#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hto h LEU 502 N 0.00 0.00 -3.29 0.99 5.85 -1.93 -3.28 115.31 113.64 3hto h LEU 502 Ca 0.00 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 3hto h LEU 502 Cb 0.00 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 3hto h LEU 502 CO 0.00 0.21 0.00 0.49 -0.34 0.00 0.00 178.44 178.80 3hto n PHE 503 N -2.93 1.03 -0.16 1.25 3.01 -1.26 -4.99 117.46 113.41 3hto n PHE 503 Ca -0.01 -0.94 0.00 0.00 1.01 0.00 0.00 57.45 57.52 3hto n PHE 503 Cb 0.64 -0.35 0.00 0.00 -0.01 0.00 0.00 39.48 39.76 3hto n PHE 503 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3hto n GLY 504 N -0.52 0.00 0.15 1.37 0.00 -1.24 -4.78 105.19 100.17 3hto n GLY 504 Ca 0.23 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.19 3hto n GLY 504 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hto h ALA 505 N 0.00 -0.28 -2.89 4.61 0.00 -1.90 0.59 119.26 119.40 3hto h ALA 505 Ca 0.00 -0.10 -0.53 0.00 0.00 0.00 0.00 54.91 54.28 3hto h ALA 505 Cb 0.00 0.11 0.07 0.00 0.00 0.00 0.00 17.79 17.97 3hto h ALA 505 CO 0.00 -0.27 0.66 -1.64 0.00 0.00 0.00 179.25 178.00 3hto s MET 506 N -2.60 4.28 -0.72 0.00 1.00 -1.26 -2.12 119.30 117.87 3hto s MET 506 Ca -0.06 2.26 -0.09 0.00 0.00 0.00 0.00 55.69 57.80 3hto s MET 506 Cb 0.00 -3.02 0.09 0.00 0.00 0.00 0.00 34.83 31.90 3hto s MET 506 CO 0.19 -0.27 0.23 0.00 0.00 0.00 0.00 175.02 175.17 3hto n ALA 507 N 0.68 -0.91 -2.00 3.03 0.00 -1.19 -2.00 120.51 118.11 3hto n ALA 507 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.37 3hto n ALA 507 Cb 0.42 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.68 3hto n ALA 507 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hto n GLY 508 N -0.67 2.05 0.05 0.00 0.00 -1.02 -4.73 105.19 100.89 3hto n GLY 508 Ca 0.05 -0.17 0.13 0.00 0.00 0.00 0.00 46.02 46.03 3hto n GLY 508 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 3hto n PHE 509 N 0.00 0.01 -3.19 1.61 1.16 0.20 -2.80 117.46 114.45 3hto n PHE 509 Ca 0.00 -0.00 -0.22 0.00 -1.87 0.00 0.00 57.45 55.36 3hto n PHE 509 Cb 0.00 0.00 -0.05 0.00 -1.61 0.00 0.00 39.48 37.82 3hto n PHE 509 CO 0.00 0.00 0.00 -0.89 -1.87 0.00 0.00 176.76 174.00 3hto n ILE 510 N -0.80 -0.09 0.15 1.97 5.41 -0.90 -3.60 119.36 121.50 3hto n ILE 510 Ca 0.20 -4.43 0.06 0.00 1.00 0.00 0.00 62.75 59.58 3hto n ILE 510 Cb 0.12 -1.15 0.33 0.00 -0.71 0.00 0.00 39.64 38.23 3hto n ILE 510 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 176.55 174.71 3hto n GLU 511 N 0.77 0.08 -4.32 0.38 0.28 -1.12 -3.16 120.64 113.55 3hto n GLU 511 Ca 0.24 0.55 -0.17 0.00 -0.16 0.00 0.00 57.16 57.62 3hto n GLU 511 Cb 0.58 -2.07 -0.10 0.00 1.43 0.00 0.00 31.44 31.28 3hto n GLU 511 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 177.13 177.17 3hto s GLY 512 N -3.08 1.37 0.28 -1.84 0.00 -1.26 -4.34 107.32 98.44 3hto s GLY 512 Ca -0.01 -1.65 0.06 0.00 0.00 0.00 0.00 44.72 43.12 3hto s GLY 512 CO 0.11 -1.69 0.37 -0.32 0.00 0.00 0.00 173.10 171.57 3hto s GLY 513 N -3.28 1.39 -0.41 0.20 0.00 -1.26 -4.90 107.32 99.06 3hto s GLY 513 Ca 0.22 -1.35 -0.11 0.00 0.00 0.00 0.00 44.72 43.49 3hto s GLY 513 CO 0.05 -1.34 0.26 -0.98 0.00 0.00 0.00 173.10 171.10 3hto s TRP 514 N -2.08 3.30 0.37 1.90 0.51 -1.26 -4.89 118.94 116.78 3hto s TRP 514 Ca 0.38 -1.30 0.09 0.00 -2.12 0.00 0.00 56.10 53.15 3hto s TRP 514 Cb -0.09 -2.85 0.71 0.00 -0.81 0.00 0.00 33.47 30.43 3hto s TRP 514 CO 0.29 -0.79 1.85 1.15 -0.51 0.00 0.00 176.95 178.94 3hto h THR 515 N 5.98 1.22 -0.78 2.01 2.02 -2.03 -2.84 112.91 118.48 3hto h THR 515 Ca -0.24 -1.02 -0.04 0.00 0.77 0.00 0.00 66.41 65.87 3hto h THR 515 Cb 1.09 1.40 -0.04 0.00 -1.74 0.00 0.00 68.15 68.86 3hto h THR 515 CO 0.75 0.31 0.33 1.23 0.37 0.00 0.00 175.52 178.51 3hto h GLY 516 N 0.90 1.24 -6.56 2.16 0.00 -2.04 -3.39 103.07 95.38 3hto h GLY 516 Ca 0.03 -0.66 -0.57 0.00 0.00 0.00 0.00 47.33 46.13 3hto h GLY 516 CO 0.04 0.62 1.05 -0.29 0.00 0.00 0.00 176.54 177.96 3hto s MET 517 N -5.56 3.66 0.00 4.80 0.00 -1.07 -4.84 119.30 116.29 3hto s MET 517 Ca -0.12 1.02 0.01 0.00 0.00 0.00 0.00 55.69 56.61 3hto s MET 517 Cb 0.16 -3.99 0.03 0.00 0.00 0.00 0.00 34.83 31.03 3hto s MET 517 CO 0.83 -1.46 0.88 0.44 0.00 0.00 0.00 175.02 175.72 3hto n ILE 518 N 6.86 0.70 -0.19 10.11 -5.35 -1.26 -4.69 119.36 125.53 3hto n ILE 518 Ca 0.16 -0.85 0.05 0.00 -0.27 0.00 0.00 62.75 61.84 3hto n ILE 518 Cb 0.48 0.66 0.14 0.00 -1.74 0.00 0.00 39.64 39.18 3hto n ILE 518 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 3hto n ASP 519 N -0.24 2.88 -3.73 7.28 3.85 -1.26 -5.06 116.55 120.27 3hto n ASP 519 Ca 0.01 -2.04 0.02 0.00 -0.71 0.00 0.00 54.79 52.08 3hto n ASP 519 Cb 0.20 -0.22 0.01 0.00 -1.35 0.00 0.00 41.12 39.75 3hto n ASP 519 CO 0.00 0.00 0.00 -0.83 -1.01 0.00 0.00 177.20 175.36 3hto s GLY 520 N -1.04 -0.27 -0.08 6.12 0.00 -1.26 -4.82 107.32 105.97 3hto s GLY 520 Ca 0.22 0.36 -0.16 0.00 0.00 0.00 0.00 44.72 45.14 3hto s GLY 520 CO 0.14 3.17 0.64 1.49 0.00 0.00 0.00 173.10 178.54 3hto h TRP 521 N 2.00 0.51 -4.00 1.90 6.55 -1.91 -3.47 115.95 117.53 3hto h TRP 521 Ca -0.26 -0.37 -0.61 0.00 0.95 0.00 0.00 58.89 58.60 3hto h TRP 521 Cb 1.19 -0.02 -0.23 0.00 -0.86 0.00 0.00 29.16 29.24 3hto h TRP 521 CO 0.92 1.53 -0.85 0.71 -1.05 0.00 0.00 178.44 179.71 3hto s TYR 522 N -2.49 1.97 -0.34 0.49 2.02 -1.26 -5.06 117.35 112.69 3hto s TYR 522 Ca -0.18 -0.40 0.00 0.00 -0.37 0.00 0.00 57.07 56.12 3hto s TYR 522 Cb 0.04 -1.10 0.00 0.00 -0.40 0.00 0.00 41.96 40.50 3hto s TYR 522 CO 0.79 0.21 0.00 0.41 -1.57 0.00 0.00 175.55 175.39 3hto n GLY 523 N 1.26 -0.58 3.65 0.71 0.00 -1.26 -1.19 105.19 107.78 3hto n GLY 523 Ca -0.18 -0.63 -0.28 0.00 0.00 0.00 0.00 46.02 44.92 3hto n GLY 523 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hto s TYR 524 N -3.00 2.43 -0.18 1.61 1.51 -0.03 -4.85 117.35 114.84 3hto s TYR 524 Ca 0.00 -0.71 -0.07 0.00 -1.01 0.00 0.00 57.07 55.28 3hto s TYR 524 Cb 0.00 -1.77 0.08 0.00 -0.11 0.00 0.00 41.96 40.15 3hto s TYR 524 CO 0.00 0.39 0.39 -1.58 -1.11 0.00 0.00 175.55 173.63 3hto s HIS 525 N -2.73 -0.67 0.39 2.71 2.46 -1.26 -1.87 115.29 114.32 3hto s HIS 525 Ca 0.31 1.35 0.08 0.00 0.47 0.00 0.00 55.06 57.27 3hto s HIS 525 Cb 0.08 0.23 -0.06 0.00 -0.13 0.00 0.00 32.58 32.70 3hto s HIS 525 CO 0.16 -0.42 0.07 -3.38 -2.47 0.00 0.00 174.74 168.71 3hto s HIS 526 N 2.22 2.56 -0.28 3.88 -3.43 -0.73 -4.98 115.29 114.53 3hto s HIS 526 Ca -0.04 -0.56 -0.02 0.00 -0.80 0.00 0.00 55.06 53.65 3hto s HIS 526 Cb -0.11 -1.74 0.17 0.00 -1.43 0.00 0.00 32.58 29.47 3hto s HIS 526 CO -0.12 0.37 0.52 -1.14 -2.00 0.00 0.00 174.74 172.37 3hto s GLN 527 N -3.78 0.49 0.18 -0.38 2.00 -1.26 -2.77 119.66 114.15 3hto s GLN 527 Ca 0.37 0.85 -0.00 0.00 -2.00 0.00 0.00 55.36 54.58 3hto s GLN 527 Cb 0.04 0.20 -0.04 0.00 0.80 0.00 0.00 33.01 34.01 3hto s GLN 527 CO 0.20 -0.62 0.09 0.54 -0.50 0.00 0.00 175.29 175.00 3hto s ASN 528 N 2.75 0.44 0.60 6.67 4.22 -0.82 -5.02 114.94 123.79 3hto s ASN 528 Ca 0.18 -1.31 0.28 0.00 -2.14 0.00 0.00 52.86 49.86 3hto s ASN 528 Cb -0.15 0.30 1.19 0.00 1.28 0.00 0.00 41.25 43.87 3hto s ASN 528 CO -0.19 -0.77 1.58 -0.33 -2.04 0.00 0.00 177.10 175.36 3hto h GLU 529 N 2.67 0.00 0.00 3.55 3.07 -2.01 0.42 114.58 122.28 3hto h GLU 529 Ca -0.36 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.50 3hto h GLU 529 Cb 1.23 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.14 3hto h GLU 529 CO 0.57 0.00 -0.24 0.37 -1.40 0.00 0.00 179.01 178.31 3hto h GLN 530 N 0.00 0.00 0.00 2.33 5.75 -1.95 -3.50 115.11 117.74 3hto h GLN 530 Ca 0.35 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.85 3hto h GLN 530 Cb 2.08 0.00 0.00 0.00 1.07 0.00 0.00 27.48 30.63 3hto h GLN 530 CO -0.00 0.00 0.00 0.41 -2.65 0.00 0.00 178.83 176.59 3hto n GLY 531 N 1.20 0.04 1.47 2.39 0.00 0.14 -5.13 105.19 105.30 3hto n GLY 531 Ca 0.04 -1.68 -0.08 0.00 0.00 0.00 0.00 46.02 44.30 3hto n GLY 531 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3hto n SER 532 N 3.00 -0.47 0.00 1.61 3.41 -1.26 -1.94 113.62 117.97 3hto n SER 532 Ca 0.00 -1.92 0.00 0.00 -0.26 0.00 0.00 58.87 56.69 3hto n SER 532 Cb 0.00 0.95 0.00 0.00 -0.26 0.00 0.00 64.21 64.90 3hto n SER 532 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hto n GLY 533 N -0.27 1.68 3.78 5.00 0.00 -1.11 -4.97 105.19 109.29 3hto n GLY 533 Ca 0.02 -1.79 -0.25 0.00 0.00 0.00 0.00 46.02 44.00 3hto n GLY 533 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hto s TYR 534 N -1.47 3.08 -0.27 1.61 1.51 -1.26 -1.78 117.35 118.77 3hto s TYR 534 Ca 0.00 -0.07 -0.02 0.00 -1.01 0.00 0.00 57.07 55.98 3hto s TYR 534 Cb 0.00 -1.45 0.16 0.00 -0.11 0.00 0.00 41.96 40.56 3hto s TYR 534 CO 0.00 0.52 0.47 0.00 -1.11 0.00 0.00 175.55 175.44 3hto s ALA 535 N -1.88 -1.60 0.40 3.71 0.00 -0.78 -4.98 121.76 116.63 3hto s ALA 535 Ca 0.31 1.26 -0.26 0.00 0.00 0.00 0.00 51.96 53.27 3hto s ALA 535 Cb -0.09 -1.92 -0.08 0.00 0.00 0.00 0.00 23.12 21.03 3hto s ALA 535 CO 0.23 -1.33 1.24 0.00 0.00 0.00 0.00 175.76 175.90 3hto s ALA 536 N 2.68 3.20 -0.44 0.00 0.00 -1.26 -0.85 121.76 125.09 3hto s ALA 536 Ca 0.16 1.10 -0.29 0.00 0.00 0.00 0.00 51.96 52.93 3hto s ALA 536 Cb -0.15 -3.43 0.02 0.00 0.00 0.00 0.00 23.12 19.56 3hto s ALA 536 CO -0.19 -0.68 1.24 0.34 0.00 0.00 0.00 175.76 176.47 3hto s ASP 537 N -0.93 6.54 0.21 0.00 3.68 -0.33 -4.85 116.67 120.99 3hto s ASP 537 Ca 0.57 0.65 -0.07 0.00 2.13 0.00 0.00 52.55 55.82 3hto s ASP 537 Cb -0.34 -2.55 0.14 0.00 -1.45 0.00 0.00 42.92 38.72 3hto s ASP 537 CO 0.44 -1.30 1.70 1.56 0.13 0.00 0.00 175.17 177.70 3hto h GLN 538 N 9.71 1.06 0.70 4.34 1.08 -1.92 -2.84 115.11 127.25 3hto h GLN 538 Ca -0.25 -0.29 -0.03 0.00 -1.45 0.00 0.00 58.65 56.63 3hto h GLN 538 Cb 1.08 -0.12 0.01 0.00 -0.05 0.00 0.00 27.48 28.39 3hto h GLN 538 CO 1.11 0.98 -0.34 0.87 -0.95 0.00 0.00 178.83 180.50 3hto h LYS 539 N 0.99 -0.91 -0.06 1.46 1.79 -1.97 0.26 116.57 118.13 3hto h LYS 539 Ca 0.20 0.06 0.02 0.00 -2.18 0.00 0.00 60.65 58.74 3hto h LYS 539 Cb 0.45 0.21 -0.00 0.00 -1.58 0.00 0.00 32.23 31.30 3hto h LYS 539 CO 0.01 -0.61 0.05 0.66 -1.08 0.00 0.00 179.45 178.49 3hto h SER 540 N -0.98 0.00 -0.03 0.86 4.64 -1.96 0.33 113.55 116.41 3hto h SER 540 Ca -0.10 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.15 3hto h SER 540 Cb 0.72 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.82 3hto h SER 540 CO 0.16 0.00 -0.27 0.74 -0.87 0.00 0.00 176.83 176.59 3hto h THR 541 N 0.00 1.48 0.39 2.95 2.02 -1.41 -1.77 112.91 116.58 3hto h THR 541 Ca 0.03 -1.80 -0.01 0.00 0.77 0.00 0.00 66.41 65.39 3hto h THR 541 Cb 0.13 2.53 -0.00 0.00 -1.74 0.00 0.00 68.15 69.07 3hto h THR 541 CO -0.00 0.50 -0.24 1.56 0.37 0.00 0.00 175.52 177.71 3hto h GLN 542 N -0.34 -0.58 -0.96 6.66 1.08 0.06 -0.41 115.11 120.63 3hto h GLN 542 Ca -0.03 0.04 0.12 0.00 -1.45 0.00 0.00 58.65 57.34 3hto h GLN 542 Cb 0.96 0.13 -0.09 0.00 -0.05 0.00 0.00 27.48 28.44 3hto h GLN 542 CO 0.06 -0.39 0.58 -0.91 -0.95 0.00 0.00 178.83 177.22 3hto h ASN 543 N -0.60 0.83 -0.56 1.46 2.35 -1.06 0.90 115.58 118.89 3hto h ASN 543 Ca -0.04 0.06 -0.04 0.00 -0.55 0.00 0.00 56.30 55.73 3hto h ASN 543 Cb 0.50 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.74 3hto h ASN 543 CO 0.04 0.42 0.21 0.00 -1.65 0.00 0.00 177.43 176.45 3hto h ALA 544 N 1.54 0.73 0.22 -0.83 0.00 -0.86 -1.61 119.26 118.43 3hto h ALA 544 Ca 0.48 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.21 3hto h ALA 544 Cb 0.52 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3hto h ALA 544 CO -0.28 0.36 -0.10 0.82 0.00 0.00 0.00 179.25 180.04 3hto h ILE 545 N 0.77 0.82 -0.75 0.00 2.04 0.31 0.32 117.51 121.01 3hto h ILE 545 Ca 0.18 -0.16 0.15 0.00 1.00 0.00 0.00 64.86 66.04 3hto h ILE 545 Cb 0.23 0.91 -0.10 0.00 -0.74 0.00 0.00 36.82 37.12 3hto h ILE 545 CO -0.01 0.04 0.28 0.44 0.00 0.00 0.00 178.15 178.89 3hto h ASP 546 N -0.37 0.22 -0.08 1.72 3.32 -0.73 0.35 116.42 120.85 3hto h ASP 546 Ca -0.03 0.12 -0.01 0.00 0.02 0.00 0.00 57.03 57.13 3hto h ASP 546 Cb 0.28 0.11 -0.00 0.00 0.22 0.00 0.00 39.33 39.94 3hto h ASP 546 CO 0.05 0.07 -0.00 1.23 -1.72 0.00 0.00 179.24 178.86 3hto h GLY 547 N 0.40 0.16 1.36 2.75 0.00 -0.92 0.11 103.07 106.94 3hto h GLY 547 Ca 0.42 -0.12 -0.07 0.00 0.00 0.00 0.00 47.33 47.56 3hto h GLY 547 CO -0.43 0.11 0.04 -2.22 0.00 0.00 0.00 176.54 174.03 3hto h ILE 548 N -0.14 1.24 0.36 2.60 1.08 -0.45 0.12 117.51 122.32 3hto h ILE 548 Ca 0.02 -0.94 -0.02 0.00 -0.39 0.00 0.00 64.86 63.54 3hto h ILE 548 Cb 0.35 0.82 0.00 0.00 -3.07 0.00 0.00 36.82 34.93 3hto h ILE 548 CO 0.00 0.34 -0.17 0.74 -0.69 0.00 0.00 178.15 178.37 3hto h THR 549 N 0.74 0.65 -0.84 -0.27 2.02 -0.19 -0.65 112.91 114.38 3hto h THR 549 Ca 0.15 -0.26 0.07 0.00 0.77 0.00 0.00 66.41 67.15 3hto h THR 549 Cb 0.40 0.78 -0.06 0.00 -1.74 0.00 0.00 68.15 67.54 3hto h THR 549 CO 0.01 0.05 0.55 -1.13 0.37 0.00 0.00 175.52 175.37 3hto h ASN 550 N -0.63 0.79 -0.30 4.18 -0.73 -0.57 -0.78 115.58 117.54 3hto h ASN 550 Ca -0.05 0.01 -0.03 0.00 1.87 0.00 0.00 56.30 58.09 3hto h ASN 550 Cb 0.46 -0.16 -0.01 0.00 0.27 0.00 0.00 38.32 38.88 3hto h ASN 550 CO 0.08 0.50 0.06 0.50 -0.37 0.00 0.00 177.43 178.20 3hto h LYS 551 N 0.90 0.50 -0.53 6.67 3.64 -0.43 -1.27 116.57 126.04 3hto h LYS 551 Ca 0.37 -0.13 -0.05 0.00 -1.27 0.00 0.00 60.65 59.56 3hto h LYS 551 Cb 0.27 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.01 3hto h LYS 551 CO -0.14 0.59 0.12 0.28 -2.27 0.00 0.00 179.45 178.04 3hto h VAL 552 N 0.33 1.25 -0.01 2.00 2.07 -0.61 -2.65 116.25 118.62 3hto h VAL 552 Ca 0.09 -0.88 0.03 0.00 0.82 0.00 0.00 66.70 66.76 3hto h VAL 552 Cb 0.33 0.79 -0.04 0.00 -1.52 0.00 0.00 31.29 30.85 3hto h VAL 552 CO 0.00 0.32 -0.23 0.78 0.02 0.00 0.00 177.57 178.47 3hto h ASN 553 N 0.75 -0.68 -0.46 0.57 -0.26 -0.96 -2.12 115.58 112.43 3hto h ASN 553 Ca 0.17 0.10 0.09 0.00 -0.56 0.00 0.00 56.30 56.09 3hto h ASN 553 Cb 0.35 0.28 -0.10 0.00 -1.06 0.00 0.00 38.32 37.79 3hto h ASN 553 CO 0.00 -0.30 -0.30 0.28 -1.06 0.00 0.00 177.43 176.06 3hto h SER 554 N -0.36 -1.00 -0.24 5.81 0.02 -1.03 2.00 113.55 118.75 3hto h SER 554 Ca 0.06 0.19 0.07 0.00 -0.84 0.00 0.00 61.79 61.28 3hto h SER 554 Cb 0.44 0.49 -0.01 0.00 0.14 0.00 0.00 62.40 63.46 3hto h SER 554 CO -0.21 -0.30 0.25 0.40 -1.14 0.00 0.00 176.83 175.83 3hto h ILE 555 N -0.20 0.49 0.00 3.27 2.04 -1.12 0.66 117.51 122.65 3hto h ILE 555 Ca 0.20 0.00 -0.43 0.00 1.00 0.00 0.00 64.86 65.63 3hto h ILE 555 Cb 0.52 0.80 -0.06 0.00 -0.74 0.00 0.00 36.82 37.34 3hto h ILE 555 CO -0.57 0.00 -2.36 -0.38 0.00 0.00 0.00 178.15 174.84 3hto n ILE 556 N -3.85 1.53 -0.29 -0.67 5.41 0.46 -4.49 119.36 117.47 3hto n ILE 556 Ca 0.03 -0.36 -0.03 0.00 1.00 0.00 0.00 62.75 63.39 3hto n ILE 556 Cb 0.39 -1.86 0.08 0.00 -0.71 0.00 0.00 39.64 37.54 3hto n ILE 556 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 3hto h GLU 557 N -0.89 1.02 0.00 0.38 4.39 0.32 -2.60 114.58 117.20 3hto h GLU 557 Ca -0.64 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.00 3hto h GLU 557 Cb 1.61 -0.23 0.00 0.00 -0.10 0.00 0.00 28.75 30.03 3hto h GLU 557 CO -0.36 0.68 0.00 1.63 -1.16 0.00 0.00 179.01 179.80 3hto n LYS 558 N -4.55 0.33 -2.88 2.33 4.76 0.21 -4.54 118.16 113.82 3hto n LYS 558 Ca 0.09 0.07 -0.43 0.00 -2.87 0.00 0.00 58.31 55.16 3hto n LYS 558 Cb 0.04 -1.50 -0.04 0.00 -1.84 0.00 0.00 35.03 31.69 3hto n LYS 558 CO 0.00 0.00 0.00 1.41 -1.37 0.00 0.00 177.40 177.44 3hto s MET 559 N -2.25 3.15 0.08 1.97 1.75 -0.98 -5.02 119.30 117.99 3hto s MET 559 Ca 0.18 -0.96 -0.22 0.00 -1.25 0.00 0.00 55.69 53.44 3hto s MET 559 Cb 0.10 -4.30 -0.07 0.00 2.84 0.00 0.00 34.83 33.40 3hto s MET 559 CO 0.18 -1.79 0.65 1.21 -0.65 0.00 0.00 175.02 174.61 3hto s ASN 560 N 3.69 7.14 -0.11 1.11 3.04 -1.26 -5.07 114.94 123.47 3hto s ASN 560 Ca 0.22 1.35 -0.05 0.00 0.04 0.00 0.00 52.86 54.42 3hto s ASN 560 Cb -0.16 -2.41 0.05 0.00 -1.54 0.00 0.00 41.25 37.19 3hto s ASN 560 CO 0.08 0.19 0.25 0.42 -3.04 0.00 0.00 177.10 175.01 3hto s THR 561 N -0.81 -0.04 0.38 -5.21 -4.23 -1.26 -5.16 115.64 99.31 3hto s THR 561 Ca 0.32 0.15 0.07 0.00 -1.18 0.00 0.00 61.69 61.05 3hto s THR 561 Cb -0.20 -0.39 -0.00 0.00 1.34 0.00 0.00 72.50 73.24 3hto s THR 561 CO 0.21 0.06 0.48 0.00 -0.54 0.00 0.00 174.62 174.83 3hto s GLN 562 N 1.27 2.87 -0.15 3.99 0.00 -1.26 -5.02 119.66 121.36 3hto s GLN 562 Ca -0.09 -1.21 -0.29 0.00 -0.00 0.00 0.00 55.36 53.77 3hto s GLN 562 Cb -0.10 -2.69 -0.05 0.00 0.00 0.00 0.00 33.01 30.16 3hto s GLN 562 CO -0.09 -0.10 1.88 0.12 0.00 0.00 0.00 175.29 177.10 3hto s PHE 563 N -2.30 1.62 0.06 9.60 5.36 -1.26 -4.96 117.98 126.09 3hto s PHE 563 Ca 0.49 0.26 0.03 0.00 -0.96 0.00 0.00 56.93 56.75 3hto s PHE 563 Cb -0.08 -4.04 -0.03 0.00 -0.34 0.00 0.00 43.02 38.53 3hto s PHE 563 CO 0.31 -3.99 -0.09 0.99 -1.46 0.00 0.00 175.22 170.98 3hto s THR 564 N 5.85 0.66 -0.36 0.12 2.01 -1.26 -5.10 115.64 117.56 3hto s THR 564 Ca 0.84 -1.26 0.04 0.00 0.31 0.00 0.00 61.69 61.62 3hto s THR 564 Cb -0.32 -0.86 0.10 0.00 0.01 0.00 0.00 72.50 71.44 3hto s THR 564 CO 0.34 -0.43 0.08 0.00 -0.69 0.00 0.00 174.62 173.92 3hto s ALA 565 N -1.72 2.90 0.11 7.40 0.00 -1.26 -5.02 121.76 124.17 3hto s ALA 565 Ca -0.05 -2.61 -0.21 0.00 0.00 0.00 0.00 51.96 49.09 3hto s ALA 565 Cb -0.08 -1.98 -0.08 0.00 0.00 0.00 0.00 23.12 20.98 3hto s ALA 565 CO 0.00 -1.74 1.72 0.28 0.00 0.00 0.00 175.76 176.02 3hto h VAL 566 N 6.44 0.89 -3.61 0.00 2.07 -2.02 -3.45 116.25 116.58 3hto h VAL 566 Ca -0.05 -0.00 -0.55 0.00 0.82 0.00 0.00 66.70 66.92 3hto h VAL 566 Cb 1.00 0.88 0.19 0.00 -1.52 0.00 0.00 31.29 31.85 3hto h VAL 566 CO 0.54 0.00 -0.18 0.61 0.02 0.00 0.00 177.57 178.56 3hto n GLY 567 N -1.15 -1.11 1.41 2.17 0.00 -1.26 -5.03 105.19 100.23 3hto n GLY 567 Ca -0.04 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.47 3hto n GLY 567 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hto n LYS 568 N -1.85 0.00 -1.63 1.61 4.76 -1.26 -5.15 118.16 114.64 3hto n LYS 568 Ca 0.10 0.00 -0.01 0.00 -2.87 0.00 0.00 58.31 55.53 3hto n LYS 568 Cb 0.51 -0.28 -0.01 0.00 -1.84 0.00 0.00 35.03 33.41 3hto n LYS 568 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 3hto n GLU 569 N -2.70 -1.08 -4.55 1.97 1.02 -1.26 -5.09 120.64 108.94 3hto n GLU 569 Ca 0.00 1.19 -0.21 0.00 -0.02 0.00 0.00 57.16 58.12 3hto n GLU 569 Cb 0.25 -1.80 -0.15 0.00 -0.02 0.00 0.00 31.44 29.71 3hto n GLU 569 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 3hto s PHE 570 N -0.15 1.11 0.55 -0.32 0.40 -1.26 -5.13 117.98 113.19 3hto s PHE 570 Ca -0.05 -0.21 -0.06 0.00 -0.60 0.00 0.00 56.93 56.01 3hto s PHE 570 Cb 0.00 -0.71 -0.01 0.00 0.51 0.00 0.00 43.02 42.81 3hto s PHE 570 CO 0.13 -0.02 0.86 0.54 0.70 0.00 0.00 175.22 177.44 3hto s ASN 571 N -0.30 5.87 0.00 1.36 2.20 -1.26 -4.89 114.94 117.91 3hto s ASN 571 Ca 0.05 0.81 0.00 0.00 -0.94 0.00 0.00 52.86 52.78 3hto s ASN 571 Cb -0.05 -1.93 0.00 0.00 -2.00 0.00 0.00 41.25 37.27 3hto s ASN 571 CO -0.00 -0.87 0.64 -0.46 -2.94 0.00 0.00 177.10 173.46 3hto n ASN 572 N -2.46 0.00 -0.79 3.54 2.04 -1.26 0.68 115.26 117.01 3hto n ASN 572 Ca 0.03 0.15 0.08 0.00 -0.44 0.00 0.00 54.58 54.41 3hto n ASN 572 Cb 0.56 -0.15 0.24 0.00 -2.53 0.00 0.00 39.78 37.90 3hto n ASN 572 CO 0.00 0.00 0.00 0.18 -0.44 0.00 0.00 177.26 177.00 3hto n LEU 573 N -1.14 3.67 -1.57 -4.53 4.77 -1.26 -4.48 117.00 112.46 3hto n LEU 573 Ca 0.00 -2.95 -0.01 0.00 -0.03 0.00 0.00 56.01 53.02 3hto n LEU 573 Cb 0.32 -0.51 0.08 0.00 -2.33 0.00 0.00 43.42 40.99 3hto n LEU 573 CO 0.00 0.68 0.16 -0.62 -1.33 0.00 0.00 177.39 176.28 3hto n GLU 574 N -0.52 1.46 -0.27 3.23 1.02 0.22 -4.87 120.64 120.89 3hto n GLU 574 Ca 0.20 -3.07 0.02 0.00 -0.02 0.00 0.00 57.16 54.28 3hto n GLU 574 Cb 0.83 -1.21 0.23 0.00 -0.02 0.00 0.00 31.44 31.27 3hto n GLU 574 CO 0.00 0.00 0.00 -0.09 1.18 0.00 0.00 177.13 178.22 3hto h ARG 575 N 1.51 1.04 0.12 3.49 9.65 -1.79 -1.17 114.38 127.24 3hto h ARG 575 Ca -0.04 -0.06 -0.01 0.00 -1.10 0.00 0.00 59.98 58.78 3hto h ARG 575 Cb 1.44 -0.23 0.00 0.00 -1.39 0.00 0.00 29.97 29.79 3hto h ARG 575 CO 0.20 0.69 -0.06 0.00 2.80 0.00 0.00 179.97 183.60 3hto h ARG 576 N 1.07 -0.16 0.00 0.20 3.08 -1.95 0.57 114.38 117.19 3hto h ARG 576 Ca 0.33 0.01 -0.05 0.00 0.07 0.00 0.00 59.98 60.35 3hto h ARG 576 Cb 0.01 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 3hto h ARG 576 CO -0.09 0.03 -0.22 -0.84 -1.07 0.00 0.00 179.97 177.78 3hto h ILE 577 N -0.33 0.52 -0.49 2.04 3.07 -1.94 -1.13 117.51 119.24 3hto h ILE 577 Ca -0.02 -1.17 -0.11 0.00 1.55 0.00 0.00 64.86 65.11 3hto h ILE 577 Cb 0.27 1.82 -0.02 0.00 -0.27 0.00 0.00 36.82 38.62 3hto h ILE 577 CO 0.03 0.22 -0.14 -0.08 -1.05 0.00 0.00 178.15 177.13 3hto h GLU 578 N 0.00 0.94 0.00 0.16 4.81 -0.92 0.87 114.58 120.45 3hto h GLU 578 Ca -0.00 -0.36 -0.07 0.00 -0.13 0.00 0.00 59.36 58.81 3hto h GLU 578 Cb 0.80 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.11 3hto h GLU 578 CO 0.03 1.02 -0.31 -0.91 -0.73 0.00 0.00 179.01 178.10 3hto h ASN 579 N 0.84 0.00 -0.10 1.04 2.35 -0.38 -1.15 115.58 118.17 3hto h ASN 579 Ca 0.13 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.74 3hto h ASN 579 Cb 0.69 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.07 3hto h ASN 579 CO 0.05 0.31 -0.47 0.25 -1.65 0.00 0.00 177.43 175.93 3hto h LEU 580 N 0.00 0.59 -0.75 1.61 6.46 -0.66 0.17 115.31 122.72 3hto h LEU 580 Ca -0.00 -0.64 0.04 0.00 -0.12 0.00 0.00 57.88 57.16 3hto h LEU 580 Cb 0.90 -0.17 -0.05 0.00 -0.73 0.00 0.00 40.66 40.60 3hto h LEU 580 CO 0.04 1.13 0.47 -1.13 -0.62 0.00 0.00 178.44 178.33 3hto h ASN 581 N 0.08 0.76 0.18 1.25 -1.24 -0.62 -0.69 115.58 115.30 3hto h ASN 581 Ca -0.03 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.99 3hto h ASN 581 Cb 1.11 -0.16 -0.01 0.00 0.73 0.00 0.00 38.32 39.99 3hto h ASN 581 CO 0.10 0.52 -0.16 0.50 -1.29 0.00 0.00 177.43 177.09 3hto h LYS 582 N 0.90 -0.35 -1.00 6.67 3.64 -1.06 -0.83 116.57 124.54 3hto h LYS 582 Ca 0.31 0.02 0.18 0.00 -1.27 0.00 0.00 60.65 59.89 3hto h LYS 582 Cb 0.06 0.08 -0.10 0.00 -0.41 0.00 0.00 32.23 31.85 3hto h LYS 582 CO -0.13 -0.23 0.61 -0.22 -2.27 0.00 0.00 179.45 177.21 3hto h LYS 583 N -0.36 0.79 0.03 1.90 3.64 -0.27 0.39 116.57 122.69 3hto h LYS 583 Ca -0.00 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.33 3hto h LYS 583 Cb 0.33 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 31.98 3hto h LYS 583 CO -0.03 0.52 -0.01 0.28 -2.27 0.00 0.00 179.45 177.94 3hto h VAL 584 N 0.81 1.22 0.11 2.00 2.07 -0.65 0.27 116.25 122.07 3hto h VAL 584 Ca 0.56 -0.78 -0.01 0.00 0.82 0.00 0.00 66.70 67.30 3hto h VAL 584 Cb 0.81 1.74 0.00 0.00 -1.52 0.00 0.00 31.29 32.33 3hto h VAL 584 CO -0.36 0.20 -0.05 0.44 0.02 0.00 0.00 177.57 177.82 3hto h ASP 585 N -0.37 -0.12 -0.59 0.57 3.32 0.06 -0.67 116.42 118.61 3hto h ASP 585 Ca -0.00 -0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.00 3hto h ASP 585 Cb 0.35 0.03 -0.03 0.00 0.22 0.00 0.00 39.33 39.91 3hto h ASP 585 CO 0.01 -0.07 0.24 0.44 -1.72 0.00 0.00 179.24 178.13 3hto h ASP 586 N -0.16 0.84 0.49 6.45 3.32 -0.31 -1.57 116.42 125.48 3hto h ASP 586 Ca -0.01 -0.12 -0.02 0.00 0.02 0.00 0.00 57.03 56.90 3hto h ASP 586 Cb 0.13 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 3hto h ASP 586 CO 0.02 0.76 -0.35 1.23 -1.72 0.00 0.00 179.24 179.19 3hto h GLY 587 N 1.01 -0.89 1.05 2.75 0.00 0.04 -1.24 103.07 105.80 3hto h GLY 587 Ca 0.21 0.39 -0.07 0.00 0.00 0.00 0.00 47.33 47.86 3hto h GLY 587 CO -0.02 -0.32 0.15 0.74 0.00 0.00 0.00 176.54 177.10 3hto h PHE 588 N -0.81 1.14 0.00 5.60 0.05 -1.09 -1.82 116.94 120.01 3hto h PHE 588 Ca -0.05 -0.14 0.00 0.00 3.82 0.00 0.00 57.97 61.60 3hto h PHE 588 Cb 0.68 -0.32 0.00 0.00 2.00 0.00 0.00 35.95 38.31 3hto h PHE 588 CO -0.13 0.94 0.00 1.28 -0.18 0.00 0.00 178.31 180.22 3hto n LEU 589 N -4.27 0.00 -0.10 1.54 4.77 -0.60 -0.12 117.00 118.23 3hto n LEU 589 Ca 0.04 0.03 -0.12 0.00 -0.03 0.00 0.00 56.01 55.93 3hto n LEU 589 Cb 0.26 -0.03 -0.11 0.00 -2.33 0.00 0.00 43.42 41.21 3hto n LEU 589 CO 0.42 -0.01 -1.14 0.47 -1.33 0.00 0.00 177.39 175.80 3hto n ASP 590 N -1.03 1.70 -0.03 -1.43 9.92 -0.48 -3.66 116.55 121.54 3hto n ASP 590 Ca 0.15 -0.07 -0.13 0.00 -0.53 0.00 0.00 54.79 54.21 3hto n ASP 590 Cb 0.08 0.19 -0.08 0.00 -0.64 0.00 0.00 41.12 40.67 3hto n ASP 590 CO 0.00 0.00 0.00 0.58 0.13 0.00 0.00 177.20 177.91 3hto h VAL 591 N 0.00 1.32 0.00 2.53 2.07 -0.48 -2.43 116.25 119.26 3hto h VAL 591 Ca -0.47 -1.05 -0.02 0.00 0.82 0.00 0.00 66.70 65.97 3hto h VAL 591 Cb 1.87 1.85 -0.00 0.00 -1.52 0.00 0.00 31.29 33.48 3hto h VAL 591 CO -0.03 0.30 -0.11 -0.50 0.02 0.00 0.00 177.57 177.25 3hto h TRP 592 N -0.19 0.00 0.08 1.57 4.06 -0.73 -0.95 115.95 119.79 3hto h TRP 592 Ca 0.02 0.00 -0.18 0.00 2.06 0.00 0.00 58.89 60.79 3hto h TRP 592 Cb 0.49 0.00 0.02 0.00 -1.00 0.00 0.00 29.16 28.67 3hto h TRP 592 CO 0.07 0.11 -0.77 1.15 -3.56 0.00 0.00 178.44 175.44 3hto h THR 593 N 0.00 1.45 -0.28 1.49 2.02 -1.61 -1.66 112.91 114.32 3hto h THR 593 Ca -0.00 -2.33 -0.14 0.00 0.77 0.00 0.00 66.41 64.71 3hto h THR 593 Cb 0.59 2.89 -0.00 0.00 -1.74 0.00 0.00 68.15 69.88 3hto h THR 593 CO 0.01 0.67 -0.37 0.22 0.37 0.00 0.00 175.52 176.43 3hto h TYR 594 N -0.19 0.90 0.34 3.16 3.20 -1.37 -2.01 116.97 121.00 3hto h TYR 594 Ca -0.12 -0.29 -0.02 0.00 3.14 0.00 0.00 58.73 61.44 3hto h TYR 594 Cb 1.53 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 39.62 3hto h TYR 594 CO 0.17 1.06 -0.16 -0.91 -1.64 0.00 0.00 178.16 176.68 3hto h ASN 595 N 0.48 -0.39 -0.21 -2.11 4.21 -1.26 -1.92 115.58 114.38 3hto h ASN 595 Ca 0.03 -0.12 0.02 0.00 1.21 0.00 0.00 56.30 57.45 3hto h ASN 595 Cb 0.95 0.10 -0.02 0.00 -1.12 0.00 0.00 38.32 38.23 3hto h ASN 595 CO 0.09 -0.10 0.06 0.00 -1.29 0.00 0.00 177.43 176.19 3hto h ALA 596 N -0.13 0.22 -0.37 -0.83 0.00 -1.37 0.43 119.26 117.22 3hto h ALA 596 Ca -0.05 0.03 0.07 0.00 0.00 0.00 0.00 54.91 54.96 3hto h ALA 596 Cb 0.48 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.23 3hto h ALA 596 CO 0.08 -0.37 -0.07 1.49 0.00 0.00 0.00 179.25 180.38 3hto h GLU 597 N 0.15 0.02 0.00 0.00 4.57 -1.38 -1.90 114.58 116.04 3hto h GLU 597 Ca 0.09 -0.00 -0.19 0.00 -1.18 0.00 0.00 59.36 58.08 3hto h GLU 597 Cb 0.07 -0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.64 3hto h GLU 597 CO -0.11 0.01 -0.85 -0.07 -1.18 0.00 0.00 179.01 176.82 3hto h LEU 598 N 0.02 0.15 -0.86 1.64 3.38 -0.98 -2.49 115.31 116.17 3hto h LEU 598 Ca 0.18 -0.12 0.03 0.00 0.09 0.00 0.00 57.88 58.06 3hto h LEU 598 Cb 0.27 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 40.92 3hto h LEU 598 CO -0.36 0.93 0.55 0.25 0.09 0.00 0.00 178.44 179.90 3hto h LEU 599 N 0.06 0.92 0.56 1.67 5.85 0.30 0.23 115.31 124.90 3hto h LEU 599 Ca -0.03 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.66 3hto h LEU 599 Cb 1.48 -0.21 0.01 0.00 0.37 0.00 0.00 40.66 42.30 3hto h LEU 599 CO 0.12 0.63 -0.27 0.58 -0.34 0.00 0.00 178.44 179.16 3hto h VAL 600 N 1.08 0.00 -0.82 1.05 2.07 -1.35 -0.30 116.25 117.97 3hto h VAL 600 Ca 0.34 -0.40 0.17 0.00 0.82 0.00 0.00 66.70 67.63 3hto h VAL 600 Cb 0.00 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 29.62 3hto h VAL 600 CO -0.11 0.00 -0.19 -0.07 0.02 0.00 0.00 177.57 177.22 3hto h LEU 601 N -1.15 -0.74 -0.22 2.57 3.38 -1.23 0.54 115.31 118.46 3hto h LEU 601 Ca -0.08 0.24 -0.06 0.00 0.09 0.00 0.00 57.88 58.07 3hto h LEU 601 Cb 0.58 0.50 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 3hto h LEU 601 CO 0.13 -0.27 -0.11 -0.07 0.09 0.00 0.00 178.44 178.21 3hto h LEU 602 N 0.01 0.48 -1.45 1.67 3.38 -0.58 -2.72 115.31 116.09 3hto h LEU 602 Ca 0.40 -0.41 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 3hto h LEU 602 Cb 0.62 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.24 3hto h LEU 602 CO -0.84 0.79 -0.13 -0.33 0.09 0.00 0.00 178.44 178.02 3hto h GLU 603 N 0.17 0.00 -0.14 1.13 4.39 0.43 -2.30 114.58 118.27 3hto h GLU 603 Ca 0.05 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.60 3hto h GLU 603 Cb 0.61 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.26 3hto h GLU 603 CO 0.03 0.13 -0.49 -0.91 -1.16 0.00 0.00 179.01 176.62 3hto h ASN 604 N 0.00 0.66 -0.96 1.42 2.35 0.11 -0.91 115.58 118.25 3hto h ASN 604 Ca -0.00 -0.61 0.03 0.00 -0.55 0.00 0.00 56.30 55.17 3hto h ASN 604 Cb 0.57 -0.19 -0.05 0.00 0.05 0.00 0.00 38.32 38.69 3hto h ASN 604 CO 0.02 1.16 0.63 -0.08 -1.65 0.00 0.00 177.43 177.51 3hto h GLU 605 N 0.20 1.20 -0.16 0.81 4.57 -1.20 -1.73 114.58 118.26 3hto h GLU 605 Ca -0.02 -0.07 -0.11 0.00 -1.18 0.00 0.00 59.36 57.97 3hto h GLU 605 Cb 1.11 -0.27 -0.01 0.00 -0.16 0.00 0.00 28.75 29.42 3hto h GLU 605 CO 0.10 0.79 -0.39 0.00 -1.18 0.00 0.00 179.01 178.34 3hto h ARG 606 N 1.23 0.36 -0.05 1.92 2.47 -1.27 -2.05 114.38 116.99 3hto h ARG 606 Ca 0.38 -0.17 -0.24 0.00 -1.26 0.00 0.00 59.98 58.69 3hto h ARG 606 Cb -0.03 -0.00 0.01 0.00 -1.65 0.00 0.00 29.97 28.30 3hto h ARG 606 CO -0.11 0.70 -0.93 1.15 0.56 0.00 0.00 179.97 181.34 3hto h THR 607 N 0.30 1.31 -0.22 2.04 2.02 -0.51 -1.20 112.91 116.65 3hto h THR 607 Ca 0.03 -2.20 -0.05 0.00 0.77 0.00 0.00 66.41 64.97 3hto h THR 607 Cb 0.82 2.25 -0.01 0.00 -1.74 0.00 0.00 68.15 69.48 3hto h THR 607 CO 0.07 0.68 -0.04 -0.07 0.37 0.00 0.00 175.52 176.52 3hto h LEU 608 N 0.40 0.42 -0.31 2.58 3.38 -1.32 -1.47 115.31 119.00 3hto h LEU 608 Ca -0.09 -0.35 0.04 0.00 0.09 0.00 0.00 57.88 57.57 3hto h LEU 608 Cb 1.56 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 42.16 3hto h LEU 608 CO 0.18 0.68 0.07 0.44 0.09 0.00 0.00 178.44 179.89 3hto h ASP 609 N 0.16 0.02 -0.46 -0.43 3.32 -1.40 0.31 116.42 117.95 3hto h ASP 609 Ca 0.06 0.05 0.09 0.00 0.02 0.00 0.00 57.03 57.25 3hto h ASP 609 Cb 0.49 0.06 -0.10 0.00 0.22 0.00 0.00 39.33 40.00 3hto h ASP 609 CO 0.02 0.05 -0.26 0.15 -1.72 0.00 0.00 179.24 177.48 3hto h PHE 610 N 0.18 -0.69 -0.15 4.55 3.57 -1.00 0.64 116.94 124.03 3hto h PHE 610 Ca 0.14 0.06 0.02 0.00 3.53 0.00 0.00 57.97 61.72 3hto h PHE 610 Cb 0.15 0.37 -0.02 0.00 2.79 0.00 0.00 35.95 39.24 3hto h PHE 610 CO -0.17 -0.33 0.02 0.45 -2.23 0.00 0.00 178.31 176.05 3hto h HIS 611 N -0.16 0.04 -0.53 0.41 3.86 -0.50 -0.18 115.15 118.09 3hto h HIS 611 Ca 0.21 0.01 0.08 0.00 -1.16 0.00 0.00 60.37 59.51 3hto h HIS 611 Cb 0.50 0.00 -0.07 0.00 1.06 0.00 0.00 27.41 28.91 3hto h HIS 611 CO -0.51 0.01 0.17 0.22 0.86 0.00 0.00 177.93 178.68 3hto h ASP 612 N 0.09 0.15 -0.91 2.45 3.58 0.38 -0.24 116.42 121.91 3hto h ASP 612 Ca 0.07 0.07 0.01 0.00 0.42 0.00 0.00 57.03 57.60 3hto h ASP 612 Cb 0.07 0.07 -0.05 0.00 1.72 0.00 0.00 39.33 41.14 3hto h ASP 612 CO -0.10 0.10 0.60 -1.28 -2.88 0.00 0.00 179.24 175.69 3hto h SER 613 N 0.34 1.04 -0.25 2.28 0.87 0.74 -1.00 113.55 117.58 3hto h SER 613 Ca 0.26 -0.03 -0.07 0.00 -1.23 0.00 0.00 61.79 60.72 3hto h SER 613 Cb 0.32 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 62.00 3hto h SER 613 CO -0.29 0.75 -0.07 0.78 -0.53 0.00 0.00 176.83 177.48 3hto h ASN 614 N 1.23 0.60 -0.08 6.23 2.35 0.66 -1.17 115.58 125.40 3hto h ASN 614 Ca 0.33 -0.15 -0.05 0.00 -0.55 0.00 0.00 56.30 55.88 3hto h ASN 614 Cb -0.14 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.07 3hto h ASN 614 CO -0.07 0.72 -0.15 0.58 -1.65 0.00 0.00 177.43 176.85 3hto h VAL 615 N 0.58 1.40 -0.42 2.81 2.07 -0.76 -2.49 116.25 119.43 3hto h VAL 615 Ca 0.11 -1.44 -0.01 0.00 0.82 0.00 0.00 66.70 66.18 3hto h VAL 615 Cb 0.47 2.16 -0.02 0.00 -1.52 0.00 0.00 31.29 32.38 3hto h VAL 615 CO 0.03 0.41 0.22 -0.09 0.02 0.00 0.00 177.57 178.15 3hto h ARG 616 N -0.23 0.58 0.00 1.57 2.43 -1.04 -0.08 114.38 117.61 3hto h ARG 616 Ca 0.00 -0.06 -0.09 0.00 -0.81 0.00 0.00 59.98 59.02 3hto h ARG 616 Cb 0.73 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.15 3hto h ARG 616 CO 0.03 0.44 -0.45 -0.91 -1.51 0.00 0.00 179.97 177.57 3hto h ASN 617 N 0.59 0.00 0.02 -3.80 2.35 -1.19 -1.15 115.58 112.40 3hto h ASN 617 Ca 0.15 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.90 3hto h ASN 617 Cb 0.04 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.41 3hto h ASN 617 CO -0.02 0.45 -0.01 0.25 -1.65 0.00 0.00 177.43 176.45 3hto h LEU 618 N 0.00 -0.03 -1.10 1.61 5.85 -0.80 0.25 115.31 121.09 3hto h LEU 618 Ca -0.00 -0.69 0.10 0.00 0.84 0.00 0.00 57.88 58.13 3hto h LEU 618 Cb 1.06 0.01 -0.07 0.00 0.37 0.00 0.00 40.66 42.03 3hto h LEU 618 CO 0.06 0.70 0.61 0.22 -0.34 0.00 0.00 178.44 179.69 3hto h TYR 619 N -0.79 1.06 -0.03 1.25 3.20 -1.06 0.70 116.97 121.30 3hto h TYR 619 Ca -0.00 0.03 -0.17 0.00 3.14 0.00 0.00 58.73 61.73 3hto h TYR 619 Cb 0.71 -0.34 -0.01 0.00 1.54 0.00 0.00 36.73 38.63 3hto h TYR 619 CO 0.17 0.48 -0.73 1.49 -1.64 0.00 0.00 178.16 177.93 3hto h GLU 620 N 0.98 0.22 -0.69 1.82 4.57 -1.18 -1.01 114.58 119.28 3hto h GLU 620 Ca 0.44 -0.19 -0.01 0.00 -1.18 0.00 0.00 59.36 58.42 3hto h GLU 620 Cb 0.38 0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 28.98 3hto h GLU 620 CO -0.20 0.85 0.37 -0.22 -1.18 0.00 0.00 179.01 178.64 3hto h LYS 621 N 0.14 0.96 0.00 1.92 3.11 0.17 -2.37 116.57 120.51 3hto h LYS 621 Ca -0.02 -0.10 -0.00 0.00 -2.81 0.00 0.00 60.65 57.71 3hto h LYS 621 Cb 1.30 -0.19 0.00 0.00 -1.00 0.00 0.00 32.23 32.33 3hto h LYS 621 CO 0.11 0.71 -0.00 0.28 -2.81 0.00 0.00 179.45 177.74 3hto h VAL 622 N 0.97 1.68 -1.16 2.00 2.07 -1.03 -3.26 116.25 117.51 3hto h VAL 622 Ca 0.25 -2.03 0.33 0.00 0.82 0.00 0.00 66.70 66.06 3hto h VAL 622 Cb 0.03 3.05 -0.09 0.00 -1.52 0.00 0.00 31.29 32.76 3hto h VAL 622 CO -0.04 0.53 0.77 0.50 0.02 0.00 0.00 177.57 179.35 3hto h LYS 623 N -0.88 0.22 0.49 1.57 3.64 -1.06 0.00 116.57 120.56 3hto h LYS 623 Ca -0.00 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.34 3hto h LYS 623 Cb 0.86 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.64 3hto h LYS 623 CO 0.00 0.15 -0.23 0.77 -2.27 0.00 0.00 179.45 177.86 3hto h SER 624 N 0.23 -0.56 -0.03 4.20 0.02 -1.47 -2.16 113.55 113.79 3hto h SER 624 Ca 0.65 -0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.60 3hto h SER 624 Cb 1.98 0.14 -0.00 0.00 0.14 0.00 0.00 62.40 64.66 3hto h SER 624 CO -0.26 -0.37 0.02 1.56 -1.14 0.00 0.00 176.83 176.64 3hto h GLN 625 N -0.69 0.04 -0.28 3.45 4.20 -1.06 -3.20 115.11 117.56 3hto h GLN 625 Ca -0.07 -0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.59 3hto h GLN 625 Cb 0.52 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.28 3hto h GLN 625 CO 0.11 0.07 -0.05 -0.07 -0.67 0.00 0.00 178.83 178.22 3hto h LEU 626 N -0.01 0.41 0.00 1.46 3.38 -1.47 -3.41 115.31 115.68 3hto h LEU 626 Ca 0.01 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.90 3hto h LEU 626 Cb 0.04 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.68 3hto h LEU 626 CO -0.00 0.52 0.00 0.54 0.09 0.00 0.00 178.44 179.59 3hto n ARG 627 N -4.27 0.00 0.21 1.13 1.74 -0.81 0.31 116.66 114.97 3hto n ARG 627 Ca 0.01 0.00 0.10 0.00 -0.77 0.00 0.00 57.85 57.19 3hto n ARG 627 Cb 0.26 0.00 0.27 0.00 -1.02 0.00 0.00 32.46 31.97 3hto n ARG 627 CO 0.00 0.00 0.00 -0.91 -1.52 0.00 0.00 177.63 175.20 3hto h ASN 628 N 0.00 0.00 0.00 0.55 -0.26 -1.88 -3.34 115.58 110.64 3hto h ASN 628 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 3hto h ASN 628 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.26 3hto h ASN 628 CO 0.00 0.17 0.00 0.59 -1.06 0.00 0.00 177.43 177.13 3hto n ASN 629 N -3.18 0.65 -3.51 5.81 4.13 0.15 -4.79 115.26 114.52 3hto n ASN 629 Ca 0.02 -1.81 -0.11 0.00 1.68 0.00 0.00 54.58 54.37 3hto n ASN 629 Cb 0.52 -0.33 -0.03 0.00 -1.54 0.00 0.00 39.78 38.40 3hto n ASN 629 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3hto s ALA 630 N -1.28 -1.81 -0.08 5.41 0.00 -1.25 -1.13 121.76 121.63 3hto s ALA 630 Ca 0.00 1.11 0.01 0.00 0.00 0.00 0.00 51.96 53.08 3hto s ALA 630 Cb 0.00 0.17 -0.02 0.00 0.00 0.00 0.00 23.12 23.27 3hto s ALA 630 CO 0.00 -0.57 -0.11 0.21 0.00 0.00 0.00 175.76 175.29 3hto s LYS 631 N -2.48 2.85 -0.12 0.00 2.20 -0.40 -4.87 119.74 116.91 3hto s LYS 631 Ca 0.00 -0.63 -0.27 0.00 -0.36 0.00 0.00 55.97 54.71 3hto s LYS 631 Cb -0.01 -2.54 -0.02 0.00 -1.51 0.00 0.00 37.83 33.76 3hto s LYS 631 CO -0.04 0.53 0.89 -1.21 -0.36 0.00 0.00 175.35 175.16 3hto s GLU 632 N -0.46 4.38 -0.35 4.03 2.02 -1.26 -2.06 118.70 125.00 3hto s GLU 632 Ca 0.06 1.17 -0.10 0.00 0.02 0.00 0.00 54.97 56.13 3hto s GLU 632 Cb -0.12 -3.54 0.02 0.00 0.10 0.00 0.00 34.13 30.59 3hto s GLU 632 CO 0.02 -0.26 0.17 0.42 0.02 0.00 0.00 175.26 175.63 3hto s ILE 633 N 1.88 4.40 0.00 -1.63 1.01 -0.95 -4.98 121.20 120.94 3hto s ILE 633 Ca 0.43 -0.82 -0.06 0.00 0.00 0.00 0.00 60.65 60.20 3hto s ILE 633 Cb -0.18 -3.41 -0.07 0.00 0.01 0.00 0.00 42.46 38.81 3hto s ILE 633 CO 0.16 -0.15 0.68 0.61 0.00 0.00 0.00 174.94 176.24 3hto n GLY 634 N 4.95 0.53 0.19 6.18 0.00 -1.26 -3.27 105.19 112.51 3hto n GLY 634 Ca -0.12 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.72 3hto n GLY 634 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3hto n ASN 635 N 4.63 0.00 0.00 1.61 2.04 -1.24 -4.88 115.26 117.43 3hto n ASN 635 Ca 0.09 -1.08 0.00 0.00 -0.44 0.00 0.00 54.58 53.15 3hto n ASN 635 Cb 0.14 -0.02 0.00 0.00 -2.53 0.00 0.00 39.78 37.37 3hto n ASN 635 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 3hto n GLY 636 N 0.00 0.56 3.45 4.83 0.00 -1.20 -4.62 105.19 108.21 3hto n GLY 636 Ca 0.00 -0.67 -0.30 0.00 0.00 0.00 0.00 46.02 45.06 3hto n GLY 636 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hto s PHE 638 N -1.07 1.86 -0.32 0.00 0.40 -1.26 -2.23 117.98 115.36 3hto s PHE 638 Ca 0.16 -0.39 0.01 0.00 -0.60 0.00 0.00 56.93 56.11 3hto s PHE 638 Cb -0.10 -1.21 0.08 0.00 0.51 0.00 0.00 43.02 42.30 3hto s PHE 638 CO 0.08 -0.06 0.02 -2.00 0.70 0.00 0.00 175.22 173.96 3hto s GLU 639 N -0.40 2.03 0.26 0.44 2.12 -0.87 -4.93 118.70 117.35 3hto s GLU 639 Ca 0.06 -1.56 -0.31 0.00 0.36 0.00 0.00 54.97 53.52 3hto s GLU 639 Cb -0.09 -3.17 -0.13 0.00 0.26 0.00 0.00 34.13 31.00 3hto s GLU 639 CO -0.00 -0.78 1.46 1.19 -0.54 0.00 0.00 175.26 176.59 3hto n PHE 640 N 4.45 2.39 1.05 5.30 3.01 -1.26 -1.27 117.46 131.12 3hto n PHE 640 Ca -0.07 0.39 0.11 0.00 1.01 0.00 0.00 57.45 58.90 3hto n PHE 640 Cb 0.42 -2.50 0.57 0.00 -0.01 0.00 0.00 39.48 37.96 3hto n PHE 640 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 3hto n TYR 641 N 1.85 0.00 -4.23 1.38 0.53 -0.28 -4.78 117.16 111.62 3hto n TYR 641 Ca 0.10 0.00 -0.11 0.00 -1.02 0.00 0.00 57.90 56.87 3hto n TYR 641 Cb 0.33 -0.33 -0.03 0.00 -1.03 0.00 0.00 39.34 38.29 3hto n TYR 641 CO 0.00 0.00 0.00 -2.39 -1.02 0.00 0.00 176.86 173.45 3hto n HIS 642 N -1.33 0.21 -3.31 -0.72 1.44 -1.26 -5.05 115.22 105.20 3hto n HIS 642 Ca 0.10 -1.01 -0.38 0.00 -2.01 0.00 0.00 57.72 54.42 3hto n HIS 642 Cb 0.20 -0.05 -0.06 0.00 0.12 0.00 0.00 29.99 30.20 3hto n HIS 642 CO 0.00 0.00 0.00 0.15 -2.81 0.00 0.00 176.34 173.68 3hto s LYS 643 N -2.65 4.23 -0.32 -1.40 -0.14 -1.26 -5.04 119.74 113.16 3hto s LYS 643 Ca 0.05 0.56 -0.00 0.00 -1.36 0.00 0.00 55.97 55.22 3hto s LYS 643 Cb 0.00 -3.34 0.10 0.00 -1.68 0.00 0.00 37.83 32.91 3hto s LYS 643 CO 0.04 0.39 0.09 0.00 -0.76 0.00 0.00 175.35 175.11 3hto n ASP 645 N 4.75 -1.14 -0.16 0.00 5.68 -1.26 -4.54 116.55 119.88 3hto n ASP 645 Ca -0.01 -0.71 -0.03 0.00 -0.50 0.00 0.00 54.79 53.54 3hto n ASP 645 Cb 0.42 -0.25 0.19 0.00 -1.14 0.00 0.00 41.12 40.33 3hto n ASP 645 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 3hto h ASP 646 N -1.33 0.82 -0.30 -1.12 3.32 -1.99 0.26 116.42 116.08 3hto h ASP 646 Ca -0.10 -0.13 -0.03 0.00 0.02 0.00 0.00 57.03 56.79 3hto h ASP 646 Cb 0.31 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 3hto h ASP 646 CO 0.07 0.76 0.05 -0.33 -1.72 0.00 0.00 179.24 178.08 3hto h GLU 647 N 0.87 0.50 -0.85 3.56 4.39 -1.98 0.20 114.58 121.27 3hto h GLU 647 Ca 0.20 -0.13 -0.03 0.00 0.34 0.00 0.00 59.36 59.74 3hto h GLU 647 Cb 0.22 -0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 28.78 3hto h GLU 647 CO -0.01 0.59 0.43 0.00 -1.16 0.00 0.00 179.01 178.86 3hto h MET 649 N 1.21 0.92 0.19 0.00 2.86 -0.18 -2.63 114.93 117.29 3hto h MET 649 Ca 0.30 -0.17 -0.01 0.00 -2.06 0.00 0.00 59.70 57.76 3hto h MET 649 Cb 0.09 -0.15 -0.00 0.00 0.06 0.00 0.00 31.60 31.60 3hto h MET 649 CO -0.04 0.78 -0.10 1.49 1.06 0.00 0.00 176.91 180.10 3hto h GLU 650 N 0.85 -0.27 -0.83 1.72 4.57 0.16 -2.78 114.58 118.01 3hto h GLU 650 Ca 0.20 0.02 0.20 0.00 -1.18 0.00 0.00 59.36 58.61 3hto h GLU 650 Cb 0.21 0.06 -0.14 0.00 -0.16 0.00 0.00 28.75 28.72 3hto h GLU 650 CO -0.02 -0.18 0.11 0.66 -1.18 0.00 0.00 179.01 178.40 3hto h SER 651 N -0.28 -0.21 -0.18 1.04 4.64 -0.07 0.28 113.55 118.78 3hto h SER 651 Ca -0.02 0.20 -0.12 0.00 -0.47 0.00 0.00 61.79 61.38 3hto h SER 651 Cb 0.22 0.32 -0.01 0.00 -0.31 0.00 0.00 62.40 62.62 3hto h SER 651 CO 0.03 -0.18 -0.30 1.62 -0.87 0.00 0.00 176.83 177.13 3hto h VAL 652 N 0.15 1.28 0.09 0.95 3.04 -1.41 0.56 116.25 120.91 3hto h VAL 652 Ca 0.49 -1.42 -0.00 0.00 -1.01 0.00 0.00 66.70 64.75 3hto h VAL 652 Cb 0.92 1.36 0.00 0.00 -2.01 0.00 0.00 31.29 31.56 3hto h VAL 652 CO -0.68 0.46 -0.05 0.11 -1.01 0.00 0.00 177.57 176.41 3hto h LYS 653 N 0.57 -0.12 -0.96 4.17 1.57 -0.26 -2.21 116.57 119.32 3hto h LYS 653 Ca 0.07 0.01 -0.08 0.00 -1.87 0.00 0.00 60.65 58.78 3hto h LYS 653 Cb 0.80 0.03 -0.05 0.00 0.08 0.00 0.00 32.23 33.09 3hto h LYS 653 CO 0.07 0.02 0.10 0.27 -0.57 0.00 0.00 179.45 179.34 3hto n ASN 654 N -5.09 2.78 -3.74 0.86 0.23 -0.11 -4.91 115.26 105.28 3hto n ASN 654 Ca -0.08 -2.32 -0.29 0.00 -0.53 0.00 0.00 54.58 51.36 3hto n ASN 654 Cb 0.12 -0.57 0.02 0.00 -2.08 0.00 0.00 39.78 37.28 3hto n ASN 654 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3hto n GLY 655 N 0.13 -1.09 1.11 4.83 0.00 -0.83 -4.92 105.19 104.41 3hto n GLY 655 Ca 0.11 0.48 -0.02 0.00 0.00 0.00 0.00 46.02 46.59 3hto n GLY 655 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3hto n THR 656 N -3.60 0.00 -2.02 2.61 -2.24 0.19 -5.00 114.28 104.22 3hto n THR 656 Ca -0.16 -0.39 -0.42 0.00 -2.27 0.00 0.00 64.05 60.81 3hto n THR 656 Cb 0.61 0.65 -0.03 0.00 -2.10 0.00 0.00 70.33 69.46 3hto n THR 656 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3hto s TYR 657 N 0.00 2.56 0.81 4.78 5.04 -1.20 -4.79 117.35 124.54 3hto s TYR 657 Ca 0.13 0.48 -0.13 0.00 -2.44 0.00 0.00 57.07 55.10 3hto s TYR 657 Cb 0.15 -3.87 0.21 0.00 0.35 0.00 0.00 41.96 38.80 3hto s TYR 657 CO -0.07 -3.43 0.52 -3.47 -1.34 0.00 0.00 175.55 167.77 3hto n ASP 658 N 5.51 -2.87 -2.06 4.32 -0.08 -1.26 -4.81 116.55 115.29 3hto n ASP 658 Ca 0.15 -0.59 -0.27 0.00 -1.51 0.00 0.00 54.79 52.57 3hto n ASP 658 Cb 0.41 -0.57 -0.06 0.00 2.34 0.00 0.00 41.12 43.25 3hto n ASP 658 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3hto n TYR 659 N -4.44 0.49 0.43 -0.67 0.18 -1.26 -4.96 117.16 106.92 3hto n TYR 659 Ca 0.08 0.32 0.05 0.00 1.88 0.00 0.00 57.90 60.24 3hto n TYR 659 Cb 0.34 -1.10 0.04 0.00 -0.38 0.00 0.00 39.34 38.24 3hto n TYR 659 CO 0.00 0.00 0.00 -0.35 -2.08 0.00 0.00 176.86 174.43