYR 625 CO 0.00 0.00 0.00 -0.40 0.22 0.00 0.00 176.86 176.68 1shy n ASP 626 N 6.44 0.00 0.00 2.98 5.68 -1.26 -4.89 116.55 125.49 1shy n ASP 626 Ca 0.20 0.45 0.00 0.00 -0.50 0.00 0.00 54.79 54.94 1shy n ASP 626 Cb 0.35 -0.48 0.00 0.00 -1.14 0.00 0.00 41.12 39.85 1shy n ASP 626 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1shy n GLY 627 N 0.46 0.34 3.82 6.12 0.00 -1.26 -4.92 105.19 109.75 1shy n GLY 627 Ca 0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 1shy n GLY 627 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1shy s LEU 628 N 0.00 3.74 0.37 0.99 1.43 -1.26 0.66 118.68 124.61 1shy s LEU 628 Ca 0.00 1.72 -0.28 0.00 -1.03 0.00 0.00 54.13 54.54 1shy s LEU 628 Cb 0.00 -4.53 -0.11 0.00 0.03 0.00 0.00 46.19 41.57 1shy s LEU 628 CO 0.00 -0.66 1.44 -0.11 0.23 0.00 0.00 176.35 177.24 1shy n LEU 629 N -1.25 4.47 -4.34 1.79 7.94 -0.23 -4.85 117.00 120.52 1shy n LEU 629 Ca 0.08 1.22 -0.26 0.00 -1.11 0.00 0.00 56.01 55.93 1shy n LEU 629 Cb 0.53 -1.59 -0.13 0.00 0.53 0.00 0.00 43.42 42.77 1shy n LEU 629 CO 0.42 -0.01 -0.54 -0.13 -1.11 0.00 0.00 177.39 176.02 1shy s ARG 630 N -2.05 1.28 -0.02 1.96 0.52 -0.81 -0.66 118.95 119.17 1shy s ARG 630 Ca 0.54 -1.28 0.02 0.00 -0.52 0.00 0.00 55.73 54.49 1shy s ARG 630 Cb -0.50 -1.64 0.00 0.00 0.52 0.00 0.00 34.95 33.33 1shy s ARG 630 CO 0.63 0.38 -0.07 0.54 0.02 0.00 0.00 175.30 176.80 1shy s VAL 631 N -1.20 0.63 -0.03 3.52 0.11 0.51 -1.57 120.40 122.37 1shy s VAL 631 Ca 0.11 -0.28 0.04 0.00 -2.93 0.00 0.00 61.98 58.92 1shy s VAL 631 Cb -0.10 -0.57 -0.01 0.00 -1.53 0.00 0.00 36.38 34.18 1shy s VAL 631 CO 0.05 0.20 -0.16 0.00 -3.33 0.00 0.00 175.10 171.87 1shy s ALA 632 N 0.19 1.37 -0.11 1.54 0.00 -0.58 -1.70 121.76 122.47 1shy s ALA 632 Ca -0.02 -0.65 -0.13 0.00 0.00 0.00 0.00 51.96 51.15 1shy s ALA 632 Cb -0.07 -0.42 -0.05 0.00 0.00 0.00 0.00 23.12 22.58 1shy s ALA 632 CO 0.00 0.28 0.31 -1.01 0.00 0.00 0.00 175.76 175.34 1shy s HIS 633 N -0.11 3.55 0.10 0.00 3.76 -1.26 -0.71 115.29 120.61 1shy s HIS 633 Ca 0.00 0.70 0.02 0.00 -0.15 0.00 0.00 55.06 55.63 1shy s HIS 633 Cb -0.09 -2.29 -0.04 0.00 1.11 0.00 0.00 32.58 31.27 1shy s HIS 633 CO 0.01 0.40 -0.07 -0.51 -0.85 0.00 0.00 174.74 173.72 1shy s LEU 634 N -0.09 2.50 0.06 0.89 1.43 -0.50 -4.50 118.68 118.48 1shy s LEU 634 Ca 0.19 -0.98 0.05 0.00 -1.03 0.00 0.00 54.13 52.35 1shy s LEU 634 Cb -0.14 -0.08 -0.04 0.00 0.03 0.00 0.00 46.19 45.96 1shy s LEU 634 CO 0.06 -0.45 -0.04 -0.31 0.23 0.00 0.00 176.35 175.85 1shy s TYR 635 N -3.49 2.92 -0.01 0.29 2.02 0.17 0.78 117.35 120.02 1shy s TYR 635 Ca 0.11 -0.05 -0.30 0.00 -0.37 0.00 0.00 57.07 56.46 1shy s TYR 635 Cb 0.04 -1.54 -0.04 0.00 -0.40 0.00 0.00 41.96 40.02 1shy s TYR 635 CO -0.04 0.44 1.22 0.42 -1.57 0.00 0.00 175.55 176.02 1shy s ILE 636 N -1.20 4.13 0.12 2.71 -1.09 -0.05 -1.44 121.20 124.37 1shy s ILE 636 Ca 0.22 1.49 0.02 0.00 -2.23 0.00 0.00 60.65 60.15 1shy s ILE 636 Cb -0.11 -3.96 -0.04 0.00 -1.58 0.00 0.00 42.46 36.77 1shy s ILE 636 CO 0.14 0.04 0.23 -0.32 -1.23 0.00 0.00 174.94 173.80 1shy s MET 637 N 1.84 3.33 0.65 2.79 1.75 -0.59 0.07 119.30 129.14 1shy s MET 637 Ca 0.58 -0.59 -0.16 0.00 -1.25 0.00 0.00 55.69 54.27 1shy s MET 637 Cb -0.27 -2.93 -0.00 0.00 2.84 0.00 0.00 34.83 34.47 1shy s MET 637 CO 0.25 0.55 1.13 0.20 -0.65 0.00 0.00 175.02 176.50 1shy s GLY 638 N -2.93 2.27 0.24 2.11 0.00 -1.26 -4.14 107.32 103.61 1shy s GLY 638 Ca 0.34 0.65 -0.03 0.00 0.00 0.00 0.00 44.72 45.68 1shy s GLY 638 CO 0.27 1.02 1.72 3.43 0.00 0.00 0.00 173.10 179.54 1shy h ASN 639 N 0.15 0.81 -0.59 1.64 4.21 -1.94 -0.46 115.58 119.40 1shy h ASN 639 Ca -0.47 -0.22 0.05 0.00 1.21 0.00 0.00 56.30 56.87 1shy h ASN 639 Cb 1.26 -0.22 -0.05 0.00 -1.12 0.00 0.00 38.32 38.20 1shy h ASN 639 CO 0.54 0.89 0.32 -0.08 -1.29 0.00 0.00 177.43 177.81 1shy h GLU 640 N 0.76 0.59 0.07 0.81 4.81 -1.98 0.38 114.58 120.02 1shy h GLU 640 Ca 0.14 -0.04 -0.26 0.00 -0.13 0.00 0.00 59.36 59.08 1shy h GLU 640 Cb 0.52 -0.13 0.01 0.00 0.63 0.00 0.00 28.75 29.77 1shy h GLU 640 CO 0.03 0.39 -1.11 0.87 -0.73 0.00 0.00 179.01 178.45 1shy h LYS 641 N 0.61 0.42 0.00 1.92 1.79 -1.96 -3.30 116.57 116.05 1shy h LYS 641 Ca 0.26 -0.54 -0.00 0.00 -2.18 0.00 0.00 60.65 58.18 1shy h LYS 641 Cb 0.13 0.18 -0.00 0.00 -1.58 0.00 0.00 32.23 30.96 1shy h LYS 641 CO -0.16 1.21 -0.01 0.00 -1.08 0.00 0.00 179.45 179.41 1shy h SER 643 N 0.00 0.88 1.50 0.00 0.02 -0.36 -3.08 113.55 112.52 1shy h SER 643 Ca -0.00 -0.35 0.00 0.00 -0.84 0.00 0.00 61.79 60.60 1shy h SER 643 Cb 0.02 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.32 1shy h SER 643 CO 0.00 1.02 0.00 1.56 -1.14 0.00 0.00 176.83 178.27 1shy h GLN 644 N 0.73 0.00 0.00 3.45 4.20 -1.38 -2.89 115.11 119.22 1shy h GLN 644 Ca 0.12 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.72 1shy h GLN 644 Cb 0.62 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.38 1shy h GLN 644 CO 0.04 0.00 -0.77 0.45 -0.67 0.00 0.00 178.83 177.88 1shy h HIS 645 N 0.00 0.00 -0.12 2.96 3.86 -1.22 -3.20 115.15 117.43 1shy h HIS 645 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1shy h HIS 645 Cb 0.75 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.22 1shy h HIS 645 CO 0.00 0.49 0.00 0.72 0.86 0.00 0.00 177.93 180.00 1shy n HIS 646 N -3.10 0.14 -3.48 2.45 8.25 -1.11 -4.81 115.22 113.56 1shy n HIS 646 Ca -0.01 -0.07 -0.35 0.00 -0.26 0.00 0.00 57.72 57.03 1shy n HIS 646 Cb 0.75 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.89 1shy n HIS 646 CO 0.00 0.00 0.00 2.89 0.64 0.00 0.00 176.34 179.87 1shy n ARG 647 N 0.71 -1.92 0.00 -0.41 1.85 -1.11 -2.90 116.66 112.88 1shy n ARG 647 Ca 0.17 1.41 0.00 0.00 -1.00 0.00 0.00 57.85 58.43 1shy n ARG 647 Cb 0.45 -2.41 0.00 0.00 -1.05 0.00 0.00 32.46 29.45 1shy n ARG 647 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1shy n GLY 648 N -0.37 0.03 0.32 2.89 0.00 -1.21 -4.71 105.19 102.13 1shy n GLY 648 Ca -0.10 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.86 1shy n GLY 648 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1shy h LYS 649 N 0.02 1.11 -5.85 1.61 1.57 -1.80 -3.43 116.57 109.80 1shy h LYS 649 Ca 0.00 -0.20 -0.54 0.00 -1.87 0.00 0.00 60.65 58.04 1shy h LYS 649 Cb 0.00 -0.18 -0.26 0.00 0.08 0.00 0.00 32.23 31.87 1shy h LYS 649 CO 0.00 0.91 -0.83 0.08 -0.57 0.00 0.00 179.45 179.04 1shy s VAL 650 N -5.57 1.50 -0.12 0.50 1.01 -1.26 -5.14 120.40 111.32 1shy s VAL 650 Ca -0.12 -1.12 0.02 0.00 0.00 0.00 0.00 61.98 60.75 1shy s VAL 650 Cb 0.15 -1.31 0.01 0.00 0.00 0.00 0.00 36.38 35.23 1shy s VAL 650 CO 0.83 0.16 -0.17 -0.89 0.00 0.00 0.00 175.10 175.03 1shy s THR 651 N -0.79 1.64 0.10 3.92 2.01 -1.26 -4.76 115.64 116.50 1shy s THR 651 Ca 0.06 -0.72 -0.26 0.00 0.31 0.00 0.00 61.69 61.08 1shy s THR 651 Cb -0.08 -1.49 -0.07 0.00 0.01 0.00 0.00 72.50 70.87 1shy s THR 651 CO 0.02 0.47 0.81 -0.76 -0.69 0.00 0.00 174.62 174.46 1shy s LEU 652 N 1.00 4.52 0.72 4.42 1.43 -1.26 -5.06 118.68 124.44 1shy s LEU 652 Ca -0.05 1.59 -0.11 0.00 -1.03 0.00 0.00 54.13 54.53 1shy s LEU 652 Cb -0.15 -3.32 0.02 0.00 0.03 0.00 0.00 46.19 42.77 1shy s LEU 652 CO -0.03 0.08 1.07 0.20 0.23 0.00 0.00 176.35 177.90 1shy s ASN 653 N -0.47 5.19 0.00 2.29 0.01 -1.26 -4.90 114.94 115.79 1shy s ASN 653 Ca 0.39 1.49 0.07 0.00 -0.71 0.00 0.00 52.86 54.10 1shy s ASN 653 Cb -0.22 -2.33 0.42 0.00 0.41 0.00 0.00 41.25 39.52 1shy s ASN 653 CO 0.26 -1.55 0.92 -1.84 -1.51 0.00 0.00 177.10 173.38 1shy n GLU 654 N -3.19 0.20 0.00 -0.60 0.28 -1.26 -1.59 120.64 114.48 1shy n GLU 654 Ca 0.07 0.04 0.09 0.00 -0.16 0.00 0.00 57.16 57.20 1shy n GLU 654 Cb 0.55 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 31.92 1shy n GLU 654 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 1shy n SER 655 N -1.05 1.86 -4.80 -1.84 3.41 -1.26 -4.86 113.62 105.08 1shy n SER 655 Ca 0.05 -1.43 -0.26 0.00 -0.26 0.00 0.00 58.87 56.97 1shy n SER 655 Cb 0.03 0.43 -0.05 0.00 -0.26 0.00 0.00 64.21 64.36 1shy n SER 655 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1shy s GLU 656 N -2.08 2.91 -0.00 4.33 2.02 -0.62 -0.42 118.70 124.84 1shy s GLU 656 Ca 0.16 -0.87 -0.04 0.00 0.02 0.00 0.00 54.97 54.25 1shy s GLU 656 Cb 0.15 -2.65 -0.00 0.00 0.10 0.00 0.00 34.13 31.73 1shy s GLU 656 CO 0.45 0.48 0.07 -1.50 0.02 0.00 0.00 175.26 174.79 1shy s ILE 657 N -1.75 0.07 0.02 -1.63 2.07 0.73 -4.59 121.20 116.12 1shy s ILE 657 Ca 0.31 -0.56 0.04 0.00 -1.41 0.00 0.00 60.65 59.03 1shy s ILE 657 Cb -0.10 -0.29 -0.03 0.00 0.13 0.00 0.00 42.46 42.16 1shy s ILE 657 CO 0.23 -0.31 -0.09 0.00 -1.91 0.00 0.00 174.94 172.86 1shy s ALA 659 N -1.01 -0.86 0.21 0.00 0.00 -0.05 -1.55 121.76 118.51 1shy s ALA 659 Ca 0.17 1.12 -0.03 0.00 0.00 0.00 0.00 51.96 53.22 1shy s ALA 659 Cb -0.11 -0.67 -0.03 0.00 0.00 0.00 0.00 23.12 22.31 1shy s ALA 659 CO 0.08 -0.20 0.21 0.20 0.00 0.00 0.00 175.76 176.05 1shy s GLY 660 N 0.66 1.27 0.12 0.00 0.00 -0.52 -0.58 107.32 108.27 1shy s GLY 660 Ca -0.04 -1.53 0.03 0.00 0.00 0.00 0.00 44.72 43.18 1shy s GLY 660 CO -0.04 -1.23 0.16 0.00 0.00 0.00 0.00 173.10 171.98 1shy s ALA 661 N -4.10 3.71 -0.12 3.20 0.00 -1.26 0.44 121.76 123.63 1shy s ALA 661 Ca 0.35 -1.06 -0.29 0.00 0.00 0.00 0.00 51.96 50.96 1shy s ALA 661 Cb 0.05 -1.53 -0.03 0.00 0.00 0.00 0.00 23.12 21.60 1shy s ALA 661 CO 0.12 0.63 1.48 -2.00 0.00 0.00 0.00 175.76 175.99 1shy s GLU 662 N -2.83 4.17 0.00 0.00 2.12 -1.26 -3.99 118.70 116.92 1shy s GLU 662 Ca 0.32 1.91 0.00 0.00 0.36 0.00 0.00 54.97 57.56 1shy s GLU 662 Cb -0.11 -3.89 0.00 0.00 0.26 0.00 0.00 34.13 30.38 1shy s GLU 662 CO 0.25 -0.82 0.00 1.63 -0.54 0.00 0.00 175.26 175.77 1shy n LYS 663 N 6.95 0.00 -4.66 4.30 4.76 -1.26 -4.96 118.16 123.30 1shy n LYS 663 Ca 0.16 0.00 -0.30 0.00 -2.87 0.00 0.00 58.31 55.30 1shy n LYS 663 Cb 0.44 -3.28 -0.09 0.00 -1.84 0.00 0.00 35.03 30.26 1shy n LYS 663 CO 0.00 0.00 0.00 0.96 -1.37 0.00 0.00 177.40 176.99 1shy s ILE 664 N -2.16 1.29 -0.36 -0.18 -4.36 -1.26 -4.43 121.20 109.74 1shy s ILE 664 Ca 0.00 -2.00 -0.13 0.00 -0.26 0.00 0.00 60.65 58.26 1shy s ILE 664 Cb 0.00 -2.47 -0.00 0.00 1.25 0.00 0.00 42.46 41.24 1shy s ILE 664 CO 0.00 0.00 0.25 -0.83 0.24 0.00 0.00 174.94 174.60 1shy s GLY 665 N -3.76 1.97 0.20 6.27 0.00 -1.26 -2.68 107.32 108.05 1shy s GLY 665 Ca 0.19 -1.50 -0.13 0.00 0.00 0.00 0.00 44.72 43.28 1shy s GLY 665 CO 0.10 0.81 0.41 -1.35 0.00 0.00 0.00 173.10 173.08 1shy s SER 666 N 1.69 -0.09 0.00 1.64 1.04 -1.26 -4.62 113.70 112.10 1shy s SER 666 Ca 0.05 -0.77 0.00 0.00 0.48 0.00 0.00 55.95 55.71 1shy s SER 666 Cb -0.18 0.52 0.00 0.00 0.10 0.00 0.00 66.02 66.46 1shy s SER 666 CO 0.10 -1.01 0.00 0.61 0.98 0.00 0.00 173.24 173.91 1shy n GLY 667 N -0.30 3.21 3.81 7.32 0.00 -0.18 -4.30 105.19 114.75 1shy n GLY 667 Ca -0.06 -1.72 -0.29 0.00 0.00 0.00 0.00 46.02 43.94 1shy n GLY 667 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1shy s PRO 668 N -2.00 0.69 0.00 1.61 0.04 -1.26 -0.50 135.00 133.58 1shy s PRO 668 Ca 0.00 -0.02 0.00 0.00 0.04 0.00 0.00 61.00 61.02 1shy s PRO 668 Cb 0.00 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 32.73 1shy s PRO 668 CO 0.00 -2.44 0.00 0.00 0.04 0.00 0.00 177.00 174.60 1shy n GLU 670 N 0.00 0.91 -0.11 0.00 -0.58 -1.26 -0.65 120.64 118.95 1shy n GLU 670 Ca 0.00 0.32 0.00 0.00 -0.42 0.00 0.00 57.16 57.06 1shy n GLU 670 Cb 0.00 -1.66 0.00 0.00 -0.57 0.00 0.00 31.44 29.21 1shy n GLU 670 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1shy n GLY 671 N 1.69 2.61 0.10 0.62 0.00 -1.26 -0.78 105.19 108.17 1shy n GLY 671 Ca 0.14 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.25 1shy n GLY 671 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1shy n ASP 672 N 0.00 0.75 -4.71 1.61 8.00 0.18 -3.31 116.55 119.07 1shy n ASP 672 Ca 0.00 0.30 -0.39 0.00 0.71 0.00 0.00 54.79 55.41 1shy n ASP 672 Cb 0.00 0.57 0.04 0.00 -0.02 0.00 0.00 41.12 41.70 1shy n ASP 672 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1shy n TYR 673 N -2.67 2.05 0.00 1.24 4.01 -1.25 -1.91 117.16 118.64 1shy n TYR 673 Ca -0.02 0.45 0.00 0.00 -0.16 0.00 0.00 57.90 58.17 1shy n TYR 673 Cb 0.61 -2.34 0.00 0.00 -0.31 0.00 0.00 39.34 37.30 1shy n TYR 673 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1shy n GLY 674 N 0.84 3.03 3.72 2.72 0.00 0.10 -0.36 105.19 115.26 1shy n GLY 674 Ca 0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 1shy n GLY 674 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1shy s GLY 675 N -2.18 2.17 0.26 -0.02 0.00 -0.80 -3.50 107.32 103.25 1shy s GLY 675 Ca 0.00 0.75 -0.27 0.00 0.00 0.00 0.00 44.72 45.20 1shy s GLY 675 CO 0.00 1.15 0.91 2.56 0.00 0.00 0.00 173.10 177.72 1shy s PRO 676 N -4.13 4.69 -0.25 2.90 0.04 -1.26 -0.11 135.00 136.88 1shy s PRO 676 Ca 0.71 1.35 -0.14 0.00 0.04 0.00 0.00 61.00 62.96 1shy s PRO 676 Cb -0.26 -3.08 -0.04 0.00 0.04 0.00 0.00 34.50 31.16 1shy s PRO 676 CO 0.48 0.43 0.34 -1.17 0.04 0.00 0.00 177.00 177.12 1shy s LEU 677 N -1.55 4.07 -0.08 -3.56 2.96 -0.04 -3.60 118.68 116.88 1shy s LEU 677 Ca 0.44 0.30 0.04 0.00 -0.22 0.00 0.00 54.13 54.69 1shy s LEU 677 Cb -0.22 -2.38 -0.01 0.00 0.50 0.00 0.00 46.19 44.07 1shy s LEU 677 CO 0.28 -0.12 -0.22 0.54 -1.32 0.00 0.00 176.35 175.51 1shy s VAL 678 N 1.74 2.30 0.44 1.68 0.11 0.23 -1.42 120.40 125.48 1shy s VAL 678 Ca 0.14 -0.96 0.04 0.00 -2.93 0.00 0.00 61.98 58.27 1shy s VAL 678 Cb -0.15 -1.87 -0.05 0.00 -1.53 0.00 0.00 36.38 32.78 1shy s VAL 678 CO 0.09 0.56 0.02 0.00 -3.33 0.00 0.00 175.10 172.44 1shy s GLU 680 N -3.79 0.62 0.00 0.00 -1.05 -1.25 -2.38 118.70 110.86 1shy s GLU 680 Ca 0.23 -0.09 0.00 0.00 -0.15 0.00 0.00 54.97 54.96 1shy s GLU 680 Cb 0.06 0.28 0.00 0.00 -0.44 0.00 0.00 34.13 34.03 1shy s GLU 680 CO 0.12 -0.16 0.00 0.00 0.95 0.00 0.00 175.26 176.16 1shy n GLN 681 N 1.53 0.00 -0.23 -4.83 0.00 -1.26 -4.68 117.38 107.91 1shy n GLN 681 Ca -0.20 0.00 -0.13 0.00 0.00 0.00 0.00 57.00 56.67 1shy n GLN 681 Cb 0.56 0.00 -0.10 0.00 0.00 0.00 0.00 30.24 30.71 1shy n GLN 681 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 1shy h HIS 682 N 0.00 -1.75 0.00 2.61 3.86 -2.03 -3.44 115.15 114.41 1shy h HIS 682 Ca 0.00 0.10 0.00 0.00 -1.16 0.00 0.00 60.37 59.31 1shy h HIS 682 Cb 0.00 0.84 0.00 0.00 1.06 0.00 0.00 27.41 29.31 1shy h HIS 682 CO 0.00 -0.45 0.00 1.17 0.86 0.00 0.00 177.93 179.51 1shy n LYS 683 N -5.34 0.00 -1.63 2.45 4.81 -1.26 -5.17 118.16 112.02 1shy n LYS 683 Ca -0.01 0.00 -0.06 0.00 -0.87 0.00 0.00 58.31 57.37 1shy n LYS 683 Cb 0.32 0.00 0.02 0.00 0.02 0.00 0.00 35.03 35.39 1shy n LYS 683 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1shy n MET 684 N -2.77 0.89 -3.65 1.64 0.00 -1.26 -5.08 117.12 106.89 1shy n MET 684 Ca 0.00 -0.97 -0.36 0.00 0.00 0.00 0.00 57.70 56.37 1shy n MET 684 Cb 0.00 -0.07 -0.08 0.00 0.00 0.00 0.00 33.22 33.08 1shy n MET 684 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 175.97 177.00 1shy s ARG 685 N -2.81 4.20 0.01 3.17 3.00 -1.26 -4.17 118.95 121.08 1shy s ARG 685 Ca 0.19 -0.08 0.08 0.00 0.00 0.00 0.00 55.73 55.91 1shy s ARG 685 Cb -0.01 -3.41 -0.02 0.00 0.00 0.00 0.00 34.95 31.50 1shy s ARG 685 CO 0.12 0.29 -0.23 -1.64 0.00 0.00 0.00 175.30 173.84 1shy s MET 686 N 0.36 1.69 -0.13 3.54 -1.94 -1.00 -3.21 119.30 118.61 1shy s MET 686 Ca 0.12 -0.91 -0.29 0.00 -1.71 0.00 0.00 55.69 52.90 1shy s MET 686 Cb -0.12 -1.73 -0.02 0.00 2.01 0.00 0.00 34.83 34.97 1shy s MET 686 CO 0.01 0.46 1.17 0.54 -0.01 0.00 0.00 175.02 177.19 1shy s VAL 687 N -0.67 4.40 -0.01 -6.03 0.11 -0.96 -2.65 120.40 114.59 1shy s VAL 687 Ca 0.09 1.70 0.03 0.00 -2.93 0.00 0.00 61.98 60.87 1shy s VAL 687 Cb -0.09 -4.09 -0.04 0.00 -1.53 0.00 0.00 36.38 30.62 1shy s VAL 687 CO 0.01 -0.07 0.05 0.18 -3.33 0.00 0.00 175.10 171.93 1shy n LEU 688 N 5.83 0.00 -4.10 2.54 4.32 -0.51 -4.43 117.00 120.65 1shy n LEU 688 Ca 0.12 0.00 -0.07 0.00 -0.02 0.00 0.00 56.01 56.04 1shy n LEU 688 Cb 0.46 0.02 -0.10 0.00 -1.62 0.00 0.00 43.42 42.18 1shy n LEU 688 CO 0.54 0.02 -0.36 -0.83 -1.22 0.00 0.00 177.39 175.55 1shy s GLY 689 N -2.68 0.50 -0.13 -0.72 0.00 -1.12 -2.29 107.32 100.88 1shy s GLY 689 Ca -0.01 -1.23 0.02 0.00 0.00 0.00 0.00 44.72 43.51 1shy s GLY 689 CO 0.12 -1.33 -0.21 0.14 0.00 0.00 0.00 173.10 171.83 1shy s VAL 690 N -3.92 2.23 0.05 1.40 1.01 -0.78 -0.87 120.40 119.54 1shy s VAL 690 Ca 0.08 -0.94 -0.31 0.00 0.00 0.00 0.00 61.98 60.82 1shy s VAL 690 Cb 0.08 -1.89 -0.08 0.00 0.00 0.00 0.00 36.38 34.49 1shy s VAL 690 CO -0.09 0.55 1.59 -0.63 0.00 0.00 0.00 175.10 176.51 1shy s ILE 691 N 0.61 3.20 0.27 2.22 1.01 0.84 -2.34 121.20 127.00 1shy s ILE 691 Ca -0.11 0.63 0.06 0.00 0.00 0.00 0.00 60.65 61.23 1shy s ILE 691 Cb -0.16 -3.41 -0.06 0.00 0.01 0.00 0.00 42.46 38.84 1shy s ILE 691 CO 0.03 -0.00 -0.04 0.68 0.00 0.00 0.00 174.94 175.61 1shy s VAL 692 N 2.57 1.49 0.47 2.92 -7.23 -1.26 0.03 120.40 119.39 1shy s VAL 692 Ca 0.71 -2.10 -0.24 0.00 -1.81 0.00 0.00 61.98 58.54 1shy s VAL 692 Cb -0.38 -2.44 -0.08 0.00 0.56 0.00 0.00 36.38 34.05 1shy s VAL 692 CO 0.31 -0.30 1.30 -2.65 -0.31 0.00 0.00 175.10 173.45 1shy n PRO 693 N -0.55 1.87 0.00 4.82 -0.02 -1.26 -4.95 135.00 134.90 1shy n PRO 693 Ca -0.05 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 1shy n PRO 693 Cb 0.64 -2.45 0.00 0.00 -0.02 0.00 0.00 33.50 31.66 1shy n PRO 693 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1shy n GLY 694 N 0.79 2.25 0.65 -1.23 0.00 -1.26 -5.03 105.19 101.37 1shy n GLY 694 Ca 0.08 -1.98 0.05 0.00 0.00 0.00 0.00 46.02 44.17 1shy n GLY 694 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1shy n ARG 695 N 0.00 1.88 0.00 1.61 1.74 -1.26 -5.02 116.66 115.61 1shy n ARG 695 Ca 0.00 -2.94 0.00 0.00 -0.77 0.00 0.00 57.85 54.14 1shy n ARG 695 Cb 0.00 -1.69 0.00 0.00 -1.02 0.00 0.00 32.46 29.75 1shy n ARG 695 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1shy n GLY 696 N -1.07 4.81 3.84 -0.13 0.00 -1.26 -5.08 105.19 106.29 1shy n GLY 696 Ca 0.22 -1.11 -0.34 0.00 0.00 0.00 0.00 46.02 44.79 1shy n GLY 696 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1shy n ALA 698 N 0.28 -1.59 -2.46 0.00 0.00 -1.26 -4.85 120.51 110.64 1shy n ALA 698 Ca -0.00 -0.23 -0.43 0.00 0.00 0.00 0.00 53.44 52.78 1shy n ALA 698 Cb 0.52 -0.66 -0.02 0.00 0.00 0.00 0.00 19.45 19.29 1shy n ALA 698 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1shy s ILE 699 N -3.87 4.29 0.08 0.00 1.09 -1.26 -4.39 121.20 117.13 1shy s ILE 699 Ca 0.08 1.59 -0.34 0.00 -1.10 0.00 0.00 60.65 60.87 1shy s ILE 699 Cb -0.04 -4.02 -0.14 0.00 -1.06 0.00 0.00 42.46 37.20 1shy s ILE 699 CO 0.48 -0.06 1.63 -2.65 -0.10 0.00 0.00 174.94 174.25 1shy n PRO 700 N 5.79 2.02 -1.99 2.79 -0.02 -1.26 -2.29 135.00 140.03 1shy n PRO 700 Ca 0.12 0.73 -0.15 0.00 -2.02 0.00 0.00 63.50 62.19 1shy n PRO 700 Cb 0.46 -2.50 -0.03 0.00 -0.02 0.00 0.00 33.50 31.41 1shy n PRO 700 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1shy n ASN 701 N 4.18 -4.57 -3.87 2.55 5.15 -1.09 -4.90 115.26 112.71 1shy n ASN 701 Ca 0.19 0.11 -0.30 0.00 -0.60 0.00 0.00 54.58 53.98 1shy n ASN 701 Cb 0.27 -3.60 -0.15 0.00 -0.53 0.00 0.00 39.78 35.77 1shy n ASN 701 CO 0.00 0.00 0.00 -0.60 1.40 0.00 0.00 177.26 178.06 1shy s ARG 702 N -4.23 1.23 0.90 1.20 3.52 -0.97 -4.97 118.95 115.63 1shy s ARG 702 Ca 0.00 -1.12 -0.10 0.00 -0.13 0.00 0.00 55.73 54.38 1shy s ARG 702 Cb 0.00 -2.48 0.14 0.00 -1.56 0.00 0.00 34.95 31.05 1shy s ARG 702 CO 0.00 -0.78 1.12 -1.25 -0.81 0.00 0.00 175.30 173.58 1shy s PRO 703 N 1.42 1.12 0.06 5.12 0.04 -1.26 -4.67 135.00 136.83 1shy s PRO 703 Ca 0.02 1.37 -0.19 0.00 0.04 0.00 0.00 61.00 62.24 1shy s PRO 703 Cb -0.18 -1.75 -0.06 0.00 0.04 0.00 0.00 34.50 32.54 1shy s PRO 703 CO -0.12 -2.50 0.57 0.20 0.04 0.00 0.00 177.00 175.18 1shy s GLY 704 N -2.85 2.66 -0.21 0.56 0.00 0.25 -4.90 107.32 102.83 1shy s GLY 704 Ca 0.66 0.03 -0.09 0.00 0.00 0.00 0.00 44.72 45.32 1shy s GLY 704 CO 0.58 0.50 0.11 -1.50 0.00 0.00 0.00 173.10 172.78 1shy s ILE 705 N -0.99 5.03 0.45 0.90 -1.16 -1.26 -0.87 121.20 123.31 1shy s ILE 705 Ca 0.29 0.06 0.06 0.00 -0.51 0.00 0.00 60.65 60.55 1shy s ILE 705 Cb -0.19 -3.31 -0.03 0.00 0.61 0.00 0.00 42.46 39.53 1shy s ILE 705 CO 0.19 0.41 0.15 -0.36 -2.81 0.00 0.00 174.94 172.51 1shy s PHE 706 N 0.73 2.29 -0.21 3.50 0.08 0.33 -4.69 117.98 120.00 1shy s PHE 706 Ca 0.06 -0.72 -0.18 0.00 0.12 0.00 0.00 56.93 56.21 1shy s PHE 706 Cb -0.13 -1.85 -0.03 0.00 -0.57 0.00 0.00 43.02 40.44 1shy s PHE 706 CO 0.02 0.14 0.50 0.54 -0.10 0.00 0.00 175.22 176.31 1shy s VAL 707 N -2.70 5.12 -0.14 -0.44 0.11 -0.99 -0.20 120.40 121.16 1shy s VAL 707 Ca 0.32 0.91 -0.29 0.00 -2.93 0.00 0.00 61.98 59.99 1shy s VAL 707 Cb 0.04 -3.82 -0.06 0.00 -1.53 0.00 0.00 36.38 31.00 1shy s VAL 707 CO 0.18 0.18 2.09 -0.60 -3.33 0.00 0.00 175.10 173.61 1shy s ARG 708 N 1.66 3.51 0.14 1.54 3.52 0.44 -1.86 118.95 127.89 1shy s ARG 708 Ca 0.23 2.19 -0.10 0.00 -0.13 0.00 0.00 55.73 57.92 1shy s ARG 708 Cb -0.15 -4.28 -0.05 0.00 -1.56 0.00 0.00 34.95 28.90 1shy s ARG 708 CO 0.09 -1.67 1.41 0.28 -0.81 0.00 0.00 175.30 174.60 1shy h VAL 709 N 6.58 1.29 -1.07 7.11 2.07 -1.76 -3.11 116.25 127.35 1shy h VAL 709 Ca -0.43 -1.80 0.28 0.00 0.82 0.00 0.00 66.70 65.57 1shy h VAL 709 Cb 1.23 1.73 -0.09 0.00 -1.52 0.00 0.00 31.29 32.64 1shy h VAL 709 CO 0.96 0.58 0.69 0.00 0.02 0.00 0.00 177.57 179.82 1shy h ALA 710 N 0.73 2.32 0.00 1.67 0.00 -1.86 0.63 119.26 122.75 1shy h ALA 710 Ca -0.00 0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 1shy h ALA 710 Cb 1.20 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 1shy h ALA 710 CO 0.13 -0.74 -0.22 -0.92 0.00 0.00 0.00 179.25 177.49 1shy h TYR 711 N 0.34 0.00 -0.20 0.00 3.20 -1.72 -3.01 116.97 115.58 1shy h TYR 711 Ca 0.61 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.48 1shy h TYR 711 Cb 1.63 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.90 1shy h TYR 711 CO -0.00 0.22 0.00 0.66 -1.64 0.00 0.00 178.16 177.40 1shy n TYR 712 N -3.75 0.26 -0.33 -3.82 4.01 0.21 -4.76 117.16 108.97 1shy n TYR 712 Ca -0.01 -0.26 -0.03 0.00 -0.16 0.00 0.00 57.90 57.43 1shy n TYR 712 Cb 0.33 -0.01 0.11 0.00 -0.31 0.00 0.00 39.34 39.45 1shy n TYR 712 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1shy h ALA 713 N 2.20 1.20 0.16 -0.72 0.00 -1.05 -0.59 119.26 120.46 1shy h ALA 713 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1shy h ALA 713 Cb 0.62 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1shy h ALA 713 CO 0.00 0.65 -0.33 -0.22 0.00 0.00 0.00 179.25 179.35 1shy h LYS 714 N 1.25 -0.51 -0.50 0.00 3.64 -1.86 0.13 116.57 118.72 1shy h LYS 714 Ca 0.32 0.03 0.10 0.00 -1.27 0.00 0.00 60.65 59.83 1shy h LYS 714 Cb 0.00 0.12 -0.09 0.00 -0.41 0.00 0.00 32.23 31.85 1shy h LYS 714 CO -0.05 -0.34 -0.12 2.35 -2.27 0.00 0.00 179.45 179.02 1shy h TRP 715 N -0.53 -0.25 -0.52 1.91 7.01 -1.74 0.45 115.95 122.28 1shy h TRP 715 Ca -0.02 0.04 0.09 0.00 2.11 0.00 0.00 58.89 61.12 1shy h TRP 715 Cb 0.50 0.19 -0.07 0.00 -2.10 0.00 0.00 29.16 27.68 1shy h TRP 715 CO -0.33 -0.21 0.11 0.82 -2.79 0.00 0.00 178.44 176.04 1shy h ILE 716 N 0.01 0.71 -0.59 2.65 2.04 -0.74 -2.20 117.51 119.38 1shy h ILE 716 Ca 0.24 -0.08 -0.02 0.00 1.00 0.00 0.00 64.86 66.00 1shy h ILE 716 Cb 0.37 0.44 -0.03 0.00 -0.74 0.00 0.00 36.82 36.86 1shy h ILE 716 CO -0.51 0.04 0.31 0.45 0.00 0.00 0.00 178.15 178.44 1shy h HIS 717 N 0.25 0.83 0.00 1.37 3.86 0.14 0.10 115.15 121.69 1shy h HIS 717 Ca 0.26 -0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.44 1shy h HIS 717 Cb 0.36 -0.26 0.00 0.00 1.06 0.00 0.00 27.41 28.57 1shy h HIS 717 CO -0.23 0.61 0.00 -0.22 0.86 0.00 0.00 177.93 178.95 1shy h LYS 718 N 0.80 0.00 0.07 2.45 3.64 -0.68 0.11 116.57 122.96 1shy h LYS 718 Ca 0.21 0.00 -0.31 0.00 -1.27 0.00 0.00 60.65 59.27 1shy h LYS 718 Cb 0.08 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.87 1shy h LYS 718 CO -0.03 0.00 -1.71 -0.89 -2.27 0.00 0.00 179.45 174.55 1shy n ILE 719 N -2.53 1.67 0.04 2.00 2.08 -0.64 -4.69 119.36 117.29 1shy n ILE 719 Ca 0.01 -0.38 -0.22 0.00 0.56 0.00 0.00 62.75 62.71 1shy n ILE 719 Cb 0.19 -1.87 -0.14 0.00 -0.75 0.00 0.00 39.64 37.07 1shy n ILE 719 CO 0.00 0.00 0.00 0.16 0.56 0.00 0.00 176.55 177.27 1shy h ILE 720 N -0.41 0.77 -3.21 1.39 -0.00 -0.63 -3.45 117.51 111.97 1shy h ILE 720 Ca -0.40 -2.42 -0.53 0.00 -0.00 0.00 0.00 64.86 61.51 1shy h ILE 720 Cb 1.72 2.62 0.02 0.00 -0.00 0.00 0.00 36.82 41.19 1shy h ILE 720 CO -0.05 0.88 0.67 -0.76 -0.00 0.00 0.00 178.15 178.89 1shy s LEU 721 N -7.15 4.39 0.00 0.16 1.02 0.36 -5.07 118.68 112.39 1shy s LEU 721 Ca -0.19 2.32 0.00 0.00 0.02 0.00 0.00 54.13 56.27 1shy s LEU 721 Cb 0.06 -3.60 0.00 0.00 0.02 0.00 0.00 46.19 42.67 1shy s LEU 721 CO 0.81 -0.56 0.00 1.07 0.02 0.00 0.00 176.35 177.68