#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hm8 h ARG 480 N 0.00 0.00 0.03 -1.46 9.65 -2.00 -3.19 114.38 117.41 3hm8 h ARG 480 Ca 0.00 0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 58.88 3hm8 h ARG 480 Cb 0.00 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.58 3hm8 h ARG 480 CO 0.00 0.00 -0.01 0.00 2.80 0.00 0.00 179.97 182.76 3hm8 h ARG 481 N 0.00 -0.03 -0.44 0.20 -0.00 -2.05 -2.31 114.38 109.74 3hm8 h ARG 481 Ca 0.00 0.00 0.04 0.00 -0.50 0.00 0.00 59.98 59.52 3hm8 h ARG 481 Cb 0.59 0.01 -0.04 0.00 0.00 0.00 0.00 29.97 30.52 3hm8 h ARG 481 CO 0.00 0.14 0.20 1.37 0.00 0.00 0.00 179.97 181.68 3hm8 h LEU 482 N -0.20 0.27 -0.65 3.04 -0.00 -1.98 -0.22 115.31 115.56 3hm8 h LEU 482 Ca -0.00 0.03 0.11 0.00 -0.00 0.00 0.00 57.88 58.02 3hm8 h LEU 482 Cb 0.19 -0.02 -0.08 0.00 -0.00 0.00 0.00 40.66 40.75 3hm8 h LEU 482 CO 0.01 0.20 0.23 0.25 -0.00 0.00 0.00 178.44 179.13 3hm8 h LEU 483 N 0.41 0.21 -0.18 0.17 5.85 -1.56 0.19 115.31 120.39 3hm8 h LEU 483 Ca 0.20 0.09 -0.12 0.00 0.84 0.00 0.00 57.88 58.89 3hm8 h LEU 483 Cb 0.13 0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.24 3hm8 h LEU 483 CO -0.16 0.11 -0.36 -0.33 -0.34 0.00 0.00 178.44 177.36 3hm8 h GLU 484 N 0.40 0.57 -0.59 1.25 4.39 -1.09 -1.74 114.58 117.77 3hm8 h GLU 484 Ca 0.34 -0.37 0.11 0.00 0.34 0.00 0.00 59.36 59.78 3hm8 h GLU 484 Cb 0.46 0.05 -0.08 0.00 -0.10 0.00 0.00 28.75 29.08 3hm8 h GLU 484 CO -0.35 0.98 0.15 0.93 -1.16 0.00 0.00 179.01 179.56 3hm8 h GLU 485 N 0.23 0.28 -0.35 2.33 3.07 -0.44 0.12 114.58 119.82 3hm8 h GLU 485 Ca 0.01 -0.02 -0.02 0.00 -0.50 0.00 0.00 59.36 58.83 3hm8 h GLU 485 Cb 0.96 -0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 28.79 3hm8 h GLU 485 CO 0.08 0.18 0.15 1.15 -1.40 0.00 0.00 179.01 179.17 3hm8 h THR 486 N 0.29 1.18 0.00 1.13 2.02 -0.58 -3.06 112.91 113.89 3hm8 h THR 486 Ca 0.31 -0.56 0.00 0.00 0.77 0.00 0.00 66.41 66.93 3hm8 h THR 486 Cb 0.44 0.90 0.00 0.00 -1.74 0.00 0.00 68.15 67.75 3hm8 h THR 486 CO -0.38 0.20 0.00 0.18 0.37 0.00 0.00 175.52 175.89 3hm8 n LEU 487 N -4.69 0.00 -0.23 2.58 4.77 -0.66 -4.27 117.00 114.48 3hm8 n LEU 487 Ca -0.01 0.47 0.03 0.00 -0.03 0.00 0.00 56.01 56.47 3hm8 n LEU 487 Cb 0.13 -0.47 0.13 0.00 -2.33 0.00 0.00 43.42 40.89 3hm8 n LEU 487 CO 0.36 -0.01 0.84 0.00 -1.33 0.00 0.00 177.39 177.25 3hm8 h ALA 488 N 3.04 0.72 0.00 -1.18 0.00 -0.67 -0.99 119.26 120.17 3hm8 h ALA 488 Ca 0.00 0.21 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 3hm8 h ALA 488 Cb 0.45 0.37 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 3hm8 h ALA 488 CO 0.00 -0.40 -0.01 -1.35 0.00 0.00 0.00 179.25 177.48 3hm8 h PRO 489 N 0.12 0.00 -0.00 0.00 0.11 -1.80 -2.10 132.00 128.32 3hm8 h PRO 489 Ca 0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.48 3hm8 h PRO 489 Cb 0.63 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.74 3hm8 h PRO 489 CO -0.60 0.01 -0.08 1.19 -0.21 0.00 0.00 178.00 178.32 3hm8 n PHE 490 N -3.18 0.00 -3.57 0.65 3.72 -0.38 -4.53 117.46 110.16 3hm8 n PHE 490 Ca -0.02 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 56.98 3hm8 n PHE 490 Cb 0.16 -0.15 -0.07 0.00 -0.94 0.00 0.00 39.48 38.48 3hm8 n PHE 490 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 3hm8 s ARG 491 N -2.38 2.91 -0.14 -1.08 0.52 -0.79 -4.16 118.95 113.83 3hm8 s ARG 491 Ca 0.32 -2.44 -0.22 0.00 -0.52 0.00 0.00 55.73 52.87 3hm8 s ARG 491 Cb 0.20 -3.98 -0.03 0.00 0.52 0.00 0.00 34.95 31.66 3hm8 s ARG 491 CO 0.45 -1.22 0.66 -0.51 0.02 0.00 0.00 175.30 174.70 3hm8 s LEU 492 N 0.15 4.23 0.92 2.53 1.43 -1.26 -5.02 118.68 121.66 3hm8 s LEU 492 Ca 0.16 1.00 -0.14 0.00 -1.03 0.00 0.00 54.13 54.12 3hm8 s LEU 492 Cb -0.17 -2.97 0.15 0.00 0.03 0.00 0.00 46.19 43.23 3hm8 s LEU 492 CO -0.05 -0.19 1.20 0.54 0.23 0.00 0.00 176.35 178.08 3hm8 s ASN 493 N 0.97 3.44 0.17 2.29 4.22 -1.26 -4.83 114.94 119.94 3hm8 s ASN 493 Ca 0.33 0.68 -0.14 0.00 -2.14 0.00 0.00 52.86 51.58 3hm8 s ASN 493 Cb -0.16 -1.04 0.13 0.00 1.28 0.00 0.00 41.25 41.46 3hm8 s ASN 493 CO 0.13 -2.57 1.73 -0.74 -2.04 0.00 0.00 177.10 173.62 3hm8 h HIS 494 N -1.52 0.20 -0.60 1.54 -0.00 -1.99 -1.97 115.15 110.81 3hm8 h HIS 494 Ca -0.47 0.02 -0.00 0.00 -0.00 0.00 0.00 60.37 59.92 3hm8 h HIS 494 Cb 1.30 -0.02 -0.03 0.00 -0.00 0.00 0.00 27.41 28.66 3hm8 h HIS 494 CO -0.36 0.05 0.36 -0.44 -0.00 0.00 0.00 177.93 177.54 3hm8 h ASP 495 N 0.26 0.73 0.06 3.26 5.19 -1.99 -0.12 116.42 123.81 3hm8 h ASP 495 Ca 0.21 -0.07 0.00 0.00 -0.62 0.00 0.00 57.03 56.56 3hm8 h ASP 495 Cb 0.24 -0.18 -0.01 0.00 0.18 0.00 0.00 39.33 39.56 3hm8 h ASP 495 CO -0.25 0.58 -0.07 1.56 -3.12 0.00 0.00 179.24 177.95 3hm8 h GLN 496 N 0.82 -0.14 -0.88 3.56 4.20 -1.88 -1.64 115.11 119.15 3hm8 h GLN 496 Ca 0.22 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.94 3hm8 h GLN 496 Cb -0.01 0.03 -0.04 0.00 0.30 0.00 0.00 27.48 27.76 3hm8 h GLN 496 CO -0.04 -0.09 0.56 -0.07 -0.67 0.00 0.00 178.83 178.52 3hm8 h LEU 497 N -0.14 1.03 -0.76 1.46 3.38 -1.07 -1.82 115.31 117.39 3hm8 h LEU 497 Ca 0.01 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3hm8 h LEU 497 Cb 0.15 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.60 3hm8 h LEU 497 CO -0.03 0.77 0.48 0.00 0.09 0.00 0.00 178.44 179.75 3hm8 h ALA 498 N 1.41 0.96 -0.72 1.53 0.00 -0.83 -1.89 119.26 119.72 3hm8 h ALA 498 Ca 0.32 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 3hm8 h ALA 498 Cb -0.10 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.35 3hm8 h ALA 498 CO -0.06 0.40 0.39 0.00 0.00 0.00 0.00 179.25 179.98 3hm8 h ALA 499 N 1.26 1.33 -0.06 0.00 0.00 -0.49 0.24 119.26 121.54 3hm8 h ALA 499 Ca 0.27 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 3hm8 h ALA 499 Cb -0.08 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.41 3hm8 h ALA 499 CO -0.06 0.55 0.03 0.28 0.00 0.00 0.00 179.25 180.05 3hm8 h VAL 500 N 1.01 1.13 -0.36 0.00 2.07 -1.02 0.10 116.25 119.18 3hm8 h VAL 500 Ca 0.26 -0.37 0.06 0.00 0.82 0.00 0.00 66.70 67.46 3hm8 h VAL 500 Cb 0.03 1.26 -0.05 0.00 -1.52 0.00 0.00 31.29 31.01 3hm8 h VAL 500 CO -0.04 0.11 0.03 -0.61 0.02 0.00 0.00 177.57 177.08 3hm8 h GLN 501 N -0.04 0.14 -0.59 1.57 4.15 -0.97 -0.72 115.11 118.64 3hm8 h GLN 501 Ca 0.02 -0.01 0.07 0.00 0.77 0.00 0.00 58.65 59.50 3hm8 h GLN 501 Cb 0.15 -0.03 -0.06 0.00 0.21 0.00 0.00 27.48 27.75 3hm8 h GLN 501 CO -0.00 0.09 0.28 0.00 -1.93 0.00 0.00 178.83 177.27 3hm8 h ALA 502 N 1.29 0.77 0.00 3.38 0.00 -0.16 -0.09 119.26 124.45 3hm8 h ALA 502 Ca 0.17 0.04 -0.13 0.00 0.00 0.00 0.00 54.91 55.00 3hm8 h ALA 502 Cb 0.22 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 3hm8 h ALA 502 CO -0.26 -0.10 -0.60 0.37 0.00 0.00 0.00 179.25 178.66 3hm8 h GLN 503 N 0.51 0.00 -0.18 0.00 4.15 -0.53 -2.05 115.11 117.01 3hm8 h GLN 503 Ca 0.28 0.00 -0.19 0.00 0.77 0.00 0.00 58.65 59.51 3hm8 h GLN 503 Cb 0.25 0.00 0.01 0.00 0.21 0.00 0.00 27.48 27.95 3hm8 h GLN 503 CO -0.22 0.60 -0.61 1.98 -1.93 0.00 0.00 178.83 178.65 3hm8 h MET 504 N 0.00 0.73 -0.95 1.69 4.05 -0.75 -1.47 114.93 118.23 3hm8 h MET 504 Ca -0.01 -0.55 0.10 0.00 -0.28 0.00 0.00 59.70 58.97 3hm8 h MET 504 Cb 1.29 0.10 -0.07 0.00 -0.80 0.00 0.00 31.60 32.11 3hm8 h MET 504 CO 0.08 1.17 0.61 -0.09 0.23 0.00 0.00 176.91 178.91 3hm8 h ARG 505 N 0.45 0.95 -0.15 0.39 9.65 -0.90 0.87 114.38 125.63 3hm8 h ARG 505 Ca -0.02 -0.06 -0.05 0.00 -1.10 0.00 0.00 59.98 58.74 3hm8 h ARG 505 Cb 1.24 -0.22 -0.00 0.00 -1.39 0.00 0.00 29.97 29.60 3hm8 h ARG 505 CO 0.13 0.63 -0.12 -0.22 2.80 0.00 0.00 179.97 183.19 3hm8 h LYS 506 N 0.98 0.35 -0.93 0.20 3.64 -1.28 -2.42 116.57 117.11 3hm8 h LYS 506 Ca 0.45 -0.17 0.07 0.00 -1.27 0.00 0.00 60.65 59.73 3hm8 h LYS 506 Cb 0.39 -0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.14 3hm8 h LYS 506 CO -0.20 0.71 0.60 0.00 -2.27 0.00 0.00 179.45 178.28 3hm8 h ALA 507 N 0.64 1.51 0.06 5.00 0.00 -0.44 -1.18 119.26 124.85 3hm8 h ALA 507 Ca 0.03 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 3hm8 h ALA 507 Cb 0.62 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3hm8 h ALA 507 CO 0.03 0.34 -0.03 0.52 0.00 0.00 0.00 179.25 180.11 3hm8 h MET 508 N 1.04 -0.08 0.06 0.00 2.86 -0.80 -1.42 114.93 116.59 3hm8 h MET 508 Ca 0.41 0.01 0.03 0.00 -2.06 0.00 0.00 59.70 58.08 3hm8 h MET 508 Cb 0.24 0.02 -0.05 0.00 0.06 0.00 0.00 31.60 31.86 3hm8 h MET 508 CO -0.16 0.17 -0.40 0.00 1.06 0.00 0.00 176.91 177.58 3hm8 h ALA 509 N 0.59 -0.67 0.01 6.32 0.00 -0.98 -2.18 119.26 122.35 3hm8 h ALA 509 Ca -0.01 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.87 3hm8 h ALA 509 Cb 0.29 0.69 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 3hm8 h ALA 509 CO 0.01 -0.95 -0.15 0.87 0.00 0.00 0.00 179.25 179.03 3hm8 h LYS 510 N -0.60 -0.25 -0.72 0.00 1.57 -1.22 -2.55 116.57 112.81 3hm8 h LYS 510 Ca 0.04 0.02 0.16 0.00 -1.87 0.00 0.00 60.65 58.99 3hm8 h LYS 510 Cb 0.65 0.06 -0.11 0.00 0.08 0.00 0.00 32.23 32.91 3hm8 h LYS 510 CO -0.27 -0.16 0.13 0.78 -0.57 0.00 0.00 179.45 179.36 3hm8 h GLY 511 N -0.26 0.94 1.45 3.86 0.00 -1.06 -1.07 103.07 106.93 3hm8 h GLY 511 Ca 0.05 -0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.30 3hm8 h GLY 511 CO -0.14 -0.21 -0.07 1.41 0.00 0.00 0.00 176.54 177.53 3hm8 h LEU 512 N 0.22 0.65 -0.00 3.11 3.38 -1.05 -2.45 115.31 119.17 3hm8 h LEU 512 Ca 0.40 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 58.20 3hm8 h LEU 512 Cb 0.68 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.26 3hm8 h LEU 512 CO -0.53 0.76 -0.00 0.54 0.09 0.00 0.00 178.44 179.30 3hm8 n ARG 513 N -4.20 0.37 -0.45 1.13 1.74 -0.68 -1.99 116.66 112.59 3hm8 n ARG 513 Ca 0.01 -0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.09 3hm8 n ARG 513 Cb 0.32 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.26 3hm8 n ARG 513 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hm8 n GLY 514 N 1.32 0.75 3.86 -0.13 0.00 -0.76 -4.92 105.19 105.32 3hm8 n GLY 514 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 3hm8 n GLY 514 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hm8 s GLU 515 N -0.55 1.16 -0.27 1.61 2.02 -0.49 -4.97 118.70 117.21 3hm8 s GLU 515 Ca 0.00 -0.02 -0.29 0.00 0.02 0.00 0.00 54.97 54.68 3hm8 s GLU 515 Cb 0.00 -1.87 -0.01 0.00 0.10 0.00 0.00 34.13 32.35 3hm8 s GLU 515 CO 0.00 -2.12 1.53 0.00 0.02 0.00 0.00 175.26 174.69 3hm8 s ALA 516 N -3.57 3.23 0.16 5.21 0.00 -1.26 -4.12 121.76 121.41 3hm8 s ALA 516 Ca 0.67 0.28 0.05 0.00 0.00 0.00 0.00 51.96 52.96 3hm8 s ALA 516 Cb -0.10 -3.86 -0.04 0.00 0.00 0.00 0.00 23.12 19.12 3hm8 s ALA 516 CO 0.52 -2.02 -0.12 0.45 0.00 0.00 0.00 175.76 174.59 3hm8 s SER 517 N 4.00 2.00 0.00 0.00 0.15 -1.26 -4.80 113.70 113.79 3hm8 s SER 517 Ca 0.67 -0.99 0.25 0.00 0.70 0.00 0.00 55.95 56.58 3hm8 s SER 517 Cb -0.21 -0.05 0.53 0.00 -1.71 0.00 0.00 66.02 64.58 3hm8 s SER 517 CO 0.28 -0.27 1.43 -1.54 1.20 0.00 0.00 173.24 174.34 3hm8 n SER 518 N -0.17 0.48 -4.64 5.45 3.41 -1.26 -4.70 113.62 112.19 3hm8 n SER 518 Ca -0.10 -0.20 -0.39 0.00 -0.26 0.00 0.00 58.87 57.92 3hm8 n SER 518 Cb 0.60 0.22 -0.08 0.00 -0.26 0.00 0.00 64.21 64.69 3hm8 n SER 518 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3hm8 s LEU 519 N -3.04 4.10 0.29 1.04 1.43 -1.26 -3.98 118.68 117.25 3hm8 s LEU 519 Ca 0.11 0.44 0.06 0.00 -1.03 0.00 0.00 54.13 53.71 3hm8 s LEU 519 Cb 0.17 -2.51 0.43 0.00 0.03 0.00 0.00 46.19 44.32 3hm8 s LEU 519 CO 0.69 -0.14 1.69 0.08 0.23 0.00 0.00 176.35 178.90 3hm8 h ARG 520 N 7.73 0.26 -5.86 1.70 -0.00 -1.74 -3.42 114.38 113.04 3hm8 h ARG 520 Ca -0.33 -0.13 -0.35 0.00 -0.00 0.00 0.00 59.98 59.17 3hm8 h ARG 520 Cb 1.16 -0.00 0.13 0.00 -0.00 0.00 0.00 29.97 31.26 3hm8 h ARG 520 CO 0.69 0.64 -0.89 -1.33 -0.00 0.00 0.00 179.97 179.08 3hm8 n MET 521 N -4.02 -2.24 -2.67 0.08 0.00 -1.13 -4.88 117.12 102.25 3hm8 n MET 521 Ca -0.02 0.66 -0.42 0.00 0.00 0.00 0.00 57.70 57.92 3hm8 n MET 521 Cb 0.49 -5.02 -0.03 0.00 0.00 0.00 0.00 33.22 28.66 3hm8 n MET 521 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 3hm8 s LEU 522 N -6.03 4.24 0.28 4.03 1.43 0.70 -4.82 118.68 118.50 3hm8 s LEU 522 Ca 0.40 1.53 -0.30 0.00 -1.03 0.00 0.00 54.13 54.74 3hm8 s LEU 522 Cb -0.10 -3.56 -0.10 0.00 0.03 0.00 0.00 46.19 42.46 3hm8 s LEU 522 CO 0.80 -0.47 1.47 -2.84 0.23 0.00 0.00 176.35 175.53 3hm8 s PRO 523 N 2.12 4.23 0.00 1.29 0.02 -1.26 -0.70 135.00 140.69 3hm8 s PRO 523 Ca 0.48 2.38 0.17 0.00 0.02 0.00 0.00 61.00 64.06 3hm8 s PRO 523 Cb -0.18 -3.07 -0.15 0.00 0.02 0.00 0.00 34.50 31.11 3hm8 s PRO 523 CO 0.17 -0.46 0.75 0.25 -0.33 0.00 0.00 177.00 177.38 3hm8 n THR 524 N 1.96 0.00 -2.48 0.99 -2.24 -0.99 -4.30 114.28 107.22 3hm8 n THR 524 Ca 0.06 -0.14 -0.20 0.00 -2.27 0.00 0.00 64.05 61.50 3hm8 n THR 524 Cb 0.40 1.04 -0.00 0.00 -2.10 0.00 0.00 70.33 69.66 3hm8 n THR 524 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 3hm8 n PHE 525 N -1.18 -1.18 -3.55 4.78 3.01 -1.26 -4.57 117.46 113.50 3hm8 n PHE 525 Ca 0.04 0.06 -0.41 0.00 1.01 0.00 0.00 57.45 58.14 3hm8 n PHE 525 Cb 0.28 -3.80 -0.09 0.00 -0.01 0.00 0.00 39.48 35.86 3hm8 n PHE 525 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 3hm8 s VAL 526 N -2.98 4.47 -2.62 -4.37 1.01 -1.26 -4.64 120.40 110.01 3hm8 s VAL 526 Ca 0.04 -1.32 0.24 0.00 0.00 0.00 0.00 61.98 60.93 3hm8 s VAL 526 Cb -0.02 -3.72 0.37 0.00 0.00 0.00 0.00 36.38 33.02 3hm8 s VAL 526 CO 0.04 -0.53 1.43 0.54 0.00 0.00 0.00 175.10 176.59 3hm8 n ARG 527 N 4.98 2.19 -3.60 2.72 1.74 -1.26 -0.78 116.66 122.66 3hm8 n ARG 527 Ca -0.11 -1.76 -0.13 0.00 -0.77 0.00 0.00 57.85 55.08 3hm8 n ARG 527 Cb 0.43 -1.47 -0.06 0.00 -1.02 0.00 0.00 32.46 30.34 3hm8 n ARG 527 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3hm8 s ALA 528 N -1.79 -1.86 0.86 7.54 0.00 -1.26 -4.51 121.76 120.75 3hm8 s ALA 528 Ca 0.34 1.74 -0.11 0.00 0.00 0.00 0.00 51.96 53.92 3hm8 s ALA 528 Cb 0.21 -0.87 0.11 0.00 0.00 0.00 0.00 23.12 22.56 3hm8 s ALA 528 CO 0.30 -0.31 1.09 0.95 0.00 0.00 0.00 175.76 177.79 3hm8 s THR 529 N -0.31 2.83 -0.57 0.00 -4.23 -1.26 -4.78 115.64 107.32 3hm8 s THR 529 Ca -0.02 0.27 -0.41 0.00 -1.18 0.00 0.00 61.69 60.35 3hm8 s THR 529 Cb -0.03 -2.78 -0.19 0.00 1.34 0.00 0.00 72.50 70.84 3hm8 s THR 529 CO 0.01 -0.35 2.24 -2.65 -0.54 0.00 0.00 174.62 173.33 3hm8 n PRO 530 N -3.77 0.09 -2.84 3.99 -0.02 -1.26 -4.82 135.00 126.36 3hm8 n PRO 530 Ca 0.07 0.02 -0.43 0.00 -2.02 0.00 0.00 63.50 61.14 3hm8 n PRO 530 Cb 0.55 -1.59 -0.03 0.00 -0.02 0.00 0.00 33.50 32.41 3hm8 n PRO 530 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3hm8 s ASP 531 N 6.66 6.58 1.54 2.55 -0.00 -1.26 -4.94 116.67 127.80 3hm8 s ASP 531 Ca 1.22 -1.86 0.00 0.00 -0.00 0.00 0.00 52.55 51.90 3hm8 s ASP 531 Cb -1.40 -2.44 0.00 0.00 -0.00 0.00 0.00 42.92 39.08 3hm8 s ASP 531 CO 0.62 -1.18 0.00 0.61 -0.00 0.00 0.00 175.17 175.21 3hm8 n GLY 532 N 5.80 3.40 3.74 0.21 0.00 -1.26 -4.62 105.19 112.45 3hm8 n GLY 532 Ca 0.25 -0.06 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 3hm8 n GLY 532 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3hm8 s SER 533 N -4.00 7.12 -0.35 1.61 0.15 -1.26 -5.03 113.70 111.94 3hm8 s SER 533 Ca 0.00 1.34 0.02 0.00 0.70 0.00 0.00 55.95 58.02 3hm8 s SER 533 Cb 0.00 -2.44 0.15 0.00 -1.71 0.00 0.00 66.02 62.02 3hm8 s SER 533 CO 0.00 -0.03 0.36 -1.61 1.20 0.00 0.00 173.24 173.15 3hm8 s GLU 534 N 0.26 0.57 0.77 5.44 2.02 -1.26 -5.16 118.70 121.34 3hm8 s GLU 534 Ca 0.38 -0.73 -0.08 0.00 0.02 0.00 0.00 54.97 54.56 3hm8 s GLU 534 Cb -0.19 -0.73 0.10 0.00 0.10 0.00 0.00 34.13 33.41 3hm8 s GLU 534 CO 0.21 -1.16 1.09 1.03 0.02 0.00 0.00 175.26 176.44 3hm8 s ARG 535 N 1.61 1.83 0.00 1.61 1.81 -1.26 -4.75 118.95 119.80 3hm8 s ARG 535 Ca 0.15 -0.34 0.00 0.00 -1.72 0.00 0.00 55.73 53.83 3hm8 s ARG 535 Cb -0.15 -2.10 0.00 0.00 -0.45 0.00 0.00 34.95 32.24 3hm8 s ARG 535 CO -0.09 -1.52 0.00 0.41 -0.68 0.00 0.00 175.30 173.42 3hm8 n GLY 536 N -3.11 4.35 3.35 -3.53 0.00 -0.23 -4.90 105.19 101.12 3hm8 n GLY 536 Ca 0.10 -1.47 -0.35 0.00 0.00 0.00 0.00 46.02 44.30 3hm8 n GLY 536 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hm8 s ASP 537 N 0.00 4.55 0.01 1.61 1.01 -1.26 -0.41 116.67 122.18 3hm8 s ASP 537 Ca 0.00 -0.35 0.05 0.00 0.71 0.00 0.00 52.55 52.97 3hm8 s ASP 537 Cb 0.00 -1.79 -0.02 0.00 1.01 0.00 0.00 42.92 42.12 3hm8 s ASP 537 CO 0.00 -0.03 -0.16 -0.36 0.21 0.00 0.00 175.17 174.83 3hm8 s PHE 538 N 1.52 1.46 0.45 4.23 0.40 0.21 -4.49 117.98 121.76 3hm8 s PHE 538 Ca 0.06 -0.30 -0.09 0.00 -0.60 0.00 0.00 56.93 56.00 3hm8 s PHE 538 Cb -0.15 -0.91 -0.05 0.00 0.51 0.00 0.00 43.02 42.42 3hm8 s PHE 538 CO -0.01 0.01 0.81 -1.17 0.70 0.00 0.00 175.22 175.55 3hm8 s LEU 539 N -0.65 3.70 -0.16 -0.37 2.96 -0.74 -0.00 118.68 123.42 3hm8 s LEU 539 Ca 0.06 1.10 -0.08 0.00 -0.22 0.00 0.00 54.13 54.98 3hm8 s LEU 539 Cb -0.07 -4.02 0.06 0.00 0.50 0.00 0.00 46.19 42.66 3hm8 s LEU 539 CO 0.00 -0.51 0.38 0.00 -1.32 0.00 0.00 176.35 174.90 3hm8 s ALA 540 N -2.58 -0.96 0.05 5.97 0.00 0.15 -0.42 121.76 123.97 3hm8 s ALA 540 Ca 0.50 1.43 -0.00 0.00 0.00 0.00 0.00 51.96 53.89 3hm8 s ALA 540 Cb -0.10 -0.89 -0.04 0.00 0.00 0.00 0.00 23.12 22.08 3hm8 s ALA 540 CO 0.38 -0.28 0.21 -0.51 0.00 0.00 0.00 175.76 175.56 3hm8 s LEU 541 N 1.44 4.36 -0.32 0.00 1.43 -0.76 -0.41 118.68 124.41 3hm8 s LEU 541 Ca -0.09 0.28 -0.02 0.00 -1.03 0.00 0.00 54.13 53.27 3hm8 s LEU 541 Cb -0.09 -2.92 0.12 0.00 0.03 0.00 0.00 46.19 43.33 3hm8 s LEU 541 CO -0.12 0.18 0.20 -0.62 0.23 0.00 0.00 176.35 176.22 3hm8 s ASP 542 N -2.44 2.93 -0.03 2.29 3.68 -0.57 -0.06 116.67 122.48 3hm8 s ASP 542 Ca 0.34 -1.56 0.07 0.00 2.13 0.00 0.00 52.55 53.53 3hm8 s ASP 542 Cb -0.13 -0.19 -0.02 0.00 -1.45 0.00 0.00 42.92 41.13 3hm8 s ASP 542 CO 0.27 -0.37 -0.23 -0.22 0.13 0.00 0.00 175.17 174.74 3hm8 s LEU 543 N 1.72 2.04 0.00 -1.34 2.96 0.10 -2.13 118.68 122.04 3hm8 s LEU 543 Ca 0.13 -0.43 0.00 0.00 -0.22 0.00 0.00 54.13 53.61 3hm8 s LEU 543 Cb -0.18 -1.22 0.00 0.00 0.50 0.00 0.00 46.19 45.29 3hm8 s LEU 543 CO -0.21 0.27 0.00 0.61 -1.32 0.00 0.00 176.35 175.71 3hm8 n GLY 544 N 2.61 1.66 1.34 7.98 0.00 -1.26 -1.37 105.19 116.14 3hm8 n GLY 544 Ca -0.16 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.78 3hm8 n GLY 544 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hm8 n GLY 545 N -0.18 0.36 0.29 -0.02 0.00 -1.26 -4.93 105.19 99.44 3hm8 n GLY 545 Ca 0.00 -1.93 0.11 0.00 0.00 0.00 0.00 46.02 44.20 3hm8 n GLY 545 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3hm8 h THR 546 N -0.61 0.94 -3.72 2.61 1.35 -1.99 -3.40 112.91 108.08 3hm8 h THR 546 Ca -0.12 -0.01 -0.68 0.00 -0.55 0.00 0.00 66.41 65.05 3hm8 h THR 546 Cb 0.42 0.92 -0.30 0.00 -1.73 0.00 0.00 68.15 67.46 3hm8 h THR 546 CO 0.12 0.00 -0.84 0.20 -0.25 0.00 0.00 175.52 174.75 3hm8 s ASN 547 N -6.84 3.42 -0.11 5.36 0.01 -1.26 -5.03 114.94 110.49 3hm8 s ASN 547 Ca -0.05 -0.44 -0.15 0.00 -0.71 0.00 0.00 52.86 51.52 3hm8 s ASN 547 Cb 0.18 -1.13 -0.05 0.00 0.41 0.00 0.00 41.25 40.66 3hm8 s ASN 547 CO 0.69 0.22 0.35 0.12 -1.51 0.00 0.00 177.10 176.97 3hm8 s PHE 548 N -0.02 3.55 -0.05 2.20 5.36 -1.25 -4.63 117.98 123.12 3hm8 s PHE 548 Ca -0.06 0.76 -0.04 0.00 -0.96 0.00 0.00 56.93 56.62 3hm8 s PHE 548 Cb -0.15 -2.35 0.02 0.00 -0.34 0.00 0.00 43.02 40.20 3hm8 s PHE 548 CO 0.05 0.36 0.14 0.50 -1.46 0.00 0.00 175.22 174.80 3hm8 s ARG 549 N 0.02 0.15 -0.06 10.12 3.52 -0.90 -1.04 118.95 130.76 3hm8 s ARG 549 Ca 0.20 0.22 -0.04 0.00 -0.13 0.00 0.00 55.73 55.99 3hm8 s ARG 549 Cb -0.14 0.03 -0.04 0.00 -1.56 0.00 0.00 34.95 33.24 3hm8 s ARG 549 CO 0.08 -0.05 0.14 0.08 -0.81 0.00 0.00 175.30 174.73 3hm8 s VAL 550 N 0.29 5.28 -0.04 7.11 1.01 -0.87 -1.51 120.40 131.66 3hm8 s VAL 550 Ca -0.02 -0.05 -0.04 0.00 0.00 0.00 0.00 61.98 61.87 3hm8 s VAL 550 Cb -0.03 -3.37 0.01 0.00 0.00 0.00 0.00 36.38 32.99 3hm8 s VAL 550 CO -0.01 0.48 0.12 -0.76 0.00 0.00 0.00 175.10 174.92 3hm8 s LEU 551 N -1.44 1.54 -0.20 3.92 1.43 0.45 -1.90 118.68 122.48 3hm8 s LEU 551 Ca 0.20 0.24 -0.06 0.00 -1.03 0.00 0.00 54.13 53.48 3hm8 s LEU 551 Cb -0.12 0.41 -0.03 0.00 0.03 0.00 0.00 46.19 46.47 3hm8 s LEU 551 CO 0.11 -0.04 0.04 -1.48 0.23 0.00 0.00 176.35 175.20 3hm8 s LEU 552 N 0.08 3.56 -0.23 1.79 -0.00 -0.33 0.29 118.68 123.85 3hm8 s LEU 552 Ca -0.00 -0.06 0.01 0.00 -0.00 0.00 0.00 54.13 54.08 3hm8 s LEU 552 Cb -0.01 -1.91 0.05 0.00 -0.00 0.00 0.00 46.19 44.33 3hm8 s LEU 552 CO 0.00 0.11 -0.07 -0.69 -0.00 0.00 0.00 176.35 175.70 3hm8 s VAL 553 N 0.73 1.60 -0.41 1.48 1.01 1.00 -1.63 120.40 124.18 3hm8 s VAL 553 Ca 0.02 -1.19 -0.14 0.00 0.00 0.00 0.00 61.98 60.68 3hm8 s VAL 553 Cb -0.14 -1.80 0.03 0.00 0.00 0.00 0.00 36.38 34.48 3hm8 s VAL 553 CO 0.02 -0.02 0.29 -0.13 0.00 0.00 0.00 175.10 175.27 3hm8 s ARG 554 N 1.38 2.92 -0.27 2.72 0.52 0.29 -0.62 118.95 125.89 3hm8 s ARG 554 Ca -0.05 -1.12 -0.08 0.00 -0.52 0.00 0.00 55.73 53.96 3hm8 s ARG 554 Cb -0.18 -3.94 -0.03 0.00 0.52 0.00 0.00 34.95 31.32 3hm8 s ARG 554 CO -0.07 -0.80 0.11 0.08 0.02 0.00 0.00 175.30 174.64 3hm8 s VAL 555 N 1.63 4.53 0.00 3.52 1.01 0.46 -1.11 120.40 130.44 3hm8 s VAL 555 Ca 0.04 -0.17 0.00 0.00 0.00 0.00 0.00 61.98 61.85 3hm8 s VAL 555 Cb -0.20 -3.17 0.00 0.00 0.00 0.00 0.00 36.38 33.01 3hm8 s VAL 555 CO 0.08 0.27 0.00 0.35 0.00 0.00 0.00 175.10 175.80 3hm8 n THR 556 N 4.96 0.00 -0.13 3.92 -2.24 -1.26 -1.07 114.28 118.46 3hm8 n THR 556 Ca -0.15 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.54 3hm8 n THR 556 Cb 0.51 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.73 3hm8 n THR 556 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 3hm8 h THR 557 N 0.00 1.19 -4.88 4.28 1.35 -1.98 -3.45 112.91 109.42 3hm8 h THR 557 Ca 0.00 -0.59 -0.31 0.00 -0.55 0.00 0.00 66.41 64.96 3hm8 h THR 557 Cb 0.00 0.86 -0.03 0.00 -1.73 0.00 0.00 68.15 67.24 3hm8 h THR 557 CO 0.00 0.21 -0.17 0.61 -0.25 0.00 0.00 175.52 175.93 3hm8 n GLY 558 N -0.77 3.09 3.14 5.82 0.00 -1.26 -5.12 105.19 110.09 3hm8 n GLY 558 Ca -0.00 -2.25 -0.29 0.00 0.00 0.00 0.00 46.02 43.47 3hm8 n GLY 558 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hm8 s VAL 559 N -1.53 1.73 -0.12 1.61 1.01 -1.26 -4.41 120.40 117.43 3hm8 s VAL 559 Ca 0.13 -0.82 0.01 0.00 0.00 0.00 0.00 61.98 61.30 3hm8 s VAL 559 Cb -0.01 -1.52 0.02 0.00 0.00 0.00 0.00 36.38 34.87 3hm8 s VAL 559 CO 0.08 0.49 -0.14 0.00 0.00 0.00 0.00 175.10 175.53 3hm8 s GLN 560 N 0.52 2.14 -0.10 2.72 -2.07 -0.27 -4.98 119.66 117.63 3hm8 s GLN 560 Ca -0.16 -0.52 0.04 0.00 -1.82 0.00 0.00 55.36 52.90 3hm8 s GLN 560 Cb -0.17 -1.91 0.00 0.00 -1.09 0.00 0.00 33.01 29.85 3hm8 s GLN 560 CO 0.06 -0.14 -0.22 0.42 -1.32 0.00 0.00 175.29 174.09 3hm8 s ILE 561 N 1.24 1.90 0.17 3.63 1.01 -1.26 -0.54 121.20 127.34 3hm8 s ILE 561 Ca -0.01 -0.92 0.09 0.00 0.00 0.00 0.00 60.65 59.81 3hm8 s ILE 561 Cb -0.14 -1.66 -0.04 0.00 0.01 0.00 0.00 42.46 40.63 3hm8 s ILE 561 CO -0.05 0.52 -0.13 -0.89 0.00 0.00 0.00 174.94 174.39 3hm8 s THR 562 N 0.46 3.02 0.29 2.92 2.01 -0.65 -5.00 115.64 118.69 3hm8 s THR 562 Ca -0.17 -1.67 -0.20 0.00 0.31 0.00 0.00 61.69 59.96 3hm8 s THR 562 Cb -0.17 -2.47 0.02 0.00 0.01 0.00 0.00 72.50 69.89 3hm8 s THR 562 CO 0.07 -0.06 0.71 -0.94 -0.69 0.00 0.00 174.62 173.71 3hm8 s SER 563 N -2.66 -0.24 -0.24 3.53 1.04 -1.26 -1.18 113.70 112.69 3hm8 s SER 563 Ca 0.23 -0.65 -0.17 0.00 0.48 0.00 0.00 55.95 55.83 3hm8 s SER 563 Cb -0.09 0.73 0.07 0.00 0.10 0.00 0.00 66.02 66.83 3hm8 s SER 563 CO 0.13 -1.36 0.61 -0.70 0.98 0.00 0.00 173.24 172.91 3hm8 s GLU 564 N -3.83 0.66 0.25 4.02 2.12 -0.80 -5.02 118.70 116.11 3hm8 s GLU 564 Ca 0.12 1.01 -0.15 0.00 0.36 0.00 0.00 54.97 56.30 3hm8 s GLU 564 Cb -0.06 0.20 -0.08 0.00 0.26 0.00 0.00 34.13 34.45 3hm8 s GLU 564 CO 0.07 -0.13 0.66 0.42 -0.54 0.00 0.00 175.26 175.75 3hm8 s ILE 565 N 1.07 4.73 0.09 -3.70 1.01 -1.26 -2.05 121.20 121.10 3hm8 s ILE 565 Ca -0.06 0.92 0.04 0.00 0.00 0.00 0.00 60.65 61.55 3hm8 s ILE 565 Cb -0.05 -3.70 -0.03 0.00 0.01 0.00 0.00 42.46 38.69 3hm8 s ILE 565 CO -0.10 0.01 -0.11 -0.31 0.00 0.00 0.00 174.94 174.43 3hm8 s TYR 566 N -1.74 1.11 0.10 3.97 2.02 -0.20 -4.99 117.35 117.61 3hm8 s TYR 566 Ca 0.47 -0.60 -0.23 0.00 -0.37 0.00 0.00 57.07 56.34 3hm8 s TYR 566 Cb -0.13 -0.61 -0.07 0.00 -0.40 0.00 0.00 41.96 40.76 3hm8 s TYR 566 CO 0.19 0.02 0.70 0.45 -1.57 0.00 0.00 175.55 175.35 3hm8 s SER 567 N -2.26 7.23 -0.41 2.29 0.15 -1.26 -3.95 113.70 115.49 3hm8 s SER 567 Ca 0.03 1.46 0.01 0.00 0.70 0.00 0.00 55.95 58.16 3hm8 s SER 567 Cb -0.05 -2.44 0.13 0.00 -1.71 0.00 0.00 66.02 61.95 3hm8 s SER 567 CO 0.01 0.18 0.21 -0.63 1.20 0.00 0.00 173.24 174.21 3hm8 s ILE 568 N -0.83 1.14 0.77 6.45 1.01 -1.26 -5.07 121.20 123.41 3hm8 s ILE 568 Ca 0.34 -2.27 -0.14 0.00 0.00 0.00 0.00 60.65 58.59 3hm8 s ILE 568 Cb -0.21 -1.81 0.06 0.00 0.01 0.00 0.00 42.46 40.51 3hm8 s ILE 568 CO 0.23 -0.88 1.20 -2.84 0.00 0.00 0.00 174.94 172.65 3hm8 s PRO 569 N 0.64 1.91 0.42 2.79 0.02 -1.26 -4.63 135.00 134.89 3hm8 s PRO 569 Ca 0.17 1.72 0.22 0.00 0.02 0.00 0.00 61.00 63.12 3hm8 s PRO 569 Cb -0.23 -1.81 1.18 0.00 0.02 0.00 0.00 34.50 33.66 3hm8 s PRO 569 CO -0.03 -2.00 1.77 1.05 -0.33 0.00 0.00 177.00 177.47 3hm8 h GLU 570 N -0.62 0.31 -0.24 5.54 9.09 -1.97 0.36 114.58 127.06 3hm8 h GLU 570 Ca -0.47 -0.02 0.06 0.00 0.05 0.00 0.00 59.36 58.98 3hm8 h GLU 570 Cb 1.29 -0.07 -0.07 0.00 -1.65 0.00 0.00 28.75 28.25 3hm8 h GLU 570 CO 0.48 0.21 -0.26 1.15 0.05 0.00 0.00 179.01 180.64 3hm8 h THR 571 N 0.32 0.36 -0.14 -1.06 2.02 -1.95 0.27 112.91 112.74 3hm8 h THR 571 Ca 0.59 0.00 -0.22 0.00 0.77 0.00 0.00 66.41 67.55 3hm8 h THR 571 Cb 1.65 0.36 0.01 0.00 -1.74 0.00 0.00 68.15 68.43 3hm8 h THR 571 CO -0.26 0.00 -0.78 0.58 0.37 0.00 0.00 175.52 175.43 3hm8 h VAL 572 N -0.27 1.29 -0.23 3.16 2.07 -0.76 0.12 116.25 121.62 3hm8 h VAL 572 Ca 0.13 -2.01 -0.06 0.00 0.82 0.00 0.00 66.70 65.59 3hm8 h VAL 572 Cb 0.48 2.01 -0.01 0.00 -1.52 0.00 0.00 31.29 32.25 3hm8 h VAL 572 CO -0.39 0.63 -0.11 0.00 0.02 0.00 0.00 177.57 177.72 3hm8 h ALA 573 N 0.62 1.39 -0.29 1.67 0.00 -0.51 -3.01 119.26 119.12 3hm8 h ALA 573 Ca -0.05 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3hm8 h ALA 573 Cb 1.40 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.08 3hm8 h ALA 573 CO 0.16 0.42 0.00 1.04 0.00 0.00 0.00 179.25 180.87 3hm8 n GLN 574 N -4.25 2.89 0.00 0.00 6.02 0.94 -2.08 117.38 120.91 3hm8 n GLN 574 Ca 0.00 -1.96 0.00 0.00 -0.01 0.00 0.00 57.00 55.03 3hm8 n GLN 574 Cb 0.28 -1.23 0.00 0.00 1.02 0.00 0.00 30.24 30.32 3hm8 n GLN 574 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3hm8 n GLY 575 N 0.35 0.81 3.89 1.08 0.00 0.40 -4.40 105.19 107.31 3hm8 n GLY 575 Ca 0.10 -0.06 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 3hm8 n GLY 575 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hm8 s SER 576 N -1.00 6.39 0.24 1.61 1.04 -1.26 -1.43 113.70 119.28 3hm8 s SER 576 Ca 0.00 0.43 -0.05 0.00 0.48 0.00 0.00 55.95 56.82 3hm8 s SER 576 Cb 0.00 -2.05 0.41 0.00 0.10 0.00 0.00 66.02 64.48 3hm8 s SER 576 CO 0.00 0.36 1.78 1.23 0.98 0.00 0.00 173.24 177.59 3hm8 h GLY 577 N 4.59 1.21 0.39 7.32 0.00 -1.44 -0.73 103.07 114.41 3hm8 h GLY 577 Ca -0.53 -0.25 0.04 0.00 0.00 0.00 0.00 47.33 46.59 3hm8 h GLY 577 CO 0.62 0.05 -0.23 0.06 0.00 0.00 0.00 176.54 177.03 3hm8 h GLN 578 N 0.65 -0.32 -0.77 4.80 -0.00 -1.93 -1.85 115.11 115.70 3hm8 h GLN 578 Ca 0.39 0.02 -0.01 0.00 -0.00 0.00 0.00 58.65 59.06 3hm8 h GLN 578 Cb 0.45 0.07 -0.04 0.00 -0.00 0.00 0.00 27.48 27.96 3hm8 h GLN 578 CO -0.29 -0.21 0.45 -0.56 -0.00 0.00 0.00 178.83 178.22 3hm8 h GLN 579 N -0.33 1.05 0.41 0.06 3.07 -1.82 -0.49 115.11 117.06 3hm8 h GLN 579 Ca 0.08 -0.10 -0.01 0.00 0.09 0.00 0.00 58.65 58.71 3hm8 h GLN 579 Cb 0.44 -0.22 -0.02 0.00 0.08 0.00 0.00 27.48 27.76 3hm8 h GLN 579 CO -0.25 0.75 -0.40 1.25 0.09 0.00 0.00 178.83 180.27 3hm8 h LEU 580 N 1.06 -1.10 -0.64 0.06 5.85 -0.72 -0.30 115.31 119.51 3hm8 h LEU 580 Ca 0.27 0.09 -0.08 0.00 0.84 0.00 0.00 57.88 59.01 3hm8 h LEU 580 Cb -0.02 0.37 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 3hm8 h LEU 580 CO -0.05 -0.56 -0.38 -0.26 -0.34 0.00 0.00 178.44 176.86 3hm8 h PHE 581 N -0.83 0.00 -0.06 1.25 0.04 -1.32 -1.45 116.94 114.57 3hm8 h PHE 581 Ca -0.04 0.00 0.01 0.00 2.80 0.00 0.00 57.97 60.75 3hm8 h PHE 581 Cb 0.74 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.87 3hm8 h PHE 581 CO -0.22 0.38 -0.03 -0.44 -0.60 0.00 0.00 178.31 177.40 3hm8 h ASP 582 N 0.00 -0.09 -0.46 2.17 5.19 -0.90 -0.51 116.42 121.82 3hm8 h ASP 582 Ca -0.00 0.02 0.02 0.00 -0.62 0.00 0.00 57.03 56.45 3hm8 h ASP 582 Cb 1.03 0.05 -0.03 0.00 0.18 0.00 0.00 39.33 40.56 3hm8 h ASP 582 CO 0.05 -0.04 0.27 -0.74 -3.12 0.00 0.00 179.24 175.66 3hm8 h HIS 583 N -0.02 0.51 -0.33 4.55 2.76 -0.71 -0.71 115.15 121.19 3hm8 h HIS 583 Ca 0.03 0.02 0.04 0.00 -2.20 0.00 0.00 60.37 58.26 3hm8 h HIS 583 Cb 0.07 -0.16 -0.04 0.00 1.55 0.00 0.00 27.41 28.83 3hm8 h HIS 583 CO -0.13 0.29 0.08 0.82 -1.30 0.00 0.00 177.93 177.69 3hm8 h ILE 584 N 0.55 0.86 -0.03 6.26 2.04 -1.06 -1.95 117.51 124.19 3hm8 h ILE 584 Ca 0.18 -0.07 -0.00 0.00 1.00 0.00 0.00 64.86 65.97 3hm8 h ILE 584 Cb 0.01 0.64 -0.00 0.00 -0.74 0.00 0.00 36.82 36.73 3hm8 h ILE 584 CO -0.08 0.04 0.02 -0.37 0.00 0.00 0.00 178.15 177.75 3hm8 h VAL 585 N 0.20 1.04 -0.88 1.67 -1.51 -0.81 -2.34 116.25 113.62 3hm8 h VAL 585 Ca 0.15 -0.11 0.22 0.00 -1.23 0.00 0.00 66.70 65.73 3hm8 h VAL 585 Cb 0.16 1.07 -0.13 0.00 -2.13 0.00 0.00 31.29 30.25 3hm8 h VAL 585 CO -0.19 0.03 0.35 0.44 -1.23 0.00 0.00 177.57 176.97 3hm8 h ASP 586 N -0.00 0.25 -0.60 4.19 3.32 -0.73 0.14 116.42 122.99 3hm8 h ASP 586 Ca 0.01 0.16 -0.06 0.00 0.02 0.00 0.00 57.03 57.16 3hm8 h ASP 586 Cb 0.04 0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.73 3hm8 h ASP 586 CO -0.00 -0.04 0.14 0.00 -1.72 0.00 0.00 179.24 177.62 3hm8 h ILE 588 N 0.87 0.95 -0.41 0.00 2.04 -0.26 0.34 117.51 121.04 3hm8 h ILE 588 Ca 0.19 -0.15 0.07 0.00 1.00 0.00 0.00 64.86 65.97 3hm8 h ILE 588 Cb 0.36 1.04 -0.06 0.00 -0.74 0.00 0.00 36.82 37.42 3hm8 h ILE 588 CO 0.00 0.04 0.02 -0.37 0.00 0.00 0.00 178.15 177.84 3hm8 h VAL 589 N -0.19 0.71 0.19 1.67 -1.51 -1.04 0.54 116.25 116.62 3hm8 h VAL 589 Ca -0.01 -0.04 0.01 0.00 -1.23 0.00 0.00 66.70 65.43 3hm8 h VAL 589 Cb 0.16 0.57 -0.03 0.00 -2.13 0.00 0.00 31.29 29.86 3hm8 h VAL 589 CO 0.02 0.02 -0.32 -0.78 -1.23 0.00 0.00 177.57 175.29 3hm8 h ASP 590 N 0.13 -0.90 0.25 4.19 3.58 -0.63 0.93 116.42 123.96 3hm8 h ASP 590 Ca 0.20 0.10 0.01 0.00 0.42 0.00 0.00 57.03 57.75 3hm8 h ASP 590 Cb 0.28 0.33 -0.02 0.00 1.72 0.00 0.00 39.33 41.63 3hm8 h ASP 590 CO -0.32 -0.42 -0.28 0.15 -2.88 0.00 0.00 179.24 175.49 3hm8 h PHE 591 N -0.59 -0.76 -0.63 0.28 3.57 0.13 -0.76 116.94 118.18 3hm8 h PHE 591 Ca 0.01 0.01 0.13 0.00 3.53 0.00 0.00 57.97 61.65 3hm8 h PHE 591 Cb 0.58 0.30 -0.10 0.00 2.79 0.00 0.00 35.95 39.53 3hm8 h PHE 591 CO -0.25 -0.40 0.09 1.96 -2.23 0.00 0.00 178.31 177.47 3hm8 h GLN 592 N -0.58 0.20 -0.59 1.11 4.20 0.21 0.32 115.11 119.98 3hm8 h GLN 592 Ca -0.00 -0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.67 3hm8 h GLN 592 Cb 0.54 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.25 3hm8 h GLN 592 CO -0.08 0.13 0.27 1.96 -0.67 0.00 0.00 178.83 180.43 3hm8 h GLN 593 N 0.20 0.84 0.00 1.46 4.20 -0.41 -0.99 115.11 120.41 3hm8 h GLN 593 Ca 0.34 -0.11 -0.07 0.00 0.06 0.00 0.00 58.65 58.87 3hm8 h GLN 593 Cb 0.54 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.15 3hm8 h GLN 593 CO -0.47 0.67 -0.32 0.87 -0.67 0.00 0.00 178.83 178.91 3hm8 h LYS 594 N 0.84 0.00 -0.00 1.46 1.57 0.37 -3.28 116.57 117.53 3hm8 h LYS 594 Ca 0.20 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 3hm8 h LYS 594 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.43 3hm8 h LYS 594 CO -0.02 0.32 -0.87 1.04 -0.57 0.00 0.00 179.45 179.34 3hm8 n GLN 595 N -3.32 0.04 -0.93 3.15 6.02 -0.05 -4.96 117.38 117.32 3hm8 n GLN 595 Ca 0.01 -0.03 0.00 0.00 -0.01 0.00 0.00 57.00 56.97 3hm8 n GLN 595 Cb 0.55 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.31 3hm8 n GLN 595 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3hm8 n GLY 596 N 1.50 0.76 0.16 1.08 0.00 -0.47 -4.93 105.19 103.29 3hm8 n GLY 596 Ca 0.05 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.94 3hm8 n GLY 596 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 173.32 173.49 3hm8 h LEU 597 N 0.00 -0.32 0.00 0.99 -0.00 -1.63 -3.45 115.31 110.91 3hm8 h LEU 597 Ca 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 57.88 57.91 3hm8 h LEU 597 Cb 0.00 0.11 0.00 0.00 -0.00 0.00 0.00 40.66 40.77 3hm8 h LEU 597 CO 0.00 -0.19 0.00 -1.20 -0.00 0.00 0.00 178.44 177.05 3hm8 n SER 598 N -5.24 0.00 -0.03 0.17 7.64 -1.19 -2.23 113.62 112.74 3hm8 n SER 598 Ca -0.08 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.69 3hm8 n SER 598 Cb 0.16 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.38 3hm8 n SER 598 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 3hm8 h GLY 599 N 0.00 0.76 -6.39 0.23 0.00 -1.96 -3.44 103.07 92.27 3hm8 h GLY 599 Ca 0.00 -0.88 -0.61 0.00 0.00 0.00 0.00 47.33 45.84 3hm8 h GLY 599 CO 0.00 0.79 1.33 0.61 0.00 0.00 0.00 176.54 179.27 3hm8 n GLN 600 N -3.98 1.98 -3.10 4.80 10.64 -0.95 -4.93 117.38 121.84 3hm8 n GLN 600 Ca -0.04 0.64 -0.44 0.00 -1.83 0.00 0.00 57.00 55.33 3hm8 n GLN 600 Cb 0.61 -2.88 -0.05 0.00 -0.86 0.00 0.00 30.24 27.07 3hm8 n GLN 600 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.06 173.69 3hm8 s SER 601 N 6.34 6.20 0.48 2.61 1.04 -1.26 -4.98 113.70 124.13 3hm8 s SER 601 Ca 0.99 -1.20 -0.04 0.00 0.48 0.00 0.00 55.95 56.18 3hm8 s SER 601 Cb -0.56 -2.31 -0.02 0.00 0.10 0.00 0.00 66.02 63.23 3hm8 s SER 601 CO 0.44 -1.07 0.76 -0.76 0.98 0.00 0.00 173.24 173.59 3hm8 s LEU 602 N 2.80 3.59 0.09 2.42 1.43 -1.26 -4.70 118.68 123.04 3hm8 s LEU 602 Ca 0.14 0.72 -0.31 0.00 -1.03 0.00 0.00 54.13 53.65 3hm8 s LEU 602 Cb -0.22 -3.62 -0.08 0.00 0.03 0.00 0.00 46.19 42.31 3hm8 s LEU 602 CO 0.09 -0.67 1.50 -2.84 0.23 0.00 0.00 176.35 174.65 3hm8 s PRO 603 N -4.72 4.26 -0.03 1.29 0.02 -1.26 -4.32 135.00 130.25 3hm8 s PRO 603 Ca 0.48 2.17 -0.15 0.00 0.02 0.00 0.00 61.00 63.52 3hm8 s PRO 603 Cb -0.10 -3.40 -0.05 0.00 0.02 0.00 0.00 34.50 30.97 3hm8 s PRO 603 CO 0.43 -0.58 0.41 -1.17 -0.33 0.00 0.00 177.00 175.76 3hm8 s LEU 604 N 1.82 4.44 -0.59 -5.54 0.20 -0.45 -1.78 118.68 116.77 3hm8 s LEU 604 Ca 0.68 0.92 -0.07 0.00 0.69 0.00 0.00 54.13 56.35 3hm8 s LEU 604 Cb -0.38 -2.59 0.15 0.00 -0.43 0.00 0.00 46.19 42.95 3hm8 s LEU 604 CO 0.30 0.27 0.45 -0.83 -0.29 0.00 0.00 176.35 176.25 3hm8 s GLY 605 N -0.75 2.34 -0.60 7.98 0.00 0.44 -1.53 107.32 115.20 3hm8 s GLY 605 Ca 0.24 -2.98 -0.25 0.00 0.00 0.00 0.00 44.72 41.73 3hm8 s GLY 605 CO 0.12 1.13 1.03 -0.12 0.00 0.00 0.00 173.10 175.26 3hm8 s PHE 606 N 0.54 2.67 -0.43 1.90 2.19 0.12 -1.83 117.98 123.13 3hm8 s PHE 606 Ca 0.13 -0.08 -0.26 0.00 0.33 0.00 0.00 56.93 57.06 3hm8 s PHE 606 Cb -0.20 -4.26 0.02 0.00 -1.31 0.00 0.00 43.02 37.27 3hm8 s PHE 606 CO -0.04 -1.55 0.93 0.99 1.83 0.00 0.00 175.22 177.39 3hm8 s THR 607 N 4.36 4.50 -0.38 0.12 2.01 0.92 -1.18 115.64 125.99 3hm8 s THR 607 Ca 0.31 0.92 0.02 0.00 0.31 0.00 0.00 61.69 63.25 3hm8 s THR 607 Cb -0.12 -4.40 0.11 0.00 0.01 0.00 0.00 72.50 68.10 3hm8 s THR 607 CO 0.18 -0.74 0.14 0.12 -0.69 0.00 0.00 174.62 173.62 3hm8 s PHE 608 N 3.69 2.60 -1.40 4.92 5.36 0.51 -0.72 117.98 132.94 3hm8 s PHE 608 Ca 0.38 -2.48 -0.09 0.00 -0.96 0.00 0.00 56.93 53.78 3hm8 s PHE 608 Cb -0.11 -2.28 -0.11 0.00 -0.34 0.00 0.00 43.02 40.19 3hm8 s PHE 608 CO 0.24 -0.86 3.04 -1.13 -1.46 0.00 0.00 175.22 175.04 3hm8 n SER 609 N 4.14 8.24 -3.99 6.13 3.41 -0.47 -4.28 113.62 126.80 3hm8 n SER 609 Ca 0.03 -2.55 -0.09 0.00 -0.26 0.00 0.00 58.87 56.00 3hm8 n SER 609 Cb 0.39 -1.53 -0.08 0.00 -0.26 0.00 0.00 64.21 62.73 3hm8 n SER 609 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 3hm8 s PHE 610 N 2.04 0.47 -0.01 7.33 0.08 -1.26 -4.88 117.98 121.75 3hm8 s PHE 610 Ca 0.69 -0.85 -0.30 0.00 0.12 0.00 0.00 56.93 56.59 3hm8 s PHE 610 Cb 0.20 -0.15 -0.05 0.00 -0.57 0.00 0.00 43.02 42.44 3hm8 s PHE 610 CO -0.05 -0.66 1.43 -2.14 -0.10 0.00 0.00 175.22 173.70 3hm8 s PRO 611 N -3.97 4.27 0.03 0.24 0.02 -1.26 -4.89 135.00 129.43 3hm8 s PRO 611 Ca 0.17 1.99 0.04 0.00 0.02 0.00 0.00 61.00 63.22 3hm8 s PRO 611 Cb 0.04 -3.62 -0.02 0.00 0.02 0.00 0.00 34.50 30.92 3hm8 s PRO 611 CO -0.01 -0.62 -0.13 0.00 -0.33 0.00 0.00 177.00 175.92 3hm8 s ARG 613 N -0.95 3.42 -0.09 0.00 6.06 -0.30 -4.84 118.95 122.25 3hm8 s ARG 613 Ca 0.01 -0.19 0.01 0.00 -2.50 0.00 0.00 55.73 53.06 3hm8 s ARG 613 Cb -0.07 -3.91 -0.02 0.00 0.06 0.00 0.00 34.95 31.01 3hm8 s ARG 613 CO 0.01 -0.96 -0.11 -0.65 -2.50 0.00 0.00 175.30 171.08 3hm8 s GLN 614 N 2.90 2.96 -0.05 5.12 -0.21 -1.26 -1.58 119.66 127.54 3hm8 s GLN 614 Ca 0.25 -0.65 0.11 0.00 0.02 0.00 0.00 55.36 55.09 3hm8 s GLN 614 Cb -0.14 -2.55 0.30 0.00 1.00 0.00 0.00 33.01 31.62 3hm8 s GLN 614 CO 0.19 0.46 1.24 1.28 -2.12 0.00 0.00 175.29 176.34 3hm8 n LEU 615 N 2.81 2.93 -3.60 2.90 4.32 -1.26 -4.79 117.00 120.31 3hm8 n LEU 615 Ca -0.18 -2.30 0.00 0.00 -0.02 0.00 0.00 56.01 53.51 3hm8 n LEU 615 Cb 0.53 -0.27 -0.01 0.00 -1.62 0.00 0.00 43.42 42.04 3hm8 n LEU 615 CO 0.28 0.67 1.11 -0.83 -1.22 0.00 0.00 177.39 177.41 3hm8 s GLY 616 N -1.34 -0.37 0.29 -0.72 0.00 -1.26 -5.02 107.32 98.90 3hm8 s GLY 616 Ca 0.24 1.18 0.00 0.00 0.00 0.00 0.00 44.72 46.14 3hm8 s GLY 616 CO 0.10 0.32 1.81 1.41 0.00 0.00 0.00 173.10 176.74 3hm8 h LEU 617 N 2.00 0.67 -0.32 0.66 3.38 -1.82 -3.16 115.31 116.72 3hm8 h LEU 617 Ca -0.21 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.61 3hm8 h LEU 617 Cb 1.18 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.75 3hm8 h LEU 617 CO 0.26 0.72 0.00 -0.90 0.09 0.00 0.00 178.44 178.61 3hm8 n ASP 618 N -4.25 0.47 -3.77 -0.43 5.75 -1.26 -0.67 116.55 112.39 3hm8 n ASP 618 Ca 0.02 -1.95 -0.13 0.00 -0.01 0.00 0.00 54.79 52.72 3hm8 n ASP 618 Cb 0.27 -0.06 -0.09 0.00 -1.03 0.00 0.00 41.12 40.21 3hm8 n ASP 618 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3hm8 s GLN 619 N -1.89 0.64 -0.30 0.11 -2.07 -1.19 -4.83 119.66 110.13 3hm8 s GLN 619 Ca 0.08 -0.16 -0.07 0.00 -1.82 0.00 0.00 55.36 53.39 3hm8 s GLN 619 Cb 0.04 0.29 0.18 0.00 -1.09 0.00 0.00 33.01 32.43 3hm8 s GLN 619 CO 0.06 -0.17 0.81 0.20 -1.32 0.00 0.00 175.29 174.87 3hm8 s GLY 620 N -1.24 -0.70 -0.44 2.60 0.00 -1.26 -4.42 107.32 101.86 3hm8 s GLY 620 Ca -0.13 2.26 -0.23 0.00 0.00 0.00 0.00 44.72 46.62 3hm8 s GLY 620 CO 0.04 3.59 0.79 -0.42 0.00 0.00 0.00 173.10 177.10 3hm8 s ILE 621 N 2.90 4.65 -0.10 0.90 1.09 -0.62 -0.96 121.20 129.07 3hm8 s ILE 621 Ca 0.11 0.49 -0.35 0.00 -1.10 0.00 0.00 60.65 59.80 3hm8 s ILE 621 Cb -0.13 -4.31 -0.12 0.00 -1.06 0.00 0.00 42.46 36.84 3hm8 s ILE 621 CO -0.17 -0.69 1.85 -0.11 -0.10 0.00 0.00 174.94 175.73 3hm8 n LEU 622 N 6.70 3.30 -0.08 2.97 7.94 -0.54 -1.15 117.00 136.15 3hm8 n LEU 622 Ca 0.03 0.99 -0.17 0.00 -1.11 0.00 0.00 56.01 55.75 3hm8 n LEU 622 Cb 0.48 -1.34 -0.12 0.00 0.53 0.00 0.00 43.42 42.97 3hm8 n LEU 622 CO 0.59 -0.11 -0.01 -0.07 -1.11 0.00 0.00 177.39 176.67 3hm8 h LEU 623 N 8.84 0.00 -7.57 -1.96 3.38 -1.17 0.26 115.31 117.09 3hm8 h LEU 623 Ca -0.48 -0.76 -0.13 0.00 0.09 0.00 0.00 57.88 56.61 3hm8 h LEU 623 Cb 1.28 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 41.82 3hm8 h LEU 623 CO 0.95 1.19 -0.33 0.20 0.09 0.00 0.00 178.44 180.54 3hm8 s ASN 624 N -6.46 -0.14 0.51 -0.43 0.01 -1.25 -4.51 114.94 102.66 3hm8 s ASN 624 Ca -0.23 0.03 -0.16 0.00 -0.71 0.00 0.00 52.86 51.79 3hm8 s ASN 624 Cb 0.01 0.30 -0.08 0.00 0.41 0.00 0.00 41.25 41.89 3hm8 s ASN 624 CO 0.63 -0.41 0.98 0.26 -1.51 0.00 0.00 177.10 177.04 3hm8 s TRP 625 N -1.28 3.46 0.29 2.20 0.52 -1.26 -4.11 118.94 118.75 3hm8 s TRP 625 Ca -0.13 1.44 0.06 0.00 0.02 0.00 0.00 56.10 57.49 3hm8 s TRP 625 Cb -0.06 -2.77 -0.02 0.00 -1.15 0.00 0.00 33.47 29.47 3hm8 s TRP 625 CO 0.03 -0.36 0.26 0.25 0.02 0.00 0.00 176.95 177.16 3hm8 n THR 626 N -1.59 0.00 0.00 2.01 -2.24 -1.26 -4.99 114.28 106.21 3hm8 n THR 626 Ca 0.06 -2.05 0.00 0.00 -2.27 0.00 0.00 64.05 59.79 3hm8 n THR 626 Cb 0.54 1.04 0.00 0.00 -2.10 0.00 0.00 70.33 69.81 3hm8 n THR 626 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3hm8 n LYS 627 N -0.54 0.00 -0.30 -0.78 5.02 -1.26 -2.47 118.16 117.82 3hm8 n LYS 627 Ca 0.06 0.00 0.10 0.00 -2.02 0.00 0.00 58.31 56.45 3hm8 n LYS 627 Cb 0.52 0.00 0.26 0.00 -0.02 0.00 0.00 35.03 35.79 3hm8 n LYS 627 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hm8 n GLY 628 N 0.00 2.59 3.87 0.72 0.00 -1.26 -4.87 105.19 106.24 3hm8 n GLY 628 Ca 0.00 -0.65 -0.36 0.00 0.00 0.00 0.00 46.02 45.01 3hm8 n GLY 628 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hm8 s PHE 629 N -1.00 3.62 0.00 1.61 0.40 -1.03 -4.59 117.98 116.98 3hm8 s PHE 629 Ca 0.40 0.67 0.11 0.00 -0.60 0.00 0.00 56.93 57.51 3hm8 s PHE 629 Cb 0.21 -2.05 0.18 0.00 0.51 0.00 0.00 43.02 41.87 3hm8 s PHE 629 CO 0.27 0.65 1.04 1.63 0.70 0.00 0.00 175.22 179.51 3hm8 n LYS 630 N 1.49 0.00 -1.68 0.44 5.02 -0.88 -4.31 118.16 118.23 3hm8 n LYS 630 Ca -0.14 -1.35 -0.45 0.00 -2.02 0.00 0.00 58.31 54.35 3hm8 n LYS 630 Cb 0.53 0.19 -0.04 0.00 -0.02 0.00 0.00 35.03 35.70 3hm8 n LYS 630 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3hm8 n ALA 631 N 0.21 1.58 -1.79 7.82 0.00 -0.91 -4.63 120.51 122.79 3hm8 n ALA 631 Ca -0.10 0.43 -0.31 0.00 0.00 0.00 0.00 53.44 53.46 3hm8 n ALA 631 Cb 0.88 -2.37 0.01 0.00 0.00 0.00 0.00 19.45 17.97 3hm8 n ALA 631 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3hm8 s SER 632 N 0.80 6.12 -1.51 0.00 1.04 -0.52 -4.05 113.70 115.58 3hm8 s SER 632 Ca 0.75 1.52 0.00 0.00 0.48 0.00 0.00 55.95 58.71 3hm8 s SER 632 Cb -0.64 -2.49 0.00 0.00 0.10 0.00 0.00 66.02 62.99 3hm8 s SER 632 CO 0.40 -0.94 0.00 -0.90 0.98 0.00 0.00 173.24 172.78 3hm8 n ASP 633 N -2.50 -5.14 -0.03 7.02 5.75 -1.26 -1.21 116.55 119.18 3hm8 n ASP 633 Ca 0.07 0.07 -0.04 0.00 -0.01 0.00 0.00 54.79 54.88 3hm8 n ASP 633 Cb 0.54 -4.31 -0.03 0.00 -1.03 0.00 0.00 41.12 36.29 3hm8 n ASP 633 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3hm8 s GLU 635 N -2.12 4.24 0.00 0.00 2.02 -1.26 -1.63 118.70 119.94 3hm8 s GLU 635 Ca -0.07 2.36 0.00 0.00 0.02 0.00 0.00 54.97 57.28 3hm8 s GLU 635 Cb 0.02 -3.09 0.00 0.00 0.10 0.00 0.00 34.13 31.16 3hm8 s GLU 635 CO 0.16 -0.47 0.00 0.41 0.02 0.00 0.00 175.26 175.38 3hm8 n GLY 636 N 2.24 0.84 3.85 -1.39 0.00 0.90 -5.01 105.19 106.62 3hm8 n GLY 636 Ca 0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.75 3hm8 n GLY 636 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hm8 s GLN 637 N -0.27 3.29 -0.08 1.61 -1.52 -0.64 -4.85 119.66 117.19 3hm8 s GLN 637 Ca 0.00 -0.34 -0.30 0.00 -1.95 0.00 0.00 55.36 52.77 3hm8 s GLN 637 Cb 0.00 -3.02 -0.04 0.00 -0.22 0.00 0.00 33.01 29.73 3hm8 s GLN 637 CO 0.00 0.69 1.43 0.34 -0.25 0.00 0.00 175.29 177.50 3hm8 s ASP 638 N -1.63 6.83 0.48 5.90 2.15 -1.26 -1.46 116.67 127.67 3hm8 s ASP 638 Ca 0.23 1.99 0.22 0.00 0.43 0.00 0.00 52.55 55.41 3hm8 s ASP 638 Cb -0.12 -2.54 1.22 0.00 -0.30 0.00 0.00 42.92 41.18 3hm8 s ASP 638 CO 0.13 -0.80 2.02 -0.37 -0.17 0.00 0.00 175.17 175.98 3hm8 h VAL 639 N 5.36 0.82 -0.74 1.11 -1.51 -1.41 -0.95 116.25 118.92 3hm8 h VAL 639 Ca -0.34 -0.65 -0.05 0.00 -1.23 0.00 0.00 66.70 64.42 3hm8 h VAL 639 Cb 1.15 1.38 -0.03 0.00 -2.13 0.00 0.00 31.29 31.66 3hm8 h VAL 639 CO 0.94 0.17 0.25 0.58 -1.23 0.00 0.00 177.57 178.28 3hm8 h VAL 640 N 0.00 1.26 -0.08 7.19 2.07 -1.91 -1.64 116.25 123.15 3hm8 h VAL 640 Ca -0.00 -0.88 -0.01 0.00 0.82 0.00 0.00 66.70 66.62 3hm8 h VAL 640 Cb 0.37 0.43 -0.00 0.00 -1.52 0.00 0.00 31.29 30.57 3hm8 h VAL 640 CO 0.02 0.35 -0.00 0.28 0.02 0.00 0.00 177.57 178.24 3hm8 h SER 641 N 1.09 0.14 -0.99 0.57 0.02 -1.62 -1.99 113.55 110.77 3hm8 h SER 641 Ca 0.24 -0.31 0.25 0.00 -0.84 0.00 0.00 61.79 61.13 3hm8 h SER 641 Cb 0.28 -0.04 -0.07 0.00 0.14 0.00 0.00 62.40 62.71 3hm8 h SER 641 CO -0.01 0.42 0.66 -0.07 -1.14 0.00 0.00 176.83 176.69 3hm8 h LEU 642 N -0.14 0.35 -0.05 5.07 3.38 -1.02 0.60 115.31 123.50 3hm8 h LEU 642 Ca 0.02 0.05 -0.09 0.00 0.09 0.00 0.00 57.88 57.95 3hm8 h LEU 642 Cb 0.35 -0.01 0.01 0.00 0.09 0.00 0.00 40.66 41.10 3hm8 h LEU 642 CO 0.00 0.10 -0.34 0.25 0.09 0.00 0.00 178.44 178.55 3hm8 h LEU 643 N 0.33 0.38 0.02 1.67 5.85 -1.12 -3.02 115.31 119.41 3hm8 h LEU 643 Ca 0.53 -0.68 0.03 0.00 0.84 0.00 0.00 57.88 58.59 3hm8 h LEU 643 Cb 1.47 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 42.34 3hm8 h LEU 643 CO -0.20 1.00 -0.28 0.03 -0.34 0.00 0.00 178.44 178.66 3hm8 h ARG 644 N -0.22 -0.42 -0.99 1.25 -0.00 -0.20 0.22 114.38 114.02 3hm8 h ARG 644 Ca -0.03 0.03 0.18 0.00 -0.50 0.00 0.00 59.98 59.66 3hm8 h ARG 644 Cb 1.02 0.10 -0.10 0.00 0.00 0.00 0.00 29.97 30.98 3hm8 h ARG 644 CO 0.07 -0.28 0.62 0.93 0.00 0.00 0.00 179.97 181.30 3hm8 h GLU 645 N -0.44 0.75 -0.16 0.04 5.08 -1.16 0.13 114.58 118.82 3hm8 h GLU 645 Ca 0.06 -0.04 -0.13 0.00 -1.00 0.00 0.00 59.36 58.25 3hm8 h GLU 645 Cb 0.51 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.60 3hm8 h GLU 645 CO -0.23 0.49 -0.39 0.00 -1.00 0.00 0.00 179.01 177.88 3hm8 h ALA 646 N 1.62 0.26 -0.35 3.43 0.00 -1.25 -2.06 119.26 120.92 3hm8 h ALA 646 Ca 0.55 -0.45 0.04 0.00 0.00 0.00 0.00 54.91 55.05 3hm8 h ALA 646 Cb 0.86 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.57 3hm8 h ALA 646 CO -0.34 0.36 0.13 0.82 0.00 0.00 0.00 179.25 180.22 3hm8 h ILE 647 N 0.19 0.91 -0.53 0.00 2.04 0.74 0.29 117.51 121.15 3hm8 h ILE 647 Ca -0.00 -0.10 -0.03 0.00 1.00 0.00 0.00 64.86 65.73 3hm8 h ILE 647 Cb 1.00 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 37.66 3hm8 h ILE 647 CO 0.09 0.05 0.21 0.71 0.00 0.00 0.00 178.15 179.21 3hm8 h THR 648 N 0.29 1.22 0.87 -0.27 1.35 -0.87 0.43 112.91 115.92 3hm8 h THR 648 Ca 0.16 -0.68 -0.04 0.00 -0.55 0.00 0.00 66.41 65.30 3hm8 h THR 648 Cb 0.12 0.67 0.01 0.00 -1.73 0.00 0.00 68.15 67.22 3hm8 h THR 648 CO -0.15 0.26 -0.42 0.03 -0.25 0.00 0.00 175.52 174.99 3hm8 h ARG 649 N 0.72 -1.12 0.00 4.72 3.08 -0.79 -2.38 114.38 118.60 3hm8 h ARG 649 Ca 0.18 0.08 0.00 0.00 0.07 0.00 0.00 59.98 60.30 3hm8 h ARG 649 Cb 0.20 0.26 0.00 0.00 0.08 0.00 0.00 29.97 30.50 3hm8 h ARG 649 CO -0.01 -0.75 0.00 0.54 -1.07 0.00 0.00 179.97 178.68 3hm8 n ARG 650 N -5.59 0.20 -3.51 0.04 1.74 0.97 -4.89 116.66 105.63 3hm8 n ARG 650 Ca -0.15 0.15 -0.18 0.00 -0.77 0.00 0.00 57.85 56.89 3hm8 n ARG 650 Cb 0.46 -1.50 0.08 0.00 -1.02 0.00 0.00 32.46 30.48 3hm8 n ARG 650 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 3hm8 n GLN 651 N -1.29 -6.27 -1.29 5.56 3.00 0.12 -5.01 117.38 112.19 3hm8 n GLN 651 Ca 0.07 0.79 -0.11 0.00 -0.01 0.00 0.00 57.00 57.74 3hm8 n GLN 651 Cb 0.12 -5.70 0.06 0.00 0.00 0.00 0.00 30.24 24.72 3hm8 n GLN 651 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3hm8 n ALA 652 N -4.20 -0.15 -2.02 -1.58 0.00 0.75 -5.00 120.51 108.31 3hm8 n ALA 652 Ca -0.28 -0.84 -0.41 0.00 0.00 0.00 0.00 53.44 51.92 3hm8 n ALA 652 Cb 0.67 0.09 -0.03 0.00 0.00 0.00 0.00 19.45 20.17 3hm8 n ALA 652 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3hm8 s VAL 653 N -1.55 3.56 0.18 0.00 1.01 -1.26 -4.84 120.40 117.49 3hm8 s VAL 653 Ca 0.31 1.33 -0.33 0.00 0.00 0.00 0.00 61.98 63.29 3hm8 s VAL 653 Cb -0.01 -3.85 -0.15 0.00 0.00 0.00 0.00 36.38 32.36 3hm8 s VAL 653 CO 0.21 0.22 1.20 -1.84 0.00 0.00 0.00 175.10 174.89 3hm8 n GLU 654 N 2.36 1.27 -2.12 2.72 0.00 -1.26 -4.90 120.64 118.71 3hm8 n GLU 654 Ca 0.04 0.45 -0.41 0.00 0.00 0.00 0.00 57.16 57.23 3hm8 n GLU 654 Cb 0.45 -1.97 -0.03 0.00 0.00 0.00 0.00 31.44 29.89 3hm8 n GLU 654 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 3hm8 s LEU 655 N 0.59 4.40 0.00 -1.84 1.43 -1.26 -4.82 118.68 117.18 3hm8 s LEU 655 Ca 0.73 2.50 0.00 0.00 -1.03 0.00 0.00 54.13 56.33 3hm8 s LEU 655 Cb -0.83 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 41.78 3hm8 s LEU 655 CO 0.52 -0.63 0.00 -3.20 0.23 0.00 0.00 176.35 173.27 3hm8 n ASN 656 N 2.81 0.00 -4.63 2.29 5.15 -1.26 -4.97 115.26 114.64 3hm8 n ASN 656 Ca 0.08 0.00 -0.43 0.00 -0.60 0.00 0.00 54.58 53.63 3hm8 n ASN 656 Cb 0.41 0.00 -0.02 0.00 -0.53 0.00 0.00 39.78 39.64 3hm8 n ASN 656 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 3hm8 s VAL 657 N 3.36 3.81 -0.04 3.44 -7.23 -1.26 -4.86 120.40 117.61 3hm8 s VAL 657 Ca 0.00 0.92 -0.01 0.00 -1.81 0.00 0.00 61.98 61.08 3hm8 s VAL 657 Cb 0.00 -3.79 -0.04 0.00 0.56 0.00 0.00 36.38 33.11 3hm8 s VAL 657 CO 0.00 -0.30 0.03 -0.69 -0.31 0.00 0.00 175.10 173.83 3hm8 s VAL 658 N 4.86 4.47 -0.08 1.32 1.01 -1.26 -1.34 120.40 129.38 3hm8 s VAL 658 Ca 0.68 -0.37 0.02 0.00 0.00 0.00 0.00 61.98 62.30 3hm8 s VAL 658 Cb -0.24 -2.97 0.02 0.00 0.00 0.00 0.00 36.38 33.19 3hm8 s VAL 658 CO 0.27 0.46 -0.12 0.00 0.00 0.00 0.00 175.10 175.71 3hm8 s ALA 659 N -1.05 1.32 -0.22 5.51 0.00 -0.58 -4.19 121.76 122.55 3hm8 s ALA 659 Ca 0.18 -0.47 -0.13 0.00 0.00 0.00 0.00 51.96 51.54 3hm8 s ALA 659 Cb -0.12 -0.66 -0.05 0.00 0.00 0.00 0.00 23.12 22.30 3hm8 s ALA 659 CO 0.08 0.00 0.26 0.42 0.00 0.00 0.00 175.76 176.52 3hm8 s ILE 660 N 0.88 5.30 -0.00 0.00 -1.09 0.15 0.12 121.20 126.56 3hm8 s ILE 660 Ca -0.10 0.40 0.01 0.00 -2.23 0.00 0.00 60.65 58.73 3hm8 s ILE 660 Cb -0.15 -3.59 -0.00 0.00 -1.58 0.00 0.00 42.46 37.14 3hm8 s ILE 660 CO 0.01 0.32 -0.03 0.68 -1.23 0.00 0.00 174.94 174.69 3hm8 s VAL 661 N 1.07 0.22 0.47 2.92 -7.23 -0.33 -4.88 120.40 112.65 3hm8 s VAL 661 Ca 0.12 -0.11 -0.21 0.00 -1.81 0.00 0.00 61.98 59.97 3hm8 s VAL 661 Cb -0.14 -0.19 -0.09 0.00 0.56 0.00 0.00 36.38 36.52 3hm8 s VAL 661 CO 0.05 0.06 1.02 0.21 -0.31 0.00 0.00 175.10 176.14 3hm8 s ASN 662 N -0.03 6.50 0.38 4.85 3.84 -1.26 -0.36 114.94 128.86 3hm8 s ASN 662 Ca 0.01 1.88 0.09 0.00 0.21 0.00 0.00 52.86 55.04 3hm8 s ASN 662 Cb -0.01 -2.56 0.84 0.00 -0.55 0.00 0.00 41.25 38.97 3hm8 s ASN 662 CO -0.00 -0.67 1.95 -2.24 -2.79 0.00 0.00 177.10 173.35 3hm8 h ASP 663 N 1.69 0.58 0.02 -4.21 2.03 -1.91 0.15 116.42 114.76 3hm8 h ASP 663 Ca -0.49 0.01 0.02 0.00 -0.73 0.00 0.00 57.03 55.83 3hm8 h ASP 663 Cb 1.21 -0.11 -0.02 0.00 -0.83 0.00 0.00 39.33 39.58 3hm8 h ASP 663 CO 0.60 0.35 -0.10 0.71 -1.03 0.00 0.00 179.24 179.76 3hm8 h THR 664 N 0.64 0.74 -0.68 1.15 1.35 -1.92 0.20 112.91 114.39 3hm8 h THR 664 Ca 0.33 0.00 -0.02 0.00 -0.55 0.00 0.00 66.41 66.17 3hm8 h THR 664 Cb 0.42 0.74 -0.03 0.00 -1.73 0.00 0.00 68.15 67.55 3hm8 h THR 664 CO -0.11 0.00 0.35 0.58 -0.25 0.00 0.00 175.52 176.09 3hm8 h VAL 665 N -0.19 1.22 -0.43 6.82 2.07 -1.59 -0.68 116.25 123.47 3hm8 h VAL 665 Ca 0.03 -0.58 0.03 0.00 0.82 0.00 0.00 66.70 67.00 3hm8 h VAL 665 Cb 0.23 0.36 -0.04 0.00 -1.52 0.00 0.00 31.29 30.32 3hm8 h VAL 665 CO -0.09 0.25 0.22 1.23 0.02 0.00 0.00 177.57 179.19 3hm8 h GLY 666 N 0.94 0.58 0.76 2.17 0.00 -0.31 -1.52 103.07 105.68 3hm8 h GLY 666 Ca 0.24 -0.15 -0.00 0.00 0.00 0.00 0.00 47.33 47.41 3hm8 h GLY 666 CO -0.03 0.11 0.00 -0.84 0.00 0.00 0.00 176.54 175.78 3hm8 h THR 667 N 0.43 1.20 -0.64 4.70 2.02 -0.30 -1.74 112.91 118.59 3hm8 h THR 667 Ca 0.18 -0.60 0.13 0.00 0.77 0.00 0.00 66.41 66.89 3hm8 h THR 667 Cb 0.08 1.58 -0.11 0.00 -1.74 0.00 0.00 68.15 67.96 3hm8 h THR 667 CO -0.12 0.16 -0.06 -0.03 0.37 0.00 0.00 175.52 175.84 3hm8 h MET 668 N -0.22 0.06 -0.04 6.66 -1.53 -0.96 -0.49 114.93 118.41 3hm8 h MET 668 Ca 0.01 -0.00 -0.09 0.00 -3.44 0.00 0.00 59.70 56.17 3hm8 h MET 668 Cb 0.26 -0.01 -0.01 0.00 -0.55 0.00 0.00 31.60 31.28 3hm8 h MET 668 CO 0.00 0.04 -0.41 0.52 0.14 0.00 0.00 176.91 177.20 3hm8 h MET 669 N 0.07 0.09 0.02 0.39 2.86 -1.14 0.16 114.93 117.37 3hm8 h MET 669 Ca 0.33 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.92 3hm8 h MET 669 Cb 0.53 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.18 3hm8 h MET 669 CO -0.59 0.49 -0.01 0.77 1.06 0.00 0.00 176.91 178.63 3hm8 h SER 670 N 0.08 -0.02 0.77 1.22 0.02 -0.20 -2.29 113.55 113.12 3hm8 h SER 670 Ca 0.01 -0.37 -0.06 0.00 -0.84 0.00 0.00 61.79 60.52 3hm8 h SER 670 Cb 0.76 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.29 3hm8 h SER 670 CO 0.06 0.36 -0.29 0.00 -1.14 0.00 0.00 176.83 175.82 3hm8 h GLY 672 N 1.82 0.00 0.24 0.00 0.00 -0.51 -3.09 103.07 101.53 3hm8 h GLY 672 Ca -0.00 0.00 0.14 0.00 0.00 0.00 0.00 47.33 47.47 3hm8 h GLY 672 CO 0.04 0.00 0.41 -1.82 0.00 0.00 0.00 176.54 175.17 3hm8 h TYR 673 N 0.00 0.72 0.00 5.60 3.20 -0.99 -2.90 116.97 122.60 3hm8 h TYR 673 Ca -0.00 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.88 3hm8 h TYR 673 Cb 0.51 -0.20 -0.05 0.00 1.54 0.00 0.00 36.73 38.54 3hm8 h TYR 673 CO 0.00 0.17 -0.48 0.39 -1.64 0.00 0.00 178.16 176.61 3hm8 n GLU 674 N -4.89 1.27 -3.27 1.82 -0.58 -1.23 -4.92 120.64 108.85 3hm8 n GLU 674 Ca 0.16 -2.93 -0.06 0.00 -0.42 0.00 0.00 57.16 53.91 3hm8 n GLU 674 Cb 0.41 -1.35 -0.04 0.00 -0.57 0.00 0.00 31.44 29.89 3hm8 n GLU 674 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 3hm8 s ASP 675 N -2.94 -0.26 0.51 1.62 -1.08 -1.10 -5.04 116.67 108.39 3hm8 s ASP 675 Ca 0.35 -0.68 0.23 0.00 -0.52 0.00 0.00 52.55 51.92 3hm8 s ASP 675 Cb 0.34 1.35 1.33 0.00 -1.46 0.00 0.00 42.92 44.48 3hm8 s ASP 675 CO -0.06 -0.27 2.01 -0.65 0.52 0.00 0.00 175.17 176.71 3hm8 h PRO 676 N 7.57 0.06 0.00 4.34 0.11 -1.89 -1.34 132.00 140.85 3hm8 h PRO 676 Ca -0.01 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.10 3hm8 h PRO 676 Cb 1.13 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3hm8 h PRO 676 CO 0.19 0.04 0.00 0.54 -0.21 0.00 0.00 178.00 178.56 3hm8 n ARG 677 N -4.41 0.98 -2.63 1.05 5.12 -1.26 -4.74 116.66 110.77 3hm8 n ARG 677 Ca 0.08 0.00 -0.42 0.00 -1.93 0.00 0.00 57.85 55.58 3hm8 n ARG 677 Cb 0.52 -1.34 -0.03 0.00 -1.16 0.00 0.00 32.46 30.45 3hm8 n ARG 677 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3hm8 n GLU 679 N 8.30 0.93 -3.79 0.00 1.02 -1.07 -4.74 120.64 121.30 3hm8 n GLU 679 Ca 0.07 -1.65 -0.13 0.00 -0.02 0.00 0.00 57.16 55.42 3hm8 n GLU 679 Cb 0.49 -0.97 -0.14 0.00 -0.02 0.00 0.00 31.44 30.79 3hm8 n GLU 679 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3hm8 s ILE 680 N -1.31 -0.03 -0.16 -3.67 1.01 -1.24 -1.80 121.20 114.01 3hm8 s ILE 680 Ca 0.13 0.11 -0.05 0.00 0.00 0.00 0.00 60.65 60.84 3hm8 s ILE 680 Cb 0.11 -0.16 -0.03 0.00 0.01 0.00 0.00 42.46 42.39 3hm8 s ILE 680 CO 0.01 0.04 -0.01 -0.83 0.00 0.00 0.00 174.94 174.16 3hm8 s GLY 681 N 0.64 1.78 -0.06 6.18 0.00 -0.07 -0.42 107.32 115.36 3hm8 s GLY 681 Ca -0.05 -0.80 0.04 0.00 0.00 0.00 0.00 44.72 43.92 3hm8 s GLY 681 CO -0.03 -0.06 -0.19 -2.27 0.00 0.00 0.00 173.10 170.55 3hm8 s LEU 682 N 0.29 1.93 -0.10 0.66 2.96 0.61 -0.87 118.68 124.16 3hm8 s LEU 682 Ca -0.01 -0.42 0.04 0.00 -0.22 0.00 0.00 54.13 53.51 3hm8 s LEU 682 Cb -0.14 -1.12 0.00 0.00 0.50 0.00 0.00 46.19 45.44 3hm8 s LEU 682 CO 0.02 0.15 -0.23 -0.63 -1.32 0.00 0.00 176.35 174.34 3hm8 s ILE 683 N 0.20 2.01 -0.40 6.68 -1.09 -0.23 -1.70 121.20 126.67 3hm8 s ILE 683 Ca -0.10 -0.99 0.03 0.00 -2.23 0.00 0.00 60.65 57.37 3hm8 s ILE 683 Cb -0.14 -1.75 0.16 0.00 -1.58 0.00 0.00 42.46 39.16 3hm8 s ILE 683 CO 0.04 0.55 0.32 -0.69 -1.23 0.00 0.00 174.94 173.93 3hm8 s VAL 684 N 0.40 0.26 0.00 2.92 1.01 -0.27 -1.90 120.40 122.82 3hm8 s VAL 684 Ca -0.18 -2.42 0.00 0.00 0.00 0.00 0.00 61.98 59.39 3hm8 s VAL 684 Cb -0.18 -1.19 0.00 0.00 0.00 0.00 0.00 36.38 35.01 3hm8 s VAL 684 CO 0.08 -1.16 0.00 0.61 0.00 0.00 0.00 175.10 174.63 3hm8 n GLY 685 N 3.10 3.37 0.21 4.51 0.00 -1.26 -2.12 105.19 112.99 3hm8 n GLY 685 Ca 0.26 -0.34 -0.08 0.00 0.00 0.00 0.00 46.02 45.85 3hm8 n GLY 685 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3hm8 h THR 686 N 0.00 0.55 -1.03 2.61 2.02 -1.94 0.23 112.91 115.36 3hm8 h THR 686 Ca 0.00 0.00 -0.65 0.00 0.77 0.00 0.00 66.41 66.53 3hm8 h THR 686 Cb 0.00 0.55 -0.12 0.00 -1.74 0.00 0.00 68.15 66.84 3hm8 h THR 686 CO 0.00 0.00 -0.54 -0.83 0.37 0.00 0.00 175.52 174.52 3hm8 s GLY 687 N -2.73 2.72 0.05 2.16 0.00 -1.26 -2.52 107.32 105.74 3hm8 s GLY 687 Ca -0.14 -1.38 0.05 0.00 0.00 0.00 0.00 44.72 43.25 3hm8 s GLY 687 CO 0.68 -2.12 -0.15 -1.08 0.00 0.00 0.00 173.10 170.43 3hm8 s THR 688 N -2.78 1.20 0.01 0.90 -1.32 -1.26 -4.11 115.64 108.29 3hm8 s THR 688 Ca 0.22 -1.14 -0.29 0.00 -1.21 0.00 0.00 61.69 59.28 3hm8 s THR 688 Cb 0.05 -1.10 0.10 0.00 -1.51 0.00 0.00 72.50 70.04 3hm8 s THR 688 CO 0.12 -0.04 1.04 0.21 -2.21 0.00 0.00 174.62 173.73 3hm8 s ASN 689 N -1.35 -0.21 0.00 8.08 2.47 -0.80 -3.56 114.94 119.57 3hm8 s ASN 689 Ca 0.01 -0.15 -0.12 0.00 0.42 0.00 0.00 52.86 53.02 3hm8 s ASN 689 Cb -0.09 0.34 0.01 0.00 -1.45 0.00 0.00 41.25 40.06 3hm8 s ASN 689 CO 0.02 -0.59 0.24 0.00 -3.72 0.00 0.00 177.10 173.05 3hm8 s ALA 690 N -2.93 -0.57 0.09 1.71 0.00 -1.26 -1.07 121.76 117.73 3hm8 s ALA 690 Ca 0.10 0.07 0.02 0.00 0.00 0.00 0.00 51.96 52.14 3hm8 s ALA 690 Cb -0.00 0.14 -0.04 0.00 0.00 0.00 0.00 23.12 23.22 3hm8 s ALA 690 CO -0.04 -0.27 -0.06 0.00 0.00 0.00 0.00 175.76 175.39 3hm8 s TYR 692 N -3.49 -0.49 -0.67 0.00 -0.85 -0.99 -0.89 117.35 109.97 3hm8 s TYR 692 Ca 0.10 0.43 -0.27 0.00 -0.52 0.00 0.00 57.07 56.80 3hm8 s TYR 692 Cb 0.04 0.53 0.02 0.00 0.38 0.00 0.00 41.96 42.93 3hm8 s TYR 692 CO -0.05 -0.69 1.34 -1.64 -1.52 0.00 0.00 175.55 172.99 3hm8 s MET 693 N -3.03 3.22 0.29 -3.49 -1.94 -0.75 -0.90 119.30 112.70 3hm8 s MET 693 Ca 0.00 0.05 -0.07 0.00 -1.71 0.00 0.00 55.69 53.96 3hm8 s MET 693 Cb -0.01 -4.16 -0.06 0.00 2.01 0.00 0.00 34.83 32.61 3hm8 s MET 693 CO -0.08 -2.08 0.59 -2.00 -0.01 0.00 0.00 175.02 171.45 3hm8 s GLU 694 N 5.68 3.71 0.19 2.03 2.56 -0.33 -4.86 118.70 127.68 3hm8 s GLU 694 Ca 0.43 0.17 -0.30 0.00 0.00 0.00 0.00 54.97 55.26 3hm8 s GLU 694 Cb -0.09 -2.60 -0.08 0.00 2.00 0.00 0.00 34.13 33.36 3hm8 s GLU 694 CO 0.19 0.20 1.21 -1.21 -0.56 0.00 0.00 175.26 175.09 3hm8 s GLU 695 N -3.40 4.48 0.37 4.30 0.41 -1.26 -0.72 118.70 122.87 3hm8 s GLU 695 Ca 0.46 1.90 0.05 0.00 -0.41 0.00 0.00 54.97 56.97 3hm8 s GLU 695 Cb -0.11 -3.23 0.73 0.00 -1.78 0.00 0.00 34.13 29.74 3hm8 s GLU 695 CO 0.28 -0.10 2.00 1.25 -0.49 0.00 0.00 175.26 178.20 3hm8 h LEU 696 N 5.18 0.65 -2.10 1.80 5.85 -0.91 -1.32 115.31 124.45 3hm8 h LEU 696 Ca -0.45 -0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.32 3hm8 h LEU 696 Cb 1.21 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 42.08 3hm8 h LEU 696 CO 0.74 0.45 0.16 0.08 -0.34 0.00 0.00 178.44 179.53 3hm8 h ARG 697 N 0.75 0.00 0.00 1.25 0.11 -1.73 -2.23 114.38 112.54 3hm8 h ARG 697 Ca 0.25 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.33 3hm8 h ARG 697 Cb 0.06 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.14 3hm8 h ARG 697 CO -0.07 0.00 -0.44 -0.91 0.10 0.00 0.00 179.97 178.66 3hm8 h ASN 698 N 0.00 0.00 -2.24 0.08 -0.26 -1.59 -3.42 115.58 108.15 3hm8 h ASN 698 Ca 0.09 -0.11 -0.69 0.00 -0.56 0.00 0.00 56.30 55.04 3hm8 h ASN 698 Cb 0.41 0.00 -0.17 0.00 -1.06 0.00 0.00 38.32 37.50 3hm8 h ASN 698 CO -0.00 0.05 0.96 -0.69 -1.06 0.00 0.00 177.43 176.70 3hm8 s VAL 699 N -3.18 4.68 0.47 2.81 1.01 -0.84 -4.49 120.40 120.86 3hm8 s VAL 699 Ca 0.07 -1.61 0.15 0.00 0.00 0.00 0.00 61.98 60.58 3hm8 s VAL 699 Cb 0.12 -4.82 0.21 0.00 0.00 0.00 0.00 36.38 31.89 3hm8 s VAL 699 CO 0.69 -1.56 2.04 0.00 0.00 0.00 0.00 175.10 176.27 3hm8 h ALA 700 N 8.74 1.80 -0.19 5.51 0.00 -1.65 -2.87 119.26 130.60 3hm8 h ALA 700 Ca 0.18 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 3hm8 h ALA 700 Cb 1.01 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 3hm8 h ALA 700 CO 1.15 0.15 -0.08 0.78 0.00 0.00 0.00 179.25 181.26 3hm8 h GLY 701 N 0.37 0.31 -4.17 0.00 0.00 -1.90 -3.44 103.07 94.23 3hm8 h GLY 701 Ca -0.00 -0.18 -0.55 0.00 0.00 0.00 0.00 47.33 46.60 3hm8 h GLY 701 CO 0.02 0.17 -0.47 0.14 0.00 0.00 0.00 176.54 176.39 3hm8 s VAL 702 N -4.83 5.31 0.54 4.60 1.01 -1.08 -5.11 120.40 120.83 3hm8 s VAL 702 Ca -0.06 -0.66 -0.06 0.00 0.00 0.00 0.00 61.98 61.20 3hm8 s VAL 702 Cb 0.16 -3.71 -0.02 0.00 0.00 0.00 0.00 36.38 32.80 3hm8 s VAL 702 CO 0.73 -0.06 0.86 -2.16 0.00 0.00 0.00 175.10 174.47 3hm8 s PRO 703 N -3.13 3.30 0.00 2.72 0.04 -1.26 -4.92 135.00 131.74 3hm8 s PRO 703 Ca 0.34 0.18 0.00 0.00 0.04 0.00 0.00 61.00 61.57 3hm8 s PRO 703 Cb -0.11 -2.30 0.00 0.00 0.04 0.00 0.00 34.50 32.13 3hm8 s PRO 703 CO 0.28 -0.45 0.00 0.41 0.04 0.00 0.00 177.00 177.28 3hm8 n GLY 704 N -2.45 2.28 0.65 0.56 0.00 -1.26 -5.05 105.19 99.92 3hm8 n GLY 704 Ca 0.03 -1.83 0.00 0.00 0.00 0.00 0.00 46.02 44.22 3hm8 n GLY 704 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3hm8 n ASP 705 N 0.00 1.45 -4.71 1.61 10.43 -1.26 -4.33 116.55 119.75 3hm8 n ASP 705 Ca 0.00 0.00 -0.42 0.00 2.57 0.00 0.00 54.79 56.94 3hm8 n ASP 705 Cb 0.00 0.00 -0.03 0.00 1.84 0.00 0.00 41.12 42.93 3hm8 n ASP 705 CO 0.00 0.00 0.00 -0.94 -1.07 0.00 0.00 177.20 175.19 3hm8 s SER 706 N -4.40 6.73 0.00 -2.24 1.04 -1.26 -3.05 113.70 110.51 3hm8 s SER 706 Ca 0.00 2.41 0.00 0.00 0.48 0.00 0.00 55.95 58.84 3hm8 s SER 706 Cb 0.00 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.54 3hm8 s SER 706 CO 0.00 -0.74 0.00 0.61 0.98 0.00 0.00 173.24 174.09 3hm8 n GLY 707 N 3.65 -1.78 3.25 7.32 0.00 -1.26 -4.86 105.19 111.50 3hm8 n GLY 707 Ca 0.13 -2.04 -0.11 0.00 0.00 0.00 0.00 46.02 44.00 3hm8 n GLY 707 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3hm8 s ARG 708 N 0.00 1.18 -0.15 1.61 1.70 -1.26 -0.37 118.95 121.66 3hm8 s ARG 708 Ca 0.00 -1.51 -0.14 0.00 -0.47 0.00 0.00 55.73 53.61 3hm8 s ARG 708 Cb 0.00 0.30 0.04 0.00 -0.57 0.00 0.00 34.95 34.72 3hm8 s ARG 708 CO 0.00 -0.40 0.41 1.41 -1.08 0.00 0.00 175.30 175.64 3hm8 s MET 709 N -4.10 0.49 0.27 3.89 1.75 0.10 -4.43 119.30 117.26 3hm8 s MET 709 Ca 0.32 0.55 -0.29 0.00 -1.25 0.00 0.00 55.69 55.02 3hm8 s MET 709 Cb 0.06 0.24 -0.10 0.00 2.84 0.00 0.00 34.83 37.87 3hm8 s MET 709 CO 0.09 -0.06 1.29 0.00 -0.65 0.00 0.00 175.02 175.68 3hm8 s ILE 711 N -0.64 1.91 -0.55 0.00 1.01 -0.08 -2.35 121.20 120.50 3hm8 s ILE 711 Ca 0.52 -0.89 -0.26 0.00 0.00 0.00 0.00 60.65 60.01 3hm8 s ILE 711 Cb -0.38 -1.70 0.04 0.00 0.01 0.00 0.00 42.46 40.43 3hm8 s ILE 711 CO 0.46 0.52 1.03 0.21 0.00 0.00 0.00 174.94 177.16 3hm8 s ASN 712 N 0.83 6.40 0.32 3.58 2.47 0.12 -2.35 114.94 126.31 3hm8 s ASN 712 Ca -0.08 -0.12 0.04 0.00 0.42 0.00 0.00 52.86 53.12 3hm8 s ASN 712 Cb -0.16 -2.48 0.56 0.00 -1.45 0.00 0.00 41.25 37.72 3hm8 s ASN 712 CO -0.01 -1.30 1.84 0.24 -3.72 0.00 0.00 177.10 174.15 3hm8 h MET 713 N 9.37 0.51 -6.01 0.43 2.86 -1.63 0.20 114.93 120.66 3hm8 h MET 713 Ca -0.25 -0.13 -0.39 0.00 -2.06 0.00 0.00 59.70 56.87 3hm8 h MET 713 Cb 1.07 -0.06 0.10 0.00 0.06 0.00 0.00 31.60 32.77 3hm8 h MET 713 CO 1.12 0.59 -0.89 0.39 1.06 0.00 0.00 176.91 179.17 3hm8 n GLU 714 N -4.24 -2.36 0.00 1.72 -0.58 -1.26 -2.85 120.64 111.07 3hm8 n GLU 714 Ca 0.01 0.60 0.13 0.00 -0.42 0.00 0.00 57.16 57.47 3hm8 n GLU 714 Cb 0.29 -4.80 0.65 0.00 -0.57 0.00 0.00 31.44 27.01 3hm8 n GLU 714 CO 0.00 0.00 0.00 -2.67 -0.48 0.00 0.00 177.13 173.98 3hm8 n TRP 715 N -3.97 0.00 -0.30 -0.32 2.14 -1.26 -3.07 117.44 110.66 3hm8 n TRP 715 Ca -0.14 0.00 0.07 0.00 2.07 0.00 0.00 57.50 59.50 3hm8 n TRP 715 Cb 0.62 -0.31 0.27 0.00 -0.81 0.00 0.00 31.31 31.08 3hm8 n TRP 715 CO 0.00 0.00 0.00 0.78 2.07 0.00 0.00 177.69 180.54 3hm8 h GLY 716 N 4.40 1.36 -0.60 -1.67 0.00 -1.90 -0.40 103.07 104.26 3hm8 h GLY 716 Ca 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 47.33 46.94 3hm8 h GLY 716 CO 0.00 0.22 0.00 0.00 0.00 0.00 0.00 176.54 176.76 3hm8 n ALA 717 N -2.39 2.47 -1.74 3.60 0.00 -1.17 -1.16 120.51 120.12 3hm8 n ALA 717 Ca 0.16 -0.29 -0.42 0.00 0.00 0.00 0.00 53.44 52.89 3hm8 n ALA 717 Cb 0.29 -0.99 -0.02 0.00 0.00 0.00 0.00 19.45 18.74 3hm8 n ALA 717 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3hm8 n PHE 718 N -0.02 2.84 -0.97 0.00 7.35 -0.16 -1.92 117.46 124.57 3hm8 n PHE 718 Ca 0.05 0.26 0.00 0.00 -0.76 0.00 0.00 57.45 57.00 3hm8 n PHE 718 Cb 0.14 -2.60 0.00 0.00 0.35 0.00 0.00 39.48 37.37 3hm8 n PHE 718 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3hm8 n GLY 719 N 2.18 0.91 0.31 7.13 0.00 -1.26 -2.43 105.19 112.02 3hm8 n GLY 719 Ca 0.09 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.29 3hm8 n GLY 719 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3hm8 h ASP 720 N 0.00 0.00 0.03 1.61 5.19 -1.68 0.29 116.42 121.86 3hm8 h ASP 720 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3hm8 h ASP 720 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 3hm8 h ASP 720 CO 0.00 0.02 0.00 -0.90 -3.12 0.00 0.00 179.24 175.24 3hm8 n ASP 721 N -3.41 0.00 0.00 6.45 5.68 -1.26 -4.86 116.55 119.14 3hm8 n ASP 721 Ca -0.02 -0.67 0.00 0.00 -0.50 0.00 0.00 54.79 53.59 3hm8 n ASP 721 Cb 0.12 -0.02 0.00 0.00 -1.14 0.00 0.00 41.12 40.08 3hm8 n ASP 721 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3hm8 n GLY 722 N 0.47 0.62 0.06 6.12 0.00 0.10 -4.95 105.19 107.61 3hm8 n GLY 722 Ca 0.17 -0.23 0.12 0.00 0.00 0.00 0.00 46.02 46.07 3hm8 n GLY 722 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3hm8 n SER 723 N 0.42 0.38 -1.72 1.61 3.41 -1.22 -2.89 113.62 113.61 3hm8 n SER 723 Ca 0.00 0.56 -0.16 0.00 -0.26 0.00 0.00 58.87 59.01 3hm8 n SER 723 Cb 0.00 -0.65 0.16 0.00 -0.26 0.00 0.00 64.21 63.45 3hm8 n SER 723 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3hm8 n LEU 724 N -1.88 5.45 0.04 1.04 4.77 -1.26 -4.55 117.00 120.61 3hm8 n LEU 724 Ca 0.05 -3.93 0.01 0.00 -0.03 0.00 0.00 56.01 52.11 3hm8 n LEU 724 Cb 0.30 -0.71 0.35 0.00 -2.33 0.00 0.00 43.42 41.03 3hm8 n LEU 724 CO 0.23 1.34 0.96 0.00 -1.33 0.00 0.00 177.39 178.60 3hm8 h ALA 725 N 1.28 1.47 -0.91 -1.18 0.00 -1.86 -2.15 119.26 115.92 3hm8 h ALA 725 Ca 0.41 -0.17 0.22 0.00 0.00 0.00 0.00 54.91 55.37 3hm8 h ALA 725 Cb 1.83 -0.13 -0.12 0.00 0.00 0.00 0.00 17.79 19.37 3hm8 h ALA 725 CO 0.80 0.38 0.43 0.00 0.00 0.00 0.00 179.25 180.86 3hm8 h MET 726 N 0.43 0.43 0.13 0.00 -0.00 -1.87 -3.17 114.93 110.88 3hm8 h MET 726 Ca 0.10 -0.03 -0.33 0.00 -0.00 0.00 0.00 59.70 59.44 3hm8 h MET 726 Cb 0.27 -0.10 -0.01 0.00 -0.00 0.00 0.00 31.60 31.77 3hm8 h MET 726 CO 0.01 0.29 -1.71 -0.07 -0.00 0.00 0.00 176.91 175.42 3hm8 h LEU 727 N 0.44 0.42 -9.19 -0.10 3.38 -1.76 -3.47 115.31 105.04 3hm8 h LEU 727 Ca 0.56 -0.88 -0.72 0.00 0.09 0.00 0.00 57.88 56.93 3hm8 h LEU 727 Cb 1.05 -0.14 0.02 0.00 0.09 0.00 0.00 40.66 41.69 3hm8 h LEU 727 CO -0.51 1.75 0.82 -1.20 0.09 0.00 0.00 178.44 179.38 3hm8 n SER 728 N -3.72 2.31 -4.79 -0.43 7.64 -0.99 -4.96 113.62 108.67 3hm8 n SER 728 Ca -0.28 1.08 -0.25 0.00 1.01 0.00 0.00 58.87 60.42 3hm8 n SER 728 Cb 0.98 -1.17 0.09 0.00 -1.01 0.00 0.00 64.21 63.10 3hm8 n SER 728 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3hm8 s THR 729 N 2.87 2.27 0.48 0.44 -4.23 -1.26 -4.95 115.64 111.25 3hm8 s THR 729 Ca 0.95 -0.37 0.14 0.00 -1.18 0.00 0.00 61.69 61.23 3hm8 s THR 729 Cb -1.01 -2.91 0.23 0.00 1.34 0.00 0.00 72.50 70.15 3hm8 s THR 729 CO 0.60 0.00 2.06 0.08 -0.54 0.00 0.00 174.62 176.83 3hm8 h ARG 730 N -0.60 0.05 -0.14 3.99 0.11 -2.00 -2.26 114.38 113.53 3hm8 h ARG 730 Ca -0.42 -0.01 -0.21 0.00 0.10 0.00 0.00 59.98 59.44 3hm8 h ARG 730 Cb 1.29 -0.01 0.01 0.00 1.11 0.00 0.00 29.97 32.37 3hm8 h ARG 730 CO 0.52 0.12 -0.75 0.74 0.10 0.00 0.00 179.97 180.70 3hm8 h PHE 731 N 0.05 0.92 -0.63 4.08 0.04 -1.94 -0.53 116.94 118.93 3hm8 h PHE 731 Ca 0.01 -0.40 0.00 0.00 2.80 0.00 0.00 57.97 60.38 3hm8 h PHE 731 Cb 0.15 -0.14 -0.03 0.00 2.20 0.00 0.00 35.95 38.13 3hm8 h PHE 731 CO 0.00 1.21 0.40 -0.44 -0.60 0.00 0.00 178.31 178.88 3hm8 h ASP 732 N 0.47 0.74 0.22 2.17 3.32 -1.86 -1.81 116.42 119.67 3hm8 h ASP 732 Ca -0.04 -0.04 -0.01 0.00 0.02 0.00 0.00 57.03 56.96 3hm8 h ASP 732 Cb 1.36 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 40.72 3hm8 h ASP 732 CO 0.15 0.56 -0.14 0.00 -1.72 0.00 0.00 179.24 178.09 3hm8 h ALA 733 N 1.22 -0.34 -0.56 3.45 0.00 -1.18 -1.33 119.26 120.53 3hm8 h ALA 733 Ca 0.23 -0.06 0.09 0.00 0.00 0.00 0.00 54.91 55.17 3hm8 h ALA 733 Cb -0.07 0.17 -0.07 0.00 0.00 0.00 0.00 17.79 17.82 3hm8 h ALA 733 CO -0.05 -0.70 0.14 1.03 0.00 0.00 0.00 179.25 179.68 3hm8 h SER 734 N -0.35 0.07 -0.01 0.00 0.87 -0.95 -1.16 113.55 112.02 3hm8 h SER 734 Ca -0.02 0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.63 3hm8 h SER 734 Cb 0.29 0.11 -0.00 0.00 -0.44 0.00 0.00 62.40 62.36 3hm8 h SER 734 CO 0.02 0.05 0.01 0.58 -0.53 0.00 0.00 176.83 176.96 3hm8 h VAL 735 N 0.29 1.01 0.26 2.23 2.07 -1.17 -2.11 116.25 118.84 3hm8 h VAL 735 Ca 0.28 -0.02 -0.00 0.00 0.82 0.00 0.00 66.70 67.78 3hm8 h VAL 735 Cb 0.38 1.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 3hm8 h VAL 735 CO -0.34 0.01 -0.19 -0.78 0.02 0.00 0.00 177.57 176.29 3hm8 h ASP 736 N 0.01 -0.49 -0.57 0.57 3.58 -0.76 -2.27 116.42 116.49 3hm8 h ASP 736 Ca 0.01 0.04 0.05 0.00 0.42 0.00 0.00 57.03 57.54 3hm8 h ASP 736 Cb 0.00 0.16 -0.03 0.00 1.72 0.00 0.00 39.33 41.18 3hm8 h ASP 736 CO -0.00 -0.30 0.38 1.56 -2.88 0.00 0.00 179.24 178.00 3hm8 h GLN 737 N -0.45 0.57 -0.02 0.28 1.08 -1.25 -1.15 115.11 114.16 3hm8 h GLN 737 Ca -0.02 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.15 3hm8 h GLN 737 Cb 0.40 -0.13 0.00 0.00 -0.05 0.00 0.00 27.48 27.70 3hm8 h GLN 737 CO -0.00 0.38 0.00 0.00 -0.95 0.00 0.00 178.83 178.25 3hm8 n ALA 738 N -2.48 2.61 -2.34 3.87 0.00 -0.79 -4.83 120.51 116.55 3hm8 n ALA 738 Ca 0.07 -0.21 -0.21 0.00 0.00 0.00 0.00 53.44 53.10 3hm8 n ALA 738 Cb 0.20 -1.31 0.01 0.00 0.00 0.00 0.00 19.45 18.35 3hm8 n ALA 738 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3hm8 s SER 739 N -1.68 5.83 0.28 0.00 1.04 -0.43 -5.00 113.70 113.74 3hm8 s SER 739 Ca 0.33 0.08 0.02 0.00 0.48 0.00 0.00 55.95 56.86 3hm8 s SER 739 Cb 0.16 -1.35 0.62 0.00 0.10 0.00 0.00 66.02 65.54 3hm8 s SER 739 CO 0.26 -0.65 1.78 0.40 0.98 0.00 0.00 173.24 176.01 3hm8 h ILE 740 N 0.55 0.75 -2.46 -1.02 2.04 -1.90 -3.31 117.51 112.16 3hm8 h ILE 740 Ca -0.46 -0.25 -0.60 0.00 1.00 0.00 0.00 64.86 64.55 3hm8 h ILE 740 Cb 1.26 -0.06 -0.42 0.00 -0.74 0.00 0.00 36.82 36.86 3hm8 h ILE 740 CO 0.55 0.14 -0.62 -0.46 0.00 0.00 0.00 178.15 177.75 3hm8 n ASN 741 N -4.79 3.23 -4.77 1.72 6.94 -1.26 -5.09 115.26 111.24 3hm8 n ASN 741 Ca 0.20 -3.31 -0.41 0.00 -0.02 0.00 0.00 54.58 51.04 3hm8 n ASN 741 Cb 0.48 -0.69 -0.01 0.00 -2.36 0.00 0.00 39.78 37.20 3hm8 n ASN 741 CO 0.00 0.00 0.00 -2.84 -1.03 0.00 0.00 177.26 173.39 3hm8 s PRO 742 N -2.03 4.14 0.00 -0.53 0.02 -1.25 -1.91 135.00 133.43 3hm8 s PRO 742 Ca 0.35 2.54 0.00 0.00 0.02 0.00 0.00 61.00 63.91 3hm8 s PRO 742 Cb 0.09 -3.00 0.00 0.00 0.02 0.00 0.00 34.50 31.61 3hm8 s PRO 742 CO -0.07 -0.53 0.00 0.41 -0.33 0.00 0.00 177.00 176.48 3hm8 n GLY 743 N 1.03 3.04 3.92 0.52 0.00 -1.26 -5.01 105.19 107.43 3hm8 n GLY 743 Ca 0.03 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.77 3hm8 n GLY 743 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hm8 s LYS 744 N -0.19 3.52 -1.48 1.61 -2.85 -0.80 -4.51 119.74 115.04 3hm8 s LYS 744 Ca 0.00 -0.35 -0.08 0.00 -1.00 0.00 0.00 55.97 54.54 3hm8 s LYS 744 Cb 0.00 -2.87 0.06 0.00 -2.06 0.00 0.00 37.83 32.96 3hm8 s LYS 744 CO 0.00 0.44 0.74 1.04 0.10 0.00 0.00 175.35 177.67 3hm8 n GLN 745 N -0.49 -4.41 -0.11 1.78 1.13 -1.26 -4.89 117.38 109.13 3hm8 n GLN 745 Ca -0.05 0.52 -0.09 0.00 -1.94 0.00 0.00 57.00 55.44 3hm8 n GLN 745 Cb 0.53 -5.10 -0.01 0.00 0.11 0.00 0.00 30.24 25.77 3hm8 n GLN 745 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3hm8 h ARG 746 N -1.87 0.51 -0.55 -1.09 3.08 -1.73 -2.09 114.38 110.64 3hm8 h ARG 746 Ca -0.60 -0.07 -0.05 0.00 0.07 0.00 0.00 59.98 59.32 3hm8 h ARG 746 Cb 1.37 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 31.31 3hm8 h ARG 746 CO 0.65 0.46 0.14 0.35 -1.07 0.00 0.00 179.97 180.50 3hm8 h PHE 747 N 0.44 0.86 -0.49 3.04 3.57 -1.06 -2.11 116.94 121.19 3hm8 h PHE 747 Ca 0.12 -0.08 -0.04 0.00 3.53 0.00 0.00 57.97 61.51 3hm8 h PHE 747 Cb 0.12 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 38.58 3hm8 h PHE 747 CO -0.02 0.71 0.14 1.49 -2.23 0.00 0.00 178.31 178.40 3hm8 h GLU 748 N 0.81 0.73 0.00 1.11 4.81 -0.85 -2.77 114.58 118.42 3hm8 h GLU 748 Ca 0.18 -0.13 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 3hm8 h GLU 748 Cb 0.28 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.54 3hm8 h GLU 748 CO -0.00 0.65 0.00 1.63 -0.73 0.00 0.00 179.01 180.55 3hm8 n LYS 749 N -4.31 0.21 -0.12 1.92 5.02 -0.80 -1.67 118.16 118.41 3hm8 n LYS 749 Ca 0.04 0.12 0.09 0.00 -2.02 0.00 0.00 58.31 56.53 3hm8 n LYS 749 Cb 0.20 -1.50 0.15 0.00 -0.02 0.00 0.00 35.03 33.85 3hm8 n LYS 749 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 3hm8 n MET 750 N -1.34 2.02 0.00 1.97 2.81 -1.05 -4.60 117.12 116.94 3hm8 n MET 750 Ca 0.08 -1.90 0.00 0.00 -1.81 0.00 0.00 57.70 54.07 3hm8 n MET 750 Cb 0.17 -1.37 0.00 0.00 -0.71 0.00 0.00 33.22 31.31 3hm8 n MET 750 CO 0.00 0.00 0.00 -0.89 1.51 0.00 0.00 175.97 176.59 3hm8 n ILE 751 N 1.04 0.00 -2.07 2.02 5.41 -0.89 -4.17 119.36 120.70 3hm8 n ILE 751 Ca 0.14 0.00 -0.30 0.00 1.00 0.00 0.00 62.75 63.59 3hm8 n ILE 751 Cb 0.48 -0.63 0.01 0.00 -0.71 0.00 0.00 39.64 38.79 3hm8 n ILE 751 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 3hm8 s SER 752 N -4.66 6.24 0.42 4.38 1.04 -0.67 -4.79 113.70 115.65 3hm8 s SER 752 Ca 0.00 1.30 0.13 0.00 0.48 0.00 0.00 55.95 57.86 3hm8 s SER 752 Cb 0.00 -2.41 0.99 0.00 0.10 0.00 0.00 66.02 64.69 3hm8 s SER 752 CO 0.00 -0.79 1.95 1.23 0.98 0.00 0.00 173.24 176.60 3hm8 h GLY 753 N -0.17 0.72 1.73 7.32 0.00 -0.57 -1.57 103.07 110.52 3hm8 h GLY 753 Ca -0.45 -0.20 -0.02 0.00 0.00 0.00 0.00 47.33 46.66 3hm8 h GLY 753 CO 0.62 0.10 0.05 1.98 0.00 0.00 0.00 176.54 179.29 3hm8 h MET 754 N 0.48 0.35 0.00 4.80 1.85 -1.65 -3.35 114.93 117.40 3hm8 h MET 754 Ca 0.33 -0.05 -0.20 0.00 -0.61 0.00 0.00 59.70 59.18 3hm8 h MET 754 Cb 0.64 -0.06 -0.04 0.00 0.43 0.00 0.00 31.60 32.56 3hm8 h MET 754 CO -0.11 0.33 -1.75 0.66 -0.40 0.00 0.00 176.91 175.65 3hm8 n TYR 755 N -4.39 0.00 -0.06 1.39 4.01 -0.67 -4.70 117.16 112.74 3hm8 n TYR 755 Ca 0.01 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.67 3hm8 n TYR 755 Cb 0.16 -0.53 -0.01 0.00 -0.31 0.00 0.00 39.34 38.65 3hm8 n TYR 755 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 3hm8 h LEU 756 N 0.00 -0.32 -1.84 7.72 3.38 -1.48 -0.54 115.31 122.22 3hm8 h LEU 756 Ca -0.29 0.09 0.28 0.00 0.09 0.00 0.00 57.88 58.04 3hm8 h LEU 756 Cb 1.64 0.19 -0.05 0.00 0.09 0.00 0.00 40.66 42.54 3hm8 h LEU 756 CO 0.01 -0.12 0.70 1.23 0.09 0.00 0.00 178.44 180.35 3hm8 h GLY 757 N -0.04 0.30 1.30 0.83 0.00 -1.76 0.12 103.07 103.82 3hm8 h GLY 757 Ca 0.13 -0.06 -0.28 0.00 0.00 0.00 0.00 47.33 47.13 3hm8 h GLY 757 CO -0.29 -0.02 -1.16 0.83 0.00 0.00 0.00 176.54 175.89 3hm8 h GLU 758 N 0.11 0.60 -0.81 4.80 4.39 -1.34 -2.75 114.58 119.57 3hm8 h GLU 758 Ca 0.49 -0.74 0.10 0.00 0.34 0.00 0.00 59.36 59.55 3hm8 h GLU 758 Cb 1.76 0.24 -0.08 0.00 -0.10 0.00 0.00 28.75 30.57 3hm8 h GLU 758 CO -0.07 1.32 0.45 0.82 -1.16 0.00 0.00 179.01 180.37 3hm8 h ILE 759 N 0.29 0.88 0.12 3.13 2.04 -0.25 -0.76 117.51 122.96 3hm8 h ILE 759 Ca -0.16 -0.26 -0.01 0.00 1.00 0.00 0.00 64.86 65.44 3hm8 h ILE 759 Cb 1.82 0.07 0.00 0.00 -0.74 0.00 0.00 36.82 37.97 3hm8 h ILE 759 CO 0.22 0.14 -0.06 0.58 0.00 0.00 0.00 178.15 179.03 3hm8 h VAL 760 N 0.75 0.91 -0.64 1.67 2.07 -1.43 -2.75 116.25 116.84 3hm8 h VAL 760 Ca 0.40 -0.10 0.09 0.00 0.82 0.00 0.00 66.70 67.91 3hm8 h VAL 760 Cb 0.40 0.98 -0.07 0.00 -1.52 0.00 0.00 31.29 31.08 3hm8 h VAL 760 CO -0.26 0.03 0.27 -0.09 0.02 0.00 0.00 177.57 177.53 3hm8 h ARG 761 N -0.20 0.46 -0.68 1.57 2.43 -0.87 0.35 114.38 117.43 3hm8 h ARG 761 Ca -0.02 -0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.05 3hm8 h ARG 761 Cb 0.16 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.58 3hm8 h ARG 761 CO 0.03 0.30 0.12 0.45 -1.51 0.00 0.00 179.97 179.36 3hm8 h HIS 762 N 0.47 1.18 0.01 2.20 3.86 -1.27 0.09 115.15 121.69 3hm8 h HIS 762 Ca 0.32 -0.16 0.01 0.00 -1.16 0.00 0.00 60.37 59.39 3hm8 h HIS 762 Cb 0.38 -0.33 -0.02 0.00 1.06 0.00 0.00 27.41 28.50 3hm8 h HIS 762 CO -0.15 0.98 -0.09 0.82 0.86 0.00 0.00 177.93 180.35 3hm8 h ILE 763 N 1.04 0.77 -0.75 2.45 2.04 -0.89 0.18 117.51 122.36 3hm8 h ILE 763 Ca 0.21 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.13 3hm8 h ILE 763 Cb 0.42 0.77 -0.06 0.00 -0.74 0.00 0.00 36.82 37.21 3hm8 h ILE 763 CO 0.01 0.00 0.44 -0.07 0.00 0.00 0.00 178.15 178.53 3hm8 h LEU 764 N -0.16 0.68 -0.22 1.44 3.38 -0.69 0.13 115.31 119.86 3hm8 h LEU 764 Ca 0.03 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3hm8 h LEU 764 Cb 0.20 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 3hm8 h LEU 764 CO -0.09 0.44 0.14 -0.07 0.09 0.00 0.00 178.44 178.95 3hm8 h LEU 765 N 0.81 0.24 -0.39 1.67 3.38 -0.45 -0.47 115.31 120.11 3hm8 h LEU 765 Ca 0.33 -0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.31 3hm8 h LEU 765 Cb 0.17 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 3hm8 h LEU 765 CO -0.17 0.17 0.23 -0.74 0.09 0.00 0.00 178.44 178.02 3hm8 h HIS 766 N 0.29 0.43 -0.59 1.13 2.76 0.15 -2.32 115.15 117.00 3hm8 h HIS 766 Ca 0.08 0.01 0.03 0.00 -2.20 0.00 0.00 60.37 58.30 3hm8 h HIS 766 Cb -0.02 -0.14 -0.04 0.00 1.55 0.00 0.00 27.41 28.76 3hm8 h HIS 766 CO -0.07 0.26 0.36 -0.07 -1.30 0.00 0.00 177.93 177.11 3hm8 h LEU 767 N 0.47 0.58 -0.52 0.26 3.38 -0.51 -1.76 115.31 117.22 3hm8 h LEU 767 Ca 0.15 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 3hm8 h LEU 767 Cb -0.00 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 3hm8 h LEU 767 CO -0.07 0.41 0.31 0.71 0.09 0.00 0.00 178.44 179.89 3hm8 h THR 768 N 0.71 1.17 0.00 0.22 1.35 -0.83 -2.06 112.91 113.46 3hm8 h THR 768 Ca 0.24 -0.39 -0.04 0.00 -0.55 0.00 0.00 66.41 65.67 3hm8 h THR 768 Cb 0.03 0.47 -0.01 0.00 -1.73 0.00 0.00 68.15 66.92 3hm8 h THR 768 CO -0.10 0.17 -0.19 0.77 -0.25 0.00 0.00 175.52 175.92 3hm8 h SER 769 N 0.70 0.00 1.07 5.36 4.64 -1.06 -0.82 113.55 123.44 3hm8 h SER 769 Ca 0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 3hm8 h SER 769 Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 3hm8 h SER 769 CO -0.03 0.19 0.00 0.18 -0.87 0.00 0.00 176.83 176.30 3hm8 n LEU 770 N -4.04 0.33 0.00 5.97 4.77 -0.69 -4.91 117.00 118.43 3hm8 n LEU 770 Ca -0.02 0.54 0.00 0.00 -0.03 0.00 0.00 56.01 56.50 3hm8 n LEU 770 Cb 0.27 -0.45 0.00 0.00 -2.33 0.00 0.00 43.42 40.91 3hm8 n LEU 770 CO 0.34 -0.14 0.00 0.61 -1.33 0.00 0.00 177.39 176.87 3hm8 n GLY 771 N 1.11 0.80 0.12 -0.72 0.00 -0.31 -4.96 105.19 101.23 3hm8 n GLY 771 Ca 0.06 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.95 3hm8 n GLY 771 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3hm8 h VAL 772 N 0.00 1.02 -2.03 1.61 2.07 -1.60 -3.46 116.25 113.85 3hm8 h VAL 772 Ca 0.00 -0.83 -0.51 0.00 0.82 0.00 0.00 66.70 66.17 3hm8 h VAL 772 Cb 0.00 1.53 -0.05 0.00 -1.52 0.00 0.00 31.29 31.24 3hm8 h VAL 772 CO 0.00 0.19 -0.52 -0.22 0.02 0.00 0.00 177.57 177.05 3hm8 s LEU 773 N -9.39 3.58 -0.47 2.57 2.96 -1.19 -4.85 118.68 111.89 3hm8 s LEU 773 Ca -0.15 -0.46 -0.36 0.00 -0.22 0.00 0.00 54.13 52.94 3hm8 s LEU 773 Cb 0.02 -2.13 0.05 0.00 0.50 0.00 0.00 46.19 44.63 3hm8 s LEU 773 CO 0.60 -0.18 0.66 0.49 -1.32 0.00 0.00 176.35 176.60 3hm8 n PHE 774 N -1.20 -2.74 -2.06 5.38 3.72 -1.26 -4.32 117.46 114.96 3hm8 n PHE 774 Ca -0.05 1.15 -0.33 0.00 -0.05 0.00 0.00 57.45 58.16 3hm8 n PHE 774 Cb 0.59 -2.03 -0.04 0.00 -0.94 0.00 0.00 39.48 37.06 3hm8 n PHE 774 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 176.76 175.73 3hm8 s ARG 775 N -2.58 2.62 0.00 -1.08 1.70 -1.26 -4.28 118.95 114.08 3hm8 s ARG 775 Ca 0.36 0.17 0.00 0.00 -0.47 0.00 0.00 55.73 55.79 3hm8 s ARG 775 Cb -0.04 -4.69 0.00 0.00 -0.57 0.00 0.00 34.95 29.65 3hm8 s ARG 775 CO 0.87 -2.99 0.00 0.41 -1.08 0.00 0.00 175.30 172.51 3hm8 n GLY 776 N 6.21 2.68 3.67 3.88 0.00 -1.26 -5.02 105.19 115.35 3hm8 n GLY 776 Ca 0.29 -0.27 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 3hm8 n GLY 776 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3hm8 s GLN 777 N 0.00 4.28 -0.52 1.61 -2.07 -1.26 -4.95 119.66 116.75 3hm8 s GLN 777 Ca 0.00 1.63 -0.27 0.00 -1.82 0.00 0.00 55.36 54.90 3hm8 s GLN 777 Cb 0.00 -3.69 -0.01 0.00 -1.09 0.00 0.00 33.01 28.22 3hm8 s GLN 777 CO 0.00 -0.61 1.76 -1.14 -1.32 0.00 0.00 175.29 173.97 3hm8 s GLN 778 N 3.05 2.97 -1.23 9.60 -0.44 -1.26 -4.89 119.66 127.46 3hm8 s GLN 778 Ca 0.54 0.83 -0.12 0.00 -2.50 0.00 0.00 55.36 54.11 3hm8 s GLN 778 Cb -0.22 -4.28 0.18 0.00 -1.64 0.00 0.00 33.01 27.05 3hm8 s GLN 778 CO 0.16 -2.32 1.58 -0.89 0.50 0.00 0.00 175.29 174.32 3hm8 n ILE 779 N 7.21 4.32 -0.28 -2.34 2.08 -1.26 -4.74 119.36 124.35 3hm8 n ILE 779 Ca 0.20 -4.66 0.09 0.00 0.56 0.00 0.00 62.75 58.93 3hm8 n ILE 779 Cb 0.50 -2.43 0.32 0.00 -0.75 0.00 0.00 39.64 37.29 3hm8 n ILE 779 CO 0.00 0.00 0.00 0.06 0.56 0.00 0.00 176.55 177.17 3hm8 h GLN 780 N 6.62 0.79 -0.96 0.38 3.07 -1.95 0.20 115.11 123.26 3hm8 h GLN 780 Ca 0.34 -0.05 0.28 0.00 0.09 0.00 0.00 58.65 59.31 3hm8 h GLN 780 Cb 0.79 -0.18 -0.04 0.00 0.08 0.00 0.00 27.48 28.13 3hm8 h GLN 780 CO 1.37 0.53 0.71 -0.09 0.09 0.00 0.00 178.83 181.44 3hm8 h ARG 781 N 0.82 0.00 0.00 0.06 9.65 -1.89 0.56 114.38 123.58 3hm8 h ARG 781 Ca 0.43 0.00 -0.03 0.00 -1.10 0.00 0.00 59.98 59.28 3hm8 h ARG 781 Cb 0.53 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.10 3hm8 h ARG 781 CO -0.19 0.00 -0.13 1.25 2.80 0.00 0.00 179.97 183.69 3hm8 h LEU 782 N 0.00 0.00 -1.12 3.80 5.85 -1.32 -2.12 115.31 120.40 3hm8 h LEU 782 Ca 0.46 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 59.18 3hm8 h LEU 782 Cb 1.88 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.91 3hm8 h LEU 782 CO -0.00 0.13 -0.00 1.56 -0.34 0.00 0.00 178.44 179.79 3hm8 h GLN 783 N 0.00 0.00 -6.45 1.25 1.08 0.02 -3.45 115.11 107.57 3hm8 h GLN 783 Ca -0.00 0.00 -0.54 0.00 -1.45 0.00 0.00 58.65 56.66 3hm8 h GLN 783 Cb 0.53 0.00 0.02 0.00 -0.05 0.00 0.00 27.48 27.97 3hm8 h GLN 783 CO 0.02 0.00 0.91 0.99 -0.95 0.00 0.00 178.83 179.80 3hm8 s THR 784 N -3.56 3.24 0.45 -0.54 2.01 -0.80 -4.98 115.64 111.45 3hm8 s THR 784 Ca 0.02 0.71 -0.23 0.00 0.31 0.00 0.00 61.69 62.51 3hm8 s THR 784 Cb 0.08 -3.46 -0.08 0.00 0.01 0.00 0.00 72.50 69.05 3hm8 s THR 784 CO 0.57 0.01 1.12 -0.13 -0.69 0.00 0.00 174.62 175.50 3hm8 s ARG 785 N 2.32 3.87 -1.40 4.92 0.52 -1.26 -4.12 118.95 123.80 3hm8 s ARG 785 Ca 0.70 1.66 -0.09 0.00 -0.52 0.00 0.00 55.73 57.47 3hm8 s ARG 785 Cb -0.37 -2.41 0.03 0.00 0.52 0.00 0.00 34.95 32.72 3hm8 s ARG 785 CO 0.30 -0.43 1.09 -0.25 0.02 0.00 0.00 175.30 176.04 3hm8 n ASP 786 N -0.42 -5.38 0.04 0.23 8.00 -1.26 -4.92 116.55 112.85 3hm8 n ASP 786 Ca 0.07 -0.63 -0.09 0.00 0.71 0.00 0.00 54.79 54.85 3hm8 n ASP 786 Cb 0.49 -4.66 -0.13 0.00 -0.02 0.00 0.00 41.12 36.80 3hm8 n ASP 786 CO 0.00 0.00 0.00 0.16 -0.39 0.00 0.00 177.20 176.97 3hm8 h ILE 787 N -2.43 1.40 -3.09 0.53 3.07 -1.92 -3.41 117.51 111.65 3hm8 h ILE 787 Ca -0.58 -3.13 -0.74 0.00 1.55 0.00 0.00 64.86 61.97 3hm8 h ILE 787 Cb 1.37 2.73 -0.22 0.00 -0.27 0.00 0.00 36.82 40.43 3hm8 h ILE 787 CO 0.59 0.82 0.46 -0.36 -1.05 0.00 0.00 178.15 178.61 3hm8 s PHE 788 N -2.66 3.42 0.47 0.16 0.08 -1.26 -5.00 117.98 113.18 3hm8 s PHE 788 Ca -0.02 -1.66 -0.02 0.00 0.12 0.00 0.00 56.93 55.35 3hm8 s PHE 788 Cb 0.09 -4.06 -0.01 0.00 -0.57 0.00 0.00 43.02 38.47 3hm8 s PHE 788 CO 0.83 -1.25 0.71 0.15 -0.10 0.00 0.00 175.22 175.57 3hm8 s LYS 789 N 1.49 3.15 0.18 0.44 1.02 -1.26 -3.92 119.74 120.84 3hm8 s LYS 789 Ca 0.25 -0.29 -0.15 0.00 0.02 0.00 0.00 55.97 55.80 3hm8 s LYS 789 Cb -0.08 -2.49 0.16 0.00 -0.52 0.00 0.00 37.83 34.90 3hm8 s LYS 789 CO -0.09 -0.29 1.67 1.15 -0.92 0.00 0.00 175.35 176.87 3hm8 h THR 790 N 0.31 0.56 -0.88 2.17 2.02 -1.97 0.33 112.91 115.46 3hm8 h THR 790 Ca -0.47 -0.02 0.17 0.00 0.77 0.00 0.00 66.41 66.87 3hm8 h THR 790 Cb 1.24 0.51 -0.10 0.00 -1.74 0.00 0.00 68.15 68.06 3hm8 h THR 790 CO 0.59 0.01 0.45 0.11 0.37 0.00 0.00 175.52 177.04 3hm8 h LYS 791 N 0.05 0.57 0.18 6.66 1.57 -1.96 0.31 116.57 123.94 3hm8 h LYS 791 Ca 0.24 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.98 3hm8 h LYS 791 Cb 0.37 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.55 3hm8 h LYS 791 CO -0.46 0.37 -0.09 0.35 -0.57 0.00 0.00 179.45 179.06 3hm8 h PHE 792 N 0.58 -0.23 -0.84 -1.35 3.57 -1.28 -2.48 116.94 114.91 3hm8 h PHE 792 Ca 0.50 -0.01 0.17 0.00 3.53 0.00 0.00 57.97 62.17 3hm8 h PHE 792 Cb 0.79 0.07 -0.06 0.00 2.79 0.00 0.00 35.95 39.54 3hm8 h PHE 792 CO -0.09 0.18 0.55 -0.07 -2.23 0.00 0.00 178.31 176.65 3hm8 h LEU 793 N -0.75 0.45 -0.34 0.59 3.38 0.13 0.23 115.31 119.01 3hm8 h LEU 793 Ca -0.02 0.03 -0.19 0.00 0.09 0.00 0.00 57.88 57.79 3hm8 h LEU 793 Cb 0.51 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 3hm8 h LEU 793 CO 0.04 0.21 -0.82 0.28 0.09 0.00 0.00 178.44 178.25 3hm8 h SER 794 N 0.47 0.37 -0.06 -0.43 0.02 -1.01 -3.21 113.55 109.70 3hm8 h SER 794 Ca 0.43 -0.27 -0.11 0.00 -0.84 0.00 0.00 61.79 60.99 3hm8 h SER 794 Cb 0.94 -0.11 0.01 0.00 0.14 0.00 0.00 62.40 63.38 3hm8 h SER 794 CO -0.16 1.04 -0.39 -0.33 -1.14 0.00 0.00 176.83 175.84 3hm8 h GLU 795 N 0.18 0.38 -0.99 3.45 5.08 -0.47 -3.27 114.58 118.95 3hm8 h GLU 795 Ca -0.04 -0.32 0.11 0.00 -1.00 0.00 0.00 59.36 58.10 3hm8 h GLU 795 Cb 1.42 0.07 -0.08 0.00 0.50 0.00 0.00 28.75 30.66 3hm8 h GLU 795 CO 0.13 0.97 0.63 0.82 -1.00 0.00 0.00 179.01 180.56 3hm8 h ILE 796 N -0.11 0.95 -0.00 3.13 2.04 -0.74 -2.29 117.51 120.49 3hm8 h ILE 796 Ca -0.03 -0.35 0.00 0.00 1.00 0.00 0.00 64.86 65.48 3hm8 h ILE 796 Cb 1.06 -0.14 0.00 0.00 -0.74 0.00 0.00 36.82 37.00 3hm8 h ILE 796 CO 0.08 0.18 -0.14 -1.84 0.00 0.00 0.00 178.15 176.43 3hm8 n GLU 797 N -4.58 0.30 -1.65 2.37 0.00 -1.21 -4.91 120.64 110.95 3hm8 n GLU 797 Ca 0.18 -0.09 -0.49 0.00 0.00 0.00 0.00 57.16 56.76 3hm8 n GLU 797 Cb 0.32 -1.50 -0.05 0.00 0.00 0.00 0.00 31.44 30.21 3hm8 n GLU 797 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 3hm8 n SER 798 N -1.28 2.59 0.09 -1.84 2.88 -0.86 -4.83 113.62 110.37 3hm8 n SER 798 Ca 0.10 1.08 0.11 0.00 -1.33 0.00 0.00 58.87 58.83 3hm8 n SER 798 Cb 0.31 -1.32 0.44 0.00 -0.75 0.00 0.00 64.21 62.89 3hm8 n SER 798 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 3hm8 n ASP 799 N 3.60 0.48 -0.35 -3.46 5.75 -1.26 -2.06 116.55 119.25 3hm8 n ASP 799 Ca 0.19 0.61 0.13 0.00 -0.01 0.00 0.00 54.79 55.71 3hm8 n ASP 799 Cb 0.24 -0.72 0.39 0.00 -1.03 0.00 0.00 41.12 40.00 3hm8 n ASP 799 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 3hm8 n SER 800 N -2.03 1.29 -4.68 -1.12 3.41 -1.26 -4.84 113.62 104.39 3hm8 n SER 800 Ca 0.03 -1.14 -0.40 0.00 -0.26 0.00 0.00 58.87 57.10 3hm8 n SER 800 Cb 0.23 0.11 -0.05 0.00 -0.26 0.00 0.00 64.21 64.23 3hm8 n SER 800 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3hm8 s LEU 801 N -2.34 4.21 0.31 1.04 1.43 -0.87 -5.06 118.68 117.39 3hm8 s LEU 801 Ca 0.28 0.94 -0.27 0.00 -1.03 0.00 0.00 54.13 54.05 3hm8 s LEU 801 Cb 0.20 -2.94 -0.09 0.00 0.03 0.00 0.00 46.19 43.39 3hm8 s LEU 801 CO 0.46 -0.21 1.00 0.00 0.23 0.00 0.00 176.35 177.84 3hm8 s ALA 802 N 1.48 3.26 0.35 4.21 0.00 -1.26 -4.90 121.76 124.90 3hm8 s ALA 802 Ca 0.31 0.67 0.10 0.00 0.00 0.00 0.00 51.96 53.05 3hm8 s ALA 802 Cb -0.16 -3.24 0.87 0.00 0.00 0.00 0.00 23.12 20.59 3hm8 s ALA 802 CO 0.12 0.03 1.81 1.25 0.00 0.00 0.00 175.76 178.97 3hm8 h LEU 803 N 3.41 0.64 -0.76 0.00 5.85 -1.98 0.11 115.31 122.59 3hm8 h LEU 803 Ca -0.47 0.07 0.04 0.00 0.84 0.00 0.00 57.88 58.37 3hm8 h LEU 803 Cb 1.20 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 42.14 3hm8 h LEU 803 CO 0.66 0.25 0.47 0.03 -0.34 0.00 0.00 178.44 179.50 3hm8 h ARG 804 N 0.63 0.86 -0.43 1.25 -0.00 -1.99 0.11 114.38 114.82 3hm8 h ARG 804 Ca 0.53 -0.05 -0.10 0.00 -0.50 0.00 0.00 59.98 59.86 3hm8 h ARG 804 Cb 0.99 -0.19 -0.01 0.00 0.00 0.00 0.00 29.97 30.75 3hm8 h ARG 804 CO -0.29 0.57 -0.10 -0.56 0.00 0.00 0.00 179.97 179.59 3hm8 h GLN 805 N 0.89 0.84 -0.84 0.04 -0.00 -1.22 -1.74 115.11 113.08 3hm8 h GLN 805 Ca 0.31 -0.32 0.02 0.00 -0.00 0.00 0.00 58.65 58.66 3hm8 h GLN 805 Cb 0.08 -0.05 -0.04 0.00 -0.00 0.00 0.00 27.48 27.47 3hm8 h GLN 805 CO -0.14 0.95 0.55 -0.24 -0.00 0.00 0.00 178.83 179.96 3hm8 h VAL 806 N 0.67 1.18 -0.24 1.86 3.04 -0.60 -0.42 116.25 121.73 3hm8 h VAL 806 Ca 0.11 -0.38 -0.11 0.00 -1.01 0.00 0.00 66.70 65.31 3hm8 h VAL 806 Cb 0.64 -0.01 -0.01 0.00 -2.01 0.00 0.00 31.29 29.90 3hm8 h VAL 806 CO 0.04 0.20 -0.33 0.03 -1.01 0.00 0.00 177.57 176.50 3hm8 h ARG 807 N 1.09 0.51 0.08 4.17 3.08 -0.60 -2.67 114.38 120.04 3hm8 h ARG 807 Ca 0.32 -0.23 -0.00 0.00 0.07 0.00 0.00 59.98 60.14 3hm8 h ARG 807 Cb -0.06 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 29.98 3hm8 h ARG 807 CO -0.08 0.78 -0.04 0.00 -1.07 0.00 0.00 179.97 179.56 3hm8 h ALA 808 N 1.21 -0.10 -0.73 0.04 0.00 -0.66 -1.22 119.26 117.79 3hm8 h ALA 808 Ca 0.05 -0.21 0.11 0.00 0.00 0.00 0.00 54.91 54.86 3hm8 h ALA 808 Cb 0.79 0.04 -0.12 0.00 0.00 0.00 0.00 17.79 18.50 3hm8 h ALA 808 CO 0.06 -0.35 -0.41 0.82 0.00 0.00 0.00 179.25 179.38 3hm8 h ILE 809 N -0.53 0.08 -0.37 0.00 2.04 -1.09 1.28 117.51 118.92 3hm8 h ILE 809 Ca -0.01 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 65.76 3hm8 h ILE 809 Cb 0.45 0.08 -0.02 0.00 -0.74 0.00 0.00 36.82 36.59 3hm8 h ILE 809 CO 0.02 0.00 -0.15 -0.07 0.00 0.00 0.00 178.15 177.95 3hm8 h LEU 810 N -0.13 0.67 -0.89 1.44 3.38 -1.46 0.27 115.31 118.58 3hm8 h LEU 810 Ca 0.24 -0.21 -0.10 0.00 0.09 0.00 0.00 57.88 57.90 3hm8 h LEU 810 Cb 0.56 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 3hm8 h LEU 810 CO -0.79 0.84 -0.27 -0.33 0.09 0.00 0.00 178.44 177.99 3hm8 h GLU 811 N 0.61 0.51 -0.40 1.13 4.39 -0.19 1.00 114.58 121.63 3hm8 h GLU 811 Ca 0.10 -0.20 0.03 0.00 0.34 0.00 0.00 59.36 59.63 3hm8 h GLU 811 Cb 0.60 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.21 3hm8 h GLU 811 CO 0.04 0.73 0.27 0.22 -1.16 0.00 0.00 179.01 179.11 3hm8 h ASP 812 N 0.45 0.36 -0.59 1.42 -0.00 0.28 0.12 116.42 118.45 3hm8 h ASP 812 Ca 0.06 -0.00 -0.20 0.00 -0.00 0.00 0.00 57.03 56.89 3hm8 h ASP 812 Cb 0.70 -0.08 -0.12 0.00 -0.00 0.00 0.00 39.33 39.82 3hm8 h ASP 812 CO 0.05 0.25 0.26 0.18 -0.00 0.00 0.00 179.24 179.98 3hm8 n LEU 813 N -4.48 5.18 -1.55 2.28 4.77 -0.03 -4.92 117.00 118.25 3hm8 n LEU 813 Ca 0.04 -2.69 -0.15 0.00 -0.03 0.00 0.00 56.01 53.17 3hm8 n LEU 813 Cb 0.16 -0.70 -0.03 0.00 -2.33 0.00 0.00 43.42 40.52 3hm8 n LEU 813 CO 0.35 0.73 -0.18 0.61 -1.33 0.00 0.00 177.39 177.57 3hm8 n GLY 814 N -0.16 0.35 2.44 -0.72 0.00 0.40 -4.96 105.19 102.55 3hm8 n GLY 814 Ca 0.33 -0.26 -0.25 0.00 0.00 0.00 0.00 46.02 45.84 3hm8 n GLY 814 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hm8 n LEU 815 N -2.04 2.49 -4.76 0.99 4.77 0.34 -4.87 117.00 113.92 3hm8 n LEU 815 Ca -0.17 -5.23 -0.41 0.00 -0.03 0.00 0.00 56.01 50.16 3hm8 n LEU 815 Cb 0.59 -0.05 -0.01 0.00 -2.33 0.00 0.00 43.42 41.62 3hm8 n LEU 815 CO 0.22 2.18 1.18 -2.84 -1.33 0.00 0.00 177.39 176.79 3hm8 s PRO 816 N -2.38 4.16 0.16 3.23 0.02 -1.26 -3.29 135.00 135.64 3hm8 s PRO 816 Ca 0.41 2.50 0.05 0.00 0.02 0.00 0.00 61.00 63.98 3hm8 s PRO 816 Cb 0.22 -3.03 -0.04 0.00 0.02 0.00 0.00 34.50 31.67 3hm8 s PRO 816 CO -0.08 -0.54 -0.11 -0.51 -0.33 0.00 0.00 177.00 175.43 3hm8 s LEU 817 N -0.93 2.53 0.41 -5.54 1.43 -1.26 -4.95 118.68 110.37 3hm8 s LEU 817 Ca 0.59 -1.01 -0.04 0.00 -1.03 0.00 0.00 54.13 52.65 3hm8 s LEU 817 Cb -0.46 -0.43 -0.04 0.00 0.03 0.00 0.00 46.19 45.30 3hm8 s LEU 817 CO 0.51 -0.29 0.68 0.42 0.23 0.00 0.00 176.35 177.90 3hm8 s THR 818 N -3.22 4.98 0.16 5.49 -4.23 -1.26 -4.87 115.64 112.69 3hm8 s THR 818 Ca 0.18 0.00 -0.18 0.00 -1.18 0.00 0.00 61.69 60.51 3hm8 s THR 818 Cb 0.02 -3.84 0.08 0.00 1.34 0.00 0.00 72.50 70.10 3hm8 s THR 818 CO 0.02 -0.67 1.67 0.28 -0.54 0.00 0.00 174.62 175.37 3hm8 h SER 819 N 0.63 -0.38 -0.57 3.99 0.02 -1.98 0.46 113.55 115.72 3hm8 h SER 819 Ca -0.48 0.12 0.09 0.00 -0.84 0.00 0.00 61.79 60.68 3hm8 h SER 819 Cb 1.21 0.25 -0.07 0.00 0.14 0.00 0.00 62.40 63.92 3hm8 h SER 819 CO 0.62 -0.14 0.16 0.44 -1.14 0.00 0.00 176.83 176.78 3hm8 h ASP 820 N -0.02 0.10 -0.10 3.07 3.32 -1.99 0.27 116.42 121.08 3hm8 h ASP 820 Ca 0.18 0.09 -0.01 0.00 0.02 0.00 0.00 57.03 57.31 3hm8 h ASP 820 Cb 0.29 0.10 -0.00 0.00 0.22 0.00 0.00 39.33 39.94 3hm8 h ASP 820 CO -0.39 0.07 0.04 0.44 -1.72 0.00 0.00 179.24 177.68 3hm8 h ASP 821 N 0.32 0.14 -0.64 6.45 3.32 -1.54 -2.19 116.42 122.29 3hm8 h ASP 821 Ca 0.29 -0.16 0.08 0.00 0.02 0.00 0.00 57.03 57.26 3hm8 h ASP 821 Cb 0.38 -0.04 -0.06 0.00 0.22 0.00 0.00 39.33 39.83 3hm8 h ASP 821 CO -0.33 0.26 0.31 0.00 -1.72 0.00 0.00 179.24 177.76 3hm8 h ALA 822 N 0.89 0.85 -0.93 3.45 0.00 0.61 -0.08 119.26 124.04 3hm8 h ALA 822 Ca 0.03 0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.03 3hm8 h ALA 822 Cb 0.16 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.85 3hm8 h ALA 822 CO -0.00 -0.07 0.60 -0.07 0.00 0.00 0.00 179.25 179.71 3hm8 h LEU 823 N 0.55 0.99 -0.22 0.00 3.38 -0.30 -0.07 115.31 119.64 3hm8 h LEU 823 Ca 0.30 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.25 3hm8 h LEU 823 Cb 0.29 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 3hm8 h LEU 823 CO -0.24 0.67 0.07 0.24 0.09 0.00 0.00 178.44 179.27 3hm8 h MET 824 N 1.15 0.34 -0.68 1.13 2.86 -0.52 0.07 114.93 119.27 3hm8 h MET 824 Ca 0.38 -0.07 0.10 0.00 -2.06 0.00 0.00 59.70 58.05 3hm8 h MET 824 Cb 0.05 -0.05 -0.08 0.00 0.06 0.00 0.00 31.60 31.58 3hm8 h MET 824 CO -0.13 0.43 0.30 0.28 1.06 0.00 0.00 176.91 178.84 3hm8 h VAL 825 N 0.18 0.78 -0.33 -2.22 2.07 -0.67 -0.01 116.25 116.05 3hm8 h VAL 825 Ca 0.07 -0.17 -0.09 0.00 0.82 0.00 0.00 66.70 67.34 3hm8 h VAL 825 Cb 0.23 0.24 -0.02 0.00 -1.52 0.00 0.00 31.29 30.22 3hm8 h VAL 825 CO -0.00 0.09 -0.16 0.25 0.02 0.00 0.00 177.57 177.77 3hm8 h LEU 826 N 0.50 0.57 -0.42 2.57 5.85 -0.69 -2.33 115.31 121.36 3hm8 h LEU 826 Ca 0.35 -0.17 -0.04 0.00 0.84 0.00 0.00 57.88 58.86 3hm8 h LEU 826 Cb 0.43 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.29 3hm8 h LEU 826 CO -0.31 0.75 0.09 -0.08 -0.34 0.00 0.00 178.44 178.55 3hm8 h GLU 827 N 0.53 0.67 -0.54 1.25 4.81 0.16 -2.51 114.58 118.95 3hm8 h GLU 827 Ca 0.09 -0.17 0.07 0.00 -0.13 0.00 0.00 59.36 59.22 3hm8 h GLU 827 Cb 0.57 -0.09 -0.06 0.00 0.63 0.00 0.00 28.75 29.81 3hm8 h GLU 827 CO 0.04 0.69 0.22 0.28 -0.73 0.00 0.00 179.01 179.51 3hm8 h VAL 828 N 0.54 0.86 -0.19 0.32 2.07 -0.63 -0.29 116.25 118.91 3hm8 h VAL 828 Ca 0.13 -0.15 0.01 0.00 0.82 0.00 0.00 66.70 67.51 3hm8 h VAL 828 Cb 0.33 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.48 3hm8 h VAL 828 CO 0.00 0.08 0.12 0.00 0.02 0.00 0.00 177.57 177.79 3hm8 h GLN 830 N 0.25 0.25 -0.36 0.00 3.07 -1.05 -0.19 115.11 117.07 3hm8 h GLN 830 Ca 0.07 -0.02 0.07 0.00 0.09 0.00 0.00 58.65 58.87 3hm8 h GLN 830 Cb -0.01 -0.06 -0.06 0.00 0.08 0.00 0.00 27.48 27.43 3hm8 h GLN 830 CO -0.03 0.17 -0.03 0.00 0.09 0.00 0.00 178.83 179.03 3hm8 h ALA 831 N 1.18 0.30 0.19 0.06 0.00 -0.67 0.14 119.26 120.46 3hm8 h ALA 831 Ca 0.13 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 3hm8 h ALA 831 Cb 0.09 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3hm8 h ALA 831 CO -0.13 -0.42 -0.09 0.28 0.00 0.00 0.00 179.25 178.89 3hm8 h VAL 832 N 0.06 0.91 -0.23 0.00 2.07 -0.95 -2.62 116.25 115.50 3hm8 h VAL 832 Ca 0.18 -0.83 -0.01 0.00 0.82 0.00 0.00 66.70 66.86 3hm8 h VAL 832 Cb 0.26 1.38 -0.01 0.00 -1.52 0.00 0.00 31.29 31.40 3hm8 h VAL 832 CO -0.33 0.18 0.09 0.77 0.02 0.00 0.00 177.57 178.30 3hm8 h SER 833 N -0.68 0.28 0.67 0.57 4.64 -0.96 -1.30 113.55 116.77 3hm8 h SER 833 Ca -0.03 -0.02 -0.03 0.00 -0.47 0.00 0.00 61.79 61.24 3hm8 h SER 833 Cb 0.48 -0.07 0.01 0.00 -0.31 0.00 0.00 62.40 62.51 3hm8 h SER 833 CO 0.04 0.26 -0.32 -0.61 -0.87 0.00 0.00 176.83 175.33 3hm8 h GLN 834 N 0.31 -0.87 -0.76 4.77 4.15 -0.69 -0.42 115.11 121.61 3hm8 h GLN 834 Ca 0.08 0.06 0.13 0.00 0.77 0.00 0.00 58.65 59.69 3hm8 h GLN 834 Cb 0.07 0.20 -0.09 0.00 0.21 0.00 0.00 27.48 27.87 3hm8 h GLN 834 CO -0.01 -0.55 0.33 -0.09 -1.93 0.00 0.00 178.83 176.58 3hm8 h ARG 835 N -1.00 0.48 -0.19 1.69 2.43 -1.13 0.80 114.38 117.46 3hm8 h ARG 835 Ca -0.09 -0.03 0.05 0.00 -0.81 0.00 0.00 59.98 59.10 3hm8 h ARG 835 Cb 0.72 -0.11 -0.06 0.00 -0.42 0.00 0.00 29.97 30.10 3hm8 h ARG 835 CO 0.15 0.32 -0.17 0.00 -1.51 0.00 0.00 179.97 178.76 3hm8 h ALA 836 N 1.53 -0.05 -0.71 2.80 0.00 -0.99 0.27 119.26 122.10 3hm8 h ALA 836 Ca 0.41 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.36 3hm8 h ALA 836 Cb 0.59 0.37 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 3hm8 h ALA 836 CO -0.37 -0.61 0.33 0.00 0.00 0.00 0.00 179.25 178.60 3hm8 h ALA 837 N 0.90 0.92 -0.32 0.00 0.00 0.09 -2.41 119.26 118.44 3hm8 h ALA 837 Ca 0.12 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 3hm8 h ALA 837 Cb 0.37 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3hm8 h ALA 837 CO -0.30 0.49 -0.08 1.96 0.00 0.00 0.00 179.25 181.31 3hm8 h GLN 838 N 0.99 0.63 0.35 0.00 4.20 -0.28 0.43 115.11 121.42 3hm8 h GLN 838 Ca 0.24 -0.24 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 3hm8 h GLN 838 Cb 0.13 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.88 3hm8 h GLN 838 CO -0.03 0.81 -0.18 -0.07 -0.67 0.00 0.00 178.83 178.69 3hm8 h LEU 839 N 0.40 -0.43 -1.00 1.46 3.38 -0.43 0.10 115.31 118.80 3hm8 h LEU 839 Ca 0.08 0.02 0.17 0.00 0.09 0.00 0.00 57.88 58.24 3hm8 h LEU 839 Cb 0.58 0.11 -0.10 0.00 0.09 0.00 0.00 40.66 41.35 3hm8 h LEU 839 CO 0.03 -0.30 0.61 0.00 0.09 0.00 0.00 178.44 178.87 3hm8 h GLY 841 N 0.81 -0.46 0.20 0.00 0.00 -0.12 0.34 103.07 103.84 3hm8 h GLY 841 Ca 0.55 0.17 0.19 0.00 0.00 0.00 0.00 47.33 48.25 3hm8 h GLY 841 CO -0.35 -0.17 0.61 0.00 0.00 0.00 0.00 176.54 176.63 3hm8 h ALA 842 N 0.25 1.86 0.78 3.60 0.00 0.20 0.35 119.26 126.30 3hm8 h ALA 842 Ca -0.04 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 3hm8 h ALA 842 Cb 0.34 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.07 3hm8 h ALA 842 CO 0.07 -0.20 -0.38 0.78 0.00 0.00 0.00 179.25 179.52 3hm8 h GLY 843 N 0.65 -1.10 0.65 0.00 0.00 -0.52 -1.35 103.07 101.40 3hm8 h GLY 843 Ca 0.54 0.41 0.15 0.00 0.00 0.00 0.00 47.33 48.42 3hm8 h GLY 843 CO -0.30 -0.40 0.52 -2.08 0.00 0.00 0.00 176.54 174.28 3hm8 h VAL 844 N -1.14 0.81 -0.28 4.60 2.07 -0.20 0.55 116.25 122.67 3hm8 h VAL 844 Ca -0.11 -0.17 0.03 0.00 0.82 0.00 0.00 66.70 67.28 3hm8 h VAL 844 Cb 0.81 0.28 -0.03 0.00 -1.52 0.00 0.00 31.29 30.82 3hm8 h VAL 844 CO 0.18 0.09 0.08 0.00 0.02 0.00 0.00 177.57 177.94 3hm8 h ALA 845 N 1.63 0.30 -0.83 1.67 0.00 -0.15 -1.40 119.26 120.49 3hm8 h ALA 845 Ca 0.39 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.30 3hm8 h ALA 845 Cb 0.80 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.59 3hm8 h ALA 845 CO -0.14 -0.33 0.38 0.00 0.00 0.00 0.00 179.25 179.16 3hm8 h ALA 846 N 1.19 1.10 0.54 0.00 0.00 0.26 -2.02 119.26 120.33 3hm8 h ALA 846 Ca 0.12 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 3hm8 h ALA 846 Cb 0.11 -0.33 0.01 0.00 0.00 0.00 0.00 17.79 17.58 3hm8 h ALA 846 CO -0.14 0.66 -0.26 0.28 0.00 0.00 0.00 179.25 179.79 3hm8 h VAL 847 N 1.19 0.37 -0.82 0.00 2.07 -1.09 0.13 116.25 118.10 3hm8 h VAL 847 Ca 0.28 -0.33 0.10 0.00 0.82 0.00 0.00 66.70 67.58 3hm8 h VAL 847 Cb 0.15 0.49 -0.06 0.00 -1.52 0.00 0.00 31.29 30.35 3hm8 h VAL 847 CO -0.03 0.04 0.53 -0.37 0.02 0.00 0.00 177.57 177.77 3hm8 h VAL 848 N -0.95 0.93 -0.22 2.57 -1.51 -1.24 0.56 116.25 116.40 3hm8 h VAL 848 Ca -0.07 -0.25 -0.07 0.00 -1.23 0.00 0.00 66.70 65.07 3hm8 h VAL 848 Cb 0.63 0.13 -0.01 0.00 -2.13 0.00 0.00 31.29 29.91 3hm8 h VAL 848 CO 0.12 0.14 -0.13 -0.33 -1.23 0.00 0.00 177.57 176.14 3hm8 h GLU 849 N 0.74 0.47 -0.19 5.19 4.39 -1.31 -1.44 114.58 122.44 3hm8 h GLU 849 Ca 0.38 -0.22 0.05 0.00 0.34 0.00 0.00 59.36 59.91 3hm8 h GLU 849 Cb 0.48 -0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 29.08 3hm8 h GLU 849 CO -0.15 0.76 -0.11 -0.22 -1.16 0.00 0.00 179.01 178.13 3hm8 h LYS 850 N 0.17 -0.10 -0.59 2.33 1.63 0.33 0.31 116.57 120.66 3hm8 h LYS 850 Ca 0.05 0.01 0.03 0.00 -0.85 0.00 0.00 60.65 59.88 3hm8 h LYS 850 Cb 0.64 0.02 -0.04 0.00 -0.60 0.00 0.00 32.23 32.25 3hm8 h LYS 850 CO 0.04 -0.06 0.36 0.82 -3.45 0.00 0.00 179.45 177.16 3hm8 h ILE 851 N -0.10 1.08 0.22 2.00 2.04 -0.91 0.31 117.51 122.15 3hm8 h ILE 851 Ca 0.11 -0.25 -0.01 0.00 1.00 0.00 0.00 64.86 65.71 3hm8 h ILE 851 Cb 0.26 0.29 0.00 0.00 -0.74 0.00 0.00 36.82 36.63 3hm8 h ILE 851 CO -0.25 0.13 -0.11 -0.09 0.00 0.00 0.00 178.15 177.84 3hm8 h ARG 852 N 0.72 -0.29 -0.62 2.37 2.43 -0.68 -2.47 114.38 115.84 3hm8 h ARG 852 Ca 0.24 0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.38 3hm8 h ARG 852 Cb 0.01 0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.60 3hm8 h ARG 852 CO -0.10 -0.10 0.20 1.49 -1.51 0.00 0.00 179.97 179.96 3hm8 h GLU 853 N -0.42 0.94 -0.99 0.20 4.81 -0.21 -2.20 114.58 116.72 3hm8 h GLU 853 Ca -0.03 -0.18 0.11 0.00 -0.13 0.00 0.00 59.36 59.14 3hm8 h GLU 853 Cb 0.32 -0.15 -0.08 0.00 0.63 0.00 0.00 28.75 29.47 3hm8 h GLU 853 CO 0.05 0.80 0.63 -0.91 -0.73 0.00 0.00 179.01 178.85 3hm8 h ASN 854 N 0.91 0.92 -0.54 1.04 2.35 -0.23 -1.89 115.58 118.14 3hm8 h ASN 854 Ca 0.21 0.04 0.00 0.00 -0.55 0.00 0.00 56.30 56.00 3hm8 h ASN 854 Cb 0.25 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.47 3hm8 h ASN 854 CO -0.01 0.51 0.00 0.54 -1.65 0.00 0.00 177.43 176.82 3hm8 n ARG 855 N -4.59 3.22 -2.44 0.81 1.74 -0.95 -4.94 116.66 109.51 3hm8 n ARG 855 Ca 0.18 -2.35 -0.15 0.00 -0.77 0.00 0.00 57.85 54.76 3hm8 n ARG 855 Cb 0.33 -1.77 -0.01 0.00 -1.02 0.00 0.00 32.46 29.99 3hm8 n ARG 855 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hm8 n GLY 856 N 1.03 -0.50 3.89 -0.13 0.00 -0.71 -4.96 105.19 103.80 3hm8 n GLY 856 Ca 0.21 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.94 3hm8 n GLY 856 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hm8 s LEU 857 N -5.74 3.87 0.04 0.99 1.43 -0.86 -5.00 118.68 113.41 3hm8 s LEU 857 Ca 0.01 0.98 0.22 0.00 -1.03 0.00 0.00 54.13 54.31 3hm8 s LEU 857 Cb -0.00 -3.86 -0.21 0.00 0.03 0.00 0.00 46.19 42.15 3hm8 s LEU 857 CO 0.01 -0.37 0.66 -1.84 0.23 0.00 0.00 176.35 175.04 3hm8 n GLU 858 N -1.34 0.64 -3.85 1.70 -0.00 -1.26 -4.69 120.64 111.84 3hm8 n GLU 858 Ca 0.01 -0.06 -0.12 0.00 -0.00 0.00 0.00 57.16 56.99 3hm8 n GLU 858 Cb 0.54 -1.64 -0.11 0.00 -0.00 0.00 0.00 31.44 30.24 3hm8 n GLU 858 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.13 175.30 3hm8 s GLU 859 N -3.39 0.38 -0.05 3.44 4.04 -1.26 -4.87 118.70 117.00 3hm8 s GLU 859 Ca -0.05 -0.18 0.01 0.00 0.04 0.00 0.00 54.97 54.79 3hm8 s GLU 859 Cb 0.12 0.16 0.02 0.00 0.02 0.00 0.00 34.13 34.45 3hm8 s GLU 859 CO 0.86 -0.08 -0.06 -1.17 -1.84 0.00 0.00 175.26 172.97 3hm8 s LEU 860 N -0.86 1.40 -0.31 1.83 2.96 -1.03 -5.01 118.68 117.67 3hm8 s LEU 860 Ca -0.09 -0.15 -0.08 0.00 -0.22 0.00 0.00 54.13 53.58 3hm8 s LEU 860 Cb -0.05 -0.50 0.00 0.00 0.50 0.00 0.00 46.19 46.14 3hm8 s LEU 860 CO 0.01 -0.04 0.11 0.00 -1.32 0.00 0.00 176.35 175.12 3hm8 s ALA 861 N 0.84 3.16 -0.05 5.97 0.00 -1.26 0.12 121.76 130.53 3hm8 s ALA 861 Ca -0.12 -1.44 -0.06 0.00 0.00 0.00 0.00 51.96 50.33 3hm8 s ALA 861 Cb -0.15 -2.26 0.01 0.00 0.00 0.00 0.00 23.12 20.73 3hm8 s ALA 861 CO 0.01 -0.94 0.17 0.54 0.00 0.00 0.00 175.76 175.54 3hm8 s VAL 862 N 1.54 0.02 0.04 0.00 0.11 -0.92 -4.96 120.40 116.23 3hm8 s VAL 862 Ca 0.03 -0.14 0.02 0.00 -2.93 0.00 0.00 61.98 58.96 3hm8 s VAL 862 Cb -0.17 -0.29 -0.04 0.00 -1.53 0.00 0.00 36.38 34.35 3hm8 s VAL 862 CO 0.04 -0.08 0.08 -0.44 -3.33 0.00 0.00 175.10 171.38 3hm8 s SER 863 N -0.20 5.59 -0.23 3.54 0.01 0.16 -1.66 113.70 120.92 3hm8 s SER 863 Ca -0.03 0.06 0.01 0.00 1.31 0.00 0.00 55.95 57.30 3hm8 s SER 863 Cb -0.02 -1.55 0.04 0.00 0.21 0.00 0.00 66.02 64.69 3hm8 s SER 863 CO 0.01 0.22 -0.13 -0.69 0.41 0.00 0.00 173.24 173.05 3hm8 s VAL 864 N -1.30 2.30 -0.31 3.43 1.01 0.96 -2.58 120.40 123.90 3hm8 s VAL 864 Ca 0.27 -1.22 -0.29 0.00 0.00 0.00 0.00 61.98 60.74 3hm8 s VAL 864 Cb -0.12 -2.16 0.01 0.00 0.00 0.00 0.00 36.38 34.11 3hm8 s VAL 864 CO 0.19 0.25 1.21 -0.83 0.00 0.00 0.00 175.10 175.92 3hm8 s GLY 865 N 1.23 1.45 0.03 4.51 0.00 0.44 -0.19 107.32 114.79 3hm8 s GLY 865 Ca -0.01 0.03 0.07 0.00 0.00 0.00 0.00 44.72 44.81 3hm8 s GLY 865 CO -0.08 2.47 -0.20 0.54 0.00 0.00 0.00 173.10 175.83 3hm8 s VAL 866 N 4.10 1.60 0.16 1.40 0.11 0.12 -0.29 120.40 127.60 3hm8 s VAL 866 Ca 0.52 -1.10 -0.09 0.00 -2.93 0.00 0.00 61.98 58.38 3hm8 s VAL 866 Cb -0.15 -1.38 -0.01 0.00 -1.53 0.00 0.00 36.38 33.31 3hm8 s VAL 866 CO 0.21 0.24 0.28 -0.62 -3.33 0.00 0.00 175.10 171.88 3hm8 s ASP 867 N -1.02 0.04 0.00 3.54 -1.08 -0.69 -1.22 116.67 116.25 3hm8 s ASP 867 Ca 0.07 -0.87 0.00 0.00 -0.52 0.00 0.00 52.55 51.23 3hm8 s ASP 867 Cb -0.08 0.43 0.00 0.00 -1.46 0.00 0.00 42.92 41.81 3hm8 s ASP 867 CO 0.01 -0.89 0.00 0.61 0.52 0.00 0.00 175.17 175.42 3hm8 n GLY 868 N -0.21 4.24 0.29 2.66 0.00 -1.26 -1.12 105.19 109.80 3hm8 n GLY 868 Ca -0.08 -0.97 -0.04 0.00 0.00 0.00 0.00 46.02 44.93 3hm8 n GLY 868 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3hm8 h THR 869 N 0.00 1.19 0.27 2.61 1.35 -1.90 0.30 112.91 116.72 3hm8 h THR 869 Ca 0.00 -0.35 0.00 0.00 -0.55 0.00 0.00 66.41 65.51 3hm8 h THR 869 Cb 0.00 0.08 -0.02 0.00 -1.73 0.00 0.00 68.15 66.48 3hm8 h THR 869 CO 0.00 0.19 -0.30 0.25 -0.25 0.00 0.00 175.52 175.41 3hm8 h LEU 870 N 1.02 -0.81 0.03 3.87 5.85 -1.85 0.49 115.31 123.91 3hm8 h LEU 870 Ca 0.28 0.08 0.02 0.00 0.84 0.00 0.00 57.88 59.09 3hm8 h LEU 870 Cb -0.11 0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 3hm8 h LEU 870 CO -0.06 -0.42 -0.12 0.22 -0.34 0.00 0.00 178.44 177.71 3hm8 h TYR 871 N -0.61 -0.32 -0.87 1.25 3.20 -1.11 0.07 116.97 118.58 3hm8 h TYR 871 Ca -0.01 0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.88 3hm8 h TYR 871 Cb 0.57 0.14 -0.04 0.00 1.54 0.00 0.00 36.73 38.93 3hm8 h TYR 871 CO -0.20 -0.19 0.58 -0.22 -1.64 0.00 0.00 178.16 176.49 3hm8 h LYS 872 N -0.23 1.14 0.01 1.82 1.63 -0.16 -3.35 116.57 117.44 3hm8 h LYS 872 Ca 0.04 -0.07 -0.38 0.00 -0.85 0.00 0.00 60.65 59.39 3hm8 h LYS 872 Cb 0.27 -0.26 -0.06 0.00 -0.60 0.00 0.00 32.23 31.58 3hm8 h LYS 872 CO -0.10 0.76 -2.36 1.28 -3.45 0.00 0.00 179.45 175.58 3hm8 n LEU 873 N -4.40 1.89 -4.72 5.20 4.77 0.17 -5.00 117.00 114.90 3hm8 n LEU 873 Ca 0.10 -0.03 -0.42 0.00 -0.03 0.00 0.00 56.01 55.63 3hm8 n LEU 873 Cb 0.03 -0.43 -0.03 0.00 -2.33 0.00 0.00 43.42 40.66 3hm8 n LEU 873 CO 0.36 0.76 1.35 -2.28 -1.33 0.00 0.00 177.39 176.26 3hm8 s HIS 874 N -2.52 2.91 0.26 -1.77 2.46 -0.00 -4.91 115.29 111.72 3hm8 s HIS 874 Ca -0.24 0.40 -0.03 0.00 0.47 0.00 0.00 55.06 55.66 3hm8 s HIS 874 Cb 0.08 -4.12 0.53 0.00 -0.13 0.00 0.00 32.58 28.94 3hm8 s HIS 874 CO 0.70 -4.18 1.70 -1.35 -2.47 0.00 0.00 174.74 169.14 3hm8 h PRO 875 N 6.66 0.35 0.00 2.88 0.11 -1.90 -3.30 132.00 136.80 3hm8 h PRO 875 Ca -0.43 -0.02 -0.15 0.00 0.11 0.00 0.00 66.00 65.51 3hm8 h PRO 875 Cb 1.20 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 32.20 3hm8 h PRO 875 CO 0.94 0.23 -1.65 0.54 -0.21 0.00 0.00 178.00 177.85 3hm8 n ARG 876 N -5.08 2.00 -0.39 1.05 3.00 -1.26 -4.83 116.66 111.16 3hm8 n ARG 876 Ca 0.16 -0.02 -0.11 0.00 -0.01 0.00 0.00 57.85 57.87 3hm8 n ARG 876 Cb 0.49 -1.26 -0.10 0.00 0.00 0.00 0.00 32.46 31.60 3hm8 n ARG 876 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.63 177.98 3hm8 h PHE 877 N 0.00 -1.85 -0.50 -1.55 3.57 -1.91 -0.03 116.94 114.67 3hm8 h PHE 877 Ca -0.22 0.12 0.05 0.00 3.53 0.00 0.00 57.97 61.45 3hm8 h PHE 877 Cb 1.41 0.93 -0.05 0.00 2.79 0.00 0.00 35.95 41.04 3hm8 h PHE 877 CO 0.00 -0.37 0.23 0.66 -2.23 0.00 0.00 178.31 176.59 3hm8 h SER 878 N -0.03 0.30 -0.03 0.41 4.64 -1.78 -0.85 113.55 116.21 3hm8 h SER 878 Ca 0.15 0.04 -0.00 0.00 -0.47 0.00 0.00 61.79 61.51 3hm8 h SER 878 Cb 0.42 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 62.49 3hm8 h SER 878 CO -0.89 0.21 0.02 0.28 -0.87 0.00 0.00 176.83 175.57 3hm8 h SER 879 N 0.45 0.03 0.15 4.97 0.02 -1.55 -2.19 113.55 115.43 3hm8 h SER 879 Ca 0.23 -0.04 -0.02 0.00 -0.84 0.00 0.00 61.79 61.12 3hm8 h SER 879 Cb 0.17 -0.01 -0.00 0.00 0.14 0.00 0.00 62.40 62.70 3hm8 h SER 879 CO -0.18 0.06 -0.10 0.25 -1.14 0.00 0.00 176.83 175.72 3hm8 h LEU 880 N 0.01 0.00 0.48 5.07 6.46 -0.51 -1.03 115.31 125.78 3hm8 h LEU 880 Ca 0.01 0.00 -0.02 0.00 -0.12 0.00 0.00 57.88 57.75 3hm8 h LEU 880 Cb 0.03 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 39.97 3hm8 h LEU 880 CO -0.00 0.10 -0.23 0.58 -0.62 0.00 0.00 178.44 178.27 3hm8 h VAL 881 N 0.00 0.13 -0.90 1.05 2.07 -0.92 -2.68 116.25 115.00 3hm8 h VAL 881 Ca -0.00 -0.55 0.25 0.00 0.82 0.00 0.00 66.70 67.22 3hm8 h VAL 881 Cb 0.20 0.20 -0.15 0.00 -1.52 0.00 0.00 31.29 30.02 3hm8 h VAL 881 CO 0.01 0.03 0.22 0.00 0.02 0.00 0.00 177.57 177.85 3hm8 h ALA 882 N -1.03 1.29 -0.81 1.67 0.00 -1.04 0.28 119.26 119.62 3hm8 h ALA 882 Ca -0.07 0.24 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 3hm8 h ALA 882 Cb 0.54 0.36 -0.04 0.00 0.00 0.00 0.00 17.79 18.65 3hm8 h ALA 882 CO 0.11 -0.50 0.41 0.00 0.00 0.00 0.00 179.25 179.26 3hm8 h ALA 883 N 1.82 1.05 -0.09 0.00 0.00 -1.24 -2.52 119.26 118.28 3hm8 h ALA 883 Ca 0.57 -0.15 -0.13 0.00 0.00 0.00 0.00 54.91 55.20 3hm8 h ALA 883 Cb 1.17 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 3hm8 h ALA 883 CO -0.70 0.59 -0.54 1.15 0.00 0.00 0.00 179.25 179.76 3hm8 h THR 884 N 1.15 1.36 -0.26 0.00 2.02 -0.16 -1.49 112.91 115.52 3hm8 h THR 884 Ca 0.28 -1.83 -0.10 0.00 0.77 0.00 0.00 66.41 65.53 3hm8 h THR 884 Cb 0.09 1.89 -0.01 0.00 -1.74 0.00 0.00 68.15 68.38 3hm8 h THR 884 CO -0.04 0.54 -0.26 0.58 0.37 0.00 0.00 175.52 176.72 3hm8 h VAL 885 N 0.19 1.27 0.16 3.16 2.07 -0.80 -0.45 116.25 121.85 3hm8 h VAL 885 Ca 0.00 -1.29 -0.01 0.00 0.82 0.00 0.00 66.70 66.22 3hm8 h VAL 885 Cb 1.02 1.35 0.00 0.00 -1.52 0.00 0.00 31.29 32.14 3hm8 h VAL 885 CO 0.08 0.41 -0.08 0.03 0.02 0.00 0.00 177.57 178.04 3hm8 h ARG 886 N 0.45 -0.21 -0.84 1.57 3.08 -1.20 0.35 114.38 117.58 3hm8 h ARG 886 Ca 0.06 0.01 0.16 0.00 0.07 0.00 0.00 59.98 60.29 3hm8 h ARG 886 Cb 0.69 0.05 -0.10 0.00 0.08 0.00 0.00 29.97 30.68 3hm8 h ARG 886 CO 0.05 0.17 0.40 1.49 -1.07 0.00 0.00 179.97 181.01 3hm8 h GLU 887 N -0.63 0.52 0.00 0.04 4.81 -1.12 -2.91 114.58 115.30 3hm8 h GLU 887 Ca -0.02 -0.03 -0.20 0.00 -0.13 0.00 0.00 59.36 58.98 3hm8 h GLU 887 Cb 0.47 -0.12 -0.04 0.00 0.63 0.00 0.00 28.75 29.69 3hm8 h GLU 887 CO 0.04 0.34 -2.16 1.28 -0.73 0.00 0.00 179.01 177.78 3hm8 n LEU 888 N -4.94 0.00 -3.32 1.64 4.77 -0.19 -4.64 117.00 110.32 3hm8 n LEU 888 Ca 0.18 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 55.90 3hm8 n LEU 888 Cb 0.48 0.27 -0.08 0.00 -2.33 0.00 0.00 43.42 41.76 3hm8 n LEU 888 CO 0.19 0.27 -0.11 0.00 -1.33 0.00 0.00 177.39 176.40 3hm8 n ALA 889 N -2.50 3.24 -0.03 -1.18 0.00 0.12 -4.94 120.51 115.22 3hm8 n ALA 889 Ca -0.19 -4.07 -0.13 0.00 0.00 0.00 0.00 53.44 49.05 3hm8 n ALA 889 Cb 0.87 -0.86 -0.01 0.00 0.00 0.00 0.00 19.45 19.45 3hm8 n ALA 889 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3hm8 h PRO 890 N 4.17 0.73 0.00 0.00 0.11 -1.65 -2.91 132.00 132.44 3hm8 h PRO 890 Ca 0.14 -0.49 0.00 0.00 0.11 0.00 0.00 66.00 65.76 3hm8 h PRO 890 Cb 0.77 0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.95 3hm8 h PRO 890 CO 0.64 1.12 0.00 0.54 -0.21 0.00 0.00 178.00 180.09 3hm8 n ARG 891 N -3.97 0.03 -4.15 1.05 3.00 -1.26 -4.58 116.66 106.78 3hm8 n ARG 891 Ca -0.04 0.43 -0.36 0.00 -0.01 0.00 0.00 57.85 57.87 3hm8 n ARG 891 Cb 0.65 -1.59 -0.08 0.00 0.00 0.00 0.00 32.46 31.44 3hm8 n ARG 891 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3hm8 s VAL 893 N -0.74 4.89 -0.29 0.00 1.01 0.32 -4.92 120.40 120.66 3hm8 s VAL 893 Ca 0.12 -2.03 -0.13 0.00 0.00 0.00 0.00 61.98 59.94 3hm8 s VAL 893 Cb -0.12 -4.12 -0.04 0.00 0.00 0.00 0.00 36.38 32.10 3hm8 s VAL 893 CO 0.03 -0.89 0.28 -0.69 0.00 0.00 0.00 175.10 173.82 3hm8 s VAL 894 N 0.92 5.25 -0.15 2.92 1.01 -1.26 -2.17 120.40 126.92 3hm8 s VAL 894 Ca 0.10 0.23 -0.07 0.00 0.00 0.00 0.00 61.98 62.24 3hm8 s VAL 894 Cb -0.22 -3.64 -0.04 0.00 0.00 0.00 0.00 36.38 32.48 3hm8 s VAL 894 CO -0.02 0.14 0.09 -0.89 0.00 0.00 0.00 175.10 174.42 3hm8 s THR 895 N 1.89 5.06 -0.21 3.92 2.01 -0.66 -5.01 115.64 122.64 3hm8 s THR 895 Ca 0.10 0.05 -0.08 0.00 0.31 0.00 0.00 61.69 62.07 3hm8 s THR 895 Cb -0.16 -3.24 -0.04 0.00 0.01 0.00 0.00 72.50 69.07 3hm8 s THR 895 CO 0.11 0.53 0.08 -0.36 -0.69 0.00 0.00 174.62 174.29 3hm8 s PHE 896 N -0.30 3.22 -0.21 4.92 0.08 -1.26 -0.03 117.98 124.40 3hm8 s PHE 896 Ca 0.10 0.00 -0.05 0.00 0.12 0.00 0.00 56.93 57.09 3hm8 s PHE 896 Cb -0.12 -2.15 -0.02 0.00 -0.57 0.00 0.00 43.02 40.16 3hm8 s PHE 896 CO 0.01 0.03 0.01 -0.51 -0.10 0.00 0.00 175.22 174.66 3hm8 s LEU 897 N 0.76 3.24 -0.18 -0.37 1.43 0.73 -4.91 118.68 119.39 3hm8 s LEU 897 Ca 0.04 -0.22 -0.21 0.00 -1.03 0.00 0.00 54.13 52.71 3hm8 s LEU 897 Cb -0.13 -1.83 -0.03 0.00 0.03 0.00 0.00 46.19 44.23 3hm8 s LEU 897 CO 0.02 0.04 0.61 -1.58 0.23 0.00 0.00 176.35 175.67 3hm8 s GLN 898 N 1.15 4.24 -0.18 1.70 0.74 -1.26 0.11 119.66 126.16 3hm8 s GLN 898 Ca 0.03 0.61 -0.29 0.00 0.05 0.00 0.00 55.36 55.76 3hm8 s GLN 898 Cb -0.14 -3.55 -0.03 0.00 1.10 0.00 0.00 33.01 30.38 3hm8 s GLN 898 CO 0.01 -0.17 1.61 0.45 -0.55 0.00 0.00 175.29 176.64 3hm8 s SER 899 N 1.11 6.47 0.35 6.67 0.15 -0.36 -4.88 113.70 123.21 3hm8 s SER 899 Ca 0.29 1.77 0.20 0.00 0.70 0.00 0.00 55.95 58.92 3hm8 s SER 899 Cb -0.16 -2.53 0.20 0.00 -1.71 0.00 0.00 66.02 61.82 3hm8 s SER 899 CO 0.11 -1.16 1.46 1.05 1.20 0.00 0.00 173.24 175.91 3hm8 h GLU 900 N 10.34 0.00 -0.03 5.44 9.09 -1.94 -3.38 114.58 134.11 3hm8 h GLU 900 Ca -0.35 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.06 3hm8 h GLU 900 Cb 1.16 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.26 3hm8 h GLU 900 CO 0.99 0.15 0.00 -0.25 0.05 0.00 0.00 179.01 179.95 3hm8 n ASP 901 N -3.08 1.78 -0.51 3.06 8.00 -1.26 -5.13 116.55 119.42 3hm8 n ASP 901 Ca 0.02 -1.70 0.06 0.00 0.71 0.00 0.00 54.79 53.89 3hm8 n ASP 901 Cb 0.60 -0.02 -0.02 0.00 -0.02 0.00 0.00 41.12 41.67 3hm8 n ASP 901 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3hm8 n GLY 902 N -0.24 -2.09 0.23 0.44 0.00 -1.26 -4.39 105.19 97.87 3hm8 n GLY 902 Ca 0.01 -1.39 0.11 0.00 0.00 0.00 0.00 46.02 44.75 3hm8 n GLY 902 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3hm8 h SER 903 N -0.44 0.00 -0.99 1.61 0.02 -1.89 -3.26 113.55 108.61 3hm8 h SER 903 Ca 0.01 0.00 0.17 0.00 -0.84 0.00 0.00 61.79 61.13 3hm8 h SER 903 Cb 0.43 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 62.88 3hm8 h SER 903 CO 0.00 0.18 0.62 1.23 -1.14 0.00 0.00 176.83 177.71 3hm8 h GLY 904 N 2.40 1.61 0.95 -3.77 0.00 -1.88 0.19 103.07 102.57 3hm8 h GLY 904 Ca -0.00 -0.36 -0.00 0.00 0.00 0.00 0.00 47.33 46.97 3hm8 h GLY 904 CO 0.02 0.03 0.08 1.70 0.00 0.00 0.00 176.54 178.37 3hm8 h LYS 905 N 0.80 0.18 -0.35 4.80 3.64 -1.76 -1.51 116.57 122.38 3hm8 h LYS 905 Ca 0.53 -0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 59.80 3hm8 h LYS 905 Cb 0.78 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.56 3hm8 h LYS 905 CO -0.31 0.18 -0.16 0.78 -2.27 0.00 0.00 179.45 177.67 3hm8 h GLY 906 N 0.14 0.79 0.24 5.01 0.00 -1.41 -2.83 103.07 105.00 3hm8 h GLY 906 Ca 0.05 -0.71 0.09 0.00 0.00 0.00 0.00 47.33 46.76 3hm8 h GLY 906 CO -0.01 0.64 0.02 0.00 0.00 0.00 0.00 176.54 177.19 3hm8 h ALA 907 N 0.79 0.47 -0.73 3.60 0.00 -0.59 -1.03 119.26 121.77 3hm8 h ALA 907 Ca 0.08 0.13 0.06 0.00 0.00 0.00 0.00 54.91 55.18 3hm8 h ALA 907 Cb 0.70 0.22 -0.06 0.00 0.00 0.00 0.00 17.79 18.66 3hm8 h ALA 907 CO 0.05 -0.37 0.42 0.00 0.00 0.00 0.00 179.25 179.35 3hm8 h ALA 908 N 1.42 0.99 -0.64 0.00 0.00 -1.19 0.21 119.26 120.04 3hm8 h ALA 908 Ca 0.24 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.12 3hm8 h ALA 908 Cb 0.35 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 3hm8 h ALA 908 CO -0.38 0.12 0.21 -0.07 0.00 0.00 0.00 179.25 179.13 3hm8 h LEU 909 N 0.78 0.89 -0.13 0.00 3.38 -1.08 -1.28 115.31 117.85 3hm8 h LEU 909 Ca 0.32 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 58.12 3hm8 h LEU 909 Cb 0.18 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 3hm8 h LEU 909 CO -0.18 0.83 -0.04 0.58 0.09 0.00 0.00 178.44 179.71 3hm8 h VAL 910 N 0.93 1.30 -0.91 1.22 2.07 -0.46 -2.95 116.25 117.45 3hm8 h VAL 910 Ca 0.21 -1.03 0.14 0.00 0.82 0.00 0.00 66.70 66.84 3hm8 h VAL 910 Cb 0.25 1.70 -0.07 0.00 -1.52 0.00 0.00 31.29 31.64 3hm8 h VAL 910 CO -0.01 0.30 0.59 0.74 0.02 0.00 0.00 177.57 179.20 3hm8 h THR 911 N -0.05 0.85 -0.84 2.57 2.02 -0.75 -0.22 112.91 116.48 3hm8 h THR 911 Ca 0.03 -0.26 0.15 0.00 0.77 0.00 0.00 66.41 67.10 3hm8 h THR 911 Cb 0.48 0.03 -0.09 0.00 -1.74 0.00 0.00 68.15 66.83 3hm8 h THR 911 CO 0.02 0.14 0.43 0.00 0.37 0.00 0.00 175.52 176.47 3hm8 h ALA 912 N 1.59 1.27 -0.31 6.16 0.00 -1.06 0.93 119.26 127.84 3hm8 h ALA 912 Ca 0.46 0.09 -0.11 0.00 0.00 0.00 0.00 54.91 55.35 3hm8 h ALA 912 Cb 0.66 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 3hm8 h ALA 912 CO -0.22 -0.10 -0.24 0.28 0.00 0.00 0.00 179.25 178.97 3hm8 h VAL 913 N 0.61 1.30 -0.56 0.00 2.07 -1.06 -2.41 116.25 116.20 3hm8 h VAL 913 Ca 0.46 -1.39 0.06 0.00 0.82 0.00 0.00 66.70 66.65 3hm8 h VAL 913 Cb 0.66 1.52 -0.03 0.00 -1.52 0.00 0.00 31.29 31.92 3hm8 h VAL 913 CO -0.37 0.45 0.37 0.00 0.02 0.00 0.00 177.57 178.04 3hm8 h ALA 914 N 0.73 1.87 -0.09 1.67 0.00 -0.26 0.66 119.26 123.84 3hm8 h ALA 914 Ca 0.06 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 3hm8 h ALA 914 Cb 0.80 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.46 3hm8 h ALA 914 CO 0.06 0.04 -0.20 0.00 0.00 0.00 0.00 179.25 179.15 3hm8 h ARG 916 N -0.16 0.83 0.00 0.00 -0.00 -0.83 -1.43 114.38 112.79 3hm8 h ARG 916 Ca 0.00 -0.05 -0.01 0.00 -0.00 0.00 0.00 59.98 59.92 3hm8 h ARG 916 Cb 0.80 -0.19 -0.00 0.00 -0.00 0.00 0.00 29.97 30.58 3hm8 h ARG 916 CO 0.04 0.55 -0.05 -0.07 -0.00 0.00 0.00 179.97 180.44 3hm8 h LEU 917 N 0.86 0.00 0.18 0.08 4.07 0.34 -2.83 115.31 118.02 3hm8 h LEU 917 Ca 0.33 0.00 -0.34 0.00 0.08 0.00 0.00 57.88 57.95 3hm8 h LEU 917 Cb 0.14 0.00 0.01 0.00 1.08 0.00 0.00 40.66 41.89 3hm8 h LEU 917 CO -0.16 0.05 -1.66 0.00 -1.08 0.00 0.00 178.44 175.59 3hm8 h ALA 918 N 1.95 0.13 0.00 1.53 0.00 -0.89 -3.50 119.26 118.47 3hm8 h ALA 918 Ca -0.00 -1.10 0.00 0.00 0.00 0.00 0.00 54.91 53.81 3hm8 h ALA 918 Cb 0.13 0.43 0.00 0.00 0.00 0.00 0.00 17.79 18.36 3hm8 h ALA 918 CO 0.01 0.95 0.00 0.00 0.00 0.00 0.00 179.25 180.21