#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 5.05 0.01 2.52 1.01 -1.26 -3.95 120.40 123.78 3a8p s VAL 505 Ca 0.00 1.11 -0.00 0.00 0.00 0.00 0.00 61.98 63.08 3a8p s VAL 505 Cb 0.00 -3.91 -0.26 0.00 0.00 0.00 0.00 36.38 32.21 3a8p s VAL 505 CO 0.00 0.14 0.88 -0.09 0.00 0.00 0.00 175.10 176.03 3a8p h ARG 506 N 7.45 0.20 -2.29 2.72 2.43 -0.66 -3.48 114.38 120.75 3a8p h ARG 506 Ca -0.33 -0.34 0.00 0.00 -0.81 0.00 0.00 59.98 58.51 3a8p h ARG 506 Cb 1.15 0.13 -0.17 0.00 -0.42 0.00 0.00 29.97 30.66 3a8p h ARG 506 CO 0.76 1.04 0.30 0.21 -1.51 0.00 0.00 179.97 180.77 3a8p s LYS 507 N -2.63 1.02 -0.07 0.20 2.20 -1.23 -5.00 119.74 114.23 3a8p s LYS 507 Ca -0.07 -0.07 -0.21 0.00 -0.36 0.00 0.00 55.97 55.26 3a8p s LYS 507 Cb 0.07 0.48 0.04 0.00 -1.51 0.00 0.00 37.83 36.91 3a8p s LYS 507 CO 0.85 -0.38 0.48 0.00 -0.36 0.00 0.00 175.35 175.93 3a8p s ALA 508 N -2.27 -1.21 0.00 3.13 0.00 -1.26 -0.35 121.76 119.80 3a8p s ALA 508 Ca -0.03 0.93 0.00 0.00 0.00 0.00 0.00 51.96 52.86 3a8p s ALA 508 Cb -0.01 -0.19 0.00 0.00 0.00 0.00 0.00 23.12 22.92 3a8p s ALA 508 CO -0.01 -0.29 0.00 0.41 0.00 0.00 0.00 175.76 175.87 3a8p n GLY 509 N 1.58 1.79 3.76 0.00 0.00 0.01 -4.98 105.19 107.35 3a8p n GLY 509 Ca -0.19 -0.87 -0.41 0.00 0.00 0.00 0.00 46.02 44.56 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 3.25 -0.13 1.61 0.52 -1.26 -1.10 118.94 119.83 3a8p s TRP 510 Ca 0.00 1.47 -0.11 0.00 0.02 0.00 0.00 56.10 57.47 3a8p s TRP 510 Cb 0.00 -3.54 0.04 0.00 -1.15 0.00 0.00 33.47 28.81 3a8p s TRP 510 CO 0.00 -1.46 0.34 -0.51 0.02 0.00 0.00 176.95 175.34 3a8p s LEU 511 N -1.36 0.64 0.08 2.99 1.43 -0.18 -4.60 118.68 117.68 3a8p s LEU 511 Ca 0.49 0.69 -0.21 0.00 -1.03 0.00 0.00 54.13 54.07 3a8p s LEU 511 Cb -0.37 1.16 -0.07 0.00 0.03 0.00 0.00 46.19 46.95 3a8p s LEU 511 CO 0.46 -0.12 0.61 -0.36 0.23 0.00 0.00 176.35 177.18 3a8p s PHE 512 N 0.29 3.82 0.03 0.29 0.08 -1.07 -0.83 117.98 120.59 3a8p s PHE 512 Ca -0.01 1.34 0.05 0.00 0.12 0.00 0.00 56.93 58.44 3a8p s PHE 512 Cb -0.03 -2.56 -0.02 0.00 -0.57 0.00 0.00 43.02 39.84 3a8p s PHE 512 CO -0.01 0.55 -0.16 0.12 -0.10 0.00 0.00 175.22 175.63 3a8p s PHE 513 N -1.03 1.36 -0.26 0.36 5.36 0.16 -1.14 117.98 122.80 3a8p s PHE 513 Ca 0.31 -0.34 -0.07 0.00 -0.96 0.00 0.00 56.93 55.87 3a8p s PHE 513 Cb -0.20 -0.82 0.12 0.00 -0.34 0.00 0.00 43.02 41.78 3a8p s PHE 513 CO 0.20 0.04 0.53 0.21 -1.46 0.00 0.00 175.22 174.74 3a8p s LYS 514 N -1.00 0.46 0.32 10.12 2.20 -0.54 -1.53 119.74 129.78 3a8p s LYS 514 Ca 0.04 1.15 -0.28 0.00 -0.36 0.00 0.00 55.97 56.52 3a8p s LYS 514 Cb -0.08 0.50 -0.10 0.00 -1.51 0.00 0.00 37.83 36.65 3a8p s LYS 514 CO 0.01 -0.32 1.19 -1.25 -0.36 0.00 0.00 175.35 174.62 3a8p s PRO 515 N 2.76 4.41 -0.03 4.03 0.04 -1.26 -0.39 135.00 144.56 3a8p s PRO 515 Ca 0.01 1.96 -0.01 0.00 0.04 0.00 0.00 61.00 63.00 3a8p s PRO 515 Cb -0.13 -3.04 -0.01 0.00 0.04 0.00 0.00 34.50 31.36 3a8p s PRO 515 CO -0.17 -0.04 -0.04 -0.11 0.04 0.00 0.00 177.00 176.68 3a8p n LEU 516 N 0.81 0.74 -4.08 -3.56 7.94 -0.48 -4.75 117.00 113.60 3a8p n LEU 516 Ca 0.00 0.03 -0.17 0.00 -1.11 0.00 0.00 56.01 54.76 3a8p n LEU 516 Cb 0.44 -0.09 -0.13 0.00 0.53 0.00 0.00 43.42 44.17 3a8p n LEU 516 CO 0.55 0.16 -0.43 -0.69 -1.11 0.00 0.00 177.39 175.86 3a8p s VAL 517 N -2.06 0.80 0.04 1.96 1.01 -0.96 -1.53 120.40 119.66 3a8p s VAL 517 Ca -0.04 -0.90 -0.04 0.00 0.00 0.00 0.00 61.98 61.00 3a8p s VAL 517 Cb 0.02 -0.76 -0.02 0.00 0.00 0.00 0.00 36.38 35.62 3a8p s VAL 517 CO 0.06 -0.11 0.06 0.28 0.00 0.00 0.00 175.10 175.38 3a8p s THR 518 N -0.91 0.15 -0.45 3.92 -1.32 -0.65 -1.30 115.64 115.08 3a8p s THR 518 Ca -0.02 -1.20 -0.19 0.00 -1.21 0.00 0.00 61.69 59.07 3a8p s THR 518 Cb -0.08 -0.94 0.03 0.00 -1.51 0.00 0.00 72.50 70.01 3a8p s THR 518 CO 0.01 -0.66 0.55 -0.22 -2.21 0.00 0.00 174.62 172.08 3a8p s LEU 519 N -2.20 4.79 0.55 9.08 2.96 -1.25 -1.62 118.68 130.99 3a8p s LEU 519 Ca -0.04 -0.63 -0.03 0.00 -0.22 0.00 0.00 54.13 53.21 3a8p s LEU 519 Cb -0.00 -2.51 0.01 0.00 0.50 0.00 0.00 46.19 44.19 3a8p s LEU 519 CO -0.05 -0.72 0.82 -1.10 -1.32 0.00 0.00 176.35 173.98 3a8p s GLN 520 N 2.46 2.82 0.68 1.98 -1.52 -0.59 -4.91 119.66 120.58 3a8p s GLN 520 Ca 0.16 -0.31 -0.17 0.00 -1.95 0.00 0.00 55.36 53.09 3a8p s GLN 520 Cb -0.17 -2.39 -0.08 0.00 -0.22 0.00 0.00 33.01 30.16 3a8p s GLN 520 CO 0.15 -0.63 0.27 1.63 -0.25 0.00 0.00 175.29 176.46 3a8p n LYS 521 N -2.42 0.25 -0.58 2.91 4.76 -1.26 -0.31 118.16 121.51 3a8p n LYS 521 Ca 0.04 0.11 0.00 0.00 -2.87 0.00 0.00 58.31 55.59 3a8p n LYS 521 Cb 0.58 -1.56 0.00 0.00 -1.84 0.00 0.00 35.03 32.21 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 0.15 0.00 -2.46 1.97 2.13 -1.26 -3.90 120.64 117.27 3a8p n GLU 522 Ca 0.09 0.00 -0.19 0.00 0.66 0.00 0.00 57.16 57.71 3a8p n GLU 522 Cb 0.49 -1.85 -0.00 0.00 0.27 0.00 0.00 31.44 30.36 3a8p n GLU 522 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 3a8p n ARG 523 N -2.00 -2.03 -4.05 5.31 5.12 0.58 -5.00 116.66 114.60 3a8p n ARG 523 Ca 0.00 0.92 -0.36 0.00 -1.93 0.00 0.00 57.85 56.48 3a8p n ARG 523 Cb 0.00 -5.51 -0.07 0.00 -1.16 0.00 0.00 32.46 25.71 3a8p n ARG 523 CO 0.00 0.00 0.00 -1.59 -1.93 0.00 0.00 177.63 174.11 3a8p s LYS 524 N -5.07 3.28 0.44 5.56 0.00 -1.05 -4.85 119.74 118.06 3a8p s LYS 524 Ca 0.05 -0.23 -0.22 0.00 0.00 0.00 0.00 55.97 55.56 3a8p s LYS 524 Cb -0.02 -3.05 -0.09 0.00 0.00 0.00 0.00 37.83 34.67 3a8p s LYS 524 CO 0.06 0.75 1.05 -0.51 0.00 0.00 0.00 175.35 176.70 3a8p s LEU 525 N -1.00 4.02 -0.03 2.77 1.43 -1.26 -1.54 118.68 123.06 3a8p s LEU 525 Ca 0.15 2.02 -0.21 0.00 -1.03 0.00 0.00 54.13 55.06 3a8p s LEU 525 Cb -0.12 -4.34 0.04 0.00 0.03 0.00 0.00 46.19 41.81 3a8p s LEU 525 CO 0.04 -0.64 0.45 -1.83 0.23 0.00 0.00 176.35 174.60 3a8p s GLU 526 N -2.80 0.81 0.24 1.70 -1.05 -0.64 -4.91 118.70 112.04 3a8p s GLU 526 Ca 0.62 0.01 -0.30 0.00 -0.15 0.00 0.00 54.97 55.15 3a8p s GLU 526 Cb -0.20 0.37 -0.09 0.00 -0.44 0.00 0.00 34.13 33.76 3a8p s GLU 526 CO 0.25 -0.23 1.30 -0.51 0.95 0.00 0.00 175.26 177.02 3a8p s LEU 527 N -1.21 4.43 0.24 1.83 1.43 -1.26 -1.63 118.68 122.51 3a8p s LEU 527 Ca -0.12 2.46 -0.30 0.00 -1.03 0.00 0.00 54.13 55.14 3a8p s LEU 527 Cb -0.03 -3.62 -0.10 0.00 0.03 0.00 0.00 46.19 42.47 3a8p s LEU 527 CO 0.06 -0.50 1.41 -0.69 0.23 0.00 0.00 176.35 176.86 3a8p s VAL 528 N -0.27 2.77 0.14 -1.59 1.01 -0.58 -4.88 120.40 117.00 3a8p s VAL 528 Ca 0.54 0.65 -0.17 0.00 0.00 0.00 0.00 61.98 63.00 3a8p s VAL 528 Cb -0.37 -3.41 -0.07 0.00 0.00 0.00 0.00 36.38 32.53 3a8p s VAL 528 CO 0.42 0.10 0.58 0.00 0.00 0.00 0.00 175.10 176.20 3a8p s ALA 529 N -0.02 3.56 -1.20 5.51 0.00 -1.26 -4.05 121.76 124.29 3a8p s ALA 529 Ca 0.58 -0.04 0.00 0.00 0.00 0.00 0.00 51.96 52.51 3a8p s ALA 529 Cb -0.41 -2.60 0.00 0.00 0.00 0.00 0.00 23.12 20.11 3a8p s ALA 529 CO 0.43 0.42 0.00 -2.13 0.00 0.00 0.00 175.76 174.47 3a8p n ARG 530 N 1.05 -0.86 -2.27 0.00 0.00 -1.26 -4.98 116.66 108.34 3a8p n ARG 530 Ca -0.06 0.83 -0.41 0.00 -0.00 0.00 0.00 57.85 58.21 3a8p n ARG 530 Cb 0.51 -4.88 -0.03 0.00 0.00 0.00 0.00 32.46 28.06 3a8p n ARG 530 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.63 176.65 3a8p s ARG 531 N -3.42 4.43 0.12 -0.14 1.70 -1.26 -5.03 118.95 115.36 3a8p s ARG 531 Ca 0.00 2.00 -0.12 0.00 -0.47 0.00 0.00 55.73 57.14 3a8p s ARG 531 Cb 0.00 -3.19 0.01 0.00 -0.57 0.00 0.00 34.95 31.20 3a8p s ARG 531 CO 0.00 -0.17 0.31 -1.59 -1.08 0.00 0.00 175.30 172.77 3a8p s LYS 532 N -0.39 1.01 -0.13 3.89 -2.85 -1.26 -5.05 119.74 114.96 3a8p s LYS 532 Ca 0.54 -0.89 -0.29 0.00 -1.00 0.00 0.00 55.97 54.33 3a8p s LYS 532 Cb -0.35 0.41 -0.01 0.00 -2.06 0.00 0.00 37.83 35.82 3a8p s LYS 532 CO 0.39 -0.37 1.03 -1.58 0.10 0.00 0.00 175.35 174.93 3a8p s TRP 533 N -3.86 3.44 0.03 1.78 0.52 -1.26 -4.50 118.94 115.09 3a8p s TRP 533 Ca 0.06 1.53 0.06 0.00 0.02 0.00 0.00 56.10 57.77 3a8p s TRP 533 Cb 0.03 -3.23 -0.02 0.00 -1.15 0.00 0.00 33.47 29.10 3a8p s TRP 533 CO -0.09 -0.39 -0.18 0.15 0.02 0.00 0.00 176.95 176.46 3a8p s LYS 534 N 2.35 1.29 -0.00 4.98 1.02 -0.58 -4.90 119.74 123.89 3a8p s LYS 534 Ca 0.48 -0.80 -0.10 0.00 0.02 0.00 0.00 55.97 55.56 3a8p s LYS 534 Cb -0.18 -1.34 -0.05 0.00 -0.52 0.00 0.00 37.83 35.74 3a8p s LYS 534 CO 0.15 0.35 0.32 -1.14 -0.92 0.00 0.00 175.35 174.11 3a8p s GLN 535 N -0.94 3.72 0.02 1.68 0.74 -1.26 0.39 119.66 124.01 3a8p s GLN 535 Ca 0.06 0.15 -0.08 0.00 0.05 0.00 0.00 55.36 55.54 3a8p s GLN 535 Cb -0.08 -3.13 0.00 0.00 1.10 0.00 0.00 33.01 30.90 3a8p s GLN 535 CO 0.01 0.67 0.15 0.71 -0.55 0.00 0.00 175.29 176.28 3a8p s TYR 536 N -1.19 0.07 -0.28 1.67 2.02 -0.01 -4.90 117.35 114.74 3a8p s TYR 536 Ca 0.25 -0.24 -0.22 0.00 -0.37 0.00 0.00 57.07 56.49 3a8p s TYR 536 Cb -0.14 -0.06 -0.01 0.00 -0.40 0.00 0.00 41.96 41.35 3a8p s TYR 536 CO 0.13 -0.35 0.69 -0.46 -1.57 0.00 0.00 175.55 174.00 3a8p s TRP 537 N -1.99 3.25 -0.01 2.71 -0.11 0.44 -1.01 118.94 122.22 3a8p s TRP 537 Ca -0.10 0.81 0.03 0.00 1.22 0.00 0.00 56.10 58.06 3a8p s TRP 537 Cb -0.04 -2.99 -0.03 0.00 -1.50 0.00 0.00 33.47 28.90 3a8p s TRP 537 CO -0.01 -0.43 -0.09 0.08 -4.62 0.00 0.00 176.95 171.88 3a8p s VAL 538 N 2.68 3.46 0.06 5.86 1.01 -0.26 -0.73 120.40 132.48 3a8p s VAL 538 Ca 0.29 -0.76 0.06 0.00 0.00 0.00 0.00 61.98 61.56 3a8p s VAL 538 Cb -0.15 -2.46 -0.03 0.00 0.00 0.00 0.00 36.38 33.74 3a8p s VAL 538 CO 0.10 0.46 -0.16 0.42 0.00 0.00 0.00 175.10 175.91 3a8p s THR 539 N -0.91 1.28 -0.27 3.92 -4.23 -0.56 -0.81 115.64 114.05 3a8p s THR 539 Ca 0.15 -1.19 -0.02 0.00 -1.18 0.00 0.00 61.69 59.44 3a8p s THR 539 Cb -0.11 -1.17 0.03 0.00 1.34 0.00 0.00 72.50 72.60 3a8p s THR 539 CO 0.05 -0.04 -0.02 -0.22 -0.54 0.00 0.00 174.62 173.85 3a8p s LEU 540 N -1.43 3.53 -0.19 4.79 2.96 0.53 -0.93 118.68 127.94 3a8p s LEU 540 Ca 0.02 -1.00 0.01 0.00 -0.22 0.00 0.00 54.13 52.94 3a8p s LEU 540 Cb -0.09 -1.71 0.04 0.00 0.50 0.00 0.00 46.19 44.93 3a8p s LEU 540 CO 0.02 -0.19 -0.11 -0.75 -1.32 0.00 0.00 176.35 174.01 3a8p s LYS 541 N 1.32 2.06 7.54 1.98 2.20 -0.57 0.16 119.74 134.43 3a8p s LYS 541 Ca -0.02 -0.77 0.00 0.00 -0.36 0.00 0.00 55.97 54.83 3a8p s LYS 541 Cb -0.18 -2.33 0.00 0.00 -1.51 0.00 0.00 37.83 33.81 3a8p s LYS 541 CO -0.02 -0.39 0.00 0.41 -0.36 0.00 0.00 175.35 174.99 3a8p n GLY 542 N 4.71 2.86 1.11 5.54 0.00 -1.25 -1.28 105.19 116.89 3a8p n GLY 542 Ca -0.15 -0.23 0.01 0.00 0.00 0.00 0.00 46.02 45.65 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 3.68 -0.31 0.00 2.01 -0.40 -0.43 115.64 117.16 3a8p s THR 544 Ca 0.44 -0.43 -0.12 0.00 0.31 0.00 0.00 61.69 61.89 3a8p s THR 544 Cb 0.38 -2.60 -0.03 0.00 0.01 0.00 0.00 72.50 70.26 3a8p s THR 544 CO 0.05 0.50 0.21 -0.76 -0.69 0.00 0.00 174.62 173.94 3a8p s LEU 545 N 0.32 4.26 -0.19 4.42 1.43 0.74 -1.51 118.68 128.16 3a8p s LEU 545 Ca -0.05 -0.28 -0.09 0.00 -1.03 0.00 0.00 54.13 52.68 3a8p s LEU 545 Cb -0.15 -2.11 -0.05 0.00 0.03 0.00 0.00 46.19 43.92 3a8p s LEU 545 CO 0.04 -0.16 0.10 -0.76 0.23 0.00 0.00 176.35 175.80 3a8p s LEU 546 N 1.72 4.04 -0.22 1.79 1.43 -0.10 0.06 118.68 127.39 3a8p s LEU 546 Ca 0.06 0.18 -0.07 0.00 -1.03 0.00 0.00 54.13 53.27 3a8p s LEU 546 Cb -0.17 -2.03 -0.03 0.00 0.03 0.00 0.00 46.19 43.99 3a8p s LEU 546 CO 0.10 0.19 0.06 -0.36 0.23 0.00 0.00 176.35 176.58 3a8p s PHE 547 N 0.27 3.13 -0.04 0.29 2.99 -0.08 -1.50 117.98 123.04 3a8p s PHE 547 Ca 0.06 -0.24 0.05 0.00 0.00 0.00 0.00 56.93 56.81 3a8p s PHE 547 Cb -0.12 -2.17 -0.02 0.00 0.00 0.00 0.00 43.02 40.71 3a8p s PHE 547 CO -0.01 -0.17 -0.20 0.71 -0.00 0.00 0.00 175.22 175.56 3a8p s TYR 548 N 1.15 2.54 -1.10 0.36 2.02 0.09 -0.04 117.35 122.37 3a8p s TYR 548 Ca 0.04 -0.32 0.26 0.00 -0.37 0.00 0.00 57.07 56.68 3a8p s TYR 548 Cb -0.14 -1.58 1.15 0.00 -0.40 0.00 0.00 41.96 40.98 3a8p s TYR 548 CO 0.03 0.06 1.84 0.39 -1.57 0.00 0.00 175.55 176.30 3a8p n GLU 549 N 2.44 0.09 -4.01 -0.62 1.02 -1.26 -0.42 120.64 117.88 3a8p n GLU 549 Ca -0.17 0.05 -0.09 0.00 -0.02 0.00 0.00 57.16 56.94 3a8p n GLU 549 Cb 0.52 -1.50 -0.11 0.00 -0.02 0.00 0.00 31.44 30.33 3a8p n GLU 549 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3a8p s THR 550 N -2.90 0.18 0.49 2.62 -4.23 -1.26 -4.78 115.64 105.75 3a8p s THR 550 Ca 0.15 -1.09 -0.23 0.00 -1.18 0.00 0.00 61.69 59.35 3a8p s THR 550 Cb 0.17 -0.52 -0.07 0.00 1.34 0.00 0.00 72.50 73.42 3a8p s THR 550 CO 0.45 -0.58 1.24 -0.47 -0.54 0.00 0.00 174.62 174.72 3a8p s TYR 551 N -1.89 2.67 -0.16 3.99 5.04 -1.26 -4.71 117.35 121.03 3a8p s TYR 551 Ca -0.11 1.47 -0.09 0.00 -2.44 0.00 0.00 57.07 55.91 3a8p s TYR 551 Cb -0.07 -3.54 0.06 0.00 0.35 0.00 0.00 41.96 38.76 3a8p s TYR 551 CO -0.02 -2.01 0.38 0.20 -1.34 0.00 0.00 175.55 172.76 3a8p s GLY 552 N -1.19 -0.30 0.00 8.97 0.00 -1.26 -5.14 107.32 108.40 3a8p s GLY 552 Ca 0.66 1.44 0.00 0.00 0.00 0.00 0.00 44.72 46.82 3a8p s GLY 552 CO 0.40 1.61 0.00 0.58 0.00 0.00 0.00 173.10 175.68 3a8p n LYS 553 N 4.24 0.00 0.00 2.90 -0.00 -1.26 -5.16 118.16 118.88 3a8p n LYS 553 Ca -0.24 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.07 3a8p n LYS 553 Cb 0.55 -1.03 0.00 0.00 -0.00 0.00 0.00 35.03 34.55 3a8p n LYS 553 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 3a8p n SER 560 N 0.00 0.00 -4.34 -5.58 3.41 -1.26 -5.18 113.62 100.68 3a8p n SER 560 Ca 0.00 0.00 -0.32 0.00 -0.26 0.00 0.00 58.87 58.29 3a8p n SER 560 Cb 0.00 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 63.80 3a8p n SER 560 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3a8p s ALA 561 N 0.00 2.30 0.65 7.33 0.00 -1.26 -5.11 121.76 125.66 3a8p s ALA 561 Ca 0.00 -1.05 -0.18 0.00 0.00 0.00 0.00 51.96 50.73 3a8p s ALA 561 Cb 0.00 -0.72 -0.01 0.00 0.00 0.00 0.00 23.12 22.39 3a8p s ALA 561 CO 0.00 0.49 1.21 -2.30 0.00 0.00 0.00 175.76 175.15 3a8p n PRO 562 N 2.63 0.99 0.10 0.00 -0.02 -1.26 -4.82 135.00 132.62 3a8p n PRO 562 Ca -0.17 0.39 0.03 0.00 -2.02 0.00 0.00 63.50 61.73 3a8p n PRO 562 Cb 0.52 -2.44 -0.01 0.00 -0.02 0.00 0.00 33.50 31.54 3a8p n PRO 562 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3a8p h ARG 563 N 0.40 0.00 -2.03 -0.52 2.47 -0.83 -3.49 114.38 110.38 3a8p h ARG 563 Ca -0.50 0.00 0.21 0.00 -1.26 0.00 0.00 59.98 58.42 3a8p h ARG 563 Cb 1.34 0.00 -0.12 0.00 -1.65 0.00 0.00 29.97 29.55 3a8p h ARG 563 CO 0.52 0.36 0.60 0.00 0.56 0.00 0.00 179.97 182.01 3a8p s ALA 565 N -2.96 0.64 -0.19 0.00 0.00 -1.26 -0.90 121.76 117.08 3a8p s ALA 565 Ca 0.11 -0.81 0.01 0.00 0.00 0.00 0.00 51.96 51.26 3a8p s ALA 565 Cb 0.00 0.04 0.04 0.00 0.00 0.00 0.00 23.12 23.20 3a8p s ALA 565 CO -0.02 -0.02 -0.09 -1.17 0.00 0.00 0.00 175.76 174.46 3a8p s LEU 566 N -1.67 2.17 -0.59 0.00 0.20 0.11 -4.95 118.68 113.95 3a8p s LEU 566 Ca -0.08 -0.86 -0.24 0.00 0.69 0.00 0.00 54.13 53.64 3a8p s LEU 566 Cb -0.09 -1.17 0.05 0.00 -0.43 0.00 0.00 46.19 44.55 3a8p s LEU 566 CO 0.00 -0.16 0.95 -0.36 -0.29 0.00 0.00 176.35 176.49 3a8p s PHE 567 N 1.44 2.75 -1.33 5.38 0.08 -1.26 -0.18 117.98 124.85 3a8p s PHE 567 Ca -0.01 -0.19 0.10 0.00 0.12 0.00 0.00 56.93 56.95 3a8p s PHE 567 Cb -0.16 -4.14 0.38 0.00 -0.57 0.00 0.00 43.02 38.53 3a8p s PHE 567 CO -0.08 -1.45 1.22 0.00 -0.10 0.00 0.00 175.22 174.80 3a8p n ALA 568 N 7.56 2.81 -1.59 5.36 0.00 0.43 -4.86 120.51 130.23 3a8p n ALA 568 Ca -0.00 -0.82 -0.46 0.00 0.00 0.00 0.00 53.44 52.15 3a8p n ALA 568 Cb 0.47 -1.02 -0.03 0.00 0.00 0.00 0.00 19.45 18.88 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 0.48 1.31 -3.12 0.00 2.13 -1.25 -1.64 120.64 118.55 3a8p n GLU 569 Ca 0.14 0.46 -0.22 0.00 0.66 0.00 0.00 57.16 58.20 3a8p n GLU 569 Cb 0.52 -1.90 0.01 0.00 0.27 0.00 0.00 31.44 30.35 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 1.61 -4.76 -4.92 4.31 8.00 -1.26 -4.12 116.55 115.41 3a8p n ASP 570 Ca 0.12 -0.28 -0.24 0.00 0.71 0.00 0.00 54.79 55.10 3a8p n ASP 570 Cb 0.29 -3.90 0.06 0.00 -0.02 0.00 0.00 41.12 37.55 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 -2.63 4.95 -0.01 -2.24 0.01 -0.65 -4.27 113.70 108.86 3a8p s SER 571 Ca 0.31 0.20 0.04 0.00 1.31 0.00 0.00 55.95 57.82 3a8p s SER 571 Cb -0.16 -0.92 -0.01 0.00 0.21 0.00 0.00 66.02 65.14 3a8p s SER 571 CO 0.39 -1.44 -0.14 -0.63 0.41 0.00 0.00 173.24 171.82 3a8p s ILE 572 N -3.05 1.12 -0.04 1.44 1.01 -0.74 -4.98 121.20 115.96 3a8p s ILE 572 Ca 0.60 -0.60 0.05 0.00 0.00 0.00 0.00 60.65 60.70 3a8p s ILE 572 Cb -0.10 -0.94 -0.01 0.00 0.01 0.00 0.00 42.46 41.42 3a8p s ILE 572 CO 0.42 0.32 -0.20 -0.69 0.00 0.00 0.00 174.94 174.79 3a8p s VAL 573 N -0.31 1.64 -0.01 2.92 1.01 -1.26 -1.76 120.40 122.63 3a8p s VAL 573 Ca 0.05 -0.85 0.01 0.00 0.00 0.00 0.00 61.98 61.19 3a8p s VAL 573 Cb -0.06 -1.39 0.00 0.00 0.00 0.00 0.00 36.38 34.93 3a8p s VAL 573 CO -0.00 0.47 -0.03 -1.10 0.00 0.00 0.00 175.10 174.43 3a8p s GLN 574 N -0.16 0.29 0.54 2.72 -1.52 0.19 -4.95 119.66 116.77 3a8p s GLN 574 Ca -0.00 -0.09 -0.18 0.00 -1.95 0.00 0.00 55.36 53.13 3a8p s GLN 574 Cb -0.11 -0.30 -0.06 0.00 -0.22 0.00 0.00 33.01 32.32 3a8p s GLN 574 CO 0.02 0.04 1.05 -1.54 -0.25 0.00 0.00 175.29 174.61 3a8p s SER 575 N 0.09 6.04 -0.54 5.90 1.04 -1.26 0.14 113.70 125.11 3a8p s SER 575 Ca -0.01 1.87 0.07 0.00 0.48 0.00 0.00 55.95 58.36 3a8p s SER 575 Cb -0.03 -2.55 0.29 0.00 0.10 0.00 0.00 66.02 63.83 3a8p s SER 575 CO -0.00 -0.99 0.75 0.52 0.98 0.00 0.00 173.24 174.50 3a8p n VAL 576 N -1.54 1.59 0.32 5.02 0.31 0.43 -4.78 118.33 119.67 3a8p n VAL 576 Ca 0.09 -4.99 0.21 0.00 -0.01 0.00 0.00 64.34 59.64 3a8p n VAL 576 Cb 0.53 -1.64 1.03 0.00 -0.91 0.00 0.00 33.84 32.85 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 3.66 0.00 -0.00 5.55 0.13 -1.94 -2.57 132.00 136.83 3a8p h PRO 577 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 3a8p h PRO 577 Cb 0.70 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.83 3a8p h PRO 577 CO 0.71 0.00 -0.03 -0.85 -0.23 0.00 0.00 178.00 177.60 3a8p n GLU 578 N -3.11 0.26 -1.66 0.86 0.00 -1.26 -4.86 120.64 110.86 3a8p n GLU 578 Ca -0.02 -0.02 -0.55 0.00 0.00 0.00 0.00 57.16 56.57 3a8p n GLU 578 Cb 0.15 -1.50 -0.07 0.00 0.00 0.00 0.00 31.44 30.03 3a8p n GLU 578 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.13 178.71 3a8p n HIS 579 N -1.35 1.81 -0.06 -1.84 -0.00 -0.97 -4.84 115.22 107.97 3a8p n HIS 579 Ca 0.11 0.59 0.01 0.00 0.46 0.00 0.00 57.72 58.89 3a8p n HIS 579 Cb 0.29 -2.40 0.31 0.00 -0.12 0.00 0.00 29.99 28.07 3a8p n HIS 579 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 3a8p h PRO 580 N 6.05 0.67 0.00 1.57 0.13 -1.92 -3.33 132.00 135.17 3a8p h PRO 580 Ca -0.47 -0.09 -0.03 0.00 -0.87 0.00 0.00 66.00 64.55 3a8p h PRO 580 Cb 1.33 -0.13 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 3a8p h PRO 580 CO 0.88 0.54 -1.85 1.63 -0.23 0.00 0.00 178.00 178.97 3a8p n LYS 581 N -4.37 0.61 -4.22 0.86 4.76 -1.26 -5.02 118.16 109.52 3a8p n LYS 581 Ca 0.04 -0.15 -0.18 0.00 -2.87 0.00 0.00 58.31 55.15 3a8p n LYS 581 Cb 0.14 -1.43 -0.11 0.00 -1.84 0.00 0.00 35.03 31.79 3a8p n LYS 581 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 3a8p s LYS 582 N -3.16 0.96 0.26 1.97 1.02 -1.25 -5.15 119.74 114.39 3a8p s LYS 582 Ca -0.07 -1.17 0.08 0.00 0.02 0.00 0.00 55.97 54.83 3a8p s LYS 582 Cb 0.11 -0.87 -0.04 0.00 -0.52 0.00 0.00 37.83 36.52 3a8p s LYS 582 CO 0.74 0.17 0.15 -1.21 -0.92 0.00 0.00 175.35 174.28 3a8p s GLU 583 N -2.46 2.77 -1.43 1.68 0.41 -1.26 -4.51 118.70 113.89 3a8p s GLU 583 Ca 0.06 -1.15 0.00 0.00 -0.41 0.00 0.00 54.97 53.47 3a8p s GLU 583 Cb -0.06 -2.46 0.00 0.00 -1.78 0.00 0.00 34.13 29.83 3a8p s GLU 583 CO 0.03 0.38 0.00 0.72 -0.49 0.00 0.00 175.26 175.90 3a8p n HIS 584 N -1.12 -0.59 -3.12 1.61 8.25 -1.26 -4.69 115.22 114.30 3a8p n HIS 584 Ca -0.07 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.00 3a8p n HIS 584 Cb 0.58 -3.16 -0.06 0.00 1.12 0.00 0.00 29.99 28.47 3a8p n HIS 584 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3a8p s VAL 585 N -2.75 4.55 0.10 1.59 1.01 -1.26 -0.53 120.40 123.12 3a8p s VAL 585 Ca 0.00 1.43 0.02 0.00 0.00 0.00 0.00 61.98 63.42 3a8p s VAL 585 Cb 0.00 -3.99 -0.04 0.00 0.00 0.00 0.00 36.38 32.35 3a8p s VAL 585 CO 0.00 0.47 -0.06 0.72 0.00 0.00 0.00 175.10 176.23 3a8p s PHE 586 N -1.21 0.89 -0.09 5.22 -0.71 0.54 -0.43 117.98 122.20 3a8p s PHE 586 Ca 0.34 -0.93 0.02 0.00 -1.04 0.00 0.00 56.93 55.32 3a8p s PHE 586 Cb -0.20 -0.52 0.01 0.00 -1.21 0.00 0.00 43.02 41.10 3a8p s PHE 586 CO 0.22 -0.17 -0.15 0.00 -1.34 0.00 0.00 175.22 173.79 3a8p s LEU 588 N 0.83 3.09 -0.17 0.00 0.20 -0.03 -0.64 118.68 121.96 3a8p s LEU 588 Ca -0.11 -0.21 0.00 0.00 0.69 0.00 0.00 54.13 54.50 3a8p s LEU 588 Cb -0.15 -1.75 0.01 0.00 -0.43 0.00 0.00 46.19 43.87 3a8p s LEU 588 CO 0.01 0.13 -0.17 -0.94 -0.29 0.00 0.00 176.35 175.10 3a8p s SER 589 N 0.58 3.44 0.69 3.68 1.04 -0.72 0.17 113.70 122.58 3a8p s SER 589 Ca -0.04 -0.55 0.00 0.00 0.48 0.00 0.00 55.95 55.84 3a8p s SER 589 Cb -0.15 -1.53 0.00 0.00 0.10 0.00 0.00 66.02 64.44 3a8p s SER 589 CO 0.03 0.03 0.00 -0.46 0.98 0.00 0.00 173.24 173.82 3a8p n ASN 590 N 4.39 0.00 -0.97 7.02 0.23 -0.58 -1.80 115.26 123.55 3a8p n ASN 590 Ca -0.20 -0.98 0.06 0.00 -0.53 0.00 0.00 54.58 52.93 3a8p n ASN 590 Cb 0.51 0.00 0.20 0.00 -2.08 0.00 0.00 39.78 38.41 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 -2.94 2.78 -0.16 0.53 3.41 -1.26 -4.08 113.62 111.90 3a8p n SER 591 Ca 0.00 -2.19 0.02 0.00 -0.26 0.00 0.00 58.87 56.44 3a8p n SER 591 Cb 0.00 -0.40 0.02 0.00 -0.26 0.00 0.00 64.21 63.57 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 0.19 0.88 3.89 0.00 0.00 -1.26 -4.71 105.19 104.18 3a8p n GLY 593 Ca 0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.25 6.45 -0.03 1.61 1.01 -1.26 -3.75 116.67 118.45 3a8p s ASP 594 Ca 0.00 0.50 0.04 0.00 0.71 0.00 0.00 52.55 53.80 3a8p s ASP 594 Cb 0.00 -2.07 -0.00 0.00 1.01 0.00 0.00 42.92 41.86 3a8p s ASP 594 CO 0.00 0.29 -0.15 -0.69 0.21 0.00 0.00 175.17 174.83 3a8p s VAL 595 N -1.24 1.27 0.07 -1.27 1.01 -0.42 -1.53 120.40 118.28 3a8p s VAL 595 Ca 0.24 -0.64 0.04 0.00 0.00 0.00 0.00 61.98 61.63 3a8p s VAL 595 Cb -0.13 -1.09 -0.03 0.00 0.00 0.00 0.00 36.38 35.14 3a8p s VAL 595 CO 0.14 0.37 -0.12 -0.31 0.00 0.00 0.00 175.10 175.17 3a8p s TYR 596 N -0.02 1.08 0.02 5.22 2.02 0.13 -1.38 117.35 124.41 3a8p s TYR 596 Ca -0.01 -0.49 0.04 0.00 -0.37 0.00 0.00 57.07 56.24 3a8p s TYR 596 Cb -0.10 -0.61 -0.03 0.00 -0.40 0.00 0.00 41.96 40.82 3a8p s TYR 596 CO 0.01 0.02 -0.09 -0.51 -1.57 0.00 0.00 175.55 173.41 3a8p s LEU 597 N -1.79 3.04 0.03 -1.29 1.43 0.47 -0.85 118.68 119.73 3a8p s LEU 597 Ca -0.03 -0.23 0.01 0.00 -1.03 0.00 0.00 54.13 52.85 3a8p s LEU 597 Cb -0.09 -1.77 -0.02 0.00 0.03 0.00 0.00 46.19 44.34 3a8p s LEU 597 CO 0.02 0.26 -0.04 -0.36 0.23 0.00 0.00 176.35 176.46 3a8p s PHE 598 N -1.01 0.41 -0.18 0.29 0.08 0.06 -1.46 117.98 116.16 3a8p s PHE 598 Ca 0.17 -0.60 -0.00 0.00 0.12 0.00 0.00 56.93 56.62 3a8p s PHE 598 Cb -0.11 -0.28 0.05 0.00 -0.57 0.00 0.00 43.02 42.11 3a8p s PHE 598 CO 0.08 -0.18 -0.05 -1.14 -0.10 0.00 0.00 175.22 173.82 3a8p s GLN 599 N -1.85 1.48 0.76 0.44 0.74 -0.29 -0.34 119.66 120.60 3a8p s GLN 599 Ca -0.11 -0.63 -0.13 0.00 0.05 0.00 0.00 55.36 54.54 3a8p s GLN 599 Cb -0.07 -2.16 0.18 0.00 1.10 0.00 0.00 33.01 32.05 3a8p s GLN 599 CO -0.02 -0.48 0.89 0.00 -0.55 0.00 0.00 175.29 175.14 3a8p n ALA 600 N 4.83 -1.54 1.03 1.58 0.00 0.31 -2.59 120.51 124.13 3a8p n ALA 600 Ca -0.12 -1.21 0.11 0.00 0.00 0.00 0.00 53.44 52.22 3a8p n ALA 600 Cb 0.47 -0.07 0.09 0.00 0.00 0.00 0.00 19.45 19.94 3a8p n ALA 600 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3a8p n THR 601 N -3.60 0.00 -3.72 0.00 -2.24 -1.26 -4.84 114.28 98.63 3a8p n THR 601 Ca 0.12 -0.04 -0.01 0.00 -2.27 0.00 0.00 64.05 61.85 3a8p n THR 601 Cb 0.41 0.67 -0.01 0.00 -2.10 0.00 0.00 70.33 69.30 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 -2.90 -0.10 0.18 3.42 1.04 -1.26 -4.97 113.70 109.12 3a8p s SER 602 Ca 0.12 -0.30 -0.10 0.00 0.48 0.00 0.00 55.95 56.15 3a8p s SER 602 Cb 0.17 0.33 0.09 0.00 0.10 0.00 0.00 66.02 66.71 3a8p s SER 602 CO 0.74 -0.61 1.70 -0.61 0.98 0.00 0.00 173.24 175.44 3a8p h GLN 603 N 2.00 1.04 -0.57 4.02 5.75 -1.94 -0.37 115.11 125.05 3a8p h GLN 603 Ca -0.27 -0.25 -0.04 0.00 -0.15 0.00 0.00 58.65 57.94 3a8p h GLN 603 Cb 1.21 -0.14 -0.02 0.00 1.07 0.00 0.00 27.48 29.60 3a8p h GLN 603 CO 0.28 0.93 0.21 1.15 -2.65 0.00 0.00 178.83 178.76 3a8p h THR 604 N 0.97 1.23 -0.75 2.39 2.02 -1.99 -1.42 112.91 115.36 3a8p h THR 604 Ca 0.21 -0.72 -0.04 0.00 0.77 0.00 0.00 66.41 66.62 3a8p h THR 604 Cb 0.36 0.64 -0.03 0.00 -1.74 0.00 0.00 68.15 67.37 3a8p h THR 604 CO 0.00 0.28 0.33 -0.78 0.37 0.00 0.00 175.52 175.72 3a8p h ASP 605 N 0.78 1.00 -0.44 4.18 3.58 -1.85 -0.73 116.42 122.95 3a8p h ASP 605 Ca 0.19 -0.15 0.01 0.00 0.42 0.00 0.00 57.03 57.49 3a8p h ASP 605 Cb 0.22 -0.26 -0.02 0.00 1.72 0.00 0.00 39.33 40.99 3a8p h ASP 605 CO -0.01 0.88 0.29 0.25 -2.88 0.00 0.00 179.24 177.76 3a8p h LEU 606 N 1.06 0.49 -0.98 2.28 6.46 -0.68 -1.14 115.31 122.80 3a8p h LEU 606 Ca 0.25 -0.01 -0.05 0.00 -0.12 0.00 0.00 57.88 57.95 3a8p h LEU 606 Cb 0.17 -0.12 -0.03 0.00 -0.73 0.00 0.00 40.66 39.95 3a8p h LEU 606 CO -0.03 0.36 0.17 -0.33 -0.62 0.00 0.00 178.44 177.99 3a8p h GLU 607 N 0.58 0.91 -0.56 1.25 5.08 -0.88 -1.08 114.58 119.88 3a8p h GLU 607 Ca 0.16 -0.18 -0.08 0.00 -1.00 0.00 0.00 59.36 58.26 3a8p h GLU 607 Cb -0.06 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.03 3a8p h GLU 607 CO -0.04 0.80 0.04 -0.91 -1.00 0.00 0.00 179.01 177.90 3a8p h ASN 608 N 0.88 0.90 -0.20 1.42 2.35 -0.59 -1.07 115.58 119.26 3a8p h ASN 608 Ca 0.20 -0.22 -0.05 0.00 -0.55 0.00 0.00 56.30 55.68 3a8p h ASN 608 Cb 0.28 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.40 3a8p h ASN 608 CO -0.01 0.93 -0.07 -0.50 -1.65 0.00 0.00 177.43 176.14 3a8p h TRP 609 N 0.87 0.46 -0.32 1.19 4.06 -0.76 -0.62 115.95 120.84 3a8p h TRP 609 Ca 0.17 -0.11 0.00 0.00 2.06 0.00 0.00 58.89 61.02 3a8p h TRP 609 Cb 0.45 -0.11 -0.02 0.00 -1.00 0.00 0.00 29.16 28.49 3a8p h TRP 609 CO 0.03 0.67 0.21 0.28 -3.56 0.00 0.00 178.44 176.07 3a8p h VAL 610 N 0.12 1.08 -0.44 1.49 2.07 -1.12 -0.11 116.25 119.34 3a8p h VAL 610 Ca 0.05 -0.15 -0.00 0.00 0.82 0.00 0.00 66.70 67.42 3a8p h VAL 610 Cb 0.54 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 30.89 3a8p h VAL 610 CO 0.02 0.08 0.26 0.74 0.02 0.00 0.00 177.57 178.69 3a8p h THR 611 N 0.43 1.14 0.10 2.57 2.02 -1.15 -1.58 112.91 116.45 3a8p h THR 611 Ca 0.12 -0.34 -0.01 0.00 0.77 0.00 0.00 66.41 66.95 3a8p h THR 611 Cb -0.05 0.57 0.00 0.00 -1.74 0.00 0.00 68.15 66.93 3a8p h THR 611 CO -0.03 0.15 -0.05 0.00 0.37 0.00 0.00 175.52 175.96 3a8p h ALA 612 N 1.12 -0.14 -0.41 6.16 0.00 -0.76 0.16 119.26 125.38 3a8p h ALA 612 Ca 0.16 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 3a8p h ALA 612 Cb 0.01 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3a8p h ALA 612 CO -0.03 -0.57 0.16 0.82 0.00 0.00 0.00 179.25 179.63 3a8p h ILE 613 N -0.15 1.20 -0.52 0.00 2.04 -0.94 -1.18 117.51 117.96 3a8p h ILE 613 Ca -0.01 -0.62 -0.07 0.00 1.00 0.00 0.00 64.86 65.15 3a8p h ILE 613 Cb 0.11 0.83 -0.02 0.00 -0.74 0.00 0.00 36.82 37.00 3a8p h ILE 613 CO 0.02 0.22 0.02 0.45 0.00 0.00 0.00 178.15 178.87 3a8p h HIS 614 N 0.53 0.91 -0.56 1.37 3.86 -1.23 -1.63 115.15 118.39 3a8p h HIS 614 Ca 0.14 -0.13 -0.09 0.00 -1.16 0.00 0.00 60.37 59.13 3a8p h HIS 614 Cb 0.19 -0.25 -0.02 0.00 1.06 0.00 0.00 27.41 28.39 3a8p h HIS 614 CO 0.00 0.82 0.01 0.77 0.86 0.00 0.00 177.93 180.39 3a8p h SER 615 N 0.80 0.97 -0.20 2.45 0.02 -0.67 0.10 113.55 117.02 3a8p h SER 615 Ca 0.16 -0.30 -0.01 0.00 -0.84 0.00 0.00 61.79 60.80 3a8p h SER 615 Cb 0.45 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.72 3a8p h SER 615 CO 0.02 1.03 0.10 0.00 -1.14 0.00 0.00 176.83 176.84 3a8p h ALA 616 N 0.97 0.26 -0.66 3.77 0.00 -1.01 -1.08 119.26 121.51 3a8p h ALA 616 Ca 0.16 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.99 3a8p h ALA 616 Cb 0.53 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 3a8p h ALA 616 CO 0.03 -0.18 0.43 0.00 0.00 0.00 0.00 179.25 179.53 3a8p h ALA 618 N 1.24 1.17 0.24 0.00 0.00 -0.83 0.16 119.26 121.24 3a8p h ALA 618 Ca 0.24 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3a8p h ALA 618 Cb -0.10 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.44 3a8p h ALA 618 CO -0.05 0.58 -0.12 1.03 0.00 0.00 0.00 179.25 180.69 3a8p h SER 619 N 0.91 -0.27 -0.72 0.00 0.87 -0.41 -0.59 113.55 113.34 3a8p h SER 619 Ca 0.21 -0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.70 3a8p h SER 619 Cb 0.26 0.07 -0.04 0.00 -0.44 0.00 0.00 62.40 62.26 3a8p h SER 619 CO -0.01 -0.11 0.46 0.25 -0.53 0.00 0.00 176.83 176.89 3a8p h LEU 620 N -0.42 0.84 -0.22 2.23 5.85 -0.84 -0.58 115.31 122.17 3a8p h LEU 620 Ca -0.03 -0.04 0.05 0.00 0.84 0.00 0.00 57.88 58.69 3a8p h LEU 620 Cb 0.32 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.10 3a8p h LEU 620 CO 0.05 0.63 -0.07 0.15 -0.34 0.00 0.00 178.44 178.87 3a8p h PHE 621 N 0.98 -0.14 -0.63 1.25 3.57 -0.77 0.74 116.94 121.93 3a8p h PHE 621 Ca 0.26 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.73 3a8p h PHE 621 Cb -0.07 0.10 -0.03 0.00 2.79 0.00 0.00 35.95 38.73 3a8p h PHE 621 CO -0.02 -0.11 0.20 0.00 -2.23 0.00 0.00 178.31 176.16 3a8p h ALA 622 N 1.20 1.18 -0.74 2.41 0.00 -0.71 -2.45 119.26 120.15 3a8p h ALA 622 Ca 0.11 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 3a8p h ALA 622 Cb 0.18 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 3a8p h ALA 622 CO -0.24 0.58 0.28 -0.22 0.00 0.00 0.00 179.25 179.65 3a8p h LYS 623 N 0.92 1.11 -0.04 0.00 3.64 -0.21 -0.86 116.57 121.13 3a8p h LYS 623 Ca 0.21 -0.21 -0.09 0.00 -1.27 0.00 0.00 60.65 59.29 3a8p h LYS 623 Cb 0.25 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.88 3a8p h LYS 623 CO -0.01 0.92 -0.38 0.87 -2.27 0.00 0.00 179.45 178.58 3a8p h LYS 624 N 1.08 0.08 -0.30 1.90 1.57 -0.50 -2.21 116.57 118.20 3a8p h LYS 624 Ca 0.25 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 3a8p h LYS 624 Cb 0.23 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.54 3a8p h LYS 624 CO -0.02 0.45 0.00 0.72 -0.57 0.00 0.00 179.45 180.04 3a8p n HIS 625 N -4.07 0.39 -3.65 -1.35 8.25 -0.91 -4.93 115.22 108.95 3a8p n HIS 625 Ca -0.02 -0.19 -0.25 0.00 -0.26 0.00 0.00 57.72 57.00 3a8p n HIS 625 Cb 0.43 0.00 0.07 0.00 1.12 0.00 0.00 29.99 31.61 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 1.13 -0.52 3.33 -1.41 0.00 -0.81 -5.01 105.19 101.89 3a8p n GLY 626 Ca 0.14 0.24 -0.25 0.00 0.00 0.00 0.00 46.02 46.15 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 -6.30 1.24 -0.02 1.61 -0.14 -0.39 -5.04 119.74 110.70 3a8p s LYS 627 Ca 0.55 -1.27 0.12 0.00 -1.36 0.00 0.00 55.97 54.01 3a8p s LYS 627 Cb -0.25 -1.54 -0.18 0.00 -1.68 0.00 0.00 37.83 34.18 3a8p s LYS 627 CO 0.75 0.35 0.24 0.39 -0.76 0.00 0.00 175.35 176.32 3a8p n GLU 628 N 0.86 0.52 -3.03 1.68 1.02 -1.26 -4.20 120.64 116.24 3a8p n GLU 628 Ca -0.18 -0.10 -0.44 0.00 -0.02 0.00 0.00 57.16 56.42 3a8p n GLU 628 Cb 0.54 -1.28 -0.00 0.00 -0.02 0.00 0.00 31.44 30.67 3a8p n GLU 628 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3a8p s ASP 629 N -3.46 7.05 0.15 1.62 -1.08 -1.26 -4.88 116.67 114.80 3a8p s ASP 629 Ca -0.04 -2.96 -0.19 0.00 -0.52 0.00 0.00 52.55 48.83 3a8p s ASP 629 Cb 0.07 -2.36 0.03 0.00 -1.46 0.00 0.00 42.92 39.20 3a8p s ASP 629 CO 0.49 -0.70 1.68 0.74 0.52 0.00 0.00 175.17 177.90 3a8p h THR 630 N 4.65 0.68 -0.81 1.71 2.02 -1.95 -2.35 112.91 116.87 3a8p h THR 630 Ca 0.26 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.53 3a8p h THR 630 Cb 0.90 0.68 -0.07 0.00 -1.74 0.00 0.00 68.15 67.92 3a8p h THR 630 CO 1.17 0.00 0.47 0.58 0.37 0.00 0.00 175.52 178.10 3a8p h VAL 631 N -0.02 0.94 -0.51 3.16 2.07 -1.97 -0.59 116.25 119.32 3a8p h VAL 631 Ca 0.14 -0.28 -0.10 0.00 0.82 0.00 0.00 66.70 67.28 3a8p h VAL 631 Cb 0.24 0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.05 3a8p h VAL 631 CO -0.31 0.15 -0.09 -0.09 0.02 0.00 0.00 177.57 177.25 3a8p h ARG 632 N 0.80 0.94 -0.37 1.57 2.43 -1.91 -1.17 114.38 116.68 3a8p h ARG 632 Ca 0.38 -0.32 -0.04 0.00 -0.81 0.00 0.00 59.98 59.19 3a8p h ARG 632 Cb 0.31 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.77 3a8p h ARG 632 CO -0.23 0.98 0.09 1.25 -1.51 0.00 0.00 179.97 180.55 3a8p h LEU 633 N 0.85 0.56 -0.49 3.80 5.85 -0.85 -0.52 115.31 124.50 3a8p h LEU 633 Ca 0.14 -0.24 -0.00 0.00 0.84 0.00 0.00 57.88 58.62 3a8p h LEU 633 Cb 0.62 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.48 3a8p h LEU 633 CO 0.04 0.65 0.30 -0.07 -0.34 0.00 0.00 178.44 179.02 3a8p h LEU 634 N 0.44 0.59 -0.67 2.25 3.38 -0.94 0.29 115.31 120.64 3a8p h LEU 634 Ca 0.11 -0.05 -0.09 0.00 0.09 0.00 0.00 57.88 57.95 3a8p h LEU 634 Cb 0.31 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 3a8p h LEU 634 CO 0.00 0.46 0.05 0.11 0.09 0.00 0.00 178.44 179.16 3a8p h LYS 635 N 0.66 1.08 -0.81 1.13 1.57 -1.12 -1.17 116.57 117.91 3a8p h LYS 635 Ca 0.18 -0.31 -0.03 0.00 -1.87 0.00 0.00 60.65 58.61 3a8p h LYS 635 Cb -0.02 -0.11 -0.04 0.00 0.08 0.00 0.00 32.23 32.14 3a8p h LYS 635 CO -0.03 1.02 0.38 1.03 -0.57 0.00 0.00 179.45 181.28 3a8p h SER 636 N 1.00 1.07 -0.28 0.86 0.87 -0.68 -2.21 113.55 114.18 3a8p h SER 636 Ca 0.19 -0.14 -0.02 0.00 -1.23 0.00 0.00 61.79 60.59 3a8p h SER 636 Cb 0.50 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 62.17 3a8p h SER 636 CO 0.02 0.92 0.11 1.56 -0.53 0.00 0.00 176.83 178.91 3a8p h GLN 637 N 1.16 0.43 -0.91 2.24 1.08 -0.50 -2.07 115.11 116.53 3a8p h GLN 637 Ca 0.28 -0.08 0.02 0.00 -1.45 0.00 0.00 58.65 57.42 3a8p h GLN 637 Cb 0.14 -0.07 -0.05 0.00 -0.05 0.00 0.00 27.48 27.45 3a8p h GLN 637 CO -0.03 0.45 0.60 1.79 -0.95 0.00 0.00 178.83 180.69 3a8p h THR 638 N 0.31 1.20 -0.29 -0.54 1.35 -0.95 0.83 112.91 114.82 3a8p h THR 638 Ca 0.09 -0.41 -0.02 0.00 -0.55 0.00 0.00 66.41 65.52 3a8p h THR 638 Cb 0.19 -0.10 -0.01 0.00 -1.73 0.00 0.00 68.15 66.50 3a8p h THR 638 CO -0.01 0.22 0.09 0.03 -0.25 0.00 0.00 175.52 175.60 3a8p h ARG 639 N 1.20 0.46 -0.13 4.72 3.08 -1.24 -1.41 114.38 121.06 3a8p h ARG 639 Ca 0.35 -0.10 -0.00 0.00 0.07 0.00 0.00 59.98 60.29 3a8p h ARG 639 Cb -0.08 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 29.90 3a8p h ARG 639 CO -0.09 0.52 0.07 1.03 -1.07 0.00 0.00 179.97 180.43 3a8p h SER 640 N 0.31 0.16 -0.92 7.04 0.87 -0.73 -2.07 113.55 118.22 3a8p h SER 640 Ca 0.09 -0.09 0.03 0.00 -1.23 0.00 0.00 61.79 60.59 3a8p h SER 640 Cb 0.25 -0.04 -0.05 0.00 -0.44 0.00 0.00 62.40 62.12 3a8p h SER 640 CO -0.00 0.21 0.60 -0.07 -0.53 0.00 0.00 176.83 177.04 3a8p h LEU 641 N 0.10 1.01 -1.17 2.23 3.38 -0.80 -0.97 115.31 119.10 3a8p h LEU 641 Ca 0.04 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 3a8p h LEU 641 Cb 0.08 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 3a8p h LEU 641 CO -0.01 0.71 0.14 -0.07 0.09 0.00 0.00 178.44 179.30 3a8p h LEU 642 N 1.18 0.67 -0.21 1.67 3.38 -0.90 -0.81 115.31 120.28 3a8p h LEU 642 Ca 0.35 -0.10 -0.18 0.00 0.09 0.00 0.00 57.88 58.04 3a8p h LEU 642 Cb -0.04 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.54 3a8p h LEU 642 CO -0.10 0.65 -0.58 1.56 0.09 0.00 0.00 178.44 180.06 3a8p h GLN 643 N 0.71 0.75 -0.43 1.13 4.20 -0.62 -2.53 115.11 118.32 3a8p h GLN 643 Ca 0.16 -0.54 -0.03 0.00 0.06 0.00 0.00 58.65 58.31 3a8p h GLN 643 Cb 0.23 0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.08 3a8p h GLN 643 CO -0.01 1.16 0.15 0.87 -0.67 0.00 0.00 178.83 180.33 3a8p h LYS 644 N 0.48 0.62 -0.43 1.46 1.57 -0.86 -0.22 116.57 119.20 3a8p h LYS 644 Ca -0.01 -0.09 -0.09 0.00 -1.87 0.00 0.00 60.65 58.59 3a8p h LYS 644 Cb 1.20 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.38 3a8p h LYS 644 CO 0.12 0.53 -0.08 0.82 -0.57 0.00 0.00 179.45 180.28 3a8p h ILE 645 N 0.61 1.27 -0.36 1.86 2.04 -1.08 0.02 117.51 121.87 3a8p h ILE 645 Ca 0.15 -1.17 -0.03 0.00 1.00 0.00 0.00 64.86 64.81 3a8p h ILE 645 Cb 0.16 1.15 -0.02 0.00 -0.74 0.00 0.00 36.82 37.38 3a8p h ILE 645 CO -0.01 0.40 0.12 -0.78 0.00 0.00 0.00 178.15 177.87 3a8p h ASP 646 N 0.64 0.52 -0.03 1.72 1.82 -0.96 -0.46 116.42 119.68 3a8p h ASP 646 Ca 0.11 -0.20 -0.00 0.00 -0.39 0.00 0.00 57.03 56.55 3a8p h ASP 646 Cb 0.60 -0.14 -0.00 0.00 0.68 0.00 0.00 39.33 40.48 3a8p h ASP 646 CO 0.04 0.58 0.01 -0.03 -1.61 0.00 0.00 179.24 178.23 3a8p h MET 647 N 0.44 0.04 0.00 0.28 4.05 -0.95 -2.53 114.93 116.26 3a8p h MET 647 Ca 0.12 -0.01 -0.08 0.00 -0.28 0.00 0.00 59.70 59.45 3a8p h MET 647 Cb 0.24 -0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.03 3a8p h MET 647 CO -0.00 0.20 -0.38 -0.44 0.23 0.00 0.00 176.91 176.52 3a8p h ASP 648 N -0.13 0.00 -0.40 1.39 5.19 -0.97 -1.60 116.42 119.89 3a8p h ASP 648 Ca 0.01 0.00 -0.10 0.00 -0.62 0.00 0.00 57.03 56.32 3a8p h ASP 648 Cb 0.18 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.68 3a8p h ASP 648 CO -0.00 0.38 -0.13 0.28 -3.12 0.00 0.00 179.24 176.65 3a8p h SER 649 N 0.00 0.82 -0.55 6.45 0.02 -1.00 -1.51 113.55 117.79 3a8p h SER 649 Ca -0.00 -0.38 -0.10 0.00 -0.84 0.00 0.00 61.79 60.47 3a8p h SER 649 Cb 0.83 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 63.12 3a8p h SER 649 CO 0.05 1.01 -0.05 0.11 -1.14 0.00 0.00 176.83 176.81 3a8p h LYS 650 N 0.62 1.00 -0.87 3.45 1.57 -1.20 -2.30 116.57 118.84 3a8p h LYS 650 Ca 0.10 -0.34 -0.02 0.00 -1.87 0.00 0.00 60.65 58.52 3a8p h LYS 650 Cb 0.67 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.86 3a8p h LYS 650 CO 0.05 1.02 0.48 0.52 -0.57 0.00 0.00 179.45 180.94 3a8p h MET 651 N 0.87 1.21 -0.81 3.15 2.86 -1.17 -1.39 114.93 119.65 3a8p h MET 651 Ca 0.15 -0.14 -0.04 0.00 -2.06 0.00 0.00 59.70 57.61 3a8p h MET 651 Cb 0.60 -0.24 -0.04 0.00 0.06 0.00 0.00 31.60 31.98 3a8p h MET 651 CO 0.04 0.88 0.36 -0.22 1.06 0.00 0.00 176.91 179.03 3a8p h LYS 652 N 1.21 1.19 -0.35 1.72 3.64 -1.06 -0.84 116.57 122.09 3a8p h LYS 652 Ca 0.31 -0.19 -0.14 0.00 -1.27 0.00 0.00 60.65 59.35 3a8p h LYS 652 Cb 0.03 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 31.63 3a8p h LYS 652 CO -0.05 0.94 -0.34 0.87 -2.27 0.00 0.00 179.45 178.60 3a8p h LYS 653 N 1.17 0.78 -0.29 1.90 1.57 -1.02 -2.00 116.57 118.69 3a8p h LYS 653 Ca 0.28 -0.38 -0.01 0.00 -1.87 0.00 0.00 60.65 58.66 3a8p h LYS 653 Cb 0.16 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 3a8p h LYS 653 CO -0.03 1.01 0.13 1.98 -0.57 0.00 0.00 179.45 181.97 3a8p h MET 654 N 0.65 0.41 -0.59 3.15 4.05 -0.81 -0.71 114.93 121.08 3a8p h MET 654 Ca 0.07 -0.06 0.03 0.00 -0.28 0.00 0.00 59.70 59.45 3a8p h MET 654 Cb 0.89 -0.07 -0.04 0.00 -0.80 0.00 0.00 31.60 31.57 3a8p h MET 654 CO 0.08 0.40 0.35 0.00 0.23 0.00 0.00 176.91 177.98 3a8p h ALA 655 N 0.99 0.77 -0.73 0.39 0.00 -1.09 -0.78 119.26 118.81 3a8p h ALA 655 Ca 0.10 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 3a8p h ALA 655 Cb 0.13 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 3a8p h ALA 655 CO -0.01 0.08 0.44 0.93 0.00 0.00 0.00 179.25 180.68 3a8p h GLU 656 N 0.69 0.99 -0.78 0.00 5.08 -1.09 0.05 114.58 119.53 3a8p h GLU 656 Ca 0.24 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.51 3a8p h GLU 656 Cb 0.05 -0.21 -0.04 0.00 0.50 0.00 0.00 28.75 29.05 3a8p h GLU 656 CO -0.11 0.70 0.47 1.25 -1.00 0.00 0.00 179.01 180.32 3a8p h LEU 657 N 1.00 0.95 -0.86 1.33 5.85 -0.40 -1.62 115.31 121.55 3a8p h LEU 657 Ca 0.26 -0.07 -0.08 0.00 0.84 0.00 0.00 57.88 58.83 3a8p h LEU 657 Cb -0.03 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.74 3a8p h LEU 657 CO -0.05 0.74 -0.02 1.56 -0.34 0.00 0.00 178.44 180.33 3a8p h GLN 658 N 1.08 0.83 0.00 1.25 1.08 -0.52 -2.84 115.11 115.98 3a8p h GLN 658 Ca 0.28 -0.24 -0.06 0.00 -1.45 0.00 0.00 58.65 57.18 3a8p h GLN 658 Cb -0.03 -0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 27.31 3a8p h GLN 658 CO -0.05 0.84 -0.29 1.25 -0.95 0.00 0.00 178.83 179.63 3a8p h LEU 659 N 0.76 0.00 -2.36 1.46 5.85 -0.30 -3.19 115.31 117.54 3a8p h LEU 659 Ca 0.14 0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.89 3a8p h LEU 659 Cb 0.49 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.52 3a8p h LEU 659 CO 0.02 0.29 0.20 0.77 -0.34 0.00 0.00 178.44 179.39 3a8p h SER 660 N 0.00 0.00 -0.02 1.25 4.64 -1.06 -1.67 113.55 116.69 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 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 3a8p h SER 660 CO 0.04 0.00 -0.02 1.33 -0.87 0.00 0.00 176.83 177.31 3a8p n VAL 661 N -3.29 0.00 -2.94 0.95 0.24 -1.20 -4.97 118.33 107.12 3a8p n VAL 661 Ca -0.01 -0.49 -0.41 0.00 -2.04 0.00 0.00 64.34 61.40 3a8p n VAL 661 Cb 0.28 1.31 -0.04 0.00 -1.47 0.00 0.00 33.84 33.92 3a8p n VAL 661 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 3a8p s VAL 662 N -1.30 4.95 -0.10 3.34 1.01 -0.63 -4.92 120.40 122.75 3a8p s VAL 662 Ca 0.17 1.58 0.10 0.00 0.00 0.00 0.00 61.98 63.84 3a8p s VAL 662 Cb 0.13 -4.11 -0.15 0.00 0.00 0.00 0.00 36.38 32.25 3a8p s VAL 662 CO 0.20 0.13 0.08 -1.20 0.00 0.00 0.00 175.10 174.30 3a8p n SER 663 N 4.56 2.24 -4.60 3.32 7.64 -1.26 -4.90 113.62 120.63 3a8p n SER 663 Ca 0.02 0.00 -0.51 0.00 1.01 0.00 0.00 58.87 59.40 3a8p n SER 663 Cb 0.50 0.90 -0.05 0.00 -1.01 0.00 0.00 64.21 64.55 3a8p n SER 663 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 3a8p n ASP 664 N -2.33 1.83 0.44 6.43 8.00 -1.26 -4.87 116.55 124.78 3a8p n ASP 664 Ca -0.16 1.12 -0.18 0.00 0.71 0.00 0.00 54.79 56.28 3a8p n ASP 664 Cb 0.77 -1.23 -0.09 0.00 -0.02 0.00 0.00 41.12 40.56 3a8p n ASP 664 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 3a8p h PRO 665 N 4.58 -1.11 -0.11 -0.24 0.13 -1.99 -0.27 132.00 132.99 3a8p h PRO 665 Ca -0.47 0.08 -0.12 0.00 -0.87 0.00 0.00 66.00 64.62 3a8p h PRO 665 Cb 1.32 0.25 -0.01 0.00 0.13 0.00 0.00 31.00 32.69 3a8p h PRO 665 CO 0.78 -0.74 -0.45 0.87 -0.23 0.00 0.00 178.00 178.24 3a8p h LYS 666 N -1.15 0.27 -0.08 0.86 1.57 -2.00 -2.49 116.57 113.55 3a8p h LYS 666 Ca -0.11 -0.14 -0.08 0.00 -1.87 0.00 0.00 60.65 58.45 3a8p h LYS 666 Cb 0.90 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.20 3a8p h LYS 666 CO 0.16 0.67 -0.32 -0.91 -0.57 0.00 0.00 179.45 178.47 3a8p h ASN 667 N 0.22 0.15 0.81 0.86 2.35 -1.94 -1.45 115.58 116.58 3a8p h ASN 667 Ca 0.02 -0.05 -0.04 0.00 -0.55 0.00 0.00 56.30 55.68 3a8p h ASN 667 Cb 0.88 -0.04 0.01 0.00 0.05 0.00 0.00 38.32 39.22 3a8p h ASN 667 CO 0.07 0.47 -0.39 0.03 -1.65 0.00 0.00 177.43 175.97 3a8p h ARG 668 N 0.13 -1.04 -0.81 0.81 2.47 -0.61 -2.89 114.38 112.44 3a8p h ARG 668 Ca 0.02 0.07 0.11 0.00 -1.26 0.00 0.00 59.98 58.91 3a8p h ARG 668 Cb 0.64 0.24 -0.06 0.00 -1.65 0.00 0.00 29.97 29.14 3a8p h ARG 668 CO 0.05 -0.70 0.53 1.57 0.56 0.00 0.00 179.97 181.98 3a8p h LYS 669 N -1.26 0.70 -0.74 0.04 2.10 -1.38 -1.50 116.57 114.53 3a8p h LYS 669 Ca -0.11 -0.04 0.05 0.00 -2.00 0.00 0.00 60.65 58.55 3a8p h LYS 669 Cb 0.83 -0.16 -0.05 0.00 -0.90 0.00 0.00 32.23 31.95 3a8p h LYS 669 CO 0.18 0.46 0.45 0.00 -2.00 0.00 0.00 179.45 178.54 3a8p h ALA 670 N 1.60 0.99 -0.02 0.07 0.00 -1.20 0.19 119.26 120.89 3a8p h ALA 670 Ca 0.38 -0.00 -0.18 0.00 0.00 0.00 0.00 54.91 55.10 3a8p h ALA 670 Cb 0.51 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3a8p h ALA 670 CO -0.15 0.18 -0.80 0.82 0.00 0.00 0.00 179.25 179.30 3a8p h ILE 671 N 0.84 1.46 -0.69 0.00 2.04 -1.09 -2.97 117.51 117.09 3a8p h ILE 671 Ca 0.32 -2.42 -0.07 0.00 1.00 0.00 0.00 64.86 63.69 3a8p h ILE 671 Cb 0.12 2.32 -0.03 0.00 -0.74 0.00 0.00 36.82 38.49 3a8p h ILE 671 CO -0.15 0.71 0.16 -0.33 0.00 0.00 0.00 178.15 178.54 3a8p h GLU 672 N 0.14 1.11 -0.86 2.37 5.08 -0.49 0.25 114.58 122.18 3a8p h GLU 672 Ca -0.03 -0.27 0.04 0.00 -1.00 0.00 0.00 59.36 58.09 3a8p h GLU 672 Cb 1.39 -0.14 -0.05 0.00 0.50 0.00 0.00 28.75 30.44 3a8p h GLU 672 CO 0.12 0.99 0.55 -0.91 -1.00 0.00 0.00 179.01 178.76 3a8p h ASN 673 N 1.04 0.91 -0.26 1.42 -0.26 -0.61 0.54 115.58 118.37 3a8p h ASN 673 Ca 0.22 -0.00 -0.03 0.00 -0.56 0.00 0.00 56.30 55.92 3a8p h ASN 673 Cb 0.38 -0.20 -0.01 0.00 -1.06 0.00 0.00 38.32 37.43 3a8p h ASN 673 CO 0.00 0.62 0.04 -0.61 -1.06 0.00 0.00 177.43 176.42 3a8p h GLN 674 N 1.06 0.43 -0.85 0.81 4.15 -1.24 -2.32 115.11 117.15 3a8p h GLN 674 Ca 0.35 -0.12 0.05 0.00 0.77 0.00 0.00 58.65 59.70 3a8p h GLN 674 Cb 0.03 -0.05 -0.06 0.00 0.21 0.00 0.00 27.48 27.61 3a8p h GLN 674 CO -0.12 0.56 0.53 0.82 -1.93 0.00 0.00 178.83 178.69 3a8p h ILE 675 N 0.24 1.08 -0.42 2.39 2.04 -0.26 -1.14 117.51 121.43 3a8p h ILE 675 Ca 0.08 -0.34 -0.04 0.00 1.00 0.00 0.00 64.86 65.55 3a8p h ILE 675 Cb 0.34 -0.01 -0.02 0.00 -0.74 0.00 0.00 36.82 36.39 3a8p h ILE 675 CO 0.01 0.18 0.08 0.03 0.00 0.00 0.00 178.15 178.44 3a8p h ARG 676 N 1.00 0.64 -0.27 2.37 3.08 -0.70 -0.67 114.38 119.83 3a8p h ARG 676 Ca 0.35 -0.12 -0.05 0.00 0.07 0.00 0.00 59.98 60.23 3a8p h ARG 676 Cb 0.09 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 3a8p h ARG 676 CO -0.15 0.61 -0.04 0.37 -1.07 0.00 0.00 179.97 179.69 3a8p h GLN 677 N 0.62 0.51 -0.92 0.04 5.75 -0.72 0.31 115.11 120.71 3a8p h GLN 677 Ca 0.14 -0.18 0.07 0.00 -0.15 0.00 0.00 58.65 58.52 3a8p h GLN 677 Cb 0.28 -0.03 -0.07 0.00 1.07 0.00 0.00 27.48 28.73 3a8p h GLN 677 CO 0.00 0.70 0.58 -1.49 -2.65 0.00 0.00 178.83 175.97 3a8p h TRP 678 N 0.27 1.06 -0.56 3.99 -0.00 -0.82 0.17 115.95 120.06 3a8p h TRP 678 Ca 0.07 0.03 -0.10 0.00 -0.00 0.00 0.00 58.89 58.90 3a8p h TRP 678 Cb 0.50 -0.34 -0.02 0.00 -0.00 0.00 0.00 29.16 29.30 3a8p h TRP 678 CO 0.05 0.53 -0.03 1.49 -0.00 0.00 0.00 178.44 180.48 3a8p h GLU 679 N 1.04 1.01 -0.32 0.49 4.81 -0.81 -1.76 114.58 119.03 3a8p h GLU 679 Ca 0.40 -0.33 -0.17 0.00 -0.13 0.00 0.00 59.36 59.13 3a8p h GLU 679 Cb 0.20 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.49 3a8p h GLU 679 CO -0.18 1.01 -0.47 1.96 -0.73 0.00 0.00 179.01 180.60 3a8p h GLN 680 N 0.89 0.87 -0.81 1.92 4.20 -0.15 -2.47 115.11 119.55 3a8p h GLN 680 Ca 0.16 -0.51 0.01 0.00 0.06 0.00 0.00 58.65 58.37 3a8p h GLN 680 Cb 0.58 0.04 -0.04 0.00 0.30 0.00 0.00 27.48 28.36 3a8p h GLN 680 CO 0.03 1.15 0.54 -0.91 -0.67 0.00 0.00 178.83 178.97 3a8p h ASN 681 N 0.69 0.93 -0.26 1.46 2.35 -0.55 -1.99 115.58 118.20 3a8p h ASN 681 Ca 0.03 -0.02 -0.10 0.00 -0.55 0.00 0.00 56.30 55.66 3a8p h ASN 681 Cb 1.07 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 39.19 3a8p h ASN 681 CO 0.11 0.67 -0.16 -0.07 -1.65 0.00 0.00 177.43 176.32 3a8p h LEU 682 N 1.09 0.70 -0.53 1.61 3.38 -1.13 -1.01 115.31 119.42 3a8p h LEU 682 Ca 0.30 -0.22 -0.10 0.00 0.09 0.00 0.00 57.88 57.95 3a8p h LEU 682 Cb -0.11 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.43 3a8p h LEU 682 CO -0.07 0.87 -0.06 -0.33 0.09 0.00 0.00 178.44 178.94 3a8p h GLU 683 N 0.63 0.98 -0.39 1.13 5.08 -0.95 -1.26 114.58 119.79 3a8p h GLU 683 Ca 0.10 -0.34 -0.02 0.00 -1.00 0.00 0.00 59.36 58.10 3a8p h GLU 683 Cb 0.63 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.79 3a8p h GLU 683 CO 0.04 1.01 0.16 -0.22 -1.00 0.00 0.00 179.01 179.00 3a8p h LYS 684 N 0.85 0.59 -0.67 2.33 1.63 -1.17 0.96 116.57 121.08 3a8p h LYS 684 Ca 0.14 -0.11 -0.01 0.00 -0.85 0.00 0.00 60.65 59.82 3a8p h LYS 684 Cb 0.61 -0.10 -0.03 0.00 -0.60 0.00 0.00 32.23 32.11 3a8p h LYS 684 CO 0.04 0.56 0.37 0.74 -3.45 0.00 0.00 179.45 177.70 3a8p h PHE 685 N 0.49 0.92 -0.48 1.91 0.04 -0.98 0.18 116.94 119.01 3a8p h PHE 685 Ca 0.13 -0.02 -0.06 0.00 2.80 0.00 0.00 57.97 60.82 3a8p h PHE 685 Cb 0.19 -0.29 -0.02 0.00 2.20 0.00 0.00 35.95 38.02 3a8p h PHE 685 CO -0.00 0.66 0.06 0.45 -0.60 0.00 0.00 178.31 178.88 3a8p h HIS 686 N 0.92 0.79 -0.26 -0.55 3.86 -0.98 0.79 115.15 119.71 3a8p h HIS 686 Ca 0.24 -0.09 -0.07 0.00 -1.16 0.00 0.00 60.37 59.29 3a8p h HIS 686 Cb 0.04 -0.23 -0.01 0.00 1.06 0.00 0.00 27.41 28.28 3a8p h HIS 686 CO -0.01 0.70 -0.12 1.98 0.86 0.00 0.00 177.93 181.34 3a8p h MET 687 N 0.72 0.55 -0.75 2.45 1.85 0.05 -1.38 114.93 118.42 3a8p h MET 687 Ca 0.15 -0.24 -0.06 0.00 -0.61 0.00 0.00 59.70 58.95 3a8p h MET 687 Cb 0.35 -0.02 -0.03 0.00 0.43 0.00 0.00 31.60 32.33 3a8p h MET 687 CO 0.01 0.80 0.25 -0.44 -0.40 0.00 0.00 176.91 177.12 3a8p h ASP 688 N 0.28 1.08 -0.56 1.39 3.32 -0.41 -1.08 116.42 120.45 3a8p h ASP 688 Ca 0.06 -0.20 -0.00 0.00 0.02 0.00 0.00 57.03 56.90 3a8p h ASP 688 Cb 0.63 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.87 3a8p h ASP 688 CO 0.04 1.00 0.34 0.25 -1.72 0.00 0.00 179.24 179.14 3a8p h LEU 689 N 1.11 0.68 -0.33 1.55 5.85 -0.69 0.68 115.31 124.16 3a8p h LEU 689 Ca 0.24 -0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.89 3a8p h LEU 689 Cb 0.29 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 3a8p h LEU 689 CO -0.01 0.54 0.15 0.15 -0.34 0.00 0.00 178.44 178.93 3a8p h PHE 690 N 0.76 0.49 -0.46 1.25 3.57 -0.91 -1.57 116.94 120.08 3a8p h PHE 690 Ca 0.20 -0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.68 3a8p h PHE 690 Cb -0.01 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 38.55 3a8p h PHE 690 CO -0.02 0.44 0.29 -0.09 -2.23 0.00 0.00 178.31 176.69 3a8p h ARG 691 N 0.40 0.58 -0.98 1.11 2.43 -0.88 -0.48 114.38 116.55 3a8p h ARG 691 Ca 0.11 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 3a8p h ARG 691 Cb 0.14 -0.13 -0.05 0.00 -0.42 0.00 0.00 29.97 29.51 3a8p h ARG 691 CO -0.01 0.38 0.63 0.52 -1.51 0.00 0.00 179.97 179.98 3a8p h MET 692 N 0.59 1.30 -0.13 0.20 2.86 -0.65 -1.54 114.93 117.57 3a8p h MET 692 Ca 0.17 -0.09 -0.11 0.00 -2.06 0.00 0.00 59.70 57.61 3a8p h MET 692 Cb -0.04 -0.29 -0.01 0.00 0.06 0.00 0.00 31.60 31.32 3a8p h MET 692 CO -0.05 0.88 -0.39 0.00 1.06 0.00 0.00 176.91 178.40 3a8p h ARG 693 N 1.34 0.28 -0.34 1.72 3.08 -0.69 -1.33 114.38 118.44 3a8p h ARG 693 Ca 0.36 -0.13 -0.03 0.00 0.07 0.00 0.00 59.98 60.25 3a8p h ARG 693 Cb -0.12 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 29.91 3a8p h ARG 693 CO -0.07 0.63 0.10 0.00 -1.07 0.00 0.00 179.97 179.56 3a8p h TYR 695 N 0.39 0.10 -0.62 0.00 0.05 -1.07 -1.12 116.97 114.70 3a8p h TYR 695 Ca 0.11 -0.00 0.04 0.00 0.05 0.00 0.00 58.73 58.93 3a8p h TYR 695 Cb 0.26 -0.03 -0.05 0.00 1.01 0.00 0.00 36.73 37.93 3a8p h TYR 695 CO 0.01 0.15 0.36 -0.07 -1.05 0.00 0.00 178.16 177.55 3a8p h LEU 696 N 0.02 0.55 -0.60 3.88 3.38 -1.10 -0.96 115.31 120.48 3a8p h LEU 696 Ca 0.02 0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 3a8p h LEU 696 Cb 0.08 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 3a8p h LEU 696 CO -0.00 0.37 0.20 0.00 0.09 0.00 0.00 178.44 179.09 3a8p h ALA 697 N 1.30 0.79 -0.03 1.53 0.00 -0.71 -1.40 119.26 120.74 3a8p h ALA 697 Ca 0.26 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 3a8p h ALA 697 Cb 0.10 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3a8p h ALA 697 CO -0.14 0.45 -0.39 0.77 0.00 0.00 0.00 179.25 179.94 3a8p h SER 698 N 0.86 0.06 1.42 0.00 0.02 -0.75 -0.40 113.55 114.76 3a8p h SER 698 Ca 0.20 -0.02 -0.12 0.00 -0.84 0.00 0.00 61.79 61.00 3a8p h SER 698 Cb 0.28 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 62.78 3a8p h SER 698 CO -0.01 0.45 -0.59 -0.07 -1.14 0.00 0.00 176.83 175.47 3a8p h LEU 699 N 0.05 0.00 -2.31 5.07 3.38 -0.89 -3.33 115.31 117.29 3a8p h LEU 699 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3a8p h LEU 699 Cb 0.71 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.46 3a8p h LEU 699 CO 0.05 0.56 0.00 0.00 0.09 0.00 0.00 178.44 179.14 3a8p n GLN 700 N -3.23 2.16 -1.29 1.13 6.02 -0.55 -4.98 117.38 116.64 3a8p n GLN 700 Ca 0.01 -1.97 -0.10 0.00 -0.01 0.00 0.00 57.00 54.94 3a8p n GLN 700 Cb 0.76 -1.37 -0.04 0.00 1.02 0.00 0.00 30.24 30.61 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 1.00 1.16 3.99 1.08 0.00 -0.30 -5.02 105.19 107.10 3a8p n GLY 701 Ca 0.14 -0.55 -0.22 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.87 1.78 0.22 -0.02 0.00 -0.41 -5.03 107.32 100.99 3a8p s GLY 702 Ca 0.00 -1.68 -0.30 0.00 0.00 0.00 0.00 44.72 42.74 3a8p s GLY 702 CO 0.00 -1.21 1.14 1.85 0.00 0.00 0.00 173.10 174.88 3a8p s GLU 703 N -4.96 4.56 0.72 2.90 2.12 -1.26 -4.61 118.70 118.18 3a8p s GLU 703 Ca 0.63 1.82 -0.15 0.00 0.36 0.00 0.00 54.97 57.64 3a8p s GLU 703 Cb -0.07 -3.22 0.03 0.00 0.26 0.00 0.00 34.13 31.13 3a8p s GLU 703 CO 0.42 0.06 1.18 -0.51 -0.54 0.00 0.00 175.26 175.87 3a8p s LEU 704 N -0.77 3.32 0.45 2.70 1.43 -1.26 -4.85 118.68 119.70 3a8p s LEU 704 Ca 0.49 2.27 -0.25 0.00 -1.03 0.00 0.00 54.13 55.60 3a8p s LEU 704 Cb -0.32 -4.58 -0.08 0.00 0.03 0.00 0.00 46.19 41.24 3a8p s LEU 704 CO 0.38 -2.15 1.44 -2.16 0.23 0.00 0.00 176.35 174.10 3a8p s PRO 705 N -3.97 3.67 -0.14 1.29 0.04 -1.26 -4.89 135.00 129.74 3a8p s PRO 705 Ca 0.72 2.45 -0.29 0.00 0.04 0.00 0.00 61.00 63.92 3a8p s PRO 705 Cb -0.27 -2.66 -0.06 0.00 0.04 0.00 0.00 34.50 31.56 3a8p s PRO 705 CO 0.45 -0.84 2.02 1.21 0.04 0.00 0.00 177.00 179.87 3a8p s ASN 706 N -0.47 5.95 0.45 6.66 3.84 -1.26 -4.88 114.94 125.22 3a8p s ASN 706 Ca 0.61 2.07 0.11 0.00 0.21 0.00 0.00 52.86 55.86 3a8p s ASN 706 Cb -0.44 -2.52 1.01 0.00 -0.55 0.00 0.00 41.25 38.75 3a8p s ASN 706 CO 0.57 -1.54 2.07 1.55 -2.79 0.00 0.00 177.10 176.96 3a8p h PRO 707 N 12.80 0.26 -0.30 0.43 0.13 -2.01 -2.17 132.00 141.13 3a8p h PRO 707 Ca -0.42 -0.02 0.02 0.00 -0.87 0.00 0.00 66.00 64.71 3a8p h PRO 707 Cb 1.22 -0.05 -0.02 0.00 0.13 0.00 0.00 31.00 32.28 3a8p h PRO 707 CO 0.96 0.22 0.20 0.87 -0.23 0.00 0.00 178.00 180.02 3a8p h LYS 708 N 0.26 0.32 -0.13 0.86 1.79 -1.99 -1.05 116.57 116.63 3a8p h LYS 708 Ca 0.07 -0.02 -0.10 0.00 -2.18 0.00 0.00 60.65 58.42 3a8p h LYS 708 Cb 0.05 -0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 30.62 3a8p h LYS 708 CO -0.01 0.21 -0.36 0.77 -1.08 0.00 0.00 179.45 178.99 3a8p h SER 709 N 0.33 0.28 0.00 0.86 0.02 -1.78 -2.66 113.55 110.60 3a8p h SER 709 Ca 0.12 -0.11 -0.23 0.00 -0.84 0.00 0.00 61.79 60.73 3a8p h SER 709 Cb 0.08 -0.08 0.02 0.00 0.14 0.00 0.00 62.40 62.56 3a8p h SER 709 CO -0.03 0.63 -0.91 0.25 -1.14 0.00 0.00 176.83 175.63 3a8p h LEU 710 N 0.24 0.80 -1.75 5.07 5.85 -1.29 -3.22 115.31 121.00 3a8p h LEU 710 Ca 0.03 -0.75 0.00 0.00 0.84 0.00 0.00 57.88 58.00 3a8p h LEU 710 Cb 0.75 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.53 3a8p h LEU 710 CO 0.06 1.44 0.00 -0.07 -0.34 0.00 0.00 178.44 179.53 3a8p h LEU 711 N 0.24 0.00 -0.43 2.25 3.38 -1.19 -0.57 115.31 119.00 3a8p h LEU 711 Ca -0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.86 3a8p h LEU 711 Cb 1.58 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.33 3a8p h LEU 711 CO 0.18 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.71 3a8p n ALA 712 N -1.95 1.82 1.10 1.53 0.00 -1.01 -2.48 120.51 119.52 3a8p n ALA 712 Ca -0.01 0.04 0.12 0.00 0.00 0.00 0.00 53.44 53.59 3a8p n ALA 712 Cb 0.16 -1.39 0.15 0.00 0.00 0.00 0.00 19.45 18.38 3a8p n ALA 712 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3a8p n ALA 713 N -1.73 3.45 -2.08 0.00 0.00 -0.22 -4.92 120.51 115.00 3a8p n ALA 713 Ca 0.03 -0.53 -0.42 0.00 0.00 0.00 0.00 53.44 52.52 3a8p n ALA 713 Cb 0.27 -0.94 -0.03 0.00 0.00 0.00 0.00 19.45 18.75 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 -2.54 3.14 0.81 0.00 2.01 -1.03 -4.79 115.64 113.24 3a8p s THR 714 Ca 0.20 0.77 -0.11 0.00 0.31 0.00 0.00 61.69 62.85 3a8p s THR 714 Cb 0.18 -3.49 0.08 0.00 0.01 0.00 0.00 72.50 69.28 3a8p s THR 714 CO 0.58 0.04 1.09 -0.94 -0.69 0.00 0.00 174.62 174.70 3a8p s SER 715 N 1.39 4.26 0.13 3.53 1.04 -1.26 -4.79 113.70 118.00 3a8p s SER 715 Ca 0.67 1.49 -0.19 0.00 0.48 0.00 0.00 55.95 58.40 3a8p s SER 715 Cb -0.38 -2.22 -0.03 0.00 0.10 0.00 0.00 66.02 63.49 3a8p s SER 715 CO 0.30 -2.14 1.75 0.03 0.98 0.00 0.00 173.24 174.16 3a8p h ARG 716 N -1.21 0.18 -0.74 4.02 3.08 -1.99 0.22 114.38 117.94 3a8p h ARG 716 Ca -0.47 -0.01 0.07 0.00 0.07 0.00 0.00 59.98 59.64 3a8p h ARG 716 Cb 1.26 -0.04 -0.06 0.00 0.08 0.00 0.00 29.97 31.21 3a8p h ARG 716 CO 0.56 0.12 0.41 -1.35 -1.07 0.00 0.00 179.97 178.64 3a8p h PRO 717 N 0.18 0.71 -0.45 0.04 0.11 -2.00 -0.71 132.00 129.89 3a8p h PRO 717 Ca 0.10 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.15 3a8p h PRO 717 Cb 0.07 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 30.99 3a8p h PRO 717 CO -0.10 0.47 0.22 0.77 -0.21 0.00 0.00 178.00 179.15 3a8p h SER 718 N 0.73 0.58 -0.90 -2.05 0.02 -1.75 -1.51 113.55 108.67 3a8p h SER 718 Ca 0.34 -0.12 -0.00 0.00 -0.84 0.00 0.00 61.79 61.17 3a8p h SER 718 Cb 0.26 -0.15 -0.04 0.00 0.14 0.00 0.00 62.40 62.61 3a8p h SER 718 CO -0.21 0.54 0.55 0.50 -1.14 0.00 0.00 176.83 177.07 3a8p h LYS 719 N 0.58 1.21 -0.63 3.45 3.64 -0.24 0.21 116.57 124.78 3a8p h LYS 719 Ca 0.15 -0.10 -0.05 0.00 -1.27 0.00 0.00 60.65 59.39 3a8p h LYS 719 Cb 0.10 -0.26 -0.03 0.00 -0.41 0.00 0.00 32.23 31.64 3a8p h LYS 719 CO -0.02 0.84 0.21 -0.07 -2.27 0.00 0.00 179.45 178.14 3a8p h LEU 720 N 1.23 0.91 -0.42 5.20 4.07 -0.84 0.22 115.31 125.67 3a8p h LEU 720 Ca 0.32 -0.20 -0.05 0.00 0.08 0.00 0.00 57.88 58.04 3a8p h LEU 720 Cb -0.07 -0.24 -0.02 0.00 1.08 0.00 0.00 40.66 41.41 3a8p h LEU 720 CO -0.06 0.86 0.07 0.00 -1.08 0.00 0.00 178.44 178.23 3a8p h ALA 721 N 1.08 0.56 -0.33 1.53 0.00 -0.75 -0.25 119.26 121.10 3a8p h ALA 721 Ca 0.21 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 3a8p h ALA 721 Cb 0.27 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3a8p h ALA 721 CO -0.01 0.28 -0.09 -0.07 0.00 0.00 0.00 179.25 179.35 3a8p h LEU 722 N 0.56 0.54 -0.83 0.00 3.38 -0.74 -1.17 115.31 117.04 3a8p h LEU 722 Ca 0.13 -0.13 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 3a8p h LEU 722 Cb 0.37 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 3a8p h LEU 722 CO 0.01 0.67 0.11 1.23 0.09 0.00 0.00 178.44 180.55 3a8p h GLY 723 N 0.93 1.06 2.00 0.83 0.00 -0.05 -1.31 103.07 106.52 3a8p h GLY 723 Ca 0.10 -0.67 -0.11 0.00 0.00 0.00 0.00 47.33 46.65 3a8p h GLY 723 CO 0.03 0.62 -0.53 3.21 0.00 0.00 0.00 176.54 179.87 3a8p h ARG 724 N 0.93 0.00 -0.31 4.80 3.08 -0.52 -2.85 114.38 119.51 3a8p h ARG 724 Ca 0.19 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.22 3a8p h ARG 724 Cb 0.39 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.42 3a8p h ARG 724 CO 0.01 0.53 0.11 1.25 -1.07 0.00 0.00 179.97 180.80 3a8p h LEU 725 N 0.00 0.44 0.00 3.04 6.46 -0.57 -3.47 115.31 121.21 3a8p h LEU 725 Ca -0.01 -0.19 0.00 0.00 -0.12 0.00 0.00 57.88 57.57 3a8p h LEU 725 Cb 0.99 -0.11 0.00 0.00 -0.73 0.00 0.00 40.66 40.81 3a8p h LEU 725 CO 0.07 0.51 0.00 0.61 -0.62 0.00 0.00 178.44 179.01 3a8p n GLY 726 N -0.68 0.87 2.81 3.75 0.00 -0.56 -4.72 105.19 106.67 3a8p n GLY 726 Ca -0.02 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.76 3a8p n GLY 726 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3a8p s VAL 727 N -2.00 0.57 -0.32 1.61 1.01 -1.14 -5.03 120.40 115.10 3a8p s VAL 727 Ca 0.00 -0.01 0.03 0.00 0.00 0.00 0.00 61.98 62.00 3a8p s VAL 727 Cb 0.00 -0.69 0.09 0.00 0.00 0.00 0.00 36.38 35.78 3a8p s VAL 727 CO 0.00 0.29 0.03 -0.22 0.00 0.00 0.00 175.10 175.19 3a8p s LEU 728 N 1.89 4.28 0.38 3.92 0.20 -1.26 -4.61 118.68 123.48 3a8p s LEU 728 Ca 0.05 -1.96 -0.16 0.00 0.69 0.00 0.00 54.13 52.75 3a8p s LEU 728 Cb -0.12 -1.54 0.05 0.00 -0.43 0.00 0.00 46.19 44.15 3a8p s LEU 728 CO -0.06 -0.35 0.78 -0.94 -0.29 0.00 0.00 176.35 175.50 3a8p s SER 729 N 1.01 0.00 0.21 3.68 1.04 -1.26 -5.01 113.70 113.37 3a8p s SER 729 Ca 0.07 -1.13 -0.10 0.00 0.48 0.00 0.00 55.95 55.28 3a8p s SER 729 Cb -0.19 0.85 0.19 0.00 0.10 0.00 0.00 66.02 66.97 3a8p s SER 729 CO -0.09 -1.68 1.86 0.58 0.98 0.00 0.00 173.24 174.90 3a8p h VAL 730 N 2.00 1.13 -0.31 5.02 2.07 -1.98 -0.07 116.25 124.11 3a8p h VAL 730 Ca -0.32 -0.32 -0.01 0.00 0.82 0.00 0.00 66.70 66.87 3a8p h VAL 730 Cb 1.25 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 3a8p h VAL 730 CO 0.40 0.17 0.18 0.28 0.02 0.00 0.00 177.57 178.62 3a8p h SER 731 N 0.94 0.39 0.30 0.57 0.02 -1.95 0.15 113.55 113.97 3a8p h SER 731 Ca 0.29 -0.08 -0.14 0.00 -0.84 0.00 0.00 61.79 61.02 3a8p h SER 731 Cb -0.02 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.41 3a8p h SER 731 CO -0.10 0.36 -0.56 0.77 -1.14 0.00 0.00 176.83 176.16 3a8p h SER 732 N 0.39 0.30 -0.70 3.07 4.64 -1.83 -1.51 113.55 117.92 3a8p h SER 732 Ca 0.11 -0.16 -0.07 0.00 -0.47 0.00 0.00 61.79 61.20 3a8p h SER 732 Cb 0.05 -0.09 -0.03 0.00 -0.31 0.00 0.00 62.40 62.02 3a8p h SER 732 CO -0.02 0.80 0.16 0.15 -0.87 0.00 0.00 176.83 177.05 3a8p h PHE 733 N 0.21 1.18 -0.31 4.77 3.57 -0.66 0.79 116.94 126.49 3a8p h PHE 733 Ca 0.00 -0.14 -0.02 0.00 3.53 0.00 0.00 57.97 61.34 3a8p h PHE 733 Cb 1.04 -0.33 -0.01 0.00 2.79 0.00 0.00 35.95 39.44 3a8p h PHE 733 CO 0.02 0.96 0.13 1.25 -2.23 0.00 0.00 178.31 178.44 3a8p h HIS 734 N 1.06 0.47 -0.89 0.41 2.76 -0.48 -0.91 115.15 117.57 3a8p h HIS 734 Ca 0.22 -0.03 0.02 0.00 -2.20 0.00 0.00 60.37 58.38 3a8p h HIS 734 Cb 0.38 -0.14 -0.05 0.00 1.55 0.00 0.00 27.41 29.15 3a8p h HIS 734 CO 0.03 0.44 0.59 0.00 -1.30 0.00 0.00 177.93 177.69 3a8p h ALA 735 N 0.98 1.40 -0.38 5.26 0.00 -0.78 -0.52 119.26 125.23 3a8p h ALA 735 Ca 0.10 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 3a8p h ALA 735 Cb 0.17 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3a8p h ALA 735 CO -0.01 0.53 0.06 1.25 0.00 0.00 0.00 179.25 181.08 3a8p h LEU 736 N 1.16 0.61 -1.06 0.00 5.85 -0.38 -1.16 115.31 120.34 3a8p h LEU 736 Ca 0.34 -0.26 -0.03 0.00 0.84 0.00 0.00 57.88 58.76 3a8p h LEU 736 Cb -0.06 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 40.78 3a8p h LEU 736 CO -0.09 0.72 0.27 0.58 -0.34 0.00 0.00 178.44 179.58 3a8p h VAL 737 N 0.48 1.22 -0.29 1.05 2.07 -0.59 -2.55 116.25 117.63 3a8p h VAL 737 Ca 0.11 -0.68 -0.11 0.00 0.82 0.00 0.00 66.70 66.84 3a8p h VAL 737 Cb 0.37 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.57 3a8p h VAL 737 CO 0.01 0.28 -0.30 0.00 0.02 0.00 0.00 177.57 177.58 3a8p h SER 739 N 0.51 0.00 0.19 0.00 4.64 -0.78 0.27 113.55 118.38 3a8p h SER 739 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 3a8p h SER 739 Cb 0.77 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.86 3a8p h SER 739 CO 0.06 0.00 -0.17 0.54 -0.87 0.00 0.00 176.83 176.39 3a8p n ARG 740 N -2.88 1.02 0.00 4.77 1.74 -1.04 -4.97 116.66 115.30 3a8p n ARG 740 Ca -0.02 -0.56 0.15 0.00 -0.77 0.00 0.00 57.85 56.65 3a8p n ARG 740 Cb 0.10 -1.49 0.77 0.00 -1.02 0.00 0.00 32.46 30.81 3a8p n ARG 740 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86