#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1io8 s TYR 502 N 0.00 3.23 -0.36 1.12 5.04 -1.26 -4.98 117.35 120.14 1io8 s TYR 502 Ca 0.00 0.97 -0.02 0.00 -2.44 0.00 0.00 57.07 55.58 1io8 s TYR 502 Cb 0.00 -3.69 0.08 0.00 0.35 0.00 0.00 41.96 38.70 1io8 s TYR 502 CO 0.00 -2.37 0.11 0.34 -1.34 0.00 0.00 175.55 172.28 1io8 s ASP 503 N 0.98 5.08 0.16 4.32 2.15 -1.26 -4.99 116.67 123.12 1io8 s ASP 503 Ca 0.64 -1.69 -0.15 0.00 0.43 0.00 0.00 52.55 51.78 1io8 s ASP 503 Cb -0.37 -1.77 0.10 0.00 -0.30 0.00 0.00 42.92 40.58 1io8 s ASP 503 CO 0.32 -0.41 1.74 -0.25 -0.17 0.00 0.00 175.17 176.40 1io8 h TRP 504 N 8.01 0.20 -0.90 -5.34 7.01 -2.01 -1.95 115.95 120.97 1io8 h TRP 504 Ca -0.16 0.02 0.14 0.00 2.11 0.00 0.00 58.89 61.00 1io8 h TRP 504 Cb 1.05 -0.03 -0.07 0.00 -2.10 0.00 0.00 29.16 28.01 1io8 h TRP 504 CO 0.57 0.06 0.58 0.74 -2.79 0.00 0.00 178.44 177.60 1io8 h PHE 505 N 0.26 0.86 -0.20 2.65 0.04 -1.99 -2.33 116.94 116.24 1io8 h PHE 505 Ca 0.19 0.02 -0.08 0.00 2.80 0.00 0.00 57.97 60.90 1io8 h PHE 505 Cb 0.20 -0.27 -0.00 0.00 2.20 0.00 0.00 35.95 38.07 1io8 h PHE 505 CO -0.17 0.32 -0.19 1.03 -0.60 0.00 0.00 178.31 178.70 1io8 h SER 506 N 0.73 0.51 -0.26 2.17 0.87 -1.77 0.40 113.55 116.20 1io8 h SER 506 Ca 0.45 -0.48 -0.02 0.00 -1.23 0.00 0.00 61.79 60.51 1io8 h SER 506 Cb 0.68 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.49 1io8 h SER 506 CO -0.21 0.88 0.08 -0.08 -0.53 0.00 0.00 176.83 176.97 1io8 h GLU 507 N 0.15 0.41 -0.35 2.24 4.57 -1.28 -3.02 114.58 117.30 1io8 h GLU 507 Ca 0.03 -0.09 -0.11 0.00 -1.18 0.00 0.00 59.36 58.01 1io8 h GLU 507 Cb 0.74 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.26 1io8 h GLU 507 CO 0.05 0.49 -0.22 0.52 -1.18 0.00 0.00 179.01 178.66 1io8 h MET 508 N 0.25 0.69 -0.57 1.92 2.86 -1.47 0.48 114.93 119.09 1io8 h MET 508 Ca 0.08 -0.27 0.13 0.00 -2.06 0.00 0.00 59.70 57.58 1io8 h MET 508 Cb 0.25 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 31.85 1io8 h MET 508 CO -0.00 0.86 0.39 0.00 1.06 0.00 0.00 176.91 179.22 1io8 h ARG 509 N 0.61 0.20 0.00 1.72 3.08 -0.79 1.09 114.38 120.29 1io8 h ARG 509 Ca 0.09 -0.01 -0.04 0.00 0.07 0.00 0.00 59.98 60.08 1io8 h ARG 509 Cb 0.70 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.70 1io8 h ARG 509 CO 0.05 0.13 -0.46 -0.22 -1.07 0.00 0.00 179.97 178.40 1io8 h LYS 510 N 0.21 0.00 -0.08 0.04 3.64 -1.32 -3.34 116.57 115.72 1io8 h LYS 510 Ca 0.27 0.00 -0.22 0.00 -1.27 0.00 0.00 60.65 59.43 1io8 h LYS 510 Cb 0.78 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.62 1io8 h LYS 510 CO -0.05 0.29 -0.80 0.87 -2.27 0.00 0.00 179.45 177.49 1io8 h LYS 511 N -1.00 0.69 -1.83 1.90 1.57 -0.80 -3.42 116.57 113.67 1io8 h LYS 511 Ca -0.07 -0.63 -0.51 0.00 -1.87 0.00 0.00 60.65 57.58 1io8 h LYS 511 Cb 0.58 0.15 -0.35 0.00 0.08 0.00 0.00 32.23 32.69 1io8 h LYS 511 CO -0.04 1.23 -0.96 -0.25 -0.57 0.00 0.00 179.45 178.86 1io8 n ASP 512 N -3.99 -0.60 0.00 0.86 8.00 0.37 -5.03 116.55 116.16 1io8 n ASP 512 Ca -0.09 -2.67 0.00 0.00 0.71 0.00 0.00 54.79 52.74 1io8 n ASP 512 Cb 0.76 -0.20 0.00 0.00 -0.02 0.00 0.00 41.12 41.66 1io8 n ASP 512 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 1io8 n PRO 513 N 1.97 0.00 -3.10 -0.24 -0.04 -0.68 -4.10 135.00 128.81 1io8 n PRO 513 Ca 0.22 0.64 -0.40 0.00 -0.04 0.00 0.00 63.50 63.92 1io8 n PRO 513 Cb 0.53 -1.38 -0.05 0.00 -0.04 0.00 0.00 33.50 32.56 1io8 n PRO 513 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1io8 s VAL 514 N -2.51 5.04 0.00 0.52 -7.23 -1.26 -1.21 120.40 113.75 1io8 s VAL 514 Ca 0.00 1.27 0.01 0.00 -1.81 0.00 0.00 61.98 61.45 1io8 s VAL 514 Cb 0.00 -3.97 -0.00 0.00 0.56 0.00 0.00 36.38 32.96 1io8 s VAL 514 CO 0.00 0.17 -0.03 -0.47 -0.31 0.00 0.00 175.10 174.46 1io8 s TYR 515 N 1.45 0.28 -0.26 2.82 5.04 0.25 -4.92 117.35 122.01 1io8 s TYR 515 Ca 0.32 -0.11 -0.08 0.00 -2.44 0.00 0.00 57.07 54.75 1io8 s TYR 515 Cb -0.16 -0.18 -0.03 0.00 0.35 0.00 0.00 41.96 41.93 1io8 s TYR 515 CO 0.13 -0.02 0.10 -0.47 -1.34 0.00 0.00 175.55 173.95 1io8 s TYR 516 N -0.24 3.12 -1.41 4.97 5.04 -1.26 0.60 117.35 128.17 1io8 s TYR 516 Ca -0.01 -0.30 0.19 0.00 -2.44 0.00 0.00 57.07 54.51 1io8 s TYR 516 Cb -0.02 -2.28 0.61 0.00 0.35 0.00 0.00 41.96 40.61 1io8 s TYR 516 CO -0.00 -0.32 1.51 -0.40 -1.34 0.00 0.00 175.55 175.00 1io8 n ASP 517 N 4.96 4.04 0.00 4.32 5.75 -1.11 -4.96 116.55 129.55 1io8 n ASP 517 Ca -0.15 -2.20 0.00 0.00 -0.01 0.00 0.00 54.79 52.43 1io8 n ASP 517 Cb 0.51 -0.48 0.00 0.00 -1.03 0.00 0.00 41.12 40.13 1io8 n ASP 517 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1io8 n GLY 518 N 1.17 0.47 0.00 6.12 0.00 -1.26 -4.85 105.19 106.84 1io8 n GLY 518 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 1io8 n GLY 518 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1io8 n ASN 519 N 0.00 0.00 -3.88 1.61 2.04 -1.26 -5.12 115.26 108.65 1io8 n ASN 519 Ca 0.00 0.00 -0.10 0.00 -0.44 0.00 0.00 54.58 54.04 1io8 n ASN 519 Cb 0.00 0.00 -0.09 0.00 -2.53 0.00 0.00 39.78 37.16 1io8 n ASN 519 CO 0.00 0.00 0.00 0.27 -0.44 0.00 0.00 177.26 177.09 1io8 s ILE 520 N -0.20 0.12 0.21 1.53 -4.36 -1.26 -4.81 121.20 112.43 1io8 s ILE 520 Ca 0.00 -1.01 -0.14 0.00 -0.26 0.00 0.00 60.65 59.25 1io8 s ILE 520 Cb 0.00 -0.97 -0.08 0.00 1.25 0.00 0.00 42.46 42.67 1io8 s ILE 520 CO 0.00 -0.55 0.60 0.26 0.24 0.00 0.00 174.94 175.49 1io8 s TRP 521 N -2.75 3.52 -0.09 1.37 0.52 -0.90 -2.77 118.94 117.84 1io8 s TRP 521 Ca -0.04 1.08 -0.01 0.00 0.02 0.00 0.00 56.10 57.15 1io8 s TRP 521 Cb -0.00 -2.40 0.03 0.00 -1.15 0.00 0.00 33.47 29.95 1io8 s TRP 521 CO -0.05 0.32 -0.05 -0.65 0.02 0.00 0.00 176.95 176.54 1io8 s GLN 522 N -2.38 1.15 -0.22 4.98 -0.21 0.20 -0.76 119.66 122.42 1io8 s GLN 522 Ca 0.44 -0.12 -0.09 0.00 0.02 0.00 0.00 55.36 55.61 1io8 s GLN 522 Cb -0.13 -1.30 -0.04 0.00 1.00 0.00 0.00 33.01 32.53 1io8 s GLN 522 CO 0.20 -0.25 0.12 0.08 -2.12 0.00 0.00 175.29 173.31 1io8 s VAL 523 N 1.71 5.08 -0.25 1.09 1.01 0.18 0.87 120.40 130.09 1io8 s VAL 523 Ca 0.03 0.08 0.04 0.00 0.00 0.00 0.00 61.98 62.14 1io8 s VAL 523 Cb -0.13 -3.35 -0.04 0.00 0.00 0.00 0.00 36.38 32.86 1io8 s VAL 523 CO -0.06 0.38 0.23 0.18 0.00 0.00 0.00 175.10 175.83 1io8 n LEU 524 N 4.14 0.33 -4.96 3.92 4.77 -0.35 -0.99 117.00 123.86 1io8 n LEU 524 Ca -0.16 -0.55 -0.22 0.00 -0.03 0.00 0.00 56.01 55.05 1io8 n LEU 524 Cb 0.52 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.60 1io8 n LEU 524 CO 0.35 0.08 0.08 -0.94 -1.33 0.00 0.00 177.39 175.62 1io8 s SER 525 N -1.31 6.25 0.24 -1.43 1.04 -1.26 -3.40 113.70 113.82 1io8 s SER 525 Ca 0.02 0.22 0.00 0.00 0.48 0.00 0.00 55.95 56.67 1io8 s SER 525 Cb 0.03 -1.86 0.26 0.00 0.10 0.00 0.00 66.02 64.55 1io8 s SER 525 CO 0.17 -0.23 1.61 0.22 0.98 0.00 0.00 173.24 175.98 1io8 h TYR 526 N 0.93 0.57 -0.14 5.02 3.20 -1.89 -0.71 116.97 123.94 1io8 h TYR 526 Ca -0.50 -0.17 -0.03 0.00 3.14 0.00 0.00 58.73 61.17 1io8 h TYR 526 Cb 1.23 -0.12 -0.00 0.00 1.54 0.00 0.00 36.73 39.37 1io8 h TYR 526 CO 0.47 0.83 -0.03 -0.09 -1.64 0.00 0.00 178.16 177.70 1io8 h ARG 527 N 0.39 0.27 0.00 1.82 2.43 -1.94 -1.53 114.38 115.81 1io8 h ARG 527 Ca 0.03 -0.10 -0.16 0.00 -0.81 0.00 0.00 59.98 58.94 1io8 h ARG 527 Cb 0.91 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.42 1io8 h ARG 527 CO 0.08 0.54 -0.92 1.88 -1.51 0.00 0.00 179.97 180.04 1io8 h TYR 528 N -0.03 0.00 -0.21 2.20 0.99 -1.97 -1.61 116.97 116.35 1io8 h TYR 528 Ca 0.04 0.00 -0.17 0.00 2.00 0.00 0.00 58.73 60.60 1io8 h TYR 528 Cb 0.44 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.17 1io8 h TYR 528 CO 0.05 0.68 -0.52 1.15 -0.00 0.00 0.00 178.16 179.52 1io8 h THR 529 N 0.00 1.31 0.00 -2.88 2.02 -1.19 -0.76 112.91 111.41 1io8 h THR 529 Ca -0.06 -1.74 -0.11 0.00 0.77 0.00 0.00 66.41 65.27 1io8 h THR 529 Cb 1.58 1.85 -0.02 0.00 -1.74 0.00 0.00 68.15 69.82 1io8 h THR 529 CO 0.08 0.55 -0.51 0.50 0.37 0.00 0.00 175.52 176.51 1io8 h LYS 530 N 0.44 0.00 -0.07 6.66 3.64 -1.33 -2.40 116.57 123.51 1io8 h LYS 530 Ca -0.01 0.00 -0.22 0.00 -1.27 0.00 0.00 60.65 59.16 1io8 h LYS 530 Cb 1.14 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.96 1io8 h LYS 530 CO 0.11 0.51 -0.84 1.49 -2.27 0.00 0.00 179.45 178.45 1io8 h GLU 531 N 0.00 0.55 -0.18 1.90 4.81 -1.12 -2.70 114.58 117.84 1io8 h GLU 531 Ca -0.01 -0.50 -0.01 0.00 -0.13 0.00 0.00 59.36 58.71 1io8 h GLU 531 Cb 0.95 0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.45 1io8 h GLU 531 CO 0.07 1.13 0.07 0.28 -0.73 0.00 0.00 179.01 179.82 1io8 h VAL 532 N 0.35 1.17 -0.35 0.32 2.07 -1.02 -2.92 116.25 115.86 1io8 h VAL 532 Ca -0.06 -0.51 -0.06 0.00 0.82 0.00 0.00 66.70 66.89 1io8 h VAL 532 Cb 1.46 1.17 -0.02 0.00 -1.52 0.00 0.00 31.29 32.38 1io8 h VAL 532 CO 0.16 0.16 -0.04 -0.07 0.02 0.00 0.00 177.57 177.79 1io8 h LEU 533 N 0.13 0.54 -0.10 2.57 3.38 -1.46 -3.03 115.31 117.35 1io8 h LEU 533 Ca 0.06 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1io8 h LEU 533 Cb 0.19 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1io8 h LEU 533 CO -0.00 0.64 -0.21 0.59 0.09 0.00 0.00 178.44 179.55 1io8 n ASN 534 N -4.24 0.36 -4.05 -0.43 4.13 -1.02 -4.39 115.26 105.62 1io8 n ASN 534 Ca 0.01 -0.15 -0.36 0.00 1.68 0.00 0.00 54.58 55.76 1io8 n ASN 534 Cb 0.28 -0.09 -0.06 0.00 -1.54 0.00 0.00 39.78 38.37 1io8 n ASN 534 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 1io8 n ASN 535 N -1.29 4.29 0.03 6.41 2.85 -1.11 -4.85 115.26 121.60 1io8 n ASN 535 Ca 0.09 -3.17 -0.02 0.00 -0.11 0.00 0.00 54.58 51.37 1io8 n ASN 535 Cb 0.32 -1.03 0.24 0.00 1.24 0.00 0.00 39.78 40.55 1io8 n ASN 535 CO 0.00 0.00 0.00 2.19 -2.11 0.00 0.00 177.26 177.34 1io8 h PHE 536 N 5.80 0.47 -0.29 1.20 -5.15 -1.77 0.12 116.94 117.33 1io8 h PHE 536 Ca 0.17 -0.09 0.07 0.00 -0.20 0.00 0.00 57.97 57.92 1io8 h PHE 536 Cb 0.78 -0.12 -0.07 0.00 0.22 0.00 0.00 35.95 36.76 1io8 h PHE 536 CO 0.74 0.62 -0.20 1.03 -2.00 0.00 0.00 178.31 178.49 1io8 h SER 537 N 0.39 -0.67 0.33 -0.68 0.87 -1.95 -3.05 113.55 108.78 1io8 h SER 537 Ca 0.06 0.13 -0.33 0.00 -1.23 0.00 0.00 61.79 60.43 1io8 h SER 537 Cb 0.60 0.34 0.01 0.00 -0.44 0.00 0.00 62.40 62.90 1io8 h SER 537 CO 0.04 -0.24 -1.57 0.11 -0.53 0.00 0.00 176.83 174.64 1io8 h LYS 538 N -0.18 0.39 -3.89 2.24 6.56 -1.92 -3.42 116.57 116.34 1io8 h LYS 538 Ca 0.15 -0.66 -0.70 0.00 -1.06 0.00 0.00 60.65 58.38 1io8 h LYS 538 Cb 0.42 0.25 -0.35 0.00 -0.57 0.00 0.00 32.23 31.98 1io8 h LYS 538 CO -0.40 1.29 -0.41 -0.06 -2.06 0.00 0.00 179.45 177.82 1io8 s PHE 539 N -2.60 3.47 0.43 -1.35 0.40 0.02 -0.20 117.98 118.14 1io8 s PHE 539 Ca -0.11 -2.57 -0.21 0.00 -0.60 0.00 0.00 56.93 53.44 1io8 s PHE 539 Cb 0.06 -3.24 -0.10 0.00 0.51 0.00 0.00 43.02 40.25 1io8 s PHE 539 CO 0.88 -0.89 0.98 0.45 0.70 0.00 0.00 175.22 177.34 1io8 s SER 540 N 1.15 6.80 0.00 1.36 0.15 -0.28 -4.29 113.70 118.59 1io8 s SER 540 Ca 0.14 1.79 0.23 0.00 0.70 0.00 0.00 55.95 58.81 1io8 s SER 540 Cb -0.21 -2.55 0.47 0.00 -1.71 0.00 0.00 66.02 62.02 1io8 s SER 540 CO -0.04 -0.46 1.43 -1.20 1.20 0.00 0.00 173.24 174.18 1io8 n SER 541 N -0.59 3.59 -4.35 5.45 7.64 -1.26 -1.37 113.62 122.72 1io8 n SER 541 Ca 0.07 -2.00 -0.43 0.00 1.01 0.00 0.00 58.87 57.52 1io8 n SER 541 Cb 0.53 -0.30 0.00 0.00 -1.01 0.00 0.00 64.21 63.43 1io8 n SER 541 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1io8 n ASP 542 N 1.54 4.96 -0.50 6.43 4.64 -1.26 -3.67 116.55 128.70 1io8 n ASP 542 Ca 0.20 -2.96 0.11 0.00 -1.38 0.00 0.00 54.79 50.77 1io8 n ASP 542 Cb 0.61 -1.63 0.04 0.00 -1.04 0.00 0.00 41.12 39.10 1io8 n ASP 542 CO 0.00 0.00 0.00 0.18 -0.82 0.00 0.00 177.20 176.56 1io8 n LEU 543 N 6.44 2.00 -0.27 -2.67 4.77 -1.26 -4.46 117.00 121.55 1io8 n LEU 543 Ca 0.43 -0.73 0.08 0.00 -0.03 0.00 0.00 56.01 55.77 1io8 n LEU 543 Cb 0.43 -0.01 0.15 0.00 -2.33 0.00 0.00 43.42 41.66 1io8 n LEU 543 CO 0.73 0.37 0.49 0.35 -1.33 0.00 0.00 177.39 178.00 1io8 n THR 544 N 0.01 1.87 -1.20 -5.08 -2.24 -1.26 -4.99 114.28 101.38 1io8 n THR 544 Ca 0.10 -2.44 -0.07 0.00 -2.27 0.00 0.00 64.05 59.37 1io8 n THR 544 Cb 0.47 -0.19 -0.03 0.00 -2.10 0.00 0.00 70.33 68.48 1io8 n THR 544 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1io8 n GLY 545 N -1.25 0.79 0.22 3.38 0.00 -1.26 -4.90 105.19 102.17 1io8 n GLY 545 Ca 0.16 -0.16 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 1io8 n GLY 545 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1io8 h TYR 546 N 0.00 -0.44 0.27 1.61 5.03 -1.83 -0.11 116.97 121.50 1io8 h TYR 546 Ca -0.14 0.03 -0.01 0.00 2.58 0.00 0.00 58.73 61.19 1io8 h TYR 546 Cb 0.82 0.23 0.00 0.00 1.55 0.00 0.00 36.73 39.33 1io8 h TYR 546 CO 0.43 -0.25 -0.13 0.45 -1.32 0.00 0.00 178.16 177.34 1io8 h HIS 547 N -0.18 -0.34 -0.87 -3.82 3.86 -1.90 0.43 115.15 112.33 1io8 h HIS 547 Ca 0.13 -0.01 0.22 0.00 -1.16 0.00 0.00 60.37 59.55 1io8 h HIS 547 Cb 0.37 0.11 -0.05 0.00 1.06 0.00 0.00 27.41 28.90 1io8 h HIS 547 CO -0.33 -0.17 0.60 1.49 0.86 0.00 0.00 177.93 180.38 1io8 h GLU 548 N -0.41 0.19 -0.01 2.45 4.81 -1.89 -2.36 114.58 117.35 1io8 h GLU 548 Ca -0.04 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1io8 h GLU 548 Cb 0.31 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.65 1io8 h GLU 548 CO 0.06 0.12 -0.30 0.54 -0.73 0.00 0.00 179.01 178.71 1io8 n ARG 549 N -4.40 1.70 -0.26 1.92 1.74 -0.08 -4.67 116.66 112.61 1io8 n ARG 549 Ca 0.18 -0.82 -0.12 0.00 -0.77 0.00 0.00 57.85 56.32 1io8 n ARG 549 Cb 0.81 -1.25 -0.10 0.00 -1.02 0.00 0.00 32.46 30.90 1io8 n ARG 549 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 1io8 h LEU 550 N 1.79 -1.97 -0.45 0.55 6.46 0.41 0.23 115.31 122.33 1io8 h LEU 550 Ca 0.00 0.28 0.08 0.00 -0.12 0.00 0.00 57.88 58.12 1io8 h LEU 550 Cb 0.53 0.84 -0.10 0.00 -0.73 0.00 0.00 40.66 41.20 1io8 h LEU 550 CO 0.00 -0.33 -0.35 -0.08 -0.62 0.00 0.00 178.44 177.06 1io8 h GLU 551 N -0.23 -0.24 0.00 1.25 4.81 -1.83 0.34 114.58 118.68 1io8 h GLU 551 Ca 0.11 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.36 1io8 h GLU 551 Cb 0.52 0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.95 1io8 h GLU 551 CO -0.74 -0.16 0.00 -0.44 -0.73 0.00 0.00 179.01 176.94 1io8 h ASP 552 N -0.25 0.00 -0.03 1.04 3.32 -1.64 0.25 116.42 119.11 1io8 h ASP 552 Ca 0.18 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 57.04 1io8 h ASP 552 Cb 0.55 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.11 1io8 h ASP 552 CO -0.58 0.00 -0.72 -0.07 -1.72 0.00 0.00 179.24 176.15 1io8 h LEU 553 N 0.00 0.69 -0.25 1.55 3.38 0.29 -2.27 115.31 118.69 1io8 h LEU 553 Ca 0.00 -0.72 0.00 0.00 0.09 0.00 0.00 57.88 57.25 1io8 h LEU 553 Cb 0.43 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1io8 h LEU 553 CO 0.00 1.31 -0.05 0.54 0.09 0.00 0.00 178.44 180.34 1io8 n ARG 554 N -4.10 0.91 0.00 1.13 5.12 0.59 -3.34 116.66 116.97 1io8 n ARG 554 Ca -0.10 -0.25 0.12 0.00 -1.93 0.00 0.00 57.85 55.69 1io8 n ARG 554 Cb 0.72 -1.49 0.14 0.00 -1.16 0.00 0.00 32.46 30.67 1io8 n ARG 554 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1io8 n ASN 555 N -0.82 1.40 0.00 0.55 3.02 0.80 -4.93 115.26 115.28 1io8 n ASN 555 Ca 0.18 -1.11 0.00 0.00 -0.03 0.00 0.00 54.58 53.62 1io8 n ASN 555 Cb 0.23 0.40 0.00 0.00 -0.61 0.00 0.00 39.78 39.81 1io8 n ASN 555 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1io8 n GLY 556 N 1.41 1.23 0.39 7.41 0.00 -1.17 -4.87 105.19 109.59 1io8 n GLY 556 Ca 0.09 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.94 1io8 n GLY 556 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1io8 h LYS 557 N 2.18 -0.87 -6.50 1.61 6.56 -1.71 -3.37 116.57 114.47 1io8 h LYS 557 Ca 0.00 0.06 -0.56 0.00 -1.06 0.00 0.00 60.65 59.09 1io8 h LYS 557 Cb 0.00 0.20 -0.05 0.00 -0.57 0.00 0.00 32.23 31.81 1io8 h LYS 557 CO 0.00 -0.58 1.08 0.42 -2.06 0.00 0.00 179.45 178.31 1io8 s ILE 558 N -6.04 3.87 0.07 1.86 1.01 -0.90 -4.86 121.20 116.21 1io8 s ILE 558 Ca -0.18 0.85 -0.03 0.00 0.00 0.00 0.00 60.65 61.29 1io8 s ILE 558 Cb 0.04 -4.23 -0.28 0.00 0.01 0.00 0.00 42.46 38.00 1io8 s ILE 558 CO 0.62 -0.83 1.13 0.03 0.00 0.00 0.00 174.94 175.89 1io8 h ARG 559 N 10.89 0.25 -3.08 2.79 3.08 -1.91 -3.46 114.38 122.94 1io8 h ARG 559 Ca -0.27 -0.43 -0.16 0.00 0.07 0.00 0.00 59.98 59.19 1io8 h ARG 559 Cb 1.10 0.16 -0.25 0.00 0.08 0.00 0.00 29.97 31.06 1io8 h ARG 559 CO 1.10 1.20 -0.40 0.12 -1.07 0.00 0.00 179.97 180.92 1io8 s PHE 560 N -2.66 -0.30 0.11 3.04 5.36 -1.26 -5.02 117.98 117.25 1io8 s PHE 560 Ca -0.04 0.73 -0.26 0.00 -0.96 0.00 0.00 56.93 56.40 1io8 s PHE 560 Cb 0.07 0.10 0.08 0.00 -0.34 0.00 0.00 43.02 42.93 1io8 s PHE 560 CO 0.88 -0.14 0.93 0.34 -1.46 0.00 0.00 175.22 175.77 1io8 s ASP 561 N 0.16 -0.24 -0.31 6.13 -1.08 -1.26 -5.12 116.67 114.94 1io8 s ASP 561 Ca -0.00 -0.28 -0.29 0.00 -0.52 0.00 0.00 52.55 51.46 1io8 s ASP 561 Cb -0.02 0.46 -0.00 0.00 -1.46 0.00 0.00 42.92 41.90 1io8 s ASP 561 CO 0.00 -0.82 1.39 -0.63 0.52 0.00 0.00 175.17 175.63 1io8 s ILE 562 N -3.24 4.00 0.28 4.11 -1.09 -1.26 -4.93 121.20 119.08 1io8 s ILE 562 Ca 0.10 1.11 0.02 0.00 -2.23 0.00 0.00 60.65 59.65 1io8 s ILE 562 Cb -0.01 -4.09 0.27 0.00 -1.58 0.00 0.00 42.46 37.05 1io8 s ILE 562 CO -0.01 -0.51 1.74 -0.65 -1.23 0.00 0.00 174.94 174.27 1io8 h PRO 563 N 9.91 0.54 0.00 2.79 0.11 -1.96 -1.95 132.00 141.43 1io8 h PRO 563 Ca -0.28 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.80 1io8 h PRO 563 Cb 1.11 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.10 1io8 h PRO 563 CO 1.04 0.36 0.00 0.25 -0.21 0.00 0.00 178.00 179.44 1io8 n THR 564 N -4.92 1.15 0.56 -1.15 -2.24 -1.26 -1.00 114.28 105.41 1io8 n THR 564 Ca 0.20 0.29 0.13 0.00 -2.27 0.00 0.00 64.05 62.40 1io8 n THR 564 Cb 0.56 -1.19 0.32 0.00 -2.10 0.00 0.00 70.33 67.91 1io8 n THR 564 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 1io8 h ARG 565 N 0.00 0.00 -2.95 -0.78 3.08 -1.75 -3.40 114.38 108.58 1io8 h ARG 565 Ca 0.00 0.00 -0.61 0.00 0.07 0.00 0.00 59.98 59.44 1io8 h ARG 565 Cb 0.07 0.00 -0.40 0.00 0.08 0.00 0.00 29.97 29.71 1io8 h ARG 565 CO 0.00 0.00 -0.71 0.71 -1.07 0.00 0.00 179.97 178.90 1io8 s TYR 566 N -3.13 2.48 0.21 3.04 1.51 -0.17 -4.62 117.35 116.67 1io8 s TYR 566 Ca 0.09 -2.80 -0.01 0.00 -1.01 0.00 0.00 57.07 53.34 1io8 s TYR 566 Cb 0.12 -2.09 -0.04 0.00 -0.11 0.00 0.00 41.96 39.84 1io8 s TYR 566 CO 0.64 -0.71 0.16 0.95 -1.11 0.00 0.00 175.55 175.48 1io8 s THR 567 N -0.38 0.00 0.61 -0.71 -4.23 -1.26 -4.44 115.64 105.22 1io8 s THR 567 Ca 0.23 -1.98 0.32 0.00 -1.18 0.00 0.00 61.69 59.08 1io8 s THR 567 Cb -0.13 -2.49 0.37 0.00 1.34 0.00 0.00 72.50 71.59 1io8 s THR 567 CO -0.09 0.00 2.26 0.00 -0.54 0.00 0.00 174.62 176.25 1io8 h MET 568 N 2.56 0.00 -0.41 3.99 -0.00 -1.95 -2.38 114.93 116.74 1io8 h MET 568 Ca -0.35 0.00 0.04 0.00 -0.00 0.00 0.00 59.70 59.39 1io8 h MET 568 Cb 1.25 0.00 -0.04 0.00 -0.00 0.00 0.00 31.60 32.81 1io8 h MET 568 CO 0.51 0.00 0.19 1.25 -0.00 0.00 0.00 176.91 178.86 1io8 h LEU 569 N 0.00 0.26 -4.74 -0.10 6.46 -1.96 -3.10 115.31 112.14 1io8 h LEU 569 Ca 0.01 0.03 -0.73 0.00 -0.12 0.00 0.00 57.88 57.07 1io8 h LEU 569 Cb 0.06 -0.02 -0.29 0.00 -0.73 0.00 0.00 40.66 39.68 1io8 h LEU 569 CO -0.00 0.19 0.79 0.35 -0.62 0.00 0.00 178.44 179.15 1io8 n THR 570 N -4.94 3.44 -4.02 1.05 -2.24 -0.90 -4.84 114.28 101.83 1io8 n THR 570 Ca 0.02 -4.12 -0.08 0.00 -2.27 0.00 0.00 64.05 57.60 1io8 n THR 570 Cb 0.11 -1.23 -0.09 0.00 -2.10 0.00 0.00 70.33 67.03 1io8 n THR 570 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1io8 s SER 571 N -1.55 0.35 0.34 3.42 1.04 -1.17 -4.10 113.70 112.03 1io8 s SER 571 Ca 0.54 -0.90 0.10 0.00 0.48 0.00 0.00 55.95 56.17 1io8 s SER 571 Cb 0.45 0.25 -0.06 0.00 0.10 0.00 0.00 66.02 66.76 1io8 s SER 571 CO -0.31 -0.65 -0.08 -1.81 0.98 0.00 0.00 173.24 171.37 1io8 s ASP 572 N -2.91 3.82 0.66 7.02 1.01 -1.26 -4.59 116.67 120.42 1io8 s ASP 572 Ca 0.07 -1.14 -0.16 0.00 0.71 0.00 0.00 52.55 52.04 1io8 s ASP 572 Cb 0.07 -0.39 0.00 0.00 1.01 0.00 0.00 42.92 43.61 1io8 s ASP 572 CO -0.10 -0.19 1.17 -2.84 0.21 0.00 0.00 175.17 173.43 1io8 s PRO 573 N -3.62 2.63 0.04 8.23 0.02 -1.26 -0.96 135.00 140.08 1io8 s PRO 573 Ca 0.33 1.65 0.28 0.00 0.02 0.00 0.00 61.00 63.27 1io8 s PRO 573 Cb 0.01 -1.91 1.13 0.00 0.02 0.00 0.00 34.50 33.76 1io8 s PRO 573 CO 0.17 -1.43 1.88 -0.35 -0.33 0.00 0.00 177.00 176.94 1io8 n PRO 574 N -2.25 0.05 0.16 5.54 -0.04 -1.26 -4.80 135.00 132.40 1io8 n PRO 574 Ca 0.12 0.06 -0.16 0.00 -0.04 0.00 0.00 63.50 63.48 1io8 n PRO 574 Cb 0.51 -1.56 -0.08 0.00 -0.04 0.00 0.00 33.50 32.32 1io8 n PRO 574 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1io8 h LEU 575 N 0.00 -1.32 -0.55 1.53 6.46 -1.79 0.20 115.31 119.85 1io8 h LEU 575 Ca 0.00 0.13 0.11 0.00 -0.12 0.00 0.00 57.88 58.00 1io8 h LEU 575 Cb 0.53 0.48 -0.11 0.00 -0.73 0.00 0.00 40.66 40.83 1io8 h LEU 575 CO 0.00 -0.55 -0.16 -0.74 -0.62 0.00 0.00 178.44 176.37 1io8 h HIS 576 N -0.76 -0.37 -0.67 1.25 2.76 -1.30 0.62 115.15 116.68 1io8 h HIS 576 Ca -0.01 0.05 -0.05 0.00 -2.20 0.00 0.00 60.37 58.17 1io8 h HIS 576 Cb 0.74 0.25 -0.03 0.00 1.55 0.00 0.00 27.41 29.92 1io8 h HIS 576 CO -0.35 -0.26 0.24 -0.44 -1.30 0.00 0.00 177.93 175.82 1io8 h ASP 577 N -0.03 0.94 -0.41 3.26 3.45 -1.72 0.39 116.42 122.31 1io8 h ASP 577 Ca 0.26 -0.19 -0.02 0.00 0.43 0.00 0.00 57.03 57.51 1io8 h ASP 577 Cb 0.43 -0.25 -0.02 0.00 -0.56 0.00 0.00 39.33 38.94 1io8 h ASP 577 CO -0.58 0.88 0.17 -0.33 -1.57 0.00 0.00 179.24 177.81 1io8 h GLU 578 N 0.95 0.60 0.36 3.56 5.08 0.37 -0.41 114.58 125.10 1io8 h GLU 578 Ca 0.22 -0.10 -0.02 0.00 -1.00 0.00 0.00 59.36 58.46 1io8 h GLU 578 Cb 0.25 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.41 1io8 h GLU 578 CO -0.01 0.56 -0.17 -0.07 -1.00 0.00 0.00 179.01 178.31 1io8 h LEU 579 N 0.51 -0.41 -1.34 1.33 3.38 -0.69 -3.12 115.31 114.96 1io8 h LEU 579 Ca 0.14 -0.05 -0.05 0.00 0.09 0.00 0.00 57.88 58.00 1io8 h LEU 579 Cb 0.17 0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1io8 h LEU 579 CO -0.01 -0.21 -0.10 -0.09 0.09 0.00 0.00 178.44 178.12 1io8 h ARG 580 N -0.60 0.32 -0.33 1.13 2.43 -0.89 -2.44 114.38 114.01 1io8 h ARG 580 Ca -0.05 -0.07 0.09 0.00 -0.81 0.00 0.00 59.98 59.14 1io8 h ARG 580 Cb 0.44 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.93 1io8 h ARG 580 CO 0.08 0.43 0.32 0.66 -1.51 0.00 0.00 179.97 179.95 1io8 h SER 581 N 0.31 0.00 0.94 -3.80 4.64 -1.00 -0.39 113.55 114.25 1io8 h SER 581 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1io8 h SER 581 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 1io8 h SER 581 CO 0.02 0.00 0.00 0.24 -0.87 0.00 0.00 176.83 176.22 1io8 h MET 582 N 0.00 0.00 0.00 4.77 2.86 -1.51 -3.17 114.93 117.88 1io8 h MET 582 Ca 0.15 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.79 1io8 h MET 582 Cb 0.78 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.44 1io8 h MET 582 CO -0.00 0.00 -0.22 -1.13 1.06 0.00 0.00 176.91 176.62 1io8 n SER 583 N -2.39 0.66 0.02 1.22 3.41 -0.29 -4.83 113.62 111.41 1io8 n SER 583 Ca 0.03 -1.93 0.01 0.00 -0.26 0.00 0.00 58.87 56.71 1io8 n SER 583 Cb 0.29 -0.17 0.05 0.00 -0.26 0.00 0.00 64.21 64.12 1io8 n SER 583 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1io8 n ALA 584 N -0.32 0.67 -0.53 7.33 0.00 -0.39 -1.64 120.51 125.63 1io8 n ALA 584 Ca 0.03 0.02 0.02 0.00 0.00 0.00 0.00 53.44 53.51 1io8 n ALA 584 Cb 0.58 -0.70 0.03 0.00 0.00 0.00 0.00 19.45 19.37 1io8 n ALA 584 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1io8 n ASP 585 N -1.43 1.63 -0.27 0.00 10.43 -1.26 -4.79 116.55 120.85 1io8 n ASP 585 Ca -0.00 -2.09 0.06 0.00 2.57 0.00 0.00 54.79 55.33 1io8 n ASP 585 Cb 0.18 -0.11 0.20 0.00 1.84 0.00 0.00 41.12 43.23 1io8 n ASP 585 CO 0.00 0.00 0.00 0.40 -1.07 0.00 0.00 177.20 176.53 1io8 h ILE 586 N 0.94 0.69 -1.24 0.53 2.04 -1.69 -2.69 117.51 116.10 1io8 h ILE 586 Ca 0.00 -0.18 -0.61 0.00 1.00 0.00 0.00 64.86 65.07 1io8 h ILE 586 Cb 0.75 0.12 -0.39 0.00 -0.74 0.00 0.00 36.82 36.56 1io8 h ILE 586 CO 0.00 0.10 -0.36 0.49 0.00 0.00 0.00 178.15 178.37 1io8 n PHE 587 N -4.94 3.10 -1.36 1.37 0.99 -1.26 -4.85 117.46 110.52 1io8 n PHE 587 Ca 0.16 -2.68 -0.34 0.00 -0.00 0.00 0.00 57.45 54.58 1io8 n PHE 587 Cb 0.42 -0.47 0.10 0.00 -1.00 0.00 0.00 39.48 38.54 1io8 n PHE 587 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.76 175.22 1io8 s SER 588 N -3.07 4.04 0.20 4.37 1.04 -1.02 -4.64 113.70 114.63 1io8 s SER 588 Ca 0.52 2.38 -0.15 0.00 0.48 0.00 0.00 55.95 59.18 1io8 s SER 588 Cb 0.42 -2.59 0.21 0.00 0.10 0.00 0.00 66.02 64.16 1io8 s SER 588 CO -0.11 -2.37 1.63 -0.65 0.98 0.00 0.00 173.24 172.72 1io8 h PRO 589 N -0.43 -0.02 -0.51 4.02 0.11 -1.97 0.01 132.00 133.22 1io8 h PRO 589 Ca -0.47 0.00 0.05 0.00 0.11 0.00 0.00 66.00 65.69 1io8 h PRO 589 Cb 1.30 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.36 1io8 h PRO 589 CO 0.49 -0.01 0.24 -0.56 -0.21 0.00 0.00 178.00 177.95 1io8 h GLN 590 N -0.02 0.45 0.00 1.05 -0.00 -1.99 -0.42 115.11 114.19 1io8 h GLN 590 Ca 0.28 -0.03 -0.00 0.00 -0.00 0.00 0.00 58.65 58.90 1io8 h GLN 590 Cb 0.44 -0.10 0.00 0.00 -0.00 0.00 0.00 27.48 27.82 1io8 h GLN 590 CO -0.61 0.30 -0.00 0.87 -0.00 0.00 0.00 178.83 179.39 1io8 h LYS 591 N 0.47 -0.00 -0.65 0.06 1.57 -1.68 -2.79 116.57 113.55 1io8 h LYS 591 Ca 0.23 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.98 1io8 h LYS 591 Cb 0.17 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.45 1io8 h LYS 591 CO -0.18 0.23 0.30 -0.07 -0.57 0.00 0.00 179.45 179.16 1io8 h LEU 592 N -0.23 0.84 -0.96 2.94 3.38 -0.82 -1.57 115.31 118.89 1io8 h LEU 592 Ca -0.00 -0.09 0.04 0.00 0.09 0.00 0.00 57.88 57.92 1io8 h LEU 592 Cb 0.23 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 40.71 1io8 h LEU 592 CO 0.00 0.72 0.62 -0.61 0.09 0.00 0.00 178.44 179.26 1io8 h GLN 593 N 0.92 1.16 0.00 1.13 -0.00 -1.01 -0.61 115.11 116.70 1io8 h GLN 593 Ca 0.23 -0.07 0.00 0.00 -0.00 0.00 0.00 58.65 58.81 1io8 h GLN 593 Cb 0.11 -0.26 0.00 0.00 0.00 0.00 0.00 27.48 27.32 1io8 h GLN 593 CO -0.03 0.77 -0.12 1.79 0.00 0.00 0.00 178.83 181.25 1io8 h THR 594 N 1.20 0.00 0.00 2.39 1.35 -1.15 -3.17 112.91 113.53 1io8 h THR 594 Ca 0.38 -0.53 0.00 0.00 -0.55 0.00 0.00 66.41 65.71 1io8 h THR 594 Cb 0.01 1.46 0.00 0.00 -1.73 0.00 0.00 68.15 67.89 1io8 h THR 594 CO -0.13 0.00 -0.13 0.25 -0.25 0.00 0.00 175.52 175.26 1io8 h LEU 595 N 0.00 0.00 -0.28 3.87 6.46 -0.17 -3.37 115.31 121.81 1io8 h LEU 595 Ca 0.00 -0.01 0.07 0.00 -0.12 0.00 0.00 57.88 57.82 1io8 h LEU 595 Cb 0.77 0.00 -0.08 0.00 -0.73 0.00 0.00 40.66 40.62 1io8 h LEU 595 CO 0.00 0.00 -0.30 -0.33 -0.62 0.00 0.00 178.44 177.19 1io8 h GLU 596 N 0.00 -0.28 -1.00 1.25 5.08 -1.25 -0.99 114.58 117.39 1io8 h GLU 596 Ca 0.00 0.02 0.19 0.00 -1.00 0.00 0.00 59.36 58.57 1io8 h GLU 596 Cb 0.96 0.06 -0.10 0.00 0.50 0.00 0.00 28.75 30.17 1io8 h GLU 596 CO 0.00 -0.19 0.61 1.15 -1.00 0.00 0.00 179.01 179.59 1io8 h THR 597 N -0.29 0.70 -0.18 1.13 2.02 -1.81 0.67 112.91 115.14 1io8 h THR 597 Ca 0.14 -0.25 -0.11 0.00 0.77 0.00 0.00 66.41 66.97 1io8 h THR 597 Cb 0.52 -0.09 -0.00 0.00 -1.74 0.00 0.00 68.15 66.84 1io8 h THR 597 CO -0.45 0.13 -0.30 0.15 0.37 0.00 0.00 175.52 175.42 1io8 h PHE 598 N 0.72 0.66 -0.12 3.16 3.57 -1.67 0.10 116.94 123.37 1io8 h PHE 598 Ca 0.57 -0.23 -0.01 0.00 3.53 0.00 0.00 57.97 61.83 1io8 h PHE 598 Cb 0.94 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.55 1io8 h PHE 598 CO -0.00 0.95 0.04 0.82 -2.23 0.00 0.00 178.31 177.89 1io8 h ILE 599 N 0.19 1.16 -0.40 1.41 2.04 0.31 0.29 117.51 122.51 1io8 h ILE 599 Ca 0.01 -0.49 -0.06 0.00 1.00 0.00 0.00 64.86 65.32 1io8 h ILE 599 Cb 0.89 1.27 -0.02 0.00 -0.74 0.00 0.00 36.82 38.22 1io8 h ILE 599 CO 0.07 0.15 -0.02 -0.09 0.00 0.00 0.00 178.15 178.26 1io8 h ARG 600 N 0.02 0.64 -0.23 2.37 2.43 0.22 -0.95 114.38 118.88 1io8 h ARG 600 Ca 0.04 -0.16 -0.11 0.00 -0.81 0.00 0.00 59.98 58.94 1io8 h ARG 600 Cb 0.19 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 29.66 1io8 h ARG 600 CO -0.00 0.68 -0.27 0.93 -1.51 0.00 0.00 179.97 179.80 1io8 h GLU 601 N 0.60 0.59 -0.45 0.20 5.08 -0.71 -2.26 114.58 117.63 1io8 h GLU 601 Ca 0.12 -0.33 -0.03 0.00 -1.00 0.00 0.00 59.36 58.12 1io8 h GLU 601 Cb 0.41 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 1io8 h GLU 601 CO 0.02 0.93 0.16 1.15 -1.00 0.00 0.00 179.01 180.27 1io8 h THR 602 N 0.29 1.21 0.09 1.13 2.02 -0.25 -2.67 112.91 114.75 1io8 h THR 602 Ca 0.03 -0.69 0.02 0.00 0.77 0.00 0.00 66.41 66.55 1io8 h THR 602 Cb 0.83 0.81 -0.03 0.00 -1.74 0.00 0.00 68.15 68.02 1io8 h THR 602 CO 0.06 0.25 -0.25 0.74 0.37 0.00 0.00 175.52 176.70 1io8 h THR 603 N 0.59 0.44 -0.44 3.16 2.02 -1.10 -1.53 112.91 116.05 1io8 h THR 603 Ca 0.15 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.41 1io8 h THR 603 Cb 0.23 0.44 -0.07 0.00 -1.74 0.00 0.00 68.15 67.02 1io8 h THR 603 CO -0.01 0.00 0.06 0.03 0.37 0.00 0.00 175.52 175.97 1io8 h ARG 604 N -0.44 0.17 -0.22 6.66 3.08 -1.37 -0.32 114.38 121.94 1io8 h ARG 604 Ca 0.04 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.05 1io8 h ARG 604 Cb 0.48 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.48 1io8 h ARG 604 CO -0.16 0.12 0.04 1.03 -1.07 0.00 0.00 179.97 179.93 1io8 h SER 605 N 0.18 0.28 -0.26 7.04 0.87 -1.22 0.68 113.55 121.11 1io8 h SER 605 Ca 0.22 -0.03 -0.09 0.00 -1.23 0.00 0.00 61.79 60.66 1io8 h SER 605 Cb 0.30 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.18 1io8 h SER 605 CO -0.32 0.30 -0.20 -0.07 -0.53 0.00 0.00 176.83 176.02 1io8 h LEU 606 N 0.31 0.63 -1.01 2.23 3.38 -0.09 -3.07 115.31 117.69 1io8 h LEU 606 Ca 0.08 -0.45 -0.06 0.00 0.09 0.00 0.00 57.88 57.54 1io8 h LEU 606 Cb 0.14 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 1io8 h LEU 606 CO -0.00 0.94 0.02 -0.07 0.09 0.00 0.00 178.44 179.42 1io8 h LEU 607 N 0.32 0.69 -1.70 1.67 3.38 -0.47 -2.78 115.31 116.42 1io8 h LEU 607 Ca 0.05 -0.15 0.26 0.00 0.09 0.00 0.00 57.88 58.13 1io8 h LEU 607 Cb 0.74 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 41.25 1io8 h LEU 607 CO 0.05 0.75 0.67 0.44 0.09 0.00 0.00 178.44 180.44 1io8 h ASP 608 N 0.68 0.23 0.24 -0.43 3.32 -0.78 -0.73 116.42 118.94 1io8 h ASP 608 Ca 0.14 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.22 1io8 h ASP 608 Cb 0.40 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.94 1io8 h ASP 608 CO 0.01 0.07 -0.19 -1.54 -1.72 0.00 0.00 179.24 175.87 1io8 n SER 609 N -4.41 0.93 -4.74 6.45 3.41 -1.05 -4.91 113.62 109.30 1io8 n SER 609 Ca 0.21 -0.88 -0.41 0.00 -0.26 0.00 0.00 58.87 57.53 1io8 n SER 609 Cb 0.91 0.07 -0.03 0.00 -0.26 0.00 0.00 64.21 64.90 1io8 n SER 609 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1io8 s ILE 610 N -2.44 3.31 -0.42 -1.33 1.01 -0.28 -4.98 121.20 116.08 1io8 s ILE 610 Ca 0.27 1.10 -0.22 0.00 0.00 0.00 0.00 60.65 61.80 1io8 s ILE 610 Cb 0.20 -3.70 0.02 0.00 0.01 0.00 0.00 42.46 38.99 1io8 s ILE 610 CO 0.49 0.17 0.70 -0.62 0.00 0.00 0.00 174.94 175.68 1io8 s ASP 611 N 0.24 6.39 0.32 3.58 2.15 -1.26 -4.95 116.67 123.15 1io8 s ASP 611 Ca 0.55 -0.10 0.09 0.00 0.43 0.00 0.00 52.55 53.52 1io8 s ASP 611 Cb -0.35 -2.35 0.88 0.00 -0.30 0.00 0.00 42.92 40.80 1io8 s ASP 611 CO 0.38 -0.78 1.73 -0.65 -0.17 0.00 0.00 175.17 175.68 1io8 h PRO 612 N 8.79 0.58 -0.90 4.34 0.11 -1.93 -1.80 132.00 141.19 1io8 h PRO 612 Ca -0.25 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.82 1io8 h PRO 612 Cb 1.10 -0.13 -0.04 0.00 0.11 0.00 0.00 31.00 32.03 1io8 h PRO 612 CO 0.91 0.38 0.56 0.00 -0.21 0.00 0.00 178.00 179.63 1io8 h ARG 613 N 0.59 1.21 -1.31 1.05 3.08 -1.90 0.24 114.38 117.34 1io8 h ARG 613 Ca 0.64 -0.10 0.16 0.00 0.07 0.00 0.00 59.98 60.75 1io8 h ARG 613 Cb 1.21 -0.26 -0.30 0.00 0.08 0.00 0.00 29.97 30.70 1io8 h ARG 613 CO -0.47 0.84 0.56 -2.00 -1.07 0.00 0.00 179.97 177.83 1io8 s GLU 614 N -6.01 0.22 -0.13 0.04 2.12 -0.68 -4.58 118.70 109.69 1io8 s GLU 614 Ca -0.13 0.38 -0.32 0.00 0.36 0.00 0.00 54.97 55.26 1io8 s GLU 614 Cb 0.17 0.05 0.13 0.00 0.26 0.00 0.00 34.13 34.73 1io8 s GLU 614 CO 0.81 -0.05 1.08 0.34 -0.54 0.00 0.00 175.26 176.90 1io8 s ASP 615 N 1.16 -0.24 -0.57 -1.70 -1.08 -1.03 -4.50 116.67 108.70 1io8 s ASP 615 Ca -0.08 0.05 -0.19 0.00 -0.52 0.00 0.00 52.55 51.81 1io8 s ASP 615 Cb -0.03 0.24 0.09 0.00 -1.46 0.00 0.00 42.92 41.76 1io8 s ASP 615 CO -0.12 -0.37 0.69 -0.62 0.52 0.00 0.00 175.17 175.27 1io8 s ASP 616 N -2.08 6.20 0.40 -0.34 -1.08 -1.26 -1.63 116.67 116.87 1io8 s ASP 616 Ca 0.06 -1.24 0.29 0.00 -0.52 0.00 0.00 52.55 51.14 1io8 s ASP 616 Cb -0.01 -2.30 1.22 0.00 -1.46 0.00 0.00 42.92 40.36 1io8 s ASP 616 CO -0.06 -1.06 1.85 0.16 0.52 0.00 0.00 175.17 176.59 1io8 h ILE 617 N 5.91 0.00 0.23 4.11 3.07 -1.87 0.17 117.51 129.13 1io8 h ILE 617 Ca -0.29 -0.33 -0.01 0.00 1.55 0.00 0.00 64.86 65.78 1io8 h ILE 617 Cb 1.09 1.18 0.00 0.00 -0.27 0.00 0.00 36.82 38.82 1io8 h ILE 617 CO 1.06 0.00 -0.11 0.58 -1.05 0.00 0.00 178.15 178.63 1io8 h VAL 618 N 0.00 0.84 -0.05 0.16 2.07 -1.90 0.24 116.25 117.60 1io8 h VAL 618 Ca 0.00 -0.61 -0.00 0.00 0.82 0.00 0.00 66.70 66.90 1io8 h VAL 618 Cb 0.40 1.18 -0.00 0.00 -1.52 0.00 0.00 31.29 31.34 1io8 h VAL 618 CO 0.00 0.13 0.02 0.50 0.02 0.00 0.00 177.57 178.24 1io8 h LYS 619 N -0.63 0.08 0.00 1.57 3.64 -1.72 0.26 116.57 119.77 1io8 h LYS 619 Ca -0.03 -0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.24 1io8 h LYS 619 Cb 0.45 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.25 1io8 h LYS 619 CO 0.05 0.21 -0.43 0.87 -2.27 0.00 0.00 179.45 177.88 1io8 h LYS 620 N -0.07 0.00 0.00 1.90 1.79 -0.72 -3.41 116.57 116.06 1io8 h LYS 620 Ca 0.02 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.49 1io8 h LYS 620 Cb 0.16 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.81 1io8 h LYS 620 CO -0.00 0.43 -0.21 -0.11 -1.08 0.00 0.00 179.45 178.48 1io8 n LEU 621 N -3.34 0.00 -0.28 2.94 7.94 0.19 -4.69 117.00 119.77 1io8 n LEU 621 Ca 0.01 0.02 -0.03 0.00 -1.11 0.00 0.00 56.01 54.90 1io8 n LEU 621 Cb 0.63 0.01 0.09 0.00 0.53 0.00 0.00 43.42 44.68 1io8 n LEU 621 CO 0.38 -0.41 1.18 0.00 -1.11 0.00 0.00 177.39 177.43 1io8 h ALA 622 N 0.00 1.00 0.13 1.96 0.00 -0.28 -2.88 119.26 119.20 1io8 h ALA 622 Ca 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1io8 h ALA 622 Cb 0.21 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1io8 h ALA 622 CO 0.00 0.32 -0.06 0.28 0.00 0.00 0.00 179.25 179.78 1io8 h VAL 623 N 0.97 0.81 -0.53 0.00 2.07 -0.72 -3.38 116.25 115.47 1io8 h VAL 623 Ca 0.30 -1.24 -0.07 0.00 0.82 0.00 0.00 66.70 66.51 1io8 h VAL 623 Cb -0.02 1.40 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 1io8 h VAL 623 CO -0.10 0.23 0.06 1.55 0.02 0.00 0.00 177.57 179.33 1io8 h PRO 624 N -0.91 0.89 -0.41 1.57 0.13 -1.79 -3.32 132.00 128.16 1io8 h PRO 624 Ca -0.02 -0.25 0.06 0.00 -0.87 0.00 0.00 66.00 64.92 1io8 h PRO 624 Cb 0.51 -0.10 -0.09 0.00 0.13 0.00 0.00 31.00 31.46 1io8 h PRO 624 CO 0.03 0.88 -0.47 1.25 -0.23 0.00 0.00 178.00 179.46 1io8 h LEU 625 N 0.77 -1.58 -1.13 1.56 6.46 -1.71 0.17 115.31 119.84 1io8 h LEU 625 Ca 0.16 0.23 -0.03 0.00 -0.12 0.00 0.00 57.88 58.11 1io8 h LEU 625 Cb 0.44 0.67 -0.03 0.00 -0.73 0.00 0.00 40.66 41.02 1io8 h LEU 625 CO 0.02 -0.38 0.20 1.55 -0.62 0.00 0.00 178.44 179.20 1io8 h PRO 626 N -0.36 0.81 -0.49 5.25 0.13 -1.78 -1.03 132.00 134.53 1io8 h PRO 626 Ca 0.12 -0.13 -0.08 0.00 -0.87 0.00 0.00 66.00 65.04 1io8 h PRO 626 Cb 0.59 -0.14 -0.02 0.00 0.13 0.00 0.00 31.00 31.57 1io8 h PRO 626 CO -0.58 0.68 -0.00 0.82 -0.23 0.00 0.00 178.00 178.69 1io8 h ILE 627 N 0.80 1.26 -0.31 -3.56 2.04 -1.41 -1.32 117.51 115.01 1io8 h ILE 627 Ca 0.19 -1.08 -0.09 0.00 1.00 0.00 0.00 64.86 64.88 1io8 h ILE 627 Cb 0.19 0.98 -0.02 0.00 -0.74 0.00 0.00 36.82 37.23 1io8 h ILE 627 CO -0.01 0.38 -0.17 0.40 0.00 0.00 0.00 178.15 178.74 1io8 h ILE 628 N 0.73 1.25 -0.07 -0.67 2.04 -0.39 -1.97 117.51 118.44 1io8 h ILE 628 Ca 0.14 -1.15 -0.11 0.00 1.00 0.00 0.00 64.86 64.73 1io8 h ILE 628 Cb 0.52 1.20 0.01 0.00 -0.74 0.00 0.00 36.82 37.80 1io8 h ILE 628 CO 0.03 0.38 -0.39 0.58 0.00 0.00 0.00 178.15 178.74 1io8 h VAL 629 N 0.51 1.41 0.00 1.67 2.07 -0.96 -2.74 116.25 118.21 1io8 h VAL 629 Ca 0.08 -1.79 -0.02 0.00 0.82 0.00 0.00 66.70 65.79 1io8 h VAL 629 Cb 0.59 2.33 -0.00 0.00 -1.52 0.00 0.00 31.29 32.69 1io8 h VAL 629 CO 0.04 0.52 -0.11 -0.29 0.02 0.00 0.00 177.57 177.75 1io8 h ILE 630 N -0.09 0.32 -0.31 4.57 6.09 -1.20 -1.39 117.51 125.50 1io8 h ILE 630 Ca -0.03 -0.72 -0.17 0.00 -1.37 0.00 0.00 64.86 62.57 1io8 h ILE 630 Cb 1.05 1.55 -0.00 0.00 0.47 0.00 0.00 36.82 39.89 1io8 h ILE 630 CO 0.08 0.11 -0.48 0.28 -3.07 0.00 0.00 178.15 175.07 1io8 h SER 631 N 0.00 0.91 -0.09 2.19 0.02 -1.32 0.14 113.55 115.40 1io8 h SER 631 Ca -0.00 -0.45 -0.01 0.00 -0.84 0.00 0.00 61.79 60.49 1io8 h SER 631 Cb 0.54 -0.26 -0.00 0.00 0.14 0.00 0.00 62.40 62.82 1io8 h SER 631 CO 0.01 1.23 0.02 0.50 -1.14 0.00 0.00 176.83 177.45 1io8 h LYS 632 N 0.66 0.14 -0.40 3.45 3.64 -1.03 0.90 116.57 123.92 1io8 h LYS 632 Ca 0.03 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1io8 h LYS 632 Cb 1.06 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.85 1io8 h LYS 632 CO 0.11 0.34 0.24 0.82 -2.27 0.00 0.00 179.45 178.69 1io8 h ILE 633 N -0.08 1.13 0.00 2.00 2.04 -1.14 -2.67 117.51 118.78 1io8 h ILE 633 Ca 0.03 -0.30 -0.09 0.00 1.00 0.00 0.00 64.86 65.49 1io8 h ILE 633 Cb 0.27 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 36.94 1io8 h ILE 633 CO 0.00 0.13 -0.44 -0.07 0.00 0.00 0.00 178.15 177.78 1io8 h LEU 634 N 0.53 0.00 -0.75 1.44 4.07 -0.61 -3.47 115.31 116.53 1io8 h LEU 634 Ca 0.15 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.11 1io8 h LEU 634 Cb 0.00 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.74 1io8 h LEU 634 CO -0.03 0.44 0.00 0.61 -1.08 0.00 0.00 178.44 178.38 1io8 n GLY 635 N 0.41 0.93 3.86 0.83 0.00 0.29 -4.57 105.19 106.94 1io8 n GLY 635 Ca -0.00 -0.59 -0.28 0.00 0.00 0.00 0.00 46.02 45.15 1io8 n GLY 635 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1io8 s LEU 636 N -0.75 4.08 0.11 0.99 1.43 0.09 -4.83 118.68 119.80 1io8 s LEU 636 Ca 0.00 0.07 -0.31 0.00 -1.03 0.00 0.00 54.13 52.86 1io8 s LEU 636 Cb 0.00 -2.69 -0.08 0.00 0.03 0.00 0.00 46.19 43.44 1io8 s LEU 636 CO 0.00 0.11 1.50 -2.84 0.23 0.00 0.00 176.35 175.36 1io8 s PRO 637 N -2.82 4.26 0.54 1.29 0.02 -1.26 -4.63 135.00 132.39 1io8 s PRO 637 Ca 0.32 2.21 0.32 0.00 0.02 0.00 0.00 61.00 63.87 1io8 s PRO 637 Cb -0.12 -3.32 1.50 0.00 0.02 0.00 0.00 34.50 32.58 1io8 s PRO 637 CO 0.25 -0.57 2.05 0.97 -0.33 0.00 0.00 177.00 179.38 1io8 h ILE 638 N 4.35 0.30 0.00 2.83 2.10 -1.97 -2.09 117.51 123.04 1io8 h ILE 638 Ca -0.42 -0.54 0.00 0.00 1.08 0.00 0.00 64.86 64.98 1io8 h ILE 638 Cb 1.20 1.41 0.00 0.00 -1.09 0.00 0.00 36.82 38.34 1io8 h ILE 638 CO 0.90 0.08 0.00 -1.84 -1.08 0.00 0.00 178.15 176.21 1io8 n GLU 639 N -3.34 0.01 -0.19 2.19 0.00 -1.26 -1.47 120.64 116.58 1io8 n GLU 639 Ca -0.01 0.36 0.12 0.00 0.00 0.00 0.00 57.16 57.62 1io8 n GLU 639 Cb 0.26 -1.50 0.24 0.00 0.00 0.00 0.00 31.44 30.44 1io8 n GLU 639 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1io8 n ASP 640 N -1.47 3.34 -0.08 -1.84 8.00 -0.78 -4.51 116.55 119.20 1io8 n ASP 640 Ca 0.02 -1.97 0.09 0.00 0.71 0.00 0.00 54.79 53.64 1io8 n ASP 640 Cb 0.08 -0.25 0.46 0.00 -0.02 0.00 0.00 41.12 41.39 1io8 n ASP 640 CO 0.00 0.00 0.00 0.07 -0.39 0.00 0.00 177.20 176.88 1io8 h LYS 641 N 4.27 0.48 -0.04 -1.24 2.10 -1.43 0.27 116.57 120.99 1io8 h LYS 641 Ca 0.00 -0.03 -0.10 0.00 -2.00 0.00 0.00 60.65 58.53 1io8 h LYS 641 Cb 0.94 -0.11 -0.01 0.00 -0.90 0.00 0.00 32.23 32.15 1io8 h LYS 641 CO 0.00 0.32 -0.42 0.93 -2.00 0.00 0.00 179.45 178.28 1io8 h GLU 642 N 0.50 0.08 -0.18 0.07 3.07 -1.83 0.77 114.58 117.06 1io8 h GLU 642 Ca 0.26 -0.04 -0.08 0.00 -0.50 0.00 0.00 59.36 59.00 1io8 h GLU 642 Cb 0.37 -0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.28 1io8 h GLU 642 CO -0.07 0.49 -0.20 0.87 -1.40 0.00 0.00 179.01 178.70 1io8 h LYS 643 N 0.07 0.45 -0.37 2.33 1.57 -0.87 -2.42 116.57 117.33 1io8 h LYS 643 Ca 0.00 -0.25 -0.05 0.00 -1.87 0.00 0.00 60.65 58.49 1io8 h LYS 643 Cb 0.78 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.08 1io8 h LYS 643 CO 0.06 0.82 0.04 0.74 -0.57 0.00 0.00 179.45 180.54 1io8 h PHE 644 N 0.10 0.58 -0.60 -1.35 0.05 -0.55 -1.72 116.94 113.46 1io8 h PHE 644 Ca 0.03 -0.05 -0.06 0.00 3.82 0.00 0.00 57.97 61.70 1io8 h PHE 644 Cb 0.75 -0.17 -0.02 0.00 2.00 0.00 0.00 35.95 38.50 1io8 h PHE 644 CO 0.08 0.55 0.13 -0.22 -0.18 0.00 0.00 178.31 178.67 1io8 h LYS 645 N 0.55 0.97 -0.70 1.51 1.63 -0.71 0.20 116.57 120.02 1io8 h LYS 645 Ca 0.12 -0.24 -0.03 0.00 -0.85 0.00 0.00 60.65 59.65 1io8 h LYS 645 Cb 0.30 -0.12 -0.03 0.00 -0.60 0.00 0.00 32.23 31.77 1io8 h LYS 645 CO 0.01 0.90 0.31 1.49 -3.45 0.00 0.00 179.45 178.70 1io8 h GLU 646 N 0.88 1.02 -0.02 1.90 4.81 -0.89 -1.54 114.58 120.73 1io8 h GLU 646 Ca 0.19 -0.17 -0.18 0.00 -0.13 0.00 0.00 59.36 59.07 1io8 h GLU 646 Cb 0.38 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 1io8 h GLU 646 CO 0.01 0.82 -0.77 -1.49 -0.73 0.00 0.00 179.01 176.85 1io8 h TRP 647 N 0.98 0.28 -0.22 0.92 6.55 -1.14 -1.52 115.95 121.80 1io8 h TRP 647 Ca 0.24 -0.14 -0.01 0.00 0.95 0.00 0.00 58.89 59.93 1io8 h TRP 647 Cb 0.16 -0.04 -0.01 0.00 -0.86 0.00 0.00 29.16 28.41 1io8 h TRP 647 CO 0.01 0.89 0.10 0.77 -1.05 0.00 0.00 178.44 179.16 1io8 h SER 648 N 0.13 0.29 0.86 -3.49 0.02 -0.68 -0.81 113.55 109.87 1io8 h SER 648 Ca -0.03 -0.13 -0.04 0.00 -0.84 0.00 0.00 61.79 60.75 1io8 h SER 648 Cb 1.35 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.81 1io8 h SER 648 CO 0.12 0.34 -0.47 0.44 -1.14 0.00 0.00 176.83 176.12 1io8 h ASP 649 N 0.22 -1.16 -0.26 3.07 3.32 -1.23 -1.27 116.42 119.11 1io8 h ASP 649 Ca 0.08 0.05 0.03 0.00 0.02 0.00 0.00 57.03 57.21 1io8 h ASP 649 Cb 0.13 0.32 -0.05 0.00 0.22 0.00 0.00 39.33 39.95 1io8 h ASP 649 CO -0.01 -0.76 -0.39 0.25 -1.72 0.00 0.00 179.24 176.62 1io8 h LEU 650 N -1.23 -1.28 -1.06 1.55 7.12 -1.23 0.69 115.31 119.88 1io8 h LEU 650 Ca -0.12 0.17 0.00 0.00 0.13 0.00 0.00 57.88 58.06 1io8 h LEU 650 Cb 0.96 0.52 0.00 0.00 -0.53 0.00 0.00 40.66 41.61 1io8 h LEU 650 CO 0.15 -0.29 0.00 0.52 -0.13 0.00 0.00 178.44 178.69 1io8 n VAL 651 N -4.55 0.04 -1.75 1.05 0.31 -0.32 -4.84 118.33 108.27 1io8 n VAL 651 Ca -0.03 0.00 -0.40 0.00 -0.01 0.00 0.00 64.34 63.90 1io8 n VAL 651 Cb 0.24 -0.37 0.02 0.00 -0.91 0.00 0.00 33.84 32.81 1io8 n VAL 651 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1io8 n ALA 652 N 0.18 1.90 -0.22 3.52 0.00 0.23 -4.71 120.51 121.42 1io8 n ALA 652 Ca 0.00 0.25 -0.15 0.00 0.00 0.00 0.00 53.44 53.54 1io8 n ALA 652 Cb 0.18 -2.37 -0.04 0.00 0.00 0.00 0.00 19.45 17.23 1io8 n ALA 652 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1io8 n PHE 653 N -0.20 0.14 0.00 0.00 3.72 -1.26 -5.07 117.46 114.79 1io8 n PHE 653 Ca 0.05 -0.63 0.00 0.00 -0.05 0.00 0.00 57.45 56.82 1io8 n PHE 653 Cb 0.41 -0.74 0.00 0.00 -0.94 0.00 0.00 39.48 38.21 1io8 n PHE 653 CO 0.00 0.00 0.00 2.89 -0.05 0.00 0.00 176.76 179.60 1io8 n ARG 654 N 5.84 0.00 -1.82 -1.08 0.00 -1.26 -4.59 116.66 113.75 1io8 n ARG 654 Ca 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.02 1io8 n ARG 654 Cb 0.14 -0.55 0.00 0.00 -0.00 0.00 0.00 32.46 32.04 1io8 n ARG 654 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 1io8 n PHE 662 N -0.29 0.00 -3.68 2.89 7.35 -1.26 -4.82 117.46 117.65 1io8 n PHE 662 Ca 0.00 0.00 -0.15 0.00 -0.76 0.00 0.00 57.45 56.54 1io8 n PHE 662 Cb 0.00 0.00 -0.15 0.00 0.35 0.00 0.00 39.48 39.68 1io8 n PHE 662 CO 0.00 0.00 0.00 -1.83 -0.76 0.00 0.00 176.76 174.17 1io8 s GLU 663 N -1.73 0.08 -0.58 -4.13 1.03 -1.26 -5.07 118.70 107.04 1io8 s GLU 663 Ca 0.00 0.58 -0.14 0.00 0.03 0.00 0.00 54.97 55.45 1io8 s GLU 663 Cb 0.00 -0.19 0.15 0.00 -0.80 0.00 0.00 34.13 33.29 1io8 s GLU 663 CO 0.00 -0.27 0.52 -1.17 -1.33 0.00 0.00 175.26 173.01 1io8 s LEU 664 N 2.10 6.17 0.42 1.83 1.98 -1.26 -4.90 118.68 125.02 1io8 s LEU 664 Ca 0.00 -2.02 0.04 0.00 -2.89 0.00 0.00 54.13 49.26 1io8 s LEU 664 Cb -0.12 -2.16 -0.04 0.00 0.66 0.00 0.00 46.19 44.53 1io8 s LEU 664 CO -0.07 -0.76 0.05 -0.83 -1.89 0.00 0.00 176.35 172.86 1io8 s GLY 665 N 3.05 2.58 0.14 7.98 0.00 -1.26 -4.99 107.32 114.82 1io8 s GLY 665 Ca 0.07 -1.42 -0.25 0.00 0.00 0.00 0.00 44.72 43.12 1io8 s GLY 665 CO -0.00 -1.99 1.62 0.50 0.00 0.00 0.00 173.10 173.22 1io8 h LYS 666 N 1.74 -0.33 -0.49 2.90 1.57 -1.98 0.26 116.57 120.23 1io8 h LYS 666 Ca -0.41 0.02 0.08 0.00 -1.87 0.00 0.00 60.65 58.47 1io8 h LYS 666 Cb 1.27 0.08 -0.07 0.00 0.08 0.00 0.00 32.23 33.59 1io8 h LYS 666 CO 0.70 -0.22 0.10 0.87 -0.57 0.00 0.00 179.45 180.33 1io8 h LYS 667 N -0.35 0.23 -0.29 3.15 1.57 -1.99 -0.81 116.57 118.08 1io8 h LYS 667 Ca 0.11 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 1io8 h LYS 667 Cb 0.52 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.76 1io8 h LYS 667 CO -0.37 0.15 0.13 -0.92 -0.57 0.00 0.00 179.45 177.88 1io8 h TYR 668 N 0.24 0.43 -0.54 -1.35 3.20 -1.75 -2.44 116.97 114.76 1io8 h TYR 668 Ca 0.24 -0.03 0.11 0.00 3.14 0.00 0.00 58.73 62.20 1io8 h TYR 668 Cb 0.32 -0.13 -0.10 0.00 1.54 0.00 0.00 36.73 38.36 1io8 h TYR 668 CO -0.22 0.40 -0.07 1.25 -1.64 0.00 0.00 178.16 177.88 1io8 h LEU 669 N 0.33 -0.38 -1.60 2.82 7.12 0.59 -0.01 115.31 124.18 1io8 h LEU 669 Ca 0.10 0.15 -0.04 0.00 0.13 0.00 0.00 57.88 58.21 1io8 h LEU 669 Cb 0.14 0.29 -0.01 0.00 -0.53 0.00 0.00 40.66 40.55 1io8 h LEU 669 CO -0.01 -0.14 -0.21 -0.33 -0.13 0.00 0.00 178.44 177.63 1io8 h GLU 670 N 0.05 0.00 -0.20 1.25 5.08 -1.03 -1.08 114.58 118.65 1io8 h GLU 670 Ca 0.27 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.62 1io8 h GLU 670 Cb 0.42 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 1io8 h GLU 670 CO -0.51 0.21 0.09 1.25 -1.00 0.00 0.00 179.01 179.04 1io8 h LEU 671 N 0.00 0.28 -0.48 1.33 5.85 -0.54 0.10 115.31 121.86 1io8 h LEU 671 Ca -0.00 -0.15 0.05 0.00 0.84 0.00 0.00 57.88 58.62 1io8 h LEU 671 Cb 0.37 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 41.28 1io8 h LEU 671 CO 0.03 0.36 0.20 0.40 -0.34 0.00 0.00 178.44 179.09 1io8 h ILE 672 N 0.18 0.90 -0.23 4.05 2.04 -0.35 -1.97 117.51 122.13 1io8 h ILE 672 Ca 0.07 -0.14 -0.12 0.00 1.00 0.00 0.00 64.86 65.67 1io8 h ILE 672 Cb 0.16 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 36.69 1io8 h ILE 672 CO -0.01 0.07 -0.36 1.23 0.00 0.00 0.00 178.15 179.09 1io8 h GLY 673 N 0.40 0.54 0.73 5.37 0.00 -1.03 -2.05 103.07 107.04 1io8 h GLY 673 Ca 0.22 -0.51 -0.00 0.00 0.00 0.00 0.00 47.33 47.04 1io8 h GLY 673 CO -0.19 0.46 -0.04 -1.82 0.00 0.00 0.00 176.54 174.95 1io8 h TYR 674 N 0.42 -0.10 -0.46 5.60 3.20 -0.43 -0.37 116.97 124.83 1io8 h TYR 674 Ca 0.04 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.91 1io8 h TYR 674 Cb 0.82 0.03 -0.02 0.00 1.54 0.00 0.00 36.73 39.10 1io8 h TYR 674 CO 0.03 0.18 0.29 0.28 -1.64 0.00 0.00 178.16 177.29 1io8 h VAL 675 N -0.37 1.13 -0.45 1.81 2.07 -1.38 -1.83 116.25 117.24 1io8 h VAL 675 Ca -0.01 -0.28 0.07 0.00 0.82 0.00 0.00 66.70 67.30 1io8 h VAL 675 Cb 0.32 0.50 -0.06 0.00 -1.52 0.00 0.00 31.29 30.53 1io8 h VAL 675 CO 0.02 0.13 0.11 0.50 0.02 0.00 0.00 177.57 178.35 1io8 h LYS 676 N 0.61 0.25 0.00 1.57 3.64 -1.34 0.15 116.57 121.46 1io8 h LYS 676 Ca 0.16 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 1io8 h LYS 676 Cb -0.03 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 31.73 1io8 h LYS 676 CO -0.03 0.17 0.00 -0.25 -2.27 0.00 0.00 179.45 177.06 1io8 n ASP 677 N -5.07 0.00 -0.28 4.20 9.92 -0.15 -2.32 116.55 122.85 1io8 n ASP 677 Ca 0.04 0.14 0.06 0.00 -0.53 0.00 0.00 54.79 54.51 1io8 n ASP 677 Cb 0.20 -0.28 0.09 0.00 -0.64 0.00 0.00 41.12 40.49 1io8 n ASP 677 CO 0.00 0.00 0.00 1.41 0.13 0.00 0.00 177.20 178.74 1io8 n HIS 678 N -1.28 0.00 0.60 1.24 8.25 0.45 -4.74 115.22 119.74 1io8 n HIS 678 Ca 0.05 -0.69 0.08 0.00 -0.26 0.00 0.00 57.72 56.89 1io8 n HIS 678 Cb 0.08 -0.12 0.35 0.00 1.12 0.00 0.00 29.99 31.42 1io8 n HIS 678 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1io8 n LEU 679 N -0.90 0.00 -1.89 2.41 4.32 -0.65 -2.19 117.00 118.10 1io8 n LEU 679 Ca 0.11 0.45 0.03 0.00 -0.02 0.00 0.00 56.01 56.58 1io8 n LEU 679 Cb 0.68 -0.45 0.37 0.00 -1.62 0.00 0.00 43.42 42.40 1io8 n LEU 679 CO 0.00 -0.21 0.92 -0.46 -1.22 0.00 0.00 177.39 176.43 1io8 n ASN 680 N -1.45 5.41 -0.06 -1.43 2.04 -1.26 -4.60 115.26 113.92 1io8 n ASN 680 Ca 0.05 -3.03 0.25 0.00 -0.44 0.00 0.00 54.58 51.41 1io8 n ASN 680 Cb 0.17 -0.70 0.66 0.00 -2.53 0.00 0.00 39.78 37.38 1io8 n ASN 680 CO 0.00 0.00 0.00 0.28 -0.44 0.00 0.00 177.26 177.10 1io8 h SER 681 N 3.52 0.00 0.00 0.53 0.02 -1.76 -3.45 113.55 112.41 1io8 h SER 681 Ca 0.08 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 1io8 h SER 681 Cb 2.08 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.62 1io8 h SER 681 CO 0.56 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.86 1io8 n GLY 682 N -1.60 2.81 3.76 -3.77 0.00 -1.26 -4.91 105.19 100.22 1io8 n GLY 682 Ca 0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 1io8 n GLY 682 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1io8 s THR 683 N -2.48 2.97 0.23 2.61 -4.23 -1.26 -4.73 115.64 108.75 1io8 s THR 683 Ca 0.00 0.51 -0.14 0.00 -1.18 0.00 0.00 61.69 60.88 1io8 s THR 683 Cb 0.00 -3.07 0.28 0.00 1.34 0.00 0.00 72.50 71.05 1io8 s THR 683 CO 0.00 -0.23 1.59 -0.08 -0.54 0.00 0.00 174.62 175.36 1io8 h GLU 684 N 0.32 -0.04 0.01 3.99 4.81 -1.95 0.18 114.58 121.92 1io8 h GLU 684 Ca -0.48 0.00 -0.23 0.00 -0.13 0.00 0.00 59.36 58.52 1io8 h GLU 684 Cb 1.27 0.01 0.02 0.00 0.63 0.00 0.00 28.75 30.67 1io8 h GLU 684 CO 0.54 -0.02 -0.92 0.28 -0.73 0.00 0.00 179.01 178.15 1io8 h VAL 685 N -0.04 1.33 -0.73 0.32 2.07 -1.92 -1.82 116.25 115.46 1io8 h VAL 685 Ca 0.35 -2.22 0.00 0.00 0.82 0.00 0.00 66.70 65.65 1io8 h VAL 685 Cb 0.58 2.50 -0.04 0.00 -1.52 0.00 0.00 31.29 32.81 1io8 h VAL 685 CO -0.82 0.67 0.46 0.58 0.02 0.00 0.00 177.57 178.48 1io8 h VAL 686 N 0.21 1.20 -0.23 2.57 2.07 -1.82 -0.52 116.25 119.73 1io8 h VAL 686 Ca -0.12 -0.42 0.00 0.00 0.82 0.00 0.00 66.70 66.99 1io8 h VAL 686 Cb 1.60 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 31.53 1io8 h VAL 686 CO 0.18 0.20 0.15 0.28 0.02 0.00 0.00 177.57 178.40 1io8 h SER 687 N 0.99 0.26 -0.07 0.57 0.02 -0.65 0.40 113.55 115.08 1io8 h SER 687 Ca 0.26 -0.01 0.01 0.00 -0.84 0.00 0.00 61.79 61.21 1io8 h SER 687 Cb -0.06 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.40 1io8 h SER 687 CO -0.05 0.19 0.02 -0.09 -1.14 0.00 0.00 176.83 175.76 1io8 h ARG 688 N 0.31 0.05 0.27 3.45 2.43 -0.99 -0.22 114.38 119.68 1io8 h ARG 688 Ca 0.08 -0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.25 1io8 h ARG 688 Cb -0.03 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.49 1io8 h ARG 688 CO -0.02 0.04 -0.24 0.28 -1.51 0.00 0.00 179.97 178.52 1io8 h VAL 689 N 0.06 0.49 -0.40 0.20 2.07 -0.87 0.11 116.25 117.90 1io8 h VAL 689 Ca 0.03 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.65 1io8 h VAL 689 Cb 0.02 0.49 -0.02 0.00 -1.52 0.00 0.00 31.29 30.25 1io8 h VAL 689 CO -0.03 0.00 0.28 1.62 0.02 0.00 0.00 177.57 179.46 1io8 h VAL 690 N -0.53 0.85 -0.01 2.57 3.04 -0.81 -0.69 116.25 120.67 1io8 h VAL 690 Ca -0.01 -0.04 0.00 0.00 -1.01 0.00 0.00 66.70 65.64 1io8 h VAL 690 Cb 0.48 0.73 0.00 0.00 -2.01 0.00 0.00 31.29 30.49 1io8 h VAL 690 CO -0.03 0.02 -0.33 0.59 -1.01 0.00 0.00 177.57 176.81 1io8 n ASN 691 N -4.45 1.56 -3.68 3.17 4.13 -0.11 -4.95 115.26 110.95 1io8 n ASN 691 Ca 0.06 -1.23 -0.30 0.00 1.68 0.00 0.00 54.58 54.78 1io8 n ASN 691 Cb 0.40 0.27 0.24 0.00 -1.54 0.00 0.00 39.78 39.16 1io8 n ASN 691 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 1io8 s SER 692 N -2.45 1.02 0.00 6.41 1.04 0.35 -4.94 113.70 115.12 1io8 s SER 692 Ca 0.23 0.42 0.13 0.00 0.48 0.00 0.00 55.95 57.21 1io8 s SER 692 Cb 0.19 -0.51 0.40 0.00 0.10 0.00 0.00 66.02 66.19 1io8 s SER 692 CO 0.53 -4.04 1.32 -0.46 0.98 0.00 0.00 173.24 171.57 1io8 n ASN 693 N -4.67 2.11 -4.74 7.02 2.04 -1.26 -4.94 115.26 110.82 1io8 n ASN 693 Ca 0.16 -1.97 -0.33 0.00 -0.44 0.00 0.00 54.58 52.00 1io8 n ASN 693 Cb 0.60 -0.25 0.08 0.00 -2.53 0.00 0.00 39.78 37.68 1io8 n ASN 693 CO 0.00 0.00 0.00 -0.76 -0.44 0.00 0.00 177.26 176.06 1io8 s LEU 694 N -1.07 3.23 1.16 -4.53 1.43 -1.26 -5.00 118.68 112.65 1io8 s LEU 694 Ca 0.28 2.10 -0.18 0.00 -1.03 0.00 0.00 54.13 55.29 1io8 s LEU 694 Cb 0.14 -4.56 0.27 0.00 0.03 0.00 0.00 46.19 42.07 1io8 s LEU 694 CO 0.19 -2.09 1.12 -0.94 0.23 0.00 0.00 176.35 174.87 1io8 s SER 695 N -2.57 1.27 0.02 2.29 1.04 -1.26 -4.78 113.70 109.70 1io8 s SER 695 Ca 0.68 0.67 -0.26 0.00 0.48 0.00 0.00 55.95 57.52 1io8 s SER 695 Cb -0.23 -0.95 -0.17 0.00 0.10 0.00 0.00 66.02 64.77 1io8 s SER 695 CO 0.47 -3.91 1.30 0.44 0.98 0.00 0.00 173.24 172.52 1io8 h ASP 696 N -2.44 -0.40 -0.82 7.02 5.19 -1.95 -2.15 116.42 120.87 1io8 h ASP 696 Ca -0.46 -0.13 0.19 0.00 -0.62 0.00 0.00 57.03 56.00 1io8 h ASP 696 Cb 1.30 0.10 -0.12 0.00 0.18 0.00 0.00 39.33 40.79 1io8 h ASP 696 CO 0.37 -0.07 0.27 0.40 -3.12 0.00 0.00 179.24 177.10 1io8 h ILE 697 N -0.75 0.49 -0.36 0.35 2.04 -1.94 -0.86 117.51 116.48 1io8 h ILE 697 Ca -0.05 -0.11 -0.08 0.00 1.00 0.00 0.00 64.86 65.62 1io8 h ILE 697 Cb 0.51 0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.70 1io8 h ILE 697 CO 0.08 0.06 -0.07 -0.33 0.00 0.00 0.00 178.15 177.88 1io8 h GLU 698 N 0.33 0.69 -0.86 2.37 5.08 -1.81 -1.57 114.58 118.81 1io8 h GLU 698 Ca 0.49 -0.26 -0.02 0.00 -1.00 0.00 0.00 59.36 58.56 1io8 h GLU 698 Cb 0.88 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 30.04 1io8 h GLU 698 CO -0.53 0.84 0.44 0.87 -1.00 0.00 0.00 179.01 179.64 1io8 h LYS 699 N 0.49 1.22 -0.61 2.33 1.57 -0.62 0.12 116.57 121.08 1io8 h LYS 699 Ca 0.09 -0.16 -0.07 0.00 -1.87 0.00 0.00 60.65 58.64 1io8 h LYS 699 Cb 0.58 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.63 1io8 h LYS 699 CO 0.03 0.92 0.09 -0.07 -0.57 0.00 0.00 179.45 179.85 1io8 h LEU 700 N 1.22 0.97 -0.28 2.94 4.07 -1.09 -2.37 115.31 120.77 1io8 h LEU 700 Ca 0.30 -0.27 -0.03 0.00 0.08 0.00 0.00 57.88 57.96 1io8 h LEU 700 Cb 0.08 -0.26 -0.01 0.00 1.08 0.00 0.00 40.66 41.55 1io8 h LEU 700 CO -0.04 0.99 0.04 1.23 -1.08 0.00 0.00 178.44 179.58 1io8 h GLY 701 N 0.91 0.50 0.44 0.83 0.00 -0.56 -2.13 103.07 103.07 1io8 h GLY 701 Ca 0.18 -0.34 0.10 0.00 0.00 0.00 0.00 47.33 47.27 1io8 h GLY 701 CO 0.01 0.32 0.40 -1.82 0.00 0.00 0.00 176.54 175.45 1io8 h TYR 702 N 0.28 0.71 -0.20 5.60 5.03 -0.64 0.84 116.97 128.59 1io8 h TYR 702 Ca 0.08 0.03 -0.19 0.00 2.58 0.00 0.00 58.73 61.24 1io8 h TYR 702 Cb 0.35 -0.20 0.00 0.00 1.55 0.00 0.00 36.73 38.43 1io8 h TYR 702 CO 0.02 0.25 -0.63 0.82 -1.32 0.00 0.00 178.16 177.31 1io8 h ILE 703 N 0.66 1.30 -0.32 1.81 1.08 -1.33 -2.06 117.51 118.65 1io8 h ILE 703 Ca 0.38 -1.86 -0.02 0.00 -0.39 0.00 0.00 64.86 62.97 1io8 h ILE 703 Cb 0.42 1.82 -0.01 0.00 -3.07 0.00 0.00 36.82 35.97 1io8 h ILE 703 CO -0.28 0.59 0.12 0.40 -0.69 0.00 0.00 178.15 178.28 1io8 h ILE 704 N 0.52 1.19 0.08 -0.67 2.04 -0.68 0.40 117.51 120.40 1io8 h ILE 704 Ca -0.01 -0.60 0.01 0.00 1.00 0.00 0.00 64.86 65.26 1io8 h ILE 704 Cb 1.22 0.99 -0.02 0.00 -0.74 0.00 0.00 36.82 38.27 1io8 h ILE 704 CO 0.13 0.21 -0.16 0.25 0.00 0.00 0.00 178.15 178.57 1io8 h LEU 705 N 0.36 -0.45 -1.26 1.44 5.85 -0.86 0.64 115.31 121.04 1io8 h LEU 705 Ca 0.11 0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.89 1io8 h LEU 705 Cb 0.21 0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.37 1io8 h LEU 705 CO -0.01 -0.23 0.50 -0.07 -0.34 0.00 0.00 178.44 178.29 1io8 h LEU 706 N -0.31 0.85 -0.04 2.25 3.38 -1.18 0.19 115.31 120.46 1io8 h LEU 706 Ca 0.03 -0.02 -0.26 0.00 0.09 0.00 0.00 57.88 57.72 1io8 h LEU 706 Cb 0.33 -0.21 0.02 0.00 0.09 0.00 0.00 40.66 40.89 1io8 h LEU 706 CO -0.10 0.61 -0.99 0.25 0.09 0.00 0.00 178.44 178.31 1io8 h LEU 707 N 1.00 0.92 0.00 1.67 5.85 0.60 -3.40 115.31 121.96 1io8 h LEU 707 Ca 0.28 -0.71 -0.34 0.00 0.84 0.00 0.00 57.88 57.95 1io8 h LEU 707 Cb -0.08 -0.28 -0.06 0.00 0.37 0.00 0.00 40.66 40.61 1io8 h LEU 707 CO -0.07 1.51 -2.13 -0.38 -0.34 0.00 0.00 178.44 177.03 1io8 n ILE 708 N -3.87 1.49 0.31 4.05 5.41 0.22 -4.63 119.36 122.34 1io8 n ILE 708 Ca -0.10 -0.82 0.13 0.00 1.00 0.00 0.00 62.75 62.96 1io8 n ILE 708 Cb 0.85 -0.75 0.66 0.00 -0.71 0.00 0.00 39.64 39.70 1io8 n ILE 708 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1io8 h ALA 709 N 0.93 1.53 0.00 -1.39 0.00 -0.79 -2.99 119.26 116.55 1io8 h ALA 709 Ca -0.45 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1io8 h ALA 709 Cb 2.14 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.94 1io8 h ALA 709 CO 0.04 -0.50 0.00 0.41 0.00 0.00 0.00 179.25 179.21 1io8 n GLY 710 N -1.30 0.83 0.08 0.00 0.00 -1.26 -4.68 105.19 98.87 1io8 n GLY 710 Ca -0.01 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.99 1io8 n GLY 710 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1io8 h ASN 711 N 0.00 -0.12 -0.89 1.61 2.35 -1.80 -2.29 115.58 114.44 1io8 h ASN 711 Ca 0.00 0.00 0.01 0.00 -0.55 0.00 0.00 56.30 55.76 1io8 h ASN 711 Cb 0.42 0.03 -0.04 0.00 0.05 0.00 0.00 38.32 38.77 1io8 h ASN 711 CO 0.00 0.19 0.58 -0.08 -1.65 0.00 0.00 177.43 176.48 1io8 h GLU 712 N -0.70 1.17 -0.54 0.81 4.81 -1.89 -0.11 114.58 118.14 1io8 h GLU 712 Ca -0.01 -0.07 -0.06 0.00 -0.13 0.00 0.00 59.36 59.08 1io8 h GLU 712 Cb 0.11 -0.26 -0.02 0.00 0.63 0.00 0.00 28.75 29.20 1io8 h GLU 712 CO 0.02 0.78 0.09 1.79 -0.73 0.00 0.00 179.01 180.97 1io8 h THR 713 N 1.21 1.25 0.00 0.32 1.35 -1.84 0.21 112.91 115.41 1io8 h THR 713 Ca 0.32 -0.95 -0.16 0.00 -0.55 0.00 0.00 66.41 65.08 1io8 h THR 713 Cb -0.13 0.83 -0.02 0.00 -1.73 0.00 0.00 68.15 67.09 1io8 h THR 713 CO -0.07 0.34 -0.75 0.74 -0.25 0.00 0.00 175.52 175.53 1io8 h THR 714 N 0.78 1.51 -0.40 6.82 2.02 -1.24 -1.93 112.91 120.46 1io8 h THR 714 Ca 0.16 -2.60 -0.07 0.00 0.77 0.00 0.00 66.41 64.67 1io8 h THR 714 Cb 0.40 2.42 -0.01 0.00 -1.74 0.00 0.00 68.15 69.21 1io8 h THR 714 CO 0.01 0.74 -0.03 0.74 0.37 0.00 0.00 175.52 177.35 1io8 h THR 715 N 0.00 1.27 -0.20 3.16 2.02 -0.85 -2.57 112.91 115.73 1io8 h THR 715 Ca -0.01 -1.07 -0.00 0.00 0.77 0.00 0.00 66.41 66.10 1io8 h THR 715 Cb 1.36 1.15 -0.01 0.00 -1.74 0.00 0.00 68.15 68.90 1io8 h THR 715 CO 0.10 0.36 0.13 0.78 0.37 0.00 0.00 175.52 177.25 1io8 h ASN 716 N 0.56 0.24 -0.65 4.18 2.35 -0.75 -1.68 115.58 119.83 1io8 h ASN 716 Ca 0.11 -0.04 0.09 0.00 -0.55 0.00 0.00 56.30 55.91 1io8 h ASN 716 Cb 0.52 -0.06 -0.04 0.00 0.05 0.00 0.00 38.32 38.79 1io8 h ASN 716 CO 0.03 0.21 0.43 0.25 -1.65 0.00 0.00 177.43 176.69 1io8 h LEU 717 N 0.25 0.46 0.05 1.61 5.85 -1.25 0.95 115.31 123.24 1io8 h LEU 717 Ca 0.07 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.80 1io8 h LEU 717 Cb 0.01 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 40.95 1io8 h LEU 717 CO -0.01 0.28 -0.02 0.40 -0.34 0.00 0.00 178.44 178.74 1io8 h ILE 718 N 0.52 1.27 0.19 4.05 2.04 -1.02 -2.74 117.51 121.81 1io8 h ILE 718 Ca 0.30 -1.16 0.01 0.00 1.00 0.00 0.00 64.86 65.00 1io8 h ILE 718 Cb 0.48 2.02 -0.02 0.00 -0.74 0.00 0.00 36.82 38.56 1io8 h ILE 718 CO -0.09 0.29 -0.22 0.28 0.00 0.00 0.00 178.15 178.41 1io8 h SER 719 N -0.60 -0.59 -0.38 1.72 0.02 -0.78 -1.94 113.55 111.01 1io8 h SER 719 Ca -0.01 0.06 0.06 0.00 -0.84 0.00 0.00 61.79 61.06 1io8 h SER 719 Cb 0.52 0.21 -0.02 0.00 0.14 0.00 0.00 62.40 63.26 1io8 h SER 719 CO 0.01 -0.32 0.26 0.78 -1.14 0.00 0.00 176.83 176.42 1io8 h ASN 720 N -0.45 0.21 -0.12 3.07 2.35 -0.93 -1.45 115.58 118.27 1io8 h ASN 720 Ca 0.01 0.00 -0.21 0.00 -0.55 0.00 0.00 56.30 55.55 1io8 h ASN 720 Cb 0.44 -0.05 0.01 0.00 0.05 0.00 0.00 38.32 38.77 1io8 h ASN 720 CO -0.07 0.14 -0.74 0.28 -1.65 0.00 0.00 177.43 175.39 1io8 h SER 721 N 0.24 0.85 -0.33 5.81 0.02 -1.16 0.31 113.55 119.30 1io8 h SER 721 Ca 0.17 -0.65 -0.01 0.00 -0.84 0.00 0.00 61.79 60.46 1io8 h SER 721 Cb 0.36 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.63 1io8 h SER 721 CO -0.03 1.37 0.17 0.58 -1.14 0.00 0.00 176.83 177.78 1io8 h VAL 722 N 0.40 1.15 -0.05 2.27 2.07 -0.62 -0.38 116.25 121.08 1io8 h VAL 722 Ca -0.06 -0.40 -0.01 0.00 0.82 0.00 0.00 66.70 67.06 1io8 h VAL 722 Cb 1.38 0.81 -0.00 0.00 -1.52 0.00 0.00 31.29 31.95 1io8 h VAL 722 CO 0.15 0.15 0.01 -0.29 0.02 0.00 0.00 177.57 177.61 1io8 h ILE 723 N 0.41 1.21 -0.61 4.57 6.09 -1.28 -1.93 117.51 125.96 1io8 h ILE 723 Ca 0.12 -0.65 -0.04 0.00 -1.37 0.00 0.00 64.86 62.91 1io8 h ILE 723 Cb 0.09 1.55 -0.03 0.00 0.47 0.00 0.00 36.82 38.90 1io8 h ILE 723 CO -0.02 0.18 0.21 0.44 -3.07 0.00 0.00 178.15 175.89 1io8 h ASP 724 N -0.16 0.84 0.76 2.19 3.45 -0.85 0.38 116.42 123.03 1io8 h ASP 724 Ca 0.02 -0.13 -0.09 0.00 0.43 0.00 0.00 57.03 57.25 1io8 h ASP 724 Cb 0.28 -0.22 -0.01 0.00 -0.56 0.00 0.00 39.33 38.82 1io8 h ASP 724 CO 0.00 0.78 -0.45 -0.26 -1.57 0.00 0.00 179.24 177.74 1io8 h PHE 725 N 0.89 0.00 0.00 4.55 0.04 -1.04 -2.05 116.94 119.33 1io8 h PHE 725 Ca 0.20 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.96 1io8 h PHE 725 Cb 0.22 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.37 1io8 h PHE 725 CO 0.02 0.45 -0.10 1.15 -0.60 0.00 0.00 178.31 179.23 1io8 h THR 726 N 0.00 1.46 -0.22 -1.55 2.02 -0.68 0.54 112.91 114.48 1io8 h THR 726 Ca -0.00 -2.13 0.06 0.00 0.77 0.00 0.00 66.41 65.10 1io8 h THR 726 Cb 0.96 2.79 -0.07 0.00 -1.74 0.00 0.00 68.15 70.09 1io8 h THR 726 CO 0.06 0.49 -0.22 0.03 0.37 0.00 0.00 175.52 176.25 1io8 h ARG 727 N -1.00 -0.23 -0.18 6.66 2.47 -0.29 -0.01 114.38 121.81 1io8 h ARG 727 Ca -0.03 0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.71 1io8 h ARG 727 Cb 0.88 0.05 0.00 0.00 -1.65 0.00 0.00 29.97 29.25 1io8 h ARG 727 CO -0.02 -0.15 0.00 1.19 0.56 0.00 0.00 179.97 181.55 1io8 n PHE 728 N -5.36 0.23 -3.99 3.04 3.72 -0.77 -4.93 117.46 109.40 1io8 n PHE 728 Ca -0.01 -0.12 -0.41 0.00 -0.05 0.00 0.00 57.45 56.86 1io8 n PHE 728 Cb 0.28 0.00 0.02 0.00 -0.94 0.00 0.00 39.48 38.84 1io8 n PHE 728 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 1io8 n ASN 729 N 0.02 -4.40 -0.35 4.37 4.05 -0.02 -4.91 115.26 114.01 1io8 n ASN 729 Ca 0.07 -1.21 0.09 0.00 0.45 0.00 0.00 54.58 53.99 1io8 n ASN 729 Cb 0.16 -1.79 -0.02 0.00 1.23 0.00 0.00 39.78 39.36 1io8 n ASN 729 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 1io8 n LEU 730 N -4.46 1.65 -0.17 1.20 4.77 0.19 -4.64 117.00 115.53 1io8 n LEU 730 Ca -0.15 -0.72 -0.02 0.00 -0.03 0.00 0.00 56.01 55.09 1io8 n LEU 730 Cb 0.59 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.74 1io8 n LEU 730 CO 0.72 0.32 0.80 -0.50 -1.33 0.00 0.00 177.39 177.40 1io8 h TRP 731 N 1.74 -0.15 -0.37 -1.77 4.06 -1.91 0.57 115.95 118.12 1io8 h TRP 731 Ca 0.00 0.04 0.03 0.00 2.06 0.00 0.00 58.89 61.02 1io8 h TRP 731 Cb 0.60 0.15 -0.03 0.00 -1.00 0.00 0.00 29.16 28.88 1io8 h TRP 731 CO 0.00 -0.18 0.18 0.37 -3.56 0.00 0.00 178.44 175.26 1io8 h GLN 732 N 0.06 0.36 -0.36 0.49 5.75 -1.94 -1.54 115.11 117.93 1io8 h GLN 732 Ca 0.26 -0.02 -0.01 0.00 -0.15 0.00 0.00 58.65 58.73 1io8 h GLN 732 Cb 0.41 -0.08 -0.02 0.00 1.07 0.00 0.00 27.48 28.86 1io8 h GLN 732 CO -0.49 0.24 0.18 -0.09 -2.65 0.00 0.00 178.83 176.02 1io8 h ARG 733 N 0.37 0.52 -0.65 1.69 1.12 -1.64 -1.61 114.38 114.18 1io8 h ARG 733 Ca 0.16 -0.07 0.02 0.00 -1.11 0.00 0.00 59.98 58.97 1io8 h ARG 733 Cb 0.07 -0.09 -0.04 0.00 -0.01 0.00 0.00 29.97 29.89 1io8 h ARG 733 CO -0.11 0.46 0.41 0.82 -3.11 0.00 0.00 179.97 178.44 1io8 h ILE 734 N 0.45 1.11 0.90 1.20 2.04 -0.64 0.65 117.51 123.21 1io8 h ILE 734 Ca 0.12 -0.28 -0.04 0.00 1.00 0.00 0.00 64.86 65.66 1io8 h ILE 734 Cb 0.11 0.22 0.01 0.00 -0.74 0.00 0.00 36.82 36.42 1io8 h ILE 734 CO -0.02 0.15 -0.43 0.03 0.00 0.00 0.00 178.15 177.88 1io8 h ARG 735 N 0.82 -1.17 -0.90 2.37 3.08 -1.12 0.39 114.38 117.85 1io8 h ARG 735 Ca 0.26 0.08 0.08 0.00 0.07 0.00 0.00 59.98 60.47 1io8 h ARG 735 Cb -0.01 0.27 -0.07 0.00 0.08 0.00 0.00 29.97 30.23 1io8 h ARG 735 CO -0.09 -0.78 0.55 0.93 -1.07 0.00 0.00 179.97 179.51 1io8 h GLU 736 N -1.29 0.94 -0.41 0.04 5.08 -1.16 -2.47 114.58 115.31 1io8 h GLU 736 Ca -0.12 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.18 1io8 h GLU 736 Cb 0.93 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.97 1io8 h GLU 736 CO 0.20 0.62 0.00 0.39 -1.00 0.00 0.00 179.01 179.22 1io8 n GLU 737 N -4.63 2.41 -3.72 2.33 1.02 0.21 -4.99 120.64 113.26 1io8 n GLU 737 Ca 0.14 -2.19 -0.33 0.00 -0.02 0.00 0.00 57.16 54.77 1io8 n GLU 737 Cb 0.23 -1.44 0.04 0.00 -0.02 0.00 0.00 31.44 30.26 1io8 n GLU 737 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1io8 n ASN 738 N 1.21 -5.24 -1.02 1.62 5.15 0.12 -4.87 115.26 112.23 1io8 n ASN 738 Ca 0.17 -1.04 0.06 0.00 -0.60 0.00 0.00 54.58 53.17 1io8 n ASN 738 Cb 0.53 -3.17 0.21 0.00 -0.53 0.00 0.00 39.78 36.83 1io8 n ASN 738 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1io8 n LEU 739 N -4.22 2.93 -0.09 1.20 4.77 -0.21 -4.61 117.00 116.77 1io8 n LEU 739 Ca -0.10 -1.48 -0.09 0.00 -0.03 0.00 0.00 56.01 54.32 1io8 n LEU 739 Cb 0.59 -0.42 -0.03 0.00 -2.33 0.00 0.00 43.42 41.22 1io8 n LEU 739 CO 0.68 0.54 0.62 1.88 -1.33 0.00 0.00 177.39 179.77 1io8 h TYR 740 N 2.46 -1.03 0.32 -1.77 0.05 -1.90 0.99 116.97 116.10 1io8 h TYR 740 Ca 0.00 0.06 0.00 0.00 0.05 0.00 0.00 58.73 58.84 1io8 h TYR 740 Cb 0.91 0.50 -0.03 0.00 1.01 0.00 0.00 36.73 39.12 1io8 h TYR 740 CO 0.44 -0.41 -0.44 -0.07 -1.05 0.00 0.00 178.16 176.63 1io8 h LEU 741 N -0.32 -1.23 -0.73 3.88 -0.00 -1.96 -1.43 115.31 113.52 1io8 h LEU 741 Ca 0.14 0.11 -0.07 0.00 -0.00 0.00 0.00 57.88 58.07 1io8 h LEU 741 Cb 0.56 0.43 -0.03 0.00 -0.00 0.00 0.00 40.66 41.62 1io8 h LEU 741 CO -0.51 -0.56 0.19 0.11 -0.00 0.00 0.00 178.44 177.68 1io8 h LYS 742 N -0.81 1.16 -0.26 1.13 1.57 -1.71 -2.03 116.57 115.62 1io8 h LYS 742 Ca -0.02 -0.27 -0.07 0.00 -1.87 0.00 0.00 60.65 58.42 1io8 h LYS 742 Cb 0.75 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.89 1io8 h LYS 742 CO -0.13 1.00 -0.15 0.00 -0.57 0.00 0.00 179.45 179.60 1io8 h ALA 743 N 1.10 1.26 -0.02 3.86 0.00 0.19 -1.19 119.26 124.46 1io8 h ALA 743 Ca 0.23 -0.28 -0.21 0.00 0.00 0.00 0.00 54.91 54.65 1io8 h ALA 743 Cb 0.36 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 1io8 h ALA 743 CO -0.00 0.49 -0.88 0.82 0.00 0.00 0.00 179.25 179.68 1io8 h ILE 744 N 0.42 1.40 -0.29 0.00 2.04 -1.07 -0.19 117.51 119.82 1io8 h ILE 744 Ca 0.08 -2.39 -0.09 0.00 1.00 0.00 0.00 64.86 63.46 1io8 h ILE 744 Cb 0.51 2.34 -0.01 0.00 -0.74 0.00 0.00 36.82 38.92 1io8 h ILE 744 CO 0.03 0.71 -0.21 -0.33 0.00 0.00 0.00 178.15 178.35 1io8 h GLU 745 N 0.23 0.54 -0.09 2.37 4.39 -1.11 0.21 114.58 121.12 1io8 h GLU 745 Ca -0.06 -0.20 -0.15 0.00 0.34 0.00 0.00 59.36 59.29 1io8 h GLU 745 Cb 1.50 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 30.10 1io8 h GLU 745 CO 0.15 0.72 -0.60 1.49 -1.16 0.00 0.00 179.01 179.61 1io8 h GLU 746 N 0.49 0.32 -0.61 2.33 4.57 -1.06 -1.05 114.58 119.56 1io8 h GLU 746 Ca 0.08 -0.22 -0.09 0.00 -1.18 0.00 0.00 59.36 57.94 1io8 h GLU 746 Cb 0.64 0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.24 1io8 h GLU 746 CO 0.05 0.83 0.01 0.00 -1.18 0.00 0.00 179.01 178.72 1io8 h ALA 747 N 1.12 0.82 -0.88 2.92 0.00 -0.38 0.33 119.26 123.19 1io8 h ALA 747 Ca -0.01 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 1io8 h ALA 747 Cb 1.12 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.64 1io8 h ALA 747 CO 0.10 0.65 0.54 -0.07 0.00 0.00 0.00 179.25 180.46 1io8 h LEU 748 N 0.97 1.05 -0.08 0.00 3.38 -0.23 0.20 115.31 120.61 1io8 h LEU 748 Ca 0.17 -0.06 -0.07 0.00 0.09 0.00 0.00 57.88 58.01 1io8 h LEU 748 Cb 0.54 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1io8 h LEU 748 CO 0.03 0.81 -0.22 -0.09 0.09 0.00 0.00 178.44 179.05 1io8 h ARG 749 N 1.21 0.29 -0.07 1.13 2.43 -0.55 -2.87 114.38 115.94 1io8 h ARG 749 Ca 0.32 -0.20 -0.20 0.00 -0.81 0.00 0.00 59.98 59.09 1io8 h ARG 749 Cb -0.06 0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.52 1io8 h ARG 749 CO -0.06 0.82 -0.78 -0.92 -1.51 0.00 0.00 179.97 177.53 1io8 h TYR 750 N -0.20 0.63 -2.15 2.20 5.03 -0.26 -3.37 116.97 118.85 1io8 h TYR 750 Ca -0.01 -0.29 -0.57 0.00 2.58 0.00 0.00 58.73 60.45 1io8 h TYR 750 Cb 0.84 -0.09 -0.41 0.00 1.55 0.00 0.00 36.73 38.62 1io8 h TYR 750 CO 0.12 1.07 -0.82 0.43 -1.32 0.00 0.00 178.16 177.64 1io8 n SER 751 N -3.83 2.83 -4.62 -2.11 7.64 0.70 -5.07 113.62 109.15 1io8 n SER 751 Ca -0.05 -3.32 -0.48 0.00 1.01 0.00 0.00 58.87 56.03 1io8 n SER 751 Cb 0.74 -0.62 -0.05 0.00 -1.01 0.00 0.00 64.21 63.27 1io8 n SER 751 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1io8 n PRO 752 N 0.45 1.85 -0.29 1.43 -0.04 -1.08 -4.71 135.00 132.61 1io8 n PRO 752 Ca 0.28 0.63 0.06 0.00 -0.04 0.00 0.00 63.50 64.43 1io8 n PRO 752 Cb 0.47 -2.68 0.28 0.00 -0.04 0.00 0.00 33.50 31.54 1io8 n PRO 752 CO 0.00 0.00 0.00 -1.35 -0.04 0.00 0.00 175.50 174.11 1io8 h PRO 753 N 10.80 0.90 -4.80 0.54 0.11 -1.83 -3.34 132.00 134.38 1io8 h PRO 753 Ca -0.42 -0.05 -0.68 0.00 0.11 0.00 0.00 66.00 64.95 1io8 h PRO 753 Cb 1.28 -0.20 -0.26 0.00 0.11 0.00 0.00 31.00 31.93 1io8 h PRO 753 CO 0.97 0.60 -0.61 0.08 -0.21 0.00 0.00 178.00 178.82 1io8 s VAL 754 N -5.84 4.08 -0.25 3.15 1.01 -1.26 0.21 120.40 121.49 1io8 s VAL 754 Ca -0.11 -0.66 0.21 0.00 0.00 0.00 0.00 61.98 61.42 1io8 s VAL 754 Cb 0.21 -3.11 0.23 0.00 0.00 0.00 0.00 36.38 33.71 1io8 s VAL 754 CO 0.80 0.07 1.59 0.24 0.00 0.00 0.00 175.10 177.79 1io8 h MET 755 N 8.26 0.00 -1.93 2.72 0.00 -0.43 -3.42 114.93 120.12 1io8 h MET 755 Ca -0.31 0.00 0.23 0.00 0.00 0.00 0.00 59.70 59.62 1io8 h MET 755 Cb 1.13 0.00 -0.12 0.00 0.00 0.00 0.00 31.60 32.61 1io8 h MET 755 CO 0.61 0.21 0.64 -0.98 0.00 0.00 0.00 176.91 177.38 1io8 s ARG 756 N -3.18 0.77 0.09 1.72 1.70 -1.26 -1.14 118.95 117.65 1io8 s ARG 756 Ca 0.05 -0.40 0.02 0.00 -0.47 0.00 0.00 55.73 54.93 1io8 s ARG 756 Cb 0.07 0.28 -0.01 0.00 -0.57 0.00 0.00 34.95 34.72 1io8 s ARG 756 CO 0.69 -0.35 0.07 -2.37 -1.08 0.00 0.00 175.30 172.26 1io8 n THR 757 N -0.41 0.00 -3.78 4.99 5.66 -1.13 -4.95 114.28 114.66 1io8 n THR 757 Ca -0.07 -0.63 -0.10 0.00 -3.05 0.00 0.00 64.05 60.21 1io8 n THR 757 Cb 0.61 0.31 -0.07 0.00 -1.55 0.00 0.00 70.33 69.64 1io8 n THR 757 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1io8 s VAL 758 N -2.34 0.11 0.27 1.08 0.11 -1.26 -2.31 120.40 116.06 1io8 s VAL 758 Ca 0.10 -0.93 0.04 0.00 -2.93 0.00 0.00 61.98 58.27 1io8 s VAL 758 Cb 0.00 -1.20 -0.02 0.00 -1.53 0.00 0.00 36.38 33.64 1io8 s VAL 758 CO 0.07 -0.51 0.16 0.54 -3.33 0.00 0.00 175.10 172.02 1io8 n ARG 759 N 0.06 0.49 -3.70 1.54 5.12 -0.48 -4.83 116.66 114.86 1io8 n ARG 759 Ca -0.16 -2.50 -0.15 0.00 -1.93 0.00 0.00 57.85 53.11 1io8 n ARG 759 Cb 0.62 1.68 -0.15 0.00 -1.16 0.00 0.00 32.46 33.45 1io8 n ARG 759 CO 0.00 0.00 0.00 0.21 -1.93 0.00 0.00 177.63 175.91 1io8 s LYS 760 N -3.07 0.07 0.23 5.56 2.20 -0.47 -1.35 119.74 122.92 1io8 s LYS 760 Ca 0.22 0.52 -0.30 0.00 -0.36 0.00 0.00 55.97 56.05 1io8 s LYS 760 Cb 0.01 -0.21 -0.10 0.00 -1.51 0.00 0.00 37.83 36.02 1io8 s LYS 760 CO 0.16 -0.25 1.43 0.95 -0.36 0.00 0.00 175.35 177.27 1io8 s THR 761 N 1.88 2.75 -0.57 3.43 -4.23 0.22 -1.13 115.64 117.99 1io8 s THR 761 Ca -0.02 0.62 0.24 0.00 -1.18 0.00 0.00 61.69 61.36 1io8 s THR 761 Cb -0.12 -3.40 0.26 0.00 1.34 0.00 0.00 72.50 70.59 1io8 s THR 761 CO -0.06 0.09 1.61 0.11 -0.54 0.00 0.00 174.62 175.84 1io8 h LYS 762 N 5.23 0.00 0.00 3.99 1.57 -0.85 0.13 116.57 126.64 1io8 h LYS 762 Ca -0.45 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.32 1io8 h LYS 762 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.53 1io8 h LYS 762 CO 0.79 0.00 0.10 -0.85 -0.57 0.00 0.00 179.45 178.92 1io8 n GLU 763 N -2.61 0.37 -2.47 3.15 0.28 -1.26 -4.66 120.64 113.44 1io8 n GLU 763 Ca 0.04 -0.73 -0.42 0.00 -0.16 0.00 0.00 57.16 55.89 1io8 n GLU 763 Cb 0.48 0.92 -0.03 0.00 1.43 0.00 0.00 31.44 34.24 1io8 n GLU 763 CO 0.00 0.00 0.00 -0.98 -0.16 0.00 0.00 177.13 175.99 1io8 s ARG 764 N -2.03 4.40 0.06 3.44 1.04 -1.26 -3.34 118.95 121.27 1io8 s ARG 764 Ca 0.06 1.68 0.04 0.00 -1.04 0.00 0.00 55.73 56.46 1io8 s ARG 764 Cb -0.02 -3.48 -0.03 0.00 -2.04 0.00 0.00 34.95 29.39 1io8 s ARG 764 CO 0.04 -0.34 -0.11 0.54 -0.04 0.00 0.00 175.30 175.38 1io8 s VAL 765 N 1.71 0.88 -0.24 4.99 0.11 0.17 -4.92 120.40 123.09 1io8 s VAL 765 Ca 0.56 -1.27 -0.12 0.00 -2.93 0.00 0.00 61.98 58.22 1io8 s VAL 765 Cb -0.26 -0.94 -0.05 0.00 -1.53 0.00 0.00 36.38 33.60 1io8 s VAL 765 CO 0.25 -0.33 0.22 -0.54 -3.33 0.00 0.00 175.10 171.37 1io8 s LYS 766 N -1.83 4.07 -0.16 1.54 3.01 -1.26 0.88 119.74 125.98 1io8 s LYS 766 Ca -0.04 -0.18 -0.00 0.00 -1.01 0.00 0.00 55.97 54.74 1io8 s LYS 766 Cb -0.09 -3.56 0.04 0.00 -1.01 0.00 0.00 37.83 33.20 1io8 s LYS 766 CO 0.01 -0.01 -0.07 -1.17 0.51 0.00 0.00 175.35 174.62 1io8 s LEU 767 N 1.27 1.65 0.00 3.17 2.96 -0.13 -4.97 118.68 122.63 1io8 s LEU 767 Ca 0.10 -0.63 0.00 0.00 -0.22 0.00 0.00 54.13 53.38 1io8 s LEU 767 Cb -0.14 -0.97 0.00 0.00 0.50 0.00 0.00 46.19 45.58 1io8 s LEU 767 CO 0.06 -0.16 0.00 0.61 -1.32 0.00 0.00 176.35 175.54 1io8 n GLY 768 N 4.85 2.74 0.27 7.98 0.00 -1.26 -1.33 105.19 118.44 1io8 n GLY 768 Ca -0.13 -0.03 0.04 0.00 0.00 0.00 0.00 46.02 45.90 1io8 n GLY 768 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1io8 n ASP 769 N 9.78 2.50 -4.75 1.61 8.00 -1.26 -5.02 116.55 127.41 1io8 n ASP 769 Ca 0.00 -2.30 -0.23 0.00 0.71 0.00 0.00 54.79 52.97 1io8 n ASP 769 Cb 0.00 -0.19 -0.06 0.00 -0.02 0.00 0.00 41.12 40.85 1io8 n ASP 769 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1io8 s GLN 770 N -1.53 2.67 -0.24 -1.24 -1.52 -0.44 -5.11 119.66 112.25 1io8 s GLN 770 Ca 0.16 -1.17 0.02 0.00 -1.95 0.00 0.00 55.36 52.42 1io8 s GLN 770 Cb 0.12 -2.41 0.05 0.00 -0.22 0.00 0.00 33.01 30.54 1io8 s GLN 770 CO 0.05 0.40 -0.14 0.99 -0.25 0.00 0.00 175.29 176.35 1io8 s THR 771 N -2.15 2.15 -0.17 -0.19 2.01 -1.26 -0.95 115.64 115.09 1io8 s THR 771 Ca 0.32 -1.42 -0.12 0.00 0.31 0.00 0.00 61.69 60.78 1io8 s THR 771 Cb -0.08 -2.16 -0.05 0.00 0.01 0.00 0.00 72.50 70.23 1io8 s THR 771 CO 0.23 0.14 0.23 -0.63 -0.69 0.00 0.00 174.62 173.90 1io8 s ILE 772 N 1.16 5.35 0.73 1.82 1.01 0.25 -4.92 121.20 126.60 1io8 s ILE 772 Ca -0.05 0.40 -0.13 0.00 0.00 0.00 0.00 60.65 60.88 1io8 s ILE 772 Cb -0.18 -3.56 0.03 0.00 0.01 0.00 0.00 42.46 38.76 1io8 s ILE 772 CO -0.07 0.42 1.10 -1.61 0.00 0.00 0.00 174.94 174.78 1io8 s GLU 773 N 0.32 2.45 0.65 2.79 0.41 -1.26 0.43 118.70 124.49 1io8 s GLU 773 Ca 0.13 1.29 -0.16 0.00 -0.41 0.00 0.00 54.97 55.83 1io8 s GLU 773 Cb -0.12 -1.91 -0.00 0.00 -1.78 0.00 0.00 34.13 30.31 1io8 s GLU 773 CO 0.02 -1.51 1.14 -2.00 -0.49 0.00 0.00 175.26 172.42 1io8 s GLU 774 N -4.52 2.73 -0.32 1.61 2.12 -1.21 -3.11 118.70 116.00 1io8 s GLU 774 Ca 0.64 1.55 0.00 0.00 0.36 0.00 0.00 54.97 57.52 1io8 s GLU 774 Cb -0.19 -1.93 0.00 0.00 0.26 0.00 0.00 34.13 32.27 1io8 s GLU 774 CO 0.49 -1.33 0.00 0.41 -0.54 0.00 0.00 175.26 174.29 1io8 n GLY 775 N -0.11 0.53 3.79 -1.50 0.00 0.46 -4.93 105.19 103.43 1io8 n GLY 775 Ca 0.12 -0.17 -0.38 0.00 0.00 0.00 0.00 46.02 45.58 1io8 n GLY 775 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1io8 s GLU 776 N -1.52 4.18 -0.04 1.61 0.41 -1.18 -4.78 118.70 117.38 1io8 s GLU 776 Ca 0.00 0.58 -0.30 0.00 -0.41 0.00 0.00 54.97 54.84 1io8 s GLU 776 Cb 0.00 -3.30 -0.03 0.00 -1.78 0.00 0.00 34.13 29.02 1io8 s GLU 776 CO 0.00 0.48 1.03 0.71 -0.49 0.00 0.00 175.26 176.99 1io8 s TYR 777 N -0.50 3.55 -0.29 1.61 4.12 -1.26 -0.61 117.35 123.98 1io8 s TYR 777 Ca 0.27 1.59 0.00 0.00 0.02 0.00 0.00 57.07 58.95 1io8 s TYR 777 Cb -0.17 -3.20 0.06 0.00 -1.52 0.00 0.00 41.96 37.13 1io8 s TYR 777 CO 0.15 -0.31 -0.04 0.08 0.02 0.00 0.00 175.55 175.45 1io8 s VAL 778 N 1.47 2.63 -0.25 0.71 1.01 -0.45 -2.11 120.40 123.41 1io8 s VAL 778 Ca 0.52 -1.54 -0.22 0.00 0.00 0.00 0.00 61.98 60.73 1io8 s VAL 778 Cb -0.21 -2.55 -0.01 0.00 0.00 0.00 0.00 36.38 33.60 1io8 s VAL 778 CO 0.24 -0.11 0.70 -0.60 0.00 0.00 0.00 175.10 175.33 1io8 s ARG 779 N 1.17 4.14 -0.17 2.72 3.52 0.06 -1.38 118.95 129.02 1io8 s ARG 779 Ca -0.06 0.69 -0.07 0.00 -0.13 0.00 0.00 55.73 56.17 1io8 s ARG 779 Cb -0.20 -3.65 -0.04 0.00 -1.56 0.00 0.00 34.95 29.51 1io8 s ARG 779 CO -0.03 -0.45 0.05 0.14 -0.81 0.00 0.00 175.30 174.20 1io8 s VAL 780 N 2.61 4.67 -0.89 7.11 -7.23 -0.98 -0.64 120.40 125.05 1io8 s VAL 780 Ca 0.29 -0.08 -0.15 0.00 -1.81 0.00 0.00 61.98 60.23 1io8 s VAL 780 Cb -0.15 -3.09 0.19 0.00 0.56 0.00 0.00 36.38 33.89 1io8 s VAL 780 CO 0.08 0.48 0.94 0.26 -0.31 0.00 0.00 175.10 176.55 1io8 s TRP 781 N 0.25 3.55 0.25 2.82 0.52 -0.16 -2.82 118.94 123.36 1io8 s TRP 781 Ca 0.03 -1.82 -0.03 0.00 0.02 0.00 0.00 56.10 54.30 1io8 s TRP 781 Cb -0.12 -4.00 0.48 0.00 -1.15 0.00 0.00 33.47 28.67 1io8 s TRP 781 CO 0.01 -1.18 1.74 0.82 0.02 0.00 0.00 176.95 178.36 1io8 h ILE 782 N 5.09 0.69 -0.57 2.03 2.04 -1.44 -0.39 117.51 124.95 1io8 h ILE 782 Ca 0.14 -0.17 0.04 0.00 1.00 0.00 0.00 64.86 65.86 1io8 h ILE 782 Cb 1.02 0.14 -0.04 0.00 -0.74 0.00 0.00 36.82 37.20 1io8 h ILE 782 CO 0.91 0.09 0.33 0.00 0.00 0.00 0.00 178.15 179.48 1io8 h ALA 783 N 1.55 0.74 -0.13 1.87 0.00 -1.62 -1.09 119.26 120.58 1io8 h ALA 783 Ca 0.43 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.28 1io8 h ALA 783 Cb 0.63 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 1io8 h ALA 783 CO -0.39 0.03 -0.15 1.03 0.00 0.00 0.00 179.25 179.78 1io8 h SER 784 N 0.64 0.35 -0.27 0.00 0.87 -1.65 -3.13 113.55 110.37 1io8 h SER 784 Ca 0.24 -0.49 0.08 0.00 -1.23 0.00 0.00 61.79 60.38 1io8 h SER 784 Cb 0.08 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 61.93 1io8 h SER 784 CO -0.13 0.78 0.25 0.00 -0.53 0.00 0.00 176.83 177.20 1io8 h ALA 785 N 0.59 2.01 0.00 6.23 0.00 -0.82 0.18 119.26 127.46 1io8 h ALA 785 Ca 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1io8 h ALA 785 Cb 0.68 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1io8 h ALA 785 CO 0.04 -0.39 0.00 0.09 0.00 0.00 0.00 179.25 178.99 1io8 n ASN 786 N -3.98 0.66 -0.86 0.00 5.03 -0.44 -3.07 115.26 112.60 1io8 n ASN 786 Ca 0.04 0.58 0.08 0.00 0.87 0.00 0.00 54.58 56.15 1io8 n ASN 786 Cb 0.40 -0.75 0.19 0.00 -1.02 0.00 0.00 39.78 38.60 1io8 n ASN 786 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 1io8 n ARG 787 N -2.14 2.52 -1.64 3.52 5.12 0.63 -4.86 116.66 119.82 1io8 n ARG 787 Ca 0.05 -2.13 -0.43 0.00 -1.93 0.00 0.00 57.85 53.41 1io8 n ARG 787 Cb 0.37 -1.37 -0.03 0.00 -1.16 0.00 0.00 32.46 30.27 1io8 n ARG 787 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 1io8 s ASP 788 N -1.06 5.85 0.50 0.55 -1.08 -1.14 -4.72 116.67 115.58 1io8 s ASP 788 Ca 0.30 2.18 0.15 0.00 -0.52 0.00 0.00 52.55 54.67 1io8 s ASP 788 Cb 0.16 -2.52 1.19 0.00 -1.46 0.00 0.00 42.92 40.30 1io8 s ASP 788 CO 0.22 -1.60 2.12 -0.33 0.52 0.00 0.00 175.17 176.10 1io8 h GLU 789 N 13.26 0.04 0.00 4.34 3.07 -1.94 1.30 114.58 134.65 1io8 h GLU 789 Ca -0.44 -0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.40 1io8 h GLU 789 Cb 1.24 -0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 29.13 1io8 h GLU 789 CO 0.95 0.06 -0.09 0.93 -1.40 0.00 0.00 179.01 179.46 1io8 h GLU 790 N 0.05 0.00 0.00 2.33 4.39 -1.99 -3.35 114.58 116.00 1io8 h GLU 790 Ca 0.01 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.54 1io8 h GLU 790 Cb 0.05 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.67 1io8 h GLU 790 CO 0.00 0.09 -1.62 0.28 -1.16 0.00 0.00 179.01 176.61 1io8 n VAL 791 N -3.19 0.61 -3.59 3.13 0.31 -0.54 -4.89 118.33 110.18 1io8 n VAL 791 Ca 0.01 -0.20 -0.40 0.00 -0.01 0.00 0.00 64.34 63.74 1io8 n VAL 791 Cb 0.41 -1.21 -0.08 0.00 -0.91 0.00 0.00 33.84 32.05 1io8 n VAL 791 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 1io8 s PHE 792 N -2.21 3.48 0.23 3.52 0.08 0.44 -5.05 117.98 118.47 1io8 s PHE 792 Ca -0.15 -2.14 -0.31 0.00 0.12 0.00 0.00 56.93 54.45 1io8 s PHE 792 Cb 0.05 -3.44 -0.11 0.00 -0.57 0.00 0.00 43.02 38.94 1io8 s PHE 792 CO 0.23 -0.96 1.62 -1.58 -0.10 0.00 0.00 175.22 174.43 1io8 s HIS 793 N 0.88 2.91 -1.44 0.36 5.65 -1.26 -1.09 115.29 121.29 1io8 s HIS 793 Ca 0.10 0.60 -0.06 0.00 0.25 0.00 0.00 55.06 55.94 1io8 s HIS 793 Cb -0.23 -4.04 0.01 0.00 -1.18 0.00 0.00 32.58 27.14 1io8 s HIS 793 CO -0.03 -3.76 0.85 -0.25 -0.65 0.00 0.00 174.74 170.91 1io8 n ASP 794 N 3.31 -6.18 0.15 9.88 10.43 -1.26 -4.85 116.55 128.03 1io8 n ASP 794 Ca 0.12 -0.39 0.09 0.00 2.57 0.00 0.00 54.79 57.19 1io8 n ASP 794 Cb 0.37 -4.91 0.51 0.00 1.84 0.00 0.00 41.12 38.93 1io8 n ASP 794 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1io8 n GLY 795 N -1.72 -0.79 0.10 0.44 0.00 -0.25 0.49 105.19 103.46 1io8 n GLY 795 Ca -0.06 0.17 0.13 0.00 0.00 0.00 0.00 46.02 46.26 1io8 n GLY 795 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1io8 n GLU 796 N -2.16 0.40 -3.80 1.61 0.00 -1.26 -4.79 120.64 110.63 1io8 n GLU 796 Ca -0.01 -0.20 -0.37 0.00 0.00 0.00 0.00 57.16 56.58 1io8 n GLU 796 Cb 0.09 -1.50 -0.06 0.00 0.00 0.00 0.00 31.44 29.97 1io8 n GLU 796 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 1io8 s LYS 797 N -2.74 3.59 -0.66 3.44 1.02 0.18 -5.05 119.74 119.52 1io8 s LYS 797 Ca 0.19 -0.05 -0.21 0.00 0.02 0.00 0.00 55.97 55.92 1io8 s LYS 797 Cb 0.19 -3.22 0.09 0.00 -0.52 0.00 0.00 37.83 34.37 1io8 s LYS 797 CO 0.58 0.71 0.88 0.12 -0.92 0.00 0.00 175.35 176.72 1io8 s PHE 798 N -0.89 2.84 -0.50 3.18 5.36 -1.26 -4.97 117.98 121.74 1io8 s PHE 798 Ca 0.16 -0.79 -0.13 0.00 -0.96 0.00 0.00 56.93 55.21 1io8 s PHE 798 Cb -0.13 -4.18 0.11 0.00 -0.34 0.00 0.00 43.02 38.48 1io8 s PHE 798 CO 0.05 -1.50 0.41 0.42 -1.46 0.00 0.00 175.22 173.14 1io8 s ILE 799 N 3.39 4.80 0.66 3.12 1.01 -1.26 -4.95 121.20 127.96 1io8 s ILE 799 Ca 0.19 -1.53 0.37 0.00 0.00 0.00 0.00 60.65 59.68 1io8 s ILE 799 Cb -0.19 -4.06 0.37 0.00 0.01 0.00 0.00 42.46 38.60 1io8 s ILE 799 CO 0.07 -0.77 2.14 1.55 0.00 0.00 0.00 174.94 177.93 1io8 h PRO 800 N 8.68 0.00 -0.16 2.79 0.13 -1.93 -0.99 132.00 140.54 1io8 h PRO 800 Ca -0.26 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.85 1io8 h PRO 800 Cb 1.09 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.21 1io8 h PRO 800 CO 0.93 0.00 -0.03 -0.40 -0.23 0.00 0.00 178.00 178.27 1io8 n ASP 801 N -2.97 3.05 -4.64 1.44 5.68 -1.26 -1.68 116.55 116.18 1io8 n ASP 801 Ca -0.02 -3.17 -0.48 0.00 -0.50 0.00 0.00 54.79 50.62 1io8 n ASP 801 Cb 0.23 -0.51 -0.04 0.00 -1.14 0.00 0.00 41.12 39.65 1io8 n ASP 801 CO 0.00 0.00 0.00 -1.14 -1.33 0.00 0.00 177.20 174.73 1io8 n ARG 802 N -0.96 1.74 -3.55 0.11 0.63 -0.38 -4.95 116.66 109.31 1io8 n ARG 802 Ca 0.20 0.63 0.00 0.00 -0.92 0.00 0.00 57.85 57.76 1io8 n ARG 802 Cb 0.80 -2.31 -0.04 0.00 0.45 0.00 0.00 32.46 31.37 1io8 n ARG 802 CO 0.00 0.00 0.00 1.21 -2.51 0.00 0.00 177.63 176.33 1io8 s ASN 803 N 0.58 -1.09 1.23 6.15 3.04 -1.26 -4.56 114.94 119.02 1io8 s ASN 803 Ca 0.78 1.37 -0.18 0.00 0.04 0.00 0.00 52.86 54.87 1io8 s ASN 803 Cb -0.77 2.19 0.29 0.00 -1.54 0.00 0.00 41.25 41.43 1io8 s ASN 803 CO 0.44 -0.21 1.04 -2.84 -3.04 0.00 0.00 177.10 172.50 1io8 s PRO 804 N 2.84 -1.40 -0.44 0.43 0.02 -1.26 -5.16 135.00 130.01 1io8 s PRO 804 Ca -0.02 0.23 0.07 0.00 0.02 0.00 0.00 61.00 61.29 1io8 s PRO 804 Cb -0.12 -1.55 0.23 0.00 0.02 0.00 0.00 34.50 33.09 1io8 s PRO 804 CO -0.19 -3.89 0.65 -1.71 -0.33 0.00 0.00 177.00 171.53 1io8 n ASN 805 N -4.94 -1.39 -2.15 2.53 2.85 -1.26 -5.04 115.26 105.86 1io8 n ASN 805 Ca 0.10 -2.90 -0.06 0.00 -0.11 0.00 0.00 54.58 51.61 1io8 n ASN 805 Cb 0.58 0.51 -0.08 0.00 1.24 0.00 0.00 39.78 42.04 1io8 n ASN 805 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1io8 n PRO 806 N 1.82 1.00 -0.96 1.20 -0.04 -1.26 -4.93 135.00 131.83 1io8 n PRO 806 Ca 0.17 -0.46 -0.30 0.00 -0.04 0.00 0.00 63.50 62.88 1io8 n PRO 806 Cb 0.56 -1.69 0.16 0.00 -0.04 0.00 0.00 33.50 32.50 1io8 n PRO 806 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 1io8 s HIS 807 N 1.75 2.01 -0.33 0.54 -3.43 -1.26 -4.96 115.29 109.61 1io8 s HIS 807 Ca 0.31 1.44 0.07 0.00 -0.80 0.00 0.00 55.06 56.07 1io8 s HIS 807 Cb 0.15 -3.18 0.48 0.00 -1.43 0.00 0.00 32.58 28.60 1io8 s HIS 807 CO 0.00 -2.67 1.42 1.28 -2.00 0.00 0.00 174.74 172.78 1io8 n LEU 808 N -4.10 4.60 0.21 5.38 4.77 -1.26 -4.72 117.00 121.87 1io8 n LEU 808 Ca 0.08 -4.14 0.07 0.00 -0.03 0.00 0.00 56.01 51.99 1io8 n LEU 808 Cb 0.54 -0.58 0.44 0.00 -2.33 0.00 0.00 43.42 41.49 1io8 n LEU 808 CO 0.54 1.55 0.76 0.28 -1.33 0.00 0.00 177.39 179.19 1io8 h SER 809 N 1.44 0.00 -0.39 -1.43 0.02 -1.89 -2.13 113.55 109.16 1io8 h SER 809 Ca 0.28 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.23 1io8 h SER 809 Cb 1.46 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.00 1io8 h SER 809 CO 0.59 0.30 0.00 0.49 -1.14 0.00 0.00 176.83 177.07 1io8 n PHE 810 N -3.62 0.51 -1.84 3.45 0.99 -1.26 -4.66 117.46 111.03 1io8 n PHE 810 Ca -0.01 -0.26 0.00 0.00 -0.00 0.00 0.00 57.45 57.18 1io8 n PHE 810 Cb 0.43 -0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.91 1io8 n PHE 810 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1io8 n GLY 811 N 1.49 -1.73 3.63 1.37 0.00 -0.80 -0.50 105.19 108.65 1io8 n GLY 811 Ca 0.19 -1.69 -0.10 0.00 0.00 0.00 0.00 46.02 44.42 1io8 n GLY 811 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1io8 s SER 812 N -4.00 -0.52 0.00 1.61 0.15 -1.26 -4.72 113.70 104.97 1io8 s SER 812 Ca 0.00 0.98 0.00 0.00 0.70 0.00 0.00 55.95 57.63 1io8 s SER 812 Cb 0.00 0.99 0.00 0.00 -1.71 0.00 0.00 66.02 65.30 1io8 s SER 812 CO 0.00 -0.18 0.00 0.61 1.20 0.00 0.00 173.24 174.87 1io8 n GLY 813 N 2.26 -1.07 0.29 9.45 0.00 -1.26 -4.23 105.19 110.63 1io8 n GLY 813 Ca -0.13 -1.96 0.16 0.00 0.00 0.00 0.00 46.02 44.09 1io8 n GLY 813 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 1io8 h ILE 814 N 0.00 0.40 -0.24 -0.61 3.07 -1.92 -1.74 117.51 116.47 1io8 h ILE 814 Ca 0.00 -0.31 0.00 0.00 1.55 0.00 0.00 64.86 66.10 1io8 h ILE 814 Cb 0.00 1.22 0.00 0.00 -0.27 0.00 0.00 36.82 37.77 1io8 h ILE 814 CO 0.00 0.06 0.00 1.41 -1.05 0.00 0.00 178.15 178.57 1io8 n HIS 815 N -3.53 0.30 -1.34 0.16 8.25 -1.26 -4.97 115.22 112.83 1io8 n HIS 815 Ca -0.02 -0.15 -0.52 0.00 -0.26 0.00 0.00 57.72 56.76 1io8 n HIS 815 Cb 0.18 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.21 1io8 n HIS 815 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 1io8 n LEU 816 N 1.10 0.70 -3.23 2.41 0.00 -0.66 -4.48 117.00 112.84 1io8 n LEU 816 Ca 0.18 0.94 -0.46 0.00 0.00 0.00 0.00 56.01 56.67 1io8 n LEU 816 Cb 0.52 -0.71 -0.07 0.00 0.00 0.00 0.00 43.42 43.17 1io8 n LEU 816 CO 0.15 -0.90 0.72 0.00 0.00 0.00 0.00 177.39 177.36 1io8 h LEU 818 N 3.20 0.17 -1.34 0.00 5.85 -1.91 -3.14 115.31 118.14 1io8 h LEU 818 Ca -0.31 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.34 1io8 h LEU 818 Cb 0.95 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.93 1io8 h LEU 818 CO 0.63 0.57 0.00 0.61 -0.34 0.00 0.00 178.44 179.91 1io8 n GLY 819 N -0.24 0.50 0.37 3.75 0.00 -1.26 -4.61 105.19 103.70 1io8 n GLY 819 Ca -0.02 -0.50 0.03 0.00 0.00 0.00 0.00 46.02 45.53 1io8 n GLY 819 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1io8 n ALA 820 N 0.57 0.07 0.25 4.61 0.00 -1.19 -0.11 120.51 124.71 1io8 n ALA 820 Ca 0.17 1.05 0.10 0.00 0.00 0.00 0.00 53.44 54.76 1io8 n ALA 820 Cb 0.41 -0.56 0.66 0.00 0.00 0.00 0.00 19.45 19.95 1io8 n ALA 820 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1io8 h PRO 821 N 0.00 0.00 0.01 0.00 0.11 -1.87 -0.24 132.00 130.01 1io8 h PRO 821 Ca 0.42 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.53 1io8 h PRO 821 Cb 0.67 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.78 1io8 h PRO 821 CO -1.01 0.12 -0.00 1.25 -0.21 0.00 0.00 178.00 178.14 1io8 h LEU 822 N 0.00 -0.01 -0.52 2.35 6.46 -0.84 -2.31 115.31 120.44 1io8 h LEU 822 Ca -0.00 -0.82 0.06 0.00 -0.12 0.00 0.00 57.88 57.00 1io8 h LEU 822 Cb 0.25 0.00 -0.05 0.00 -0.73 0.00 0.00 40.66 40.13 1io8 h LEU 822 CO 0.02 0.85 0.22 0.00 -0.62 0.00 0.00 178.44 178.91 1io8 h ALA 823 N 0.01 0.66 -0.40 1.25 0.00 -1.00 0.23 119.26 120.01 1io8 h ALA 823 Ca -0.00 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1io8 h ALA 823 Cb 0.83 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 1io8 h ALA 823 CO 0.00 -0.15 0.26 0.00 0.00 0.00 0.00 179.25 179.36 1io8 h ARG 824 N 0.43 0.53 -0.09 0.00 3.08 -1.13 0.75 114.38 117.96 1io8 h ARG 824 Ca 0.24 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.25 1io8 h ARG 824 Cb 0.22 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.15 1io8 h ARG 824 CO -0.21 0.37 0.03 1.25 -1.07 0.00 0.00 179.97 180.34 1io8 h LEU 825 N 0.54 0.12 -0.63 3.04 5.85 -0.79 -0.50 115.31 122.94 1io8 h LEU 825 Ca 0.15 -0.16 0.01 0.00 0.84 0.00 0.00 57.88 58.72 1io8 h LEU 825 Cb -0.04 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 40.92 1io8 h LEU 825 CO -0.03 0.25 0.41 -0.33 -0.34 0.00 0.00 178.44 178.40 1io8 h GLU 826 N -0.02 0.80 -0.08 1.25 5.08 -0.35 -0.69 114.58 120.57 1io8 h GLU 826 Ca 0.03 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 1io8 h GLU 826 Cb 0.17 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.23 1io8 h GLU 826 CO -0.00 0.53 -0.04 0.00 -1.00 0.00 0.00 179.01 178.50 1io8 h ALA 827 N 1.24 0.12 -0.88 3.43 0.00 -0.81 -0.98 119.26 121.38 1io8 h ALA 827 Ca 0.24 -0.24 0.04 0.00 0.00 0.00 0.00 54.91 54.95 1io8 h ALA 827 Cb -0.06 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.64 1io8 h ALA 827 CO -0.07 -0.12 0.56 -0.09 0.00 0.00 0.00 179.25 179.54 1io8 h ARG 828 N -0.19 1.04 -0.27 0.00 2.43 -0.92 0.41 114.38 116.87 1io8 h ARG 828 Ca 0.02 -0.06 -0.12 0.00 -0.81 0.00 0.00 59.98 59.00 1io8 h ARG 828 Cb 0.49 -0.23 -0.00 0.00 -0.42 0.00 0.00 29.97 29.81 1io8 h ARG 828 CO 0.01 0.69 -0.31 0.82 -1.51 0.00 0.00 179.97 179.67 1io8 h ILE 829 N 1.07 1.31 -0.62 1.20 2.04 -1.09 -0.38 117.51 121.03 1io8 h ILE 829 Ca 0.36 -1.48 0.04 0.00 1.00 0.00 0.00 64.86 64.78 1io8 h ILE 829 Cb 0.07 1.63 -0.04 0.00 -0.74 0.00 0.00 36.82 37.74 1io8 h ILE 829 CO -0.14 0.47 0.37 0.00 0.00 0.00 0.00 178.15 178.85 1io8 h ALA 830 N 0.69 0.81 -0.23 1.87 0.00 -0.74 -0.49 119.26 121.17 1io8 h ALA 830 Ca 0.04 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 1io8 h ALA 830 Cb 0.88 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1io8 h ALA 830 CO 0.07 0.09 -0.07 0.82 0.00 0.00 0.00 179.25 180.16 1io8 h ILE 831 N 0.71 1.29 -0.28 0.00 1.08 -0.82 -0.34 117.51 119.14 1io8 h ILE 831 Ca 0.26 -1.09 -0.00 0.00 -0.39 0.00 0.00 64.86 63.64 1io8 h ILE 831 Cb 0.07 1.53 -0.01 0.00 -3.07 0.00 0.00 36.82 35.35 1io8 h ILE 831 CO -0.13 0.34 0.16 -0.33 -0.69 0.00 0.00 178.15 177.50 1io8 h GLU 832 N 0.17 0.39 -0.45 2.37 5.08 -0.82 0.25 114.58 121.57 1io8 h GLU 832 Ca 0.06 -0.04 -0.07 0.00 -1.00 0.00 0.00 59.36 58.30 1io8 h GLU 832 Cb 0.54 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 1io8 h GLU 832 CO 0.03 0.33 0.01 0.93 -1.00 0.00 0.00 179.01 179.31 1io8 h GLU 833 N 0.35 0.79 -0.33 2.33 4.39 -1.07 -2.08 114.58 118.95 1io8 h GLU 833 Ca 0.10 -0.25 0.04 0.00 0.34 0.00 0.00 59.36 59.59 1io8 h GLU 833 Cb 0.05 -0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 28.59 1io8 h GLU 833 CO -0.02 0.85 0.11 0.35 -1.16 0.00 0.00 179.01 179.14 1io8 h PHE 834 N 0.64 0.20 -0.01 4.33 -0.00 -0.78 -1.67 116.94 119.65 1io8 h PHE 834 Ca 0.13 0.02 -0.06 0.00 -0.00 0.00 0.00 57.97 58.05 1io8 h PHE 834 Cb 0.49 -0.04 -0.01 0.00 -0.00 0.00 0.00 35.95 36.39 1io8 h PHE 834 CO 0.04 0.08 -0.30 0.66 -0.00 0.00 0.00 178.31 178.79 1io8 h SER 835 N 0.25 0.01 0.98 0.41 4.64 -0.84 -1.56 113.55 117.43 1io8 h SER 835 Ca 0.15 -0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.41 1io8 h SER 835 Cb 0.12 -0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.20 1io8 h SER 835 CO -0.16 0.31 -0.27 0.11 -0.87 0.00 0.00 176.83 175.95 1io8 h LYS 836 N 0.01 0.00 0.03 4.77 1.57 -0.67 -3.27 116.57 119.01 1io8 h LYS 836 Ca -0.00 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.72 1io8 h LYS 836 Cb 0.53 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.84 1io8 h LYS 836 CO 0.04 0.27 -0.24 0.00 -0.57 0.00 0.00 179.45 178.95 1io8 h ARG 837 N 0.00 0.10 -5.72 3.15 2.47 -0.40 -3.46 114.38 110.52 1io8 h ARG 837 Ca -0.00 -0.15 -0.67 0.00 -1.26 0.00 0.00 59.98 57.89 1io8 h ARG 837 Cb 0.83 0.05 -0.09 0.00 -1.65 0.00 0.00 29.97 29.12 1io8 h ARG 837 CO 0.03 1.03 -0.51 -0.59 0.56 0.00 0.00 179.97 180.50 1io8 s PHE 838 N -2.47 3.50 -0.20 3.04 -0.12 -1.00 -4.97 117.98 115.77 1io8 s PHE 838 Ca -0.17 0.45 0.22 0.00 -0.05 0.00 0.00 56.93 57.38 1io8 s PHE 838 Cb -0.01 -1.90 -0.08 0.00 -0.63 0.00 0.00 43.02 40.39 1io8 s PHE 838 CO 0.73 0.68 0.90 -2.13 -0.05 0.00 0.00 175.22 175.35 1io8 n ARG 839 N 1.94 0.61 -3.73 1.99 0.63 -0.78 -4.81 116.66 112.52 1io8 n ARG 839 Ca -0.19 0.03 -0.12 0.00 -0.92 0.00 0.00 57.85 56.65 1io8 n ARG 839 Cb 0.55 -1.74 -0.10 0.00 0.45 0.00 0.00 32.46 31.61 1io8 n ARG 839 CO 0.00 0.00 0.00 -1.58 -2.51 0.00 0.00 177.63 173.54 1io8 s HIS 840 N -3.40 -0.47 0.09 -0.14 2.46 -0.45 -4.93 115.29 108.44 1io8 s HIS 840 Ca -0.02 1.11 0.07 0.00 0.47 0.00 0.00 55.06 56.68 1io8 s HIS 840 Cb 0.11 0.18 -0.03 0.00 -0.13 0.00 0.00 32.58 32.70 1io8 s HIS 840 CO 0.82 -0.25 -0.18 -1.50 -2.47 0.00 0.00 174.74 171.16 1io8 s ILE 841 N 0.57 1.47 -0.10 0.89 2.07 -1.26 -1.64 121.20 123.20 1io8 s ILE 841 Ca -0.03 -1.42 -0.04 0.00 -1.41 0.00 0.00 60.65 57.75 1io8 s ILE 841 Cb -0.05 -1.36 0.05 0.00 0.13 0.00 0.00 42.46 41.24 1io8 s ILE 841 CO -0.03 -0.10 0.22 -0.70 -1.91 0.00 0.00 174.94 172.42 1io8 s GLU 842 N -1.78 0.15 -0.21 3.50 2.12 0.03 -4.97 118.70 117.56 1io8 s GLU 842 Ca 0.03 0.55 -0.29 0.00 0.36 0.00 0.00 54.97 55.62 1io8 s GLU 842 Cb -0.10 -0.13 0.00 0.00 0.26 0.00 0.00 34.13 34.16 1io8 s GLU 842 CO 0.03 -0.20 1.12 0.42 -0.54 0.00 0.00 175.26 176.09 1io8 s ILE 843 N 1.59 4.53 -0.15 -3.70 -1.09 -1.26 -0.18 121.20 120.93 1io8 s ILE 843 Ca -0.06 1.85 -0.10 0.00 -2.23 0.00 0.00 60.65 60.12 1io8 s ILE 843 Cb -0.11 -4.19 -0.24 0.00 -1.58 0.00 0.00 42.46 36.34 1io8 s ILE 843 CO -0.08 -0.16 0.28 0.18 -1.23 0.00 0.00 174.94 173.93 1io8 n LEU 844 N 6.42 2.48 -3.92 2.97 4.77 0.28 -4.95 117.00 125.04 1io8 n LEU 844 Ca 0.13 0.24 -0.09 0.00 -0.03 0.00 0.00 56.01 56.25 1io8 n LEU 844 Cb 0.46 -1.07 -0.05 0.00 -2.33 0.00 0.00 43.42 40.43 1io8 n LEU 844 CO 0.53 0.73 0.21 -0.62 -1.33 0.00 0.00 177.39 176.92 1io8 s ASP 845 N -6.99 -0.13 0.14 -1.43 3.68 -0.92 -5.01 116.67 106.01 1io8 s ASP 845 Ca -0.25 -0.79 -0.08 0.00 2.13 0.00 0.00 52.55 53.56 1io8 s ASP 845 Cb 0.07 0.59 -0.01 0.00 -1.45 0.00 0.00 42.92 42.11 1io8 s ASP 845 CO 0.72 -1.12 0.22 -0.89 0.13 0.00 0.00 175.17 174.23 1io8 s THR 846 N -3.97 0.09 -0.26 1.71 2.01 -1.26 -1.74 115.64 112.22 1io8 s THR 846 Ca 0.18 -1.41 -0.15 0.00 0.31 0.00 0.00 61.69 60.61 1io8 s THR 846 Cb -0.01 -1.73 0.08 0.00 0.01 0.00 0.00 72.50 70.84 1io8 s THR 846 CO 0.05 -0.43 0.64 -0.70 -0.69 0.00 0.00 174.62 173.50 1io8 s GLU 847 N -3.95 0.66 -0.03 4.92 2.12 -1.03 -4.93 118.70 116.46 1io8 s GLU 847 Ca 0.15 1.14 0.00 0.00 0.36 0.00 0.00 54.97 56.62 1io8 s GLU 847 Cb 0.04 0.13 -0.03 0.00 0.26 0.00 0.00 34.13 34.52 1io8 s GLU 847 CO -0.03 -0.15 0.01 0.15 -0.54 0.00 0.00 175.26 174.70 1io8 s LYS 848 N 1.53 2.88 -0.45 4.30 1.02 -1.26 -1.31 119.74 126.44 1io8 s LYS 848 Ca -0.09 -0.53 -0.27 0.00 0.02 0.00 0.00 55.97 55.10 1io8 s LYS 848 Cb -0.06 -2.73 -0.04 0.00 -0.52 0.00 0.00 37.83 34.49 1io8 s LYS 848 CO -0.18 0.65 2.10 0.54 -0.92 0.00 0.00 175.35 177.54 1io8 s VAL 849 N -1.02 3.20 -0.72 3.17 0.11 -1.08 -4.73 120.40 119.34 1io8 s VAL 849 Ca 0.18 0.16 -0.26 0.00 -2.93 0.00 0.00 61.98 59.13 1io8 s VAL 849 Cb -0.11 -3.41 -0.02 0.00 -1.53 0.00 0.00 36.38 31.31 1io8 s VAL 849 CO 0.08 -0.35 1.77 -2.84 -3.33 0.00 0.00 175.10 170.43 1io8 s PRO 850 N 7.07 2.75 0.17 1.54 0.02 -1.26 -4.78 135.00 140.50 1io8 s PRO 850 Ca 0.86 0.19 -0.07 0.00 0.02 0.00 0.00 61.00 61.99 1io8 s PRO 850 Cb -0.19 -4.56 -0.01 0.00 0.02 0.00 0.00 34.50 29.75 1io8 s PRO 850 CO 0.28 -2.76 0.25 1.21 -0.33 0.00 0.00 177.00 175.65 1io8 s ASN 851 N 7.26 0.08 -0.01 2.53 2.47 -1.26 -5.07 114.94 120.94 1io8 s ASN 851 Ca 0.62 -0.96 0.11 0.00 0.42 0.00 0.00 52.86 53.04 1io8 s ASN 851 Cb -0.10 0.42 -0.14 0.00 -1.45 0.00 0.00 41.25 39.99 1io8 s ASN 851 CO 0.13 -0.88 0.35 -0.62 -3.72 0.00 0.00 177.10 172.36 1io8 n GLU 852 N -0.21 2.08 -0.05 0.43 1.02 -1.26 -4.75 120.64 117.90 1io8 n GLU 852 Ca -0.06 -0.05 -0.10 0.00 -0.02 0.00 0.00 57.16 56.93 1io8 n GLU 852 Cb 0.63 -1.11 -0.04 0.00 -0.02 0.00 0.00 31.44 30.90 1io8 n GLU 852 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1io8 n VAL 853 N -1.53 0.56 -3.23 2.62 0.31 -1.26 -4.77 118.33 111.03 1io8 n VAL 853 Ca 0.00 -0.16 -0.39 0.00 -0.01 0.00 0.00 64.34 63.79 1io8 n VAL 853 Cb 0.22 -1.49 -0.06 0.00 -0.91 0.00 0.00 33.84 31.60 1io8 n VAL 853 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1io8 s LEU 854 N -6.37 4.27 -0.36 7.52 2.01 -1.26 0.13 118.68 124.63 1io8 s LEU 854 Ca -0.14 0.90 0.02 0.00 0.01 0.00 0.00 54.13 54.92 1io8 s LEU 854 Cb 0.05 -2.81 0.10 0.00 0.01 0.00 0.00 46.19 43.54 1io8 s LEU 854 CO 0.19 -0.06 0.09 0.21 1.01 0.00 0.00 176.35 177.79 1io8 s ASN 855 N 0.75 4.91 0.00 2.29 3.04 0.13 -4.48 114.94 121.58 1io8 s ASN 855 Ca 0.29 -2.06 0.00 0.00 0.04 0.00 0.00 52.86 51.13 1io8 s ASN 855 Cb -0.16 -1.69 0.00 0.00 -1.54 0.00 0.00 41.25 37.86 1io8 s ASN 855 CO 0.12 -0.42 0.00 0.61 -3.04 0.00 0.00 177.10 174.37 1io8 n GLY 856 N 4.37 2.38 3.37 1.21 0.00 -1.26 -4.27 105.19 110.99 1io8 n GLY 856 Ca 0.01 -0.80 -0.31 0.00 0.00 0.00 0.00 46.02 44.92 1io8 n GLY 856 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1io8 s TYR 857 N -4.19 2.44 0.03 1.61 1.51 -1.26 -2.62 117.35 114.86 1io8 s TYR 857 Ca 0.00 -0.35 -0.17 0.00 -1.01 0.00 0.00 57.07 55.54 1io8 s TYR 857 Cb 0.00 -1.50 -0.30 0.00 -0.11 0.00 0.00 41.96 40.06 1io8 s TYR 857 CO 0.00 0.08 1.05 -0.22 -1.11 0.00 0.00 175.55 175.36 1io8 h LYS 858 N 5.18 0.54 -3.98 -0.62 3.11 -1.49 -3.45 116.57 115.86 1io8 h LYS 858 Ca -0.45 -0.75 -0.19 0.00 -2.81 0.00 0.00 60.65 56.46 1io8 h LYS 858 Cb 1.14 0.25 -0.22 0.00 -1.00 0.00 0.00 32.23 32.40 1io8 h LYS 858 CO 0.47 1.33 -0.71 1.03 -2.81 0.00 0.00 179.45 178.77 1io8 s ARG 859 N -2.87 0.27 -0.40 1.90 0.52 -1.19 -4.73 118.95 112.44 1io8 s ARG 859 Ca -0.11 -0.51 0.04 0.00 -0.52 0.00 0.00 55.73 54.63 1io8 s ARG 859 Cb 0.04 0.06 0.16 0.00 0.52 0.00 0.00 34.95 35.74 1io8 s ARG 859 CO 0.90 -0.03 0.42 -1.17 0.02 0.00 0.00 175.30 175.44 1io8 s LEU 860 N -1.21 0.08 -0.23 2.53 0.20 -1.26 -2.45 118.68 116.34 1io8 s LEU 860 Ca -0.13 -1.98 -0.26 0.00 0.69 0.00 0.00 54.13 52.46 1io8 s LEU 860 Cb -0.08 0.53 -0.00 0.00 -0.43 0.00 0.00 46.19 46.20 1io8 s LEU 860 CO -0.01 -0.20 0.88 -0.69 -0.29 0.00 0.00 176.35 176.04 1io8 s VAL 861 N 1.00 4.81 0.37 1.68 1.01 -0.71 -2.43 120.40 126.13 1io8 s VAL 861 Ca 0.23 1.69 0.05 0.00 0.00 0.00 0.00 61.98 63.94 1io8 s VAL 861 Cb -0.09 -4.16 -0.06 0.00 0.00 0.00 0.00 36.38 32.07 1io8 s VAL 861 CO -0.07 -0.08 0.04 0.68 0.00 0.00 0.00 175.10 175.68 1io8 s VAL 862 N 2.79 1.45 -0.04 2.92 -7.23 -0.65 0.99 120.40 120.63 1io8 s VAL 862 Ca 0.38 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.56 1io8 s VAL 862 Cb -0.15 -2.81 0.02 0.00 0.56 0.00 0.00 36.38 34.00 1io8 s VAL 862 CO 0.08 0.00 -0.06 -0.60 -0.31 0.00 0.00 175.10 174.21 1io8 s ARG 863 N -3.81 0.93 -0.05 4.82 3.52 0.74 -2.46 118.95 122.64 1io8 s ARG 863 Ca 0.33 -0.17 0.06 0.00 -0.13 0.00 0.00 55.73 55.82 1io8 s ARG 863 Cb 0.08 -0.88 -0.01 0.00 -1.56 0.00 0.00 34.95 32.57 1io8 s ARG 863 CO 0.16 -0.03 -0.23 -0.51 -0.81 0.00 0.00 175.30 173.87 1io8 s LEU 864 N 0.73 2.17 0.22 -0.88 1.43 0.83 -0.79 118.68 122.41 1io8 s LEU 864 Ca -0.11 -0.46 0.02 0.00 -1.03 0.00 0.00 54.13 52.56 1io8 s LEU 864 Cb -0.13 -1.40 -0.05 0.00 0.03 0.00 0.00 46.19 44.64 1io8 s LEU 864 CO 0.01 0.27 0.04 -0.75 0.23 0.00 0.00 176.35 176.15 1io8 s LYS 865 N -0.31 1.30 0.00 1.70 2.20 -0.65 -4.49 119.74 119.48 1io8 s LYS 865 Ca 0.01 -1.67 0.00 0.00 -0.36 0.00 0.00 55.97 53.95 1io8 s LYS 865 Cb -0.13 -0.34 0.00 0.00 -1.51 0.00 0.00 37.83 35.85 1io8 s LYS 865 CO 0.02 -0.20 0.00 0.43 -0.36 0.00 0.00 175.35 175.24