#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a8p s VAL 505 N 0.00 5.10 0.02 1.55 1.01 -1.26 -4.24 120.40 122.58 3a8p s VAL 505 Ca 0.00 1.01 -0.04 0.00 0.00 0.00 0.00 61.98 62.95 3a8p s VAL 505 Cb 0.00 -3.86 -0.28 0.00 0.00 0.00 0.00 36.38 32.23 3a8p s VAL 505 CO 0.00 0.19 0.94 -0.09 0.00 0.00 0.00 175.10 176.14 3a8p h ARG 506 N 7.34 0.27 -1.91 2.72 2.43 -0.93 -3.48 114.38 120.83 3a8p h ARG 506 Ca -0.34 -0.47 -0.03 0.00 -0.81 0.00 0.00 59.98 58.33 3a8p h ARG 506 Cb 1.16 0.17 -0.21 0.00 -0.42 0.00 0.00 29.97 30.67 3a8p h ARG 506 CO 0.75 1.16 0.25 0.21 -1.51 0.00 0.00 179.97 180.83 3a8p s LYS 507 N -2.63 0.90 0.02 0.20 2.47 -1.22 -5.01 119.74 114.48 3a8p s LYS 507 Ca -0.08 0.44 -0.16 0.00 -1.56 0.00 0.00 55.97 54.62 3a8p s LYS 507 Cb 0.07 0.43 0.03 0.00 -1.46 0.00 0.00 37.83 36.89 3a8p s LYS 507 CO 0.87 -0.23 0.34 0.00 0.16 0.00 0.00 175.35 176.48 3a8p s ALA 508 N -0.70 -0.82 0.00 3.13 0.00 -1.26 0.00 121.76 122.12 3a8p s ALA 508 Ca -0.06 0.22 0.00 0.00 0.00 0.00 0.00 51.96 52.12 3a8p s ALA 508 Cb -0.02 0.23 0.00 0.00 0.00 0.00 0.00 23.12 23.34 3a8p s ALA 508 CO 0.05 -0.37 0.00 0.41 0.00 0.00 0.00 175.76 175.85 3a8p n GLY 509 N 0.80 0.68 3.74 0.00 0.00 -0.32 -4.99 105.19 105.11 3a8p n GLY 509 Ca -0.20 -1.07 -0.40 0.00 0.00 0.00 0.00 46.02 44.36 3a8p n GLY 509 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3a8p s TRP 510 N -2.00 3.83 -0.03 1.61 0.52 -1.26 -0.83 118.94 120.77 3a8p s TRP 510 Ca 0.00 1.69 -0.11 0.00 0.02 0.00 0.00 56.10 57.70 3a8p s TRP 510 Cb 0.00 -2.93 0.02 0.00 -1.15 0.00 0.00 33.47 29.41 3a8p s TRP 510 CO 0.00 0.31 0.25 -0.51 0.02 0.00 0.00 176.95 177.01 3a8p s LEU 511 N -0.34 1.09 0.03 2.99 1.43 -0.65 -4.66 118.68 118.57 3a8p s LEU 511 Ca 0.42 0.13 -0.17 0.00 -1.03 0.00 0.00 54.13 53.48 3a8p s LEU 511 Cb -0.23 0.99 -0.06 0.00 0.03 0.00 0.00 46.19 46.93 3a8p s LEU 511 CO 0.28 -0.32 0.48 -0.36 0.23 0.00 0.00 176.35 176.66 3a8p s PHE 512 N -0.92 3.76 -0.01 0.29 0.08 -1.09 -1.36 117.98 118.74 3a8p s PHE 512 Ca -0.10 1.12 0.05 0.00 0.12 0.00 0.00 56.93 58.12 3a8p s PHE 512 Cb -0.05 -2.39 -0.01 0.00 -0.57 0.00 0.00 43.02 39.99 3a8p s PHE 512 CO 0.02 0.60 -0.16 0.12 -0.10 0.00 0.00 175.22 175.71 3a8p s PHE 513 N -1.03 1.41 -0.28 0.36 5.36 -0.14 -1.59 117.98 122.07 3a8p s PHE 513 Ca 0.26 -0.28 0.02 0.00 -0.96 0.00 0.00 56.93 55.98 3a8p s PHE 513 Cb -0.18 -0.90 0.18 0.00 -0.34 0.00 0.00 43.02 41.78 3a8p s PHE 513 CO 0.16 -0.01 0.50 0.21 -1.46 0.00 0.00 175.22 174.61 3a8p s LYS 514 N -0.47 0.48 0.58 10.12 2.20 -0.57 -2.10 119.74 129.98 3a8p s LYS 514 Ca 0.06 0.48 -0.21 0.00 -0.36 0.00 0.00 55.97 55.94 3a8p s LYS 514 Cb -0.06 0.01 -0.04 0.00 -1.51 0.00 0.00 37.83 36.23 3a8p s LYS 514 CO -0.00 -0.91 1.33 -0.35 -0.36 0.00 0.00 175.35 175.06 3a8p n PRO 515 N 5.39 1.51 0.00 4.03 -0.04 -1.26 -1.05 135.00 143.58 3a8p n PRO 515 Ca 0.01 0.56 0.00 0.00 -0.04 0.00 0.00 63.50 64.04 3a8p n PRO 515 Cb 0.51 -2.56 0.00 0.00 -0.04 0.00 0.00 33.50 31.41 3a8p n PRO 515 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 3a8p n LEU 516 N -1.27 0.11 -4.04 1.53 7.94 0.14 -4.79 117.00 116.62 3a8p n LEU 516 Ca 0.12 0.00 -0.18 0.00 -1.11 0.00 0.00 56.01 54.84 3a8p n LEU 516 Cb 0.46 0.00 -0.14 0.00 0.53 0.00 0.00 43.42 44.27 3a8p n LEU 516 CO 0.51 0.02 -0.43 -0.69 -1.11 0.00 0.00 177.39 175.69 3a8p s VAL 517 N -2.00 0.72 0.08 1.96 1.01 -0.22 -0.72 120.40 121.23 3a8p s VAL 517 Ca 0.00 -0.58 0.04 0.00 0.00 0.00 0.00 61.98 61.44 3a8p s VAL 517 Cb 0.00 -0.64 -0.03 0.00 0.00 0.00 0.00 36.38 35.71 3a8p s VAL 517 CO 0.00 0.07 -0.11 0.28 0.00 0.00 0.00 175.10 175.34 3a8p s THR 518 N -0.49 0.94 -0.42 3.92 -1.32 -0.28 0.14 115.64 118.14 3a8p s THR 518 Ca 0.01 -1.45 -0.17 0.00 -1.21 0.00 0.00 61.69 58.87 3a8p s THR 518 Cb -0.05 -1.16 0.02 0.00 -1.51 0.00 0.00 72.50 69.80 3a8p s THR 518 CO 0.00 -0.42 0.41 -0.22 -2.21 0.00 0.00 174.62 172.18 3a8p s LEU 519 N -2.09 4.89 0.00 9.08 2.96 -1.25 0.24 118.68 132.51 3a8p s LEU 519 Ca 0.01 -0.70 0.00 0.00 -0.22 0.00 0.00 54.13 53.22 3a8p s LEU 519 Cb -0.06 -2.35 0.00 0.00 0.50 0.00 0.00 46.19 44.28 3a8p s LEU 519 CO 0.01 -0.55 0.00 0.00 -1.32 0.00 0.00 176.35 174.49 3a8p n GLN 520 N 5.52 0.66 -1.53 1.98 1.13 0.04 -4.83 117.38 120.35 3a8p n GLN 520 Ca -0.08 0.00 -0.55 0.00 -1.94 0.00 0.00 57.00 54.43 3a8p n GLN 520 Cb 0.47 0.00 -0.07 0.00 0.11 0.00 0.00 30.24 30.76 3a8p n GLN 520 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 3a8p n LYS 521 N -0.99 0.49 -3.01 -1.09 4.76 -1.26 -2.04 118.16 115.02 3a8p n LYS 521 Ca 0.00 0.18 -0.18 0.00 -2.87 0.00 0.00 58.31 55.44 3a8p n LYS 521 Cb 0.00 -1.70 0.04 0.00 -1.84 0.00 0.00 35.03 31.53 3a8p n LYS 521 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 3a8p n GLU 522 N 1.85 -4.56 -3.53 1.97 4.07 -1.26 -3.72 120.64 115.45 3a8p n GLU 522 Ca 0.19 0.68 -0.25 0.00 -0.06 0.00 0.00 57.16 57.72 3a8p n GLU 522 Cb 0.14 -5.11 0.05 0.00 -0.06 0.00 0.00 31.44 26.46 3a8p n GLU 522 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 3a8p n ARG 523 N -3.50 -1.87 -3.98 5.31 1.74 -0.87 -5.00 116.66 108.50 3a8p n ARG 523 Ca -0.06 0.61 -0.30 0.00 -0.77 0.00 0.00 57.85 57.33 3a8p n ARG 523 Cb 0.58 -4.80 -0.16 0.00 -1.02 0.00 0.00 32.46 27.06 3a8p n ARG 523 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 3a8p s LYS 524 N -5.43 1.90 0.32 5.56 1.02 -1.07 -4.94 119.74 117.10 3a8p s LYS 524 Ca 0.43 -0.89 -0.29 0.00 0.02 0.00 0.00 55.97 55.24 3a8p s LYS 524 Cb -0.12 -2.46 -0.10 0.00 -0.52 0.00 0.00 37.83 34.62 3a8p s LYS 524 CO 0.82 -0.48 1.40 -0.51 -0.92 0.00 0.00 175.35 175.65 3a8p s LEU 525 N 1.39 4.39 0.00 3.17 1.43 -1.26 -0.78 118.68 127.02 3a8p s LEU 525 Ca -0.03 2.78 0.00 0.00 -1.03 0.00 0.00 54.13 55.85 3a8p s LEU 525 Cb -0.17 -3.65 -0.00 0.00 0.03 0.00 0.00 46.19 42.40 3a8p s LEU 525 CO -0.07 -0.68 -0.00 -1.61 0.23 0.00 0.00 176.35 174.21 3a8p s GLU 526 N -1.41 0.05 0.02 1.70 0.41 0.14 -4.89 118.70 114.71 3a8p s GLU 526 Ca 0.53 -0.08 -0.30 0.00 -0.41 0.00 0.00 54.97 54.71 3a8p s GLU 526 Cb -0.42 0.01 -0.05 0.00 -1.78 0.00 0.00 34.13 31.88 3a8p s GLU 526 CO 0.52 -0.00 1.27 -1.17 -0.49 0.00 0.00 175.26 175.39 3a8p s LEU 527 N -0.19 4.33 0.35 1.80 2.96 -1.26 -1.12 118.68 125.55 3a8p s LEU 527 Ca -0.02 2.01 -0.28 0.00 -0.22 0.00 0.00 54.13 55.62 3a8p s LEU 527 Cb -0.01 -3.57 -0.10 0.00 0.50 0.00 0.00 46.19 43.01 3a8p s LEU 527 CO -0.00 -0.59 1.27 -0.69 -1.32 0.00 0.00 176.35 175.03 3a8p s VAL 528 N 1.76 2.80 -0.88 1.68 1.01 0.10 -4.84 120.40 122.04 3a8p s VAL 528 Ca 0.60 0.77 -0.32 0.00 0.00 0.00 0.00 61.98 63.03 3a8p s VAL 528 Cb -0.29 -3.48 -0.20 0.00 0.00 0.00 0.00 36.38 32.41 3a8p s VAL 528 CO 0.26 0.16 2.60 0.00 0.00 0.00 0.00 175.10 178.12 3a8p n ALA 529 N 0.58 0.36 -0.27 5.51 0.00 -1.26 -4.46 120.51 120.98 3a8p n ALA 529 Ca 0.01 -0.31 -0.02 0.00 0.00 0.00 0.00 53.44 53.13 3a8p n ALA 529 Cb 0.43 -2.37 -0.02 0.00 0.00 0.00 0.00 19.45 17.49 3a8p n ALA 529 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3a8p n ARG 530 N 8.46 0.00 -1.63 0.00 1.74 -1.26 -4.82 116.66 119.14 3a8p n ARG 530 Ca 0.61 0.00 -0.08 0.00 -0.77 0.00 0.00 57.85 57.61 3a8p n ARG 530 Cb 0.09 -0.23 0.03 0.00 -1.02 0.00 0.00 32.46 31.33 3a8p n ARG 530 CO 0.00 0.00 0.00 2.89 -1.52 0.00 0.00 177.63 179.00 3a8p n ARG 531 N 1.11 0.67 -4.25 5.56 0.00 -1.26 -5.14 116.66 113.35 3a8p n ARG 531 Ca 0.06 -1.16 -0.27 0.00 -0.00 0.00 0.00 57.85 56.48 3a8p n ARG 531 Cb 0.08 -0.15 -0.06 0.00 -0.00 0.00 0.00 32.46 32.33 3a8p n ARG 531 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.63 176.04 3a8p s LYS 532 N -3.17 2.20 0.11 2.89 0.00 -1.26 -5.11 119.74 115.40 3a8p s LYS 532 Ca 0.24 -2.01 -0.26 0.00 0.00 0.00 0.00 55.97 53.95 3a8p s LYS 532 Cb -0.02 -1.89 -0.07 0.00 0.00 0.00 0.00 37.83 35.86 3a8p s LYS 532 CO 0.16 -0.25 0.80 -1.58 0.00 0.00 0.00 175.35 174.48 3a8p s TRP 533 N -2.69 3.82 -0.01 1.78 0.52 -1.26 -4.74 118.94 116.36 3a8p s TRP 533 Ca 0.33 1.59 0.02 0.00 0.02 0.00 0.00 56.10 58.06 3a8p s TRP 533 Cb 0.03 -2.83 0.00 0.00 -1.15 0.00 0.00 33.47 29.52 3a8p s TRP 533 CO 0.18 0.37 -0.06 -1.59 0.02 0.00 0.00 176.95 175.87 3a8p s LYS 534 N -0.52 0.63 0.18 4.98 -2.85 -0.89 -4.92 119.74 116.34 3a8p s LYS 534 Ca 0.38 -0.22 -0.26 0.00 -1.00 0.00 0.00 55.97 54.88 3a8p s LYS 534 Cb -0.22 -0.61 -0.08 0.00 -2.06 0.00 0.00 37.83 34.85 3a8p s LYS 534 CO 0.25 0.10 0.81 -1.14 0.10 0.00 0.00 175.35 175.47 3a8p s GLN 535 N 0.08 4.62 0.07 1.78 0.74 -1.26 -0.97 119.66 124.73 3a8p s GLN 535 Ca -0.01 1.22 -0.04 0.00 0.05 0.00 0.00 55.36 56.58 3a8p s GLN 535 Cb -0.05 -3.27 -0.03 0.00 1.10 0.00 0.00 33.01 30.76 3a8p s GLN 535 CO -0.00 0.56 0.06 0.71 -0.55 0.00 0.00 175.29 176.07 3a8p s TYR 536 N -1.15 0.42 -0.31 1.67 2.02 -0.46 -4.88 117.35 114.66 3a8p s TYR 536 Ca 0.37 -0.91 -0.14 0.00 -0.37 0.00 0.00 57.07 56.01 3a8p s TYR 536 Cb -0.24 -0.28 -0.03 0.00 -0.40 0.00 0.00 41.96 41.02 3a8p s TYR 536 CO 0.27 -0.46 0.31 -0.46 -1.57 0.00 0.00 175.55 173.65 3a8p s TRP 537 N -3.91 3.22 -0.06 2.71 -0.11 -0.27 -1.63 118.94 118.89 3a8p s TRP 537 Ca 0.08 0.09 0.02 0.00 1.22 0.00 0.00 56.10 57.50 3a8p s TRP 537 Cb 0.07 -2.56 -0.03 0.00 -1.50 0.00 0.00 33.47 29.45 3a8p s TRP 537 CO -0.09 -0.32 -0.08 0.08 -4.62 0.00 0.00 176.95 171.92 3a8p s VAL 538 N 1.94 3.57 0.04 5.86 1.01 -0.01 -0.86 120.40 131.96 3a8p s VAL 538 Ca 0.11 -0.56 0.06 0.00 0.00 0.00 0.00 61.98 61.60 3a8p s VAL 538 Cb -0.16 -2.46 -0.02 0.00 0.00 0.00 0.00 36.38 33.73 3a8p s VAL 538 CO 0.11 0.58 -0.18 0.42 0.00 0.00 0.00 175.10 176.02 3a8p s THR 539 N -0.81 1.46 -0.26 3.92 -4.23 -0.62 -1.17 115.64 113.93 3a8p s THR 539 Ca 0.13 -1.12 -0.01 0.00 -1.18 0.00 0.00 61.69 59.50 3a8p s THR 539 Cb -0.11 -1.29 0.04 0.00 1.34 0.00 0.00 72.50 72.48 3a8p s THR 539 CO 0.02 0.13 -0.06 -0.22 -0.54 0.00 0.00 174.62 173.95 3a8p s LEU 540 N -1.16 3.32 -0.08 4.79 2.96 0.10 -0.88 118.68 127.72 3a8p s LEU 540 Ca 0.05 -1.02 0.00 0.00 -0.22 0.00 0.00 54.13 52.94 3a8p s LEU 540 Cb -0.08 -1.65 0.02 0.00 0.50 0.00 0.00 46.19 44.98 3a8p s LEU 540 CO 0.02 -0.16 -0.06 -0.75 -1.32 0.00 0.00 176.35 174.07 3a8p s LYS 541 N 1.27 1.27 6.93 1.98 2.20 -0.90 -0.14 119.74 132.35 3a8p s LYS 541 Ca -0.02 -0.19 0.00 0.00 -0.36 0.00 0.00 55.97 55.40 3a8p s LYS 541 Cb -0.18 -1.31 0.00 0.00 -1.51 0.00 0.00 37.83 34.83 3a8p s LYS 541 CO -0.04 -0.19 0.00 0.41 -0.36 0.00 0.00 175.35 175.17 3a8p n GLY 542 N 4.62 2.74 1.11 5.54 0.00 -1.26 -1.54 105.19 116.41 3a8p n GLY 542 Ca -0.15 -0.31 0.01 0.00 0.00 0.00 0.00 46.02 45.56 3a8p n GLY 542 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a8p s THR 544 N -3.04 3.23 -0.18 0.00 2.01 -0.59 -0.25 115.64 116.83 3a8p s THR 544 Ca 0.44 -0.60 -0.13 0.00 0.31 0.00 0.00 61.69 61.71 3a8p s THR 544 Cb 0.38 -2.37 -0.05 0.00 0.01 0.00 0.00 72.50 70.47 3a8p s THR 544 CO 0.05 0.52 0.28 -0.76 -0.69 0.00 0.00 174.62 174.02 3a8p s LEU 545 N 0.34 4.21 -0.17 4.42 1.43 0.28 -2.11 118.68 127.08 3a8p s LEU 545 Ca -0.09 0.44 -0.02 0.00 -1.03 0.00 0.00 54.13 53.42 3a8p s LEU 545 Cb -0.16 -2.34 -0.01 0.00 0.03 0.00 0.00 46.19 43.71 3a8p s LEU 545 CO 0.05 0.07 -0.08 -0.76 0.23 0.00 0.00 176.35 175.86 3a8p s LEU 546 N 0.70 2.89 -0.23 1.79 1.43 -0.06 -0.65 118.68 124.55 3a8p s LEU 546 Ca 0.15 -0.31 -0.08 0.00 -1.03 0.00 0.00 54.13 52.86 3a8p s LEU 546 Cb -0.13 -1.69 -0.04 0.00 0.03 0.00 0.00 46.19 44.36 3a8p s LEU 546 CO 0.04 0.10 0.10 -0.36 0.23 0.00 0.00 176.35 176.46 3a8p s PHE 547 N 0.78 3.18 -0.10 0.29 0.08 -0.20 -1.59 117.98 120.42 3a8p s PHE 547 Ca -0.03 -0.09 0.02 0.00 0.12 0.00 0.00 56.93 56.94 3a8p s PHE 547 Cb -0.15 -2.22 -0.01 0.00 -0.57 0.00 0.00 43.02 40.07 3a8p s PHE 547 CO 0.01 -0.11 -0.16 0.71 -0.10 0.00 0.00 175.22 175.57 3a8p s TYR 548 N 1.18 2.72 0.59 0.36 1.51 -0.04 0.52 117.35 124.19 3a8p s TYR 548 Ca 0.05 -0.63 0.29 0.00 -1.01 0.00 0.00 57.07 55.77 3a8p s TYR 548 Cb -0.14 -1.76 1.50 0.00 -0.11 0.00 0.00 41.96 41.45 3a8p s TYR 548 CO 0.04 -0.18 1.92 1.49 -1.11 0.00 0.00 175.55 177.72 3a8p h GLU 549 N 6.41 0.00 -3.05 -0.62 4.57 -1.87 -0.69 114.58 119.33 3a8p h GLU 549 Ca -0.29 0.00 0.04 0.00 -1.18 0.00 0.00 59.36 57.93 3a8p h GLU 549 Cb 1.20 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.75 3a8p h GLU 549 CO 0.52 0.00 0.21 -0.08 -1.18 0.00 0.00 179.01 178.49 3a8p s THR 550 N -4.61 0.00 -0.61 0.32 -1.32 -1.26 -4.76 115.64 103.40 3a8p s THR 550 Ca -0.04 -1.03 0.00 0.00 -1.21 0.00 0.00 61.69 59.41 3a8p s THR 550 Cb 0.15 -2.21 0.00 0.00 -1.51 0.00 0.00 72.50 68.93 3a8p s THR 550 CO 0.54 0.00 0.00 0.00 -2.21 0.00 0.00 174.62 172.95 3a8p n TYR 551 N -0.47 0.00 0.11 9.09 9.36 -1.26 -4.72 117.16 129.27 3a8p n TYR 551 Ca -0.05 0.00 0.01 0.00 3.32 0.00 0.00 57.90 61.18 3a8p n TYR 551 Cb 0.59 0.00 -0.01 0.00 -0.63 0.00 0.00 39.34 39.30 3a8p n TYR 551 CO 0.00 0.00 0.00 0.43 0.22 0.00 0.00 176.86 177.51 3a8p n SER 560 N 0.01 0.31 -4.91 2.98 7.64 -1.26 -5.16 113.62 113.23 3a8p n SER 560 Ca 0.00 -0.65 -0.31 0.00 1.01 0.00 0.00 58.87 58.92 3a8p n SER 560 Cb 0.00 0.82 -0.04 0.00 -1.01 0.00 0.00 64.21 63.97 3a8p n SER 560 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3a8p s ALA 561 N -1.03 3.86 0.15 -0.43 0.00 -1.26 -5.05 121.76 117.99 3a8p s ALA 561 Ca 0.01 -0.67 -0.31 0.00 0.00 0.00 0.00 51.96 50.98 3a8p s ALA 561 Cb 0.02 -2.02 -0.10 0.00 0.00 0.00 0.00 23.12 21.02 3a8p s ALA 561 CO 0.08 0.70 1.59 -2.14 0.00 0.00 0.00 175.76 175.99 3a8p s PRO 562 N -2.68 4.21 0.46 0.00 0.02 -1.26 -4.70 135.00 131.05 3a8p s PRO 562 Ca 0.39 2.37 0.23 0.00 0.02 0.00 0.00 61.00 64.01 3a8p s PRO 562 Cb -0.12 -3.25 1.10 0.00 0.02 0.00 0.00 34.50 32.25 3a8p s PRO 562 CO 0.26 -0.64 1.92 0.00 -0.33 0.00 0.00 177.00 178.21 3a8p h ARG 563 N 7.15 0.00 -1.45 5.54 2.47 -0.30 -3.46 114.38 124.33 3a8p h ARG 563 Ca -0.43 0.00 0.22 0.00 -1.26 0.00 0.00 59.98 58.52 3a8p h ARG 563 Cb 1.20 0.00 -0.21 0.00 -1.65 0.00 0.00 29.97 29.32 3a8p h ARG 563 CO 0.92 0.22 0.79 0.00 0.56 0.00 0.00 179.97 182.45 3a8p s ALA 565 N -2.04 2.65 -0.11 0.00 0.00 -1.26 -1.03 121.76 119.97 3a8p s ALA 565 Ca 0.08 -1.96 -0.03 0.00 0.00 0.00 0.00 51.96 50.04 3a8p s ALA 565 Cb -0.01 -0.01 0.05 0.00 0.00 0.00 0.00 23.12 23.15 3a8p s ALA 565 CO -0.05 0.07 0.14 -1.17 0.00 0.00 0.00 175.76 174.75 3a8p s LEU 566 N -3.52 0.01 -0.53 0.00 2.96 0.18 -4.97 118.68 112.82 3a8p s LEU 566 Ca 0.30 0.09 -0.26 0.00 -0.22 0.00 0.00 54.13 54.05 3a8p s LEU 566 Cb 0.01 0.16 0.03 0.00 0.50 0.00 0.00 46.19 46.89 3a8p s LEU 566 CO 0.14 -0.27 1.01 -0.36 -1.32 0.00 0.00 176.35 175.54 3a8p s PHE 567 N 2.26 2.79 -0.79 5.38 0.08 -1.26 -0.55 117.98 125.88 3a8p s PHE 567 Ca 0.04 0.24 0.09 0.00 0.12 0.00 0.00 56.93 57.43 3a8p s PHE 567 Cb -0.13 -4.17 0.49 0.00 -0.57 0.00 0.00 43.02 38.64 3a8p s PHE 567 CO -0.07 -1.33 1.28 0.00 -0.10 0.00 0.00 175.22 175.01 3a8p n ALA 568 N 7.62 3.20 -1.63 5.36 0.00 0.66 -4.87 120.51 130.85 3a8p n ALA 568 Ca 0.05 -1.11 -0.48 0.00 0.00 0.00 0.00 53.44 51.91 3a8p n ALA 568 Cb 0.48 -1.06 -0.04 0.00 0.00 0.00 0.00 19.45 18.83 3a8p n ALA 568 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3a8p n GLU 569 N 0.46 1.66 -3.31 0.00 2.13 -1.25 -1.84 120.64 118.49 3a8p n GLU 569 Ca 0.17 0.59 -0.24 0.00 0.66 0.00 0.00 57.16 58.34 3a8p n GLU 569 Cb 0.76 -2.23 0.03 0.00 0.27 0.00 0.00 31.44 30.26 3a8p n GLU 569 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 3a8p n ASP 570 N 2.50 -5.32 -4.89 4.31 8.00 -1.26 -3.77 116.55 116.12 3a8p n ASP 570 Ca 0.15 -0.41 -0.24 0.00 0.71 0.00 0.00 54.79 54.99 3a8p n ASP 570 Cb 0.26 -4.29 0.07 0.00 -0.02 0.00 0.00 41.12 37.14 3a8p n ASP 570 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3a8p s SER 571 N -2.86 4.84 -0.04 -2.24 0.01 -0.77 -4.12 113.70 108.53 3a8p s SER 571 Ca 0.41 0.26 0.02 0.00 1.31 0.00 0.00 55.95 57.96 3a8p s SER 571 Cb -0.20 -0.93 0.01 0.00 0.21 0.00 0.00 66.02 65.11 3a8p s SER 571 CO 0.51 -1.54 -0.09 -0.63 0.41 0.00 0.00 173.24 171.90 3a8p s ILE 572 N -3.13 0.82 -0.08 1.44 1.01 -0.51 -4.95 121.20 115.80 3a8p s ILE 572 Ca 0.60 -0.35 0.05 0.00 0.00 0.00 0.00 60.65 60.95 3a8p s ILE 572 Cb -0.10 -0.74 -0.01 0.00 0.01 0.00 0.00 42.46 41.62 3a8p s ILE 572 CO 0.43 0.26 -0.24 -0.69 0.00 0.00 0.00 174.94 174.71 3a8p s VAL 573 N 0.37 2.16 -0.03 2.92 1.01 -1.26 -1.52 120.40 124.05 3a8p s VAL 573 Ca -0.06 -1.01 0.01 0.00 0.00 0.00 0.00 61.98 60.92 3a8p s VAL 573 Cb -0.11 -1.80 0.01 0.00 0.00 0.00 0.00 36.38 34.48 3a8p s VAL 573 CO 0.01 0.57 -0.05 -1.10 0.00 0.00 0.00 175.10 174.52 3a8p s GLN 574 N 0.01 0.70 0.61 2.72 -1.52 0.25 -4.96 119.66 117.47 3a8p s GLN 574 Ca -0.08 -0.16 -0.17 0.00 -1.95 0.00 0.00 55.36 53.00 3a8p s GLN 574 Cb -0.15 -0.70 -0.02 0.00 -0.22 0.00 0.00 33.01 31.92 3a8p s GLN 574 CO 0.05 0.01 1.11 -1.54 -0.25 0.00 0.00 175.29 174.67 3a8p s SER 575 N 0.47 5.40 -0.49 5.90 1.04 -1.26 0.81 113.70 125.57 3a8p s SER 575 Ca -0.06 2.03 0.08 0.00 0.48 0.00 0.00 55.95 58.48 3a8p s SER 575 Cb -0.10 -2.56 0.27 0.00 0.10 0.00 0.00 66.02 63.74 3a8p s SER 575 CO 0.00 -1.43 0.68 0.52 0.98 0.00 0.00 173.24 173.99 3a8p n VAL 576 N -1.99 0.83 0.31 5.02 0.31 0.10 -4.79 118.33 118.13 3a8p n VAL 576 Ca 0.11 -4.68 0.19 0.00 -0.01 0.00 0.00 64.34 59.95 3a8p n VAL 576 Cb 0.52 -1.70 0.98 0.00 -0.91 0.00 0.00 33.84 32.73 3a8p n VAL 576 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 3a8p h PRO 577 N 3.80 0.00 -0.03 5.55 0.13 -1.94 -2.29 132.00 137.22 3a8p h PRO 577 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 3a8p h PRO 577 Cb 0.78 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.91 3a8p h PRO 577 CO 0.63 0.02 0.00 -0.85 -0.23 0.00 0.00 178.00 177.57 3a8p n GLU 578 N -3.22 1.06 -1.97 0.86 0.00 -1.26 -4.81 120.64 111.30 3a8p n GLU 578 Ca -0.02 -0.10 -0.43 0.00 0.00 0.00 0.00 57.16 56.62 3a8p n GLU 578 Cb 0.16 -1.04 -0.03 0.00 0.00 0.00 0.00 31.44 30.54 3a8p n GLU 578 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.13 175.55 3a8p s HIS 579 N -1.96 1.87 0.22 -1.84 2.46 -0.86 -4.90 115.29 110.28 3a8p s HIS 579 Ca 0.04 0.27 -0.13 0.00 0.47 0.00 0.00 55.06 55.71 3a8p s HIS 579 Cb 0.02 -3.98 0.28 0.00 -0.13 0.00 0.00 32.58 28.77 3a8p s HIS 579 CO 0.03 -3.76 1.61 -1.00 -2.47 0.00 0.00 174.74 169.15 3a8p h PRO 580 N 10.54 -0.01 0.02 2.88 0.13 -1.92 -3.32 132.00 140.33 3a8p h PRO 580 Ca -0.39 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.41 3a8p h PRO 580 Cb 1.18 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.27 3a8p h PRO 580 CO 0.97 -0.00 -1.86 0.36 -0.23 0.00 0.00 178.00 177.23 3a8p n LYS 581 N -5.47 0.62 -3.93 0.86 2.85 -1.26 -5.00 118.16 106.83 3a8p n LYS 581 Ca 0.09 0.39 -0.30 0.00 -1.05 0.00 0.00 58.31 57.45 3a8p n LYS 581 Cb 0.37 -1.65 -0.04 0.00 -0.65 0.00 0.00 35.03 33.05 3a8p n LYS 581 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 3a8p s LYS 582 N -2.45 3.42 0.30 -1.58 1.02 -1.25 -5.11 119.74 114.08 3a8p s LYS 582 Ca -0.31 -0.48 0.07 0.00 0.02 0.00 0.00 55.97 55.27 3a8p s LYS 582 Cb 0.09 -3.01 -0.03 0.00 -0.52 0.00 0.00 37.83 34.35 3a8p s LYS 582 CO 0.60 0.59 0.24 -1.21 -0.92 0.00 0.00 175.35 174.65 3a8p s GLU 583 N -2.67 2.79 -1.84 1.68 2.02 -1.26 -4.48 118.70 114.93 3a8p s GLU 583 Ca 0.35 -1.20 0.00 0.00 0.02 0.00 0.00 54.97 54.13 3a8p s GLU 583 Cb -0.13 -2.50 0.00 0.00 0.10 0.00 0.00 34.13 31.61 3a8p s GLU 583 CO 0.28 0.24 0.00 0.72 0.02 0.00 0.00 175.26 176.51 3a8p n HIS 584 N -1.27 -0.85 -3.48 1.61 8.25 -1.26 -4.66 115.22 113.55 3a8p n HIS 584 Ca -0.05 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.05 3a8p n HIS 584 Cb 0.59 -3.90 -0.06 0.00 1.12 0.00 0.00 29.99 27.74 3a8p n HIS 584 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 3a8p s VAL 585 N -3.00 5.00 0.19 1.59 -7.23 -1.26 -0.49 120.40 115.20 3a8p s VAL 585 Ca 0.00 0.78 0.05 0.00 -1.81 0.00 0.00 61.98 60.99 3a8p s VAL 585 Cb 0.00 -3.71 -0.05 0.00 0.56 0.00 0.00 36.38 33.18 3a8p s VAL 585 CO 0.00 0.46 -0.07 0.72 -0.31 0.00 0.00 175.10 175.91 3a8p s PHE 586 N -1.21 1.46 -0.10 2.82 -0.71 -0.16 -0.72 117.98 119.36 3a8p s PHE 586 Ca 0.28 -0.80 0.02 0.00 -1.04 0.00 0.00 56.93 55.40 3a8p s PHE 586 Cb -0.16 -0.78 0.01 0.00 -1.21 0.00 0.00 43.02 40.88 3a8p s PHE 586 CO 0.16 0.08 -0.16 0.00 -1.34 0.00 0.00 175.22 173.95 3a8p s LEU 588 N 0.79 3.33 -0.11 0.00 0.20 -0.13 -0.58 118.68 122.18 3a8p s LEU 588 Ca -0.11 -0.09 0.02 0.00 0.69 0.00 0.00 54.13 54.64 3a8p s LEU 588 Cb -0.16 -1.80 0.01 0.00 -0.43 0.00 0.00 46.19 43.82 3a8p s LEU 588 CO 0.02 0.19 -0.15 -0.94 -0.29 0.00 0.00 176.35 175.17 3a8p s SER 589 N 0.27 2.45 0.23 3.68 1.04 -0.58 -0.74 113.70 120.06 3a8p s SER 589 Ca -0.02 -0.43 0.02 0.00 0.48 0.00 0.00 55.95 56.00 3a8p s SER 589 Cb -0.14 -1.10 0.03 0.00 0.10 0.00 0.00 66.02 64.92 3a8p s SER 589 CO 0.03 0.01 0.24 -0.46 0.98 0.00 0.00 173.24 174.04 3a8p n ASN 590 N 4.22 0.56 0.00 7.02 0.23 -0.96 -1.43 115.26 124.90 3a8p n ASN 590 Ca -0.19 -1.42 0.14 0.00 -0.53 0.00 0.00 54.58 52.58 3a8p n ASN 590 Cb 0.51 -0.13 0.68 0.00 -2.08 0.00 0.00 39.78 38.76 3a8p n ASN 590 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 3a8p n SER 591 N -2.84 0.00 0.08 0.53 3.41 -1.25 -3.32 113.62 110.23 3a8p n SER 591 Ca 0.05 0.12 0.01 0.00 -0.26 0.00 0.00 58.87 58.78 3a8p n SER 591 Cb 0.17 -0.37 -0.04 0.00 -0.26 0.00 0.00 64.21 63.71 3a8p n SER 591 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3a8p n GLY 593 N 1.32 1.46 3.89 0.00 0.00 -1.21 -4.64 105.19 106.00 3a8p n GLY 593 Ca -0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.67 3a8p n GLY 593 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3a8p s ASP 594 N -2.00 6.18 -0.06 1.61 1.01 -1.26 -3.94 116.67 118.21 3a8p s ASP 594 Ca 0.00 0.22 0.02 0.00 0.71 0.00 0.00 52.55 53.51 3a8p s ASP 594 Cb 0.00 -1.86 0.01 0.00 1.01 0.00 0.00 42.92 42.08 3a8p s ASP 594 CO 0.00 0.19 -0.12 -0.69 0.21 0.00 0.00 175.17 174.75 3a8p s VAL 595 N -1.45 1.10 0.10 -1.27 1.01 0.12 -2.28 120.40 117.74 3a8p s VAL 595 Ca 0.33 -0.48 0.07 0.00 0.00 0.00 0.00 61.98 61.90 3a8p s VAL 595 Cb -0.13 -1.00 -0.03 0.00 0.00 0.00 0.00 36.38 35.22 3a8p s VAL 595 CO 0.25 0.34 -0.17 -0.31 0.00 0.00 0.00 175.10 175.22 3a8p s TYR 596 N 0.55 1.53 0.04 5.22 2.02 0.08 0.27 117.35 127.07 3a8p s TYR 596 Ca -0.12 -0.47 0.05 0.00 -0.37 0.00 0.00 57.07 56.16 3a8p s TYR 596 Cb -0.14 -0.83 -0.04 0.00 -0.40 0.00 0.00 41.96 40.55 3a8p s TYR 596 CO 0.03 0.16 -0.08 -0.51 -1.57 0.00 0.00 175.55 173.58 3a8p s LEU 597 N -2.07 3.11 0.09 -1.29 1.43 -0.21 -0.95 118.68 118.78 3a8p s LEU 597 Ca 0.06 -0.24 0.01 0.00 -1.03 0.00 0.00 54.13 52.93 3a8p s LEU 597 Cb -0.08 -1.83 -0.04 0.00 0.03 0.00 0.00 46.19 44.27 3a8p s LEU 597 CO 0.04 0.24 -0.04 -0.36 0.23 0.00 0.00 176.35 176.46 3a8p s PHE 598 N -1.07 0.80 -0.09 0.29 0.08 0.16 -1.51 117.98 116.63 3a8p s PHE 598 Ca 0.19 -0.99 -0.02 0.00 0.12 0.00 0.00 56.93 56.24 3a8p s PHE 598 Cb -0.11 -0.49 0.03 0.00 -0.57 0.00 0.00 43.02 41.88 3a8p s PHE 598 CO 0.10 -0.24 0.00 -1.14 -0.10 0.00 0.00 175.22 173.84 3a8p s GLN 599 N -3.88 0.66 0.90 0.44 0.74 -0.62 -0.99 119.66 116.92 3a8p s GLN 599 Ca 0.12 0.02 -0.12 0.00 0.05 0.00 0.00 55.36 55.42 3a8p s GLN 599 Cb 0.06 -1.17 0.18 0.00 1.10 0.00 0.00 33.01 33.18 3a8p s GLN 599 CO -0.05 -0.35 1.24 0.00 -0.55 0.00 0.00 175.29 175.57 3a8p s ALA 600 N 1.94 2.63 -0.82 1.58 0.00 0.36 -2.66 121.76 124.80 3a8p s ALA 600 Ca 0.04 -1.34 0.24 0.00 0.00 0.00 0.00 51.96 50.90 3a8p s ALA 600 Cb -0.13 -2.57 0.28 0.00 0.00 0.00 0.00 23.12 20.71 3a8p s ALA 600 CO -0.06 -2.18 1.24 0.25 0.00 0.00 0.00 175.76 175.02 3a8p n THR 601 N -3.52 0.12 -3.79 0.00 -2.24 -1.26 -4.82 114.28 98.77 3a8p n THR 601 Ca 0.15 -0.12 -0.02 0.00 -2.27 0.00 0.00 64.05 61.78 3a8p n THR 601 Cb 0.60 0.22 0.00 0.00 -2.10 0.00 0.00 70.33 69.05 3a8p n THR 601 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3a8p s SER 602 N -3.51 -0.08 0.24 3.42 1.04 -1.26 -4.98 113.70 108.57 3a8p s SER 602 Ca 0.08 -0.46 -0.01 0.00 0.48 0.00 0.00 55.95 56.04 3a8p s SER 602 Cb 0.16 0.43 0.28 0.00 0.10 0.00 0.00 66.02 66.99 3a8p s SER 602 CO 0.75 -0.83 1.66 -0.61 0.98 0.00 0.00 173.24 175.19 3a8p h GLN 603 N 2.00 0.62 -0.33 4.02 5.75 -1.94 -0.41 115.11 124.82 3a8p h GLN 603 Ca -0.26 -0.25 -0.07 0.00 -0.15 0.00 0.00 58.65 57.91 3a8p h GLN 603 Cb 1.22 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 29.73 3a8p h GLN 603 CO 0.30 0.82 -0.08 1.15 -2.65 0.00 0.00 178.83 178.37 3a8p h THR 604 N 0.54 1.28 -0.37 2.39 2.02 -1.99 -1.66 112.91 115.12 3a8p h THR 604 Ca 0.07 -1.14 0.00 0.00 0.77 0.00 0.00 66.41 66.12 3a8p h THR 604 Cb 0.73 1.35 -0.02 0.00 -1.74 0.00 0.00 68.15 68.47 3a8p h THR 604 CO 0.06 0.37 0.24 -0.78 0.37 0.00 0.00 175.52 175.78 3a8p h ASP 605 N 0.41 0.43 -0.63 4.18 3.58 -1.88 -0.51 116.42 122.00 3a8p h ASP 605 Ca 0.08 -0.02 0.08 0.00 0.42 0.00 0.00 57.03 57.59 3a8p h ASP 605 Cb 0.58 -0.11 -0.06 0.00 1.72 0.00 0.00 39.33 41.46 3a8p h ASP 605 CO 0.03 0.32 0.30 0.25 -2.88 0.00 0.00 179.24 177.26 3a8p h LEU 606 N 0.50 0.38 -0.87 2.28 6.46 -0.95 -0.96 115.31 122.15 3a8p h LEU 606 Ca 0.14 0.06 -0.07 0.00 -0.12 0.00 0.00 57.88 57.88 3a8p h LEU 606 Cb -0.05 -0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 39.85 3a8p h LEU 606 CO -0.03 0.23 0.05 -0.33 -0.62 0.00 0.00 178.44 177.74 3a8p h GLU 607 N 0.53 0.88 -0.31 1.25 5.08 -0.63 -1.26 114.58 120.12 3a8p h GLU 607 Ca 0.31 -0.23 -0.10 0.00 -1.00 0.00 0.00 59.36 58.33 3a8p h GLU 607 Cb 0.30 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 3a8p h GLU 607 CO -0.25 0.85 -0.23 -0.91 -1.00 0.00 0.00 179.01 177.47 3a8p h ASN 608 N 0.83 0.61 -0.32 1.42 2.35 -0.33 -0.75 115.58 119.39 3a8p h ASN 608 Ca 0.17 -0.21 -0.13 0.00 -0.55 0.00 0.00 56.30 55.58 3a8p h ASN 608 Cb 0.43 -0.17 -0.00 0.00 0.05 0.00 0.00 38.32 38.62 3a8p h ASN 608 CO 0.01 0.83 -0.31 -0.50 -1.65 0.00 0.00 177.43 175.81 3a8p h TRP 609 N 0.53 0.93 -0.06 1.19 4.06 -0.89 0.05 115.95 121.76 3a8p h TRP 609 Ca 0.08 -0.28 -0.00 0.00 2.06 0.00 0.00 58.89 60.75 3a8p h TRP 609 Cb 0.69 -0.20 -0.00 0.00 -1.00 0.00 0.00 29.16 28.65 3a8p h TRP 609 CO 0.03 1.05 0.03 0.28 -3.56 0.00 0.00 178.44 176.27 3a8p h VAL 610 N 0.54 1.09 -0.68 1.49 2.07 -1.09 -0.60 116.25 119.07 3a8p h VAL 610 Ca 0.05 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.32 3a8p h VAL 610 Cb 0.89 1.15 -0.03 0.00 -1.52 0.00 0.00 31.29 31.78 3a8p h VAL 610 CO 0.08 0.07 0.43 0.74 0.02 0.00 0.00 177.57 178.91 3a8p h THR 611 N -0.01 1.19 -0.36 2.57 2.02 -1.12 -1.62 112.91 115.57 3a8p h THR 611 Ca 0.02 -0.39 -0.02 0.00 0.77 0.00 0.00 66.41 66.79 3a8p h THR 611 Cb 0.09 0.22 -0.02 0.00 -1.74 0.00 0.00 68.15 66.70 3a8p h THR 611 CO -0.00 0.19 0.15 0.00 0.37 0.00 0.00 175.52 176.23 3a8p h ALA 612 N 1.23 0.47 -0.17 6.16 0.00 -0.73 -1.13 119.26 125.08 3a8p h ALA 612 Ca 0.25 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 3a8p h ALA 612 Cb -0.06 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 3a8p h ALA 612 CO -0.05 0.06 -0.11 0.82 0.00 0.00 0.00 179.25 179.98 3a8p h ILE 613 N 0.44 1.32 -0.80 0.00 2.04 -0.96 -1.36 117.51 118.19 3a8p h ILE 613 Ca 0.12 -1.20 0.01 0.00 1.00 0.00 0.00 64.86 64.80 3a8p h ILE 613 Cb 0.17 1.74 -0.04 0.00 -0.74 0.00 0.00 36.82 37.95 3a8p h ILE 613 CO -0.01 0.36 0.53 0.45 0.00 0.00 0.00 178.15 179.47 3a8p h HIS 614 N 0.05 0.99 -0.30 1.37 3.86 -1.29 -0.26 115.15 119.57 3a8p h HIS 614 Ca 0.04 0.02 -0.09 0.00 -1.16 0.00 0.00 60.37 59.18 3a8p h HIS 614 Cb 0.61 -0.33 -0.01 0.00 1.06 0.00 0.00 27.41 28.74 3a8p h HIS 614 CO 0.07 0.61 -0.15 0.77 0.86 0.00 0.00 177.93 180.10 3a8p h SER 615 N 1.06 0.65 -0.57 2.45 0.02 -1.08 0.93 113.55 117.00 3a8p h SER 615 Ca 0.30 -0.41 0.00 0.00 -0.84 0.00 0.00 61.79 60.84 3a8p h SER 615 Cb -0.09 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 62.24 3a8p h SER 615 CO -0.07 0.91 0.37 0.00 -1.14 0.00 0.00 176.83 176.91 3a8p h ALA 616 N 0.76 0.73 -0.56 3.77 0.00 -0.84 -0.33 119.26 122.79 3a8p h ALA 616 Ca 0.07 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 3a8p h ALA 616 Cb 0.67 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 3a8p h ALA 616 CO 0.04 0.17 0.18 0.00 0.00 0.00 0.00 179.25 179.65 3a8p h ALA 618 N 1.04 0.77 -0.00 0.00 0.00 -0.43 0.12 119.26 120.78 3a8p h ALA 618 Ca 0.18 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.04 3a8p h ALA 618 Cb 0.27 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3a8p h ALA 618 CO -0.01 0.23 -0.07 1.03 0.00 0.00 0.00 179.25 180.44 3a8p h SER 619 N 0.83 -0.19 -0.56 0.00 0.87 -0.70 -0.79 113.55 113.00 3a8p h SER 619 Ca 0.22 0.03 -0.04 0.00 -1.23 0.00 0.00 61.79 60.77 3a8p h SER 619 Cb -0.06 0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 61.96 3a8p h SER 619 CO -0.04 -0.10 0.21 0.25 -0.53 0.00 0.00 176.83 176.62 3a8p h LEU 620 N -0.12 0.79 -0.69 2.23 5.85 -0.99 -2.42 115.31 119.97 3a8p h LEU 620 Ca 0.03 -0.18 0.08 0.00 0.84 0.00 0.00 57.88 58.65 3a8p h LEU 620 Cb 0.15 -0.21 -0.07 0.00 0.37 0.00 0.00 40.66 40.91 3a8p h LEU 620 CO -0.07 0.76 0.36 0.15 -0.34 0.00 0.00 178.44 179.29 3a8p h PHE 621 N 0.78 0.64 -0.45 1.25 3.57 -0.44 -2.22 116.94 120.06 3a8p h PHE 621 Ca 0.19 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.68 3a8p h PHE 621 Cb 0.22 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 38.76 3a8p h PHE 621 CO 0.01 0.26 0.14 0.00 -2.23 0.00 0.00 178.31 176.49 3a8p h ALA 622 N 1.40 0.59 -0.79 2.41 0.00 -0.83 -2.94 119.26 119.10 3a8p h ALA 622 Ca 0.33 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 3a8p h ALA 622 Cb 0.30 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 3a8p h ALA 622 CO -0.24 0.25 0.42 0.87 0.00 0.00 0.00 179.25 180.55 3a8p h LYS 623 N 0.59 1.11 0.00 0.00 1.57 -1.07 -0.40 116.57 118.37 3a8p h LYS 623 Ca 0.14 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3a8p h LYS 623 Cb 0.27 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.37 3a8p h LYS 623 CO -0.00 0.82 0.00 0.87 -0.57 0.00 0.00 179.45 180.57 3a8p h LYS 624 N 1.11 0.00 -0.24 3.15 1.57 -1.28 -0.62 116.57 120.26 3a8p h LYS 624 Ca 0.28 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.06 3a8p h LYS 624 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.35 3a8p h LYS 624 CO -0.04 0.00 0.00 0.72 -0.57 0.00 0.00 179.45 179.56 3a8p n HIS 625 N -2.54 0.29 -1.85 -1.35 8.25 -0.30 -4.96 115.22 112.76 3a8p n HIS 625 Ca 0.01 -0.15 -0.15 0.00 -0.26 0.00 0.00 57.72 57.17 3a8p n HIS 625 Cb 0.23 -0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.30 3a8p n HIS 625 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3a8p n GLY 626 N 1.36 0.63 3.73 -1.41 0.00 -0.24 -5.00 105.19 104.26 3a8p n GLY 626 Ca 0.16 -0.30 -0.34 0.00 0.00 0.00 0.00 46.02 45.54 3a8p n GLY 626 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3a8p s LYS 627 N -3.98 3.00 -0.17 1.61 -0.14 -0.38 -5.00 119.74 114.68 3a8p s LYS 627 Ca 0.00 -0.45 0.12 0.00 -1.36 0.00 0.00 55.97 54.27 3a8p s LYS 627 Cb 0.00 -2.81 -0.23 0.00 -1.68 0.00 0.00 37.83 33.10 3a8p s LYS 627 CO 0.00 0.68 0.18 -1.91 -0.76 0.00 0.00 175.35 173.54 3a8p n GLU 628 N 1.68 0.68 -2.92 1.68 2.13 -1.26 -4.15 120.64 118.48 3a8p n GLU 628 Ca -0.16 0.12 -0.44 0.00 0.66 0.00 0.00 57.16 57.34 3a8p n GLU 628 Cb 0.53 -1.60 -0.02 0.00 0.27 0.00 0.00 31.44 30.62 3a8p n GLU 628 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 3a8p s ASP 629 N -5.96 6.69 0.17 4.31 -1.08 -1.26 -4.89 116.67 114.66 3a8p s ASP 629 Ca -0.14 -2.18 -0.14 0.00 -0.52 0.00 0.00 52.55 49.56 3a8p s ASP 629 Cb 0.07 -2.41 0.13 0.00 -1.46 0.00 0.00 42.92 39.26 3a8p s ASP 629 CO 0.78 -1.03 1.73 0.74 0.52 0.00 0.00 175.17 177.91 3a8p h THR 630 N 5.68 0.78 -0.50 1.71 2.02 -1.95 -2.01 112.91 118.64 3a8p h THR 630 Ca 0.19 -0.08 0.01 0.00 0.77 0.00 0.00 66.41 67.29 3a8p h THR 630 Cb 1.00 0.53 -0.03 0.00 -1.74 0.00 0.00 68.15 67.91 3a8p h THR 630 CO 1.14 0.04 0.33 0.58 0.37 0.00 0.00 175.52 177.98 3a8p h VAL 631 N 0.23 1.12 -0.38 3.16 2.07 -1.97 -1.05 116.25 119.42 3a8p h VAL 631 Ca 0.21 -0.23 -0.06 0.00 0.82 0.00 0.00 66.70 67.44 3a8p h VAL 631 Cb 0.26 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 30.40 3a8p h VAL 631 CO -0.27 0.12 -0.02 -0.09 0.02 0.00 0.00 177.57 177.34 3a8p h ARG 632 N 0.66 0.61 -0.22 1.57 2.43 -1.92 -0.98 114.38 116.54 3a8p h ARG 632 Ca 0.18 -0.15 -0.03 0.00 -0.81 0.00 0.00 59.98 59.17 3a8p h ARG 632 Cb -0.07 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.39 3a8p h ARG 632 CO -0.04 0.65 0.01 1.25 -1.51 0.00 0.00 179.97 180.32 3a8p h LEU 633 N 0.58 0.37 -0.53 3.80 5.85 -0.92 -1.83 115.31 122.62 3a8p h LEU 633 Ca 0.12 -0.30 -0.01 0.00 0.84 0.00 0.00 57.88 58.54 3a8p h LEU 633 Cb 0.39 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.30 3a8p h LEU 633 CO 0.02 0.57 0.30 -0.07 -0.34 0.00 0.00 178.44 178.92 3a8p h LEU 634 N 0.15 0.66 -0.67 2.25 3.38 -0.91 -0.73 115.31 119.44 3a8p h LEU 634 Ca 0.06 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 3a8p h LEU 634 Cb 0.38 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 3a8p h LEU 634 CO 0.01 0.55 0.35 0.11 0.09 0.00 0.00 178.44 179.55 3a8p h LYS 635 N 0.72 0.95 -0.68 1.13 1.57 -1.16 -0.88 116.57 118.21 3a8p h LYS 635 Ca 0.19 -0.12 -0.06 0.00 -1.87 0.00 0.00 60.65 58.79 3a8p h LYS 635 Cb 0.03 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.13 3a8p h LYS 635 CO -0.03 0.73 0.18 1.03 -0.57 0.00 0.00 179.45 180.79 3a8p h SER 636 N 0.93 1.01 -0.56 0.86 0.87 -1.02 -1.97 113.55 113.67 3a8p h SER 636 Ca 0.24 -0.23 -0.02 0.00 -1.23 0.00 0.00 61.79 60.55 3a8p h SER 636 Cb 0.07 -0.27 -0.03 0.00 -0.44 0.00 0.00 62.40 61.74 3a8p h SER 636 CO -0.03 0.98 0.26 1.56 -0.53 0.00 0.00 176.83 179.06 3a8p h GLN 637 N 1.01 0.81 -0.76 2.24 1.08 -0.71 -2.20 115.11 116.57 3a8p h GLN 637 Ca 0.21 -0.13 -0.06 0.00 -1.45 0.00 0.00 58.65 57.23 3a8p h GLN 637 Cb 0.35 -0.14 -0.03 0.00 -0.05 0.00 0.00 27.48 27.60 3a8p h GLN 637 CO -0.00 0.67 0.25 1.79 -0.95 0.00 0.00 178.83 180.59 3a8p h THR 638 N 0.75 1.26 -0.65 -0.54 1.35 -0.88 -0.38 112.91 113.83 3a8p h THR 638 Ca 0.19 -0.90 -0.09 0.00 -0.55 0.00 0.00 66.41 65.06 3a8p h THR 638 Cb 0.14 0.41 -0.02 0.00 -1.73 0.00 0.00 68.15 66.95 3a8p h THR 638 CO -0.02 0.36 0.06 0.03 -0.25 0.00 0.00 175.52 175.69 3a8p h ARG 639 N 1.13 1.11 -0.31 4.72 3.08 -1.22 -0.53 114.38 122.36 3a8p h ARG 639 Ca 0.25 -0.32 -0.03 0.00 0.07 0.00 0.00 59.98 59.95 3a8p h ARG 639 Cb 0.29 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 3a8p h ARG 639 CO -0.01 1.04 0.10 1.03 -1.07 0.00 0.00 179.97 181.06 3a8p h SER 640 N 1.03 0.46 -0.75 7.04 0.87 -1.11 -1.66 113.55 119.42 3a8p h SER 640 Ca 0.19 -0.20 -0.03 0.00 -1.23 0.00 0.00 61.79 60.51 3a8p h SER 640 Cb 0.50 -0.12 -0.03 0.00 -0.44 0.00 0.00 62.40 62.31 3a8p h SER 640 CO 0.02 0.54 0.34 -0.07 -0.53 0.00 0.00 176.83 177.13 3a8p h LEU 641 N 0.35 1.00 -1.66 2.23 3.38 -0.88 -1.53 115.31 118.20 3a8p h LEU 641 Ca 0.10 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 3a8p h LEU 641 Cb 0.25 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 3a8p h LEU 641 CO -0.00 0.87 -0.18 -0.07 0.09 0.00 0.00 178.44 179.15 3a8p h LEU 642 N 1.06 0.00 -0.14 1.67 3.38 -0.92 0.00 115.31 120.36 3a8p h LEU 642 Ca 0.25 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.17 3a8p h LEU 642 Cb 0.15 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 3a8p h LEU 642 CO -0.03 0.18 -0.13 -0.61 0.09 0.00 0.00 178.44 177.94 3a8p h GLN 643 N 0.00 0.34 -0.67 1.13 4.15 -0.34 -0.42 115.11 119.30 3a8p h GLN 643 Ca -0.00 -0.17 -0.05 0.00 0.77 0.00 0.00 58.65 59.19 3a8p h GLN 643 Cb 0.33 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 27.99 3a8p h GLN 643 CO 0.02 0.72 0.21 0.87 -1.93 0.00 0.00 178.83 178.72 3a8p h LYS 644 N -0.03 1.02 -0.31 1.69 1.57 -0.86 -1.22 116.57 118.43 3a8p h LYS 644 Ca 0.02 -0.20 -0.04 0.00 -1.87 0.00 0.00 60.65 58.56 3a8p h LYS 644 Cb 0.65 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.79 3a8p h LYS 644 CO 0.03 0.87 0.02 0.82 -0.57 0.00 0.00 179.45 180.63 3a8p h ILE 645 N 0.99 1.25 -0.20 1.86 2.04 -0.97 -1.69 117.51 120.79 3a8p h ILE 645 Ca 0.22 -0.89 0.04 0.00 1.00 0.00 0.00 64.86 65.23 3a8p h ILE 645 Cb 0.28 1.22 -0.04 0.00 -0.74 0.00 0.00 36.82 37.54 3a8p h ILE 645 CO -0.01 0.29 -0.06 -0.78 0.00 0.00 0.00 178.15 177.60 3a8p h ASP 646 N 0.34 -0.20 0.70 1.72 1.82 -0.66 -0.75 116.42 119.39 3a8p h ASP 646 Ca 0.09 0.06 -0.03 0.00 -0.39 0.00 0.00 57.03 56.76 3a8p h ASP 646 Cb 0.40 0.13 0.00 0.00 0.68 0.00 0.00 39.33 40.54 3a8p h ASP 646 CO 0.01 -0.08 -0.37 -0.03 -1.61 0.00 0.00 179.24 177.17 3a8p h MET 647 N -0.01 -0.95 -0.27 0.28 4.05 -1.09 -1.37 114.93 115.57 3a8p h MET 647 Ca 0.10 0.06 -0.02 0.00 -0.28 0.00 0.00 59.70 59.56 3a8p h MET 647 Cb 0.16 0.22 -0.01 0.00 -0.80 0.00 0.00 31.60 31.16 3a8p h MET 647 CO -0.21 -0.63 0.06 -0.44 0.23 0.00 0.00 176.91 175.92 3a8p h ASP 648 N -0.98 0.34 0.03 1.39 3.45 -1.27 -1.77 116.42 117.62 3a8p h ASP 648 Ca -0.09 -0.04 -0.00 0.00 0.43 0.00 0.00 57.03 57.33 3a8p h ASP 648 Cb 0.77 -0.09 0.00 0.00 -0.56 0.00 0.00 39.33 39.45 3a8p h ASP 648 CO 0.13 0.36 -0.02 0.28 -1.57 0.00 0.00 179.24 178.42 3a8p h SER 649 N 0.38 -0.04 -0.70 6.45 0.02 -1.03 -0.16 113.55 118.47 3a8p h SER 649 Ca 0.09 -0.32 0.01 0.00 -0.84 0.00 0.00 61.79 60.73 3a8p h SER 649 Cb 0.16 0.01 -0.04 0.00 0.14 0.00 0.00 62.40 62.68 3a8p h SER 649 CO -0.00 0.31 0.46 0.11 -1.14 0.00 0.00 176.83 176.56 3a8p h LYS 650 N -0.39 0.90 -0.11 3.45 1.57 -1.03 0.81 116.57 121.76 3a8p h LYS 650 Ca -0.00 -0.05 -0.09 0.00 -1.87 0.00 0.00 60.65 58.63 3a8p h LYS 650 Cb 0.36 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 3a8p h LYS 650 CO 0.01 0.59 -0.33 0.52 -0.57 0.00 0.00 179.45 179.67 3a8p h MET 651 N 0.92 0.22 -0.38 3.15 2.86 -1.30 -0.41 114.93 120.00 3a8p h MET 651 Ca 0.27 -0.09 -0.10 0.00 -2.06 0.00 0.00 59.70 57.72 3a8p h MET 651 Cb -0.07 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.57 3a8p h MET 651 CO -0.07 0.53 -0.15 -0.22 1.06 0.00 0.00 176.91 178.06 3a8p h LYS 652 N 0.19 0.77 0.00 1.72 3.64 -0.07 -0.28 116.57 122.54 3a8p h LYS 652 Ca 0.02 -0.32 -0.00 0.00 -1.27 0.00 0.00 60.65 59.08 3a8p h LYS 652 Cb 0.69 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.48 3a8p h LYS 652 CO 0.05 0.94 -0.00 -0.22 -2.27 0.00 0.00 179.45 177.95 3a8p h LYS 653 N 0.57 -0.00 -0.59 1.90 3.64 -0.53 -0.58 116.57 120.98 3a8p h LYS 653 Ca 0.09 0.00 0.10 0.00 -1.27 0.00 0.00 60.65 59.57 3a8p h LYS 653 Cb 0.69 0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 32.43 3a8p h LYS 653 CO 0.05 0.19 0.17 0.52 -2.27 0.00 0.00 179.45 178.10 3a8p h MET 654 N -0.19 0.31 -0.81 1.90 2.86 -1.02 0.02 114.93 117.99 3a8p h MET 654 Ca -0.00 -0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.60 3a8p h MET 654 Cb 0.19 -0.07 -0.04 0.00 0.06 0.00 0.00 31.60 31.74 3a8p h MET 654 CO 0.00 0.20 0.44 0.00 1.06 0.00 0.00 176.91 178.61 3a8p h ALA 655 N 1.44 1.25 -0.11 6.32 0.00 -0.78 -0.61 119.26 126.77 3a8p h ALA 655 Ca 0.30 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 55.00 3a8p h ALA 655 Cb 0.42 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3a8p h ALA 655 CO -0.35 0.61 -0.33 0.93 0.00 0.00 0.00 179.25 180.11 3a8p h GLU 656 N 1.13 0.22 -0.34 0.00 5.08 0.49 -1.04 114.58 120.12 3a8p h GLU 656 Ca 0.28 -0.09 -0.09 0.00 -1.00 0.00 0.00 59.36 58.47 3a8p h GLU 656 Cb 0.04 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 3a8p h GLU 656 CO -0.04 0.53 -0.14 -0.07 -1.00 0.00 0.00 179.01 178.29 3a8p h LEU 657 N 0.19 0.70 -1.22 1.33 4.07 -0.19 -2.96 115.31 117.24 3a8p h LEU 657 Ca 0.02 -0.39 -0.03 0.00 0.08 0.00 0.00 57.88 57.56 3a8p h LEU 657 Cb 0.68 -0.19 -0.03 0.00 1.08 0.00 0.00 40.66 42.20 3a8p h LEU 657 CO 0.05 0.94 0.23 1.56 -1.08 0.00 0.00 178.44 180.14 3a8p h GLN 658 N 0.46 0.77 0.00 1.13 1.08 -0.73 -2.45 115.11 115.38 3a8p h GLN 658 Ca 0.08 -0.11 -0.02 0.00 -1.45 0.00 0.00 58.65 57.15 3a8p h GLN 658 Cb 0.66 -0.14 -0.00 0.00 -0.05 0.00 0.00 27.48 27.95 3a8p h GLN 658 CO 0.04 0.62 -0.09 1.25 -0.95 0.00 0.00 178.83 179.71 3a8p h LEU 659 N 0.76 0.00 -1.12 1.46 5.85 -1.03 -2.07 115.31 119.16 3a8p h LEU 659 Ca 0.19 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.91 3a8p h LEU 659 Cb 0.13 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.16 3a8p h LEU 659 CO -0.02 0.09 0.00 0.77 -0.34 0.00 0.00 178.44 178.94 3a8p h SER 660 N 0.00 0.00 0.00 1.25 4.64 -1.38 -3.21 113.55 114.85 3a8p h SER 660 Ca -0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3a8p h SER 660 Cb 0.16 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.25 3a8p h SER 660 CO 0.01 0.00 -0.08 1.33 -0.87 0.00 0.00 176.83 177.22 3a8p n VAL 661 N -2.99 1.74 -4.42 0.95 0.24 -0.82 -5.03 118.33 108.01 3a8p n VAL 661 Ca 0.01 -2.13 -0.34 0.00 -2.04 0.00 0.00 64.34 59.85 3a8p n VAL 661 Cb 0.34 -0.17 -0.13 0.00 -1.47 0.00 0.00 33.84 32.41 3a8p n VAL 661 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 3a8p s VAL 662 N -2.64 3.65 -0.23 3.34 0.11 -0.99 -5.00 120.40 118.64 3a8p s VAL 662 Ca 0.30 -0.44 -0.16 0.00 -2.93 0.00 0.00 61.98 58.75 3a8p s VAL 662 Cb 0.26 -2.60 -0.12 0.00 -1.53 0.00 0.00 36.38 32.40 3a8p s VAL 662 CO 0.02 0.49 -0.21 -1.20 -3.33 0.00 0.00 175.10 170.87 3a8p n SER 663 N 3.70 1.92 -4.35 3.54 7.64 -1.26 -4.92 113.62 119.89 3a8p n SER 663 Ca -0.18 0.38 -0.55 0.00 1.01 0.00 0.00 58.87 59.54 3a8p n SER 663 Cb 0.52 -0.84 -0.09 0.00 -1.01 0.00 0.00 64.21 62.78 3a8p n SER 663 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 3a8p n ASP 664 N -4.36 1.47 0.26 6.43 -0.08 -1.26 -4.80 116.55 114.21 3a8p n ASP 664 Ca -0.39 0.53 0.09 0.00 -1.51 0.00 0.00 54.79 53.52 3a8p n ASP 664 Cb 0.73 -1.09 0.66 0.00 2.34 0.00 0.00 41.12 43.75 3a8p n ASP 664 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3a8p h PRO 665 N 10.80 0.00 -0.27 -0.67 0.13 -1.98 0.48 132.00 140.49 3a8p h PRO 665 Ca -0.19 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.88 3a8p h PRO 665 Cb 1.37 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.48 3a8p h PRO 665 CO 1.05 0.02 -0.10 -0.22 -0.23 0.00 0.00 178.00 178.53 3a8p h LYS 666 N 0.00 0.45 0.01 0.86 3.64 -2.00 0.17 116.57 119.70 3a8p h LYS 666 Ca -0.00 -0.12 -0.24 0.00 -1.27 0.00 0.00 60.65 59.02 3a8p h LYS 666 Cb 0.04 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 31.77 3a8p h LYS 666 CO 0.00 0.56 -1.28 -0.91 -2.27 0.00 0.00 179.45 175.55 3a8p h ASN 667 N 0.42 0.03 0.07 4.20 -0.26 -1.64 -3.15 115.58 115.24 3a8p h ASN 667 Ca 0.08 -0.04 -0.00 0.00 -0.56 0.00 0.00 56.30 55.78 3a8p h ASN 667 Cb 0.44 -0.01 0.00 0.00 -1.06 0.00 0.00 38.32 37.69 3a8p h ASN 667 CO 0.02 1.03 -0.03 -0.09 -1.06 0.00 0.00 177.43 177.30 3a8p h ARG 668 N 0.00 -0.08 0.00 0.81 2.43 -0.25 -1.48 114.38 115.81 3a8p h ARG 668 Ca -0.12 0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.01 3a8p h ARG 668 Cb 1.87 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 31.44 3a8p h ARG 668 CO 0.11 0.25 -0.19 -0.22 -1.51 0.00 0.00 179.97 178.42 3a8p h LYS 669 N -0.42 0.00 -0.06 0.20 3.64 -0.83 0.24 116.57 119.33 3a8p h LYS 669 Ca -0.01 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 3a8p h LYS 669 Cb 0.37 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.19 3a8p h LYS 669 CO 0.01 0.19 -0.00 0.00 -2.27 0.00 0.00 179.45 177.38 3a8p h ALA 670 N 1.81 0.08 -0.35 5.00 0.00 -1.48 -1.25 119.26 123.08 3a8p h ALA 670 Ca -0.00 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 54.76 3a8p h ALA 670 Cb 0.34 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 3a8p h ALA 670 CO 0.02 -0.24 0.16 0.82 0.00 0.00 0.00 179.25 180.02 3a8p h ILE 671 N -0.20 0.97 0.21 0.00 2.04 -0.64 -1.60 117.51 118.29 3a8p h ILE 671 Ca 0.02 -0.12 0.01 0.00 1.00 0.00 0.00 64.86 65.77 3a8p h ILE 671 Cb 0.35 0.60 -0.04 0.00 -0.74 0.00 0.00 36.82 36.98 3a8p h ILE 671 CO 0.00 0.06 -0.52 -0.33 0.00 0.00 0.00 178.15 177.37 3a8p h GLU 672 N 0.34 -0.78 -0.77 2.37 3.07 -0.83 0.10 114.58 118.08 3a8p h GLU 672 Ca 0.15 0.05 0.11 0.00 -0.50 0.00 0.00 59.36 59.17 3a8p h GLU 672 Cb 0.07 0.18 -0.08 0.00 -0.84 0.00 0.00 28.75 28.08 3a8p h GLU 672 CO -0.11 -0.52 0.39 -0.91 -1.40 0.00 0.00 179.01 176.46 3a8p h ASN 673 N -0.81 0.49 -0.63 1.42 2.35 -1.07 0.04 115.58 117.37 3a8p h ASN 673 Ca -0.02 0.07 0.01 0.00 -0.55 0.00 0.00 56.30 55.82 3a8p h ASN 673 Cb 0.78 -0.01 -0.03 0.00 0.05 0.00 0.00 38.32 39.11 3a8p h ASN 673 CO -0.24 0.26 0.41 -0.61 -1.65 0.00 0.00 177.43 175.60 3a8p h GLN 674 N 0.62 0.81 -0.37 0.81 5.75 -0.73 -0.22 115.11 121.78 3a8p h GLN 674 Ca 0.39 -0.05 -0.01 0.00 -0.15 0.00 0.00 58.65 58.83 3a8p h GLN 674 Cb 0.46 -0.18 -0.02 0.00 1.07 0.00 0.00 27.48 28.81 3a8p h GLN 674 CO -0.30 0.53 0.20 0.82 -2.65 0.00 0.00 178.83 177.43 3a8p h ILE 675 N 0.83 1.15 -0.48 2.39 2.04 0.31 0.25 117.51 124.00 3a8p h ILE 675 Ca 0.24 -0.41 0.07 0.00 1.00 0.00 0.00 64.86 65.76 3a8p h ILE 675 Cb -0.06 0.74 -0.06 0.00 -0.74 0.00 0.00 36.82 36.70 3a8p h ILE 675 CO -0.07 0.16 0.12 -0.09 0.00 0.00 0.00 178.15 178.28 3a8p h ARG 676 N 0.47 0.26 -0.72 2.37 9.65 -0.47 -0.35 114.38 125.59 3a8p h ARG 676 Ca 0.13 -0.02 -0.04 0.00 -1.10 0.00 0.00 59.98 58.95 3a8p h ARG 676 Cb 0.08 -0.06 -0.03 0.00 -1.39 0.00 0.00 29.97 28.57 3a8p h ARG 676 CO -0.02 0.17 0.28 0.37 2.80 0.00 0.00 179.97 183.57 3a8p h GLN 677 N 0.27 1.08 -0.38 0.20 5.75 -0.56 -2.61 115.11 118.86 3a8p h GLN 677 Ca 0.24 -0.20 -0.03 0.00 -0.15 0.00 0.00 58.65 58.51 3a8p h GLN 677 Cb 0.29 -0.17 -0.02 0.00 1.07 0.00 0.00 27.48 28.65 3a8p h GLN 677 CO -0.28 0.90 0.13 -1.49 -2.65 0.00 0.00 178.83 175.43 3a8p h TRP 678 N 1.03 0.61 -0.60 3.99 6.55 -0.10 -1.25 115.95 126.17 3a8p h TRP 678 Ca 0.24 -0.06 0.09 0.00 0.95 0.00 0.00 58.89 60.11 3a8p h TRP 678 Cb 0.23 -0.18 -0.07 0.00 -0.86 0.00 0.00 29.16 28.28 3a8p h TRP 678 CO 0.02 0.57 0.24 0.93 -1.05 0.00 0.00 178.44 179.15 3a8p h GLU 679 N 0.47 0.43 -0.59 0.49 5.08 -0.89 0.18 114.58 119.75 3a8p h GLU 679 Ca 0.12 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.40 3a8p h GLU 679 Cb 0.24 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 3a8p h GLU 679 CO -0.01 0.28 0.14 0.37 -1.00 0.00 0.00 179.01 178.80 3a8p h GLN 680 N 0.44 0.95 -0.87 2.33 4.15 -1.26 -0.91 115.11 119.94 3a8p h GLN 680 Ca 0.30 -0.23 -0.02 0.00 0.77 0.00 0.00 58.65 59.47 3a8p h GLN 680 Cb 0.34 -0.12 -0.04 0.00 0.21 0.00 0.00 27.48 27.87 3a8p h GLN 680 CO -0.28 0.88 0.46 -0.91 -1.93 0.00 0.00 178.83 177.04 3a8p h ASN 681 N 0.86 1.11 -0.06 -0.69 2.35 -0.31 -2.58 115.58 116.26 3a8p h ASN 681 Ca 0.19 -0.11 -0.08 0.00 -0.55 0.00 0.00 56.30 55.74 3a8p h ASN 681 Cb 0.36 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.43 3a8p h ASN 681 CO 0.00 0.90 -0.21 -0.07 -1.65 0.00 0.00 177.43 176.41 3a8p h LEU 682 N 1.23 0.44 -0.08 1.61 3.38 -0.19 -0.59 115.31 121.11 3a8p h LEU 682 Ca 0.31 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 58.14 3a8p h LEU 682 Cb 0.06 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 3a8p h LEU 682 CO -0.05 0.66 0.04 -0.33 0.09 0.00 0.00 178.44 178.85 3a8p h GLU 683 N 0.40 0.11 -0.02 1.13 5.08 -0.79 0.84 114.58 121.34 3a8p h GLU 683 Ca 0.07 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3a8p h GLU 683 Cb 0.59 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.82 3a8p h GLU 683 CO 0.04 0.20 0.01 -0.22 -1.00 0.00 0.00 179.01 178.04 3a8p h LYS 684 N -0.00 0.02 -0.66 2.33 1.63 -1.27 0.43 116.57 119.05 3a8p h LYS 684 Ca 0.03 -0.00 0.02 0.00 -0.85 0.00 0.00 60.65 59.84 3a8p h LYS 684 Cb 0.12 -0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 31.71 3a8p h LYS 684 CO -0.00 0.01 0.42 0.74 -3.45 0.00 0.00 179.45 177.17 3a8p h PHE 685 N 0.02 0.80 -0.22 1.91 0.04 -0.96 -1.10 116.94 117.43 3a8p h PHE 685 Ca 0.01 0.02 -0.09 0.00 2.80 0.00 0.00 57.97 60.71 3a8p h PHE 685 Cb -0.00 -0.26 -0.01 0.00 2.20 0.00 0.00 35.95 37.87 3a8p h PHE 685 CO -0.08 0.48 -0.25 0.45 -0.60 0.00 0.00 178.31 178.31 3a8p h HIS 686 N 0.84 0.45 -0.09 -0.55 3.86 -0.59 -1.28 115.15 117.79 3a8p h HIS 686 Ca 0.26 -0.09 -0.02 0.00 -1.16 0.00 0.00 60.37 59.36 3a8p h HIS 686 Cb -0.03 -0.11 -0.00 0.00 1.06 0.00 0.00 27.41 28.32 3a8p h HIS 686 CO -0.04 0.63 -0.01 1.98 0.86 0.00 0.00 177.93 181.35 3a8p h MET 687 N 0.36 0.16 -0.85 2.45 1.85 -0.32 -1.18 114.93 117.39 3a8p h MET 687 Ca 0.05 -0.06 -0.02 0.00 -0.61 0.00 0.00 59.70 59.07 3a8p h MET 687 Cb 0.64 -0.01 -0.04 0.00 0.43 0.00 0.00 31.60 32.62 3a8p h MET 687 CO 0.05 0.45 0.46 -0.44 -0.40 0.00 0.00 176.91 177.03 3a8p h ASP 688 N -0.14 1.07 -0.61 1.39 3.32 -1.12 -1.64 116.42 118.70 3a8p h ASP 688 Ca 0.02 -0.10 -0.00 0.00 0.02 0.00 0.00 57.03 56.97 3a8p h ASP 688 Cb 0.38 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.63 3a8p h ASP 688 CO 0.01 0.87 0.37 0.25 -1.72 0.00 0.00 179.24 179.02 3a8p h LEU 689 N 1.19 0.73 -0.52 1.55 5.85 -1.11 -0.72 115.31 122.29 3a8p h LEU 689 Ca 0.30 -0.05 -0.05 0.00 0.84 0.00 0.00 57.88 58.92 3a8p h LEU 689 Cb 0.04 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 40.86 3a8p h LEU 689 CO -0.05 0.57 0.13 0.15 -0.34 0.00 0.00 178.44 178.90 3a8p h PHE 690 N 0.83 0.86 -0.36 1.25 3.57 -0.88 -0.85 116.94 121.36 3a8p h PHE 690 Ca 0.22 -0.10 -0.01 0.00 3.53 0.00 0.00 57.97 61.60 3a8p h PHE 690 Cb -0.03 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 38.45 3a8p h PHE 690 CO -0.02 0.76 0.17 -0.09 -2.23 0.00 0.00 178.31 176.90 3a8p h ARG 691 N 0.72 0.52 -0.70 1.11 2.43 -1.03 0.15 114.38 117.57 3a8p h ARG 691 Ca 0.16 -0.08 0.02 0.00 -0.81 0.00 0.00 59.98 59.28 3a8p h ARG 691 Cb 0.33 -0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 29.75 3a8p h ARG 691 CO 0.00 0.47 0.45 0.52 -1.51 0.00 0.00 179.97 179.90 3a8p h MET 692 N 0.44 0.86 -0.51 0.20 2.86 -0.91 -0.99 114.93 116.88 3a8p h MET 692 Ca 0.12 -0.05 -0.07 0.00 -2.06 0.00 0.00 59.70 57.64 3a8p h MET 692 Cb 0.12 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 31.56 3a8p h MET 692 CO -0.02 0.57 0.05 0.00 1.06 0.00 0.00 176.91 178.57 3a8p h ARG 693 N 0.89 0.83 -0.25 1.72 3.08 -0.79 0.11 114.38 119.97 3a8p h ARG 693 Ca 0.27 -0.21 -0.01 0.00 0.07 0.00 0.00 59.98 60.11 3a8p h ARG 693 Cb -0.02 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 29.91 3a8p h ARG 693 CO -0.09 0.80 0.11 0.00 -1.07 0.00 0.00 179.97 179.73 3a8p h TYR 695 N 0.26 0.69 -0.16 0.00 -1.99 -0.86 -0.07 116.97 114.84 3a8p h TYR 695 Ca 0.08 -0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.78 3a8p h TYR 695 Cb 0.13 -0.21 -0.01 0.00 2.00 0.00 0.00 36.73 38.64 3a8p h TYR 695 CO -0.02 0.55 0.10 1.25 -0.00 0.00 0.00 178.16 180.04 3a8p h LEU 696 N 0.63 0.17 -0.37 3.88 5.85 -0.53 -1.30 115.31 123.65 3a8p h LEU 696 Ca 0.17 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.87 3a8p h LEU 696 Cb 0.11 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 3a8p h LEU 696 CO -0.02 0.13 0.18 0.00 -0.34 0.00 0.00 178.44 178.38 3a8p h ALA 697 N 1.06 0.47 -0.15 1.25 0.00 -0.34 -1.47 119.26 120.08 3a8p h ALA 697 Ca 0.06 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 3a8p h ALA 697 Cb -0.02 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3a8p h ALA 697 CO -0.02 0.03 -0.10 0.77 0.00 0.00 0.00 179.25 179.94 3a8p h SER 698 N 0.46 0.22 1.26 0.00 0.02 -0.82 0.12 113.55 114.80 3a8p h SER 698 Ca 0.13 -0.04 -0.15 0.00 -0.84 0.00 0.00 61.79 60.88 3a8p h SER 698 Cb 0.12 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 62.58 3a8p h SER 698 CO -0.02 0.35 -0.72 -0.07 -1.14 0.00 0.00 176.83 175.23 3a8p h LEU 699 N 0.23 0.00 -2.87 5.07 3.38 -0.95 -3.32 115.31 116.85 3a8p h LEU 699 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3a8p h LEU 699 Cb 0.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.07 3a8p h LEU 699 CO 0.02 0.72 0.00 0.00 0.09 0.00 0.00 178.44 179.27 3a8p n GLN 700 N -3.29 2.86 -1.66 1.13 6.02 -0.58 -4.97 117.38 116.89 3a8p n GLN 700 Ca 0.01 -2.25 -0.16 0.00 -0.01 0.00 0.00 57.00 54.59 3a8p n GLN 700 Cb 0.82 -1.38 -0.06 0.00 1.02 0.00 0.00 30.24 30.65 3a8p n GLN 700 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3a8p n GLY 701 N 0.79 1.21 3.98 1.08 0.00 0.22 -5.00 105.19 107.47 3a8p n GLY 701 Ca 0.15 -0.23 -0.25 0.00 0.00 0.00 0.00 46.02 45.70 3a8p n GLY 701 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3a8p s GLY 702 N -2.70 1.76 0.34 -0.02 0.00 -0.14 -5.01 107.32 101.55 3a8p s GLY 702 Ca 0.00 -1.57 -0.27 0.00 0.00 0.00 0.00 44.72 42.88 3a8p s GLY 702 CO 0.00 -0.98 1.14 -0.54 0.00 0.00 0.00 173.10 172.73 3a8p s GLU 703 N -5.28 4.35 0.50 2.90 0.41 -1.26 -4.59 118.70 115.73 3a8p s GLU 703 Ca 0.67 1.84 -0.21 0.00 -0.41 0.00 0.00 54.97 56.86 3a8p s GLU 703 Cb -0.06 -2.93 -0.07 0.00 -1.78 0.00 0.00 34.13 29.30 3a8p s GLU 703 CO 0.46 -0.06 1.11 -0.51 -0.49 0.00 0.00 175.26 175.77 3a8p s LEU 704 N -1.98 3.87 0.63 1.80 2.01 -1.26 -4.78 118.68 118.96 3a8p s LEU 704 Ca 0.51 2.14 -0.18 0.00 0.01 0.00 0.00 54.13 56.61 3a8p s LEU 704 Cb -0.31 -4.46 -0.03 0.00 0.01 0.00 0.00 46.19 41.40 3a8p s LEU 704 CO 0.40 -0.98 1.17 -0.81 1.01 0.00 0.00 176.35 177.14 3a8p n PRO 705 N -0.92 1.04 -2.01 1.29 -0.04 -1.26 -4.89 135.00 128.21 3a8p n PRO 705 Ca 0.09 0.41 -0.42 0.00 -0.04 0.00 0.00 63.50 63.54 3a8p n PRO 705 Cb 0.50 -2.39 -0.03 0.00 -0.04 0.00 0.00 33.50 31.54 3a8p n PRO 705 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 3a8p s ASN 706 N -1.32 6.54 0.50 3.54 3.84 -1.26 -4.91 114.94 121.87 3a8p s ASN 706 Ca 0.80 2.08 0.18 0.00 0.21 0.00 0.00 52.86 56.14 3a8p s ASN 706 Cb -0.39 -2.53 1.24 0.00 -0.55 0.00 0.00 41.25 39.02 3a8p s ASN 706 CO 0.43 -1.05 2.08 1.55 -2.79 0.00 0.00 177.10 177.32 3a8p h PRO 707 N 10.07 0.00 -0.28 0.43 0.13 -2.02 -2.61 132.00 137.72 3a8p h PRO 707 Ca -0.38 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.71 3a8p h PRO 707 Cb 1.18 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.29 3a8p h PRO 707 CO 0.97 0.10 0.00 0.87 -0.23 0.00 0.00 178.00 179.71 3a8p h LYS 708 N 0.00 0.42 -0.54 0.86 1.79 -1.99 -2.36 116.57 114.75 3a8p h LYS 708 Ca -0.00 -0.08 -0.11 0.00 -2.18 0.00 0.00 60.65 58.28 3a8p h LYS 708 Cb 0.19 -0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 30.75 3a8p h LYS 708 CO 0.01 0.45 -0.11 0.77 -1.08 0.00 0.00 179.45 179.49 3a8p h SER 709 N 0.41 1.04 -0.31 0.86 0.02 -1.87 -2.39 113.55 111.31 3a8p h SER 709 Ca 0.09 -0.35 -0.05 0.00 -0.84 0.00 0.00 61.79 60.64 3a8p h SER 709 Cb 0.27 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.52 3a8p h SER 709 CO 0.01 1.14 0.01 0.25 -1.14 0.00 0.00 176.83 177.10 3a8p h LEU 710 N 0.91 0.52 -2.61 5.07 5.85 -1.57 -2.86 115.31 120.62 3a8p h LEU 710 Ca 0.14 -0.30 0.00 0.00 0.84 0.00 0.00 57.88 58.56 3a8p h LEU 710 Cb 0.68 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.57 3a8p h LEU 710 CO 0.05 0.69 0.00 -0.07 -0.34 0.00 0.00 178.44 178.77 3a8p h LEU 711 N 0.33 0.00 -1.78 2.25 3.38 -1.30 -0.26 115.31 117.93 3a8p h LEU 711 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3a8p h LEU 711 Cb 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 3a8p h LEU 711 CO 0.01 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.54 3a8p h ALA 712 N 2.00 1.00 -0.00 1.53 0.00 -1.18 -2.35 119.26 120.26 3a8p h ALA 712 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3a8p h ALA 712 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3a8p h ALA 712 CO 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 179.25 178.92 3a8p n ALA 713 N -2.06 3.19 -1.88 0.00 0.00 -0.11 -4.87 120.51 114.78 3a8p n ALA 713 Ca -0.00 -0.33 -0.42 0.00 0.00 0.00 0.00 53.44 52.69 3a8p n ALA 713 Cb 0.24 -1.19 -0.03 0.00 0.00 0.00 0.00 19.45 18.47 3a8p n ALA 713 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3a8p s THR 714 N -2.80 3.37 0.97 0.00 2.01 -0.89 -4.58 115.64 113.72 3a8p s THR 714 Ca 0.17 0.43 -0.11 0.00 0.31 0.00 0.00 61.69 62.49 3a8p s THR 714 Cb 0.18 -3.32 0.17 0.00 0.01 0.00 0.00 72.50 69.55 3a8p s THR 714 CO 0.60 -0.08 1.09 -0.94 -0.69 0.00 0.00 174.62 174.60 3a8p s SER 715 N 4.41 2.65 0.14 3.53 1.04 -1.26 -4.77 113.70 119.44 3a8p s SER 715 Ca 0.81 1.76 -0.15 0.00 0.48 0.00 0.00 55.95 58.85 3a8p s SER 715 Cb -0.34 -2.37 0.00 0.00 0.10 0.00 0.00 66.02 63.41 3a8p s SER 715 CO 0.34 -3.20 1.67 -0.09 0.98 0.00 0.00 173.24 172.94 3a8p h ARG 716 N -1.94 0.64 -0.16 4.02 2.43 -1.99 -0.85 114.38 116.53 3a8p h ARG 716 Ca -0.50 -0.12 0.02 0.00 -0.81 0.00 0.00 59.98 58.56 3a8p h ARG 716 Cb 1.29 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 30.72 3a8p h ARG 716 CO 0.49 0.61 0.04 -1.35 -1.51 0.00 0.00 179.97 178.25 3a8p h PRO 717 N 0.53 0.11 -0.53 0.20 0.11 -1.99 -0.04 132.00 130.39 3a8p h PRO 717 Ca 0.14 -0.01 0.05 0.00 0.11 0.00 0.00 66.00 66.29 3a8p h PRO 717 Cb 0.22 -0.03 -0.05 0.00 0.11 0.00 0.00 31.00 31.26 3a8p h PRO 717 CO -0.01 0.07 0.27 0.77 -0.21 0.00 0.00 178.00 178.90 3a8p h SER 718 N 0.12 0.39 -0.39 -2.05 0.02 -1.90 0.61 113.55 110.34 3a8p h SER 718 Ca 0.07 0.03 0.05 0.00 -0.84 0.00 0.00 61.79 61.11 3a8p h SER 718 Cb 0.05 -0.04 -0.05 0.00 0.14 0.00 0.00 62.40 62.50 3a8p h SER 718 CO -0.08 0.26 0.10 0.50 -1.14 0.00 0.00 176.83 176.47 3a8p h LYS 719 N 0.52 0.24 -0.36 3.45 3.64 -0.62 -0.72 116.57 122.71 3a8p h LYS 719 Ca 0.24 -0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.52 3a8p h LYS 719 Cb 0.15 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.90 3a8p h LYS 719 CO -0.17 0.16 -0.11 -0.07 -2.27 0.00 0.00 179.45 176.99 3a8p h LEU 720 N 0.24 0.62 -0.94 5.20 3.38 -0.34 -2.39 115.31 121.08 3a8p h LEU 720 Ca 0.19 -0.17 -0.07 0.00 0.09 0.00 0.00 57.88 57.92 3a8p h LEU 720 Cb 0.20 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 3a8p h LEU 720 CO -0.22 0.77 0.04 0.00 0.09 0.00 0.00 178.44 179.12 3a8p h ALA 721 N 1.30 1.13 0.00 1.53 0.00 0.02 -2.60 119.26 120.63 3a8p h ALA 721 Ca 0.10 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3a8p h ALA 721 Cb 0.54 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3a8p h ALA 721 CO 0.03 0.57 -0.10 1.28 0.00 0.00 0.00 179.25 181.03 3a8p n LEU 722 N -4.23 0.23 -0.25 0.00 4.77 -0.36 -3.93 117.00 113.23 3a8p n LEU 722 Ca 0.03 0.43 0.02 0.00 -0.03 0.00 0.00 56.01 56.46 3a8p n LEU 722 Cb 0.28 -0.42 0.25 0.00 -2.33 0.00 0.00 43.42 41.20 3a8p n LEU 722 CO 0.41 -0.01 1.24 1.23 -1.33 0.00 0.00 177.39 178.93 3a8p h GLY 723 N 4.91 1.14 1.99 -0.72 0.00 -1.02 -1.18 103.07 108.19 3a8p h GLY 723 Ca 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 47.33 46.93 3a8p h GLY 723 CO 0.00 0.35 0.00 -0.96 0.00 0.00 0.00 176.54 175.93 3a8p n ARG 724 N -4.44 0.01 0.01 4.80 1.85 -1.25 -2.30 116.66 115.33 3a8p n ARG 724 Ca 0.10 0.14 0.11 0.00 -1.00 0.00 0.00 57.85 57.21 3a8p n ARG 724 Cb 0.10 -1.50 0.10 0.00 -1.05 0.00 0.00 32.46 30.11 3a8p n ARG 724 CO 0.00 0.00 0.00 -0.11 -0.01 0.00 0.00 177.63 177.51 3a8p n LEU 725 N -1.50 0.64 0.00 2.89 0.00 -0.46 -4.96 117.00 113.62 3a8p n LEU 725 Ca 0.05 -0.07 0.00 0.00 0.00 0.00 0.00 56.01 55.99 3a8p n LEU 725 Cb 0.24 -0.15 0.00 0.00 0.00 0.00 0.00 43.42 43.51 3a8p n LEU 725 CO 0.19 0.10 0.00 0.61 0.00 0.00 0.00 177.39 178.29 3a8p n GLY 726 N 1.44 0.60 3.77 -3.96 0.00 -0.97 -4.96 105.19 101.10 3a8p n GLY 726 Ca 0.04 -2.22 -0.41 0.00 0.00 0.00 0.00 46.02 43.43 3a8p n GLY 726 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3a8p s VAL 727 N -0.49 2.38 0.20 1.61 0.11 -1.26 -4.32 120.40 118.64 3a8p s VAL 727 Ca 0.00 0.38 -0.31 0.00 -2.93 0.00 0.00 61.98 59.12 3a8p s VAL 727 Cb 0.00 -3.24 -0.10 0.00 -1.53 0.00 0.00 36.38 31.51 3a8p s VAL 727 CO 0.00 0.09 1.53 -0.22 -3.33 0.00 0.00 175.10 173.16 3a8p s LEU 728 N -1.81 4.37 0.15 2.54 1.98 -1.26 -4.95 118.68 119.70 3a8p s LEU 728 Ca 0.52 2.66 -0.04 0.00 -2.89 0.00 0.00 54.13 54.38 3a8p s LEU 728 Cb -0.43 -3.61 -0.03 0.00 0.66 0.00 0.00 46.19 42.78 3a8p s LEU 728 CO 0.57 -0.79 0.14 -0.94 -1.89 0.00 0.00 176.35 173.44 3a8p s SER 729 N 0.82 0.21 0.20 3.68 1.04 -1.26 -5.03 113.70 113.35 3a8p s SER 729 Ca 0.66 -1.12 -0.10 0.00 0.48 0.00 0.00 55.95 55.87 3a8p s SER 729 Cb -0.43 0.35 0.15 0.00 0.10 0.00 0.00 66.02 66.18 3a8p s SER 729 CO 0.37 -0.80 1.85 0.58 0.98 0.00 0.00 173.24 176.22 3a8p h VAL 730 N 2.73 1.21 -0.56 5.02 2.07 -1.94 -1.18 116.25 123.60 3a8p h VAL 730 Ca -0.34 -0.45 0.01 0.00 0.82 0.00 0.00 66.70 66.74 3a8p h VAL 730 Cb 1.21 0.17 -0.03 0.00 -1.52 0.00 0.00 31.29 31.13 3a8p h VAL 730 CO 0.55 0.21 0.37 0.28 0.02 0.00 0.00 177.57 179.00 3a8p h SER 731 N 1.01 0.64 0.38 0.57 0.02 -1.96 0.10 113.55 114.32 3a8p h SER 731 Ca 0.27 -0.02 -0.18 0.00 -0.84 0.00 0.00 61.79 61.02 3a8p h SER 731 Cb -0.05 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.32 3a8p h SER 731 CO -0.05 0.47 -0.74 0.77 -1.14 0.00 0.00 176.83 176.14 3a8p h SER 732 N 0.76 0.35 -0.29 3.07 4.64 -1.88 -2.44 113.55 117.77 3a8p h SER 732 Ca 0.21 -0.24 -0.09 0.00 -0.47 0.00 0.00 61.79 61.20 3a8p h SER 732 Cb -0.09 -0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 61.88 3a8p h SER 732 CO -0.04 0.97 -0.11 0.15 -0.87 0.00 0.00 176.83 176.93 3a8p h PHE 733 N 0.20 0.76 -0.28 4.77 3.57 -0.90 -1.38 116.94 123.68 3a8p h PHE 733 Ca -0.03 -0.13 -0.03 0.00 3.53 0.00 0.00 57.97 61.32 3a8p h PHE 733 Cb 1.30 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.83 3a8p h PHE 733 CO 0.03 0.77 0.07 1.25 -2.23 0.00 0.00 178.31 178.21 3a8p h HIS 734 N 0.64 0.47 -0.99 0.41 2.76 -0.66 -1.61 115.15 116.16 3a8p h HIS 734 Ca 0.11 -0.05 0.06 0.00 -2.20 0.00 0.00 60.37 58.29 3a8p h HIS 734 Cb 0.55 -0.13 -0.07 0.00 1.55 0.00 0.00 27.41 29.31 3a8p h HIS 734 CO 0.03 0.52 0.64 0.00 -1.30 0.00 0.00 177.93 177.81 3a8p h ALA 735 N 0.90 1.37 0.06 5.26 0.00 -1.04 -0.43 119.26 125.38 3a8p h ALA 735 Ca 0.09 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 3a8p h ALA 735 Cb 0.28 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3a8p h ALA 735 CO 0.00 0.45 -0.03 1.25 0.00 0.00 0.00 179.25 180.93 3a8p h LEU 736 N 1.18 -0.07 -1.27 0.00 5.85 -0.90 -0.58 115.31 119.52 3a8p h LEU 736 Ca 0.42 -0.20 0.02 0.00 0.84 0.00 0.00 57.88 58.96 3a8p h LEU 736 Cb 0.13 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.14 3a8p h LEU 736 CO -0.16 0.17 0.50 0.58 -0.34 0.00 0.00 178.44 179.18 3a8p h VAL 737 N -0.30 1.16 -0.43 1.05 2.07 -0.96 -2.14 116.25 116.69 3a8p h VAL 737 Ca -0.01 -0.34 -0.07 0.00 0.82 0.00 0.00 66.70 67.11 3a8p h VAL 737 Cb 0.27 0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.12 3a8p h VAL 737 CO 0.01 0.18 -0.00 0.00 0.02 0.00 0.00 177.57 177.78 3a8p n SER 739 N -4.40 0.00 -0.10 0.00 3.41 -0.24 -1.16 113.62 111.13 3a8p n SER 739 Ca -0.00 0.24 -0.10 0.00 -0.26 0.00 0.00 58.87 58.74 3a8p n SER 739 Cb 0.30 -0.26 -0.15 0.00 -0.26 0.00 0.00 64.21 63.85 3a8p n SER 739 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3a8p n ARG 740 N -1.26 0.87 -1.83 4.33 1.74 -1.05 -4.86 116.66 114.60 3a8p n ARG 740 Ca 0.01 0.01 -0.32 0.00 -0.77 0.00 0.00 57.85 56.77 3a8p n ARG 740 Cb 0.01 -1.49 -0.04 0.00 -1.02 0.00 0.00 32.46 29.92 3a8p n ARG 740 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3a8p s ASP 741 N -5.45 4.79 0.00 0.55 3.68 -0.31 -5.15 116.67 114.77 3a8p s ASP 741 Ca -0.12 0.34 0.04 0.00 2.13 0.00 0.00 52.55 54.94 3a8p s ASP 741 Cb 0.06 -2.53 0.22 0.00 -1.45 0.00 0.00 42.92 39.22 3a8p s ASP 741 CO 0.75 -2.82 0.70 -0.90 0.13 0.00 0.00 175.17 173.03