#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2byc h MET 501 N 0.00 0.00 0.00 -4.13 2.86 -2.01 -3.09 114.93 108.57 2byc h MET 501 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2byc h MET 501 Cb 0.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.66 2byc h MET 501 CO 0.00 0.00 -0.97 -0.25 1.06 0.00 0.00 176.91 176.75 2byc n ASP 502 N -4.19 0.84 -4.59 1.22 8.00 -1.26 -0.93 116.55 115.64 2byc n ASP 502 Ca 0.12 -0.74 -0.39 0.00 0.71 0.00 0.00 54.79 54.49 2byc n ASP 502 Cb 0.72 1.14 0.03 0.00 -0.02 0.00 0.00 41.12 42.99 2byc n ASP 502 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2byc n GLU 503 N -1.52 1.04 -2.21 -1.24 -0.58 -1.17 -4.25 120.64 110.71 2byc n GLU 503 Ca 0.02 0.39 -0.41 0.00 -0.42 0.00 0.00 57.16 56.73 2byc n GLU 503 Cb 0.30 -2.04 -0.03 0.00 -0.57 0.00 0.00 31.44 29.10 2byc n GLU 503 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2byc s LEU 504 N -0.93 4.41 0.09 -4.62 2.01 -1.26 -0.50 118.68 117.89 2byc s LEU 504 Ca 0.69 2.41 -0.01 0.00 0.01 0.00 0.00 54.13 57.24 2byc s LEU 504 Cb -0.48 -3.61 -0.04 0.00 0.01 0.00 0.00 46.19 42.07 2byc s LEU 504 CO 0.52 -0.53 0.00 0.68 1.01 0.00 0.00 176.35 178.03 2byc s VAL 505 N 0.10 0.24 -0.04 -1.59 -7.23 -0.32 -1.60 120.40 109.96 2byc s VAL 505 Ca 0.57 -1.87 0.06 0.00 -1.81 0.00 0.00 61.98 58.92 2byc s VAL 505 Cb -0.37 -1.78 -0.01 0.00 0.56 0.00 0.00 36.38 34.78 2byc s VAL 505 CO 0.39 -0.74 -0.22 -0.55 -0.31 0.00 0.00 175.10 173.66 2byc s SER 506 N -3.00 2.66 -0.08 4.85 0.15 -0.09 -1.30 113.70 116.89 2byc s SER 506 Ca 0.15 -0.43 0.03 0.00 0.70 0.00 0.00 55.95 56.41 2byc s SER 506 Cb 0.07 -0.57 0.01 0.00 -1.71 0.00 0.00 66.02 63.82 2byc s SER 506 CO -0.04 0.23 -0.18 -0.22 1.20 0.00 0.00 173.24 174.23 2byc s LEU 507 N -0.24 1.87 -0.00 3.45 0.20 0.06 -1.26 118.68 122.75 2byc s LEU 507 Ca 0.01 -0.42 0.08 0.00 0.69 0.00 0.00 54.13 54.49 2byc s LEU 507 Cb -0.11 -1.10 -0.02 0.00 -0.43 0.00 0.00 46.19 44.53 2byc s LEU 507 CO 0.02 0.10 -0.25 -0.89 -0.29 0.00 0.00 176.35 175.04 2byc s THR 508 N 0.44 2.14 0.10 3.68 2.01 -0.65 -0.38 115.64 122.98 2byc s THR 508 Ca -0.15 -1.16 -0.02 0.00 0.31 0.00 0.00 61.69 60.67 2byc s THR 508 Cb -0.16 -1.77 -0.03 0.00 0.01 0.00 0.00 72.50 70.54 2byc s THR 508 CO 0.06 0.52 0.06 -0.72 -0.69 0.00 0.00 174.62 173.85 2byc s TYR 509 N -0.67 0.66 -0.00 4.92 -0.85 -0.39 -0.35 117.35 120.67 2byc s TYR 509 Ca 0.11 -1.10 0.04 0.00 -0.52 0.00 0.00 57.07 55.60 2byc s TYR 509 Cb -0.10 -0.39 -0.01 0.00 0.38 0.00 0.00 41.96 41.84 2byc s TYR 509 CO -0.00 -0.49 -0.14 0.50 -1.52 0.00 0.00 175.55 173.90 2byc s ARG 510 N -3.99 1.12 0.18 -3.49 3.52 0.09 -1.44 118.95 114.95 2byc s ARG 510 Ca 0.17 -0.54 -0.07 0.00 -0.13 0.00 0.00 55.73 55.16 2byc s ARG 510 Cb 0.07 -1.09 -0.02 0.00 -1.56 0.00 0.00 34.95 32.35 2byc s ARG 510 CO -0.03 0.30 0.25 -1.54 -0.81 0.00 0.00 175.30 173.46 2byc s SER 511 N -0.44 0.09 -0.18 -2.12 1.04 0.30 -1.04 113.70 111.34 2byc s SER 511 Ca 0.05 -1.05 -0.11 0.00 0.48 0.00 0.00 55.95 55.33 2byc s SER 511 Cb -0.06 0.43 -0.05 0.00 0.10 0.00 0.00 66.02 66.44 2byc s SER 511 CO -0.00 -0.90 0.17 -0.60 0.98 0.00 0.00 173.24 172.89 2byc s ARG 512 N -4.03 4.14 0.35 4.02 3.52 0.15 -1.18 118.95 125.92 2byc s ARG 512 Ca 0.24 -0.13 -0.27 0.00 -0.13 0.00 0.00 55.73 55.44 2byc s ARG 512 Cb 0.04 -3.40 -0.09 0.00 -1.56 0.00 0.00 34.95 29.94 2byc s ARG 512 CO 0.04 0.33 1.10 0.14 -0.81 0.00 0.00 175.30 176.10 2byc s VAL 513 N 0.25 3.50 -0.43 7.11 -7.23 -0.85 -0.15 120.40 122.61 2byc s VAL 513 Ca 0.11 1.33 0.04 0.00 -1.81 0.00 0.00 61.98 61.64 2byc s VAL 513 Cb -0.12 -3.78 0.17 0.00 0.56 0.00 0.00 36.38 33.22 2byc s VAL 513 CO 0.00 0.18 0.34 -0.60 -0.31 0.00 0.00 175.10 174.71 2byc s ARG 514 N -1.98 0.99 -0.14 4.82 3.52 0.57 -4.82 118.95 121.91 2byc s ARG 514 Ca 0.52 -2.13 0.03 0.00 -0.13 0.00 0.00 55.73 54.01 2byc s ARG 514 Cb -0.28 -1.57 0.01 0.00 -1.56 0.00 0.00 34.95 31.55 2byc s ARG 514 CO 0.36 -1.36 -0.22 -0.51 -0.81 0.00 0.00 175.30 172.76 2byc s LEU 515 N 0.04 2.14 0.32 -0.88 1.43 -1.26 -4.22 118.68 116.25 2byc s LEU 515 Ca 0.31 -0.59 0.12 0.00 -1.03 0.00 0.00 54.13 52.94 2byc s LEU 515 Cb 0.01 -1.45 0.54 0.00 0.03 0.00 0.00 46.19 45.31 2byc s LEU 515 CO -0.18 0.09 1.71 0.00 0.23 0.00 0.00 176.35 178.21 2byc h ALA 516 N 7.23 1.14 -1.83 4.21 0.00 -1.98 -3.40 119.26 124.63 2byc h ALA 516 Ca -0.30 -0.45 -0.31 0.00 0.00 0.00 0.00 54.91 53.84 2byc h ALA 516 Cb 1.20 -0.08 -0.30 0.00 0.00 0.00 0.00 17.79 18.61 2byc h ALA 516 CO 0.54 0.62 -0.64 0.34 0.00 0.00 0.00 179.25 180.11 2byc s ASP 517 N -6.84 0.82 0.25 0.00 2.15 -1.26 -5.03 116.67 106.76 2byc s ASP 517 Ca -0.02 -1.32 -0.03 0.00 0.43 0.00 0.00 52.55 51.61 2byc s ASP 517 Cb 0.13 0.77 0.48 0.00 -0.30 0.00 0.00 42.92 44.00 2byc s ASP 517 CO 0.74 -0.27 1.75 -0.65 -0.17 0.00 0.00 175.17 176.57 2byc h PRO 518 N 7.24 0.53 -0.06 4.34 0.11 -1.98 0.14 132.00 142.31 2byc h PRO 518 Ca 0.02 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.08 2byc h PRO 518 Cb 1.08 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.07 2byc h PRO 518 CO 0.20 0.35 -0.04 -0.39 -0.21 0.00 0.00 178.00 177.91 2byc h VAL 519 N 0.54 1.34 -0.41 3.15 -1.51 -1.98 -0.75 116.25 116.64 2byc h VAL 519 Ca 0.43 -1.10 -0.13 0.00 -1.23 0.00 0.00 66.70 64.67 2byc h VAL 519 Cb 0.62 1.95 -0.01 0.00 -2.13 0.00 0.00 31.29 31.72 2byc h VAL 519 CO -0.37 0.30 -0.27 0.00 -1.23 0.00 0.00 177.57 176.00 2byc h ALA 520 N 0.59 0.74 -0.05 5.19 0.00 -1.86 -1.09 119.26 122.78 2byc h ALA 520 Ca 0.01 -0.40 -0.20 0.00 0.00 0.00 0.00 54.91 54.32 2byc h ALA 520 Cb 0.50 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 2byc h ALA 520 CO 0.01 0.66 -0.80 -0.44 0.00 0.00 0.00 179.25 178.68 2byc h ASP 521 N 0.74 0.48 0.66 0.00 3.32 -0.75 -1.57 116.42 119.30 2byc h ASP 521 Ca 0.09 -0.34 -0.22 0.00 0.02 0.00 0.00 57.03 56.57 2byc h ASP 521 Cb 0.83 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.23 2byc h ASP 521 CO 0.07 1.10 -1.01 0.40 -1.72 0.00 0.00 179.24 178.08 2byc h ILE 522 N 0.25 1.53 0.12 0.35 2.04 -0.96 -1.81 117.51 119.03 2byc h ILE 522 Ca -0.05 -2.89 -0.01 0.00 1.00 0.00 0.00 64.86 62.92 2byc h ILE 522 Cb 1.40 2.68 0.00 0.00 -0.74 0.00 0.00 36.82 40.16 2byc h ILE 522 CO 0.14 0.84 -0.06 0.58 0.00 0.00 0.00 178.15 179.65 2byc h VAL 523 N 0.08 0.89 -0.64 1.67 2.07 -1.16 -0.99 116.25 118.19 2byc h VAL 523 Ca -0.07 -0.05 0.10 0.00 0.82 0.00 0.00 66.70 67.51 2byc h VAL 523 Cb 1.70 0.92 -0.08 0.00 -1.52 0.00 0.00 31.29 32.32 2byc h VAL 523 CO 0.16 0.01 0.24 1.56 0.02 0.00 0.00 177.57 179.56 2byc h GLN 524 N -0.19 0.41 -0.64 1.57 4.20 -1.27 -1.57 115.11 117.63 2byc h GLN 524 Ca -0.02 -0.02 -0.07 0.00 0.06 0.00 0.00 58.65 58.60 2byc h GLN 524 Cb 0.14 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 27.81 2byc h GLN 524 CO 0.03 0.27 0.13 0.82 -0.67 0.00 0.00 178.83 179.41 2byc h ILE 525 N 0.42 1.26 -0.39 2.54 2.04 -1.05 0.23 117.51 122.56 2byc h ILE 525 Ca 0.33 -0.97 -0.14 0.00 1.00 0.00 0.00 64.86 65.07 2byc h ILE 525 Cb 0.41 0.65 -0.01 0.00 -0.74 0.00 0.00 36.82 37.14 2byc h ILE 525 CO -0.32 0.37 -0.29 0.24 0.00 0.00 0.00 178.15 178.15 2byc h MET 526 N 0.96 0.88 -0.06 2.37 2.86 -0.97 -0.26 114.93 120.72 2byc h MET 526 Ca 0.20 -0.43 -0.00 0.00 -2.06 0.00 0.00 59.70 57.41 2byc h MET 526 Cb 0.39 -0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.05 2byc h MET 526 CO 0.01 1.08 0.04 -0.09 1.06 0.00 0.00 176.91 179.00 2byc h ARG 527 N 0.70 0.09 -0.20 1.72 2.43 -1.11 -1.44 114.38 116.56 2byc h ARG 527 Ca 0.07 -0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.28 2byc h ARG 527 Cb 0.87 -0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 30.35 2byc h ARG 527 CO 0.08 0.12 -0.10 0.00 -1.51 0.00 0.00 179.97 178.55 2byc h ALA 528 N 0.96 0.06 -0.44 2.80 0.00 -0.85 -3.17 119.26 118.62 2byc h ALA 528 Ca 0.02 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 2byc h ALA 528 Cb 0.05 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 2byc h ALA 528 CO -0.00 -0.53 0.20 0.66 0.00 0.00 0.00 179.25 179.58 2byc h SER 529 N -0.09 0.59 -1.19 0.00 4.64 -1.03 -0.82 113.55 115.66 2byc h SER 529 Ca 0.11 -0.14 0.34 0.00 -0.47 0.00 0.00 61.79 61.63 2byc h SER 529 Cb 0.25 -0.15 -0.07 0.00 -0.31 0.00 0.00 62.40 62.12 2byc h SER 529 CO -0.25 0.57 0.82 -0.09 -0.87 0.00 0.00 176.83 177.01 2byc h ARG 530 N 0.57 0.12 0.00 4.77 9.65 -1.23 -1.33 114.38 126.93 2byc h ARG 530 Ca 0.15 -0.01 -0.15 0.00 -1.10 0.00 0.00 59.98 58.87 2byc h ARG 530 Cb 0.14 -0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 28.67 2byc h ARG 530 CO -0.02 0.08 -1.33 0.28 2.80 0.00 0.00 179.97 181.78 2byc n VAL 531 N -4.35 1.49 0.05 0.20 0.31 -1.06 -4.35 118.33 110.64 2byc n VAL 531 Ca 0.27 -0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.49 2byc n VAL 531 Cb 1.19 -2.20 -0.04 0.00 -0.91 0.00 0.00 33.84 31.88 2byc n VAL 531 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 2byc h ARG 532 N -1.00 -0.27 -0.11 5.55 2.43 -1.07 -3.13 114.38 116.78 2byc h ARG 532 Ca -0.23 0.02 0.02 0.00 -0.81 0.00 0.00 59.98 58.98 2byc h ARG 532 Cb 1.10 0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 30.67 2byc h ARG 532 CO -0.14 -0.18 -0.29 -0.91 -1.51 0.00 0.00 179.97 176.95 2byc h ASN 533 N -0.28 -0.92 -0.66 -3.80 4.21 -1.47 -1.23 115.58 111.43 2byc h ASN 533 Ca 0.06 0.11 0.11 0.00 1.21 0.00 0.00 56.30 57.79 2byc h ASN 533 Cb 0.35 0.36 -0.11 0.00 -1.12 0.00 0.00 38.32 37.81 2byc h ASN 533 CO -0.17 -0.24 -0.24 -0.11 -1.29 0.00 0.00 177.43 175.37 2byc n LEU 534 N -4.07 -0.40 0.24 1.61 7.94 -1.24 0.09 117.00 121.17 2byc n LEU 534 Ca -0.03 1.15 0.10 0.00 -1.11 0.00 0.00 56.01 56.12 2byc n LEU 534 Cb 0.19 -0.28 0.59 0.00 0.53 0.00 0.00 43.42 44.46 2byc n LEU 534 CO 0.03 -1.05 0.89 -0.09 -1.11 0.00 0.00 177.39 176.07 2byc h ARG 535 N 0.00 0.00 -0.01 1.96 2.43 -1.42 -2.59 114.38 114.75 2byc h ARG 535 Ca 0.24 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.41 2byc h ARG 535 Cb 0.41 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.96 2byc h ARG 535 CO -0.66 0.19 -0.47 1.28 -1.51 0.00 0.00 179.97 178.80 2byc n LEU 536 N -3.68 1.95 -0.28 3.80 4.77 0.11 -4.96 117.00 118.72 2byc n LEU 536 Ca -0.01 -0.75 0.00 0.00 -0.03 0.00 0.00 56.01 55.21 2byc n LEU 536 Cb 0.31 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.40 2byc n LEU 536 CO 0.32 0.37 0.00 0.61 -1.33 0.00 0.00 177.39 177.36 2byc n GLY 537 N 1.38 0.72 3.55 -0.72 0.00 0.10 -4.77 105.19 105.45 2byc n GLY 537 Ca 0.09 -0.76 -0.34 0.00 0.00 0.00 0.00 46.02 45.01 2byc n GLY 537 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2byc s ILE 538 N -2.56 3.60 0.15 -0.61 -1.09 -0.43 -4.29 121.20 115.96 2byc s ILE 538 Ca 0.00 -0.51 0.05 0.00 -2.23 0.00 0.00 60.65 57.96 2byc s ILE 538 Cb 0.00 -2.48 -0.04 0.00 -1.58 0.00 0.00 42.46 38.36 2byc s ILE 538 CO 0.00 0.58 -0.11 0.42 -1.23 0.00 0.00 174.94 174.60 2byc s THR 539 N -0.62 1.25 -4.12 2.92 -4.23 -0.79 -3.88 115.64 106.17 2byc s THR 539 Ca 0.09 -2.04 0.00 0.00 -1.18 0.00 0.00 61.69 58.56 2byc s THR 539 Cb -0.11 -1.83 0.00 0.00 1.34 0.00 0.00 72.50 71.89 2byc s THR 539 CO 0.02 -0.70 0.00 0.61 -0.54 0.00 0.00 174.62 174.01 2byc n GLY 540 N -0.14 -1.91 3.11 3.99 0.00 0.04 -0.43 105.19 109.85 2byc n GLY 540 Ca -0.11 -1.21 -0.13 0.00 0.00 0.00 0.00 46.02 44.58 2byc n GLY 540 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2byc s ILE 541 N -2.56 0.63 -0.08 -0.61 -4.36 -0.48 -0.45 121.20 113.29 2byc s ILE 541 Ca 0.00 -1.39 -0.01 0.00 -0.26 0.00 0.00 60.65 58.99 2byc s ILE 541 Cb 0.00 -1.00 0.03 0.00 1.25 0.00 0.00 42.46 42.74 2byc s ILE 541 CO 0.00 -0.54 0.01 -0.22 0.24 0.00 0.00 174.94 174.43 2byc s LEU 542 N -2.09 0.61 -0.10 0.37 2.96 -0.36 -1.80 118.68 118.26 2byc s LEU 542 Ca -0.02 -0.13 -0.09 0.00 -0.22 0.00 0.00 54.13 53.67 2byc s LEU 542 Cb -0.05 -0.44 -0.04 0.00 0.50 0.00 0.00 46.19 46.16 2byc s LEU 542 CO -0.01 -0.20 0.20 -0.76 -1.32 0.00 0.00 176.35 174.25 2byc s LEU 543 N 1.97 4.39 -0.06 -0.68 1.02 0.19 -0.11 118.68 125.40 2byc s LEU 543 Ca 0.05 0.55 -0.01 0.00 0.02 0.00 0.00 54.13 54.73 2byc s LEU 543 Cb -0.13 -2.18 0.03 0.00 0.02 0.00 0.00 46.19 43.93 2byc s LEU 543 CO -0.05 0.36 0.02 -0.47 0.02 0.00 0.00 176.35 176.23 2byc s TYR 544 N -0.87 0.40 -0.03 0.29 5.04 0.21 -1.92 117.35 120.45 2byc s TYR 544 Ca 0.16 0.02 0.04 0.00 -2.44 0.00 0.00 57.07 54.85 2byc s TYR 544 Cb -0.13 -0.64 0.07 0.00 0.35 0.00 0.00 41.96 41.61 2byc s TYR 544 CO 0.05 -0.26 1.01 0.27 -1.34 0.00 0.00 175.55 175.29 2byc n ASN 545 N 5.12 1.97 0.00 4.32 6.94 -1.07 -2.05 115.26 130.48 2byc n ASN 545 Ca -0.07 -2.21 0.00 0.00 -0.02 0.00 0.00 54.58 52.28 2byc n ASN 545 Cb 0.50 -0.10 0.00 0.00 -2.36 0.00 0.00 39.78 37.82 2byc n ASN 545 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2byc n GLY 546 N -0.69 1.41 0.54 4.83 0.00 -1.26 -4.77 105.19 105.25 2byc n GLY 546 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 2byc n GLY 546 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2byc n VAL 547 N -2.00 0.00 -4.38 1.61 0.31 -1.26 -4.93 118.33 107.68 2byc n VAL 547 Ca 0.00 0.00 -0.22 0.00 -0.01 0.00 0.00 64.34 64.11 2byc n VAL 547 Cb 0.00 -0.77 -0.11 0.00 -0.91 0.00 0.00 33.84 32.06 2byc n VAL 547 CO 0.00 0.00 0.00 -1.00 -1.32 0.00 0.00 176.83 174.51 2byc s HIS 548 N -1.87 1.97 0.02 3.52 3.76 -1.26 -2.00 115.29 119.43 2byc s HIS 548 Ca 0.00 -0.45 0.03 0.00 -0.15 0.00 0.00 55.06 54.49 2byc s HIS 548 Cb 0.00 -0.92 -0.04 0.00 1.11 0.00 0.00 32.58 32.73 2byc s HIS 548 CO 0.00 0.46 -0.01 -0.06 -0.85 0.00 0.00 174.74 174.27 2byc s PHE 549 N -2.38 3.02 -0.06 1.40 2.99 -0.33 -2.61 117.98 120.02 2byc s PHE 549 Ca 0.22 0.03 0.01 0.00 0.00 0.00 0.00 56.93 57.19 2byc s PHE 549 Cb -0.04 -1.63 0.02 0.00 0.00 0.00 0.00 43.02 41.37 2byc s PHE 549 CO 0.09 0.45 -0.06 0.08 -0.00 0.00 0.00 175.22 175.78 2byc s VAL 550 N -1.11 0.68 0.09 -0.44 1.01 -0.81 -0.54 120.40 119.28 2byc s VAL 550 Ca 0.20 -0.19 0.05 0.00 0.00 0.00 0.00 61.98 62.05 2byc s VAL 550 Cb -0.11 -0.69 -0.03 0.00 0.00 0.00 0.00 36.38 35.54 2byc s VAL 550 CO 0.11 0.26 -0.14 -1.58 0.00 0.00 0.00 175.10 173.76 2byc s GLN 551 N 1.00 0.89 -0.08 2.72 0.74 -0.52 0.54 119.66 124.95 2byc s GLN 551 Ca -0.10 -1.07 0.01 0.00 0.05 0.00 0.00 55.36 54.25 2byc s GLN 551 Cb -0.14 -0.83 0.02 0.00 1.10 0.00 0.00 33.01 33.16 2byc s GLN 551 CO -0.00 0.17 -0.08 0.99 -0.55 0.00 0.00 175.29 175.82 2byc s THR 552 N -1.68 0.93 -0.02 -0.34 2.01 -0.75 -1.26 115.64 114.53 2byc s THR 552 Ca 0.02 -0.30 0.07 0.00 0.31 0.00 0.00 61.69 61.79 2byc s THR 552 Cb -0.08 -0.91 -0.02 0.00 0.01 0.00 0.00 72.50 71.50 2byc s THR 552 CO 0.02 0.33 -0.23 0.27 -0.69 0.00 0.00 174.62 174.32 2byc s ILE 553 N 1.18 1.81 0.06 1.82 -4.36 0.49 -1.38 121.20 120.81 2byc s ILE 553 Ca -0.06 -0.97 0.07 0.00 -0.26 0.00 0.00 60.65 59.44 2byc s ILE 553 Cb -0.14 -1.51 -0.03 0.00 1.25 0.00 0.00 42.46 42.03 2byc s ILE 553 CO -0.02 0.51 -0.20 -1.83 0.24 0.00 0.00 174.94 173.64 2byc s GLU 554 N -0.46 1.27 0.00 0.37 -1.05 0.43 -0.76 118.70 118.50 2byc s GLU 554 Ca 0.07 -0.99 0.00 0.00 -0.15 0.00 0.00 54.97 53.90 2byc s GLU 554 Cb -0.10 -1.42 0.00 0.00 -0.44 0.00 0.00 34.13 32.18 2byc s GLU 554 CO -0.00 0.35 0.00 0.41 0.95 0.00 0.00 175.26 176.97 2byc n GLY 555 N 1.62 -1.25 3.72 -3.83 0.00 -0.42 -1.88 105.19 103.16 2byc n GLY 555 Ca -0.18 -1.17 -0.35 0.00 0.00 0.00 0.00 46.02 44.32 2byc n GLY 555 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2byc s PRO 556 N -1.80 2.21 0.17 1.61 0.02 -1.26 -1.18 135.00 134.77 2byc s PRO 556 Ca 0.00 1.83 -0.20 0.00 0.02 0.00 0.00 61.00 62.66 2byc s PRO 556 Cb 0.00 -1.83 0.09 0.00 0.02 0.00 0.00 34.50 32.78 2byc s PRO 556 CO 0.00 -1.80 1.63 -0.09 -0.33 0.00 0.00 177.00 176.41 2byc h ARG 557 N -0.12 -0.14 -0.53 5.54 9.65 -0.38 -1.02 114.38 127.38 2byc h ARG 557 Ca -0.48 0.01 -0.07 0.00 -1.10 0.00 0.00 59.98 58.33 2byc h ARG 557 Cb 1.31 0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 29.89 2byc h ARG 557 CO 0.50 -0.09 0.04 0.66 2.80 0.00 0.00 179.97 183.88 2byc h SER 558 N -0.14 0.83 -0.37 -3.80 4.64 -1.34 -0.90 113.55 112.48 2byc h SER 558 Ca 0.19 -0.20 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 2byc h SER 558 Cb 0.44 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 62.29 2byc h SER 558 CO -0.47 0.88 0.16 0.00 -0.87 0.00 0.00 176.83 176.53 2byc h ALA 559 N 1.22 0.48 -0.26 5.18 0.00 -1.59 0.16 119.26 124.44 2byc h ALA 559 Ca 0.16 -0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.83 2byc h ALA 559 Cb 0.44 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2byc h ALA 559 CO 0.02 0.06 -0.34 0.00 0.00 0.00 0.00 179.25 178.99 2byc h ASP 561 N 0.48 0.31 -0.08 0.00 1.82 -0.98 0.28 116.42 118.24 2byc h ASP 561 Ca 0.05 -0.01 -0.00 0.00 -0.39 0.00 0.00 57.03 56.68 2byc h ASP 561 Cb 0.81 -0.08 -0.00 0.00 0.68 0.00 0.00 39.33 40.74 2byc h ASP 561 CO 0.07 0.23 0.03 -0.33 -1.61 0.00 0.00 179.24 177.62 2byc h GLU 562 N 0.36 0.12 0.29 0.28 5.08 -0.76 -2.40 114.58 117.54 2byc h GLU 562 Ca 0.10 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.43 2byc h GLU 562 Cb -0.04 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 2byc h GLU 562 CO -0.02 0.25 -0.22 1.25 -1.00 0.00 0.00 179.01 179.27 2byc h LEU 563 N -0.04 -0.57 -0.79 1.33 5.85 -1.31 -2.45 115.31 117.34 2byc h LEU 563 Ca 0.03 0.04 0.14 0.00 0.84 0.00 0.00 57.88 58.93 2byc h LEU 563 Cb 0.18 0.18 -0.09 0.00 0.37 0.00 0.00 40.66 41.30 2byc h LEU 563 CO -0.00 -0.34 0.36 0.15 -0.34 0.00 0.00 178.44 178.27 2byc h PHE 564 N -0.51 0.62 -0.78 1.25 3.57 -0.44 0.34 116.94 120.98 2byc h PHE 564 Ca -0.02 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.50 2byc h PHE 564 Cb 0.45 -0.16 -0.04 0.00 2.79 0.00 0.00 35.95 39.00 2byc h PHE 564 CO -0.12 0.12 0.41 -0.09 -2.23 0.00 0.00 178.31 176.40 2byc h ARG 565 N 0.52 1.10 0.36 1.11 2.43 -1.26 0.15 114.38 118.79 2byc h ARG 565 Ca 0.43 -0.14 -0.02 0.00 -0.81 0.00 0.00 59.98 59.44 2byc h ARG 565 Cb 0.63 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 29.97 2byc h ARG 565 CO -0.38 0.83 -0.17 1.25 -1.51 0.00 0.00 179.97 179.98 2byc h LEU 566 N 1.09 -0.41 -1.09 3.80 7.12 -0.61 -2.06 115.31 123.15 2byc h LEU 566 Ca 0.27 -0.07 0.13 0.00 0.13 0.00 0.00 57.88 58.34 2byc h LEU 566 Cb 0.06 0.11 -0.08 0.00 -0.53 0.00 0.00 40.66 40.21 2byc h LEU 566 CO -0.04 -0.18 0.61 0.40 -0.13 0.00 0.00 178.44 179.11 2byc h ILE 567 N -0.63 0.88 0.00 4.05 2.04 -0.19 0.71 117.51 124.38 2byc h ILE 567 Ca -0.05 -0.31 -0.01 0.00 1.00 0.00 0.00 64.86 65.49 2byc h ILE 567 Cb 0.45 -0.09 -0.00 0.00 -0.74 0.00 0.00 36.82 36.44 2byc h ILE 567 CO 0.08 0.16 -0.07 0.28 0.00 0.00 0.00 178.15 178.61 2byc h SER 568 N 0.89 0.00 0.70 1.72 0.02 -0.02 -1.97 113.55 114.89 2byc h SER 568 Ca 0.49 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.44 2byc h SER 568 Cb 0.58 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.12 2byc h SER 568 CO -0.26 0.07 -0.20 0.00 -1.14 0.00 0.00 176.83 175.30 2byc n ALA 569 N -2.29 2.85 -2.51 3.77 0.00 0.23 -4.85 120.51 117.71 2byc n ALA 569 Ca -0.02 -0.22 -0.42 0.00 0.00 0.00 0.00 53.44 52.77 2byc n ALA 569 Cb 0.17 -1.32 -0.03 0.00 0.00 0.00 0.00 19.45 18.28 2byc n ALA 569 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2byc s ASP 570 N -2.90 7.09 0.00 0.00 -1.08 -0.74 -4.91 116.67 114.13 2byc s ASP 570 Ca 0.16 1.74 0.11 0.00 -0.52 0.00 0.00 52.55 54.04 2byc s ASP 570 Cb 0.19 -2.56 0.50 0.00 -1.46 0.00 0.00 42.92 39.59 2byc s ASP 570 CO 0.58 -0.57 1.34 -2.65 0.52 0.00 0.00 175.17 174.40 2byc n PRO 571 N 5.26 0.03 -0.02 4.34 -0.02 -1.26 -3.48 135.00 139.84 2byc n PRO 571 Ca 0.11 0.28 0.08 0.00 -2.02 0.00 0.00 63.50 61.95 2byc n PRO 571 Cb 0.47 -1.50 0.40 0.00 -0.02 0.00 0.00 33.50 32.85 2byc n PRO 571 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2byc n ARG 572 N -1.46 1.18 -3.79 -0.52 1.74 -1.26 -4.73 116.66 107.82 2byc n ARG 572 Ca 0.03 -0.27 -0.10 0.00 -0.77 0.00 0.00 57.85 56.74 2byc n ARG 572 Cb 0.12 -1.26 -0.04 0.00 -1.02 0.00 0.00 32.46 30.26 2byc n ARG 572 CO 0.00 0.00 0.00 -3.38 -1.52 0.00 0.00 177.63 172.73 2byc s HIS 573 N -1.94 -0.01 0.28 -1.55 -3.43 -1.23 -0.31 115.29 107.11 2byc s HIS 573 Ca 0.24 -0.34 -0.01 0.00 -0.80 0.00 0.00 55.06 54.14 2byc s HIS 573 Cb 0.11 0.29 -0.02 0.00 -1.43 0.00 0.00 32.58 31.54 2byc s HIS 573 CO 0.18 -0.87 0.31 1.14 -2.00 0.00 0.00 174.74 173.51 2byc s GLN 574 N -3.89 1.59 -1.37 -0.38 -2.07 0.79 -4.87 119.66 109.46 2byc s GLN 574 Ca 0.11 -1.71 -0.07 0.00 -1.82 0.00 0.00 55.36 51.87 2byc s GLN 574 Cb -0.00 0.36 0.03 0.00 -1.09 0.00 0.00 33.01 32.31 2byc s GLN 574 CO -0.02 -0.60 1.00 0.39 -1.32 0.00 0.00 175.29 174.74 2byc n GLU 575 N -0.46 -6.45 -2.59 9.60 1.02 -1.26 0.33 120.64 120.83 2byc n GLU 575 Ca 0.03 0.73 -0.42 0.00 -0.02 0.00 0.00 57.16 57.47 2byc n GLU 575 Cb 0.63 -5.64 -0.03 0.00 -0.02 0.00 0.00 31.44 26.39 2byc n GLU 575 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2byc s ILE 576 N -3.39 4.54 -0.13 -3.67 1.01 -1.26 -4.21 121.20 114.09 2byc s ILE 576 Ca 0.38 1.83 -0.05 0.00 0.00 0.00 0.00 60.65 62.81 2byc s ILE 576 Cb -0.18 -4.17 0.06 0.00 0.01 0.00 0.00 42.46 38.18 2byc s ILE 576 CO 0.77 0.11 0.27 -0.22 0.00 0.00 0.00 174.94 175.87 2byc s LEU 577 N 1.30 -0.22 0.34 2.97 2.96 -0.21 -4.98 118.68 120.84 2byc s LEU 577 Ca 0.54 0.62 -0.29 0.00 -0.22 0.00 0.00 54.13 54.78 2byc s LEU 577 Cb -0.24 0.76 -0.11 0.00 0.50 0.00 0.00 46.19 47.11 2byc s LEU 577 CO 0.26 -0.23 1.46 0.00 -1.32 0.00 0.00 176.35 176.52 2byc s ALA 578 N 2.25 3.59 -0.10 5.97 0.00 -1.26 -0.73 121.76 131.47 2byc s ALA 578 Ca -0.01 1.48 -0.22 0.00 0.00 0.00 0.00 51.96 53.22 2byc s ALA 578 Cb -0.12 -3.58 -0.28 0.00 0.00 0.00 0.00 23.12 19.15 2byc s ALA 578 CO -0.09 -0.92 0.69 0.35 0.00 0.00 0.00 175.76 175.79 2byc h PHE 579 N 3.55 0.33 -2.25 0.00 3.57 -1.02 -3.47 116.94 117.65 2byc h PHE 579 Ca -0.49 -0.24 0.18 0.00 3.53 0.00 0.00 57.97 60.94 2byc h PHE 579 Cb 1.23 -0.01 -0.10 0.00 2.79 0.00 0.00 35.95 39.86 2byc h PHE 579 CO 0.55 1.34 0.52 0.16 -2.23 0.00 0.00 178.31 178.65 2byc s ASP 580 N -6.81 -0.20 -0.18 0.41 -4.77 -1.16 -5.00 116.67 98.96 2byc s ASP 580 Ca -0.18 -0.32 -0.04 0.00 -3.30 0.00 0.00 52.55 48.71 2byc s ASP 580 Cb 0.02 0.44 0.08 0.00 -1.09 0.00 0.00 42.92 42.37 2byc s ASP 580 CO 0.75 -0.80 0.17 -0.22 0.70 0.00 0.00 175.17 175.77 2byc s LEU 581 N -2.87 0.07 -0.03 2.11 2.96 -1.26 -1.64 118.68 118.03 2byc s LEU 581 Ca 0.11 -0.34 0.03 0.00 -0.22 0.00 0.00 54.13 53.71 2byc s LEU 581 Cb -0.01 0.13 0.00 0.00 0.50 0.00 0.00 46.19 46.81 2byc s LEU 581 CO -0.00 -0.33 -0.09 -1.83 -1.32 0.00 0.00 176.35 172.78 2byc s GLU 582 N 2.25 0.98 0.71 1.98 -1.05 -0.39 -4.94 118.70 118.25 2byc s GLU 582 Ca 0.05 -0.32 -0.15 0.00 -0.15 0.00 0.00 54.97 54.40 2byc s GLU 582 Cb -0.16 -0.91 0.03 0.00 -0.44 0.00 0.00 34.13 32.65 2byc s GLU 582 CO -0.10 0.12 1.19 -2.14 0.95 0.00 0.00 175.26 175.28 2byc s PRO 583 N 0.16 2.28 0.06 -4.83 0.02 -1.26 -0.91 135.00 130.52 2byc s PRO 583 Ca -0.03 1.70 -0.04 0.00 0.02 0.00 0.00 61.00 62.65 2byc s PRO 583 Cb -0.08 -1.86 -0.02 0.00 0.02 0.00 0.00 34.50 32.56 2byc s PRO 583 CO 0.00 -1.71 0.06 0.96 -0.33 0.00 0.00 177.00 175.98 2byc s ILE 584 N -2.03 0.18 -0.05 2.83 -4.36 -0.63 -4.80 121.20 112.35 2byc s ILE 584 Ca 0.73 -1.47 -0.20 0.00 -0.26 0.00 0.00 60.65 59.45 2byc s ILE 584 Cb -0.28 -1.32 -0.31 0.00 1.25 0.00 0.00 42.46 41.80 2byc s ILE 584 CO 0.44 -0.81 0.86 0.74 0.24 0.00 0.00 174.94 176.40 2byc h THR 585 N 3.17 1.41 -3.82 8.37 2.02 -1.95 -3.41 112.91 118.69 2byc h THR 585 Ca -0.34 -2.54 -0.09 0.00 0.77 0.00 0.00 66.41 64.21 2byc h THR 585 Cb 1.17 3.11 -0.14 0.00 -1.74 0.00 0.00 68.15 70.54 2byc h THR 585 CO 0.60 0.73 -0.39 0.00 0.37 0.00 0.00 175.52 176.82 2byc s ALA 586 N -2.46 -0.18 0.30 6.16 0.00 -1.26 -5.01 121.76 119.31 2byc s ALA 586 Ca -0.14 -0.64 -0.30 0.00 0.00 0.00 0.00 51.96 50.88 2byc s ALA 586 Cb 0.02 0.46 -0.12 0.00 0.00 0.00 0.00 23.12 23.48 2byc s ALA 586 CO 0.84 -0.49 1.47 0.54 0.00 0.00 0.00 175.76 178.12 2byc n ARG 587 N -0.01 2.40 0.10 0.00 1.74 -1.26 -4.92 116.66 114.71 2byc n ARG 587 Ca -0.15 0.85 -0.03 0.00 -0.77 0.00 0.00 57.85 57.75 2byc n ARG 587 Cb 0.62 -2.55 -0.01 0.00 -1.02 0.00 0.00 32.46 29.50 2byc n ARG 587 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2byc h ARG 588 N 3.95 0.00 -2.02 5.56 3.08 -1.99 -3.39 114.38 119.57 2byc h ARG 588 Ca -0.47 0.00 -0.54 0.00 0.07 0.00 0.00 59.98 59.05 2byc h ARG 588 Cb 1.25 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 30.89 2byc h ARG 588 CO 0.73 0.79 -0.88 1.19 -1.07 0.00 0.00 179.97 180.72 2byc n PHE 589 N -3.40 2.44 0.34 3.04 3.01 -1.26 -4.93 117.46 116.70 2byc n PHE 589 Ca 0.00 -3.76 0.14 0.00 1.01 0.00 0.00 57.45 54.84 2byc n PHE 589 Cb 0.82 -0.42 0.60 0.00 -0.01 0.00 0.00 39.48 40.47 2byc n PHE 589 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 2byc h PRO 590 N 2.95 0.00 -0.02 -1.08 0.13 -1.99 -2.61 132.00 129.38 2byc h PRO 590 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 2byc h PRO 590 Cb 0.75 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.88 2byc h PRO 590 CO 0.69 0.00 -0.09 -0.25 -0.23 0.00 0.00 178.00 178.12 2byc n ASP 591 N -2.52 2.57 -4.06 1.44 9.92 -1.26 -4.85 116.55 117.80 2byc n ASP 591 Ca 0.01 -1.82 -0.32 0.00 -0.53 0.00 0.00 54.79 52.13 2byc n ASP 591 Cb 0.22 0.08 -0.15 0.00 -0.64 0.00 0.00 41.12 40.63 2byc n ASP 591 CO 0.00 0.00 0.00 0.26 0.13 0.00 0.00 177.20 177.59 2byc s TRP 592 N -2.09 3.08 0.24 1.24 0.51 -0.98 -4.97 118.94 115.96 2byc s TRP 592 Ca 0.28 -2.16 -0.06 0.00 -2.12 0.00 0.00 56.10 52.04 2byc s TRP 592 Cb 0.20 -1.87 0.32 0.00 -0.81 0.00 0.00 33.47 31.31 2byc s TRP 592 CO 0.36 -0.85 1.86 0.77 -0.51 0.00 0.00 176.95 178.57 2byc h SER 593 N 7.82 0.87 -0.30 2.95 0.02 -1.82 0.16 113.55 123.24 2byc h SER 593 Ca -0.22 0.01 0.18 0.00 -0.84 0.00 0.00 61.79 60.92 2byc h SER 593 Cb 1.06 -0.17 -0.19 0.00 0.14 0.00 0.00 62.40 63.24 2byc h SER 593 CO 0.47 0.56 -0.07 -0.32 -1.14 0.00 0.00 176.83 176.34 2byc s MET 594 N -6.07 0.19 -0.13 3.45 -2.45 -1.23 -3.44 119.30 109.61 2byc s MET 594 Ca -0.13 0.11 -0.24 0.00 -1.25 0.00 0.00 55.69 54.18 2byc s MET 594 Cb 0.18 0.06 -0.02 0.00 1.25 0.00 0.00 34.83 36.30 2byc s MET 594 CO 0.79 -0.33 0.76 0.50 1.05 0.00 0.00 175.02 177.79 2byc s ARG 595 N 2.70 4.34 -0.09 4.11 6.06 0.40 -4.88 118.95 131.60 2byc s ARG 595 Ca 0.24 0.92 -0.14 0.00 -2.50 0.00 0.00 55.73 54.24 2byc s ARG 595 Cb -0.01 -3.53 -0.05 0.00 0.06 0.00 0.00 34.95 31.42 2byc s ARG 595 CO -0.21 -0.17 0.36 -1.50 -2.50 0.00 0.00 175.30 171.28 2byc s ILE 596 N 1.61 5.20 -0.24 4.11 2.07 -1.26 -1.22 121.20 131.47 2byc s ILE 596 Ca 0.37 0.70 0.01 0.00 -1.41 0.00 0.00 60.65 60.32 2byc s ILE 596 Cb -0.17 -3.67 0.04 0.00 0.13 0.00 0.00 42.46 38.78 2byc s ILE 596 CO 0.15 0.47 -0.11 -0.69 -1.91 0.00 0.00 174.94 172.84 2byc s VAL 597 N -0.22 2.41 0.25 4.00 1.01 0.84 -4.91 120.40 123.77 2byc s VAL 597 Ca 0.21 -1.24 0.04 0.00 0.00 0.00 0.00 61.98 60.99 2byc s VAL 597 Cb -0.15 -2.25 0.04 0.00 0.00 0.00 0.00 36.38 34.02 2byc s VAL 597 CO 0.09 0.19 0.34 -1.54 0.00 0.00 0.00 175.10 174.18 2byc n SER 598 N 4.57 0.88 -0.11 3.32 3.41 -1.26 -0.62 113.62 123.81 2byc n SER 598 Ca -0.17 -1.64 -0.04 0.00 -0.26 0.00 0.00 58.87 56.76 2byc n SER 598 Cb 0.46 -0.18 0.18 0.00 -0.26 0.00 0.00 64.21 64.40 2byc n SER 598 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 175.04 174.96 2byc h ARG 599 N 0.00 0.78 -0.21 4.33 0.11 -1.74 -1.56 114.38 116.09 2byc h ARG 599 Ca -0.11 -0.19 -0.03 0.00 0.10 0.00 0.00 59.98 59.74 2byc h ARG 599 Cb 0.52 -0.10 -0.01 0.00 1.11 0.00 0.00 29.97 31.50 2byc h ARG 599 CO 0.16 0.77 0.02 -0.22 0.10 0.00 0.00 179.97 180.80 2byc h LYS 600 N 0.74 0.35 -0.27 0.08 3.64 -1.95 -2.13 116.57 117.03 2byc h LYS 600 Ca 0.15 -0.10 -0.11 0.00 -1.27 0.00 0.00 60.65 59.32 2byc h LYS 600 Cb 0.40 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.17 2byc h LYS 600 CO 0.01 0.53 -0.30 1.49 -2.27 0.00 0.00 179.45 178.92 2byc h GLU 601 N 0.13 0.56 -0.49 1.90 4.81 -1.91 -2.71 114.58 116.87 2byc h GLU 601 Ca 0.06 -0.24 -0.08 0.00 -0.13 0.00 0.00 59.36 58.97 2byc h GLU 601 Cb 0.36 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.70 2byc h GLU 601 CO 0.01 0.80 -0.01 1.25 -0.73 0.00 0.00 179.01 180.32 2byc h LEU 602 N 0.49 0.80 -0.73 1.64 5.85 -1.18 0.31 115.31 122.49 2byc h LEU 602 Ca 0.06 -0.20 -0.11 0.00 0.84 0.00 0.00 57.88 58.47 2byc h LEU 602 Cb 0.76 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.56 2byc h LEU 602 CO 0.06 0.87 -0.20 -0.09 -0.34 0.00 0.00 178.44 178.74 2byc h ARG 603 N 0.77 0.75 -0.23 1.25 2.43 -1.19 0.31 114.38 118.47 2byc h ARG 603 Ca 0.15 -0.29 -0.15 0.00 -0.81 0.00 0.00 59.98 58.88 2byc h ARG 603 Cb 0.48 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.98 2byc h ARG 603 CO 0.02 0.90 -0.46 0.00 -1.51 0.00 0.00 179.97 178.92 2byc h ALA 604 N 1.11 0.76 0.01 2.80 0.00 -1.14 -2.98 119.26 119.82 2byc h ALA 604 Ca 0.10 -0.47 -0.35 0.00 0.00 0.00 0.00 54.91 54.18 2byc h ALA 604 Cb 0.70 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.33 2byc h ALA 604 CO 0.05 0.67 -2.18 1.28 0.00 0.00 0.00 179.25 179.07 2byc n LEU 605 N -4.00 1.02 -3.05 0.00 4.77 0.06 -4.72 117.00 111.09 2byc n LEU 605 Ca -0.02 0.11 -0.16 0.00 -0.03 0.00 0.00 56.01 55.90 2byc n LEU 605 Cb 0.56 -0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.64 2byc n LEU 605 CO 0.46 0.58 -0.08 0.00 -1.33 0.00 0.00 177.39 177.02 2byc n ALA 606 N -2.81 1.16 -0.20 -1.18 0.00 0.09 -4.98 120.51 112.59 2byc n ALA 606 Ca -0.31 -2.79 0.12 0.00 0.00 0.00 0.00 53.44 50.46 2byc n ALA 606 Cb 1.09 -0.99 0.42 0.00 0.00 0.00 0.00 19.45 19.97 2byc n ALA 606 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2byc h PRO 607 N 3.33 0.58 0.00 0.00 0.13 -1.59 -0.54 132.00 133.91 2byc h PRO 607 Ca 0.03 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 2byc h PRO 607 Cb 0.98 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 31.98 2byc h PRO 607 CO 0.40 0.38 0.00 0.38 -0.23 0.00 0.00 178.00 178.93 2byc h ASP 608 N 0.60 0.00 0.00 1.44 2.03 -1.91 -3.05 116.42 115.52 2byc h ASP 608 Ca 0.38 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.68 2byc h ASP 608 Cb 0.64 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.14 2byc h ASP 608 CO -0.14 0.00 0.00 0.18 -1.03 0.00 0.00 179.24 178.25 2byc n LEU 609 N -2.98 1.62 0.22 0.15 4.77 -0.25 -4.75 117.00 115.78 2byc n LEU 609 Ca -0.01 -1.62 0.13 0.00 -0.03 0.00 0.00 56.01 54.48 2byc n LEU 609 Cb 0.21 0.00 0.68 0.00 -2.33 0.00 0.00 43.42 41.97 2byc n LEU 609 CO 0.23 0.41 0.92 1.05 -1.33 0.00 0.00 177.39 178.67 2byc h GLU 610 N 0.00 0.00 -0.00 3.23 4.11 -1.35 -0.34 114.58 120.23 2byc h GLU 610 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2byc h GLU 610 Cb 0.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.66 2byc h GLU 610 CO 0.00 0.00 -0.37 -2.13 0.07 0.00 0.00 179.01 176.58 2byc n ARG 611 N -2.43 0.04 -3.42 1.06 0.63 -1.26 -4.87 116.66 106.41 2byc n ARG 611 Ca -0.02 -0.02 -0.25 0.00 -0.92 0.00 0.00 57.85 56.64 2byc n ARG 611 Cb 0.15 -1.50 0.02 0.00 0.45 0.00 0.00 32.46 31.58 2byc n ARG 611 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 2byc n LEU 612 N -1.46 -2.23 0.02 6.15 4.77 -0.14 -4.83 117.00 119.28 2byc n LEU 612 Ca 0.06 -0.47 0.12 0.00 -0.03 0.00 0.00 56.01 55.70 2byc n LEU 612 Cb 0.34 -2.53 0.30 0.00 -2.33 0.00 0.00 43.42 39.20 2byc n LEU 612 CO 0.33 0.29 0.53 -0.90 -1.33 0.00 0.00 177.39 176.30 2byc n ASP 613 N -2.54 0.47 -3.66 -1.43 3.85 -1.26 -4.94 116.55 107.04 2byc n ASP 613 Ca -0.03 -0.00 -0.23 0.00 -0.71 0.00 0.00 54.79 53.82 2byc n ASP 613 Cb 0.56 0.06 0.04 0.00 -1.35 0.00 0.00 41.12 40.43 2byc n ASP 613 CO 0.00 0.00 0.00 0.18 -1.01 0.00 0.00 177.20 176.37 2byc n LEU 614 N -1.67 -3.27 -0.09 -2.12 4.32 -1.26 -4.89 117.00 108.03 2byc n LEU 614 Ca 0.05 -0.87 -0.13 0.00 -0.02 0.00 0.00 56.01 55.05 2byc n LEU 614 Cb 0.36 -2.63 -0.15 0.00 -1.62 0.00 0.00 43.42 39.39 2byc n LEU 614 CO 0.34 0.39 -1.08 -1.54 -1.22 0.00 0.00 177.39 174.28 2byc n SER 615 N -2.98 0.81 -4.77 -1.43 3.41 -1.26 -4.88 113.62 102.52 2byc n SER 615 Ca -0.23 0.05 -0.40 0.00 -0.26 0.00 0.00 58.87 58.03 2byc n SER 615 Cb 0.65 0.32 0.01 0.00 -0.26 0.00 0.00 64.21 64.93 2byc n SER 615 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2byc s GLY 616 N -5.70 2.93 0.57 5.00 0.00 -1.26 -4.89 107.32 103.96 2byc s GLY 616 Ca -0.17 1.47 0.33 0.00 0.00 0.00 0.00 44.72 46.36 2byc s GLY 616 CO 0.77 2.11 2.13 -0.56 0.00 0.00 0.00 173.10 177.54 2byc h PRO 617 N 2.59 0.00 -0.19 2.90 0.13 -2.03 -3.13 132.00 132.26 2byc h PRO 617 Ca -0.51 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 2byc h PRO 617 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 2byc h PRO 617 CO 0.62 0.06 0.00 0.39 -0.23 0.00 0.00 178.00 178.84 2byc n GLU 618 N -3.38 2.09 -0.30 0.86 1.02 -1.26 -4.66 120.64 115.01 2byc n GLU 618 Ca -0.02 -1.93 0.00 0.00 -0.02 0.00 0.00 57.16 55.19 2byc n GLU 618 Cb 0.21 -1.42 0.13 0.00 -0.02 0.00 0.00 31.44 30.35 2byc n GLU 618 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 2byc h ASP 619 N 3.94 0.80 -0.06 1.62 3.45 -1.93 -0.37 116.42 123.87 2byc h ASP 619 Ca 0.00 0.02 -0.11 0.00 0.43 0.00 0.00 57.03 57.37 2byc h ASP 619 Cb 0.87 -0.15 -0.01 0.00 -0.56 0.00 0.00 39.33 39.48 2byc h ASP 619 CO 0.00 0.52 -0.30 0.58 -1.57 0.00 0.00 179.24 178.47 2byc h VAL 620 N 0.94 1.28 -0.40 -1.35 2.07 -1.84 0.01 116.25 116.96 2byc h VAL 620 Ca 0.36 -1.37 -0.12 0.00 0.82 0.00 0.00 66.70 66.40 2byc h VAL 620 Cb 0.17 1.41 -0.01 0.00 -1.52 0.00 0.00 31.29 31.33 2byc h VAL 620 CO -0.17 0.43 -0.22 0.00 0.02 0.00 0.00 177.57 177.63 2byc h ALA 621 N 1.23 0.87 -0.01 1.67 0.00 -1.73 0.14 119.26 121.43 2byc h ALA 621 Ca 0.06 -0.37 -0.05 0.00 0.00 0.00 0.00 54.91 54.55 2byc h ALA 621 Cb 0.75 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2byc h ALA 621 CO 0.06 0.63 -0.19 0.93 0.00 0.00 0.00 179.25 180.69 2byc h GLU 622 N 0.69 0.14 -0.99 0.00 5.08 -0.71 -2.35 114.58 116.44 2byc h GLU 622 Ca 0.10 -0.14 0.09 0.00 -1.00 0.00 0.00 59.36 58.41 2byc h GLU 622 Cb 0.73 0.04 -0.07 0.00 0.50 0.00 0.00 28.75 29.95 2byc h GLU 622 CO 0.06 0.87 0.63 -0.07 -1.00 0.00 0.00 179.01 179.50 2byc h LEU 623 N -0.54 0.97 0.15 1.33 3.38 -0.85 -0.66 115.31 119.08 2byc h LEU 623 Ca -0.02 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 2byc h LEU 623 Cb 0.93 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.51 2byc h LEU 623 CO 0.04 0.57 -0.07 0.45 0.09 0.00 0.00 178.44 179.52 2byc h HIS 624 N 1.07 -0.18 -0.35 1.13 3.86 -0.59 -1.81 115.15 118.27 2byc h HIS 624 Ca 0.46 -0.00 -0.14 0.00 -1.16 0.00 0.00 60.37 59.52 2byc h HIS 624 Cb 0.32 0.06 -0.01 0.00 1.06 0.00 0.00 27.41 28.85 2byc h HIS 624 CO -0.00 0.04 -0.34 0.07 0.86 0.00 0.00 177.93 178.56 2byc h ARG 625 N -0.39 0.78 -0.28 2.45 -0.00 -1.21 0.12 114.38 115.87 2byc h ARG 625 Ca -0.02 -0.37 -0.07 0.00 -0.00 0.00 0.00 59.98 59.51 2byc h ARG 625 Cb 0.31 -0.00 -0.02 0.00 -0.00 0.00 0.00 29.97 30.26 2byc h ARG 625 CO 0.03 1.00 -0.13 1.79 -0.00 0.00 0.00 179.97 182.66 2byc h THR 626 N 0.65 1.23 0.18 0.08 1.35 -1.12 0.18 112.91 115.46 2byc h THR 626 Ca 0.07 -1.01 -0.32 0.00 -0.55 0.00 0.00 66.41 64.60 2byc h THR 626 Cb 0.88 1.17 0.02 0.00 -1.73 0.00 0.00 68.15 68.48 2byc h THR 626 CO 0.08 0.33 -1.47 0.40 -0.25 0.00 0.00 175.52 174.61 2byc h ILE 627 N 0.43 1.27 -0.69 6.82 1.08 -1.16 -3.09 117.51 122.17 2byc h ILE 627 Ca 0.08 -2.80 -0.03 0.00 -0.39 0.00 0.00 64.86 61.72 2byc h ILE 627 Cb 0.49 2.92 -0.03 0.00 -3.07 0.00 0.00 36.82 37.13 2byc h ILE 627 CO 0.03 0.84 0.32 0.00 -0.69 0.00 0.00 178.15 178.65 2byc h ALA 628 N 0.35 1.28 0.00 1.87 0.00 -0.70 -2.16 119.26 119.89 2byc h ALA 628 Ca -0.23 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.54 2byc h ALA 628 Cb 2.07 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 19.59 2byc h ALA 628 CO 0.22 0.56 0.00 0.00 0.00 0.00 0.00 179.25 180.02 2byc n ALA 629 N -2.44 1.45 1.95 0.00 0.00 0.04 -1.70 120.51 119.81 2byc n ALA 629 Ca 0.06 0.08 0.14 0.00 0.00 0.00 0.00 53.44 53.73 2byc n ALA 629 Cb 0.14 -1.31 0.84 0.00 0.00 0.00 0.00 19.45 19.12 2byc n ALA 629 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2byc n SER 630 N -2.06 0.00 0.00 0.00 3.41 -0.81 -5.08 113.62 109.08 2byc n SER 630 Ca 0.01 -1.06 0.10 0.00 -0.26 0.00 0.00 58.87 57.66 2byc n SER 630 Cb 0.15 0.00 0.60 0.00 -0.26 0.00 0.00 64.21 64.70 2byc n SER 630 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77