#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3htq h LEU 502 N 0.00 0.62 -3.07 0.99 5.85 -1.94 -2.97 115.31 114.79 3htq h LEU 502 Ca 0.00 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.58 3htq h LEU 502 Cb 0.00 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 40.87 3htq h LEU 502 CO 0.00 0.71 0.00 0.49 -0.34 0.00 0.00 178.44 179.30 3htq n PHE 503 N -4.23 1.63 -0.31 1.25 3.01 -1.26 -4.97 117.46 112.58 3htq n PHE 503 Ca 0.02 -0.59 0.00 0.00 1.01 0.00 0.00 57.45 57.88 3htq n PHE 503 Cb 0.29 -0.36 0.00 0.00 -0.01 0.00 0.00 39.48 39.40 3htq n PHE 503 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3htq n GLY 504 N 0.78 0.06 0.04 1.37 0.00 -1.12 -4.83 105.19 101.47 3htq n GLY 504 Ca 0.24 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.24 3htq n GLY 504 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3htq h ALA 505 N 0.00 0.00 -2.32 4.61 0.00 -1.87 -0.42 119.26 119.26 3htq h ALA 505 Ca 0.00 -0.28 -0.56 0.00 0.00 0.00 0.00 54.91 54.06 3htq h ALA 505 Cb 0.00 0.20 0.04 0.00 0.00 0.00 0.00 17.79 18.03 3htq h ALA 505 CO 0.00 0.20 1.02 -0.12 0.00 0.00 0.00 179.25 180.35 3htq n MET 506 N -3.56 2.46 -2.41 0.00 0.00 -1.26 -0.53 117.12 111.83 3htq n MET 506 Ca -0.03 0.90 -0.12 0.00 0.00 0.00 0.00 57.70 58.44 3htq n MET 506 Cb 0.11 -2.74 -0.01 0.00 0.00 0.00 0.00 33.22 30.58 3htq n MET 506 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3htq n ALA 507 N 5.20 -0.76 -2.30 -5.12 0.00 -1.14 -3.68 120.51 112.71 3htq n ALA 507 Ca 0.19 0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.73 3htq n ALA 507 Cb 0.33 -1.51 0.00 0.00 0.00 0.00 0.00 19.45 18.27 3htq n ALA 507 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3htq n GLY 508 N -0.79 2.31 0.00 0.00 0.00 0.31 -4.63 105.19 102.40 3htq n GLY 508 Ca -0.15 -0.17 0.12 0.00 0.00 0.00 0.00 46.02 45.83 3htq n GLY 508 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 3htq n PHE 509 N 0.00 0.00 -3.22 1.61 1.16 -0.17 -2.76 117.46 114.08 3htq n PHE 509 Ca 0.00 0.00 -0.24 0.00 -1.87 0.00 0.00 57.45 55.34 3htq n PHE 509 Cb 0.00 -0.11 -0.06 0.00 -1.61 0.00 0.00 39.48 37.70 3htq n PHE 509 CO 0.00 0.00 0.00 -0.89 -1.87 0.00 0.00 176.76 174.00 3htq n ILE 510 N -1.11 0.78 0.00 1.97 5.41 -0.76 -3.70 119.36 121.95 3htq n ILE 510 Ca 0.16 -4.67 0.00 0.00 1.00 0.00 0.00 62.75 59.24 3htq n ILE 510 Cb 0.13 -1.62 0.00 0.00 -0.71 0.00 0.00 39.64 37.43 3htq n ILE 510 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 176.55 174.71 3htq n GLU 511 N 0.83 0.00 -4.03 0.38 0.28 -1.11 -2.86 120.64 114.12 3htq n GLU 511 Ca 0.26 0.19 -0.10 0.00 -0.16 0.00 0.00 57.16 57.34 3htq n GLU 511 Cb 0.50 -1.66 -0.08 0.00 1.43 0.00 0.00 31.44 31.63 3htq n GLU 511 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 177.13 177.17 3htq s GLY 512 N -2.23 0.71 0.21 -1.84 0.00 -1.26 -4.49 107.32 98.43 3htq s GLY 512 Ca 0.00 -1.12 0.06 0.00 0.00 0.00 0.00 44.72 43.67 3htq s GLY 512 CO 0.00 -1.01 0.16 -0.32 0.00 0.00 0.00 173.10 171.93 3htq s GLY 513 N -3.01 1.56 -0.45 0.20 0.00 -1.26 -4.89 107.32 99.45 3htq s GLY 513 Ca 0.22 -1.34 -0.18 0.00 0.00 0.00 0.00 44.72 43.41 3htq s GLY 513 CO 0.02 -1.37 0.52 -0.98 0.00 0.00 0.00 173.10 171.30 3htq s TRP 514 N -1.97 3.12 0.21 1.90 0.51 -1.26 -4.87 118.94 116.59 3htq s TRP 514 Ca 0.32 -0.42 0.21 0.00 -2.12 0.00 0.00 56.10 54.08 3htq s TRP 514 Cb -0.09 -3.18 0.84 0.00 -0.81 0.00 0.00 33.47 30.23 3htq s TRP 514 CO 0.24 -0.84 1.81 0.00 -0.51 0.00 0.00 176.95 177.65 3htq h THR 515 N 5.80 0.80 0.00 2.01 1.03 -2.03 -2.72 112.91 117.80 3htq h THR 515 Ca -0.27 -1.28 -0.06 0.00 -0.01 0.00 0.00 66.41 64.79 3htq h THR 515 Cb 1.10 1.79 -0.01 0.00 -1.07 0.00 0.00 68.15 69.97 3htq h THR 515 CO 0.87 0.30 -0.30 1.23 -0.01 0.00 0.00 175.52 177.61 3htq h GLY 516 N 1.82 0.00 -6.70 2.99 0.00 -2.04 -3.40 103.07 95.74 3htq h GLY 516 Ca -0.00 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.75 3htq h GLY 516 CO 0.04 0.00 0.80 -0.29 0.00 0.00 0.00 176.54 177.09 3htq s MET 517 N -3.50 3.69 0.00 4.80 0.00 -1.03 -4.84 119.30 118.43 3htq s MET 517 Ca 0.01 0.47 0.08 0.00 0.00 0.00 0.00 55.69 56.25 3htq s MET 517 Cb 0.10 -3.90 0.01 0.00 0.00 0.00 0.00 34.83 31.03 3htq s MET 517 CO 0.67 -1.29 0.58 0.44 0.00 0.00 0.00 175.02 175.42 3htq n ILE 518 N 6.62 0.00 -1.28 10.11 -5.35 -1.26 -4.67 119.36 123.53 3htq n ILE 518 Ca 0.10 -0.43 -0.02 0.00 -0.27 0.00 0.00 62.75 62.13 3htq n ILE 518 Cb 0.49 1.10 0.22 0.00 -1.74 0.00 0.00 39.64 39.71 3htq n ILE 518 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 3htq n ASP 519 N -0.20 3.08 0.00 7.28 3.85 -1.26 -5.04 116.55 124.26 3htq n ASP 519 Ca 0.03 -3.51 0.00 0.00 -0.71 0.00 0.00 54.79 50.61 3htq n ASP 519 Cb 0.17 -0.63 0.00 0.00 -1.35 0.00 0.00 41.12 39.31 3htq n ASP 519 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3htq n GLY 520 N -0.91 -0.11 0.13 6.12 0.00 -1.26 -4.70 105.19 104.46 3htq n GLY 520 Ca 0.32 -1.02 -0.22 0.00 0.00 0.00 0.00 46.02 45.10 3htq n GLY 520 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 3htq h TRP 521 N 0.00 0.42 -4.38 1.61 6.55 -1.91 -3.47 115.95 114.77 3htq h TRP 521 Ca 0.00 -0.31 -0.59 0.00 0.95 0.00 0.00 58.89 58.95 3htq h TRP 521 Cb 0.00 -0.02 -0.29 0.00 -0.86 0.00 0.00 29.16 27.99 3htq h TRP 521 CO 0.00 1.72 -0.85 0.71 -1.05 0.00 0.00 178.44 178.97 3htq s TYR 522 N -2.52 1.77 0.00 0.49 2.02 -1.26 -5.06 117.35 112.79 3htq s TYR 522 Ca -0.23 -0.34 0.00 0.00 -0.37 0.00 0.00 57.07 56.13 3htq s TYR 522 Cb 0.06 -1.13 0.00 0.00 -0.40 0.00 0.00 41.96 40.49 3htq s TYR 522 CO 0.75 -0.02 0.00 0.41 -1.57 0.00 0.00 175.55 175.11 3htq n GLY 523 N 2.53 1.96 3.52 0.71 0.00 -1.26 -0.37 105.19 112.29 3htq n GLY 523 Ca -0.15 -0.72 -0.25 0.00 0.00 0.00 0.00 46.02 44.90 3htq n GLY 523 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3htq s TYR 524 N -2.99 2.36 -0.21 1.61 1.51 0.11 -4.84 117.35 114.89 3htq s TYR 524 Ca 0.00 -0.46 -0.04 0.00 -1.01 0.00 0.00 57.07 55.56 3htq s TYR 524 Cb 0.00 -1.26 0.11 0.00 -0.11 0.00 0.00 41.96 40.70 3htq s TYR 524 CO 0.00 0.61 0.32 -1.58 -1.11 0.00 0.00 175.55 173.80 3htq s HIS 525 N -2.59 -0.61 0.35 2.71 2.46 -1.26 -1.07 115.29 115.27 3htq s HIS 525 Ca 0.32 0.76 0.08 0.00 0.47 0.00 0.00 55.06 56.68 3htq s HIS 525 Cb 0.00 -0.06 -0.03 0.00 -0.13 0.00 0.00 32.58 32.36 3htq s HIS 525 CO 0.16 -0.61 0.24 -3.38 -2.47 0.00 0.00 174.74 168.68 3htq s HIS 526 N 2.47 2.80 -0.29 3.88 -3.43 -1.01 -4.95 115.29 114.75 3htq s HIS 526 Ca 0.08 -0.37 0.02 0.00 -0.80 0.00 0.00 55.06 53.99 3htq s HIS 526 Cb -0.15 -1.79 0.16 0.00 -1.43 0.00 0.00 32.58 29.37 3htq s HIS 526 CO -0.13 0.20 0.39 -1.14 -2.00 0.00 0.00 174.74 172.06 3htq s GLN 527 N -3.95 0.41 0.48 -0.38 2.00 -1.26 -2.66 119.66 114.30 3htq s GLN 527 Ca 0.41 0.04 0.03 0.00 -2.00 0.00 0.00 55.36 53.83 3htq s GLN 527 Cb -0.04 -0.38 -0.03 0.00 0.80 0.00 0.00 33.01 33.37 3htq s GLN 527 CO 0.25 -1.04 0.01 0.54 -0.50 0.00 0.00 175.29 174.55 3htq s ASN 528 N 2.46 3.98 0.42 6.67 4.22 -0.74 -5.01 114.94 126.94 3htq s ASN 528 Ca 0.10 -1.59 0.28 0.00 -2.14 0.00 0.00 52.86 49.51 3htq s ASN 528 Cb -0.13 0.32 1.52 0.00 1.28 0.00 0.00 41.25 44.24 3htq s ASN 528 CO -0.30 -0.77 1.86 -0.33 -2.04 0.00 0.00 177.10 175.53 3htq h GLU 529 N 1.48 0.00 0.00 3.55 5.08 -2.00 -2.42 114.58 120.26 3htq h GLU 529 Ca -0.43 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.93 3htq h GLU 529 Cb 1.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.55 3htq h GLU 529 CO 0.75 0.00 -0.73 0.94 -1.00 0.00 0.00 179.01 178.97 3htq n GLN 530 N -2.49 0.11 -2.45 2.33 -0.06 -1.26 -5.06 117.38 108.50 3htq n GLN 530 Ca -0.02 0.01 0.00 0.00 -2.00 0.00 0.00 57.00 54.99 3htq n GLN 530 Cb 0.05 -1.55 0.00 0.00 -4.06 0.00 0.00 30.24 24.69 3htq n GLN 530 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3htq n GLY 531 N 1.44 -0.20 3.53 1.69 0.00 -0.91 -5.11 105.19 105.63 3htq n GLY 531 Ca 0.04 -1.45 -0.11 0.00 0.00 0.00 0.00 46.02 44.50 3htq n GLY 531 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3htq s SER 532 N -4.00 -0.47 0.00 1.61 1.04 -1.26 -1.79 113.70 108.83 3htq s SER 532 Ca 0.00 -0.18 0.00 0.00 0.48 0.00 0.00 55.95 56.25 3htq s SER 532 Cb 0.00 0.63 0.00 0.00 0.10 0.00 0.00 66.02 66.75 3htq s SER 532 CO 0.00 -1.06 0.00 0.61 0.98 0.00 0.00 173.24 173.77 3htq n GLY 533 N -0.39 1.15 3.87 7.32 0.00 -1.09 -5.00 105.19 111.06 3htq n GLY 533 Ca -0.14 -0.86 -0.37 0.00 0.00 0.00 0.00 46.02 44.66 3htq n GLY 533 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3htq s TYR 534 N -2.00 3.61 -0.12 1.61 1.51 -1.26 -2.41 117.35 118.29 3htq s TYR 534 Ca 0.00 0.57 -0.04 0.00 -1.01 0.00 0.00 57.07 56.59 3htq s TYR 534 Cb 0.00 -1.97 0.06 0.00 -0.11 0.00 0.00 41.96 39.93 3htq s TYR 534 CO 0.00 0.73 0.23 0.00 -1.11 0.00 0.00 175.55 175.40 3htq s ALA 535 N -1.02 -0.45 0.36 3.71 0.00 -0.24 -4.95 121.76 119.18 3htq s ALA 535 Ca 0.16 0.83 -0.26 0.00 0.00 0.00 0.00 51.96 52.69 3htq s ALA 535 Cb -0.12 -0.95 -0.09 0.00 0.00 0.00 0.00 23.12 21.96 3htq s ALA 535 CO 0.05 -0.60 1.11 0.00 0.00 0.00 0.00 175.76 176.31 3htq s ALA 536 N 2.34 3.21 -0.36 0.00 0.00 -1.26 0.08 121.76 125.76 3htq s ALA 536 Ca 0.01 0.85 -0.29 0.00 0.00 0.00 0.00 51.96 52.53 3htq s ALA 536 Cb -0.12 -3.33 0.02 0.00 0.00 0.00 0.00 23.12 19.69 3htq s ALA 536 CO -0.08 -0.30 1.17 0.34 0.00 0.00 0.00 175.76 176.88 3htq s ASP 537 N -1.21 6.76 0.03 0.00 3.68 0.51 -4.84 116.67 121.60 3htq s ASP 537 Ca 0.53 0.92 -0.25 0.00 2.13 0.00 0.00 52.55 55.89 3htq s ASP 537 Cb -0.28 -2.54 -0.18 0.00 -1.45 0.00 0.00 42.92 38.47 3htq s ASP 537 CO 0.35 -1.06 1.49 -0.61 0.13 0.00 0.00 175.17 175.47 3htq h GLN 538 N 8.83 -0.04 0.10 4.34 5.75 -1.93 -2.47 115.11 129.69 3htq h GLN 538 Ca -0.23 0.00 0.02 0.00 -0.15 0.00 0.00 58.65 58.30 3htq h GLN 538 Cb 1.07 0.01 -0.04 0.00 1.07 0.00 0.00 27.48 29.59 3htq h GLN 538 CO 1.06 0.21 -0.32 -0.22 -2.65 0.00 0.00 178.83 176.91 3htq h LYS 539 N -0.29 -0.51 0.00 1.69 3.11 -1.98 0.62 116.57 119.22 3htq h LYS 539 Ca -0.00 0.03 -0.08 0.00 -2.81 0.00 0.00 60.65 57.79 3htq h LYS 539 Cb 0.27 0.12 -0.01 0.00 -1.00 0.00 0.00 32.23 31.60 3htq h LYS 539 CO 0.01 -0.34 -0.37 0.66 -2.81 0.00 0.00 179.45 176.59 3htq h SER 540 N -0.53 0.00 0.09 4.20 4.64 -1.95 -2.03 113.55 117.97 3htq h SER 540 Ca 0.04 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.35 3htq h SER 540 Cb 0.57 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.66 3htq h SER 540 CO -0.20 0.37 -0.04 0.74 -0.87 0.00 0.00 176.83 176.83 3htq h THR 541 N 0.00 1.15 -0.21 2.95 2.02 -1.04 -2.15 112.91 115.64 3htq h THR 541 Ca -0.00 -1.19 0.06 0.00 0.77 0.00 0.00 66.41 66.04 3htq h THR 541 Cb 0.69 1.88 -0.06 0.00 -1.74 0.00 0.00 68.15 68.92 3htq h THR 541 CO 0.05 0.28 -0.23 1.56 0.37 0.00 0.00 175.52 177.55 3htq h GLN 542 N -0.70 -0.24 -0.66 6.66 1.08 -0.82 0.02 115.11 120.46 3htq h GLN 542 Ca -0.01 0.02 0.11 0.00 -1.45 0.00 0.00 58.65 57.32 3htq h GLN 542 Cb 0.55 0.05 -0.08 0.00 -0.05 0.00 0.00 27.48 27.95 3htq h GLN 542 CO 0.02 -0.16 0.24 -0.91 -0.95 0.00 0.00 178.83 177.07 3htq h ASN 543 N -0.25 0.21 -0.63 1.46 2.35 -1.42 0.39 115.58 117.69 3htq h ASN 543 Ca 0.13 0.09 0.03 0.00 -0.55 0.00 0.00 56.30 56.00 3htq h ASN 543 Cb 0.44 0.08 -0.04 0.00 0.05 0.00 0.00 38.32 38.85 3htq h ASN 543 CO -0.35 0.11 0.38 0.00 -1.65 0.00 0.00 177.43 175.92 3htq h ALA 544 N 1.47 0.81 0.76 -0.83 0.00 -0.57 0.18 119.26 121.08 3htq h ALA 544 Ca 0.34 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.21 3htq h ALA 544 Cb 0.47 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 3htq h ALA 544 CO -0.35 0.12 -0.50 0.82 0.00 0.00 0.00 179.25 179.34 3htq h ILE 545 N 0.75 0.01 -0.74 0.00 1.08 0.11 0.15 117.51 118.87 3htq h ILE 545 Ca 0.25 0.00 0.15 0.00 -0.39 0.00 0.00 64.86 64.87 3htq h ILE 545 Cb 0.03 0.01 -0.14 0.00 -3.07 0.00 0.00 36.82 33.65 3htq h ILE 545 CO -0.11 0.00 -0.18 0.44 -0.69 0.00 0.00 178.15 177.61 3htq h ASP 546 N -1.19 -0.67 0.71 1.72 5.19 -0.00 0.36 116.42 122.53 3htq h ASP 546 Ca -0.10 0.22 -0.03 0.00 -0.62 0.00 0.00 57.03 56.49 3htq h ASP 546 Cb 0.96 0.45 0.01 0.00 0.18 0.00 0.00 39.33 40.93 3htq h ASP 546 CO 0.08 -0.24 -0.34 1.23 -3.12 0.00 0.00 179.24 176.85 3htq h GLY 547 N 0.00 -0.99 0.47 2.75 0.00 -0.58 0.76 103.07 105.48 3htq h GLY 547 Ca 0.35 0.37 0.11 0.00 0.00 0.00 0.00 47.33 48.17 3htq h GLY 547 CO -0.75 -0.36 0.55 -2.22 0.00 0.00 0.00 176.54 173.76 3htq h ILE 548 N -1.09 0.90 0.15 2.60 1.08 -0.36 0.22 117.51 120.99 3htq h ILE 548 Ca -0.10 -0.30 0.01 0.00 -0.39 0.00 0.00 64.86 64.08 3htq h ILE 548 Cb 0.76 -0.07 -0.02 0.00 -3.07 0.00 0.00 36.82 34.42 3htq h ILE 548 CO 0.16 0.16 -0.18 0.74 -0.69 0.00 0.00 178.15 178.35 3htq h THR 549 N 0.88 0.61 -0.08 -0.27 2.02 -0.17 -0.63 112.91 115.27 3htq h THR 549 Ca 0.46 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.60 3htq h THR 549 Cb 0.46 0.61 -0.01 0.00 -1.74 0.00 0.00 68.15 67.47 3htq h THR 549 CO -0.27 0.00 -0.10 -1.13 0.37 0.00 0.00 175.52 174.39 3htq h ASN 550 N -0.37 0.12 0.16 4.18 -0.73 0.21 -2.38 115.58 116.78 3htq h ASN 550 Ca 0.01 -0.02 -0.01 0.00 1.87 0.00 0.00 56.30 58.15 3htq h ASN 550 Cb 0.36 -0.03 0.00 0.00 0.27 0.00 0.00 38.32 38.92 3htq h ASN 550 CO -0.06 0.24 -0.08 0.50 -0.37 0.00 0.00 177.43 177.66 3htq h LYS 551 N 0.12 -0.21 0.02 6.67 3.64 0.15 -2.03 116.57 124.93 3htq h LYS 551 Ca 0.03 0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.45 3htq h LYS 551 Cb 0.27 0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.09 3htq h LYS 551 CO 0.02 0.06 -0.27 0.28 -2.27 0.00 0.00 179.45 177.27 3htq h VAL 552 N -0.48 0.40 -0.50 2.00 2.07 -0.88 -1.95 116.25 116.92 3htq h VAL 552 Ca -0.02 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.60 3htq h VAL 552 Cb 0.37 0.40 -0.09 0.00 -1.52 0.00 0.00 31.29 30.45 3htq h VAL 552 CO 0.04 0.00 -0.11 0.78 0.02 0.00 0.00 177.57 178.29 3htq h ASN 553 N -0.42 -0.44 -0.35 0.57 -0.26 -1.42 -1.59 115.58 111.67 3htq h ASN 553 Ca 0.06 0.15 0.07 0.00 -0.56 0.00 0.00 56.30 56.01 3htq h ASN 553 Cb 0.49 0.30 -0.09 0.00 -1.06 0.00 0.00 38.32 37.97 3htq h ASN 553 CO -0.22 -0.16 -0.39 0.28 -1.06 0.00 0.00 177.43 175.89 3htq h SER 554 N 0.01 -1.27 -0.18 5.81 0.02 -0.62 2.47 113.55 119.79 3htq h SER 554 Ca 0.24 0.20 0.05 0.00 -0.84 0.00 0.00 61.79 61.44 3htq h SER 554 Cb 0.37 0.56 -0.01 0.00 0.14 0.00 0.00 62.40 63.46 3htq h SER 554 CO -0.50 -0.36 0.24 0.40 -1.14 0.00 0.00 176.83 175.47 3htq h ILE 555 N -0.33 0.35 0.00 3.27 2.04 -0.78 0.52 117.51 122.59 3htq h ILE 555 Ca 0.14 0.00 -0.37 0.00 1.00 0.00 0.00 64.86 65.63 3htq h ILE 555 Cb 0.57 0.80 -0.06 0.00 -0.74 0.00 0.00 36.82 37.39 3htq h ILE 555 CO -0.53 0.00 -2.14 -0.38 0.00 0.00 0.00 178.15 175.10 3htq n ILE 556 N -3.61 1.53 -0.29 -0.67 5.41 0.56 -4.47 119.36 117.81 3htq n ILE 556 Ca 0.02 -0.26 0.02 0.00 1.00 0.00 0.00 62.75 63.52 3htq n ILE 556 Cb 0.36 -1.96 0.15 0.00 -0.71 0.00 0.00 39.64 37.48 3htq n ILE 556 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 3htq h GLU 557 N -1.00 0.80 0.00 0.38 4.39 0.43 -2.10 114.58 117.48 3htq h GLU 557 Ca -0.56 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.09 3htq h GLU 557 Cb 1.48 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 29.95 3htq h GLU 557 CO -0.34 0.53 0.00 1.63 -1.16 0.00 0.00 179.01 179.67 3htq n LYS 558 N -4.71 0.24 -2.80 2.33 4.76 0.15 -4.52 118.16 113.61 3htq n LYS 558 Ca 0.13 0.13 -0.43 0.00 -2.87 0.00 0.00 58.31 55.27 3htq n LYS 558 Cb 0.24 -1.50 -0.03 0.00 -1.84 0.00 0.00 35.03 31.89 3htq n LYS 558 CO 0.00 0.00 0.00 1.41 -1.37 0.00 0.00 177.40 177.44 3htq s MET 559 N -2.43 3.32 0.00 1.97 1.75 -0.79 -5.00 119.30 118.12 3htq s MET 559 Ca 0.14 -1.06 -0.22 0.00 -1.25 0.00 0.00 55.69 53.30 3htq s MET 559 Cb 0.09 -4.57 -0.05 0.00 2.84 0.00 0.00 34.83 33.13 3htq s MET 559 CO 0.18 -1.90 0.65 1.21 -0.65 0.00 0.00 175.02 174.51 3htq s ASN 560 N 3.85 7.03 -0.10 1.11 3.04 -1.26 -5.07 114.94 123.55 3htq s ASN 560 Ca 0.30 1.23 -0.07 0.00 0.04 0.00 0.00 52.86 54.37 3htq s ASN 560 Cb -0.10 -2.39 0.04 0.00 -1.54 0.00 0.00 41.25 37.25 3htq s ASN 560 CO 0.03 0.06 0.25 0.42 -3.04 0.00 0.00 177.10 174.82 3htq s THR 561 N -0.07 -0.02 0.36 -5.21 -4.23 -1.26 -5.16 115.64 100.04 3htq s THR 561 Ca 0.33 0.09 0.07 0.00 -1.18 0.00 0.00 61.69 61.00 3htq s THR 561 Cb -0.19 -0.37 -0.02 0.00 1.34 0.00 0.00 72.50 73.26 3htq s THR 561 CO 0.19 0.04 0.36 0.00 -0.54 0.00 0.00 174.62 174.66 3htq s GLN 562 N 0.81 2.74 0.14 3.99 0.00 -1.26 -5.05 119.66 121.03 3htq s GLN 562 Ca -0.06 -1.31 -0.32 0.00 -0.00 0.00 0.00 55.36 53.67 3htq s GLN 562 Cb -0.07 -2.52 -0.12 0.00 0.00 0.00 0.00 33.01 30.30 3htq s GLN 562 CO -0.05 -0.01 1.78 0.34 0.00 0.00 0.00 175.29 177.35 3htq n PHE 563 N -1.49 2.59 -3.74 9.60 7.35 -1.26 -4.97 117.46 125.55 3htq n PHE 563 Ca 0.01 -0.04 -0.13 0.00 -0.76 0.00 0.00 57.45 56.53 3htq n PHE 563 Cb 0.60 -2.69 -0.08 0.00 0.35 0.00 0.00 39.48 37.66 3htq n PHE 563 CO 0.00 0.00 0.00 0.99 -0.76 0.00 0.00 176.76 176.99 3htq s THR 564 N 2.16 0.06 -0.32 -2.13 2.01 -1.26 -5.11 115.64 111.05 3htq s THR 564 Ca 0.80 -0.50 0.02 0.00 0.31 0.00 0.00 61.69 62.33 3htq s THR 564 Cb -0.53 -0.74 0.10 0.00 0.01 0.00 0.00 72.50 71.34 3htq s THR 564 CO 0.37 -0.27 0.06 0.00 -0.69 0.00 0.00 174.62 174.08 3htq s ALA 565 N -1.71 2.40 0.11 7.40 0.00 -1.26 -5.02 121.76 123.68 3htq s ALA 565 Ca -0.11 -2.18 -0.28 0.00 0.00 0.00 0.00 51.96 49.39 3htq s ALA 565 Cb -0.03 -1.82 -0.09 0.00 0.00 0.00 0.00 23.12 21.17 3htq s ALA 565 CO 0.02 -1.65 1.63 0.28 0.00 0.00 0.00 175.76 176.05 3htq h VAL 566 N 6.58 0.39 -2.55 0.00 2.07 -2.02 -3.45 116.25 117.28 3htq h VAL 566 Ca -0.08 0.00 -0.58 0.00 0.82 0.00 0.00 66.70 66.86 3htq h VAL 566 Cb 1.02 0.39 0.18 0.00 -1.52 0.00 0.00 31.29 31.37 3htq h VAL 566 CO 0.50 0.00 -0.81 0.61 0.02 0.00 0.00 177.57 177.89 3htq n GLY 567 N -1.39 -2.43 1.37 2.17 0.00 -1.26 -5.00 105.19 98.64 3htq n GLY 567 Ca -0.07 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.69 3htq n GLY 567 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3htq n LYS 568 N 0.65 0.00 -1.37 1.61 4.76 -1.26 -5.15 118.16 117.39 3htq n LYS 568 Ca 0.09 0.00 -0.00 0.00 -2.87 0.00 0.00 58.31 55.53 3htq n LYS 568 Cb 0.48 -0.32 -0.00 0.00 -1.84 0.00 0.00 35.03 33.35 3htq n LYS 568 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 3htq n GLU 569 N -3.08 -0.33 -4.42 1.97 1.02 -1.26 -5.10 120.64 109.43 3htq n GLU 569 Ca 0.00 0.71 -0.20 0.00 -0.02 0.00 0.00 57.16 57.65 3htq n GLU 569 Cb 0.20 -1.07 -0.15 0.00 -0.02 0.00 0.00 31.44 30.40 3htq n GLU 569 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 3htq s PHE 570 N -0.04 0.95 0.76 -0.32 0.40 -1.26 -5.12 117.98 113.34 3htq s PHE 570 Ca -0.01 -0.21 -0.12 0.00 -0.60 0.00 0.00 56.93 55.99 3htq s PHE 570 Cb 0.00 -0.64 0.05 0.00 0.51 0.00 0.00 43.02 42.94 3htq s PHE 570 CO 0.03 -0.06 1.13 0.54 0.70 0.00 0.00 175.22 177.57 3htq s ASN 571 N -0.04 4.91 0.00 1.36 2.20 -1.26 -4.87 114.94 117.24 3htq s ASN 571 Ca 0.01 1.00 0.00 0.00 -0.94 0.00 0.00 52.86 52.92 3htq s ASN 571 Cb -0.06 -1.66 0.00 0.00 -2.00 0.00 0.00 41.25 37.53 3htq s ASN 571 CO 0.00 -1.67 0.69 -0.46 -2.94 0.00 0.00 177.10 172.72 3htq n ASN 572 N -3.20 0.00 -0.70 3.54 2.04 -1.26 -0.25 115.26 115.44 3htq n ASN 572 Ca 0.07 0.23 0.07 0.00 -0.44 0.00 0.00 54.58 54.51 3htq n ASN 572 Cb 0.59 -0.23 0.20 0.00 -2.53 0.00 0.00 39.78 37.81 3htq n ASN 572 CO 0.00 0.00 0.00 0.18 -0.44 0.00 0.00 177.26 177.00 3htq n LEU 573 N -1.19 3.36 -2.14 -4.53 4.77 -1.26 -4.50 117.00 111.52 3htq n LEU 573 Ca 0.00 -2.64 -0.12 0.00 -0.03 0.00 0.00 56.01 53.22 3htq n LEU 573 Cb 0.19 -0.41 0.05 0.00 -2.33 0.00 0.00 43.42 40.92 3htq n LEU 573 CO 0.00 0.69 0.13 -0.62 -1.33 0.00 0.00 177.39 176.25 3htq n GLU 574 N -0.25 2.61 -0.11 3.23 1.02 0.66 -4.86 120.64 122.94 3htq n GLU 574 Ca 0.17 -3.75 -0.09 0.00 -0.02 0.00 0.00 57.16 53.46 3htq n GLU 574 Cb 0.69 -1.87 -0.01 0.00 -0.02 0.00 0.00 31.44 30.23 3htq n GLU 574 CO 0.00 0.00 0.00 -0.09 1.18 0.00 0.00 177.13 178.22 3htq h ARG 575 N 2.15 0.48 0.34 3.49 9.65 -1.79 -0.15 114.38 128.56 3htq h ARG 575 Ca 0.13 -0.05 -0.00 0.00 -1.10 0.00 0.00 59.98 58.96 3htq h ARG 575 Cb 1.42 -0.10 -0.03 0.00 -1.39 0.00 0.00 29.97 29.87 3htq h ARG 575 CO 0.46 0.39 -0.49 0.00 2.80 0.00 0.00 179.97 183.13 3htq h ARG 576 N 0.44 -0.85 0.00 0.20 3.08 -1.96 0.76 114.38 116.05 3htq h ARG 576 Ca 0.12 0.06 -0.03 0.00 0.07 0.00 0.00 59.98 60.20 3htq h ARG 576 Cb 0.04 0.19 -0.00 0.00 0.08 0.00 0.00 29.97 30.28 3htq h ARG 576 CO -0.02 -0.57 -0.15 -0.84 -1.07 0.00 0.00 179.97 177.33 3htq h ILE 577 N -0.88 0.59 -0.19 2.04 3.07 -1.95 0.18 117.51 120.36 3htq h ILE 577 Ca -0.03 -0.66 -0.07 0.00 1.55 0.00 0.00 64.86 65.65 3htq h ILE 577 Cb 0.81 1.43 -0.00 0.00 -0.27 0.00 0.00 36.82 38.78 3htq h ILE 577 CO -0.15 0.14 -0.14 -0.08 -1.05 0.00 0.00 178.15 176.87 3htq h GLU 578 N 0.00 0.44 0.00 0.16 4.81 0.10 0.06 114.58 120.15 3htq h GLU 578 Ca -0.00 -0.21 -0.04 0.00 -0.13 0.00 0.00 59.36 58.97 3htq h GLU 578 Cb 0.41 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.79 3htq h GLU 578 CO 0.02 0.76 -0.20 -0.91 -0.73 0.00 0.00 179.01 177.95 3htq h ASN 579 N 0.11 0.00 -0.21 1.04 2.35 0.14 -0.57 115.58 118.44 3htq h ASN 579 Ca 0.04 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.70 3htq h ASN 579 Cb 0.66 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.03 3htq h ASN 579 CO 0.04 0.20 -0.21 0.25 -1.65 0.00 0.00 177.43 176.06 3htq h LEU 580 N 0.00 0.54 -1.15 1.61 6.46 -0.26 -0.36 115.31 122.15 3htq h LEU 580 Ca -0.00 -0.48 0.05 0.00 -0.12 0.00 0.00 57.88 57.33 3htq h LEU 580 Cb 0.46 -0.15 -0.06 0.00 -0.73 0.00 0.00 40.66 40.19 3htq h LEU 580 CO 0.03 0.91 0.58 -1.13 -0.62 0.00 0.00 178.44 178.20 3htq h ASN 581 N 0.18 0.92 0.32 1.25 -1.24 -0.28 -1.34 115.58 115.39 3htq h ASN 581 Ca 0.03 -0.00 -0.02 0.00 0.71 0.00 0.00 56.30 57.03 3htq h ASN 581 Cb 0.75 -0.20 0.00 0.00 0.73 0.00 0.00 38.32 39.61 3htq h ASN 581 CO 0.05 0.60 -0.16 0.50 -1.29 0.00 0.00 177.43 177.14 3htq h LYS 582 N 1.05 -0.42 -0.95 6.67 1.63 -0.73 -1.61 116.57 122.21 3htq h LYS 582 Ca 0.37 0.03 0.20 0.00 -0.85 0.00 0.00 60.65 60.40 3htq h LYS 582 Cb 0.13 0.10 -0.11 0.00 -0.60 0.00 0.00 32.23 31.75 3htq h LYS 582 CO -0.13 -0.25 0.53 -0.22 -3.45 0.00 0.00 179.45 175.93 3htq h LYS 583 N -0.48 0.61 0.29 1.90 3.64 -0.21 0.45 116.57 122.77 3htq h LYS 583 Ca -0.04 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.28 3htq h LYS 583 Cb 0.36 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 3htq h LYS 583 CO 0.07 0.40 -0.14 0.28 -2.27 0.00 0.00 179.45 177.80 3htq h VAL 584 N 0.63 0.74 0.56 2.00 2.07 -0.98 0.48 116.25 121.75 3htq h VAL 584 Ca 0.56 -0.49 -0.02 0.00 0.82 0.00 0.00 66.70 67.57 3htq h VAL 584 Cb 0.94 1.01 -0.01 0.00 -1.52 0.00 0.00 31.29 31.70 3htq h VAL 584 CO -0.42 0.10 -0.44 0.44 0.02 0.00 0.00 177.57 177.27 3htq h ASP 585 N -0.66 -1.15 -0.74 0.57 5.19 -0.21 0.17 116.42 119.59 3htq h ASP 585 Ca -0.04 0.08 0.10 0.00 -0.62 0.00 0.00 57.03 56.55 3htq h ASP 585 Cb 0.46 0.36 -0.07 0.00 0.18 0.00 0.00 39.33 40.26 3htq h ASP 585 CO 0.07 -0.63 0.38 0.44 -3.12 0.00 0.00 179.24 176.37 3htq h ASP 586 N -0.98 0.50 0.05 6.45 3.32 -0.23 0.38 116.42 125.91 3htq h ASP 586 Ca -0.07 0.06 0.01 0.00 0.02 0.00 0.00 57.03 57.05 3htq h ASP 586 Cb 0.82 -0.02 -0.03 0.00 0.22 0.00 0.00 39.33 40.32 3htq h ASP 586 CO 0.01 0.28 -0.32 1.23 -1.72 0.00 0.00 179.24 178.72 3htq h GLY 587 N 0.63 -1.21 1.54 2.75 0.00 0.79 -1.42 103.07 106.17 3htq h GLY 587 Ca 0.37 0.61 -0.02 0.00 0.00 0.00 0.00 47.33 48.29 3htq h GLY 587 CO -0.27 -0.35 0.18 0.74 0.00 0.00 0.00 176.54 176.84 3htq h PHE 588 N -0.43 0.59 0.00 5.60 0.05 -0.49 -1.51 116.94 120.74 3htq h PHE 588 Ca -0.00 -0.02 0.00 0.00 3.82 0.00 0.00 57.97 61.77 3htq h PHE 588 Cb 0.45 -0.19 0.00 0.00 2.00 0.00 0.00 35.95 38.21 3htq h PHE 588 CO -0.41 0.45 0.00 1.28 -0.18 0.00 0.00 178.31 179.45 3htq n LEU 589 N -4.38 0.30 -0.01 1.54 4.77 0.10 -1.68 117.00 117.63 3htq n LEU 589 Ca 0.03 -0.15 -0.01 0.00 -0.03 0.00 0.00 56.01 55.85 3htq n LEU 589 Cb 0.14 -0.15 -0.01 0.00 -2.33 0.00 0.00 43.42 41.07 3htq n LEU 589 CO 0.37 0.07 -0.57 0.47 -1.33 0.00 0.00 177.39 176.40 3htq n ASP 590 N -0.30 4.16 0.25 -1.43 9.92 -0.60 -4.32 116.55 124.23 3htq n ASP 590 Ca 0.00 -0.01 -0.10 0.00 -0.53 0.00 0.00 54.79 54.15 3htq n ASP 590 Cb 0.07 0.25 -0.05 0.00 -0.64 0.00 0.00 41.12 40.76 3htq n ASP 590 CO 0.00 0.00 0.00 0.58 0.13 0.00 0.00 177.20 177.91 3htq h VAL 591 N 0.00 0.00 -0.75 2.53 2.07 -1.00 -2.39 116.25 116.72 3htq h VAL 591 Ca -0.05 -0.15 0.15 0.00 0.82 0.00 0.00 66.70 67.46 3htq h VAL 591 Cb 1.10 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.82 3htq h VAL 591 CO -0.00 0.00 0.50 -0.50 0.02 0.00 0.00 177.57 177.59 3htq h TRP 592 N -0.80 0.46 0.36 1.57 4.06 -1.61 0.11 115.95 120.10 3htq h TRP 592 Ca -0.07 0.01 -0.02 0.00 2.06 0.00 0.00 58.89 60.88 3htq h TRP 592 Cb 0.49 -0.15 0.00 0.00 -1.00 0.00 0.00 29.16 28.51 3htq h TRP 592 CO 0.07 0.17 -0.17 1.15 -3.56 0.00 0.00 178.44 176.10 3htq h THR 593 N 0.39 0.62 -0.55 1.49 2.02 -1.74 0.50 112.91 115.63 3htq h THR 593 Ca 0.37 -0.51 0.00 0.00 0.77 0.00 0.00 66.41 67.04 3htq h THR 593 Cb 0.87 0.86 -0.03 0.00 -1.74 0.00 0.00 68.15 68.11 3htq h THR 593 CO -0.11 0.09 0.36 0.22 0.37 0.00 0.00 175.52 176.44 3htq h TYR 594 N -0.78 0.71 0.63 3.16 3.20 -0.99 -0.82 116.97 122.08 3htq h TYR 594 Ca -0.05 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.80 3htq h TYR 594 Cb 0.52 -0.24 0.01 0.00 1.54 0.00 0.00 36.73 38.56 3htq h TYR 594 CO 0.01 0.46 -0.30 -0.91 -1.64 0.00 0.00 178.16 175.78 3htq h ASN 595 N 0.75 -0.72 -0.52 -2.11 4.21 -0.76 -0.56 115.58 115.87 3htq h ASN 595 Ca 0.20 -0.02 0.10 0.00 1.21 0.00 0.00 56.30 57.79 3htq h ASN 595 Cb -0.06 0.19 -0.08 0.00 -1.12 0.00 0.00 38.32 37.24 3htq h ASN 595 CO -0.04 -0.37 0.03 0.00 -1.29 0.00 0.00 177.43 175.76 3htq h ALA 596 N -0.94 0.52 0.27 -0.83 0.00 0.01 0.77 119.26 119.05 3htq h ALA 596 Ca -0.09 0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.97 3htq h ALA 596 Cb 0.69 0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.68 3htq h ALA 596 CO 0.14 -0.37 -0.44 1.49 0.00 0.00 0.00 179.25 180.07 3htq h GLU 597 N 0.15 -0.75 -0.22 0.00 4.57 -1.11 -1.53 114.58 115.68 3htq h GLU 597 Ca 0.26 0.05 -0.10 0.00 -1.18 0.00 0.00 59.36 58.39 3htq h GLU 597 Cb 0.39 0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 29.14 3htq h GLU 597 CO -0.41 -0.50 -0.32 -0.07 -1.18 0.00 0.00 179.01 176.53 3htq h LEU 598 N -0.78 0.45 -0.72 1.64 3.38 -0.58 -1.91 115.31 116.80 3htq h LEU 598 Ca -0.01 -0.17 0.10 0.00 0.09 0.00 0.00 57.88 57.89 3htq h LEU 598 Cb 0.74 -0.12 -0.07 0.00 0.09 0.00 0.00 40.66 41.29 3htq h LEU 598 CO -0.16 0.75 0.35 0.25 0.09 0.00 0.00 178.44 179.72 3htq h LEU 599 N 0.38 0.45 0.18 1.67 5.85 0.87 0.20 115.31 124.92 3htq h LEU 599 Ca 0.05 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 3htq h LEU 599 Cb 0.75 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.77 3htq h LEU 599 CO 0.06 0.25 -0.09 0.58 -0.34 0.00 0.00 178.44 178.90 3htq h VAL 600 N 0.59 0.89 -0.89 1.05 2.07 -1.00 -0.97 116.25 118.00 3htq h VAL 600 Ca 0.36 -0.94 0.19 0.00 0.82 0.00 0.00 66.70 67.12 3htq h VAL 600 Cb 0.39 1.41 -0.11 0.00 -1.52 0.00 0.00 31.29 31.46 3htq h VAL 600 CO -0.28 0.20 0.44 -0.07 0.02 0.00 0.00 177.57 177.88 3htq h LEU 601 N -0.75 0.47 0.13 2.57 3.38 -1.01 0.11 115.31 120.20 3htq h LEU 601 Ca -0.03 0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 3htq h LEU 601 Cb 0.51 0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.32 3htq h LEU 601 CO 0.04 0.13 -0.06 -0.07 0.09 0.00 0.00 178.44 178.57 3htq h LEU 602 N 0.54 -0.14 -2.53 1.67 3.38 -0.99 -2.85 115.31 114.39 3htq h LEU 602 Ca 0.52 -0.41 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 3htq h LEU 602 Cb 0.87 0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.66 3htq h LEU 602 CO -0.44 0.45 -0.02 -0.33 0.09 0.00 0.00 178.44 178.19 3htq h GLU 603 N -0.84 0.00 -0.03 1.13 4.39 -0.88 -0.63 114.58 117.71 3htq h GLU 603 Ca -0.02 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.66 3htq h GLU 603 Cb 0.55 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.20 3htq h GLU 603 CO 0.03 0.02 -0.06 -0.91 -1.16 0.00 0.00 179.01 176.93 3htq h ASN 604 N 0.00 0.11 -0.31 1.42 2.35 -0.82 0.14 115.58 118.48 3htq h ASN 604 Ca -0.00 -0.55 0.05 0.00 -0.55 0.00 0.00 56.30 55.25 3htq h ASN 604 Cb 0.07 -0.03 -0.05 0.00 0.05 0.00 0.00 38.32 38.37 3htq h ASN 604 CO 0.00 0.63 0.02 -0.08 -1.65 0.00 0.00 177.43 176.36 3htq h GLU 605 N -0.41 0.11 -0.19 0.81 4.57 -1.09 -1.05 114.58 117.33 3htq h GLU 605 Ca 0.00 -0.01 0.04 0.00 -1.18 0.00 0.00 59.36 58.22 3htq h GLU 605 Cb 0.61 -0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 29.13 3htq h GLU 605 CO 0.01 0.07 -0.09 0.00 -1.18 0.00 0.00 179.01 177.83 3htq h ARG 606 N 0.12 -0.06 -0.21 1.92 2.47 -1.05 -0.07 114.38 117.50 3htq h ARG 606 Ca 0.15 0.00 0.03 0.00 -1.26 0.00 0.00 59.98 58.90 3htq h ARG 606 Cb 0.18 0.01 -0.03 0.00 -1.65 0.00 0.00 29.97 28.49 3htq h ARG 606 CO -0.23 -0.04 0.03 1.15 0.56 0.00 0.00 179.97 181.44 3htq h THR 607 N -0.07 0.89 -0.56 2.04 2.02 -0.05 0.12 112.91 117.31 3htq h THR 607 Ca 0.10 -0.04 0.02 0.00 0.77 0.00 0.00 66.41 67.27 3htq h THR 607 Cb 0.22 0.77 -0.04 0.00 -1.74 0.00 0.00 68.15 67.37 3htq h THR 607 CO -0.24 0.02 0.34 -0.07 0.37 0.00 0.00 175.52 175.94 3htq h LEU 608 N 0.11 0.55 -0.48 2.58 3.38 -0.86 -1.50 115.31 119.09 3htq h LEU 608 Ca 0.10 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.10 3htq h LEU 608 Cb 0.10 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.70 3htq h LEU 608 CO -0.14 0.39 0.26 0.44 0.09 0.00 0.00 178.44 179.48 3htq h ASP 609 N 0.67 0.39 -0.53 -0.43 3.32 -0.36 -1.52 116.42 117.96 3htq h ASP 609 Ca 0.22 0.02 0.11 0.00 0.02 0.00 0.00 57.03 57.40 3htq h ASP 609 Cb 0.02 -0.06 -0.10 0.00 0.22 0.00 0.00 39.33 39.41 3htq h ASP 609 CO -0.09 0.28 -0.07 0.15 -1.72 0.00 0.00 179.24 177.79 3htq h PHE 610 N 0.51 -0.16 -0.28 4.55 3.57 0.07 0.21 116.94 125.42 3htq h PHE 610 Ca 0.20 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.74 3htq h PHE 610 Cb 0.08 0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.96 3htq h PHE 610 CO -0.09 -0.18 0.16 0.45 -2.23 0.00 0.00 178.31 176.42 3htq h HIS 611 N 0.05 0.38 0.07 0.41 3.86 -0.63 -0.75 115.15 118.53 3htq h HIS 611 Ca 0.26 -0.00 0.02 0.00 -1.16 0.00 0.00 60.37 59.49 3htq h HIS 611 Cb 0.41 -0.12 -0.04 0.00 1.06 0.00 0.00 27.41 28.72 3htq h HIS 611 CO -0.39 0.30 -0.26 0.22 0.86 0.00 0.00 177.93 178.66 3htq h ASP 612 N 0.35 -0.75 -0.79 2.45 3.58 -0.26 -0.64 116.42 120.35 3htq h ASP 612 Ca 0.10 0.09 0.17 0.00 0.42 0.00 0.00 57.03 57.81 3htq h ASP 612 Cb 0.04 0.30 -0.11 0.00 1.72 0.00 0.00 39.33 41.27 3htq h ASP 612 CO -0.02 -0.34 0.29 -1.28 -2.88 0.00 0.00 179.24 175.01 3htq h SER 613 N -0.44 0.20 -0.51 2.28 0.87 -0.42 0.19 113.55 115.72 3htq h SER 613 Ca 0.04 0.13 -0.05 0.00 -1.23 0.00 0.00 61.79 60.69 3htq h SER 613 Cb 0.49 0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 62.56 3htq h SER 613 CO -0.18 0.03 0.16 0.78 -0.53 0.00 0.00 176.83 177.09 3htq h ASN 614 N 0.38 0.78 -0.21 6.23 2.35 0.27 -0.07 115.58 125.32 3htq h ASN 614 Ca 0.46 -0.13 -0.08 0.00 -0.55 0.00 0.00 56.30 56.00 3htq h ASN 614 Cb 0.77 -0.20 -0.00 0.00 0.05 0.00 0.00 38.32 38.94 3htq h ASN 614 CO -0.48 0.75 -0.18 0.58 -1.65 0.00 0.00 177.43 176.46 3htq h VAL 615 N 0.82 1.32 -0.55 2.81 2.07 0.31 -2.15 116.25 120.88 3htq h VAL 615 Ca 0.18 -1.33 0.02 0.00 0.82 0.00 0.00 66.70 66.40 3htq h VAL 615 Cb 0.26 1.73 -0.03 0.00 -1.52 0.00 0.00 31.29 31.72 3htq h VAL 615 CO -0.01 0.40 0.35 -0.09 0.02 0.00 0.00 177.57 178.25 3htq h ARG 616 N 0.17 0.67 -0.36 1.57 9.65 -0.75 0.84 114.38 126.17 3htq h ARG 616 Ca 0.04 -0.04 -0.05 0.00 -1.10 0.00 0.00 59.98 58.82 3htq h ARG 616 Cb 0.72 -0.15 -0.02 0.00 -1.39 0.00 0.00 29.97 29.13 3htq h ARG 616 CO 0.05 0.45 -0.01 -0.91 2.80 0.00 0.00 179.97 182.35 3htq h ASN 617 N 0.70 0.53 0.12 -3.80 2.35 -0.96 0.11 115.58 114.61 3htq h ASN 617 Ca 0.21 -0.11 -0.01 0.00 -0.55 0.00 0.00 56.30 55.85 3htq h ASN 617 Cb -0.02 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.21 3htq h ASN 617 CO -0.08 0.61 -0.06 0.25 -1.65 0.00 0.00 177.43 176.51 3htq h LEU 618 N 0.54 -0.13 -0.34 1.61 5.85 -0.69 0.28 115.31 122.42 3htq h LEU 618 Ca 0.11 -0.34 0.08 0.00 0.84 0.00 0.00 57.88 58.57 3htq h LEU 618 Cb 0.36 0.03 -0.08 0.00 0.37 0.00 0.00 40.66 41.34 3htq h LEU 618 CO 0.01 0.29 -0.20 0.22 -0.34 0.00 0.00 178.44 178.43 3htq h TYR 619 N -0.58 -0.50 0.00 1.25 3.20 -0.60 0.20 116.97 119.93 3htq h TYR 619 Ca -0.02 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.90 3htq h TYR 619 Cb 0.46 0.27 0.00 0.00 1.54 0.00 0.00 36.73 39.01 3htq h TYR 619 CO 0.06 -0.27 0.00 0.93 -1.64 0.00 0.00 178.16 177.23 3htq h GLU 620 N -0.15 0.00 -0.04 1.82 5.08 -0.72 0.14 114.58 120.71 3htq h GLU 620 Ca 0.17 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.52 3htq h GLU 620 Cb 0.42 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.66 3htq h GLU 620 CO -0.43 0.00 -0.01 -0.22 -1.00 0.00 0.00 179.01 177.34 3htq h LYS 621 N 0.00 0.08 0.08 2.33 3.64 0.27 -2.39 116.57 120.58 3htq h LYS 621 Ca 0.00 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.34 3htq h LYS 621 Cb 0.42 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.24 3htq h LYS 621 CO 0.00 0.45 -0.04 0.28 -2.27 0.00 0.00 179.45 177.88 3htq h VAL 622 N -0.30 1.11 -1.23 2.00 2.07 -0.91 -2.86 116.25 116.14 3htq h VAL 622 Ca 0.01 -0.72 0.36 0.00 0.82 0.00 0.00 66.70 67.17 3htq h VAL 622 Cb 0.43 1.58 -0.10 0.00 -1.52 0.00 0.00 31.29 31.68 3htq h VAL 622 CO 0.00 0.18 0.82 0.50 0.02 0.00 0.00 177.57 179.09 3htq h LYS 623 N -0.44 0.18 0.36 1.57 3.11 -0.77 0.99 116.57 121.57 3htq h LYS 623 Ca -0.01 -0.01 -0.02 0.00 -2.81 0.00 0.00 60.65 57.80 3htq h LYS 623 Cb 0.37 -0.04 0.00 0.00 -1.00 0.00 0.00 32.23 31.57 3htq h LYS 623 CO 0.02 0.12 -0.18 1.03 -2.81 0.00 0.00 179.45 177.63 3htq h SER 624 N 0.18 -0.42 -0.38 4.20 0.87 -1.21 -2.78 113.55 114.02 3htq h SER 624 Ca 0.69 -0.14 0.08 0.00 -1.23 0.00 0.00 61.79 61.19 3htq h SER 624 Cb 2.17 0.11 -0.08 0.00 -0.44 0.00 0.00 62.40 64.16 3htq h SER 624 CO -0.27 0.02 -0.13 1.56 -0.53 0.00 0.00 176.83 177.48 3htq h GLN 625 N -0.96 -0.05 -0.34 2.24 4.20 -0.65 -3.05 115.11 116.50 3htq h GLN 625 Ca -0.05 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.61 3htq h GLN 625 Cb 0.53 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.31 3htq h GLN 625 CO 0.08 -0.03 -0.01 -0.07 -0.67 0.00 0.00 178.83 178.13 3htq h LEU 626 N -0.05 0.60 0.00 1.46 3.38 -1.43 -3.42 115.31 115.86 3htq h LEU 626 Ca 0.19 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.84 3htq h LEU 626 Cb 0.34 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.92 3htq h LEU 626 CO -0.42 0.77 0.00 0.54 0.09 0.00 0.00 178.44 179.42 3htq n ARG 627 N -4.50 0.00 -0.04 1.13 1.74 -1.05 -1.05 116.66 112.88 3htq n ARG 627 Ca -0.02 0.00 0.06 0.00 -0.77 0.00 0.00 57.85 57.12 3htq n ARG 627 Cb 0.28 0.00 0.29 0.00 -1.02 0.00 0.00 32.46 32.01 3htq n ARG 627 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3htq n ASN 628 N 6.80 0.64 -1.63 0.55 5.03 -1.26 -3.87 115.26 121.52 3htq n ASN 628 Ca 0.00 -1.74 -0.07 0.00 0.87 0.00 0.00 54.58 53.64 3htq n ASN 628 Cb 0.00 -0.06 0.18 0.00 -1.02 0.00 0.00 39.78 38.88 3htq n ASN 628 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 3htq n ASN 629 N -0.27 3.73 0.00 6.41 4.13 -0.22 -4.85 115.26 124.20 3htq n ASN 629 Ca 0.10 -2.86 0.00 0.00 1.68 0.00 0.00 54.58 53.51 3htq n ASN 629 Cb 0.14 -0.68 0.00 0.00 -1.54 0.00 0.00 39.78 37.70 3htq n ASN 629 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3htq n ALA 630 N -0.16 0.00 -2.67 5.41 0.00 -1.25 -2.27 120.51 119.57 3htq n ALA 630 Ca 0.30 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.37 3htq n ALA 630 Cb 1.09 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 20.48 3htq n ALA 630 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 3htq s LYS 631 N -1.46 3.97 -0.06 0.00 2.20 -0.48 -4.83 119.74 119.09 3htq s LYS 631 Ca 0.00 0.19 -0.28 0.00 -0.36 0.00 0.00 55.97 55.52 3htq s LYS 631 Cb 0.00 -3.30 -0.02 0.00 -1.51 0.00 0.00 37.83 32.99 3htq s LYS 631 CO 0.00 0.51 0.92 -1.21 -0.36 0.00 0.00 175.35 175.21 3htq s GLU 632 N -0.39 4.47 -0.89 4.03 2.02 -1.26 -1.74 118.70 124.94 3htq s GLU 632 Ca 0.19 1.27 0.00 0.00 0.02 0.00 0.00 54.97 56.46 3htq s GLU 632 Cb -0.14 -3.49 0.29 0.00 0.10 0.00 0.00 34.13 30.88 3htq s GLU 632 CO 0.08 -0.14 1.20 -0.89 0.02 0.00 0.00 175.26 175.53 3htq n ILE 633 N 4.16 4.17 0.00 -1.63 5.41 -0.69 -4.96 119.36 125.81 3htq n ILE 633 Ca 0.05 -5.66 0.00 0.00 1.00 0.00 0.00 62.75 58.14 3htq n ILE 633 Cb 0.50 -2.04 0.00 0.00 -0.71 0.00 0.00 39.64 37.39 3htq n ILE 633 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3htq n GLY 634 N 1.03 0.00 0.41 7.39 0.00 -1.26 -4.14 105.19 108.62 3htq n GLY 634 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.30 3htq n GLY 634 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3htq n ASN 635 N 0.00 0.00 0.00 1.61 2.04 -1.24 -4.86 115.26 112.81 3htq n ASN 635 Ca 0.00 -1.27 0.00 0.00 -0.44 0.00 0.00 54.58 52.87 3htq n ASN 635 Cb 0.00 -0.05 0.00 0.00 -2.53 0.00 0.00 39.78 37.20 3htq n ASN 635 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 3htq n GLY 636 N 0.00 0.70 3.52 4.83 0.00 -1.25 -4.64 105.19 108.35 3htq n GLY 636 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 3htq n GLY 636 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3htq s PHE 638 N -1.06 1.84 -0.32 0.00 0.40 -1.26 -1.71 117.98 115.87 3htq s PHE 638 Ca 0.18 -0.55 -0.03 0.00 -0.60 0.00 0.00 56.93 55.92 3htq s PHE 638 Cb -0.11 -1.24 0.05 0.00 0.51 0.00 0.00 43.02 42.24 3htq s PHE 638 CO 0.09 -0.19 0.04 -2.00 0.70 0.00 0.00 175.22 173.86 3htq s GLU 639 N 0.06 2.43 0.56 0.44 2.12 -0.71 -4.93 118.70 118.67 3htq s GLU 639 Ca -0.05 -1.30 -0.21 0.00 0.36 0.00 0.00 54.97 53.77 3htq s GLU 639 Cb -0.12 -3.27 -0.05 0.00 0.26 0.00 0.00 34.13 30.95 3htq s GLU 639 CO 0.03 -0.67 1.28 1.19 -0.54 0.00 0.00 175.26 176.56 3htq n PHE 640 N 4.66 2.02 0.87 5.30 3.01 -1.26 -1.38 117.46 130.67 3htq n PHE 640 Ca -0.12 0.44 0.13 0.00 1.01 0.00 0.00 57.45 58.91 3htq n PHE 640 Cb 0.43 -2.32 0.43 0.00 -0.01 0.00 0.00 39.48 38.02 3htq n PHE 640 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 3htq n TYR 641 N -1.17 0.27 -4.70 1.38 0.53 -0.96 -4.86 117.16 107.64 3htq n TYR 641 Ca 0.11 0.08 -0.31 0.00 -1.02 0.00 0.00 57.90 56.76 3htq n TYR 641 Cb 0.45 -0.55 -0.09 0.00 -1.03 0.00 0.00 39.34 38.12 3htq n TYR 641 CO 0.00 0.00 0.00 -3.38 -1.02 0.00 0.00 176.86 172.46 3htq s HIS 642 N -3.04 2.06 0.09 -0.72 -3.43 -1.26 -5.07 115.29 103.92 3htq s HIS 642 Ca 0.12 -0.88 -0.30 0.00 -0.80 0.00 0.00 55.06 53.19 3htq s HIS 642 Cb 0.17 -1.63 -0.05 0.00 -1.43 0.00 0.00 32.58 29.63 3htq s HIS 642 CO 0.61 0.27 0.96 0.15 -2.00 0.00 0.00 174.74 174.72 3htq s LYS 643 N -3.82 4.67 -0.31 -0.38 -0.14 -1.26 -5.02 119.74 113.49 3htq s LYS 643 Ca 0.16 1.44 -0.00 0.00 -1.36 0.00 0.00 55.97 56.21 3htq s LYS 643 Cb 0.04 -3.39 0.10 0.00 -1.68 0.00 0.00 37.83 32.90 3htq s LYS 643 CO 0.08 0.17 0.08 0.00 -0.76 0.00 0.00 175.35 174.93 3htq n ASP 645 N 4.75 -0.15 -0.12 0.00 3.85 -1.26 -4.58 116.55 119.05 3htq n ASP 645 Ca -0.02 -1.06 -0.00 0.00 -0.71 0.00 0.00 54.79 53.00 3htq n ASP 645 Cb 0.42 -0.26 0.26 0.00 -1.35 0.00 0.00 41.12 40.19 3htq n ASP 645 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.20 176.63 3htq h ASP 646 N -0.57 0.71 -0.37 -1.12 3.32 -1.99 0.29 116.42 116.69 3htq h ASP 646 Ca -0.11 -0.08 -0.03 0.00 0.02 0.00 0.00 57.03 56.83 3htq h ASP 646 Cb 0.30 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 3htq h ASP 646 CO 0.08 0.63 0.09 -0.33 -1.72 0.00 0.00 179.24 177.99 3htq h GLU 647 N 0.78 0.59 0.49 3.56 4.39 -1.98 0.72 114.58 123.13 3htq h GLU 647 Ca 0.19 -0.14 -0.02 0.00 0.34 0.00 0.00 59.36 59.73 3htq h GLU 647 Cb 0.13 -0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 28.70 3htq h GLU 647 CO -0.02 0.62 -0.27 0.00 -1.16 0.00 0.00 179.01 178.18 3htq h MET 649 N -0.72 0.04 0.17 0.00 2.86 -0.31 -0.09 114.93 116.88 3htq h MET 649 Ca -0.06 -0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.57 3htq h MET 649 Cb 0.57 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.22 3htq h MET 649 CO 0.08 0.03 -0.08 1.49 1.06 0.00 0.00 176.91 179.49 3htq h GLU 650 N 0.04 -0.21 -0.80 1.72 4.57 0.21 -2.83 114.58 117.28 3htq h GLU 650 Ca 0.28 0.01 0.19 0.00 -1.18 0.00 0.00 59.36 58.67 3htq h GLU 650 Cb 1.05 0.05 -0.13 0.00 -0.16 0.00 0.00 28.75 29.56 3htq h GLU 650 CO -0.01 0.18 0.16 0.66 -1.18 0.00 0.00 179.01 178.82 3htq h SER 651 N -0.70 -0.08 -0.67 1.04 4.64 0.11 0.41 113.55 118.31 3htq h SER 651 Ca -0.02 0.18 -0.07 0.00 -0.47 0.00 0.00 61.79 61.41 3htq h SER 651 Cb 0.50 0.26 -0.03 0.00 -0.31 0.00 0.00 62.40 62.82 3htq h SER 651 CO 0.04 -0.12 0.15 1.62 -0.87 0.00 0.00 176.83 177.65 3htq h VAL 652 N 0.21 1.26 0.62 0.95 3.04 -1.43 0.88 116.25 121.78 3htq h VAL 652 Ca 0.47 -0.97 -0.03 0.00 -1.01 0.00 0.00 66.70 65.16 3htq h VAL 652 Cb 0.87 0.57 0.01 0.00 -2.01 0.00 0.00 31.29 30.73 3htq h VAL 652 CO -0.61 0.37 -0.30 0.11 -1.01 0.00 0.00 177.57 176.13 3htq h LYS 653 N 1.03 -0.80 -1.13 4.17 1.57 -0.03 -2.56 116.57 118.83 3htq h LYS 653 Ca 0.21 0.05 0.00 0.00 -1.87 0.00 0.00 60.65 59.05 3htq h LYS 653 Cb 0.38 0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.87 3htq h LYS 653 CO 0.00 -0.53 0.00 0.27 -0.57 0.00 0.00 179.45 178.62 3htq n ASN 654 N -4.61 1.48 -4.05 0.86 0.23 0.03 -4.81 115.26 104.38 3htq n ASN 654 Ca -0.10 -1.26 -0.29 0.00 -0.53 0.00 0.00 54.58 52.40 3htq n ASN 654 Cb 0.33 -0.32 -0.02 0.00 -2.08 0.00 0.00 39.78 37.69 3htq n ASN 654 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3htq n GLY 655 N 0.52 -0.29 1.09 4.83 0.00 -0.88 -4.90 105.19 105.56 3htq n GLY 655 Ca 0.00 0.15 0.04 0.00 0.00 0.00 0.00 46.02 46.21 3htq n GLY 655 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3htq n THR 656 N -4.42 0.64 -1.75 2.61 -2.24 0.30 -5.00 114.28 104.42 3htq n THR 656 Ca -0.19 -1.50 -0.42 0.00 -2.27 0.00 0.00 64.05 59.68 3htq n THR 656 Cb 0.62 0.58 -0.01 0.00 -2.10 0.00 0.00 70.33 69.42 3htq n THR 656 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3htq n TYR 657 N -0.05 2.81 -1.47 4.78 9.36 -1.07 -4.81 117.16 126.72 3htq n TYR 657 Ca 0.09 0.37 -0.30 0.00 3.32 0.00 0.00 57.90 61.38 3htq n TYR 657 Cb 0.96 -2.55 0.20 0.00 -0.63 0.00 0.00 39.34 37.32 3htq n TYR 657 CO 0.00 0.00 0.00 -0.51 0.22 0.00 0.00 176.86 176.57 3htq s ASP 658 N 0.17 2.25 -0.18 2.98 1.01 -1.26 -4.88 116.67 116.77 3htq s ASP 658 Ca 0.59 0.59 -0.12 0.00 0.71 0.00 0.00 52.55 54.33 3htq s ASP 658 Cb -0.50 -0.85 -0.06 0.00 1.01 0.00 0.00 42.92 42.52 3htq s ASP 658 CO 0.56 -3.29 0.66 0.00 0.21 0.00 0.00 175.17 173.30 3htq n TYR 659 N -4.20 0.28 0.69 4.23 0.18 -1.26 -4.97 117.16 112.12 3htq n TYR 659 Ca 0.12 0.19 0.08 0.00 1.88 0.00 0.00 57.90 60.17 3htq n TYR 659 Cb 0.59 -0.66 0.07 0.00 -0.38 0.00 0.00 39.34 38.96 3htq n TYR 659 CO 0.00 0.00 0.00 -0.35 -2.08 0.00 0.00 176.86 174.43