#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2r17 h ALA 485 N 0.00 0.14 -0.41 3.13 0.00 -2.01 -2.21 119.26 117.90 2r17 h ALA 485 Ca 0.00 0.07 0.09 0.00 0.00 0.00 0.00 54.91 55.06 2r17 h ALA 485 Cb 0.00 0.13 -0.09 0.00 0.00 0.00 0.00 17.79 17.83 2r17 h ALA 485 CO 0.00 -0.46 -0.20 0.22 0.00 0.00 0.00 179.25 178.81 2r17 h ASP 486 N 0.02 -0.67 -0.41 0.00 1.82 -2.04 -0.46 116.42 114.67 2r17 h ASP 486 Ca 0.09 0.16 0.06 0.00 -0.39 0.00 0.00 57.03 56.95 2r17 h ASP 486 Cb 0.13 0.37 -0.05 0.00 0.68 0.00 0.00 39.33 40.46 2r17 h ASP 486 CO -0.18 -0.23 0.12 -0.08 -1.61 0.00 0.00 179.24 177.25 2r17 h GLU 487 N -0.12 0.25 -0.15 0.28 4.57 -1.95 -2.29 114.58 115.18 2r17 h GLU 487 Ca 0.20 -0.02 0.04 0.00 -1.18 0.00 0.00 59.36 58.40 2r17 h GLU 487 Cb 0.43 -0.06 -0.07 0.00 -0.16 0.00 0.00 28.75 28.89 2r17 h GLU 487 CO -0.49 0.17 -0.50 0.37 -1.18 0.00 0.00 179.01 177.38 2r17 h GLN 488 N 0.26 -0.52 0.00 1.92 4.15 -0.48 -0.79 115.11 119.65 2r17 h GLN 488 Ca 0.20 0.04 -0.03 0.00 0.77 0.00 0.00 58.65 59.62 2r17 h GLN 488 Cb 0.21 0.12 -0.00 0.00 0.21 0.00 0.00 27.48 28.02 2r17 h GLN 488 CO -0.23 -0.35 -0.14 0.66 -1.93 0.00 0.00 178.83 176.84 2r17 h SER 489 N -0.54 0.00 -0.93 -0.69 4.64 -1.31 -2.26 113.55 112.46 2r17 h SER 489 Ca 0.05 0.00 0.13 0.00 -0.47 0.00 0.00 61.79 61.51 2r17 h SER 489 Cb 0.66 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.68 2r17 h SER 489 CO -0.44 0.14 0.59 0.25 -0.87 0.00 0.00 176.83 176.51 2r17 h LEU 490 N 0.00 0.75 -0.49 5.97 5.85 -0.55 0.58 115.31 127.42 2r17 h LEU 490 Ca -0.00 0.04 -0.17 0.00 0.84 0.00 0.00 57.88 58.59 2r17 h LEU 490 Cb 0.27 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 2r17 h LEU 490 CO 0.02 0.38 -0.70 0.58 -0.34 0.00 0.00 178.44 178.38 2r17 h VAL 491 N 0.80 1.41 -0.02 1.05 2.07 -1.22 0.01 116.25 120.34 2r17 h VAL 491 Ca 0.46 -2.17 0.00 0.00 0.82 0.00 0.00 66.70 65.82 2r17 h VAL 491 Cb 0.64 2.13 -0.00 0.00 -1.52 0.00 0.00 31.29 32.54 2r17 h VAL 491 CO -0.23 0.64 0.01 1.23 0.02 0.00 0.00 177.57 179.25 2r17 h GLY 492 N 1.50 0.03 0.38 2.17 0.00 -0.05 -1.76 103.07 105.33 2r17 h GLY 492 Ca -0.02 -0.01 -0.02 0.00 0.00 0.00 0.00 47.33 47.28 2r17 h GLY 492 CO 0.11 0.01 -0.18 3.21 0.00 0.00 0.00 176.54 179.69 2r17 h ARG 493 N 0.02 -0.49 -0.84 4.80 2.47 0.08 -3.23 114.38 117.19 2r17 h ARG 493 Ca 0.01 0.03 0.14 0.00 -1.26 0.00 0.00 59.98 58.90 2r17 h ARG 493 Cb 0.01 0.11 -0.14 0.00 -1.65 0.00 0.00 29.97 28.30 2r17 h ARG 493 CO -0.00 -0.32 -0.29 0.34 0.56 0.00 0.00 179.97 180.26 2r17 n PHE 494 N -3.37 0.12 0.08 3.04 7.35 -0.03 0.10 117.46 124.76 2r17 n PHE 494 Ca -0.06 1.03 0.18 0.00 -0.76 0.00 0.00 57.45 57.84 2r17 n PHE 494 Cb 0.20 -0.87 0.72 0.00 0.35 0.00 0.00 39.48 39.88 2r17 n PHE 494 CO 0.00 0.00 0.00 0.82 -0.76 0.00 0.00 176.76 176.82 2r17 h ILE 495 N 0.00 0.66 0.08 -2.13 2.04 -1.36 -1.87 117.51 114.93 2r17 h ILE 495 Ca 0.33 0.00 -0.11 0.00 1.00 0.00 0.00 64.86 66.08 2r17 h ILE 495 Cb 0.54 0.77 0.01 0.00 -0.74 0.00 0.00 36.82 37.40 2r17 h ILE 495 CO -0.84 0.00 -0.47 -0.74 0.00 0.00 0.00 178.15 176.10 2r17 h HIS 496 N 0.00 0.32 -0.08 1.37 2.76 0.64 -3.39 115.15 116.78 2r17 h HIS 496 Ca 0.19 -0.23 0.00 0.00 -2.20 0.00 0.00 60.37 58.13 2r17 h HIS 496 Cb 0.81 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 29.76 2r17 h HIS 496 CO 0.00 1.18 0.00 1.47 -1.30 0.00 0.00 177.93 179.28 2r17 n LEU 497 N -4.33 2.27 -3.19 0.26 -0.00 -0.99 -4.31 117.00 106.71 2r17 n LEU 497 Ca -0.12 -0.81 -0.24 0.00 -0.00 0.00 0.00 56.01 54.84 2r17 n LEU 497 Cb 0.68 -0.04 -0.06 0.00 -0.00 0.00 0.00 43.42 44.00 2r17 n LEU 497 CO 0.43 0.40 -0.10 -0.11 -0.00 0.00 0.00 177.39 178.01 2r17 n LEU 498 N 0.76 2.05 -4.01 1.47 0.00 -0.73 -5.07 117.00 111.48 2r17 n LEU 498 Ca 0.17 -5.15 -0.15 0.00 0.00 0.00 0.00 56.01 50.88 2r17 n LEU 498 Cb 0.47 0.11 -0.13 0.00 0.00 0.00 0.00 43.42 43.87 2r17 n LEU 498 CO 0.15 2.18 -0.40 0.00 0.00 0.00 0.00 177.39 179.32 2r17 s ARG 499 N -2.27 0.48 0.15 1.96 1.70 -1.26 -4.83 118.95 114.88 2r17 s ARG 499 Ca 0.40 -0.45 0.05 0.00 -0.47 0.00 0.00 55.73 55.27 2r17 s ARG 499 Cb 0.23 -0.38 -0.04 0.00 -0.57 0.00 0.00 34.95 34.20 2r17 s ARG 499 CO -0.08 0.09 0.09 0.45 -1.08 0.00 0.00 175.30 174.76 2r17 s SER 500 N -0.77 5.33 0.00 -2.89 0.15 -1.26 -5.00 113.70 109.26 2r17 s SER 500 Ca -0.03 -0.17 0.27 0.00 0.70 0.00 0.00 55.95 56.72 2r17 s SER 500 Cb -0.06 -1.34 0.82 0.00 -1.71 0.00 0.00 66.02 63.73 2r17 s SER 500 CO 0.00 0.10 1.62 -0.62 1.20 0.00 0.00 173.24 175.53 2r17 n GLU 501 N -0.11 0.36 -2.97 5.44 1.02 -1.26 -4.59 120.64 118.53 2r17 n GLU 501 Ca -0.09 -0.18 -0.42 0.00 -0.02 0.00 0.00 57.16 56.46 2r17 n GLU 501 Cb 0.54 -1.50 -0.05 0.00 -0.02 0.00 0.00 31.44 30.41 2r17 n GLU 501 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2r17 s ASP 502 N -2.76 6.64 0.22 1.62 -1.08 -1.26 -4.97 116.67 115.08 2r17 s ASP 502 Ca 0.19 0.64 -0.15 0.00 -0.52 0.00 0.00 52.55 52.71 2r17 s ASP 502 Cb 0.19 -2.40 0.25 0.00 -1.46 0.00 0.00 42.92 39.50 2r17 s ASP 502 CO 0.58 -0.59 1.60 -0.65 0.52 0.00 0.00 175.17 176.63 2r17 h PRO 503 N 8.11 -0.05 -0.38 4.34 0.11 -1.95 0.25 132.00 142.43 2r17 h PRO 503 Ca -0.25 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.80 2r17 h PRO 503 Cb 1.10 0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 2r17 h PRO 503 CO 0.87 -0.03 -0.05 -0.44 -0.21 0.00 0.00 178.00 178.13 2r17 h ASP 504 N -0.05 0.60 -0.25 -2.05 3.32 -1.97 -0.85 116.42 115.17 2r17 h ASP 504 Ca 0.32 -0.14 -0.17 0.00 0.02 0.00 0.00 57.03 57.06 2r17 h ASP 504 Cb 0.55 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.93 2r17 h ASP 504 CO -0.75 0.71 -0.48 -0.61 -1.72 0.00 0.00 179.24 176.38 2r17 h GLN 505 N 0.58 0.83 -0.10 3.56 5.75 -1.50 -2.85 115.11 121.39 2r17 h GLN 505 Ca 0.11 -0.49 -0.04 0.00 -0.15 0.00 0.00 58.65 58.08 2r17 h GLN 505 Cb 0.45 0.04 -0.01 0.00 1.07 0.00 0.00 27.48 29.03 2r17 h GLN 505 CO 0.02 1.12 -0.14 0.37 -2.65 0.00 0.00 178.83 177.56 2r17 h GLN 506 N 0.65 0.15 -0.57 1.69 5.75 -0.14 -2.57 115.11 120.06 2r17 h GLN 506 Ca 0.03 -0.03 -0.10 0.00 -0.15 0.00 0.00 58.65 58.40 2r17 h GLN 506 Cb 1.07 -0.02 -0.02 0.00 1.07 0.00 0.00 27.48 29.58 2r17 h GLN 506 CO 0.11 0.30 -0.05 -0.92 -2.65 0.00 0.00 178.83 175.61 2r17 h TYR 507 N 0.14 1.14 -0.04 3.99 3.20 -0.94 -2.55 116.97 121.93 2r17 h TYR 507 Ca 0.03 -0.21 -0.09 0.00 3.14 0.00 0.00 58.73 61.59 2r17 h TYR 507 Cb 0.34 -0.29 -0.01 0.00 1.54 0.00 0.00 36.73 38.30 2r17 h TYR 507 CO 0.00 1.03 -0.42 -0.07 -1.64 0.00 0.00 178.16 177.06 2r17 h LEU 508 N 0.94 0.08 0.26 2.82 -0.00 -1.34 -1.93 115.31 116.13 2r17 h LEU 508 Ca 0.16 -0.03 -0.01 0.00 -0.00 0.00 0.00 57.88 57.99 2r17 h LEU 508 Cb 0.61 -0.02 0.00 0.00 -0.00 0.00 0.00 40.66 41.25 2r17 h LEU 508 CO 0.04 0.49 -0.12 0.40 -0.00 0.00 0.00 178.44 179.25 2r17 h ILE 509 N 0.06 0.79 -0.98 1.22 2.04 -1.29 -1.99 117.51 117.36 2r17 h ILE 509 Ca 0.00 -0.51 0.07 0.00 1.00 0.00 0.00 64.86 65.42 2r17 h ILE 509 Cb 0.77 1.07 -0.07 0.00 -0.74 0.00 0.00 36.82 37.86 2r17 h ILE 509 CO 0.06 0.11 0.63 -0.07 0.00 0.00 0.00 178.15 178.88 2r17 h LEU 510 N -0.62 1.00 -0.11 1.44 3.38 -1.37 0.41 115.31 119.44 2r17 h LEU 510 Ca -0.04 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 2r17 h LEU 510 Cb 0.44 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 2r17 h LEU 510 CO 0.06 0.63 0.01 -1.13 0.09 0.00 0.00 178.44 178.10 2r17 h ASN 511 N 1.13 0.18 -0.49 -0.43 -1.24 -1.28 0.19 115.58 113.63 2r17 h ASN 511 Ca 0.43 -0.28 -0.12 0.00 0.71 0.00 0.00 56.30 57.04 2r17 h ASN 511 Cb 0.20 -0.05 -0.01 0.00 0.73 0.00 0.00 38.32 39.19 2r17 h ASN 511 CO -0.17 0.41 -0.16 0.71 -1.29 0.00 0.00 177.43 176.93 2r17 h THR 512 N -0.06 1.27 -0.90 -3.57 1.35 -1.00 -2.73 112.91 107.26 2r17 h THR 512 Ca 0.03 -1.31 0.05 0.00 -0.55 0.00 0.00 66.41 64.63 2r17 h THR 512 Cb 0.31 1.08 -0.06 0.00 -1.73 0.00 0.00 68.15 67.76 2r17 h THR 512 CO 0.00 0.46 0.58 0.00 -0.25 0.00 0.00 175.52 176.31 2r17 h ALA 513 N 0.88 1.21 -0.67 6.62 0.00 -0.06 -0.73 119.26 126.52 2r17 h ALA 513 Ca 0.12 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.01 2r17 h ALA 513 Cb 0.73 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 2r17 h ALA 513 CO 0.06 0.39 0.44 -0.09 0.00 0.00 0.00 179.25 180.05 2r17 h ARG 514 N 1.09 0.86 0.45 0.00 2.43 -0.33 0.85 114.38 119.73 2r17 h ARG 514 Ca 0.37 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.47 2r17 h ARG 514 Cb 0.07 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.43 2r17 h ARG 514 CO -0.14 0.57 -0.22 0.87 -1.51 0.00 0.00 179.97 179.54 2r17 h LYS 515 N 0.89 -0.59 -0.08 0.20 1.57 -0.92 0.38 116.57 118.03 2r17 h LYS 515 Ca 0.25 0.04 0.04 0.00 -1.87 0.00 0.00 60.65 59.10 2r17 h LYS 515 Cb -0.08 0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.32 2r17 h LYS 515 CO -0.06 -0.39 -0.18 1.25 -0.57 0.00 0.00 179.45 179.51 2r17 h HIS 516 N -0.61 -0.46 0.00 -1.35 2.76 -1.33 -2.48 115.15 111.68 2r17 h HIS 516 Ca -0.06 0.02 -0.05 0.00 -2.20 0.00 0.00 60.37 58.08 2r17 h HIS 516 Cb 0.47 0.22 -0.01 0.00 1.55 0.00 0.00 27.41 29.64 2r17 h HIS 516 CO 0.11 -0.25 -0.22 0.74 -1.30 0.00 0.00 177.93 177.00 2r17 h PHE 517 N -0.25 0.00 -0.07 5.26 0.04 -0.88 -2.66 116.94 118.38 2r17 h PHE 517 Ca 0.08 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.85 2r17 h PHE 517 Cb 0.36 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.51 2r17 h PHE 517 CO -0.26 0.22 0.00 0.41 -0.60 0.00 0.00 178.31 178.08 2r17 n GLY 518 N -0.34 -0.32 0.13 -1.45 0.00 0.13 -4.06 105.19 99.29 2r17 n GLY 518 Ca -0.01 -0.30 -0.22 0.00 0.00 0.00 0.00 46.02 45.48 2r17 n GLY 518 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2r17 h ALA 519 N 3.95 0.09 -1.57 4.61 0.00 -1.26 -3.41 119.26 121.68 2r17 h ALA 519 Ca 0.00 -1.03 0.46 0.00 0.00 0.00 0.00 54.91 54.34 2r17 h ALA 519 Cb 0.28 0.39 -0.06 0.00 0.00 0.00 0.00 17.79 18.39 2r17 h ALA 519 CO 0.00 0.82 1.19 0.41 0.00 0.00 0.00 179.25 181.67 2r17 n GLY 520 N 1.77 -0.81 0.00 0.00 0.00 -1.26 -4.91 105.19 99.99 2r17 n GLY 520 Ca -0.23 0.55 0.00 0.00 0.00 0.00 0.00 46.02 46.34 2r17 n GLY 520 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2r17 n GLY 521 N -1.75 -0.08 0.00 -0.02 0.00 -1.26 -4.58 105.19 97.49 2r17 n GLY 521 Ca 0.35 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.59 2r17 n GLY 521 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2r17 n ASN 522 N 0.00 3.54 0.09 1.61 4.13 -1.26 -4.47 115.26 118.89 2r17 n ASN 522 Ca 0.00 0.00 -0.22 0.00 1.68 0.00 0.00 54.58 56.04 2r17 n ASN 522 Cb 0.00 0.52 -0.15 0.00 -1.54 0.00 0.00 39.78 38.61 2r17 n ASN 522 CO 0.00 0.00 0.00 1.56 0.28 0.00 0.00 177.26 179.10 2r17 h GLN 523 N 0.00 0.40 0.09 3.52 4.20 -1.93 -3.35 115.11 118.04 2r17 h GLN 523 Ca 0.00 -0.68 -0.31 0.00 0.06 0.00 0.00 58.65 57.72 2r17 h GLN 523 Cb 0.37 0.25 -0.02 0.00 0.30 0.00 0.00 27.48 28.38 2r17 h GLN 523 CO 0.00 1.33 -1.60 0.07 -0.67 0.00 0.00 178.83 177.96 2r17 h ARG 524 N -0.12 0.20 -0.16 1.46 0.11 -1.84 -3.34 114.38 110.69 2r17 h ARG 524 Ca -0.23 -0.34 0.05 0.00 0.10 0.00 0.00 59.98 59.56 2r17 h ARG 524 Cb 1.91 0.13 -0.01 0.00 1.11 0.00 0.00 29.97 33.11 2r17 h ARG 524 CO 0.19 1.02 0.19 -0.84 0.10 0.00 0.00 179.97 180.63 2r17 h ILE 525 N 0.05 0.42 -0.57 0.08 3.07 -1.78 0.19 117.51 118.97 2r17 h ILE 525 Ca -0.26 0.00 0.07 0.00 1.55 0.00 0.00 64.86 66.21 2r17 h ILE 525 Cb 2.01 0.84 -0.03 0.00 -0.27 0.00 0.00 36.82 39.36 2r17 h ILE 525 CO 0.14 0.00 0.38 -0.09 -1.05 0.00 0.00 178.15 177.53 2r17 h ARG 526 N 0.00 0.49 0.00 0.16 2.43 -1.70 -1.45 114.38 114.32 2r17 h ARG 526 Ca 0.08 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 2r17 h ARG 526 Cb 0.46 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.90 2r17 h ARG 526 CO -0.00 0.33 -1.70 1.19 -1.51 0.00 0.00 179.97 178.28 2r17 n PHE 527 N -4.47 0.00 0.13 2.20 3.01 0.49 -4.49 117.46 114.33 2r17 n PHE 527 Ca 0.08 0.00 0.11 0.00 1.01 0.00 0.00 57.45 58.65 2r17 n PHE 527 Cb 0.27 -0.36 -0.08 0.00 -0.01 0.00 0.00 39.48 39.30 2r17 n PHE 527 CO 0.00 0.00 0.00 -2.37 1.01 0.00 0.00 176.76 175.40 2r17 n THR 528 N -2.03 0.26 -0.07 4.37 5.66 -0.17 -4.59 114.28 117.70 2r17 n THR 528 Ca -0.02 -0.47 -0.20 0.00 -3.05 0.00 0.00 64.05 60.30 2r17 n THR 528 Cb 0.45 -0.08 -0.13 0.00 -1.55 0.00 0.00 70.33 69.03 2r17 n THR 528 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 2r17 n LEU 529 N -2.36 2.73 -0.32 1.09 4.77 -0.57 -4.52 117.00 117.81 2r17 n LEU 529 Ca -0.02 0.06 -0.01 0.00 -0.03 0.00 0.00 56.01 56.02 2r17 n LEU 529 Cb 0.54 -1.00 0.05 0.00 -2.33 0.00 0.00 43.42 40.68 2r17 n LEU 529 CO 0.43 0.86 0.62 -0.65 -1.33 0.00 0.00 177.39 177.32 2r17 h PRO 530 N -0.07 -0.04 -0.71 3.23 0.11 -1.79 0.61 132.00 133.35 2r17 h PRO 530 Ca -0.51 0.00 0.20 0.00 0.11 0.00 0.00 66.00 65.80 2r17 h PRO 530 Cb 1.92 0.01 -0.03 0.00 0.11 0.00 0.00 31.00 33.01 2r17 h PRO 530 CO -0.04 -0.03 0.51 -1.35 -0.21 0.00 0.00 178.00 176.88 2r17 h PRO 531 N -0.04 0.02 -0.22 1.05 0.11 -1.84 0.12 132.00 131.20 2r17 h PRO 531 Ca 0.34 -0.00 -0.15 0.00 0.11 0.00 0.00 66.00 66.30 2r17 h PRO 531 Cb 0.60 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.70 2r17 h PRO 531 CO -0.90 0.01 -0.48 -0.07 -0.21 0.00 0.00 178.00 176.35 2r17 h LEU 532 N 0.02 0.62 -0.48 2.35 3.38 -0.00 0.13 115.31 121.33 2r17 h LEU 532 Ca 0.34 -0.31 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 2r17 h LEU 532 Cb 1.33 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.88 2r17 h LEU 532 CO -0.01 1.01 0.17 0.58 0.09 0.00 0.00 178.44 180.27 2r17 h VAL 533 N 0.46 1.22 -0.40 1.22 2.07 -0.44 0.12 116.25 120.50 2r17 h VAL 533 Ca 0.02 -0.71 -0.14 0.00 0.82 0.00 0.00 66.70 66.69 2r17 h VAL 533 Cb 1.01 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 31.55 2r17 h VAL 533 CO 0.09 0.26 -0.30 -0.26 0.02 0.00 0.00 177.57 177.38 2r17 h PHE 534 N 0.64 1.01 -0.98 1.57 -1.00 -1.24 -1.09 116.94 115.86 2r17 h PHE 534 Ca 0.16 -0.27 0.01 0.00 2.81 0.00 0.00 57.97 60.68 2r17 h PHE 534 Cb 0.24 -0.23 -0.05 0.00 3.61 0.00 0.00 35.95 39.52 2r17 h PHE 534 CO 0.01 1.06 0.64 0.00 -1.61 0.00 0.00 178.31 178.41 2r17 h ALA 535 N 0.92 1.28 -0.28 2.45 0.00 -0.41 -2.27 119.26 120.94 2r17 h ALA 535 Ca 0.08 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2r17 h ALA 535 Cb 0.86 -0.40 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 2r17 h ALA 535 CO 0.08 0.66 0.14 0.00 0.00 0.00 0.00 179.25 180.13 2r17 h ALA 536 N 1.37 0.37 -0.81 0.00 0.00 -0.19 -2.03 119.26 117.96 2r17 h ALA 536 Ca 0.36 -0.09 0.07 0.00 0.00 0.00 0.00 54.91 55.26 2r17 h ALA 536 Cb -0.14 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.48 2r17 h ALA 536 CO -0.08 -0.08 0.48 1.88 0.00 0.00 0.00 179.25 181.45 2r17 h TYR 537 N 0.33 0.88 -0.16 0.00 0.05 -0.67 -0.99 116.97 116.41 2r17 h TYR 537 Ca 0.10 0.03 -0.00 0.00 0.05 0.00 0.00 58.73 58.91 2r17 h TYR 537 Cb 0.10 -0.27 -0.01 0.00 1.01 0.00 0.00 36.73 37.56 2r17 h TYR 537 CO -0.02 0.41 0.10 1.96 -1.05 0.00 0.00 178.16 179.55 2r17 h GLN 538 N 0.84 0.22 -0.63 4.88 4.20 -1.27 -2.70 115.11 120.66 2r17 h GLN 538 Ca 0.37 -0.02 0.13 0.00 0.06 0.00 0.00 58.65 59.19 2r17 h GLN 538 Cb 0.25 -0.05 -0.11 0.00 0.30 0.00 0.00 27.48 27.88 2r17 h GLN 538 CO -0.21 0.19 0.01 1.25 -0.67 0.00 0.00 178.83 179.41 2r17 h LEU 539 N 0.19 -0.26 -0.36 1.46 5.85 -0.46 -0.14 115.31 121.59 2r17 h LEU 539 Ca 0.06 0.15 0.07 0.00 0.84 0.00 0.00 57.88 59.01 2r17 h LEU 539 Cb 0.02 0.27 -0.07 0.00 0.37 0.00 0.00 40.66 41.25 2r17 h LEU 539 CO -0.01 -0.11 -0.13 0.00 -0.34 0.00 0.00 178.44 177.85 2r17 h ALA 540 N 1.57 0.17 -0.06 1.25 0.00 -1.03 0.12 119.26 121.28 2r17 h ALA 540 Ca 0.33 0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.37 2r17 h ALA 540 Cb 0.54 0.35 -0.00 0.00 0.00 0.00 0.00 17.79 18.67 2r17 h ALA 540 CO -0.53 -0.50 0.02 0.74 0.00 0.00 0.00 179.25 178.97 2r17 h PHE 541 N -0.06 0.07 -0.05 0.00 -1.00 -0.91 -2.04 116.94 112.95 2r17 h PHE 541 Ca 0.18 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.94 2r17 h PHE 541 Cb 0.33 -0.02 -0.00 0.00 3.61 0.00 0.00 35.95 39.87 2r17 h PHE 541 CO -0.36 0.06 -0.03 -0.09 -1.61 0.00 0.00 178.31 176.28 2r17 h ARG 542 N 0.08 0.12 -0.90 1.51 9.65 0.80 -2.75 114.38 122.89 2r17 h ARG 542 Ca 0.02 -0.06 0.09 0.00 -1.10 0.00 0.00 59.98 58.93 2r17 h ARG 542 Cb 0.02 -0.00 -0.06 0.00 -1.39 0.00 0.00 29.97 28.54 2r17 h ARG 542 CO -0.00 0.52 0.58 1.88 2.80 0.00 0.00 179.97 185.76 2r17 h TYR 543 N -0.29 1.00 -0.33 2.20 0.05 -0.48 -0.71 116.97 118.42 2r17 h TYR 543 Ca 0.01 0.03 -0.03 0.00 0.05 0.00 0.00 58.73 58.79 2r17 h TYR 543 Cb 0.49 -0.33 -0.02 0.00 1.01 0.00 0.00 36.73 37.89 2r17 h TYR 543 CO 0.08 0.48 0.06 -0.22 -1.05 0.00 0.00 178.16 177.51 2r17 h LYS 544 N 0.94 0.48 -0.56 4.88 3.64 -1.24 -2.37 116.57 122.34 2r17 h LYS 544 Ca 0.41 -0.08 0.02 0.00 -1.27 0.00 0.00 60.65 59.74 2r17 h LYS 544 Cb 0.34 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 32.04 2r17 h LYS 544 CO -0.17 0.46 0.34 0.93 -2.27 0.00 0.00 179.45 178.73 2r17 h GLU 545 N 0.47 0.65 -0.48 1.90 5.08 -0.83 0.16 114.58 121.54 2r17 h GLU 545 Ca 0.11 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 2r17 h GLU 545 Cb 0.21 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.31 2r17 h GLU 545 CO -0.00 0.43 0.00 0.09 -1.00 0.00 0.00 179.01 178.53 2r17 n ASN 546 N -4.76 0.48 0.32 1.42 4.13 -0.90 -4.28 115.26 111.66 2r17 n ASN 546 Ca 0.05 -1.47 0.07 0.00 1.68 0.00 0.00 54.58 54.91 2r17 n ASN 546 Cb 0.08 -0.24 0.35 0.00 -1.54 0.00 0.00 39.78 38.43 2r17 n ASN 546 CO 0.00 0.00 0.00 -1.28 0.28 0.00 0.00 177.26 176.26 2r17 h SER 547 N 0.17 0.00 0.00 6.41 0.87 -0.60 0.94 113.55 121.34 2r17 h SER 547 Ca 0.00 0.00 -0.15 0.00 -1.23 0.00 0.00 61.79 60.41 2r17 h SER 547 Cb 0.24 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.17 2r17 h SER 547 CO 0.00 0.00 -1.95 1.17 -0.53 0.00 0.00 176.83 175.52 2r17 n LYS 548 N -2.69 0.96 0.01 2.24 4.81 -1.26 -4.59 118.16 117.63 2r17 n LYS 548 Ca -0.00 -0.08 -0.05 0.00 -0.87 0.00 0.00 58.31 57.31 2r17 n LYS 548 Cb 0.75 -1.41 -0.11 0.00 0.02 0.00 0.00 35.03 34.28 2r17 n LYS 548 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 2r17 h VAL 549 N 0.00 0.73 -3.62 3.15 2.07 -1.18 -3.44 116.25 113.95 2r17 h VAL 549 Ca -0.22 -2.42 -0.62 0.00 0.82 0.00 0.00 66.70 64.25 2r17 h VAL 549 Cb 1.40 2.27 -0.39 0.00 -1.52 0.00 0.00 31.29 33.06 2r17 h VAL 549 CO 0.01 0.41 -0.77 -0.62 0.02 0.00 0.00 177.57 176.62 2r17 s ASP 550 N -5.99 4.08 -0.14 0.57 2.15 -0.66 -5.00 116.67 111.68 2r17 s ASP 550 Ca -0.04 -1.41 0.01 0.00 0.43 0.00 0.00 52.55 51.54 2r17 s ASP 550 Cb 0.08 -1.26 0.16 0.00 -0.30 0.00 0.00 42.92 41.61 2r17 s ASP 550 CO 0.82 -0.27 1.52 -0.90 -0.17 0.00 0.00 175.17 176.16 2r17 n ASP 551 N 4.60 4.19 0.00 -0.34 5.75 -1.26 -2.63 116.55 126.85 2r17 n ASP 551 Ca -0.09 -2.56 0.00 0.00 -0.01 0.00 0.00 54.79 52.14 2r17 n ASP 551 Cb 0.43 -0.77 0.00 0.00 -1.03 0.00 0.00 41.12 39.75 2r17 n ASP 551 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2r17 n LYS 552 N 0.33 0.35 -0.24 0.11 5.02 -1.26 -4.83 118.16 117.64 2r17 n LYS 552 Ca 0.17 -0.50 0.01 0.00 -2.02 0.00 0.00 58.31 55.96 2r17 n LYS 552 Cb 0.72 -0.64 0.13 0.00 -0.02 0.00 0.00 35.03 35.22 2r17 n LYS 552 CO 0.00 0.00 0.00 0.11 -0.52 0.00 0.00 177.40 176.99 2r17 h TRP 553 N 0.00 0.60 -0.91 2.13 5.08 -1.85 -1.10 115.95 119.90 2r17 h TRP 553 Ca 0.00 0.03 0.05 0.00 1.08 0.00 0.00 58.89 60.05 2r17 h TRP 553 Cb 0.64 -0.17 -0.06 0.00 -3.00 0.00 0.00 29.16 26.57 2r17 h TRP 553 CO 0.00 0.22 0.58 0.93 -1.28 0.00 0.00 178.44 178.89 2r17 h GLU 554 N 0.58 1.04 -0.07 0.12 5.08 -1.88 0.16 114.58 119.63 2r17 h GLU 554 Ca 0.34 -0.06 -0.09 0.00 -1.00 0.00 0.00 59.36 58.55 2r17 h GLU 554 Cb 0.34 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 2r17 h GLU 554 CO -0.26 0.69 -0.36 -0.22 -1.00 0.00 0.00 179.01 177.86 2r17 h LYS 555 N 1.08 0.13 -0.06 2.33 3.64 -1.65 -2.13 116.57 119.91 2r17 h LYS 555 Ca 0.38 -0.05 -0.18 0.00 -1.27 0.00 0.00 60.65 59.53 2r17 h LYS 555 Cb 0.11 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 2r17 h LYS 555 CO -0.15 0.48 -0.72 0.87 -2.27 0.00 0.00 179.45 177.65 2r17 h LYS 556 N 0.12 0.31 -0.01 1.90 1.57 0.10 -2.47 116.57 118.09 2r17 h LYS 556 Ca 0.01 -0.26 -0.00 0.00 -1.87 0.00 0.00 60.65 58.53 2r17 h LYS 556 Cb 0.70 0.06 -0.00 0.00 0.08 0.00 0.00 32.23 33.06 2r17 h LYS 556 CO 0.05 0.91 0.00 0.00 -0.57 0.00 0.00 179.45 179.84 2r17 h GLN 558 N -0.21 -0.23 -0.68 0.00 4.20 -1.36 -0.71 115.11 116.14 2r17 h GLN 558 Ca 0.00 0.02 0.10 0.00 0.06 0.00 0.00 58.65 58.83 2r17 h GLN 558 Cb 0.23 0.05 -0.07 0.00 0.30 0.00 0.00 27.48 27.99 2r17 h GLN 558 CO 0.00 -0.15 0.30 -0.22 -0.67 0.00 0.00 178.83 178.09 2r17 h LYS 559 N -0.24 0.50 -0.44 1.46 3.64 -1.27 0.88 116.57 121.10 2r17 h LYS 559 Ca 0.17 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.51 2r17 h LYS 559 Cb 0.51 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.20 2r17 h LYS 559 CO -0.51 0.33 0.24 0.82 -2.27 0.00 0.00 179.45 178.06 2r17 h ILE 560 N 0.51 1.16 -0.04 2.00 2.04 -0.14 0.20 117.51 123.25 2r17 h ILE 560 Ca 0.34 -0.42 -0.05 0.00 1.00 0.00 0.00 64.86 65.73 2r17 h ILE 560 Cb 0.40 0.63 -0.01 0.00 -0.74 0.00 0.00 36.82 37.10 2r17 h ILE 560 CO -0.30 0.17 -0.22 -0.26 0.00 0.00 0.00 178.15 177.55 2r17 h PHE 561 N 0.58 0.07 -0.33 1.37 -1.00 -0.41 0.34 116.94 117.56 2r17 h PHE 561 Ca 0.16 -0.01 -0.04 0.00 2.81 0.00 0.00 57.97 60.89 2r17 h PHE 561 Cb 0.06 -0.02 -0.01 0.00 3.61 0.00 0.00 35.95 39.58 2r17 h PHE 561 CO -0.02 0.28 0.05 1.03 -1.61 0.00 0.00 178.31 178.04 2r17 h SER 562 N 0.06 0.53 -0.56 2.17 0.87 0.11 0.07 113.55 116.80 2r17 h SER 562 Ca 0.01 -0.26 0.07 0.00 -1.23 0.00 0.00 61.79 60.38 2r17 h SER 562 Cb 0.42 -0.14 -0.06 0.00 -0.44 0.00 0.00 62.40 62.19 2r17 h SER 562 CO 0.03 0.66 0.23 0.15 -0.53 0.00 0.00 176.83 177.37 2r17 h PHE 563 N 0.37 0.41 0.01 2.24 3.04 0.16 -1.12 116.94 122.06 2r17 h PHE 563 Ca 0.10 0.03 -0.00 0.00 3.98 0.00 0.00 57.97 62.07 2r17 h PHE 563 Cb 0.36 -0.10 0.00 0.00 2.56 0.00 0.00 35.95 38.77 2r17 h PHE 563 CO 0.02 0.15 -0.00 0.00 -2.02 0.00 0.00 178.31 176.46 2r17 h ALA 564 N 1.35 -0.01 -0.43 2.41 0.00 -0.10 -1.51 119.26 120.97 2r17 h ALA 564 Ca 0.27 -0.08 0.09 0.00 0.00 0.00 0.00 54.91 55.18 2r17 h ALA 564 Cb 0.27 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 17.99 2r17 h ALA 564 CO -0.24 -0.42 -0.11 1.25 0.00 0.00 0.00 179.25 179.72 2r17 h HIS 565 N -0.18 -0.24 -0.07 0.00 -0.00 -0.55 0.46 115.15 114.58 2r17 h HIS 565 Ca -0.00 0.04 -0.00 0.00 -0.00 0.00 0.00 60.37 60.41 2r17 h HIS 565 Cb 0.17 0.17 -0.00 0.00 -0.00 0.00 0.00 27.41 27.75 2r17 h HIS 565 CO -0.02 -0.19 0.04 1.96 -0.00 0.00 0.00 177.93 179.72 2r17 h GLN 566 N -0.00 0.09 -0.61 5.26 4.20 -1.13 0.56 115.11 123.48 2r17 h GLN 566 Ca 0.21 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.90 2r17 h GLN 566 Cb 0.32 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.05 2r17 h GLN 566 CO -0.44 0.15 0.35 1.15 -0.67 0.00 0.00 178.83 179.36 2r17 h THR 567 N 0.01 1.19 -0.73 -0.54 2.02 -0.67 -0.78 112.91 113.41 2r17 h THR 567 Ca 0.02 -0.46 -0.02 0.00 0.77 0.00 0.00 66.41 66.72 2r17 h THR 567 Cb 0.08 0.39 -0.04 0.00 -1.74 0.00 0.00 68.15 66.85 2r17 h THR 567 CO -0.00 0.20 0.39 0.40 0.37 0.00 0.00 175.52 176.88 2r17 h ILE 568 N 0.83 1.22 0.00 3.11 2.04 0.11 -1.87 117.51 122.94 2r17 h ILE 568 Ca 0.22 -0.56 -0.02 0.00 1.00 0.00 0.00 64.86 65.50 2r17 h ILE 568 Cb 0.02 0.24 -0.00 0.00 -0.74 0.00 0.00 36.82 36.34 2r17 h ILE 568 CO -0.04 0.25 -0.09 0.28 0.00 0.00 0.00 178.15 178.55 2r17 h SER 569 N 1.02 0.00 -0.74 1.72 0.02 0.47 -1.75 113.55 114.29 2r17 h SER 569 Ca 0.26 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 61.17 2r17 h SER 569 Cb 0.04 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.55 2r17 h SER 569 CO -0.04 0.09 0.31 0.00 -1.14 0.00 0.00 176.83 176.05 2r17 h ALA 570 N 1.91 0.96 -0.77 3.77 0.00 -0.38 -2.16 119.26 122.58 2r17 h ALA 570 Ca -0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2r17 h ALA 570 Cb 0.16 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 2r17 h ALA 570 CO 0.01 0.58 0.49 -0.07 0.00 0.00 0.00 179.25 180.26 2r17 h LEU 571 N 1.06 0.91 -1.21 0.00 3.38 -1.28 -1.20 115.31 116.97 2r17 h LEU 571 Ca 0.25 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.15 2r17 h LEU 571 Cb 0.19 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 2r17 h LEU 571 CO -0.02 0.68 0.23 0.40 0.09 0.00 0.00 178.44 179.82 2r17 h ILE 572 N 1.05 1.19 0.00 1.22 2.04 -1.25 -0.91 117.51 120.86 2r17 h ILE 572 Ca 0.28 -0.59 -0.04 0.00 1.00 0.00 0.00 64.86 65.51 2r17 h ILE 572 Cb -0.08 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 36.53 2r17 h ILE 572 CO -0.06 0.24 -0.17 0.50 0.00 0.00 0.00 178.15 178.66 2r17 h LYS 573 N 0.78 0.00 -0.59 2.37 3.64 -0.71 -1.14 116.57 120.92 2r17 h LYS 573 Ca 0.19 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.57 2r17 h LYS 573 Cb 0.13 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 2r17 h LYS 573 CO -0.02 0.17 0.00 0.00 -2.27 0.00 0.00 179.45 177.33 2r17 n ALA 574 N -2.17 2.71 -3.72 5.00 0.00 -0.42 -4.88 120.51 117.04 2r17 n ALA 574 Ca 0.01 -0.47 -0.27 0.00 0.00 0.00 0.00 53.44 52.71 2r17 n ALA 574 Cb 0.45 -1.01 0.05 0.00 0.00 0.00 0.00 19.45 18.94 2r17 n ALA 574 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2r17 n GLU 575 N 0.15 -6.54 -3.62 0.00 0.28 -0.43 -4.96 120.64 105.52 2r17 n GLU 575 Ca 0.08 0.71 -0.20 0.00 -0.16 0.00 0.00 57.16 57.59 2r17 n GLU 575 Cb 0.37 -5.67 -0.01 0.00 1.43 0.00 0.00 31.44 27.56 2r17 n GLU 575 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 2r17 s LEU 576 N -7.25 4.08 0.22 -1.84 1.43 -0.78 -5.02 118.68 109.52 2r17 s LEU 576 Ca 0.61 -0.09 0.00 0.00 -1.03 0.00 0.00 54.13 53.62 2r17 s LEU 576 Cb -0.29 -2.80 0.00 0.00 0.03 0.00 0.00 46.19 43.13 2r17 s LEU 576 CO 0.75 -0.32 0.00 0.00 0.23 0.00 0.00 176.35 177.02 2r17 n ALA 577 N -1.57 2.50 -0.11 4.21 0.00 -1.26 -4.31 120.51 119.96 2r17 n ALA 577 Ca -0.03 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.36 2r17 n ALA 577 Cb 0.58 0.00 0.02 0.00 0.00 0.00 0.00 19.45 20.05 2r17 n ALA 577 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2r17 h GLU 578 N 0.00 0.06 0.31 0.00 4.39 -1.96 -0.35 114.58 117.03 2r17 h GLU 578 Ca 0.00 -0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 2r17 h GLU 578 Cb 0.00 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.64 2r17 h GLU 578 CO 0.00 0.04 -0.15 1.25 -1.16 0.00 0.00 179.01 178.99 2r17 h LEU 579 N 0.06 -0.36 -0.71 1.33 6.46 -1.99 -2.05 115.31 118.05 2r17 h LEU 579 Ca 0.19 -0.11 0.12 0.00 -0.12 0.00 0.00 57.88 57.96 2r17 h LEU 579 Cb 0.27 0.09 -0.08 0.00 -0.73 0.00 0.00 40.66 40.21 2r17 h LEU 579 CO -0.35 -0.10 0.29 -0.65 -0.62 0.00 0.00 178.44 177.01 2r17 h PRO 580 N -0.61 0.46 -0.35 5.25 0.11 -1.82 0.12 132.00 135.15 2r17 h PRO 580 Ca -0.04 -0.03 0.04 0.00 0.11 0.00 0.00 66.00 66.08 2r17 h PRO 580 Cb 0.44 -0.10 -0.04 0.00 0.11 0.00 0.00 31.00 31.41 2r17 h PRO 580 CO 0.07 0.30 0.14 1.25 -0.21 0.00 0.00 178.00 179.55 2r17 h LEU 581 N 0.47 0.18 -1.07 2.35 5.85 -1.00 0.47 115.31 122.55 2r17 h LEU 581 Ca 0.37 0.03 -0.05 0.00 0.84 0.00 0.00 57.88 59.08 2r17 h LEU 581 Cb 0.50 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.51 2r17 h LEU 581 CO -0.35 0.14 0.15 0.03 -0.34 0.00 0.00 178.44 178.07 2r17 h ARG 582 N 0.30 0.81 -0.38 1.25 3.08 -0.49 -2.07 114.38 116.87 2r17 h ARG 582 Ca 0.16 -0.15 -0.13 0.00 0.07 0.00 0.00 59.98 59.92 2r17 h ARG 582 Cb 0.11 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 2r17 h ARG 582 CO -0.14 0.72 -0.29 -0.07 -1.07 0.00 0.00 179.97 179.11 2r17 h LEU 583 N 0.79 0.85 -0.70 3.04 3.38 0.07 -2.51 115.31 120.22 2r17 h LEU 583 Ca 0.18 -0.34 -0.03 0.00 0.09 0.00 0.00 57.88 57.78 2r17 h LEU 583 Cb 0.26 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 2r17 h LEU 583 CO -0.01 1.08 0.34 -0.26 0.09 0.00 0.00 178.44 179.68 2r17 h PHE 584 N 0.69 1.01 -0.64 1.13 0.05 -0.59 -1.71 116.94 116.88 2r17 h PHE 584 Ca 0.08 -0.05 -0.02 0.00 3.82 0.00 0.00 57.97 61.80 2r17 h PHE 584 Cb 0.83 -0.31 -0.03 0.00 2.00 0.00 0.00 35.95 38.44 2r17 h PHE 584 CO 0.05 0.75 0.33 -0.07 -0.18 0.00 0.00 178.31 179.18 2r17 h LEU 585 N 0.97 0.83 -0.98 1.54 3.38 -1.27 0.87 115.31 120.65 2r17 h LEU 585 Ca 0.24 -0.12 0.04 0.00 0.09 0.00 0.00 57.88 58.14 2r17 h LEU 585 Cb 0.12 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 40.60 2r17 h LEU 585 CO -0.03 0.71 0.64 1.56 0.09 0.00 0.00 178.44 181.40 2r17 h GLN 586 N 0.88 1.18 -0.42 1.13 1.08 -1.09 0.36 115.11 118.23 2r17 h GLN 586 Ca 0.22 -0.07 -0.10 0.00 -1.45 0.00 0.00 58.65 57.25 2r17 h GLN 586 Cb 0.09 -0.27 -0.01 0.00 -0.05 0.00 0.00 27.48 27.24 2r17 h GLN 586 CO -0.03 0.78 -0.12 0.78 -0.95 0.00 0.00 178.83 179.29 2r17 h GLY 587 N 1.21 0.89 0.30 3.46 0.00 -0.60 -0.25 103.07 108.09 2r17 h GLY 587 Ca 0.40 -0.75 0.08 0.00 0.00 0.00 0.00 47.33 47.06 2r17 h GLY 587 CO -0.14 0.68 0.02 0.00 0.00 0.00 0.00 176.54 177.11 2r17 h ALA 588 N 0.85 0.43 0.62 3.60 0.00 0.23 0.42 119.26 125.40 2r17 h ALA 588 Ca 0.10 0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 2r17 h ALA 588 Cb 0.66 0.20 0.01 0.00 0.00 0.00 0.00 17.79 18.66 2r17 h ALA 588 CO 0.05 -0.38 -0.30 -0.07 0.00 0.00 0.00 179.25 178.55 2r17 h LEU 589 N 0.13 -0.70 -0.16 0.00 4.07 -0.68 -1.70 115.31 116.27 2r17 h LEU 589 Ca 0.22 0.02 0.04 0.00 0.08 0.00 0.00 57.88 58.24 2r17 h LEU 589 Cb 0.32 0.18 -0.04 0.00 1.08 0.00 0.00 40.66 42.20 2r17 h LEU 589 CO -0.35 -0.50 -0.09 0.00 -1.08 0.00 0.00 178.44 176.42 2r17 h ALA 590 N -0.44 0.05 0.05 1.53 0.00 -0.56 -1.40 119.26 118.49 2r17 h ALA 590 Ca -0.08 0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.91 2r17 h ALA 590 Cb 0.64 0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.59 2r17 h ALA 590 CO 0.14 -0.53 -0.26 0.00 0.00 0.00 0.00 179.25 178.61 2r17 h ALA 591 N 1.06 -0.39 0.00 0.00 0.00 -0.15 -1.09 119.26 118.69 2r17 h ALA 591 Ca 0.09 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2r17 h ALA 591 Cb 0.21 0.43 0.00 0.00 0.00 0.00 0.00 17.79 18.43 2r17 h ALA 591 CO -0.21 -0.77 0.00 0.78 0.00 0.00 0.00 179.25 179.05 2r17 h GLY 592 N -0.43 0.00 1.17 0.00 0.00 -0.98 -2.49 103.07 100.34 2r17 h GLY 592 Ca 0.05 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.27 2r17 h GLY 592 CO -0.19 0.00 -1.13 -2.09 0.00 0.00 0.00 176.54 173.13 2r17 h GLU 593 N 0.00 0.00 0.00 4.80 4.57 -0.09 -3.41 114.58 120.44 2r17 h GLU 593 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2r17 h GLU 593 Cb 0.16 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.75 2r17 h GLU 593 CO 0.00 0.24 -0.19 0.82 -1.18 0.00 0.00 179.01 178.70 2r17 h ILE 594 N 0.00 0.00 0.00 2.32 2.04 -0.93 -3.50 117.51 117.44 2r17 h ILE 594 Ca -0.10 -0.81 0.00 0.00 1.00 0.00 0.00 64.86 64.96 2r17 h ILE 594 Cb 1.39 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.47 2r17 h ILE 594 CO 0.04 0.00 0.00 0.61 0.00 0.00 0.00 178.15 178.80 2r17 n GLY 595 N 1.74 1.22 3.69 5.37 0.00 -1.22 -5.10 105.19 110.88 2r17 n GLY 595 Ca -0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.69 2r17 n GLY 595 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2r17 s PHE 596 N -2.00 2.11 -0.03 1.61 -0.12 -1.26 -4.85 117.98 113.44 2r17 s PHE 596 Ca 0.00 1.36 -0.36 0.00 -0.05 0.00 0.00 56.93 57.88 2r17 s PHE 596 Cb 0.00 -3.17 -0.14 0.00 -0.63 0.00 0.00 43.02 39.08 2r17 s PHE 596 CO 0.00 -2.59 1.66 0.39 -0.05 0.00 0.00 175.22 174.63 2r17 n GLU 597 N -4.03 1.71 -1.08 1.99 -0.58 -1.26 -1.39 120.64 115.99 2r17 n GLU 597 Ca 0.07 0.62 -0.03 0.00 -0.42 0.00 0.00 57.16 57.41 2r17 n GLU 597 Cb 0.54 -2.36 -0.01 0.00 -0.57 0.00 0.00 31.44 29.04 2r17 n GLU 597 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 2r17 n ASN 598 N 4.64 -3.70 0.05 1.62 5.15 -1.26 -4.91 115.26 116.85 2r17 n ASN 598 Ca 0.21 0.07 0.03 0.00 -0.60 0.00 0.00 54.58 54.29 2r17 n ASN 598 Cb 0.23 -1.45 0.40 0.00 -0.53 0.00 0.00 39.78 38.44 2r17 n ASN 598 CO 0.00 0.00 0.00 1.12 1.40 0.00 0.00 177.26 179.78 2r17 h HIS 599 N 0.00 0.41 -0.70 1.20 2.07 -1.56 -2.51 115.15 114.07 2r17 h HIS 599 Ca -0.06 -0.02 -0.06 0.00 -2.85 0.00 0.00 60.37 57.39 2r17 h HIS 599 Cb 0.30 -0.13 -0.03 0.00 2.57 0.00 0.00 27.41 30.13 2r17 h HIS 599 CO 0.16 0.36 0.21 1.49 -3.07 0.00 0.00 177.93 177.07 2r17 h GLU 600 N 0.41 1.09 0.00 5.12 4.81 -1.89 0.30 114.58 124.42 2r17 h GLU 600 Ca 0.10 -0.24 -0.13 0.00 -0.13 0.00 0.00 59.36 58.97 2r17 h GLU 600 Cb 0.14 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.35 2r17 h GLU 600 CO -0.01 0.94 -0.60 1.79 -0.73 0.00 0.00 179.01 180.41 2r17 h THR 601 N 1.03 1.36 -0.09 0.32 1.35 -1.91 0.30 112.91 115.26 2r17 h THR 601 Ca 0.22 -2.10 -0.02 0.00 -0.55 0.00 0.00 66.41 63.97 2r17 h THR 601 Cb 0.31 2.15 -0.00 0.00 -1.73 0.00 0.00 68.15 68.89 2r17 h THR 601 CO -0.01 0.59 -0.02 0.58 -0.25 0.00 0.00 175.52 176.41 2r17 h VAL 602 N 0.00 1.28 -0.46 6.82 2.07 -1.00 0.15 116.25 125.12 2r17 h VAL 602 Ca -0.01 -0.91 0.06 0.00 0.82 0.00 0.00 66.70 66.66 2r17 h VAL 602 Cb 1.11 1.72 -0.05 0.00 -1.52 0.00 0.00 31.29 32.54 2r17 h VAL 602 CO 0.08 0.26 0.15 0.00 0.02 0.00 0.00 177.57 178.08 2r17 h ALA 603 N 0.69 0.54 -0.70 1.67 0.00 -0.17 -0.51 119.26 120.77 2r17 h ALA 603 Ca 0.02 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 2r17 h ALA 603 Cb 0.41 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 2r17 h ALA 603 CO 0.01 -0.24 0.42 -0.92 0.00 0.00 0.00 179.25 178.52 2r17 h TYR 604 N 0.32 0.93 -0.37 0.00 5.03 -0.27 -2.86 116.97 119.75 2r17 h TYR 604 Ca 0.22 -0.00 0.03 0.00 2.58 0.00 0.00 58.73 61.55 2r17 h TYR 604 Cb 0.23 -0.30 -0.03 0.00 1.55 0.00 0.00 36.73 38.17 2r17 h TYR 604 CO -0.17 0.63 0.17 1.49 -1.32 0.00 0.00 178.16 178.97 2r17 h GLU 605 N 0.96 0.35 -1.32 1.82 4.22 0.61 -2.10 114.58 119.12 2r17 h GLU 605 Ca 0.25 -0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.67 2r17 h GLU 605 Cb -0.03 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.15 2r17 h GLU 605 CO -0.05 0.23 0.00 1.19 -2.18 0.00 0.00 179.01 178.20 2r17 n PHE 606 N -4.95 0.00 0.00 0.92 3.01 -0.33 -1.62 117.46 114.49 2r17 n PHE 606 Ca 0.01 -0.08 0.00 0.00 1.01 0.00 0.00 57.45 58.39 2r17 n PHE 606 Cb 0.10 -0.10 0.00 0.00 -0.01 0.00 0.00 39.48 39.46 2r17 n PHE 606 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 2r17 n SER 608 N 0.74 0.00 -0.22 4.37 3.41 -0.79 -1.20 113.62 119.93 2r17 n SER 608 Ca 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 58.87 58.59 2r17 n SER 608 Cb 0.10 0.00 0.19 0.00 -0.26 0.00 0.00 64.21 64.24 2r17 n SER 608 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 2r17 h GLN 609 N 0.00 1.01 -0.43 4.33 5.75 -1.55 0.15 115.11 124.37 2r17 h GLN 609 Ca 0.00 -0.12 -0.06 0.00 -0.15 0.00 0.00 58.65 58.33 2r17 h GLN 609 Cb 0.00 -0.20 -0.02 0.00 1.07 0.00 0.00 27.48 28.33 2r17 h GLN 609 CO 0.00 0.75 0.06 0.00 -2.65 0.00 0.00 178.83 176.99 2r17 h ALA 610 N 1.41 0.58 -0.71 3.38 0.00 -1.41 -2.94 119.26 119.57 2r17 h ALA 610 Ca 0.26 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 2r17 h ALA 610 Cb 0.04 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 2r17 h ALA 610 CO -0.04 0.31 0.32 0.74 0.00 0.00 0.00 179.25 180.58 2r17 h PHE 611 N 0.58 1.02 0.29 0.00 -1.00 -1.45 -1.61 116.94 114.77 2r17 h PHE 611 Ca 0.13 -0.05 -0.01 0.00 2.81 0.00 0.00 57.97 60.85 2r17 h PHE 611 Cb 0.40 -0.32 -0.01 0.00 3.61 0.00 0.00 35.95 39.64 2r17 h PHE 611 CO 0.03 0.76 -0.19 0.77 -1.61 0.00 0.00 178.31 178.06 2r17 h SER 612 N 1.01 -0.49 -0.88 2.17 0.02 -0.61 0.14 113.55 114.90 2r17 h SER 612 Ca 0.24 0.03 0.09 0.00 -0.84 0.00 0.00 61.79 61.32 2r17 h SER 612 Cb 0.14 0.15 -0.07 0.00 0.14 0.00 0.00 62.40 62.75 2r17 h SER 612 CO -0.03 -0.30 0.53 -0.07 -1.14 0.00 0.00 176.83 175.82 2r17 h LEU 613 N -0.47 0.79 0.13 5.07 3.38 -1.37 0.24 115.31 123.08 2r17 h LEU 613 Ca -0.03 0.04 0.01 0.00 0.09 0.00 0.00 57.88 58.00 2r17 h LEU 613 Cb 0.40 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 2r17 h LEU 613 CO 0.02 0.46 -0.24 0.22 0.09 0.00 0.00 178.44 178.99 2r17 h TYR 614 N 0.90 -0.63 -0.67 1.13 3.20 -0.42 0.23 116.97 120.70 2r17 h TYR 614 Ca 0.42 0.01 -0.07 0.00 3.14 0.00 0.00 58.73 62.23 2r17 h TYR 614 Cb 0.33 0.26 -0.03 0.00 1.54 0.00 0.00 36.73 38.83 2r17 h TYR 614 CO -0.04 -0.34 0.16 0.93 -1.64 0.00 0.00 178.16 177.24 2r17 h GLU 615 N -0.44 1.07 0.00 1.82 5.08 0.13 -3.26 114.58 118.97 2r17 h GLU 615 Ca 0.02 -0.25 0.00 0.00 -1.00 0.00 0.00 59.36 58.14 2r17 h GLU 615 Cb 0.46 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.57 2r17 h GLU 615 CO -0.12 0.94 -1.86 -0.25 -1.00 0.00 0.00 179.01 176.71 2r17 n ASP 616 N -4.24 0.12 -0.00 1.42 8.00 0.77 -4.72 116.55 117.90 2r17 n ASP 616 Ca 0.05 -0.07 0.02 0.00 0.71 0.00 0.00 54.79 55.50 2r17 n ASP 616 Cb 0.25 1.84 -0.02 0.00 -0.02 0.00 0.00 41.12 43.17 2r17 n ASP 616 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2r17 n GLU 617 N -2.21 3.47 -3.29 -1.24 -0.58 0.79 -4.93 120.64 112.65 2r17 n GLU 617 Ca -0.03 -0.01 -0.45 0.00 -0.42 0.00 0.00 57.16 56.25 2r17 n GLU 617 Cb 0.55 -0.84 -0.06 0.00 -0.57 0.00 0.00 31.44 30.52 2r17 n GLU 617 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 2r17 s ILE 618 N -1.70 5.11 -0.23 -3.67 -1.09 -1.21 -4.90 121.20 113.51 2r17 s ILE 618 Ca 0.00 -1.05 -0.17 0.00 -2.23 0.00 0.00 60.65 57.21 2r17 s ILE 618 Cb 0.02 -4.25 -0.13 0.00 -1.58 0.00 0.00 42.46 36.52 2r17 s ILE 618 CO 0.14 -0.76 -0.15 -1.54 -1.23 0.00 0.00 174.94 171.41 2r17 n SER 619 N 5.54 1.91 -4.64 3.58 3.41 -1.26 -4.83 113.62 117.32 2r17 n SER 619 Ca -0.11 0.39 -0.54 0.00 -0.26 0.00 0.00 58.87 58.35 2r17 n SER 619 Cb 0.43 -0.87 -0.06 0.00 -0.26 0.00 0.00 64.21 63.45 2r17 n SER 619 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2r17 n ASP 620 N -4.37 1.99 -0.32 4.04 -0.08 -1.26 -4.80 116.55 111.75 2r17 n ASP 620 Ca -0.38 1.10 -0.04 0.00 -1.51 0.00 0.00 54.79 53.96 2r17 n ASP 620 Cb 0.72 -1.17 0.08 0.00 2.34 0.00 0.00 41.12 43.09 2r17 n ASP 620 CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 2r17 h SER 621 N 5.78 1.06 -0.62 1.67 4.64 -1.98 0.15 113.55 124.24 2r17 h SER 621 Ca -0.47 -0.07 -0.02 0.00 -0.47 0.00 0.00 61.79 60.76 2r17 h SER 621 Cb 1.33 -0.27 -0.03 0.00 -0.31 0.00 0.00 62.40 63.12 2r17 h SER 621 CO 0.86 0.82 0.31 0.11 -0.87 0.00 0.00 176.83 178.06 2r17 h LYS 622 N 1.20 0.89 -0.57 4.77 1.57 -1.99 0.21 116.57 122.65 2r17 h LYS 622 Ca 0.31 -0.12 -0.02 0.00 -1.87 0.00 0.00 60.65 58.95 2r17 h LYS 622 Cb -0.04 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.08 2r17 h LYS 622 CO -0.06 0.70 0.27 0.00 -0.57 0.00 0.00 179.45 179.79 2r17 h ALA 623 N 1.14 0.73 -0.14 3.86 0.00 -1.81 -1.67 119.26 121.37 2r17 h ALA 623 Ca 0.22 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.00 2r17 h ALA 623 Cb 0.10 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 2r17 h ALA 623 CO -0.03 0.31 0.07 1.96 0.00 0.00 0.00 179.25 181.56 2r17 h GLN 624 N 0.77 0.15 -0.57 0.00 4.20 0.29 0.42 115.11 120.36 2r17 h GLN 624 Ca 0.19 -0.01 0.06 0.00 0.06 0.00 0.00 58.65 58.95 2r17 h GLN 624 Cb 0.13 -0.03 -0.05 0.00 0.30 0.00 0.00 27.48 27.83 2r17 h GLN 624 CO -0.02 0.10 0.28 1.25 -0.67 0.00 0.00 178.83 179.76 2r17 h LEU 625 N 0.15 0.38 0.41 1.46 7.12 -0.46 0.19 115.31 124.57 2r17 h LEU 625 Ca 0.06 0.04 -0.01 0.00 0.13 0.00 0.00 57.88 58.09 2r17 h LEU 625 Cb 0.01 -0.03 -0.01 0.00 -0.53 0.00 0.00 40.66 40.10 2r17 h LEU 625 CO -0.04 0.25 -0.27 0.00 -0.13 0.00 0.00 178.44 178.26 2r17 h ALA 626 N 1.32 -0.66 -0.59 1.25 0.00 -0.73 -2.52 119.26 117.34 2r17 h ALA 626 Ca 0.26 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 2r17 h ALA 626 Cb 0.20 0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 2r17 h ALA 626 CO -0.20 -0.89 0.18 0.00 0.00 0.00 0.00 179.25 178.35 2r17 h ALA 627 N -0.12 0.77 -0.36 0.00 0.00 -0.51 -2.02 119.26 117.02 2r17 h ALA 627 Ca -0.04 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.66 2r17 h ALA 627 Cb 0.55 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 2r17 h ALA 627 CO 0.03 0.44 0.23 0.97 0.00 0.00 0.00 179.25 180.92 2r17 h ILE 628 N 0.83 1.11 0.00 0.00 6.09 -0.58 0.11 117.51 125.06 2r17 h ILE 628 Ca 0.19 -0.22 -0.05 0.00 -1.37 0.00 0.00 64.86 63.41 2r17 h ILE 628 Cb 0.29 0.61 -0.01 0.00 0.47 0.00 0.00 36.82 38.19 2r17 h ILE 628 CO -0.00 0.10 -0.24 0.00 -3.07 0.00 0.00 178.15 174.94 2r17 h THR 629 N 0.48 1.02 -0.14 2.19 1.03 -1.41 0.23 112.91 116.32 2r17 h THR 629 Ca 0.13 -0.87 -0.03 0.00 -0.01 0.00 0.00 66.41 65.63 2r17 h THR 629 Cb -0.03 1.49 -0.00 0.00 -1.07 0.00 0.00 68.15 68.54 2r17 h THR 629 CO -0.03 0.24 -0.04 0.25 -0.01 0.00 0.00 175.52 175.93 2r17 h LEU 630 N 0.00 0.28 -0.30 0.00 6.46 -0.51 -0.34 115.31 120.90 2r17 h LEU 630 Ca -0.00 -0.38 0.05 0.00 -0.12 0.00 0.00 57.88 57.42 2r17 h LEU 630 Cb 0.47 -0.08 -0.04 0.00 -0.73 0.00 0.00 40.66 40.28 2r17 h LEU 630 CO 0.03 0.60 0.03 0.40 -0.62 0.00 0.00 178.44 178.88 2r17 h ILE 631 N -0.05 0.82 -0.26 4.05 2.04 -0.00 0.15 117.51 124.26 2r17 h ILE 631 Ca 0.03 -0.04 -0.01 0.00 1.00 0.00 0.00 64.86 65.84 2r17 h ILE 631 Cb 0.48 0.68 -0.01 0.00 -0.74 0.00 0.00 36.82 37.24 2r17 h ILE 631 CO 0.02 0.02 0.12 0.40 0.00 0.00 0.00 178.15 178.71 2r17 h ILE 632 N 0.12 1.15 -0.93 -0.67 2.04 -0.93 0.16 117.51 118.44 2r17 h ILE 632 Ca 0.14 -0.42 0.02 0.00 1.00 0.00 0.00 64.86 65.60 2r17 h ILE 632 Cb 0.17 0.95 -0.05 0.00 -0.74 0.00 0.00 36.82 37.16 2r17 h ILE 632 CO -0.21 0.15 0.62 1.23 0.00 0.00 0.00 178.15 179.93 2r17 h GLY 633 N 0.28 1.32 0.59 5.37 0.00 -0.60 0.19 103.07 110.22 2r17 h GLY 633 Ca 0.09 -0.48 -0.02 0.00 0.00 0.00 0.00 47.33 46.92 2r17 h GLY 633 CO -0.01 0.45 -0.04 -0.84 0.00 0.00 0.00 176.54 176.10 2r17 h THR 634 N 1.24 1.37 -0.04 4.70 2.02 -0.40 -3.02 112.91 118.78 2r17 h THR 634 Ca 0.35 -1.18 -0.01 0.00 0.77 0.00 0.00 66.41 66.34 2r17 h THR 634 Cb -0.10 2.06 -0.00 0.00 -1.74 0.00 0.00 68.15 68.37 2r17 h THR 634 CO -0.09 0.32 0.00 0.15 0.37 0.00 0.00 175.52 176.28 2r17 h PHE 635 N -0.33 0.05 0.00 3.16 -0.00 -0.30 -2.48 116.94 117.04 2r17 h PHE 635 Ca 0.01 0.00 -0.06 0.00 -0.00 0.00 0.00 57.97 57.92 2r17 h PHE 635 Cb 0.54 -0.02 -0.01 0.00 -0.00 0.00 0.00 35.95 36.46 2r17 h PHE 635 CO 0.09 0.06 -0.26 1.49 -0.00 0.00 0.00 178.31 179.69 2r17 h GLU 636 N 0.06 0.00 -2.26 1.11 4.22 -0.51 -3.45 114.58 113.74 2r17 h GLU 636 Ca 0.01 0.00 -0.39 0.00 0.08 0.00 0.00 59.36 59.06 2r17 h GLU 636 Cb 0.04 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.22 2r17 h GLU 636 CO 0.00 0.26 0.88 0.54 -2.18 0.00 0.00 179.01 178.52 2r17 n ARG 637 N -3.75 2.64 0.00 1.92 5.12 -0.94 -5.04 116.66 116.61 2r17 n ARG 637 Ca -0.01 -1.69 0.00 0.00 -1.93 0.00 0.00 57.85 54.21 2r17 n ARG 637 Cb 0.37 -2.25 0.00 0.00 -1.16 0.00 0.00 32.46 29.42 2r17 n ARG 637 CO 0.00 0.00 0.00 0.36 -1.93 0.00 0.00 177.63 176.06 2r17 n LYS 639 N 2.37 0.00 0.00 5.56 2.85 -1.26 -5.13 118.16 122.55 2r17 n LYS 639 Ca 0.53 0.00 0.08 0.00 -1.05 0.00 0.00 58.31 57.87 2r17 n LYS 639 Cb 0.65 0.00 -0.09 0.00 -0.65 0.00 0.00 35.03 34.95 2r17 n LYS 639 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2r17 s PHE 641 N -2.54 3.61 1.11 0.00 2.99 -1.26 -4.86 117.98 117.03 2r17 s PHE 641 Ca 0.07 1.07 -0.17 0.00 0.00 0.00 0.00 56.93 57.90 2r17 s PHE 641 Cb 0.13 -2.58 0.25 0.00 0.00 0.00 0.00 43.02 40.81 2r17 s PHE 641 CO 0.67 0.27 1.16 -1.54 -0.00 0.00 0.00 175.22 175.78 2r17 s SER 642 N 0.17 1.78 0.24 1.36 1.04 -1.26 -4.60 113.70 112.42 2r17 s SER 642 Ca 0.29 0.61 -0.02 0.00 0.48 0.00 0.00 55.95 57.32 2r17 s SER 642 Cb -0.17 -0.87 0.27 0.00 0.10 0.00 0.00 66.02 65.35 2r17 s SER 642 CO 0.14 -3.59 1.67 -0.33 0.98 0.00 0.00 173.24 172.11 2r17 h GLU 643 N -2.22 0.68 0.00 4.02 5.08 -1.98 0.28 114.58 120.45 2r17 h GLU 643 Ca -0.46 -0.26 -0.00 0.00 -1.00 0.00 0.00 59.36 57.64 2r17 h GLU 643 Cb 1.29 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.50 2r17 h GLU 643 CO 0.39 0.84 -0.01 1.05 -1.00 0.00 0.00 179.01 180.29 2r17 h GLU 644 N 0.60 0.00 0.00 2.33 4.11 -2.01 -1.82 114.58 117.78 2r17 h GLU 644 Ca 0.09 0.00 -0.27 0.00 0.07 0.00 0.00 59.36 59.25 2r17 h GLU 644 Cb 0.70 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.90 2r17 h GLU 644 CO 0.05 0.01 -2.03 0.09 0.07 0.00 0.00 179.01 177.21 2r17 n ASN 645 N -3.27 2.41 0.08 3.06 3.02 -1.02 -4.48 115.26 115.06 2r17 n ASN 645 Ca -0.03 -0.08 0.04 0.00 -0.03 0.00 0.00 54.58 54.49 2r17 n ASN 645 Cb 0.11 -0.10 0.47 0.00 -0.61 0.00 0.00 39.78 39.64 2r17 n ASN 645 CO 0.00 0.00 0.00 -0.74 -2.62 0.00 0.00 177.26 173.90 2r17 h HIS 646 N 0.00 0.34 0.13 3.10 2.76 -0.27 -3.03 115.15 118.19 2r17 h HIS 646 Ca -0.40 -0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 57.76 2r17 h HIS 646 Cb 1.67 -0.11 0.00 0.00 1.55 0.00 0.00 27.41 30.52 2r17 h HIS 646 CO 0.02 0.26 -0.06 1.49 -1.30 0.00 0.00 177.93 178.34 2r17 h GLU 647 N 0.36 -0.17 -0.45 5.26 4.22 -1.57 -1.99 114.58 120.25 2r17 h GLU 647 Ca 0.09 0.01 0.09 0.00 0.08 0.00 0.00 59.36 59.63 2r17 h GLU 647 Cb 0.05 0.04 -0.08 0.00 0.50 0.00 0.00 28.75 29.25 2r17 h GLU 647 CO -0.01 0.12 -0.06 -1.35 -2.18 0.00 0.00 179.01 175.53 2r17 h PRO 648 N -0.46 0.05 0.13 0.92 0.11 -1.75 -1.67 132.00 129.33 2r17 h PRO 648 Ca -0.02 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.08 2r17 h PRO 648 Cb 0.37 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.47 2r17 h PRO 648 CO 0.03 0.03 -0.06 -0.07 -0.21 0.00 0.00 178.00 177.72 2r17 h LEU 649 N 0.05 -0.15 -0.93 2.35 3.38 -1.61 -0.90 115.31 117.50 2r17 h LEU 649 Ca 0.22 -0.21 0.25 0.00 0.09 0.00 0.00 57.88 58.23 2r17 h LEU 649 Cb 0.33 0.04 -0.17 0.00 0.09 0.00 0.00 40.66 40.95 2r17 h LEU 649 CO -0.42 0.13 0.05 -0.09 0.09 0.00 0.00 178.44 178.20 2r17 h ARG 650 N -0.43 0.05 0.00 1.13 2.43 -1.03 0.67 114.38 117.21 2r17 h ARG 650 Ca -0.02 -0.00 -0.19 0.00 -0.81 0.00 0.00 59.98 58.95 2r17 h ARG 650 Cb 0.35 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.86 2r17 h ARG 650 CO 0.03 0.03 -0.93 1.79 -1.51 0.00 0.00 179.97 179.39 2r17 h THR 651 N 0.05 1.66 0.00 0.20 1.35 -1.14 -2.33 112.91 112.71 2r17 h THR 651 Ca 0.56 -3.18 -0.04 0.00 -0.55 0.00 0.00 66.41 63.20 2r17 h THR 651 Cb 1.12 2.72 -0.01 0.00 -1.73 0.00 0.00 68.15 70.25 2r17 h THR 651 CO -0.84 0.91 -0.18 -0.61 -0.25 0.00 0.00 175.52 174.54 2r17 h GLN 652 N 0.00 0.00 -0.00 4.72 4.15 0.16 0.11 115.11 124.25 2r17 h GLN 652 Ca -0.01 0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.37 2r17 h GLN 652 Cb 1.64 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.34 2r17 h GLN 652 CO 0.12 0.18 -0.16 0.00 -1.93 0.00 0.00 178.83 177.05 2r17 h ALA 654 N 0.26 0.43 0.07 0.00 0.00 -0.87 -1.35 119.26 117.80 2r17 h ALA 654 Ca -0.02 0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.00 2r17 h ALA 654 Cb 0.91 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.76 2r17 h ALA 654 CO 0.03 -0.32 -0.30 -0.07 0.00 0.00 0.00 179.25 178.59 2r17 h LEU 655 N 0.21 -0.86 -0.89 0.00 3.38 -0.87 -0.94 115.31 115.34 2r17 h LEU 655 Ca 0.19 0.11 0.16 0.00 0.09 0.00 0.00 57.88 58.42 2r17 h LEU 655 Cb 0.23 0.34 -0.10 0.00 0.09 0.00 0.00 40.66 41.22 2r17 h LEU 655 CO -0.25 -0.38 0.49 0.00 0.09 0.00 0.00 178.44 178.39 2r17 h ALA 656 N 0.23 1.38 0.29 1.53 0.00 -1.17 -1.45 119.26 120.06 2r17 h ALA 656 Ca 0.04 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 2r17 h ALA 656 Cb 0.54 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 2r17 h ALA 656 CO -0.20 -0.06 -0.17 0.00 0.00 0.00 0.00 179.25 178.81 2r17 h ALA 657 N 1.58 -0.43 0.00 0.00 0.00 -0.41 -1.90 119.26 118.10 2r17 h ALA 657 Ca 0.49 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.32 2r17 h ALA 657 Cb 0.70 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.70 2r17 h ALA 657 CO -0.36 -0.75 0.00 -1.13 0.00 0.00 0.00 179.25 177.00 2r17 n SER 658 N -5.30 0.00 -0.00 0.00 3.41 -0.44 -2.21 113.62 109.09 2r17 n SER 658 Ca -0.09 -0.35 0.10 0.00 -0.26 0.00 0.00 58.87 58.27 2r17 n SER 658 Cb 0.21 -0.05 -0.13 0.00 -0.26 0.00 0.00 64.21 63.99 2r17 n SER 658 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2r17 n LYS 659 N -1.05 0.21 -1.73 4.33 5.02 -0.72 -4.97 118.16 119.26 2r17 n LYS 659 Ca 0.10 -0.03 -0.42 0.00 -2.02 0.00 0.00 58.31 55.93 2r17 n LYS 659 Cb 0.06 -1.49 -0.01 0.00 -0.02 0.00 0.00 35.03 33.57 2r17 n LYS 659 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2r17 n LEU 660 N -1.61 4.03 0.40 -0.35 4.77 -0.94 -4.94 117.00 118.37 2r17 n LEU 660 Ca 0.03 1.18 -0.16 0.00 -0.03 0.00 0.00 56.01 57.02 2r17 n LEU 660 Cb 0.36 -1.54 -0.08 0.00 -2.33 0.00 0.00 43.42 39.83 2r17 n LEU 660 CO 0.43 -0.11 0.50 0.25 -1.33 0.00 0.00 177.39 177.13 2r17 h LEU 661 N 3.81 -0.87 -9.57 2.23 5.85 -1.93 -3.42 115.31 111.40 2r17 h LEU 661 Ca -0.47 0.03 -0.52 0.00 0.84 0.00 0.00 57.88 57.75 2r17 h LEU 661 Cb 1.25 0.23 0.04 0.00 0.37 0.00 0.00 40.66 42.55 2r17 h LEU 661 CO 0.72 -0.60 1.01 -0.54 -0.34 0.00 0.00 178.44 178.69 2r17 s LYS 662 N -5.16 4.16 0.14 1.25 1.02 -1.26 -4.92 119.74 114.97 2r17 s LYS 662 Ca -0.15 2.51 -0.19 0.00 0.02 0.00 0.00 55.97 58.16 2r17 s LYS 662 Cb 0.02 -3.32 0.01 0.00 -0.52 0.00 0.00 37.83 34.02 2r17 s LYS 662 CO 0.45 -0.74 1.69 -0.22 -0.92 0.00 0.00 175.35 175.60 2r17 h LYS 663 N 7.54 -0.03 -0.52 1.68 1.63 -1.94 -1.19 116.57 123.74 2r17 h LYS 663 Ca -0.44 0.00 0.07 0.00 -0.85 0.00 0.00 60.65 59.44 2r17 h LYS 663 Cb 1.21 0.01 -0.06 0.00 -0.60 0.00 0.00 32.23 32.78 2r17 h LYS 663 CO 0.94 -0.02 0.18 -1.35 -3.45 0.00 0.00 179.45 175.75 2r17 h PRO 664 N -0.03 0.35 0.06 1.90 0.11 -1.91 -0.11 132.00 132.37 2r17 h PRO 664 Ca 0.13 -0.02 0.02 0.00 0.11 0.00 0.00 66.00 66.24 2r17 h PRO 664 Cb 0.22 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 31.22 2r17 h PRO 664 CO -0.28 0.23 -0.22 -0.44 -0.21 0.00 0.00 178.00 177.08 2r17 h ASP 665 N 0.36 -0.63 -0.44 -2.05 3.32 -1.81 -0.56 116.42 114.61 2r17 h ASP 665 Ca 0.25 0.08 0.08 0.00 0.02 0.00 0.00 57.03 57.47 2r17 h ASP 665 Cb 0.28 0.25 -0.10 0.00 0.22 0.00 0.00 39.33 39.98 2r17 h ASP 665 CO -0.26 -0.30 -0.33 -0.61 -1.72 0.00 0.00 179.24 176.03 2r17 h GLN 666 N -0.38 -0.22 -0.70 3.56 4.15 -0.61 0.10 115.11 121.00 2r17 h GLN 666 Ca 0.04 0.02 0.14 0.00 0.77 0.00 0.00 58.65 59.62 2r17 h GLN 666 Cb 0.43 0.05 -0.10 0.00 0.21 0.00 0.00 27.48 28.07 2r17 h GLN 666 CO -0.16 -0.15 0.19 0.78 -1.93 0.00 0.00 178.83 177.57 2r17 h GLY 667 N -0.23 0.98 1.00 2.39 0.00 -0.25 0.33 103.07 107.28 2r17 h GLY 667 Ca 0.18 -0.06 -0.15 0.00 0.00 0.00 0.00 47.33 47.30 2r17 h GLY 667 CO -0.57 -0.15 -0.47 3.21 0.00 0.00 0.00 176.54 178.57 2r17 h ARG 668 N 0.31 0.69 -0.35 4.80 3.08 0.16 -2.09 114.38 120.98 2r17 h ARG 668 Ca 0.39 -0.46 -0.04 0.00 0.07 0.00 0.00 59.98 59.94 2r17 h ARG 668 Cb 0.62 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.72 2r17 h ARG 668 CO -0.45 1.08 0.06 0.00 -1.07 0.00 0.00 179.97 179.59 2r17 h ALA 669 N 0.61 0.46 -0.66 0.04 0.00 -0.40 -1.75 119.26 117.56 2r17 h ALA 669 Ca 0.00 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 2r17 h ALA 669 Cb 1.07 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 2r17 h ALA 669 CO 0.10 0.16 0.33 0.28 0.00 0.00 0.00 179.25 180.13 2r17 h VAL 670 N 0.41 1.21 -0.35 0.00 2.07 -0.99 -1.33 116.25 117.27 2r17 h VAL 670 Ca 0.11 -0.55 -0.12 0.00 0.82 0.00 0.00 66.70 66.96 2r17 h VAL 670 Cb 0.35 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 30.45 2r17 h VAL 670 CO 0.01 0.24 -0.26 0.77 0.02 0.00 0.00 177.57 178.35 2r17 h SER 671 N 0.92 0.73 1.51 0.57 4.64 -1.06 -2.63 113.55 118.24 2r17 h SER 671 Ca 0.23 -0.27 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 2r17 h SER 671 Cb 0.06 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 61.95 2r17 h SER 671 CO -0.03 0.96 0.00 0.71 -0.87 0.00 0.00 176.83 177.60 2r17 h THR 672 N 0.62 0.00 0.00 2.95 1.35 -0.82 -2.69 112.91 114.32 2r17 h THR 672 Ca 0.08 -0.75 -0.02 0.00 -0.55 0.00 0.00 66.41 65.17 2r17 h THR 672 Cb 0.76 1.75 -0.00 0.00 -1.73 0.00 0.00 68.15 68.93 2r17 h THR 672 CO 0.06 0.00 -0.08 0.00 -0.25 0.00 0.00 175.52 175.25 2r17 h ALA 674 N 1.92 2.26 0.00 0.00 0.00 -1.50 0.59 119.26 122.53 2r17 h ALA 674 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2r17 h ALA 674 Cb 0.36 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2r17 h ALA 674 CO 0.01 -0.63 0.00 0.45 0.00 0.00 0.00 179.25 179.08 2r17 h HIS 675 N 0.00 0.00 0.00 0.00 3.86 -1.68 -2.37 115.15 114.97 2r17 h HIS 675 Ca 0.21 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.42 2r17 h HIS 675 Cb 1.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.47 2r17 h HIS 675 CO 0.00 0.00 0.00 -0.07 0.86 0.00 0.00 177.93 178.72 2r17 h LEU 676 N 0.00 0.00 -4.15 2.43 3.38 -1.08 -3.06 115.31 112.84 2r17 h LEU 676 Ca 0.00 0.00 -0.65 0.00 0.09 0.00 0.00 57.88 57.32 2r17 h LEU 676 Cb 0.56 0.00 -0.33 0.00 0.09 0.00 0.00 40.66 40.98 2r17 h LEU 676 CO 0.00 0.00 0.33 0.49 0.09 0.00 0.00 178.44 179.35 2r17 n PHE 677 N -2.40 3.09 -0.67 1.13 3.01 -0.89 -5.05 117.46 115.68 2r17 n PHE 677 Ca 0.04 -2.71 0.00 0.00 1.01 0.00 0.00 57.45 55.78 2r17 n PHE 677 Cb 0.36 -1.00 0.00 0.00 -0.01 0.00 0.00 39.48 38.83 2r17 n PHE 677 CO 0.00 0.00 0.00 1.87 1.01 0.00 0.00 176.76 179.64 2r17 n TRP 678 N -0.76 0.00 -4.24 1.38 -0.00 -1.16 -4.11 117.44 108.55 2r17 n TRP 678 Ca 0.54 0.00 -0.24 0.00 -0.00 0.00 0.00 57.50 57.80 2r17 n TRP 678 Cb 0.67 0.11 -0.08 0.00 -0.00 0.00 0.00 31.31 32.01 2r17 n TRP 678 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 177.69 178.19 2r17 s ARG 695 N 0.00 2.18 0.00 5.87 6.06 -1.26 -4.87 118.95 126.92 2r17 s ARG 695 Ca 0.00 -1.75 0.00 0.00 -2.50 0.00 0.00 55.73 51.48 2r17 s ARG 695 Cb 0.00 -1.98 0.00 0.00 0.06 0.00 0.00 34.95 33.03 2r17 s ARG 695 CO 0.00 0.05 0.00 0.28 -2.50 0.00 0.00 175.30 173.13 2r17 n VAL 696 N -1.07 0.00 0.00 7.11 0.31 -1.26 -2.28 118.33 121.14 2r17 n VAL 696 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.30 2r17 n VAL 696 Cb 0.63 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.56 2r17 n VAL 696 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 2r17 n GLU 698 N 0.16 0.00 -0.09 5.55 2.13 -1.26 -1.12 120.64 126.01 2r17 n GLU 698 Ca 0.00 0.00 -0.06 0.00 0.66 0.00 0.00 57.16 57.76 2r17 n GLU 698 Cb 0.00 0.00 0.01 0.00 0.27 0.00 0.00 31.44 31.72 2r17 n GLU 698 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2r17 h LEU 700 N 0.18 0.00 0.01 0.00 3.38 -1.40 -2.12 115.31 115.35 2r17 h LEU 700 Ca 0.15 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.99 2r17 h LEU 700 Cb 0.17 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.93 2r17 h LEU 700 CO -0.20 0.09 -0.51 0.11 0.09 0.00 0.00 178.44 178.01 2r17 h LYS 701 N 0.00 0.32 -0.65 1.13 1.57 -1.65 -2.53 116.57 114.77 2r17 h LYS 701 Ca -0.00 -0.37 0.12 0.00 -1.87 0.00 0.00 60.65 58.54 2r17 h LYS 701 Cb 0.27 0.11 -0.09 0.00 0.08 0.00 0.00 32.23 32.60 2r17 h LYS 701 CO 0.01 1.06 0.17 -0.22 -0.57 0.00 0.00 179.45 179.90 2r17 h LYS 702 N -0.26 0.29 -0.83 3.15 1.63 -1.05 0.14 116.57 119.64 2r17 h LYS 702 Ca -0.07 -0.02 0.06 0.00 -0.85 0.00 0.00 60.65 59.77 2r17 h LYS 702 Cb 1.25 -0.07 -0.06 0.00 -0.60 0.00 0.00 32.23 32.76 2r17 h LYS 702 CO 0.10 0.19 0.51 0.00 -3.45 0.00 0.00 179.45 176.81 2r17 h ALA 703 N 1.51 1.13 -0.27 5.00 0.00 -1.37 0.18 119.26 125.44 2r17 h ALA 703 Ca 0.34 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.23 2r17 h ALA 703 Cb 0.52 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2r17 h ALA 703 CO -0.41 0.26 0.11 -0.07 0.00 0.00 0.00 179.25 179.14 2r17 h LEU 704 N 0.95 0.37 -0.20 0.00 3.38 -0.35 -0.46 115.31 118.99 2r17 h LEU 704 Ca 0.36 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 2r17 h LEU 704 Cb 0.15 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 2r17 h LEU 704 CO -0.16 0.42 0.08 0.11 0.09 0.00 0.00 178.44 178.98 2r17 h LYS 705 N 0.29 0.30 -0.75 1.13 1.57 -0.71 -1.37 116.57 117.03 2r17 h LYS 705 Ca 0.09 -0.05 0.18 0.00 -1.87 0.00 0.00 60.65 59.00 2r17 h LYS 705 Cb 0.17 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.38 2r17 h LYS 705 CO -0.01 0.36 0.52 0.82 -0.57 0.00 0.00 179.45 180.56 2r17 h ILE 706 N 0.18 0.71 -0.14 1.86 2.04 -0.81 -0.84 117.51 120.52 2r17 h ILE 706 Ca 0.07 -0.07 -0.03 0.00 1.00 0.00 0.00 64.86 65.82 2r17 h ILE 706 Cb 0.17 0.47 -0.00 0.00 -0.74 0.00 0.00 36.82 36.72 2r17 h ILE 706 CO -0.01 0.04 -0.04 0.00 0.00 0.00 0.00 178.15 178.14 2r17 h ALA 707 N 1.65 0.19 0.00 1.87 0.00 0.02 -2.77 119.26 120.22 2r17 h ALA 707 Ca 0.37 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2r17 h ALA 707 Cb 1.13 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.87 2r17 h ALA 707 CO -0.08 -0.05 0.00 -0.91 0.00 0.00 0.00 179.25 178.22 2r17 h ASN 708 N -0.05 0.00 -0.11 0.00 2.35 -0.59 -1.08 115.58 116.10 2r17 h ASN 708 Ca 0.03 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 2r17 h ASN 708 Cb 0.48 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.85 2r17 h ASN 708 CO 0.02 0.00 0.00 0.00 -1.65 0.00 0.00 177.43 175.80 2r17 n GLN 709 N -2.49 1.34 -1.30 0.81 6.02 -0.94 -5.10 117.38 115.72 2r17 n GLN 709 Ca -0.00 -0.52 -0.11 0.00 -0.01 0.00 0.00 57.00 56.36 2r17 n GLN 709 Cb 0.14 -1.24 0.06 0.00 1.02 0.00 0.00 30.24 30.22 2r17 n GLN 709 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2r17 n ASP 712 N -3.07 0.00 0.01 0.00 -0.08 -1.26 -4.86 116.55 107.28 2r17 n ASP 712 Ca 0.07 0.00 -0.10 0.00 -1.51 0.00 0.00 54.79 53.26 2r17 n ASP 712 Cb 0.26 0.00 0.05 0.00 2.34 0.00 0.00 41.12 43.77 2r17 n ASP 712 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 2r17 h PRO 713 N 0.48 0.55 -0.25 -0.67 0.13 -2.01 -2.56 132.00 127.67 2r17 h PRO 713 Ca 0.00 -0.35 0.03 0.00 -0.87 0.00 0.00 66.00 64.81 2r17 h PRO 713 Cb 0.00 0.04 -0.03 0.00 0.13 0.00 0.00 31.00 31.14 2r17 h PRO 713 CO 0.00 0.96 0.05 1.03 -0.23 0.00 0.00 178.00 179.81 2r17 h SER 714 N 0.42 0.01 0.57 1.44 0.87 -1.98 -1.37 113.55 113.52 2r17 h SER 714 Ca 0.01 0.04 -0.06 0.00 -1.23 0.00 0.00 61.79 60.54 2r17 h SER 714 Cb 1.10 0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 63.11 2r17 h SER 714 CO 0.10 0.04 -0.29 -0.07 -0.53 0.00 0.00 176.83 176.09 2r17 h LEU 715 N 0.15 0.00 -0.64 2.23 4.07 -1.98 -2.82 115.31 116.32 2r17 h LEU 715 Ca 0.11 0.00 -0.08 0.00 0.08 0.00 0.00 57.88 58.00 2r17 h LEU 715 Cb 0.11 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 41.83 2r17 h LEU 715 CO -0.15 0.29 0.11 -0.61 -1.08 0.00 0.00 178.44 177.00 2r17 h GLN 716 N 0.00 1.06 -0.57 1.13 4.15 -0.85 -2.81 115.11 117.22 2r17 h GLN 716 Ca -0.00 -0.28 -0.05 0.00 0.77 0.00 0.00 58.65 59.08 2r17 h GLN 716 Cb 0.65 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 28.20 2r17 h GLN 716 CO 0.04 0.98 0.14 0.28 -1.93 0.00 0.00 178.83 178.34 2r17 h VAL 717 N 0.97 1.25 0.63 2.39 2.07 -1.07 -2.86 116.25 119.62 2r17 h VAL 717 Ca 0.19 -0.88 -0.02 0.00 0.82 0.00 0.00 66.70 66.81 2r17 h VAL 717 Cb 0.43 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 2r17 h VAL 717 CO 0.01 0.33 -0.49 1.56 0.02 0.00 0.00 177.57 179.00 2r17 h GLN 718 N 0.81 -1.04 -0.94 1.57 4.20 -1.42 -1.10 115.11 117.20 2r17 h GLN 718 Ca 0.18 0.07 0.17 0.00 0.06 0.00 0.00 58.65 59.13 2r17 h GLN 718 Cb 0.34 0.24 -0.10 0.00 0.30 0.00 0.00 27.48 28.25 2r17 h GLN 718 CO 0.00 -0.69 0.53 -0.07 -0.67 0.00 0.00 178.83 177.94 2r17 h LEU 719 N -1.07 0.67 -0.31 1.46 4.07 -1.54 1.30 115.31 119.88 2r17 h LEU 719 Ca -0.08 0.10 0.03 0.00 0.08 0.00 0.00 57.88 58.00 2r17 h LEU 719 Cb 0.89 -0.02 -0.03 0.00 1.08 0.00 0.00 40.66 42.59 2r17 h LEU 719 CO 0.02 0.25 0.14 -0.26 -1.08 0.00 0.00 178.44 177.50 2r17 h PHE 720 N 0.70 0.25 -0.02 1.13 0.04 -1.23 1.46 116.94 119.27 2r17 h PHE 720 Ca 0.53 0.01 -0.00 0.00 2.80 0.00 0.00 57.97 61.31 2r17 h PHE 720 Cb 0.80 -0.07 -0.00 0.00 2.20 0.00 0.00 35.95 38.88 2r17 h PHE 720 CO -0.05 0.13 -0.00 0.82 -0.60 0.00 0.00 178.31 178.61 2r17 h ILE 721 N 0.29 1.28 -0.38 -0.55 2.04 0.51 0.36 117.51 121.06 2r17 h ILE 721 Ca 0.13 -0.83 0.08 0.00 1.00 0.00 0.00 64.86 65.24 2r17 h ILE 721 Cb 0.07 1.79 -0.07 0.00 -0.74 0.00 0.00 36.82 37.87 2r17 h ILE 721 CO -0.11 0.22 -0.11 -0.33 0.00 0.00 0.00 178.15 177.82 2r17 h GLU 722 N -0.29 -0.02 -0.50 2.37 5.08 0.19 -0.60 114.58 120.81 2r17 h GLU 722 Ca 0.01 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.30 2r17 h GLU 722 Cb 0.36 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 2r17 h GLU 722 CO 0.00 -0.01 0.04 0.82 -1.00 0.00 0.00 179.01 178.86 2r17 h ILE 723 N -0.02 1.24 -0.57 3.13 2.04 0.22 -2.26 117.51 121.28 2r17 h ILE 723 Ca 0.19 -0.95 0.10 0.00 1.00 0.00 0.00 64.86 65.19 2r17 h ILE 723 Cb 0.30 0.81 -0.08 0.00 -0.74 0.00 0.00 36.82 37.12 2r17 h ILE 723 CO -0.41 0.34 0.16 0.25 0.00 0.00 0.00 178.15 178.49 2r17 h LEU 724 N 0.77 0.09 -1.60 1.44 6.46 0.12 0.13 115.31 122.72 2r17 h LEU 724 Ca 0.16 0.09 -0.03 0.00 -0.12 0.00 0.00 57.88 57.98 2r17 h LEU 724 Cb 0.41 0.10 -0.01 0.00 -0.73 0.00 0.00 40.66 40.43 2r17 h LEU 724 CO 0.01 0.06 -0.03 0.78 -0.62 0.00 0.00 178.44 178.65 2r17 h ASN 725 N 0.31 0.20 -0.34 1.25 2.35 -0.61 -0.05 115.58 118.69 2r17 h ASN 725 Ca 0.29 -0.02 -0.17 0.00 -0.55 0.00 0.00 56.30 55.84 2r17 h ASN 725 Cb 0.39 -0.05 -0.00 0.00 0.05 0.00 0.00 38.32 38.71 2r17 h ASN 725 CO -0.34 0.27 -0.46 -0.09 -1.65 0.00 0.00 177.43 175.16 2r17 h ARG 726 N 0.22 0.92 0.26 0.81 9.65 -0.46 0.57 114.38 126.35 2r17 h ARG 726 Ca 0.05 -0.53 -0.01 0.00 -1.10 0.00 0.00 59.98 58.39 2r17 h ARG 726 Cb 0.20 0.04 -0.00 0.00 -1.39 0.00 0.00 29.97 28.82 2r17 h ARG 726 CO 0.01 1.18 -0.14 1.88 2.80 0.00 0.00 179.97 185.69 2r17 h TYR 727 N 0.73 -0.37 -0.73 2.20 -1.99 -0.11 -2.50 116.97 114.21 2r17 h TYR 727 Ca 0.04 -0.01 0.14 0.00 2.00 0.00 0.00 58.73 60.90 2r17 h TYR 727 Cb 1.06 0.13 -0.09 0.00 2.00 0.00 0.00 36.73 39.83 2r17 h TYR 727 CO 0.07 -0.23 0.26 0.82 -0.00 0.00 0.00 178.16 179.08 2r17 h ILE 728 N -0.38 0.64 -0.05 -2.88 2.04 -0.88 0.11 117.51 116.12 2r17 h ILE 728 Ca -0.03 -0.14 0.01 0.00 1.00 0.00 0.00 64.86 65.71 2r17 h ILE 728 Cb 0.30 0.21 -0.03 0.00 -0.74 0.00 0.00 36.82 36.56 2r17 h ILE 728 CO 0.04 0.07 -0.30 0.22 0.00 0.00 0.00 178.15 178.19 2r17 h TYR 729 N 0.40 -0.88 -0.16 1.37 3.20 -0.45 0.46 116.97 120.91 2r17 h TYR 729 Ca 0.40 0.03 0.02 0.00 3.14 0.00 0.00 58.73 62.32 2r17 h TYR 729 Cb 0.61 0.39 -0.01 0.00 1.54 0.00 0.00 36.73 39.26 2r17 h TYR 729 CO -0.19 -0.31 0.11 0.74 -1.64 0.00 0.00 178.16 176.88 2r17 h PHE 730 N -0.34 0.11 0.06 -3.82 -1.00 -1.12 -2.71 116.94 108.13 2r17 h PHE 730 Ca 0.01 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.79 2r17 h PHE 730 Cb 0.38 -0.04 0.00 0.00 3.61 0.00 0.00 35.95 39.90 2r17 h PHE 730 CO -0.50 0.07 -0.03 -0.92 -1.61 0.00 0.00 178.31 175.32 2r17 h TYR 731 N 0.12 -0.08 0.00 -0.55 3.20 0.58 -2.62 116.97 117.61 2r17 h TYR 731 Ca 0.07 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.94 2r17 h TYR 731 Cb 0.12 0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.42 2r17 h TYR 731 CO -0.00 0.04 0.00 0.39 -1.64 0.00 0.00 178.16 176.95 2r17 n GLU 732 N -5.08 0.74 -0.11 1.82 1.02 0.02 -5.08 120.64 113.97 2r17 n GLU 732 Ca -0.08 0.00 -0.25 0.00 -0.02 0.00 0.00 57.16 56.81 2r17 n GLU 732 Cb 0.10 -1.04 -0.11 0.00 -0.02 0.00 0.00 31.44 30.37 2r17 n GLU 732 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2r17 n LYS 733 N -0.54 0.61 0.00 3.49 4.76 -0.99 -5.10 118.16 120.38 2r17 n LYS 733 Ca 0.01 0.36 0.00 0.00 -2.87 0.00 0.00 58.31 55.82 2r17 n LYS 733 Cb 0.01 -1.61 0.00 0.00 -1.84 0.00 0.00 35.03 31.59 2r17 n LYS 733 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 2r17 n THR 739 N -4.12 0.00 0.00 -0.18 -2.24 -1.26 -5.05 114.28 101.43 2r17 n THR 739 Ca -0.43 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.35 2r17 n THR 739 Cb 0.84 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.07 2r17 n THR 739 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 2r17 n ILE 740 N -1.89 0.00 -0.03 2.28 5.41 -1.26 -4.82 119.36 119.05 2r17 n ILE 740 Ca 0.00 -0.09 -0.04 0.00 1.00 0.00 0.00 62.75 63.62 2r17 n ILE 740 Cb 0.00 0.74 -0.03 0.00 -0.71 0.00 0.00 39.64 39.64 2r17 n ILE 740 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2r17 n GLN 741 N -0.30 0.20 0.32 0.38 -0.00 -1.26 -4.51 117.38 112.22 2r17 n GLN 741 Ca 0.00 0.03 0.20 0.00 -0.00 0.00 0.00 57.00 57.23 2r17 n GLN 741 Cb 0.00 -1.12 1.05 0.00 -0.00 0.00 0.00 30.24 30.16 2r17 n GLN 741 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 2r17 h VAL 742 N 0.00 0.09 0.85 -0.39 2.07 -2.00 -0.39 116.25 116.48 2r17 h VAL 742 Ca -0.14 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.34 2r17 h VAL 742 Cb 1.21 0.89 0.01 0.00 -1.52 0.00 0.00 31.29 31.88 2r17 h VAL 742 CO -0.02 0.00 -0.41 0.25 0.02 0.00 0.00 177.57 177.41 2r17 h LEU 743 N 0.00 -0.97 -1.19 2.57 6.46 -1.89 -2.56 115.31 117.74 2r17 h LEU 743 Ca 0.01 0.03 0.16 0.00 -0.12 0.00 0.00 57.88 57.96 2r17 h LEU 743 Cb 0.25 0.25 -0.08 0.00 -0.73 0.00 0.00 40.66 40.34 2r17 h LEU 743 CO -0.00 -0.63 0.60 0.78 -0.62 0.00 0.00 178.44 178.57 2r17 h ASN 744 N -1.26 0.71 -0.08 1.25 2.35 -1.31 0.14 115.58 117.39 2r17 h ASN 744 Ca -0.12 0.06 -0.08 0.00 -0.55 0.00 0.00 56.30 55.61 2r17 h ASN 744 Cb 0.87 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 39.15 2r17 h ASN 744 CO 0.19 0.33 -0.17 -0.61 -1.65 0.00 0.00 177.43 175.52 2r17 h GLN 745 N 0.74 0.45 0.08 0.81 4.15 -1.46 -1.53 115.11 118.34 2r17 h GLN 745 Ca 0.50 -0.14 -0.00 0.00 0.77 0.00 0.00 58.65 59.77 2r17 h GLN 745 Cb 0.78 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.43 2r17 h GLN 745 CO -0.26 0.62 -0.04 1.25 -1.93 0.00 0.00 178.83 178.47 2r17 h LEU 746 N 0.41 -0.09 -0.30 -2.39 7.12 -0.31 -2.06 115.31 117.69 2r17 h LEU 746 Ca 0.07 -0.19 0.07 0.00 0.13 0.00 0.00 57.88 57.96 2r17 h LEU 746 Cb 0.55 0.02 -0.07 0.00 -0.53 0.00 0.00 40.66 40.63 2r17 h LEU 746 CO 0.04 0.14 -0.17 0.40 -0.13 0.00 0.00 178.44 178.71 2r17 h ILE 747 N -0.31 0.50 -0.39 4.05 2.04 -1.04 -1.40 117.51 120.96 2r17 h ILE 747 Ca -0.01 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.93 2r17 h ILE 747 Cb 0.27 0.50 -0.09 0.00 -0.74 0.00 0.00 36.82 36.76 2r17 h ILE 747 CO 0.02 0.00 -0.22 1.56 0.00 0.00 0.00 178.15 179.51 2r17 h GLN 748 N -0.14 -0.14 -0.70 2.37 1.08 -1.15 0.07 115.11 116.49 2r17 h GLN 748 Ca 0.16 0.01 0.15 0.00 -1.45 0.00 0.00 58.65 57.52 2r17 h GLN 748 Cb 0.38 0.03 -0.11 0.00 -0.05 0.00 0.00 27.48 27.73 2r17 h GLN 748 CO -0.39 -0.10 0.10 -0.22 -0.95 0.00 0.00 178.83 177.28 2r17 h LYS 749 N -0.15 0.19 -0.18 1.46 3.64 -0.55 -0.10 116.57 120.89 2r17 h LYS 749 Ca 0.19 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.58 2r17 h LYS 749 Cb 0.45 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.20 2r17 h LYS 749 CO -0.48 0.13 0.03 0.82 -2.27 0.00 0.00 179.45 177.68 2r17 h ILE 750 N 0.20 0.92 -0.63 2.00 1.08 -0.21 -1.32 117.51 119.55 2r17 h ILE 750 Ca 0.39 -0.03 0.15 0.00 -0.39 0.00 0.00 64.86 64.97 2r17 h ILE 750 Cb 0.66 0.81 -0.03 0.00 -3.07 0.00 0.00 36.82 35.18 2r17 h ILE 750 CO -0.54 0.02 0.43 0.03 -0.69 0.00 0.00 178.15 177.41 2r17 h ARG 751 N 0.10 0.18 0.00 2.37 3.08 0.15 0.27 114.38 120.53 2r17 h ARG 751 Ca 0.08 -0.01 -0.06 0.00 0.07 0.00 0.00 59.98 60.06 2r17 h ARG 751 Cb 0.08 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 2r17 h ARG 751 CO -0.11 0.12 -0.38 0.93 -1.07 0.00 0.00 179.97 179.46 2r17 h GLU 752 N 0.19 0.00 0.00 0.04 5.08 -0.70 -3.37 114.58 115.82 2r17 h GLU 752 Ca 0.30 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.60 2r17 h GLU 752 Cb 0.93 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.17 2r17 h GLU 752 CO -0.05 0.73 -0.29 -0.44 -1.00 0.00 0.00 179.01 177.96 2r17 h ASP 753 N -1.00 0.00 0.11 1.42 3.32 -1.14 -3.33 116.42 115.80 2r17 h ASP 753 Ca -0.09 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.95 2r17 h ASP 753 Cb 0.86 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.41 2r17 h ASP 753 CO -0.06 0.29 -0.05 0.25 -1.72 0.00 0.00 179.24 177.95 2r17 h LEU 754 N 0.00 -0.12 -1.49 1.55 5.85 -0.65 -3.31 115.31 117.14 2r17 h LEU 754 Ca -0.00 -0.25 0.23 0.00 0.84 0.00 0.00 57.88 58.70 2r17 h LEU 754 Cb 0.89 0.03 -0.07 0.00 0.37 0.00 0.00 40.66 41.88 2r17 h LEU 754 CO 0.04 0.19 0.63 -0.65 -0.34 0.00 0.00 178.44 178.30 2r17 h PRO 755 N -0.44 0.37 -2.80 5.25 0.11 -1.72 -3.33 132.00 129.45 2r17 h PRO 755 Ca -0.01 -0.02 -0.74 0.00 0.11 0.00 0.00 66.00 65.33 2r17 h PRO 755 Cb 0.36 -0.08 -0.32 0.00 0.11 0.00 0.00 31.00 31.06 2r17 h PRO 755 CO 0.02 0.25 0.33 0.27 -0.21 0.00 0.00 178.00 178.66 2r17 n ASN 756 N -4.53 5.49 -3.85 -2.05 0.23 -1.24 -4.99 115.26 104.31 2r17 n ASN 756 Ca 0.21 -3.38 -0.10 0.00 -0.53 0.00 0.00 54.58 50.78 2r17 n ASN 756 Cb 0.77 -1.10 -0.08 0.00 -2.08 0.00 0.00 39.78 37.29 2r17 n ASN 756 CO 0.00 0.00 0.00 -1.48 -0.93 0.00 0.00 177.26 174.85 2r17 s LEU 757 N -2.51 1.41 0.21 -4.53 0.05 -1.25 -5.07 118.68 106.99 2r17 s LEU 757 Ca 0.33 -0.45 -0.24 0.00 0.05 0.00 0.00 54.13 53.82 2r17 s LEU 757 Cb 0.06 0.96 -0.15 0.00 -2.05 0.00 0.00 46.19 45.01 2r17 s LEU 757 CO 0.05 -0.60 0.39 -1.84 -0.55 0.00 0.00 176.35 173.79 2r17 n GLU 758 N 0.48 0.00 -3.01 1.48 0.28 -1.26 -4.86 120.64 113.76 2r17 n GLU 758 Ca -0.18 0.00 -0.43 0.00 -0.16 0.00 0.00 57.16 56.39 2r17 n GLU 758 Cb 0.60 -0.89 -0.05 0.00 1.43 0.00 0.00 31.44 32.53 2r17 n GLU 758 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 2r17 s SER 759 N -0.89 6.25 0.25 -1.84 0.15 -1.26 -4.69 113.70 111.68 2r17 s SER 759 Ca 0.56 -0.79 -0.13 0.00 0.70 0.00 0.00 55.95 56.29 2r17 s SER 759 Cb -0.78 -2.36 -0.00 0.00 -1.71 0.00 0.00 66.02 61.17 2r17 s SER 759 CO 0.51 -1.09 0.50 -0.94 1.20 0.00 0.00 173.24 173.42 2r17 s SER 760 N 2.96 -0.08 0.19 5.45 1.04 -1.26 -5.03 113.70 116.96 2r17 s SER 760 Ca 0.21 -0.92 -0.21 0.00 0.48 0.00 0.00 55.95 55.51 2r17 s SER 760 Cb -0.17 0.61 0.12 0.00 0.10 0.00 0.00 66.02 66.68 2r17 s SER 760 CO 0.14 -1.17 1.59 -0.33 0.98 0.00 0.00 173.24 174.44 2r17 h GLU 761 N 2.22 -0.16 -0.14 4.02 4.39 -1.99 0.39 114.58 123.31 2r17 h GLU 761 Ca -0.25 0.01 0.03 0.00 0.34 0.00 0.00 59.36 59.48 2r17 h GLU 761 Cb 1.25 0.04 -0.05 0.00 -0.10 0.00 0.00 28.75 29.88 2r17 h GLU 761 CO 0.34 -0.10 -0.44 0.93 -1.16 0.00 0.00 179.01 178.58 2r17 h GLU 762 N -0.16 -0.43 -0.94 2.33 3.07 -1.97 0.28 114.58 116.76 2r17 h GLU 762 Ca 0.23 0.03 0.19 0.00 -0.50 0.00 0.00 59.36 59.30 2r17 h GLU 762 Cb 0.54 0.10 -0.08 0.00 -0.84 0.00 0.00 28.75 28.47 2r17 h GLU 762 CO -0.66 -0.29 0.60 1.79 -1.40 0.00 0.00 179.01 179.05 2r17 h THR 763 N -0.45 0.73 -0.60 1.13 1.35 -1.59 0.42 112.91 113.90 2r17 h THR 763 Ca 0.03 -0.20 -0.10 0.00 -0.55 0.00 0.00 66.41 65.59 2r17 h THR 763 Cb 0.54 0.08 -0.02 0.00 -1.73 0.00 0.00 68.15 67.02 2r17 h THR 763 CO -0.37 0.11 -0.01 -0.33 -0.25 0.00 0.00 175.52 174.66 2r17 h GLU 764 N 0.59 1.07 -0.23 4.72 5.08 0.39 -0.41 114.58 125.79 2r17 h GLU 764 Ca 0.50 -0.34 -0.17 0.00 -1.00 0.00 0.00 59.36 58.35 2r17 h GLU 764 Cb 0.98 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.14 2r17 h GLU 764 CO -0.24 1.05 -0.51 1.96 -1.00 0.00 0.00 179.01 180.26 2r17 h GLN 765 N 0.97 0.75 -0.52 2.33 4.20 0.12 -1.54 115.11 121.41 2r17 h GLN 765 Ca 0.17 -0.50 0.02 0.00 0.06 0.00 0.00 58.65 58.39 2r17 h GLN 765 Cb 0.57 0.07 -0.03 0.00 0.30 0.00 0.00 27.48 28.40 2r17 h GLN 765 CO 0.03 1.13 0.35 0.82 -0.67 0.00 0.00 178.83 180.49 2r17 h ILE 766 N 0.48 1.10 -0.21 2.54 2.04 -0.10 0.12 117.51 123.47 2r17 h ILE 766 Ca 0.00 -0.23 -0.10 0.00 1.00 0.00 0.00 64.86 65.54 2r17 h ILE 766 Cb 1.12 0.38 -0.00 0.00 -0.74 0.00 0.00 36.82 37.58 2r17 h ILE 766 CO 0.11 0.12 -0.24 0.78 0.00 0.00 0.00 178.15 178.92 2r17 h ASN 767 N 0.66 0.58 -0.99 1.72 2.35 -0.86 -2.50 115.58 116.54 2r17 h ASN 767 Ca 0.20 -0.49 0.02 0.00 -0.55 0.00 0.00 56.30 55.48 2r17 h ASN 767 Cb -0.00 -0.16 -0.05 0.00 0.05 0.00 0.00 38.32 38.15 2r17 h ASN 767 CO -0.05 0.95 0.65 0.50 -1.65 0.00 0.00 177.43 177.84 2r17 h LYS 768 N 0.21 1.28 -0.13 0.81 1.63 -0.40 0.15 116.57 120.12 2r17 h LYS 768 Ca 0.03 -0.08 0.02 0.00 -0.85 0.00 0.00 60.65 59.78 2r17 h LYS 768 Cb 0.80 -0.29 -0.02 0.00 -0.60 0.00 0.00 32.23 32.12 2r17 h LYS 768 CO 0.06 0.85 -0.02 1.25 -3.45 0.00 0.00 179.45 178.13 2r17 h HIS 769 N 1.32 -0.05 -0.46 1.91 2.76 -0.70 0.68 115.15 120.61 2r17 h HIS 769 Ca 0.37 0.01 -0.06 0.00 -2.20 0.00 0.00 60.37 58.49 2r17 h HIS 769 Cb -0.11 0.04 -0.02 0.00 1.55 0.00 0.00 27.41 28.87 2r17 h HIS 769 CO -0.00 -0.04 0.05 0.35 -1.30 0.00 0.00 177.93 176.98 2r17 h PHE 770 N 0.01 0.75 -0.06 5.26 3.57 -0.89 -1.60 116.94 123.99 2r17 h PHE 770 Ca 0.06 -0.08 -0.00 0.00 3.53 0.00 0.00 57.97 61.47 2r17 h PHE 770 Cb 0.09 -0.22 -0.00 0.00 2.79 0.00 0.00 35.95 38.61 2r17 h PHE 770 CO -0.16 0.68 0.02 1.25 -2.23 0.00 0.00 178.31 177.87 2r17 h HIS 771 N 0.69 0.09 -0.87 0.41 2.76 -0.08 -1.04 115.15 117.11 2r17 h HIS 771 Ca 0.15 -0.01 0.04 0.00 -2.20 0.00 0.00 60.37 58.35 2r17 h HIS 771 Cb 0.36 -0.03 -0.05 0.00 1.55 0.00 0.00 27.41 29.24 2r17 h HIS 771 CO 0.02 0.23 0.57 -0.91 -1.30 0.00 0.00 177.93 176.53 2r17 h ASN 772 N -0.08 0.91 -0.55 3.26 2.35 -0.66 0.28 115.58 121.09 2r17 h ASN 772 Ca 0.02 -0.01 -0.08 0.00 -0.55 0.00 0.00 56.30 55.69 2r17 h ASN 772 Cb 0.18 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.32 2r17 h ASN 772 CO -0.00 0.61 0.06 0.74 -1.65 0.00 0.00 177.43 177.19 2r17 h THR 773 N 1.05 1.25 -0.21 2.81 2.02 -0.96 -0.63 112.91 118.25 2r17 h THR 773 Ca 0.36 -1.03 -0.15 0.00 0.77 0.00 0.00 66.41 66.36 2r17 h THR 773 Cb 0.08 0.74 0.00 0.00 -1.74 0.00 0.00 68.15 67.23 2r17 h THR 773 CO -0.11 0.38 -0.45 -0.07 0.37 0.00 0.00 175.52 175.64 2r17 h LEU 774 N 0.91 0.75 -0.02 2.58 4.07 -0.09 -2.77 115.31 120.74 2r17 h LEU 774 Ca 0.18 -0.55 0.02 0.00 0.08 0.00 0.00 57.88 57.60 2r17 h LEU 774 Cb 0.45 -0.22 -0.02 0.00 1.08 0.00 0.00 40.66 41.96 2r17 h LEU 774 CO 0.02 1.17 -0.07 -0.33 -1.08 0.00 0.00 178.44 178.15 2r17 h GLU 775 N 0.37 -0.10 -0.99 1.13 4.39 -0.34 -2.27 114.58 116.78 2r17 h GLU 775 Ca 0.00 0.01 0.23 0.00 0.34 0.00 0.00 59.36 59.94 2r17 h GLU 775 Cb 1.05 0.02 -0.09 0.00 -0.10 0.00 0.00 28.75 29.64 2r17 h GLU 775 CO 0.10 -0.07 0.64 1.25 -1.16 0.00 0.00 179.01 179.77 2r17 h HIS 776 N -0.11 0.69 0.00 4.33 2.76 -1.06 0.18 115.15 121.94 2r17 h HIS 776 Ca 0.04 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.23 2r17 h HIS 776 Cb 0.15 -0.20 0.00 0.00 1.55 0.00 0.00 27.41 28.91 2r17 h HIS 776 CO -0.15 0.12 0.00 1.28 -1.30 0.00 0.00 177.93 177.88 2r17 n LEU 777 N -4.61 0.00 -4.44 0.26 4.77 -0.85 -4.59 117.00 107.54 2r17 n LEU 777 Ca 0.23 0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.87 2r17 n LEU 777 Cb 0.77 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.73 2r17 n LEU 777 CO 0.27 0.00 -0.37 -0.13 -1.33 0.00 0.00 177.39 175.82 2r17 s ARG 778 N -2.00 3.57 -0.49 3.23 0.52 0.64 -4.99 118.95 119.43 2r17 s ARG 778 Ca 0.09 -0.56 0.04 0.00 -0.52 0.00 0.00 55.73 54.78 2r17 s ARG 778 Cb 0.04 -2.89 0.41 0.00 0.52 0.00 0.00 34.95 33.03 2r17 s ARG 778 CO 0.07 0.15 1.29 1.28 0.02 0.00 0.00 175.30 178.11 2r17 n LEU 779 N 3.79 5.27 -0.80 2.53 4.32 -1.26 -5.04 117.00 125.80 2r17 n LEU 779 Ca -0.18 -5.08 0.10 0.00 -0.02 0.00 0.00 56.01 50.84 2r17 n LEU 779 Cb 0.52 -0.56 0.08 0.00 -1.62 0.00 0.00 43.42 41.85 2r17 n LEU 779 CO 0.32 2.13 0.57 0.54 -1.22 0.00 0.00 177.39 179.72