#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2r17 n PHE 484 N 0.00 0.00 -1.24 -0.67 3.72 -1.26 -0.86 117.46 117.15 2r17 n PHE 484 Ca 0.00 0.00 0.07 0.00 -0.05 0.00 0.00 57.45 57.47 2r17 n PHE 484 Cb 0.00 -0.30 0.10 0.00 -0.94 0.00 0.00 39.48 38.34 2r17 n PHE 484 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2r17 n ALA 485 N -1.30 2.16 1.52 4.37 0.00 -1.26 -4.46 120.51 121.54 2r17 n ALA 485 Ca 0.02 -2.11 0.15 0.00 0.00 0.00 0.00 53.44 51.50 2r17 n ALA 485 Cb 0.03 -0.38 0.78 0.00 0.00 0.00 0.00 19.45 19.88 2r17 n ALA 485 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2r17 n ASP 486 N -1.01 0.00 -0.95 0.00 5.68 -0.04 -3.08 116.55 117.14 2r17 n ASP 486 Ca 0.11 -0.34 0.12 0.00 -0.50 0.00 0.00 54.79 54.18 2r17 n ASP 486 Cb 0.63 -0.21 0.21 0.00 -1.14 0.00 0.00 41.12 40.61 2r17 n ASP 486 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 2r17 n GLU 487 N -1.21 2.28 0.40 0.11 1.02 -1.26 -4.53 120.64 117.44 2r17 n GLU 487 Ca 0.16 -1.90 -0.16 0.00 -0.02 0.00 0.00 57.16 55.24 2r17 n GLU 487 Cb 0.20 -1.48 -0.08 0.00 -0.02 0.00 0.00 31.44 30.07 2r17 n GLU 487 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 2r17 h GLN 488 N 4.15 -1.00 -1.01 3.49 4.20 -1.87 0.16 115.11 123.23 2r17 h GLN 488 Ca 0.00 0.07 0.24 0.00 0.06 0.00 0.00 58.65 59.02 2r17 h GLN 488 Cb 0.90 0.23 -0.10 0.00 0.30 0.00 0.00 27.48 28.81 2r17 h GLN 488 CO 0.00 -0.66 0.64 1.03 -0.67 0.00 0.00 178.83 179.17 2r17 h SER 489 N -1.26 0.54 0.20 1.46 0.87 -1.83 0.85 113.55 114.38 2r17 h SER 489 Ca -0.11 0.09 -0.00 0.00 -1.23 0.00 0.00 61.79 60.54 2r17 h SER 489 Cb 0.80 -0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.75 2r17 h SER 489 CO 0.17 0.13 -0.14 0.25 -0.53 0.00 0.00 176.83 176.72 2r17 h LEU 490 N 0.49 -0.35 -1.71 2.23 6.46 -1.73 -2.47 115.31 118.23 2r17 h LEU 490 Ca 0.58 0.03 -0.02 0.00 -0.12 0.00 0.00 57.88 58.35 2r17 h LEU 490 Cb 1.31 0.11 -0.01 0.00 -0.73 0.00 0.00 40.66 41.34 2r17 h LEU 490 CO -0.32 -0.22 -0.05 0.58 -0.62 0.00 0.00 178.44 177.81 2r17 h VAL 491 N -0.34 1.09 0.05 1.05 2.07 0.12 -2.85 116.25 117.45 2r17 h VAL 491 Ca -0.01 -0.38 0.02 0.00 0.82 0.00 0.00 66.70 67.14 2r17 h VAL 491 Cb 0.29 1.09 -0.04 0.00 -1.52 0.00 0.00 31.29 31.11 2r17 h VAL 491 CO 0.01 0.12 -0.23 1.23 0.02 0.00 0.00 177.57 178.71 2r17 h GLY 492 N 0.40 -0.39 0.86 2.17 0.00 -0.63 0.33 103.07 105.81 2r17 h GLY 492 Ca 0.03 0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.64 2r17 h GLY 492 CO 0.01 -0.20 -0.14 3.21 0.00 0.00 0.00 176.54 179.41 2r17 h ARG 493 N -0.40 -0.32 -0.28 4.80 3.08 -1.42 -0.32 114.38 119.53 2r17 h ARG 493 Ca 0.05 0.02 0.04 0.00 0.07 0.00 0.00 59.98 60.15 2r17 h ARG 493 Cb 0.45 0.07 -0.07 0.00 0.08 0.00 0.00 29.97 30.51 2r17 h ARG 493 CO -0.17 -0.21 -0.47 0.35 -1.07 0.00 0.00 179.97 178.39 2r17 h PHE 494 N -0.33 -1.44 -0.96 3.04 3.57 -1.23 0.13 116.94 119.71 2r17 h PHE 494 Ca -0.01 0.07 0.14 0.00 3.53 0.00 0.00 57.97 61.70 2r17 h PHE 494 Cb 0.30 0.67 -0.09 0.00 2.79 0.00 0.00 35.95 39.62 2r17 h PHE 494 CO -0.12 -0.44 0.58 0.82 -2.23 0.00 0.00 178.31 176.93 2r17 h ILE 495 N -0.39 0.82 0.91 1.41 1.08 -0.19 0.15 117.51 121.30 2r17 h ILE 495 Ca 0.05 -0.29 -0.04 0.00 -0.39 0.00 0.00 64.86 64.19 2r17 h ILE 495 Cb 0.53 -0.10 0.01 0.00 -3.07 0.00 0.00 36.82 34.19 2r17 h ILE 495 CO -0.47 0.16 -0.44 -0.74 -0.69 0.00 0.00 178.15 175.97 2r17 h HIS 496 N 0.85 -1.13 0.00 1.37 2.76 0.48 -3.05 115.15 116.43 2r17 h HIS 496 Ca 0.51 -0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 58.63 2r17 h HIS 496 Cb 0.63 0.37 -0.00 0.00 1.55 0.00 0.00 27.41 29.96 2r17 h HIS 496 CO -0.02 -0.70 -0.11 -0.07 -1.30 0.00 0.00 177.93 175.73 2r17 h LEU 497 N -1.24 0.00 -0.61 0.26 3.38 -0.46 -2.74 115.31 113.90 2r17 h LEU 497 Ca -0.12 0.00 0.07 0.00 0.09 0.00 0.00 57.88 57.91 2r17 h LEU 497 Cb 0.93 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.63 2r17 h LEU 497 CO 0.20 0.11 0.31 0.25 0.09 0.00 0.00 178.44 179.40 2r17 h LEU 498 N 0.00 0.42 0.00 1.67 6.46 -0.60 -1.78 115.31 121.48 2r17 h LEU 498 Ca -0.00 0.04 0.00 0.00 -0.12 0.00 0.00 57.88 57.80 2r17 h LEU 498 Cb 0.28 -0.03 0.00 0.00 -0.73 0.00 0.00 40.66 40.17 2r17 h LEU 498 CO 0.01 0.27 0.00 0.54 -0.62 0.00 0.00 178.44 178.64 2r17 n ARG 499 N -4.87 0.01 -0.06 1.25 1.74 -1.03 -2.10 116.66 111.60 2r17 n ARG 499 Ca 0.08 0.36 -0.12 0.00 -0.77 0.00 0.00 57.85 57.40 2r17 n ARG 499 Cb 0.19 -1.50 -0.14 0.00 -1.02 0.00 0.00 32.46 29.99 2r17 n ARG 499 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 2r17 n SER 500 N -1.38 0.91 -4.68 0.55 7.64 -0.67 -4.92 113.62 111.07 2r17 n SER 500 Ca 0.00 0.17 -0.31 0.00 1.01 0.00 0.00 58.87 59.75 2r17 n SER 500 Cb 0.01 0.14 0.16 0.00 -1.01 0.00 0.00 64.21 63.51 2r17 n SER 500 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 2r17 s GLU 501 N -2.54 1.08 0.55 1.43 0.41 -0.89 -4.95 118.70 113.78 2r17 s GLU 501 Ca -0.13 1.43 -0.19 0.00 -0.41 0.00 0.00 54.97 55.67 2r17 s GLU 501 Cb 0.07 -1.74 -0.06 0.00 -1.78 0.00 0.00 34.13 30.62 2r17 s GLU 501 CO 0.79 -2.55 1.09 0.16 -0.49 0.00 0.00 175.26 174.26 2r17 s ASP 502 N -2.79 5.82 0.19 -0.19 -4.77 -1.26 -4.82 116.67 108.85 2r17 s ASP 502 Ca 0.66 2.04 -0.23 0.00 -3.30 0.00 0.00 52.55 51.72 2r17 s ASP 502 Cb -0.22 -2.57 0.09 0.00 -1.09 0.00 0.00 42.92 39.14 2r17 s ASP 502 CO 0.58 -1.14 1.57 -0.65 0.70 0.00 0.00 175.17 176.22 2r17 h PRO 503 N 1.05 -0.14 0.00 2.11 0.11 -1.94 -0.88 132.00 132.31 2r17 h PRO 503 Ca -0.49 0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 2r17 h PRO 503 Cb 1.24 0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.38 2r17 h PRO 503 CO 0.57 -0.09 -0.05 0.22 -0.21 0.00 0.00 178.00 178.44 2r17 h ASP 504 N -0.14 0.00 0.12 -2.05 1.82 -2.01 -2.30 116.42 111.86 2r17 h ASP 504 Ca 0.23 0.00 -0.26 0.00 -0.39 0.00 0.00 57.03 56.61 2r17 h ASP 504 Cb 0.56 0.00 0.02 0.00 0.68 0.00 0.00 39.33 40.58 2r17 h ASP 504 CO -0.78 0.05 -1.02 -0.61 -1.61 0.00 0.00 179.24 175.27 2r17 h GLN 505 N 0.00 0.61 -0.36 0.28 5.75 -1.55 -3.36 115.11 116.47 2r17 h GLN 505 Ca -0.00 -0.66 0.01 0.00 -0.15 0.00 0.00 58.65 57.85 2r17 h GLN 505 Cb 0.20 0.19 -0.02 0.00 1.07 0.00 0.00 27.48 28.91 2r17 h GLN 505 CO 0.01 1.26 0.22 1.96 -2.65 0.00 0.00 178.83 179.63 2r17 h GLN 506 N 0.34 0.44 -0.95 1.69 4.20 -0.79 -2.53 115.11 117.50 2r17 h GLN 506 Ca -0.12 -0.03 0.13 0.00 0.06 0.00 0.00 58.65 58.70 2r17 h GLN 506 Cb 1.67 -0.10 -0.09 0.00 0.30 0.00 0.00 27.48 29.26 2r17 h GLN 506 CO 0.19 0.29 0.57 -0.92 -0.67 0.00 0.00 178.83 178.29 2r17 h TYR 507 N 0.45 1.03 -0.20 2.96 3.20 -1.71 0.66 116.97 123.37 2r17 h TYR 507 Ca 0.14 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.99 2r17 h TYR 507 Cb -0.02 -0.32 -0.01 0.00 1.54 0.00 0.00 36.73 37.93 2r17 h TYR 507 CO -0.07 0.36 -0.08 1.25 -1.64 0.00 0.00 178.16 177.99 2r17 h LEU 508 N 0.87 0.41 -0.84 2.82 5.85 -1.70 -1.06 115.31 121.66 2r17 h LEU 508 Ca 0.49 -0.40 -0.09 0.00 0.84 0.00 0.00 57.88 58.72 2r17 h LEU 508 Cb 0.55 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.45 2r17 h LEU 508 CO -0.29 0.72 -0.09 0.40 -0.34 0.00 0.00 178.44 178.84 2r17 h ILE 509 N 0.10 1.25 -0.25 4.05 2.04 -0.88 -2.03 117.51 121.79 2r17 h ILE 509 Ca 0.05 -1.13 -0.09 0.00 1.00 0.00 0.00 64.86 64.68 2r17 h ILE 509 Cb 0.56 1.01 -0.01 0.00 -0.74 0.00 0.00 36.82 37.64 2r17 h ILE 509 CO 0.03 0.39 -0.24 -0.07 0.00 0.00 0.00 178.15 178.26 2r17 h LEU 510 N 0.70 0.47 -0.28 1.44 3.38 0.38 -1.01 115.31 120.40 2r17 h LEU 510 Ca 0.12 -0.15 -0.19 0.00 0.09 0.00 0.00 57.88 57.75 2r17 h LEU 510 Cb 0.56 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.18 2r17 h LEU 510 CO 0.03 0.71 -0.59 -1.13 0.09 0.00 0.00 178.44 177.55 2r17 h ASN 511 N 0.42 0.96 0.54 -0.43 -0.00 -0.82 -1.84 115.58 114.41 2r17 h ASN 511 Ca 0.06 -0.54 -0.14 0.00 -0.00 0.00 0.00 56.30 55.69 2r17 h ASN 511 Cb 0.64 -0.28 -0.02 0.00 -0.00 0.00 0.00 38.32 38.67 2r17 h ASN 511 CO 0.05 1.34 -0.62 0.71 -0.00 0.00 0.00 177.43 178.90 2r17 h THR 512 N 0.64 1.43 -0.32 -3.57 1.35 -1.22 -0.57 112.91 110.65 2r17 h THR 512 Ca 0.00 -2.09 -0.07 0.00 -0.55 0.00 0.00 66.41 63.70 2r17 h THR 512 Cb 1.20 2.11 -0.02 0.00 -1.73 0.00 0.00 68.15 69.72 2r17 h THR 512 CO 0.13 0.61 -0.09 0.00 -0.25 0.00 0.00 175.52 175.92 2r17 h ALA 513 N 1.31 1.25 0.53 6.62 0.00 -1.10 0.22 119.26 128.09 2r17 h ALA 513 Ca -0.01 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.62 2r17 h ALA 513 Cb 1.11 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 18.76 2r17 h ALA 513 CO 0.09 0.49 -0.25 -0.09 0.00 0.00 0.00 179.25 179.49 2r17 h ARG 514 N 0.50 -0.68 -0.74 0.00 2.43 -0.76 -0.64 114.38 114.49 2r17 h ARG 514 Ca 0.10 0.05 0.14 0.00 -0.81 0.00 0.00 59.98 59.45 2r17 h ARG 514 Cb 0.46 0.15 -0.09 0.00 -0.42 0.00 0.00 29.97 30.07 2r17 h ARG 514 CO 0.02 -0.38 0.29 0.87 -1.51 0.00 0.00 179.97 179.26 2r17 h LYS 515 N -1.04 0.42 0.42 0.20 1.57 -0.96 2.02 116.57 119.20 2r17 h LYS 515 Ca -0.07 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.67 2r17 h LYS 515 Cb 0.62 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.83 2r17 h LYS 515 CO 0.12 0.28 -0.26 1.25 -0.57 0.00 0.00 179.45 180.27 2r17 h HIS 516 N 0.43 -0.69 0.00 -1.35 2.76 -0.48 -2.15 115.15 113.68 2r17 h HIS 516 Ca 0.40 -0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 58.57 2r17 h HIS 516 Cb 0.60 0.24 -0.00 0.00 1.55 0.00 0.00 27.41 29.81 2r17 h HIS 516 CO -0.17 -0.40 -0.00 0.74 -1.30 0.00 0.00 177.93 176.79 2r17 h PHE 517 N -0.65 0.00 -0.46 5.26 0.04 -0.45 -3.07 116.94 117.60 2r17 h PHE 517 Ca -0.05 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.69 2r17 h PHE 517 Cb 0.54 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.67 2r17 h PHE 517 CO -0.10 0.00 0.13 0.78 -0.60 0.00 0.00 178.31 178.53 2r17 h GLY 518 N 2.65 0.74 -0.08 -1.45 0.00 0.39 0.46 103.07 105.76 2r17 h GLY 518 Ca -0.00 -0.39 0.00 0.00 0.00 0.00 0.00 47.33 46.94 2r17 h GLY 518 CO 0.00 0.37 0.00 0.00 0.00 0.00 0.00 176.54 176.91 2r17 n ALA 519 N -2.47 2.56 -0.03 3.60 0.00 -0.96 -4.01 120.51 119.19 2r17 n ALA 519 Ca 0.03 -0.28 -0.04 0.00 0.00 0.00 0.00 53.44 53.16 2r17 n ALA 519 Cb 0.19 -1.18 0.18 0.00 0.00 0.00 0.00 19.45 18.65 2r17 n ALA 519 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2r17 h GLY 520 N 5.33 0.66 0.00 0.00 0.00 -0.99 -3.49 103.07 104.58 2r17 h GLY 520 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 47.33 46.83 2r17 h GLY 520 CO 0.00 0.46 0.00 0.61 0.00 0.00 0.00 176.54 177.61 2r17 n GLY 521 N -0.46 0.56 0.00 4.60 0.00 -1.26 -4.79 105.19 103.84 2r17 n GLY 521 Ca 0.01 -1.46 0.00 0.00 0.00 0.00 0.00 46.02 44.56 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 3.46 -0.10 1.61 4.13 -1.26 -4.42 115.26 118.68 2r17 n ASN 522 Ca 0.00 0.00 0.14 0.00 1.68 0.00 0.00 54.58 56.40 2r17 n ASN 522 Cb 0.00 0.36 0.52 0.00 -1.54 0.00 0.00 39.78 39.12 2r17 n ASN 522 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2r17 n GLN 523 N -1.52 0.50 -0.13 3.52 6.02 -1.26 -4.05 117.38 120.45 2r17 n GLN 523 Ca 0.00 -0.20 -0.23 0.00 -0.01 0.00 0.00 57.00 56.56 2r17 n GLN 523 Cb 0.33 -1.50 -0.11 0.00 1.02 0.00 0.00 30.24 29.99 2r17 n GLN 523 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2r17 n ARG 524 N -1.08 0.61 0.14 -1.09 1.74 -1.26 -4.46 116.66 111.27 2r17 n ARG 524 Ca 0.12 0.20 0.07 0.00 -0.77 0.00 0.00 57.85 57.46 2r17 n ARG 524 Cb 0.31 -1.50 0.37 0.00 -1.02 0.00 0.00 32.46 30.62 2r17 n ARG 524 CO 0.00 0.00 0.00 0.44 -1.52 0.00 0.00 177.63 176.55 2r17 n ILE 525 N -3.71 0.86 -0.05 0.55 -5.35 -1.26 -1.49 119.36 108.91 2r17 n ILE 525 Ca -0.50 0.71 -0.04 0.00 -0.27 0.00 0.00 62.75 62.65 2r17 n ILE 525 Cb 0.94 -1.71 0.18 0.00 -1.74 0.00 0.00 39.64 37.31 2r17 n ILE 525 CO 0.00 0.00 0.00 0.03 -1.76 0.00 0.00 176.55 174.82 2r17 h ARG 526 N 0.00 0.66 0.00 6.28 3.08 -1.78 -0.64 114.38 121.98 2r17 h ARG 526 Ca 0.00 -0.20 -0.29 0.00 0.07 0.00 0.00 59.98 59.55 2r17 h ARG 526 Cb 0.38 -0.06 -0.06 0.00 0.08 0.00 0.00 29.97 30.31 2r17 h ARG 526 CO 0.00 0.75 -2.29 1.19 -1.07 0.00 0.00 179.97 178.55 2r17 n PHE 527 N -4.18 0.00 -0.01 3.04 3.01 -0.55 -4.50 117.46 114.27 2r17 n PHE 527 Ca 0.01 0.00 -0.17 0.00 1.01 0.00 0.00 57.45 58.30 2r17 n PHE 527 Cb 0.34 -0.89 -0.14 0.00 -0.01 0.00 0.00 39.48 38.79 2r17 n PHE 527 CO 0.00 0.00 0.00 1.15 1.01 0.00 0.00 176.76 178.92 2r17 h THR 528 N 0.00 1.66 -0.02 4.37 2.02 -1.44 -3.39 112.91 116.11 2r17 h THR 528 Ca -0.44 -2.44 -0.15 0.00 0.77 0.00 0.00 66.41 64.15 2r17 h THR 528 Cb 1.99 3.30 -0.02 0.00 -1.74 0.00 0.00 68.15 71.69 2r17 h THR 528 CO 0.02 0.66 -0.67 -0.07 0.37 0.00 0.00 175.52 175.84 2r17 h LEU 529 N -0.68 0.10 -0.30 2.58 3.38 -1.37 -3.35 115.31 115.67 2r17 h LEU 529 Ca -0.07 -0.07 0.06 0.00 0.09 0.00 0.00 57.88 57.90 2r17 h LEU 529 Cb 1.32 -0.03 -0.06 0.00 0.09 0.00 0.00 40.66 41.98 2r17 h LEU 529 CO 0.08 0.74 -0.09 -0.65 0.09 0.00 0.00 178.44 178.60 2r17 h PRO 530 N 0.06 -0.02 -0.88 1.13 0.11 -1.76 -1.23 132.00 129.40 2r17 h PRO 530 Ca -0.01 0.00 0.14 0.00 0.11 0.00 0.00 66.00 66.25 2r17 h PRO 530 Cb 1.19 0.01 -0.07 0.00 0.11 0.00 0.00 31.00 32.24 2r17 h PRO 530 CO 0.09 -0.02 0.57 -1.35 -0.21 0.00 0.00 178.00 177.09 2r17 h PRO 531 N -0.03 0.65 -0.14 1.05 0.11 -1.80 0.51 132.00 132.36 2r17 h PRO 531 Ca 0.15 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 66.18 2r17 h PRO 531 Cb 0.25 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.21 2r17 h PRO 531 CO -0.33 0.43 -0.08 -0.07 -0.21 0.00 0.00 178.00 177.74 2r17 h LEU 532 N 0.67 0.19 -0.17 2.35 3.38 -1.41 0.17 115.31 120.50 2r17 h LEU 532 Ca 0.44 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.35 2r17 h LEU 532 Cb 0.74 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 2r17 h LEU 532 CO -0.20 0.31 -0.02 0.58 0.09 0.00 0.00 178.44 179.20 2r17 h VAL 533 N 0.20 1.27 0.00 1.22 2.07 0.66 -1.21 116.25 120.46 2r17 h VAL 533 Ca 0.04 -0.93 -0.07 0.00 0.82 0.00 0.00 66.70 66.57 2r17 h VAL 533 Cb 0.28 1.55 -0.01 0.00 -1.52 0.00 0.00 31.29 31.59 2r17 h VAL 533 CO 0.01 0.28 -0.32 -0.26 0.02 0.00 0.00 177.57 177.30 2r17 h PHE 534 N 0.04 0.00 0.40 1.57 -1.00 -0.88 -2.44 116.94 114.62 2r17 h PHE 534 Ca 0.05 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.82 2r17 h PHE 534 Cb 0.43 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.97 2r17 h PHE 534 CO 0.04 0.32 -0.38 0.00 -1.61 0.00 0.00 178.31 176.68 2r17 h ALA 535 N 1.68 -0.84 -0.62 2.45 0.00 -0.13 -0.98 119.26 120.83 2r17 h ALA 535 Ca -0.00 -0.14 0.12 0.00 0.00 0.00 0.00 54.91 54.90 2r17 h ALA 535 Cb 0.58 0.54 -0.12 0.00 0.00 0.00 0.00 17.79 18.80 2r17 h ALA 535 CO 0.04 -1.01 -0.16 0.00 0.00 0.00 0.00 179.25 178.13 2r17 h ALA 536 N -0.39 0.40 0.48 0.00 0.00 -0.80 0.74 119.26 119.70 2r17 h ALA 536 Ca -0.03 0.24 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 2r17 h ALA 536 Cb 0.71 0.48 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 2r17 h ALA 536 CO -0.06 -0.43 -0.45 1.88 0.00 0.00 0.00 179.25 180.19 2r17 h TYR 537 N -0.00 -1.23 -0.80 0.00 0.05 -1.00 0.51 116.97 114.49 2r17 h TYR 537 Ca 0.30 0.01 0.11 0.00 0.05 0.00 0.00 58.73 59.19 2r17 h TYR 537 Cb 0.46 0.47 -0.06 0.00 1.01 0.00 0.00 36.73 38.61 2r17 h TYR 537 CO -0.51 -0.62 0.52 1.96 -1.05 0.00 0.00 178.16 178.46 2r17 h GLN 538 N -0.94 0.66 0.00 4.88 4.20 -0.48 0.18 115.11 123.61 2r17 h GLN 538 Ca -0.05 -0.04 -0.07 0.00 0.06 0.00 0.00 58.65 58.55 2r17 h GLN 538 Cb 0.81 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.43 2r17 h GLN 538 CO -0.04 0.44 -0.34 1.25 -0.67 0.00 0.00 178.83 179.47 2r17 h LEU 539 N 0.68 0.00 -0.92 1.46 5.85 -0.33 -1.95 115.31 120.10 2r17 h LEU 539 Ca 0.38 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 59.01 2r17 h LEU 539 Cb 0.54 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.55 2r17 h LEU 539 CO -0.15 0.34 -0.19 0.00 -0.34 0.00 0.00 178.44 178.10 2r17 h ALA 540 N 1.66 1.09 -0.03 1.25 0.00 0.16 -1.56 119.26 121.83 2r17 h ALA 540 Ca -0.00 -0.32 -0.20 0.00 0.00 0.00 0.00 54.91 54.38 2r17 h ALA 540 Cb 0.73 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 2r17 h ALA 540 CO 0.04 0.56 -0.85 0.74 0.00 0.00 0.00 179.25 179.75 2r17 h PHE 541 N 0.51 0.53 -0.61 0.00 -1.00 -1.18 -3.09 116.94 112.09 2r17 h PHE 541 Ca 0.08 -0.27 -0.04 0.00 2.81 0.00 0.00 57.97 60.56 2r17 h PHE 541 Cb 0.62 -0.07 -0.03 0.00 3.61 0.00 0.00 35.95 40.08 2r17 h PHE 541 CO 0.02 1.06 0.22 -0.09 -1.61 0.00 0.00 178.31 177.91 2r17 h ARG 542 N 0.22 0.91 -0.44 1.51 9.65 -0.95 -0.31 114.38 124.96 2r17 h ARG 542 Ca -0.05 -0.16 -0.02 0.00 -1.10 0.00 0.00 59.98 58.64 2r17 h ARG 542 Cb 1.46 -0.15 -0.02 0.00 -1.39 0.00 0.00 29.97 29.86 2r17 h ARG 542 CO 0.14 0.76 0.18 1.88 2.80 0.00 0.00 179.97 185.74 2r17 h TYR 543 N 0.89 0.63 0.10 2.20 0.05 -1.22 -2.72 116.97 116.90 2r17 h TYR 543 Ca 0.21 -0.02 -0.26 0.00 0.05 0.00 0.00 58.73 58.70 2r17 h TYR 543 Cb 0.21 -0.20 0.03 0.00 1.01 0.00 0.00 36.73 37.78 2r17 h TYR 543 CO 0.01 0.49 -1.08 -0.22 -1.05 0.00 0.00 178.16 176.32 2r17 h LYS 544 N 0.63 0.56 0.00 4.88 3.64 -1.31 -3.05 116.57 121.92 2r17 h LYS 544 Ca 0.15 -0.73 0.00 0.00 -1.27 0.00 0.00 60.65 58.80 2r17 h LYS 544 Cb 0.13 0.24 0.00 0.00 -0.41 0.00 0.00 32.23 32.18 2r17 h LYS 544 CO -0.02 1.32 0.00 -1.91 -2.27 0.00 0.00 179.45 176.57 2r17 n GLU 545 N -3.91 0.05 -1.38 1.90 2.13 -0.21 0.44 120.64 119.67 2r17 n GLU 545 Ca -0.13 0.25 -0.21 0.00 0.66 0.00 0.00 57.16 57.73 2r17 n GLU 545 Cb 0.91 -1.50 0.11 0.00 0.27 0.00 0.00 31.44 31.23 2r17 n GLU 545 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 2r17 n ASN 546 N -1.29 4.88 -0.01 4.31 4.13 -1.05 -4.84 115.26 121.40 2r17 n ASN 546 Ca 0.02 -3.77 0.09 0.00 1.68 0.00 0.00 54.58 52.60 2r17 n ASN 546 Cb 0.03 -0.66 0.52 0.00 -1.54 0.00 0.00 39.78 38.13 2r17 n ASN 546 CO 0.00 0.00 0.00 -0.24 0.28 0.00 0.00 177.26 177.30 2r17 n SER 547 N -0.94 0.04 0.00 6.41 2.88 0.17 -1.24 113.62 120.93 2r17 n SER 547 Ca 0.48 -1.45 0.00 0.00 -1.33 0.00 0.00 58.87 56.56 2r17 n SER 547 Cb 0.96 -0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.42 2r17 n SER 547 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 2r17 n LYS 548 N -0.75 4.01 0.00 -1.46 4.81 -1.26 -4.76 118.16 118.74 2r17 n LYS 548 Ca 0.13 0.00 0.14 0.00 -0.87 0.00 0.00 58.31 57.71 2r17 n LYS 548 Cb 0.07 -0.42 0.55 0.00 0.02 0.00 0.00 35.03 35.25 2r17 n LYS 548 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 2r17 n VAL 549 N -0.70 0.00 -4.29 3.15 0.31 -0.38 -4.78 118.33 111.65 2r17 n VAL 549 Ca 0.00 -0.00 -0.20 0.00 -0.01 0.00 0.00 64.34 64.13 2r17 n VAL 549 Cb 0.00 -0.33 -0.13 0.00 -0.91 0.00 0.00 33.84 32.48 2r17 n VAL 549 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2r17 s ASP 550 N -2.96 1.70 -0.02 4.52 -1.08 -1.12 -5.04 116.67 112.68 2r17 s ASP 550 Ca 0.15 -0.52 0.18 0.00 -0.52 0.00 0.00 52.55 51.83 2r17 s ASP 550 Cb 0.19 -0.09 -0.24 0.00 -1.46 0.00 0.00 42.92 41.32 2r17 s ASP 550 CO 0.56 -0.01 0.52 0.47 0.52 0.00 0.00 175.17 177.24 2r17 n ASP 551 N 1.64 0.88 -1.39 -0.34 8.00 -1.26 -4.30 116.55 119.78 2r17 n ASP 551 Ca -0.19 -0.35 0.09 0.00 0.71 0.00 0.00 54.79 55.05 2r17 n ASP 551 Cb 0.54 1.50 0.32 0.00 -0.02 0.00 0.00 41.12 43.47 2r17 n ASP 551 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2r17 n LYS 552 N -1.85 3.59 -0.12 -1.24 4.01 -1.26 -4.57 118.16 116.72 2r17 n LYS 552 Ca -0.01 -2.80 0.09 0.00 -0.51 0.00 0.00 58.31 55.09 2r17 n LYS 552 Cb 0.39 -1.83 0.44 0.00 -0.51 0.00 0.00 35.03 33.52 2r17 n LYS 552 CO 0.00 0.00 0.00 0.11 -1.11 0.00 0.00 177.40 176.40 2r17 h TRP 553 N 3.50 0.58 0.00 2.13 5.08 -1.89 0.16 115.95 125.50 2r17 h TRP 553 Ca 0.00 0.02 -0.09 0.00 1.08 0.00 0.00 58.89 59.90 2r17 h TRP 553 Cb 1.39 -0.19 -0.01 0.00 -3.00 0.00 0.00 29.16 27.35 2r17 h TRP 553 CO 0.68 0.29 -0.41 0.93 -1.28 0.00 0.00 178.44 178.66 2r17 h GLU 554 N 0.56 0.00 -0.03 0.12 5.08 -1.92 -1.78 114.58 116.62 2r17 h GLU 554 Ca 0.29 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.40 2r17 h GLU 554 Cb 0.40 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.66 2r17 h GLU 554 CO -0.09 0.41 -0.96 0.87 -1.00 0.00 0.00 179.01 178.24 2r17 h LYS 555 N 0.00 0.63 -0.59 2.33 6.56 -1.09 -2.79 116.57 121.63 2r17 h LYS 555 Ca -0.00 -0.64 -0.02 0.00 -1.06 0.00 0.00 60.65 58.93 2r17 h LYS 555 Cb 0.75 0.17 -0.03 0.00 -0.57 0.00 0.00 32.23 32.55 2r17 h LYS 555 CO 0.05 1.24 0.29 0.87 -2.06 0.00 0.00 179.45 179.85 2r17 h LYS 556 N 0.37 0.84 -0.70 3.15 1.57 -0.85 -2.28 116.57 118.67 2r17 h LYS 556 Ca -0.10 -0.12 0.03 0.00 -1.87 0.00 0.00 60.65 58.59 2r17 h LYS 556 Cb 1.60 -0.15 -0.04 0.00 0.08 0.00 0.00 32.23 33.71 2r17 h LYS 556 CO 0.18 0.68 0.44 0.00 -0.57 0.00 0.00 179.45 180.18 2r17 h GLN 558 N 0.87 1.24 -0.32 0.00 4.20 -1.19 -0.90 115.11 119.00 2r17 h GLN 558 Ca 0.28 -0.11 -0.11 0.00 0.06 0.00 0.00 58.65 58.77 2r17 h GLN 558 Cb 0.00 -0.26 -0.01 0.00 0.30 0.00 0.00 27.48 27.51 2r17 h GLN 558 CO -0.10 0.86 -0.22 -0.22 -0.67 0.00 0.00 178.83 178.48 2r17 h LYS 559 N 1.26 0.72 -0.08 1.46 3.64 -0.82 -1.95 116.57 120.80 2r17 h LYS 559 Ca 0.33 -0.34 -0.07 0.00 -1.27 0.00 0.00 60.65 59.30 2r17 h LYS 559 Cb -0.06 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.74 2r17 h LYS 559 CO -0.06 0.95 -0.26 0.97 -2.27 0.00 0.00 179.45 178.78 2r17 h ILE 560 N 0.48 1.22 0.00 2.00 6.09 -0.67 -0.13 117.51 126.51 2r17 h ILE 560 Ca 0.06 -1.05 -0.01 0.00 -1.37 0.00 0.00 64.86 62.50 2r17 h ILE 560 Cb 0.78 1.46 -0.00 0.00 0.47 0.00 0.00 36.82 39.52 2r17 h ILE 560 CO 0.06 0.31 -0.04 -0.26 -3.07 0.00 0.00 178.15 175.15 2r17 h PHE 561 N 0.13 0.00 0.00 2.19 -1.00 -1.05 -1.35 116.94 115.86 2r17 h PHE 561 Ca 0.02 0.00 -0.18 0.00 2.81 0.00 0.00 57.97 60.62 2r17 h PHE 561 Cb 0.54 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 40.07 2r17 h PHE 561 CO 0.00 0.04 -0.85 1.03 -1.61 0.00 0.00 178.31 176.92 2r17 h SER 562 N 0.00 0.00 -0.22 2.17 0.87 -0.51 -1.96 113.55 113.91 2r17 h SER 562 Ca -0.00 0.00 -0.13 0.00 -1.23 0.00 0.00 61.79 60.43 2r17 h SER 562 Cb 0.93 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.89 2r17 h SER 562 CO 0.01 0.85 -0.38 0.15 -0.53 0.00 0.00 176.83 176.93 2r17 h PHE 563 N 0.00 0.79 -0.45 2.24 3.04 -0.51 -2.28 116.94 119.78 2r17 h PHE 563 Ca -0.01 -0.28 -0.07 0.00 3.98 0.00 0.00 57.97 61.59 2r17 h PHE 563 Cb 1.59 -0.15 -0.02 0.00 2.56 0.00 0.00 35.95 39.93 2r17 h PHE 563 CO 0.00 1.03 -0.01 0.00 -2.02 0.00 0.00 178.31 177.31 2r17 h ALA 564 N 0.62 0.60 -0.78 2.41 0.00 -1.25 0.74 119.26 121.60 2r17 h ALA 564 Ca 0.01 -0.28 0.08 0.00 0.00 0.00 0.00 54.91 54.73 2r17 h ALA 564 Cb 0.97 -0.16 -0.07 0.00 0.00 0.00 0.00 17.79 18.53 2r17 h ALA 564 CO 0.09 0.41 0.44 1.25 0.00 0.00 0.00 179.25 181.43 2r17 h HIS 565 N 0.64 0.80 0.42 0.00 -0.00 -1.32 -0.86 115.15 114.83 2r17 h HIS 565 Ca 0.12 0.03 -0.02 0.00 -0.00 0.00 0.00 60.37 60.50 2r17 h HIS 565 Cb 0.51 -0.24 0.00 0.00 -0.00 0.00 0.00 27.41 27.68 2r17 h HIS 565 CO 0.04 0.34 -0.20 0.37 -0.00 0.00 0.00 177.93 178.48 2r17 h GLN 566 N 0.76 -0.55 -0.75 5.26 4.15 -1.01 -1.85 115.11 121.12 2r17 h GLN 566 Ca 0.37 0.04 0.13 0.00 0.77 0.00 0.00 58.65 59.96 2r17 h GLN 566 Cb 0.31 0.12 -0.09 0.00 0.21 0.00 0.00 27.48 28.03 2r17 h GLN 566 CO -0.23 -0.26 0.33 1.15 -1.93 0.00 0.00 178.83 177.89 2r17 h THR 567 N -0.80 0.71 -0.45 2.39 2.02 -0.49 -1.65 112.91 114.64 2r17 h THR 567 Ca -0.06 -0.17 -0.06 0.00 0.77 0.00 0.00 66.41 66.90 2r17 h THR 567 Cb 0.54 0.17 -0.02 0.00 -1.74 0.00 0.00 68.15 67.10 2r17 h THR 567 CO 0.10 0.09 0.06 0.40 0.37 0.00 0.00 175.52 176.54 2r17 h ILE 568 N 0.50 1.25 -0.15 3.11 2.04 -1.12 -2.12 117.51 121.02 2r17 h ILE 568 Ca 0.40 -0.92 0.04 0.00 1.00 0.00 0.00 64.86 65.39 2r17 h ILE 568 Cb 0.57 0.98 -0.01 0.00 -0.74 0.00 0.00 36.82 37.62 2r17 h ILE 568 CO -0.37 0.32 0.14 0.28 0.00 0.00 0.00 178.15 178.52 2r17 h SER 569 N 0.61 0.00 -0.37 1.72 0.02 -0.45 0.05 113.55 115.12 2r17 h SER 569 Ca 0.13 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.07 2r17 h SER 569 Cb 0.40 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.92 2r17 h SER 569 CO 0.01 0.00 0.16 0.00 -1.14 0.00 0.00 176.83 175.87 2r17 h ALA 570 N 1.86 0.48 -0.20 3.77 0.00 -0.66 -2.55 119.26 121.96 2r17 h ALA 570 Ca 0.07 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 2r17 h ALA 570 Cb 0.35 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2r17 h ALA 570 CO -0.00 0.06 -0.02 -0.07 0.00 0.00 0.00 179.25 179.22 2r17 h LEU 571 N 0.46 0.28 -0.47 0.00 3.38 -0.95 -2.47 115.31 115.54 2r17 h LEU 571 Ca 0.13 -0.04 -0.08 0.00 0.09 0.00 0.00 57.88 57.98 2r17 h LEU 571 Cb 0.15 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 2r17 h LEU 571 CO -0.01 0.35 -0.01 0.40 0.09 0.00 0.00 178.44 179.25 2r17 h ILE 572 N 0.30 1.26 -0.17 1.22 2.04 -1.23 -2.34 117.51 118.58 2r17 h ILE 572 Ca 0.07 -1.08 0.02 0.00 1.00 0.00 0.00 64.86 64.86 2r17 h ILE 572 Cb 0.24 1.03 -0.01 0.00 -0.74 0.00 0.00 36.82 37.34 2r17 h ILE 572 CO 0.01 0.38 0.12 0.50 0.00 0.00 0.00 178.15 179.15 2r17 h LYS 573 N 0.69 0.16 -0.98 2.37 3.64 -1.05 0.25 116.57 121.65 2r17 h LYS 573 Ca 0.13 -0.01 -0.16 0.00 -1.27 0.00 0.00 60.65 59.34 2r17 h LYS 573 Cb 0.53 -0.04 -0.09 0.00 -0.41 0.00 0.00 32.23 32.22 2r17 h LYS 573 CO 0.03 0.10 0.20 0.00 -2.27 0.00 0.00 179.45 177.51 2r17 n ALA 574 N -2.53 3.52 -3.84 5.00 0.00 -0.91 -4.87 120.51 116.88 2r17 n ALA 574 Ca 0.00 -0.98 -0.32 0.00 0.00 0.00 0.00 53.44 52.14 2r17 n ALA 574 Cb 0.13 -1.14 0.02 0.00 0.00 0.00 0.00 19.45 18.46 2r17 n ALA 574 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2r17 n GLU 575 N -0.04 -1.73 -4.38 0.00 4.07 0.08 -4.98 120.64 113.65 2r17 n GLU 575 Ca 0.20 0.38 -0.27 0.00 -0.06 0.00 0.00 57.16 57.40 2r17 n GLU 575 Cb 0.87 -4.00 -0.13 0.00 -0.06 0.00 0.00 31.44 28.12 2r17 n GLU 575 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 2r17 s LEU 576 N -6.79 2.35 0.15 4.31 1.43 -1.01 -5.03 118.68 114.09 2r17 s LEU 576 Ca 0.32 -0.78 0.00 0.00 -1.03 0.00 0.00 54.13 52.64 2r17 s LEU 576 Cb -0.13 -1.15 0.00 0.00 0.03 0.00 0.00 46.19 44.95 2r17 s LEU 576 CO 0.89 0.14 0.00 0.00 0.23 0.00 0.00 176.35 177.61 2r17 n ALA 577 N 0.74 3.00 -0.24 4.21 0.00 -1.26 -4.35 120.51 122.61 2r17 n ALA 577 Ca -0.17 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.15 2r17 n ALA 577 Cb 0.54 0.04 -0.09 0.00 0.00 0.00 0.00 19.45 19.94 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 -0.24 0.05 0.00 4.39 -1.96 0.36 114.58 117.19 2r17 h GLU 578 Ca 0.00 0.02 0.03 0.00 0.34 0.00 0.00 59.36 59.74 2r17 h GLU 578 Cb 0.00 0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 28.66 2r17 h GLU 578 CO 0.00 -0.16 -0.29 1.25 -1.16 0.00 0.00 179.01 178.65 2r17 h LEU 579 N -0.25 -0.84 -1.44 1.33 5.85 -2.00 -2.36 115.31 115.59 2r17 h LEU 579 Ca 0.12 0.11 0.04 0.00 0.84 0.00 0.00 57.88 58.99 2r17 h LEU 579 Cb 0.54 0.33 -0.04 0.00 0.37 0.00 0.00 40.66 41.86 2r17 h LEU 579 CO -0.72 -0.36 0.42 -0.65 -0.34 0.00 0.00 178.44 176.78 2r17 h PRO 580 N -0.46 0.70 -0.34 5.25 0.11 -1.71 -1.03 132.00 134.51 2r17 h PRO 580 Ca 0.05 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.10 2r17 h PRO 580 Cb 0.53 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 31.46 2r17 h PRO 580 CO -0.21 0.46 0.15 1.25 -0.21 0.00 0.00 178.00 179.44 2r17 h LEU 581 N 0.72 0.45 -0.74 2.35 6.46 -0.52 -1.42 115.31 122.61 2r17 h LEU 581 Ca 0.26 -0.14 -0.11 0.00 -0.12 0.00 0.00 57.88 57.77 2r17 h LEU 581 Cb 0.12 -0.12 -0.02 0.00 -0.73 0.00 0.00 40.66 39.92 2r17 h LEU 581 CO -0.07 0.47 -0.17 0.03 -0.62 0.00 0.00 178.44 178.08 2r17 h ARG 582 N 0.41 0.78 0.00 1.25 -0.00 -0.91 -2.65 114.38 113.26 2r17 h ARG 582 Ca 0.12 -0.29 -0.07 0.00 -0.50 0.00 0.00 59.98 59.24 2r17 h ARG 582 Cb 0.14 -0.05 -0.01 0.00 0.00 0.00 0.00 29.97 30.05 2r17 h ARG 582 CO -0.01 0.90 -0.32 -0.07 0.00 0.00 0.00 179.97 180.47 2r17 h LEU 583 N 0.69 0.00 -0.34 3.04 3.38 -0.95 -1.44 115.31 119.69 2r17 h LEU 583 Ca 0.11 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.88 2r17 h LEU 583 Cb 0.67 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.42 2r17 h LEU 583 CO 0.05 0.32 -0.68 -0.26 0.09 0.00 0.00 178.44 177.96 2r17 h PHE 584 N 0.00 0.84 -0.03 1.13 0.05 -1.10 -2.37 116.94 115.46 2r17 h PHE 584 Ca -0.00 -0.34 -0.00 0.00 3.82 0.00 0.00 57.97 61.44 2r17 h PHE 584 Cb 0.62 -0.14 -0.00 0.00 2.00 0.00 0.00 35.95 38.43 2r17 h PHE 584 CO 0.00 1.13 0.02 -0.07 -0.18 0.00 0.00 178.31 179.21 2r17 h LEU 585 N 0.46 0.04 -0.95 1.54 3.38 -1.08 0.19 115.31 118.89 2r17 h LEU 585 Ca -0.02 -0.08 0.09 0.00 0.09 0.00 0.00 57.88 57.96 2r17 h LEU 585 Cb 1.27 -0.01 -0.07 0.00 0.09 0.00 0.00 40.66 41.93 2r17 h LEU 585 CO 0.13 0.11 0.60 1.56 0.09 0.00 0.00 178.44 180.92 2r17 h GLN 586 N -0.03 0.99 -0.67 1.13 1.08 -1.26 0.44 115.11 116.79 2r17 h GLN 586 Ca 0.01 -0.06 -0.08 0.00 -1.45 0.00 0.00 58.65 57.07 2r17 h GLN 586 Cb 0.08 -0.22 -0.03 0.00 -0.05 0.00 0.00 27.48 27.26 2r17 h GLN 586 CO -0.00 0.66 0.09 0.78 -0.95 0.00 0.00 178.83 179.41 2r17 h GLY 587 N 1.02 1.20 0.99 3.46 0.00 -0.90 -0.28 103.07 108.56 2r17 h GLY 587 Ca 0.44 -0.81 -0.00 0.00 0.00 0.00 0.00 47.33 46.95 2r17 h GLY 587 CO -0.22 0.75 -0.05 0.00 0.00 0.00 0.00 176.54 177.03 2r17 h ALA 588 N 1.04 -0.13 -0.54 3.60 0.00 0.13 -1.28 119.26 122.08 2r17 h ALA 588 Ca 0.20 -0.04 0.07 0.00 0.00 0.00 0.00 54.91 55.14 2r17 h ALA 588 Cb 0.46 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.25 2r17 h ALA 588 CO 0.02 -0.57 0.23 -0.07 0.00 0.00 0.00 179.25 178.86 2r17 h LEU 589 N -0.15 0.27 0.03 0.00 3.38 -0.72 -1.65 115.31 116.47 2r17 h LEU 589 Ca -0.01 0.05 0.01 0.00 0.09 0.00 0.00 57.88 58.03 2r17 h LEU 589 Cb 0.11 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 2r17 h LEU 589 CO 0.02 0.18 -0.12 0.00 0.09 0.00 0.00 178.44 178.62 2r17 h ALA 590 N 1.34 -0.16 -0.33 1.53 0.00 -0.68 -1.80 119.26 119.17 2r17 h ALA 590 Ca 0.26 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.17 2r17 h ALA 590 Cb 0.25 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 2r17 h ALA 590 CO -0.23 -0.62 0.21 0.00 0.00 0.00 0.00 179.25 178.61 2r17 h ALA 591 N 0.72 1.76 0.13 0.00 0.00 -1.01 -1.69 119.26 119.17 2r17 h ALA 591 Ca 0.03 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 2r17 h ALA 591 Cb 0.25 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2r17 h ALA 591 CO -0.09 0.22 -0.06 0.78 0.00 0.00 0.00 179.25 180.10 2r17 h GLY 592 N 0.45 -0.18 1.35 0.00 0.00 -0.64 -3.03 103.07 101.02 2r17 h GLY 592 Ca 0.12 0.07 -0.04 0.00 0.00 0.00 0.00 47.33 47.47 2r17 h GLY 592 CO -0.02 -0.07 0.16 0.83 0.00 0.00 0.00 176.54 177.44 2r17 h GLU 593 N -0.39 0.82 -0.14 4.80 4.39 -0.93 -3.27 114.58 119.86 2r17 h GLU 593 Ca -0.02 -0.15 -0.21 0.00 0.34 0.00 0.00 59.36 59.32 2r17 h GLU 593 Cb 0.31 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 28.84 2r17 h GLU 593 CO 0.03 0.72 -0.74 0.82 -1.16 0.00 0.00 179.01 178.67 2r17 h ILE 594 N 0.80 1.31 -1.06 3.13 2.04 -1.34 -3.48 117.51 118.91 2r17 h ILE 594 Ca 0.18 -2.00 -0.33 0.00 1.00 0.00 0.00 64.86 63.71 2r17 h ILE 594 Cb 0.25 1.99 -0.11 0.00 -0.74 0.00 0.00 36.82 38.21 2r17 h ILE 594 CO -0.01 0.63 -0.32 0.61 0.00 0.00 0.00 178.15 179.06 2r17 n GLY 595 N 0.62 1.26 3.41 5.37 0.00 -1.15 -4.99 105.19 109.71 2r17 n GLY 595 Ca -0.06 -0.25 -0.30 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.64 0.15 0.10 1.61 -0.71 -1.26 -4.85 117.98 110.38 2r17 s PHE 596 Ca 0.00 0.73 -0.30 0.00 -1.04 0.00 0.00 56.93 56.31 2r17 s PHE 596 Cb 0.00 -3.04 -0.06 0.00 -1.21 0.00 0.00 43.02 38.71 2r17 s PHE 596 CO 0.00 -4.48 1.00 -1.83 -1.34 0.00 0.00 175.22 168.57 2r17 s GLU 597 N -4.96 4.65 0.00 1.99 -1.05 -1.26 -2.43 118.70 115.63 2r17 s GLU 597 Ca 0.69 1.51 0.00 0.00 -0.15 0.00 0.00 54.97 57.02 2r17 s GLU 597 Cb -0.16 -3.37 0.00 0.00 -0.44 0.00 0.00 34.13 30.16 2r17 s GLU 597 CO 0.59 0.13 0.00 -1.71 0.95 0.00 0.00 175.26 175.22 2r17 n ASN 598 N 2.94 -1.02 -0.26 0.83 2.85 -1.26 -4.92 115.26 114.42 2r17 n ASN 598 Ca 0.03 0.00 0.11 0.00 -0.11 0.00 0.00 54.58 54.62 2r17 n ASN 598 Cb 0.49 -0.17 0.38 0.00 1.24 0.00 0.00 39.78 41.72 2r17 n ASN 598 CO 0.00 0.00 0.00 1.12 -2.11 0.00 0.00 177.26 176.27 2r17 h HIS 599 N 0.00 0.80 -0.48 1.20 2.07 -1.81 -1.76 115.15 115.17 2r17 h HIS 599 Ca 0.00 0.02 -0.06 0.00 -2.85 0.00 0.00 60.37 57.49 2r17 h HIS 599 Cb 0.00 -0.25 -0.02 0.00 2.57 0.00 0.00 27.41 29.71 2r17 h HIS 599 CO 0.00 0.31 0.07 1.49 -3.07 0.00 0.00 177.93 176.73 2r17 h GLU 600 N 0.69 0.79 -0.61 5.12 4.81 -1.85 0.56 114.58 124.10 2r17 h GLU 600 Ca 0.43 -0.21 -0.02 0.00 -0.13 0.00 0.00 59.36 59.43 2r17 h GLU 600 Cb 0.68 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.94 2r17 h GLU 600 CO -0.19 0.80 0.30 1.15 -0.73 0.00 0.00 179.01 180.34 2r17 h THR 601 N 0.66 1.21 -0.21 0.32 2.02 -1.77 -0.12 112.91 115.02 2r17 h THR 601 Ca 0.14 -0.59 -0.02 0.00 0.77 0.00 0.00 66.41 66.72 2r17 h THR 601 Cb 0.40 0.48 -0.01 0.00 -1.74 0.00 0.00 68.15 67.28 2r17 h THR 601 CO 0.01 0.24 0.07 0.58 0.37 0.00 0.00 175.52 176.79 2r17 h VAL 602 N 0.83 1.18 -0.82 3.16 2.07 -1.20 -1.70 116.25 119.77 2r17 h VAL 602 Ca 0.21 -0.56 0.01 0.00 0.82 0.00 0.00 66.70 67.18 2r17 h VAL 602 Cb 0.11 1.16 -0.04 0.00 -1.52 0.00 0.00 31.29 31.00 2r17 h VAL 602 CO -0.03 0.18 0.54 0.00 0.02 0.00 0.00 177.57 178.29 2r17 h ALA 603 N 0.90 1.42 -0.18 1.67 0.00 -0.62 -0.54 119.26 121.91 2r17 h ALA 603 Ca 0.07 -0.06 -0.15 0.00 0.00 0.00 0.00 54.91 54.78 2r17 h ALA 603 Cb 0.21 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2r17 h ALA 603 CO -0.00 0.54 -0.50 -0.92 0.00 0.00 0.00 179.25 178.36 2r17 h TYR 604 N 1.11 0.60 -0.32 0.00 5.03 -0.81 -2.96 116.97 119.62 2r17 h TYR 604 Ca 0.30 -0.20 -0.03 0.00 2.58 0.00 0.00 58.73 61.38 2r17 h TYR 604 Cb -0.12 -0.12 -0.01 0.00 1.55 0.00 0.00 36.73 38.03 2r17 h TYR 604 CO -0.00 0.89 0.08 1.49 -1.32 0.00 0.00 178.16 179.31 2r17 h GLU 605 N 0.38 0.51 -1.20 1.82 4.57 -0.59 -1.78 114.58 118.29 2r17 h GLU 605 Ca 0.02 -0.12 0.00 0.00 -1.18 0.00 0.00 59.36 58.08 2r17 h GLU 605 Cb 1.02 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.54 2r17 h GLU 605 CO 0.09 0.57 0.00 1.19 -1.18 0.00 0.00 179.01 179.68 2r17 n PHE 606 N -4.65 0.00 0.00 0.92 3.01 -0.28 -1.15 117.46 115.30 2r17 n PHE 606 Ca -0.02 -0.07 0.00 0.00 1.01 0.00 0.00 57.45 58.37 2r17 n PHE 606 Cb 0.19 -0.09 0.00 0.00 -0.01 0.00 0.00 39.48 39.56 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 0.70 0.00 -0.20 4.37 3.41 -0.67 -2.45 113.62 118.78 2r17 n SER 608 Ca 0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 58.87 58.54 2r17 n SER 608 Cb 0.09 0.00 0.08 0.00 -0.26 0.00 0.00 64.21 64.12 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 1.02 -0.51 4.33 5.75 -1.38 0.20 115.11 124.52 2r17 h GLN 609 Ca 0.00 -0.27 -0.07 0.00 -0.15 0.00 0.00 58.65 58.16 2r17 h GLN 609 Cb 0.00 -0.12 -0.02 0.00 1.07 0.00 0.00 27.48 28.41 2r17 h GLN 609 CO 0.00 0.95 0.03 0.00 -2.65 0.00 0.00 178.83 177.16 2r17 h ALA 610 N 1.13 0.68 -0.69 3.38 0.00 -1.73 -2.59 119.26 119.45 2r17 h ALA 610 Ca 0.19 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 2r17 h ALA 610 Cb 0.44 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 2r17 h ALA 610 CO 0.01 0.46 0.27 0.74 0.00 0.00 0.00 179.25 180.74 2r17 h PHE 611 N 0.75 1.02 -0.31 0.00 -1.00 -1.70 -2.22 116.94 113.47 2r17 h PHE 611 Ca 0.15 -0.07 0.02 0.00 2.81 0.00 0.00 57.97 60.89 2r17 h PHE 611 Cb 0.47 -0.31 -0.03 0.00 3.61 0.00 0.00 35.95 39.70 2r17 h PHE 611 CO 0.03 0.78 0.15 0.77 -1.61 0.00 0.00 178.31 178.43 2r17 h SER 612 N 0.99 0.22 -0.99 2.17 0.02 -0.29 -1.27 113.55 114.39 2r17 h SER 612 Ca 0.23 0.02 0.01 0.00 -0.84 0.00 0.00 61.79 61.21 2r17 h SER 612 Cb 0.19 -0.02 -0.05 0.00 0.14 0.00 0.00 62.40 62.66 2r17 h SER 612 CO -0.02 0.16 0.66 -0.07 -1.14 0.00 0.00 176.83 176.42 2r17 h LEU 613 N 0.31 1.14 -0.03 5.07 3.38 -1.14 -1.79 115.31 122.25 2r17 h LEU 613 Ca 0.13 -0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.09 2r17 h LEU 613 Cb 0.05 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 2r17 h LEU 613 CO -0.09 0.83 -0.06 0.22 0.09 0.00 0.00 178.44 179.42 2r17 h TYR 614 N 1.35 -0.16 0.00 1.13 3.20 -0.71 -0.88 116.97 120.90 2r17 h TYR 614 Ca 0.36 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.24 2r17 h TYR 614 Cb -0.15 0.08 0.00 0.00 1.54 0.00 0.00 36.73 38.19 2r17 h TYR 614 CO -0.00 -0.10 0.00 0.39 -1.64 0.00 0.00 178.16 176.81 2r17 n GLU 615 N -5.19 0.00 0.01 1.82 1.02 -0.57 -3.08 120.64 114.66 2r17 n GLU 615 Ca -0.05 0.33 -0.09 0.00 -0.02 0.00 0.00 57.16 57.32 2r17 n GLU 615 Cb 0.11 -1.23 -0.06 0.00 -0.02 0.00 0.00 31.44 30.24 2r17 n GLU 615 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 2r17 h ASP 616 N 0.00 -1.04 0.65 1.62 3.32 -1.41 -3.33 116.42 116.22 2r17 h ASP 616 Ca 0.00 0.12 0.00 0.00 0.02 0.00 0.00 57.03 57.17 2r17 h ASP 616 Cb 0.00 0.40 0.00 0.00 0.22 0.00 0.00 39.33 39.95 2r17 h ASP 616 CO 0.00 -0.31 -0.45 -0.62 -1.72 0.00 0.00 179.24 176.14 2r17 n GLU 617 N -4.31 0.06 -3.69 3.56 -0.58 -0.35 -4.81 120.64 110.53 2r17 n GLU 617 Ca -0.04 0.02 -0.39 0.00 -0.42 0.00 0.00 57.16 56.33 2r17 n GLU 617 Cb 0.24 -1.54 -0.12 0.00 -0.57 0.00 0.00 31.44 29.45 2r17 n GLU 617 CO 0.00 0.00 0.00 -1.50 -0.48 0.00 0.00 177.13 175.15 2r17 s ILE 618 N -3.03 4.15 -0.14 -3.67 2.07 -1.11 -4.91 121.20 114.54 2r17 s ILE 618 Ca 0.10 -0.96 0.08 0.00 -1.41 0.00 0.00 60.65 58.47 2r17 s ILE 618 Cb 0.17 -3.31 -0.14 0.00 0.13 0.00 0.00 42.46 39.31 2r17 s ILE 618 CO 0.68 -0.17 -0.02 -1.54 -1.91 0.00 0.00 174.94 171.98 2r17 n SER 619 N 4.90 2.08 -4.74 4.50 3.41 -1.26 -4.80 113.62 117.71 2r17 n SER 619 Ca -0.12 -0.03 -0.42 0.00 -0.26 0.00 0.00 58.87 58.04 2r17 n SER 619 Cb 0.46 0.46 -0.01 0.00 -0.26 0.00 0.00 64.21 64.86 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 -2.65 3.51 -0.06 4.04 -0.08 -1.26 -4.92 116.55 115.13 2r17 n ASP 620 Ca -0.24 1.20 -0.10 0.00 -1.51 0.00 0.00 54.79 54.14 2r17 n ASP 620 Cb 0.89 -1.57 -0.03 0.00 2.34 0.00 0.00 41.12 42.75 2r17 n ASP 620 CO 0.00 0.00 0.00 -1.28 0.12 0.00 0.00 177.20 176.04 2r17 h SER 621 N 3.40 0.28 -0.25 1.67 0.87 -2.00 -2.29 113.55 115.23 2r17 h SER 621 Ca -0.48 -0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 60.04 2r17 h SER 621 Cb 1.25 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 63.13 2r17 h SER 621 CO 0.68 0.23 0.13 0.11 -0.53 0.00 0.00 176.83 177.45 2r17 h LYS 622 N 0.30 0.35 -0.07 2.24 1.57 -2.01 -2.36 116.57 116.59 2r17 h LYS 622 Ca 0.08 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 2r17 h LYS 622 Cb -0.00 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.24 2r17 h LYS 622 CO -0.02 0.32 0.02 0.00 -0.57 0.00 0.00 179.45 179.20 2r17 h ALA 623 N 1.01 1.89 0.61 3.86 0.00 -1.94 -2.69 119.26 122.00 2r17 h ALA 623 Ca 0.09 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 2r17 h ALA 623 Cb 0.08 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 17.84 2r17 h ALA 623 CO -0.01 0.09 -0.29 1.96 0.00 0.00 0.00 179.25 180.99 2r17 h GLN 624 N 0.10 -0.79 -0.96 0.00 4.20 -0.90 0.98 115.11 117.74 2r17 h GLN 624 Ca 0.03 0.05 0.17 0.00 0.06 0.00 0.00 58.65 58.96 2r17 h GLN 624 Cb 0.05 0.18 -0.10 0.00 0.30 0.00 0.00 27.48 27.90 2r17 h GLN 624 CO -0.00 -0.47 0.56 1.25 -0.67 0.00 0.00 178.83 179.49 2r17 h LEU 625 N -1.08 0.72 -0.24 1.46 7.12 -1.34 0.33 115.31 122.27 2r17 h LEU 625 Ca -0.08 0.09 -0.11 0.00 0.13 0.00 0.00 57.88 57.91 2r17 h LEU 625 Cb 0.68 -0.03 -0.00 0.00 -0.53 0.00 0.00 40.66 40.77 2r17 h LEU 625 CO 0.14 0.28 -0.28 0.00 -0.13 0.00 0.00 178.44 178.44 2r17 h ALA 626 N 1.61 0.36 -0.45 1.25 0.00 -1.44 -1.69 119.26 118.92 2r17 h ALA 626 Ca 0.54 -0.40 -0.14 0.00 0.00 0.00 0.00 54.91 54.91 2r17 h ALA 626 Cb 0.79 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 2r17 h ALA 626 CO -0.37 0.37 -0.27 0.00 0.00 0.00 0.00 179.25 178.99 2r17 h ALA 627 N 0.67 0.68 0.00 0.00 0.00 0.64 -1.73 119.26 119.52 2r17 h ALA 627 Ca 0.03 -0.41 -0.18 0.00 0.00 0.00 0.00 54.91 54.36 2r17 h ALA 627 Cb 0.85 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 2r17 h ALA 627 CO 0.07 0.67 -0.84 0.97 0.00 0.00 0.00 179.25 180.13 2r17 h ILE 628 N 0.82 1.58 -0.04 0.00 2.10 -0.46 -1.89 117.51 119.61 2r17 h ILE 628 Ca 0.10 -2.88 -0.13 0.00 1.08 0.00 0.00 64.86 63.02 2r17 h ILE 628 Cb 0.85 2.56 -0.01 0.00 -1.09 0.00 0.00 36.82 39.12 2r17 h ILE 628 CO 0.07 0.82 -0.56 0.00 -1.08 0.00 0.00 178.15 177.41 2r17 h THR 629 N 0.00 1.38 -0.06 2.19 1.03 -1.26 -0.98 112.91 115.21 2r17 h THR 629 Ca -0.01 -1.89 -0.20 0.00 -0.01 0.00 0.00 66.41 64.30 2r17 h THR 629 Cb 1.50 1.97 -0.00 0.00 -1.07 0.00 0.00 68.15 70.55 2r17 h THR 629 CO 0.11 0.55 -0.79 0.25 -0.01 0.00 0.00 175.52 175.63 2r17 h LEU 630 N 0.10 0.52 -0.44 0.00 7.12 -1.12 -1.43 115.31 120.05 2r17 h LEU 630 Ca -0.00 -0.36 -0.10 0.00 0.13 0.00 0.00 57.88 57.55 2r17 h LEU 630 Cb 1.01 -0.15 -0.01 0.00 -0.53 0.00 0.00 40.66 40.97 2r17 h LEU 630 CO 0.08 1.12 -0.12 0.40 -0.13 0.00 0.00 178.44 179.79 2r17 h ILE 631 N 0.28 1.27 -0.36 4.05 2.04 -1.05 -1.81 117.51 121.93 2r17 h ILE 631 Ca -0.04 -1.24 -0.09 0.00 1.00 0.00 0.00 64.86 64.48 2r17 h ILE 631 Cb 1.38 1.16 -0.01 0.00 -0.74 0.00 0.00 36.82 38.61 2r17 h ILE 631 CO 0.14 0.42 -0.14 0.40 0.00 0.00 0.00 178.15 178.97 2r17 h ILE 632 N 0.70 1.28 -0.25 -0.67 2.04 -1.17 -0.83 117.51 118.61 2r17 h ILE 632 Ca 0.11 -1.25 -0.05 0.00 1.00 0.00 0.00 64.86 64.67 2r17 h ILE 632 Cb 0.66 1.33 -0.01 0.00 -0.74 0.00 0.00 36.82 38.06 2r17 h ILE 632 CO 0.05 0.41 -0.08 1.23 0.00 0.00 0.00 178.15 179.76 2r17 h GLY 633 N 0.53 0.42 0.49 5.37 0.00 -1.20 -1.54 103.07 107.13 2r17 h GLY 633 Ca 0.08 -0.26 -0.07 0.00 0.00 0.00 0.00 47.33 47.08 2r17 h GLY 633 CO 0.05 0.24 -0.28 -0.84 0.00 0.00 0.00 176.54 175.71 2r17 h THR 634 N 0.37 1.53 -0.28 4.70 2.02 -1.20 -3.26 112.91 116.80 2r17 h THR 634 Ca 0.08 -1.94 0.01 0.00 0.77 0.00 0.00 66.41 65.32 2r17 h THR 634 Cb 0.37 2.73 -0.01 0.00 -1.74 0.00 0.00 68.15 69.50 2r17 h THR 634 CO 0.02 0.54 0.18 0.15 0.37 0.00 0.00 175.52 176.78 2r17 h PHE 635 N -0.46 0.34 0.00 3.16 -0.00 -1.05 -2.10 116.94 116.84 2r17 h PHE 635 Ca -0.03 0.01 -0.03 0.00 -0.00 0.00 0.00 57.97 57.92 2r17 h PHE 635 Cb 1.03 -0.11 -0.00 0.00 -0.00 0.00 0.00 35.95 36.86 2r17 h PHE 635 CO 0.17 0.21 -0.13 1.49 -0.00 0.00 0.00 178.31 180.06 2r17 h GLU 636 N 0.36 0.00 -2.24 1.11 4.22 -1.33 -3.45 114.58 113.25 2r17 h GLU 636 Ca 0.10 0.00 -0.57 0.00 0.08 0.00 0.00 59.36 58.97 2r17 h GLU 636 Cb -0.02 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 29.08 2r17 h GLU 636 CO -0.02 0.13 1.15 0.54 -2.18 0.00 0.00 179.01 178.62 2r17 n ARG 637 N -3.37 3.19 0.00 1.92 5.12 -0.79 -4.60 116.66 118.13 2r17 n ARG 637 Ca -0.00 -2.64 0.00 0.00 -1.93 0.00 0.00 57.85 53.27 2r17 n ARG 637 Cb 0.32 -2.32 0.00 0.00 -1.16 0.00 0.00 32.46 29.30 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 1.36 0.00 0.14 5.56 2.85 -1.26 -5.02 118.16 121.78 2r17 n LYS 639 Ca 0.54 0.00 0.04 0.00 -1.05 0.00 0.00 58.31 57.85 2r17 n LYS 639 Cb 0.46 0.00 0.04 0.00 -0.65 0.00 0.00 35.03 34.88 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 -3.02 3.24 0.44 0.00 2.99 -1.26 -4.72 117.98 115.65 2r17 s PHE 641 Ca 0.04 1.57 -0.13 0.00 0.00 0.00 0.00 56.93 58.41 2r17 s PHE 641 Cb 0.07 -3.43 -0.07 0.00 0.00 0.00 0.00 43.02 39.59 2r17 s PHE 641 CO 0.74 -1.19 0.84 -1.54 -0.00 0.00 0.00 175.22 174.07 2r17 s SER 642 N -0.88 6.56 0.50 1.36 1.04 -1.26 -1.60 113.70 119.42 2r17 s SER 642 Ca 0.50 1.28 0.30 0.00 0.48 0.00 0.00 55.95 58.51 2r17 s SER 642 Cb -0.33 -2.38 1.41 0.00 0.10 0.00 0.00 66.02 64.81 2r17 s SER 642 CO 0.43 -0.46 1.83 -0.08 0.98 0.00 0.00 173.24 175.94 2r17 h GLU 643 N 1.15 0.10 0.00 4.02 4.57 -1.94 0.53 114.58 123.01 2r17 h GLU 643 Ca -0.47 -0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 57.68 2r17 h GLU 643 Cb 1.19 -0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 29.75 2r17 h GLU 643 CO 0.63 0.07 -0.11 1.05 -1.18 0.00 0.00 179.01 179.46 2r17 h GLU 644 N 0.11 0.00 0.00 1.92 4.11 -2.01 -1.53 114.58 117.17 2r17 h GLU 644 Ca 0.52 0.00 -0.38 0.00 0.07 0.00 0.00 59.36 59.57 2r17 h GLU 644 Cb 1.85 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 31.03 2r17 h GLU 644 CO -0.08 0.11 -2.42 0.09 0.07 0.00 0.00 179.01 176.79 2r17 n ASN 645 N -4.04 1.15 -0.24 3.06 3.02 0.16 -4.41 115.26 113.96 2r17 n ASN 645 Ca -0.02 -0.08 -0.06 0.00 -0.03 0.00 0.00 54.58 54.39 2r17 n ASN 645 Cb 0.20 0.21 0.09 0.00 -0.61 0.00 0.00 39.78 39.67 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 1.13 -0.44 3.10 2.76 -0.62 -3.02 115.15 118.06 2r17 h HIS 646 Ca -0.56 -0.11 -0.07 0.00 -2.20 0.00 0.00 60.37 57.43 2r17 h HIS 646 Cb 2.04 -0.33 -0.02 0.00 1.55 0.00 0.00 27.41 30.65 2r17 h HIS 646 CO 0.02 0.90 -0.01 1.49 -1.30 0.00 0.00 177.93 179.03 2r17 h GLU 647 N 1.05 0.72 0.30 5.26 4.22 -1.51 0.17 114.58 124.80 2r17 h GLU 647 Ca 0.23 -0.19 -0.01 0.00 0.08 0.00 0.00 59.36 59.46 2r17 h GLU 647 Cb 0.31 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.48 2r17 h GLU 647 CO -0.01 0.74 -0.14 -1.35 -2.18 0.00 0.00 179.01 176.07 2r17 h PRO 648 N 0.68 -0.39 -0.85 0.92 0.11 -1.74 -1.20 132.00 129.53 2r17 h PRO 648 Ca 0.13 0.03 0.09 0.00 0.11 0.00 0.00 66.00 66.36 2r17 h PRO 648 Cb 0.43 0.09 -0.07 0.00 0.11 0.00 0.00 31.00 31.56 2r17 h PRO 648 CO 0.02 -0.06 0.50 -0.07 -0.21 0.00 0.00 178.00 178.18 2r17 h LEU 649 N -0.80 0.73 0.27 2.35 3.38 -1.51 0.41 115.31 120.16 2r17 h LEU 649 Ca -0.04 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 2r17 h LEU 649 Cb 0.51 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 2r17 h LEU 649 CO 0.07 0.42 -0.22 -0.09 0.09 0.00 0.00 178.44 178.71 2r17 h ARG 650 N 0.85 -0.49 -0.59 1.13 2.43 -0.95 -1.11 114.38 115.65 2r17 h ARG 650 Ca 0.41 0.03 -0.09 0.00 -0.81 0.00 0.00 59.98 59.52 2r17 h ARG 650 Cb 0.34 0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.98 2r17 h ARG 650 CO -0.24 -0.33 0.02 1.79 -1.51 0.00 0.00 179.97 179.70 2r17 h THR 651 N -0.51 1.26 -0.47 0.20 1.35 -0.39 -2.87 112.91 111.49 2r17 h THR 651 Ca -0.02 -1.10 0.03 0.00 -0.55 0.00 0.00 66.41 64.77 2r17 h THR 651 Cb 0.45 0.79 -0.03 0.00 -1.73 0.00 0.00 68.15 67.64 2r17 h THR 651 CO -0.02 0.40 0.31 -0.61 -0.25 0.00 0.00 175.52 175.35 2r17 h GLN 652 N 0.93 0.50 -0.22 4.72 5.75 0.05 -1.92 115.11 124.92 2r17 h GLN 652 Ca 0.17 -0.03 -0.13 0.00 -0.15 0.00 0.00 58.65 58.51 2r17 h GLN 652 Cb 0.52 -0.11 0.00 0.00 1.07 0.00 0.00 27.48 28.95 2r17 h GLN 652 CO 0.03 0.33 -0.38 0.00 -2.65 0.00 0.00 178.83 176.15 2r17 h ALA 654 N 0.62 0.36 0.08 0.00 0.00 -1.28 -0.27 119.26 118.77 2r17 h ALA 654 Ca 0.01 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 2r17 h ALA 654 Cb 0.98 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.78 2r17 h ALA 654 CO 0.09 -0.29 -0.04 -0.07 0.00 0.00 0.00 179.25 178.94 2r17 h LEU 655 N 0.25 -0.09 -0.92 0.00 3.38 -1.39 -0.71 115.31 115.82 2r17 h LEU 655 Ca 0.14 -0.15 0.18 0.00 0.09 0.00 0.00 57.88 58.14 2r17 h LEU 655 Cb 0.11 0.02 -0.11 0.00 0.09 0.00 0.00 40.66 40.78 2r17 h LEU 655 CO -0.14 0.10 0.49 0.00 0.09 0.00 0.00 178.44 178.98 2r17 h ALA 656 N 0.62 1.47 0.03 1.53 0.00 -1.13 -1.57 119.26 120.22 2r17 h ALA 656 Ca -0.01 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 2r17 h ALA 656 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2r17 h ALA 656 CO 0.02 -0.15 -0.02 0.00 0.00 0.00 0.00 179.25 179.11 2r17 h ALA 657 N 1.63 -0.05 0.00 0.00 0.00 -0.67 -2.86 119.26 117.31 2r17 h ALA 657 Ca 0.53 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.30 2r17 h ALA 657 Cb 0.86 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.67 2r17 h ALA 657 CO -0.41 -0.39 0.00 -1.13 0.00 0.00 0.00 179.25 177.32 2r17 n SER 658 N -4.98 0.38 -1.08 0.00 3.41 -0.31 -2.57 113.62 108.48 2r17 n SER 658 Ca -0.08 0.63 0.10 0.00 -0.26 0.00 0.00 58.87 59.26 2r17 n SER 658 Cb 0.16 -0.69 0.22 0.00 -0.26 0.00 0.00 64.21 63.64 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 -1.96 2.49 -1.06 4.33 4.76 -0.66 -5.00 118.16 121.07 2r17 n LYS 659 Ca 0.01 -2.28 -0.33 0.00 -2.87 0.00 0.00 58.31 52.84 2r17 n LYS 659 Cb 0.13 -1.47 0.13 0.00 -1.84 0.00 0.00 35.03 31.98 2r17 n LYS 659 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2r17 s LEU 660 N -1.22 3.11 0.07 -0.35 1.43 -1.06 -4.95 118.68 115.71 2r17 s LEU 660 Ca 0.37 2.36 -0.23 0.00 -1.03 0.00 0.00 54.13 55.60 2r17 s LEU 660 Cb 0.21 -4.59 -0.10 0.00 0.03 0.00 0.00 46.19 41.74 2r17 s LEU 660 CO 0.28 -2.74 1.37 -0.07 0.23 0.00 0.00 176.35 175.43 2r17 h LEU 661 N -1.02 -1.09-10.22 1.79 4.07 -1.92 -3.45 115.31 103.48 2r17 h LEU 661 Ca -0.46 0.12 -0.50 0.00 0.08 0.00 0.00 57.88 57.12 2r17 h LEU 661 Cb 1.29 0.40 0.02 0.00 1.08 0.00 0.00 40.66 43.46 2r17 h LEU 661 CO 0.45 -0.37 0.06 -0.54 -1.08 0.00 0.00 178.44 176.97 2r17 s LYS 662 N -4.85 3.63 0.20 1.13 1.02 -1.26 -5.00 119.74 114.62 2r17 s LYS 662 Ca -0.11 0.23 -0.05 0.00 0.02 0.00 0.00 55.97 56.06 2r17 s LYS 662 Cb 0.04 -2.43 0.15 0.00 -0.52 0.00 0.00 37.83 35.07 2r17 s LYS 662 CO 0.41 -0.07 1.60 0.87 -0.92 0.00 0.00 175.35 177.24 2r17 h LYS 663 N 0.80 0.80 0.77 1.68 1.79 -1.95 -2.20 116.57 118.26 2r17 h LYS 663 Ca -0.47 -0.34 -0.03 0.00 -2.18 0.00 0.00 60.65 57.63 2r17 h LYS 663 Cb 1.20 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.82 2r17 h LYS 663 CO 0.63 0.96 -0.44 -1.35 -1.08 0.00 0.00 179.45 178.18 2r17 h PRO 664 N 0.69 -1.08 -0.97 3.15 0.11 -1.94 -1.28 132.00 130.68 2r17 h PRO 664 Ca 0.09 0.07 0.02 0.00 0.11 0.00 0.00 66.00 66.29 2r17 h PRO 664 Cb 0.78 0.25 -0.05 0.00 0.11 0.00 0.00 31.00 32.08 2r17 h PRO 664 CO 0.06 -0.72 0.64 -0.44 -0.21 0.00 0.00 178.00 177.33 2r17 h ASP 665 N -1.12 1.08 -0.45 -2.05 5.19 -1.97 -1.84 116.42 115.25 2r17 h ASP 665 Ca -0.10 -0.02 0.06 0.00 -0.62 0.00 0.00 57.03 56.35 2r17 h ASP 665 Cb 0.89 -0.26 -0.05 0.00 0.18 0.00 0.00 39.33 40.08 2r17 h ASP 665 CO 0.13 0.76 0.15 -0.61 -3.12 0.00 0.00 179.24 176.55 2r17 h GLN 666 N 1.27 0.30 -0.42 3.56 4.15 -1.25 -0.61 115.11 122.11 2r17 h GLN 666 Ca 0.37 -0.02 -0.10 0.00 0.77 0.00 0.00 58.65 59.67 2r17 h GLN 666 Cb -0.08 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 27.53 2r17 h GLN 666 CO -0.10 0.20 -0.13 0.78 -1.93 0.00 0.00 178.83 177.65 2r17 h GLY 667 N 0.31 0.90 0.78 2.39 0.00 -0.60 -1.64 103.07 105.21 2r17 h GLY 667 Ca 0.22 -0.76 -0.00 0.00 0.00 0.00 0.00 47.33 46.78 2r17 h GLY 667 CO -0.23 0.70 0.00 3.21 0.00 0.00 0.00 176.54 180.21 2r17 h ARG 668 N 0.65 0.01 0.01 4.80 3.08 -1.12 -2.77 114.38 119.04 2r17 h ARG 668 Ca 0.10 -0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.17 2r17 h ARG 668 Cb 0.67 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.70 2r17 h ARG 668 CO 0.05 0.23 -0.10 0.00 -1.07 0.00 0.00 179.97 179.07 2r17 h ALA 669 N 0.78 -0.13 -0.73 0.04 0.00 -1.12 -0.53 119.26 117.59 2r17 h ALA 669 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 54.91 55.01 2r17 h ALA 669 Cb 0.22 0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.14 2r17 h ALA 669 CO -0.00 -0.60 0.48 0.28 0.00 0.00 0.00 179.25 179.41 2r17 h VAL 670 N -0.18 0.94 0.00 0.00 2.07 -1.32 0.61 116.25 118.37 2r17 h VAL 670 Ca 0.03 -0.22 -0.19 0.00 0.82 0.00 0.00 66.70 67.14 2r17 h VAL 670 Cb 0.22 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 30.23 2r17 h VAL 670 CO -0.09 0.12 -0.87 0.77 0.02 0.00 0.00 177.57 177.52 2r17 h SER 671 N 0.64 0.24 -0.11 0.57 4.64 -1.17 -2.88 113.55 115.48 2r17 h SER 671 Ca 0.33 -0.19 -0.03 0.00 -0.47 0.00 0.00 61.79 61.42 2r17 h SER 671 Cb 0.45 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.45 2r17 h SER 671 CO -0.12 0.99 -0.01 0.74 -0.87 0.00 0.00 176.83 177.57 2r17 h THR 672 N 0.10 1.14 0.00 2.95 2.02 0.73 0.13 112.91 119.98 2r17 h THR 672 Ca -0.04 -0.56 0.00 0.00 0.77 0.00 0.00 66.41 66.58 2r17 h THR 672 Cb 1.49 0.99 0.00 0.00 -1.74 0.00 0.00 68.15 68.89 2r17 h THR 672 CO 0.13 0.19 0.00 0.00 0.37 0.00 0.00 175.52 176.21 2r17 h ALA 674 N 2.01 -0.19 -1.33 0.00 0.00 -0.78 0.85 119.26 119.82 2r17 h ALA 674 Ca 0.00 0.10 0.39 0.00 0.00 0.00 0.00 54.91 55.40 2r17 h ALA 674 Cb 0.12 0.71 -0.07 0.00 0.00 0.00 0.00 17.79 18.55 2r17 h ALA 674 CO 0.00 -0.73 0.94 0.45 0.00 0.00 0.00 179.25 179.91 2r17 h HIS 675 N -0.25 0.15 -0.07 0.00 3.86 -1.61 0.18 115.15 117.41 2r17 h HIS 675 Ca 0.17 0.01 -0.07 0.00 -1.16 0.00 0.00 60.37 59.32 2r17 h HIS 675 Cb 0.54 -0.04 -0.01 0.00 1.06 0.00 0.00 27.41 28.96 2r17 h HIS 675 CO -0.54 -0.01 -0.26 -0.07 0.86 0.00 0.00 177.93 177.90 2r17 h LEU 676 N 0.06 0.11 -0.23 2.43 3.38 -0.99 -1.12 115.31 118.96 2r17 h LEU 676 Ca 0.67 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.61 2r17 h LEU 676 Cb 2.48 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 43.20 2r17 h LEU 676 CO -0.09 0.38 -0.29 0.49 0.09 0.00 0.00 178.44 179.02 2r17 n PHE 677 N -4.19 0.00 -0.04 1.13 3.01 0.63 -3.19 117.46 114.81 2r17 n PHE 677 Ca -0.02 0.00 -0.08 0.00 1.01 0.00 0.00 57.45 58.37 2r17 n PHE 677 Cb 0.34 -0.21 -0.03 0.00 -0.01 0.00 0.00 39.48 39.58 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 -1.07 0.00 0.91 1.38 -0.00 -0.98 -0.70 117.44 116.98 2r17 n TRP 678 Ca 0.10 0.00 0.12 0.00 -0.00 0.00 0.00 57.50 57.72 2r17 n TRP 678 Cb 0.33 -0.33 0.18 0.00 -0.00 0.00 0.00 31.31 31.48 2r17 n TRP 678 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 177.69 176.56 2r17 n SER 679 N -3.93 0.59 -4.71 5.87 3.41 -0.46 -2.18 113.62 112.21 2r17 n SER 679 Ca -0.13 -0.30 -0.38 0.00 -0.26 0.00 0.00 58.87 57.81 2r17 n SER 679 Cb 0.38 0.38 0.05 0.00 -0.26 0.00 0.00 64.21 64.77 2r17 n SER 679 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2r17 n GLY 680 N 1.47 0.43 2.93 5.00 0.00 -1.19 -4.80 105.19 109.03 2r17 n GLY 680 Ca 0.05 -0.07 -0.25 0.00 0.00 0.00 0.00 46.02 45.75 2r17 n GLY 680 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2r17 s ARG 681 N -3.00 1.40 0.29 1.61 0.52 -1.26 -2.27 118.95 116.25 2r17 s ARG 681 Ca 0.76 -0.25 0.08 0.00 -0.52 0.00 0.00 55.73 55.80 2r17 s ARG 681 Cb -0.41 -1.37 -0.04 0.00 0.52 0.00 0.00 34.95 33.66 2r17 s ARG 681 CO 0.46 -0.15 0.16 0.54 0.02 0.00 0.00 175.30 176.33 2r17 s ASN 682 N 1.28 5.05 0.00 0.23 4.22 -1.26 -4.25 114.94 120.21 2r17 s ASN 682 Ca -0.04 -0.52 0.01 0.00 -2.14 0.00 0.00 52.86 50.17 2r17 s ASN 682 Cb -0.14 -1.02 0.06 0.00 1.28 0.00 0.00 41.25 41.43 2r17 s ASN 682 CO -0.03 -0.16 0.89 0.35 -2.04 0.00 0.00 177.10 176.11 2r17 n THR 683 N -1.15 0.00 -0.03 0.54 -2.24 -0.63 -3.75 114.28 107.02 2r17 n THR 683 Ca -0.05 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.59 2r17 n THR 683 Cb 0.59 -0.10 -0.14 0.00 -2.10 0.00 0.00 70.33 68.59 2r17 n THR 683 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2r17 n ASP 684 N -0.52 1.31 -0.65 3.42 8.00 -1.26 -3.84 116.55 123.01 2r17 n ASP 684 Ca 0.01 0.25 0.01 0.00 0.71 0.00 0.00 54.79 55.77 2r17 n ASP 684 Cb 0.00 -0.25 0.07 0.00 -0.02 0.00 0.00 41.12 40.92 2r17 n ASP 684 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2r17 n LYS 685 N -3.18 1.62 -3.69 -1.24 5.02 -1.25 -4.87 118.16 110.58 2r17 n LYS 685 Ca -0.27 -0.54 -0.28 0.00 -2.02 0.00 0.00 58.31 55.20 2r17 n LYS 685 Cb 1.06 -1.54 0.04 0.00 -0.02 0.00 0.00 35.03 34.57 2r17 n LYS 685 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 2r17 n ASN 686 N 0.07 -4.14 0.00 4.39 5.15 -1.25 -2.45 115.26 117.03 2r17 n ASN 686 Ca 0.05 -0.96 0.00 0.00 -0.60 0.00 0.00 54.58 53.07 2r17 n ASN 686 Cb 0.36 -3.59 0.00 0.00 -0.53 0.00 0.00 39.78 36.03 2r17 n ASN 686 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2r17 n GLY 687 N -1.67 2.87 3.84 8.20 0.00 -1.26 -5.05 105.19 112.12 2r17 n GLY 687 Ca -0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.55 2r17 n GLY 687 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2r17 s GLU 688 N -0.66 3.95 0.50 1.61 0.41 -1.03 -4.96 118.70 118.52 2r17 s GLU 688 Ca 0.00 0.91 -0.19 0.00 -0.41 0.00 0.00 54.97 55.27 2r17 s GLU 688 Cb 0.00 -2.17 -0.08 0.00 -1.78 0.00 0.00 34.13 30.10 2r17 s GLU 688 CO 0.00 -0.22 1.02 -1.21 -0.49 0.00 0.00 175.26 174.36 2r17 s GLU 689 N -3.98 3.81 0.35 1.61 2.02 -1.26 -4.32 118.70 116.93 2r17 s GLU 689 Ca 0.58 1.25 0.10 0.00 0.02 0.00 0.00 54.97 56.92 2r17 s GLU 689 Cb -0.10 -2.10 0.66 0.00 0.10 0.00 0.00 34.13 32.69 2r17 s GLU 689 CO 0.30 -0.41 1.81 1.37 0.02 0.00 0.00 175.26 178.36 2r17 h LEU 690 N 1.37 0.14 -3.54 1.80 8.10 -1.57 -3.47 115.31 118.14 2r17 h LEU 690 Ca -0.49 -0.05 -0.50 0.00 0.11 0.00 0.00 57.88 56.96 2r17 h LEU 690 Cb 1.21 -0.04 0.04 0.00 -0.44 0.00 0.00 40.66 41.43 2r17 h LEU 690 CO 0.59 0.46 -0.96 1.41 -4.11 0.00 0.00 178.44 175.83 2r17 n HIS 691 N -4.13 -1.72 -2.43 0.17 8.25 -0.93 -4.84 115.22 109.60 2r17 n HIS 691 Ca -0.01 0.31 -0.42 0.00 -0.26 0.00 0.00 57.72 57.34 2r17 n HIS 691 Cb 0.39 -3.14 0.01 0.00 1.12 0.00 0.00 29.99 28.36 2r17 n HIS 691 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2r17 n GLY 692 N -1.86 4.93 0.32 -1.41 0.00 0.12 -4.80 105.19 102.49 2r17 n GLY 692 Ca -0.11 -2.21 0.18 0.00 0.00 0.00 0.00 46.02 43.87 2r17 n GLY 692 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2r17 h GLY 693 N 7.08 1.53 0.36 -0.02 0.00 -1.88 0.16 103.07 110.30 2r17 h GLY 693 Ca 0.39 -0.01 0.05 0.00 0.00 0.00 0.00 47.33 47.76 2r17 h GLY 693 CO 1.55 -0.50 -0.18 0.07 0.00 0.00 0.00 176.54 177.48 2r17 h LYS 694 N 0.12 -0.21 0.00 4.80 -0.00 -1.96 -2.07 116.57 117.25 2r17 h LYS 694 Ca 0.63 0.01 -0.10 0.00 -0.00 0.00 0.00 60.65 61.20 2r17 h LYS 694 Cb 1.38 0.05 -0.01 0.00 -0.00 0.00 0.00 32.23 33.65 2r17 h LYS 694 CO -0.75 -0.14 -0.46 0.00 -0.00 0.00 0.00 179.45 178.10 2r17 h ARG 695 N -0.21 0.00 -0.83 0.07 3.08 -1.16 -2.61 114.38 112.71 2r17 h ARG 695 Ca 0.11 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.16 2r17 h ARG 695 Cb 0.37 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.42 2r17 h ARG 695 CO -0.29 0.46 0.00 0.28 -1.07 0.00 0.00 179.97 179.35 2r17 n VAL 696 N -3.80 0.11 0.00 2.04 0.31 -0.05 -1.84 118.33 115.10 2r17 n VAL 696 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 2r17 n VAL 696 Cb 0.51 -0.34 0.00 0.00 -0.91 0.00 0.00 33.84 33.10 2r17 n VAL 696 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2r17 n GLU 698 N 0.54 0.00 0.06 5.55 1.02 -0.98 -2.06 120.64 124.77 2r17 n GLU 698 Ca 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.01 2r17 n GLU 698 Cb 0.10 0.00 -0.08 0.00 -0.02 0.00 0.00 31.44 31.44 2r17 n GLU 698 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2r17 h LEU 700 N -0.23 0.00 0.57 0.00 3.38 -1.69 -1.50 115.31 115.84 2r17 h LEU 700 Ca -0.01 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 2r17 h LEU 700 Cb 0.20 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.95 2r17 h LEU 700 CO 0.02 0.31 -0.28 0.50 0.09 0.00 0.00 178.44 179.08 2r17 h LYS 701 N 0.00 -0.74 -0.84 1.13 3.64 -1.69 -0.18 116.57 117.88 2r17 h LYS 701 Ca -0.00 0.05 0.13 0.00 -1.27 0.00 0.00 60.65 59.55 2r17 h LYS 701 Cb 0.64 0.17 -0.06 0.00 -0.41 0.00 0.00 32.23 32.56 2r17 h LYS 701 CO 0.04 -0.44 0.55 0.87 -2.27 0.00 0.00 179.45 178.20 2r17 h LYS 702 N -0.96 0.66 -0.68 1.90 1.57 -0.63 0.16 116.57 118.59 2r17 h LYS 702 Ca -0.08 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.67 2r17 h LYS 702 Cb 0.65 -0.15 -0.04 0.00 0.08 0.00 0.00 32.23 32.77 2r17 h LYS 702 CO 0.13 0.44 0.45 0.00 -0.57 0.00 0.00 179.45 179.89 2r17 h ALA 703 N 1.60 0.87 -0.39 3.86 0.00 -0.85 -2.01 119.26 122.34 2r17 h ALA 703 Ca 0.41 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.28 2r17 h ALA 703 Cb 0.63 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 2r17 h ALA 703 CO -0.17 0.27 0.22 -0.07 0.00 0.00 0.00 179.25 179.50 2r17 h LEU 704 N 0.90 0.48 -0.70 0.00 3.38 0.12 -2.06 115.31 117.43 2r17 h LEU 704 Ca 0.26 -0.07 0.11 0.00 0.09 0.00 0.00 57.88 58.27 2r17 h LEU 704 Cb -0.07 -0.12 -0.08 0.00 0.09 0.00 0.00 40.66 40.47 2r17 h LEU 704 CO -0.07 0.41 0.30 0.50 0.09 0.00 0.00 178.44 179.67 2r17 h LYS 705 N 0.50 0.47 0.00 1.13 3.64 -0.92 0.39 116.57 121.78 2r17 h LYS 705 Ca 0.14 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.47 2r17 h LYS 705 Cb 0.03 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 31.74 2r17 h LYS 705 CO -0.02 0.31 -0.09 0.82 -2.27 0.00 0.00 179.45 178.19 2r17 h ILE 706 N 0.48 0.97 -0.10 2.00 2.04 -0.84 -2.70 117.51 119.36 2r17 h ILE 706 Ca 0.37 -0.34 -0.03 0.00 1.00 0.00 0.00 64.86 65.86 2r17 h ILE 706 Cb 0.48 1.19 -0.00 0.00 -0.74 0.00 0.00 36.82 37.75 2r17 h ILE 706 CO -0.34 0.09 -0.06 0.00 0.00 0.00 0.00 178.15 177.84 2r17 h ALA 707 N 1.91 0.14 0.00 1.87 0.00 0.42 -3.06 119.26 120.54 2r17 h ALA 707 Ca -0.00 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2r17 h ALA 707 Cb 0.18 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2r17 h ALA 707 CO 0.01 -0.07 0.06 0.09 0.00 0.00 0.00 179.25 179.34 2r17 n ASN 708 N -4.70 0.27 -0.01 0.00 3.02 -0.82 -1.72 115.26 111.30 2r17 n ASN 708 Ca -0.07 0.59 0.08 0.00 -0.03 0.00 0.00 54.58 55.15 2r17 n ASN 708 Cb 0.29 -0.61 -0.12 0.00 -0.61 0.00 0.00 39.78 38.73 2r17 n ASN 708 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2r17 n GLN 709 N -1.85 0.78 0.00 3.52 6.02 -1.17 -5.06 117.38 119.63 2r17 n GLN 709 Ca -0.01 -0.12 0.00 0.00 -0.01 0.00 0.00 57.00 56.87 2r17 n GLN 709 Cb 0.07 -1.35 0.00 0.00 1.02 0.00 0.00 30.24 29.99 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 0.00 0.00 0.11 0.00 2.03 -1.26 -4.88 116.55 112.55 2r17 n ASP 712 Ca 0.00 0.00 -0.13 0.00 0.52 0.00 0.00 54.79 55.18 2r17 n ASP 712 Cb 0.00 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 40.32 2r17 n ASP 712 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 2r17 h PRO 713 N 0.00 -0.61 -0.20 -0.67 0.11 -1.99 -0.02 132.00 128.62 2r17 h PRO 713 Ca 0.00 0.04 0.04 0.00 0.11 0.00 0.00 66.00 66.19 2r17 h PRO 713 Cb 0.00 0.14 -0.04 0.00 0.11 0.00 0.00 31.00 31.21 2r17 h PRO 713 CO 0.00 -0.40 -0.06 1.03 -0.21 0.00 0.00 178.00 178.36 2r17 h SER 714 N -0.63 -0.22 0.90 -2.05 0.87 -1.97 -2.67 113.55 107.78 2r17 h SER 714 Ca -0.01 0.06 -0.23 0.00 -1.23 0.00 0.00 61.79 60.39 2r17 h SER 714 Cb 0.62 0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 62.69 2r17 h SER 714 CO -0.21 -0.08 -1.08 -0.07 -0.53 0.00 0.00 176.83 174.86 2r17 h LEU 715 N -0.02 0.10 0.10 2.23 4.07 -1.97 -2.85 115.31 116.98 2r17 h LEU 715 Ca 0.10 -0.11 0.02 0.00 0.08 0.00 0.00 57.88 57.97 2r17 h LEU 715 Cb 0.17 -0.03 -0.04 0.00 1.08 0.00 0.00 40.66 41.84 2r17 h LEU 715 CO -0.22 1.08 -0.29 -0.61 -1.08 0.00 0.00 178.44 177.32 2r17 h GLN 716 N 0.02 -0.49 -0.02 1.13 -0.00 -0.90 0.28 115.11 115.13 2r17 h GLN 716 Ca -0.05 0.03 -0.00 0.00 -0.00 0.00 0.00 58.65 58.63 2r17 h GLN 716 Cb 1.82 0.11 -0.00 0.00 0.00 0.00 0.00 27.48 29.41 2r17 h GLN 716 CO 0.14 -0.32 0.01 0.28 0.00 0.00 0.00 178.83 178.94 2r17 h VAL 717 N -0.50 1.14 -0.84 2.39 2.07 -1.58 -2.59 116.25 116.34 2r17 h VAL 717 Ca 0.03 -0.40 0.20 0.00 0.82 0.00 0.00 66.70 67.36 2r17 h VAL 717 Cb 0.54 1.37 -0.05 0.00 -1.52 0.00 0.00 31.29 31.63 2r17 h VAL 717 CO -0.18 0.11 0.57 -0.61 0.02 0.00 0.00 177.57 177.47 2r17 h GLN 718 N -0.13 0.27 0.00 1.57 4.15 -1.24 0.99 115.11 120.71 2r17 h GLN 718 Ca 0.01 -0.02 -0.08 0.00 0.77 0.00 0.00 58.65 59.33 2r17 h GLN 718 Cb 0.17 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 27.79 2r17 h GLN 718 CO -0.00 0.18 -0.38 1.25 -1.93 0.00 0.00 178.83 177.95 2r17 h LEU 719 N 0.28 0.00 -0.06 -2.39 5.85 -0.62 -2.85 115.31 115.52 2r17 h LEU 719 Ca 0.42 0.00 -0.15 0.00 0.84 0.00 0.00 57.88 58.99 2r17 h LEU 719 Cb 1.22 0.00 0.01 0.00 0.37 0.00 0.00 40.66 42.26 2r17 h LEU 719 CO -0.11 0.38 -0.54 -0.26 -0.34 0.00 0.00 178.44 177.56 2r17 h PHE 720 N 0.00 0.67 -0.76 1.25 0.04 0.13 -2.30 116.94 115.96 2r17 h PHE 720 Ca -0.00 -0.32 -0.02 0.00 2.80 0.00 0.00 57.97 60.43 2r17 h PHE 720 Cb 1.09 -0.09 -0.04 0.00 2.20 0.00 0.00 35.95 39.11 2r17 h PHE 720 CO 0.00 1.11 0.40 0.82 -0.60 0.00 0.00 178.31 180.04 2r17 h ILE 721 N 0.03 1.23 -0.17 -0.55 2.04 -1.07 -0.63 117.51 118.39 2r17 h ILE 721 Ca -0.05 -0.60 -0.05 0.00 1.00 0.00 0.00 64.86 65.15 2r17 h ILE 721 Cb 1.21 0.22 -0.00 0.00 -0.74 0.00 0.00 36.82 37.51 2r17 h ILE 721 CO 0.11 0.27 -0.10 -0.33 0.00 0.00 0.00 178.15 178.10 2r17 h GLU 722 N 1.07 0.37 0.00 2.37 5.08 -1.53 -1.89 114.58 120.05 2r17 h GLU 722 Ca 0.27 -0.17 -0.02 0.00 -1.00 0.00 0.00 59.36 58.44 2r17 h GLU 722 Cb 0.06 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.30 2r17 h GLU 722 CO -0.04 0.69 -0.08 0.82 -1.00 0.00 0.00 179.01 179.40 2r17 h ILE 723 N 0.05 0.43 -0.10 3.13 2.04 -1.16 -1.70 117.51 120.20 2r17 h ILE 723 Ca 0.04 -0.43 -0.11 0.00 1.00 0.00 0.00 64.86 65.35 2r17 h ILE 723 Cb 0.58 1.30 0.00 0.00 -0.74 0.00 0.00 36.82 37.97 2r17 h ILE 723 CO 0.03 0.08 -0.38 0.25 0.00 0.00 0.00 178.15 178.13 2r17 h LEU 724 N 0.00 0.50 -1.10 1.44 7.12 -0.79 -2.11 115.31 120.37 2r17 h LEU 724 Ca -0.00 -0.63 -0.05 0.00 0.13 0.00 0.00 57.88 57.33 2r17 h LEU 724 Cb 0.29 -0.15 -0.02 0.00 -0.53 0.00 0.00 40.66 40.25 2r17 h LEU 724 CO 0.01 1.05 0.10 0.78 -0.13 0.00 0.00 178.44 180.25 2r17 h ASN 725 N -0.01 0.69 -0.67 1.25 2.35 -0.93 -1.72 115.58 116.54 2r17 h ASN 725 Ca -0.02 -0.12 -0.07 0.00 -0.55 0.00 0.00 56.30 55.54 2r17 h ASN 725 Cb 1.02 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 39.18 2r17 h ASN 725 CO 0.08 0.69 0.15 -0.09 -1.65 0.00 0.00 177.43 176.62 2r17 h ARG 726 N 0.71 1.09 -0.24 0.81 9.65 -1.27 0.77 114.38 125.90 2r17 h ARG 726 Ca 0.16 -0.26 -0.01 0.00 -1.10 0.00 0.00 59.98 58.77 2r17 h ARG 726 Cb 0.29 -0.14 -0.01 0.00 -1.39 0.00 0.00 29.97 28.72 2r17 h ARG 726 CO 0.00 0.97 0.13 1.88 2.80 0.00 0.00 179.97 185.75 2r17 h TYR 727 N 1.03 0.34 -0.86 2.20 -1.99 -0.86 -2.44 116.97 114.40 2r17 h TYR 727 Ca 0.21 -0.01 0.09 0.00 2.00 0.00 0.00 58.73 61.02 2r17 h TYR 727 Cb 0.38 -0.11 -0.07 0.00 2.00 0.00 0.00 36.73 38.93 2r17 h TYR 727 CO 0.03 0.31 0.51 0.82 -0.00 0.00 0.00 178.16 179.83 2r17 h ILE 728 N 0.28 0.94 -0.75 -2.88 2.04 -0.77 0.12 117.51 116.47 2r17 h ILE 728 Ca 0.09 -0.30 0.13 0.00 1.00 0.00 0.00 64.86 65.78 2r17 h ILE 728 Cb 0.09 -0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 36.07 2r17 h ILE 728 CO -0.01 0.16 0.33 0.22 0.00 0.00 0.00 178.15 178.85 2r17 h TYR 729 N 0.86 0.58 0.05 1.37 3.20 -0.37 -0.89 116.97 121.77 2r17 h TYR 729 Ca 0.41 0.03 -0.25 0.00 3.14 0.00 0.00 58.73 62.07 2r17 h TYR 729 Cb 0.35 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.45 2r17 h TYR 729 CO -0.05 0.12 -1.19 0.74 -1.64 0.00 0.00 178.16 176.14 2r17 h PHE 730 N 0.51 0.18 0.53 -3.82 -1.00 -1.16 -3.22 116.94 108.96 2r17 h PHE 730 Ca 0.40 -0.13 -0.02 0.00 2.81 0.00 0.00 57.97 61.04 2r17 h PHE 730 Cb 0.57 -0.01 -0.01 0.00 3.61 0.00 0.00 35.95 40.10 2r17 h PHE 730 CO -0.14 1.12 -0.41 -0.92 -1.61 0.00 0.00 178.31 176.35 2r17 h TYR 731 N 0.03 -1.09 0.00 -0.55 3.20 -0.16 -1.68 116.97 116.71 2r17 h TYR 731 Ca -0.10 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.77 2r17 h TYR 731 Cb 1.87 0.41 0.00 0.00 1.54 0.00 0.00 36.73 40.55 2r17 h TYR 731 CO 0.02 -0.59 0.00 0.39 -1.64 0.00 0.00 178.16 176.35 2r17 n GLU 732 N -5.52 0.10 -0.42 1.82 1.02 -0.40 -0.12 120.64 117.13 2r17 n GLU 732 Ca -0.12 0.20 0.11 0.00 -0.02 0.00 0.00 57.16 57.33 2r17 n GLU 732 Cb 0.41 -1.50 0.32 0.00 -0.02 0.00 0.00 31.44 30.66 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 -1.25 2.87 -3.25 3.49 4.76 -0.68 -4.93 118.16 119.17 2r17 n LYS 733 Ca 0.03 -2.62 -0.16 0.00 -2.87 0.00 0.00 58.31 52.70 2r17 n LYS 733 Cb 0.05 -1.63 0.06 0.00 -1.84 0.00 0.00 35.03 31.68 2r17 n LYS 733 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2r17 n GLU 734 N 1.49 -5.72 -2.92 1.97 1.02 0.83 -4.95 120.64 112.34 2r17 n GLU 734 Ca 0.24 0.64 -0.44 0.00 -0.02 0.00 0.00 57.16 57.59 2r17 n GLU 734 Cb 0.66 -5.10 -0.03 0.00 -0.02 0.00 0.00 31.44 26.95 2r17 n GLU 734 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 2r17 s ASN 735 N -3.57 6.55 0.31 1.62 2.47 -0.92 -4.91 114.94 116.48 2r17 s ASN 735 Ca 0.27 -1.87 0.21 0.00 0.42 0.00 0.00 52.86 51.89 2r17 s ASN 735 Cb -0.12 -2.40 1.09 0.00 -1.45 0.00 0.00 41.25 38.37 2r17 s ASN 735 CO 0.56 -1.12 1.18 -0.90 -3.72 0.00 0.00 177.10 173.11 2r17 n ASP 736 N 6.70 0.20 -0.23 -4.21 5.68 -1.26 -0.56 116.55 122.86 2r17 n ASP 736 Ca 0.19 1.12 0.02 0.00 -0.50 0.00 0.00 54.79 55.61 2r17 n ASP 736 Cb 0.48 -0.55 0.25 0.00 -1.14 0.00 0.00 41.12 40.16 2r17 n ASP 736 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2r17 h ALA 737 N 1.31 1.49 -0.86 2.12 0.00 -1.91 -3.36 119.26 118.05 2r17 h ALA 737 Ca 0.66 -0.05 -0.39 0.00 0.00 0.00 0.00 54.91 55.13 2r17 h ALA 737 Cb 1.99 -0.29 -0.06 0.00 0.00 0.00 0.00 17.79 19.42 2r17 h ALA 737 CO -0.43 0.45 0.98 0.08 0.00 0.00 0.00 179.25 180.33 2r17 s VAL 738 N -5.85 3.59 0.67 0.00 1.01 0.28 -4.96 120.40 115.13 2r17 s VAL 738 Ca -0.11 -0.46 -0.11 0.00 0.00 0.00 0.00 61.98 61.30 2r17 s VAL 738 Cb 0.18 -4.33 -0.01 0.00 0.00 0.00 0.00 36.38 32.23 2r17 s VAL 738 CO 0.79 -1.25 1.05 0.42 0.00 0.00 0.00 175.10 176.11 2r17 s THR 739 N 8.50 4.23 0.12 3.92 -4.23 -1.26 -4.82 115.64 122.10 2r17 s THR 739 Ca 0.62 0.72 0.22 0.00 -1.18 0.00 0.00 61.69 62.08 2r17 s THR 739 Cb -0.05 -3.61 0.20 0.00 1.34 0.00 0.00 72.50 70.37 2r17 s THR 739 CO -0.03 -0.95 1.78 -0.29 -0.54 0.00 0.00 174.62 174.59 2r17 h ILE 740 N -0.55 0.67 -0.76 2.99 2.10 -1.95 -2.86 117.51 117.15 2r17 h ILE 740 Ca -0.44 -1.29 -0.06 0.00 1.08 0.00 0.00 64.86 64.15 2r17 h ILE 740 Cb 1.21 1.85 -0.03 0.00 -1.09 0.00 0.00 36.82 38.76 2r17 h ILE 740 CO 0.60 0.28 0.24 1.56 -1.08 0.00 0.00 178.15 179.75 2r17 h GLN 741 N 0.00 1.17 -0.26 2.19 7.50 -1.99 -0.95 115.11 122.77 2r17 h GLN 741 Ca -0.00 -0.25 -0.02 0.00 0.50 0.00 0.00 58.65 58.88 2r17 h GLN 741 Cb 0.83 -0.17 -0.01 0.00 0.05 0.00 0.00 27.48 28.17 2r17 h GLN 741 CO 0.04 0.99 0.09 0.28 -1.50 0.00 0.00 178.83 178.73 2r17 h VAL 742 N 1.12 1.19 -0.59 -0.54 2.07 -1.89 -0.93 116.25 116.68 2r17 h VAL 742 Ca 0.25 -0.58 0.03 0.00 0.82 0.00 0.00 66.70 67.21 2r17 h VAL 742 Cb 0.30 1.08 -0.03 0.00 -1.52 0.00 0.00 31.29 31.12 2r17 h VAL 742 CO -0.01 0.19 0.39 -0.07 0.02 0.00 0.00 177.57 178.10 2r17 h LEU 743 N 0.26 0.61 -0.29 2.57 4.07 -1.43 -2.06 115.31 119.04 2r17 h LEU 743 Ca 0.09 -0.01 -0.10 0.00 0.08 0.00 0.00 57.88 57.94 2r17 h LEU 743 Cb 0.21 -0.14 -0.01 0.00 1.08 0.00 0.00 40.66 41.80 2r17 h LEU 743 CO -0.00 0.42 -0.19 0.78 -1.08 0.00 0.00 178.44 178.37 2r17 h ASN 744 N 0.71 0.67 -0.94 -0.43 2.35 -0.66 -1.32 115.58 115.96 2r17 h ASN 744 Ca 0.24 -0.43 -0.00 0.00 -0.55 0.00 0.00 56.30 55.55 2r17 h ASN 744 Cb 0.06 -0.19 -0.05 0.00 0.05 0.00 0.00 38.32 38.20 2r17 h ASN 744 CO -0.06 0.96 0.57 1.56 -1.65 0.00 0.00 177.43 178.80 2r17 h GLN 745 N 0.39 1.28 -0.11 0.81 4.20 -0.68 0.08 115.11 121.06 2r17 h GLN 745 Ca 0.06 -0.12 -0.23 0.00 0.06 0.00 0.00 58.65 58.42 2r17 h GLN 745 Cb 0.73 -0.27 0.01 0.00 0.30 0.00 0.00 27.48 28.25 2r17 h GLN 745 CO 0.05 0.89 -0.84 1.25 -0.67 0.00 0.00 178.83 179.51 2r17 h LEU 746 N 1.30 0.92 -0.92 1.46 5.85 -1.33 -2.25 115.31 120.34 2r17 h LEU 746 Ca 0.34 -0.64 -0.07 0.00 0.84 0.00 0.00 57.88 58.35 2r17 h LEU 746 Cb -0.06 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.68 2r17 h LEU 746 CO -0.06 1.44 -0.01 0.16 -0.34 0.00 0.00 178.44 179.62 2r17 h ILE 747 N 0.50 1.24 0.38 4.05 3.07 -1.01 -2.09 117.51 123.65 2r17 h ILE 747 Ca -0.07 -1.01 -0.02 0.00 1.55 0.00 0.00 64.86 65.31 2r17 h ILE 747 Cb 1.48 0.89 0.00 0.00 -0.27 0.00 0.00 36.82 38.92 2r17 h ILE 747 CO 0.17 0.35 -0.18 -0.61 -1.05 0.00 0.00 178.15 176.83 2r17 h GLN 748 N 0.73 -0.50 -0.92 0.16 4.15 -0.92 -1.74 115.11 116.07 2r17 h GLN 748 Ca 0.14 0.03 0.14 0.00 0.77 0.00 0.00 58.65 59.74 2r17 h GLN 748 Cb 0.46 0.11 -0.09 0.00 0.21 0.00 0.00 27.48 28.17 2r17 h GLN 748 CO 0.02 -0.25 0.53 0.87 -1.93 0.00 0.00 178.83 178.07 2r17 h LYS 749 N -0.66 0.75 0.00 1.69 1.57 -1.33 0.33 116.57 118.92 2r17 h LYS 749 Ca -0.05 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.65 2r17 h LYS 749 Cb 0.48 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.61 2r17 h LYS 749 CO 0.09 0.50 -0.13 0.82 -0.57 0.00 0.00 179.45 180.15 2r17 h ILE 750 N 0.77 0.80 -0.11 1.86 2.04 -1.09 -2.20 117.51 119.59 2r17 h ILE 750 Ca 0.49 -0.52 -0.21 0.00 1.00 0.00 0.00 64.86 65.62 2r17 h ILE 750 Cb 0.62 1.31 0.01 0.00 -0.74 0.00 0.00 36.82 38.02 2r17 h ILE 750 CO -0.33 0.13 -0.75 0.03 0.00 0.00 0.00 178.15 177.24 2r17 h ARG 751 N 0.00 0.70 0.00 2.37 3.08 0.53 -1.08 114.38 119.99 2r17 h ARG 751 Ca -0.00 -0.61 0.00 0.00 0.07 0.00 0.00 59.98 59.44 2r17 h ARG 751 Cb 0.30 0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.48 2r17 h ARG 751 CO 0.02 1.22 0.00 0.39 -1.07 0.00 0.00 179.97 180.52 2r17 n GLU 752 N -4.01 0.74 0.00 0.04 1.02 -0.63 -3.92 120.64 113.88 2r17 n GLU 752 Ca -0.08 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.06 2r17 n GLU 752 Cb 0.73 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.66 2r17 n GLU 752 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2r17 n ASP 753 N -0.99 2.83 -0.33 1.62 8.00 -1.00 -4.81 116.55 121.87 2r17 n ASP 753 Ca 0.17 0.00 0.16 0.00 0.71 0.00 0.00 54.79 55.84 2r17 n ASP 753 Cb 0.08 0.14 0.39 0.00 -0.02 0.00 0.00 41.12 41.72 2r17 n ASP 753 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 2r17 h LEU 754 N 0.00 0.65 -1.66 0.64 5.85 -1.31 -2.60 115.31 116.88 2r17 h LEU 754 Ca 0.00 0.09 0.05 0.00 0.84 0.00 0.00 57.88 58.86 2r17 h LEU 754 Cb 0.64 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.62 2r17 h LEU 754 CO 0.00 0.20 0.30 -0.65 -0.34 0.00 0.00 178.44 177.95 2r17 h PRO 755 N 0.62 0.42 -3.00 5.25 0.11 -1.84 -3.33 132.00 130.23 2r17 h PRO 755 Ca 0.58 -0.03 -0.70 0.00 0.11 0.00 0.00 66.00 65.96 2r17 h PRO 755 Cb 1.10 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 32.09 2r17 h PRO 755 CO -0.35 0.28 3.32 0.09 -0.21 0.00 0.00 178.00 181.13 2r17 n ASN 756 N -4.48 7.99 -4.00 -2.05 3.02 -0.98 -4.89 115.26 109.88 2r17 n ASN 756 Ca 0.05 -2.78 -0.13 0.00 -0.03 0.00 0.00 54.58 51.70 2r17 n ASN 756 Cb 0.20 -1.51 -0.13 0.00 -0.61 0.00 0.00 39.78 37.74 2r17 n ASN 756 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2r17 s LEU 757 N -0.30 2.14 0.17 3.41 1.43 -1.25 -4.92 118.68 119.36 2r17 s LEU 757 Ca 0.62 -0.33 -0.30 0.00 -1.03 0.00 0.00 54.13 53.09 2r17 s LEU 757 Cb 0.17 -0.15 -0.08 0.00 0.03 0.00 0.00 46.19 46.17 2r17 s LEU 757 CO -0.07 -0.10 1.14 -1.61 0.23 0.00 0.00 176.35 175.93 2r17 s GLU 758 N -0.91 4.55 -0.24 1.70 2.02 -1.26 -4.90 118.70 119.65 2r17 s GLU 758 Ca -0.06 1.77 -0.40 0.00 0.02 0.00 0.00 54.97 56.31 2r17 s GLU 758 Cb -0.06 -3.27 -0.16 0.00 0.10 0.00 0.00 34.13 30.74 2r17 s GLU 758 CO -0.00 -0.00 1.69 0.43 0.02 0.00 0.00 175.26 177.40 2r17 n SER 759 N 2.50 2.26 -4.13 -0.19 7.64 -1.26 -4.62 113.62 115.82 2r17 n SER 759 Ca 0.04 1.08 -0.11 0.00 1.01 0.00 0.00 58.87 60.89 2r17 n SER 759 Cb 0.46 -1.14 -0.09 0.00 -1.01 0.00 0.00 64.21 62.43 2r17 n SER 759 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2r17 s SER 760 N 3.16 0.12 0.32 6.43 0.01 -1.26 -4.95 113.70 117.52 2r17 s SER 760 Ca 0.97 -1.22 0.07 0.00 1.31 0.00 0.00 55.95 57.08 2r17 s SER 760 Cb -1.07 0.41 0.53 0.00 0.21 0.00 0.00 66.02 66.10 2r17 s SER 760 CO 0.64 -0.89 1.74 -0.08 0.41 0.00 0.00 173.24 175.07 2r17 h GLU 761 N 2.58 0.22 0.00 12.44 4.57 -2.01 -2.91 114.58 129.48 2r17 h GLU 761 Ca -0.34 -0.09 -0.03 0.00 -1.18 0.00 0.00 59.36 57.72 2r17 h GLU 761 Cb 1.24 -0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 29.82 2r17 h GLU 761 CO 0.50 0.56 -0.31 0.93 -1.18 0.00 0.00 179.01 179.51 2r17 h GLU 762 N 0.19 0.00 -1.53 1.92 5.08 -1.94 -3.30 114.58 115.00 2r17 h GLU 762 Ca 0.02 0.00 0.46 0.00 -1.00 0.00 0.00 59.36 58.84 2r17 h GLU 762 Cb 0.73 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.89 2r17 h GLU 762 CO 0.06 0.29 1.06 0.00 -1.00 0.00 0.00 179.01 179.42 2r17 h THR 763 N -1.00 0.16 -0.09 1.13 1.03 -1.82 0.96 112.91 113.28 2r17 h THR 763 Ca -0.04 -0.02 -0.21 0.00 -0.01 0.00 0.00 66.41 66.13 2r17 h THR 763 Cb 0.48 0.11 0.01 0.00 -1.07 0.00 0.00 68.15 67.68 2r17 h THR 763 CO -0.03 0.01 -0.76 -0.08 -0.01 0.00 0.00 175.52 174.65 2r17 h GLU 764 N 0.05 0.68 -0.01 0.00 4.81 -1.66 -3.18 114.58 115.27 2r17 h GLU 764 Ca 0.80 -0.61 -0.06 0.00 -0.13 0.00 0.00 59.36 59.36 2r17 h GLU 764 Cb 2.92 0.14 -0.01 0.00 0.63 0.00 0.00 28.75 32.43 2r17 h GLU 764 CO -0.16 1.22 -0.29 1.96 -0.73 0.00 0.00 179.01 181.00 2r17 h GLN 765 N 0.36 0.01 0.00 1.92 4.20 0.83 -1.65 115.11 120.78 2r17 h GLN 765 Ca -0.07 -0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.62 2r17 h GLN 765 Cb 1.41 -0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.19 2r17 h GLN 765 CO 0.16 0.31 -0.09 0.82 -0.67 0.00 0.00 178.83 179.35 2r17 h ILE 766 N 0.01 0.20 0.08 2.54 2.04 -1.27 0.87 117.51 121.99 2r17 h ILE 766 Ca -0.00 -0.84 -0.15 0.00 1.00 0.00 0.00 64.86 64.86 2r17 h ILE 766 Cb 0.53 1.70 0.00 0.00 -0.74 0.00 0.00 36.82 38.31 2r17 h ILE 766 CO 0.04 0.09 -0.74 0.78 0.00 0.00 0.00 178.15 178.32 2r17 h ASN 767 N 0.00 0.26 -0.73 1.72 2.35 -1.35 -2.61 115.58 115.23 2r17 h ASN 767 Ca -0.00 -0.90 0.07 0.00 -0.55 0.00 0.00 56.30 54.91 2r17 h ASN 767 Cb 0.70 -0.08 -0.06 0.00 0.05 0.00 0.00 38.32 38.92 2r17 h ASN 767 CO 0.01 1.33 0.41 0.50 -1.65 0.00 0.00 177.43 178.04 2r17 h LYS 768 N -0.62 0.73 0.14 0.81 1.63 -1.15 0.52 116.57 118.64 2r17 h LYS 768 Ca -0.15 -0.04 -0.01 0.00 -0.85 0.00 0.00 60.65 59.60 2r17 h LYS 768 Cb 1.44 -0.16 -0.00 0.00 -0.60 0.00 0.00 32.23 32.90 2r17 h LYS 768 CO 0.05 0.48 -0.08 1.25 -3.45 0.00 0.00 179.45 177.70 2r17 h HIS 769 N 0.75 -0.21 -0.73 1.91 2.76 -0.91 0.51 115.15 119.22 2r17 h HIS 769 Ca 0.33 -0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.47 2r17 h HIS 769 Cb 0.21 0.07 -0.03 0.00 1.55 0.00 0.00 27.41 29.21 2r17 h HIS 769 CO -0.07 -0.13 0.38 0.35 -1.30 0.00 0.00 177.93 177.16 2r17 h PHE 770 N -0.21 1.02 -0.38 5.26 3.57 -0.97 -0.90 116.94 124.33 2r17 h PHE 770 Ca -0.02 -0.03 -0.14 0.00 3.53 0.00 0.00 57.97 61.31 2r17 h PHE 770 Cb 0.17 -0.32 -0.01 0.00 2.79 0.00 0.00 35.95 38.58 2r17 h PHE 770 CO -0.08 0.73 -0.31 0.45 -2.23 0.00 0.00 178.31 176.86 2r17 h HIS 771 N 1.03 1.04 -0.73 0.41 3.86 0.53 -0.19 115.15 121.11 2r17 h HIS 771 Ca 0.26 -0.30 0.06 0.00 -1.16 0.00 0.00 60.37 59.23 2r17 h HIS 771 Cb 0.07 -0.23 -0.06 0.00 1.06 0.00 0.00 27.41 28.25 2r17 h HIS 771 CO 0.01 1.10 0.42 -0.91 0.86 0.00 0.00 177.93 179.41 2r17 h ASN 772 N 0.69 0.64 -0.58 2.45 4.21 0.45 0.65 115.58 124.09 2r17 h ASN 772 Ca 0.07 0.03 -0.05 0.00 1.21 0.00 0.00 56.30 57.56 2r17 h ASN 772 Cb 0.90 -0.10 -0.02 0.00 -1.12 0.00 0.00 38.32 37.97 2r17 h ASN 772 CO 0.08 0.41 0.18 0.74 -1.29 0.00 0.00 177.43 177.55 2r17 h THR 773 N 0.77 1.24 -0.05 2.81 2.02 -0.83 -0.48 112.91 118.39 2r17 h THR 773 Ca 0.32 -0.82 -0.17 0.00 0.77 0.00 0.00 66.41 66.51 2r17 h THR 773 Cb 0.18 0.68 -0.01 0.00 -1.74 0.00 0.00 68.15 67.26 2r17 h THR 773 CO -0.18 0.31 -0.70 -0.07 0.37 0.00 0.00 175.52 175.25 2r17 h LEU 774 N 0.81 0.29 -1.04 2.58 3.38 -0.16 -2.53 115.31 118.64 2r17 h LEU 774 Ca 0.19 -0.19 -0.09 0.00 0.09 0.00 0.00 57.88 57.87 2r17 h LEU 774 Cb 0.29 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 2r17 h LEU 774 CO -0.00 0.90 -0.34 -0.08 0.09 0.00 0.00 178.44 179.00 2r17 h GLU 775 N 0.17 0.25 -0.24 1.13 4.81 0.52 -1.77 114.58 119.45 2r17 h GLU 775 Ca -0.02 -0.10 -0.10 0.00 -0.13 0.00 0.00 59.36 59.01 2r17 h GLU 775 Cb 1.25 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.61 2r17 h GLU 775 CO 0.11 0.57 -0.28 1.25 -0.73 0.00 0.00 179.01 179.92 2r17 h HIS 776 N 0.22 0.54 -0.00 0.92 2.76 -0.81 -2.03 115.15 116.74 2r17 h HIS 776 Ca 0.03 -0.12 0.00 0.00 -2.20 0.00 0.00 60.37 58.08 2r17 h HIS 776 Cb 0.71 -0.13 0.00 0.00 1.55 0.00 0.00 27.41 29.54 2r17 h HIS 776 CO 0.01 0.71 -0.03 1.28 -1.30 0.00 0.00 177.93 178.60 2r17 n LEU 777 N -4.10 0.19 0.00 0.26 4.77 -0.90 -4.89 117.00 112.33 2r17 n LEU 777 Ca -0.01 0.10 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 2r17 n LEU 777 Cb 0.42 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 2r17 n LEU 777 CO 0.42 0.03 0.00 0.54 -1.33 0.00 0.00 177.39 177.06 2r17 n ARG 778 N -1.06 -0.19 -0.39 3.23 1.74 -0.76 -4.88 116.66 114.35 2r17 n ARG 778 Ca 0.17 0.05 0.03 0.00 -0.77 0.00 0.00 57.85 57.32 2r17 n ARG 778 Cb 0.22 -3.12 0.17 0.00 -1.02 0.00 0.00 32.46 28.71 2r17 n ARG 778 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2r17 n LEU 779 N 0.00 3.07 0.00 0.55 4.77 -0.72 -5.00 117.00 119.67 2r17 n LEU 779 Ca 0.00 -1.55 0.00 0.00 -0.03 0.00 0.00 56.01 54.43 2r17 n LEU 779 Cb 0.05 -0.58 0.00 0.00 -2.33 0.00 0.00 43.42 40.56 2r17 n LEU 779 CO 0.00 0.42 0.00 -1.14 -1.33 0.00 0.00 177.39 175.34