#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1o7m n ILE 503 N 0.00 0.00 -3.94 2.02 5.41 -1.26 -4.98 119.36 116.60 1o7m n ILE 503 Ca 0.00 0.00 -0.34 0.00 1.00 0.00 0.00 62.75 63.41 1o7m n ILE 503 Cb 0.00 -0.35 -0.14 0.00 -0.71 0.00 0.00 39.64 38.44 1o7m n ILE 503 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 176.55 176.76 1o7m s ASN 504 N 2.08 4.81 0.01 4.38 3.84 -1.26 -4.99 114.94 123.80 1o7m s ASN 504 Ca 0.84 -1.41 0.18 0.00 0.21 0.00 0.00 52.86 52.68 1o7m s ASN 504 Cb -1.20 -1.68 0.75 0.00 -0.55 0.00 0.00 41.25 38.58 1o7m s ASN 504 CO 0.64 -0.27 1.57 2.30 -2.79 0.00 0.00 177.10 178.54 1o7m n ILE 505 N 4.55 0.80 0.05 -5.21 -5.35 -1.26 -0.47 119.36 112.47 1o7m n ILE 505 Ca -0.12 0.20 -0.09 0.00 -0.27 0.00 0.00 62.75 62.47 1o7m n ILE 505 Cb 0.43 -0.90 0.05 0.00 -1.74 0.00 0.00 39.64 37.47 1o7m n ILE 505 CO 0.00 0.00 0.00 -0.61 -1.76 0.00 0.00 176.55 174.18 1o7m h GLN 506 N 0.00 0.41 0.06 6.28 5.75 -1.94 -3.32 115.11 122.34 1o7m h GLN 506 Ca 0.00 -0.31 -0.25 0.00 -0.15 0.00 0.00 58.65 57.94 1o7m h GLN 506 Cb 0.31 0.06 -0.02 0.00 1.07 0.00 0.00 27.48 28.89 1o7m h GLN 506 CO 0.00 0.94 -1.34 0.93 -2.65 0.00 0.00 178.83 176.70 1o7m h GLU 507 N 0.29 0.13 -5.20 1.69 5.08 -1.76 -3.40 114.58 111.40 1o7m h GLU 507 Ca -0.02 -0.22 -0.71 0.00 -1.00 0.00 0.00 59.36 57.41 1o7m h GLU 507 Cb 1.23 0.08 -0.14 0.00 0.50 0.00 0.00 28.75 30.43 1o7m h GLU 507 CO 0.12 1.10 1.69 -0.51 -1.00 0.00 0.00 179.01 180.41 1o7m s ASP 508 N -6.90 6.98 0.61 1.42 -0.00 0.38 -4.84 116.67 114.32 1o7m s ASP 508 Ca -0.24 -2.77 0.32 0.00 -0.00 0.00 0.00 52.55 49.86 1o7m s ASP 508 Cb 0.05 -2.47 1.83 0.00 -0.00 0.00 0.00 42.92 42.32 1o7m s ASP 508 CO 0.69 -0.92 2.18 0.11 -0.00 0.00 0.00 175.17 177.22 1o7m h LYS 509 N 7.35 0.00 -0.02 8.23 1.79 -1.80 -2.21 116.57 129.91 1o7m h LYS 509 Ca 0.37 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.84 1o7m h LYS 509 Cb 0.87 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.52 1o7m h LYS 509 CO 1.33 0.00 -0.11 1.28 -1.08 0.00 0.00 179.45 180.87 1o7m n LEU 510 N -3.64 1.91 -4.73 2.94 4.77 -1.26 -4.91 117.00 112.08 1o7m n LEU 510 Ca -0.01 -0.63 -0.37 0.00 -0.03 0.00 0.00 56.01 54.97 1o7m n LEU 510 Cb 0.22 -0.02 -0.06 0.00 -2.33 0.00 0.00 43.42 41.22 1o7m n LEU 510 CO 0.25 0.33 0.07 -0.69 -1.33 0.00 0.00 177.39 176.02 1o7m s VAL 511 N -2.15 5.24 0.48 4.08 1.01 -0.83 -5.07 120.40 123.16 1o7m s VAL 511 Ca 0.30 0.74 -0.16 0.00 0.00 0.00 0.00 61.98 62.87 1o7m s VAL 511 Cb 0.20 -3.72 -0.08 0.00 0.00 0.00 0.00 36.38 32.78 1o7m s VAL 511 CO 0.39 0.37 0.93 -0.94 0.00 0.00 0.00 175.10 175.85 1o7m s SER 512 N 0.47 6.64 0.28 3.32 1.04 -1.26 -4.91 113.70 119.28 1o7m s SER 512 Ca 0.21 1.48 -0.03 0.00 0.48 0.00 0.00 55.95 58.10 1o7m s SER 512 Cb -0.14 -2.47 0.40 0.00 0.10 0.00 0.00 66.02 63.91 1o7m s SER 512 CO 0.07 -0.52 1.93 0.00 0.98 0.00 0.00 173.24 175.71 1o7m h ALA 513 N 1.12 1.39 -0.25 5.32 0.00 -1.99 -1.45 119.26 123.40 1o7m h ALA 513 Ca -0.47 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.38 1o7m h ALA 513 Cb 1.18 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 1o7m h ALA 513 CO 0.62 0.53 0.13 1.25 0.00 0.00 0.00 179.25 181.78 1o7m h HIS 514 N 1.19 0.35 -0.81 0.00 -0.00 -2.00 -1.66 115.15 112.22 1o7m h HIS 514 Ca 0.36 -0.01 -0.01 0.00 -0.00 0.00 0.00 60.37 60.72 1o7m h HIS 514 Cb -0.02 -0.11 -0.04 0.00 -0.00 0.00 0.00 27.41 27.24 1o7m h HIS 514 CO -0.00 0.31 0.48 -0.44 -0.00 0.00 0.00 177.93 178.28 1o7m h ASP 515 N 0.29 0.98 -0.50 3.26 3.45 -1.80 -2.57 116.42 119.53 1o7m h ASP 515 Ca 0.09 -0.07 -0.05 0.00 0.43 0.00 0.00 57.03 57.43 1o7m h ASP 515 Cb 0.08 -0.25 -0.03 0.00 -0.56 0.00 0.00 39.33 38.57 1o7m h ASP 515 CO -0.01 0.76 0.16 0.00 -1.57 0.00 0.00 179.24 178.58 1o7m h ALA 516 N 1.26 1.24 -0.62 3.45 0.00 -1.06 -1.89 119.26 121.64 1o7m h ALA 516 Ca 0.29 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 1o7m h ALA 516 Cb -0.03 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 1o7m h ALA 516 CO -0.05 0.53 0.23 0.93 0.00 0.00 0.00 179.25 180.89 1o7m h GLU 517 N 0.81 0.91 -0.13 0.00 5.08 -0.93 -2.76 114.58 117.57 1o7m h GLU 517 Ca 0.18 -0.16 -0.18 0.00 -1.00 0.00 0.00 59.36 58.20 1o7m h GLU 517 Cb 0.26 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.35 1o7m h GLU 517 CO -0.01 0.76 -0.68 0.93 -1.00 0.00 0.00 179.01 179.01 1o7m h GLU 518 N 0.89 0.52 -0.11 2.33 4.39 -1.04 -2.97 114.58 118.59 1o7m h GLU 518 Ca 0.21 -0.40 0.05 0.00 0.34 0.00 0.00 59.36 59.56 1o7m h GLU 518 Cb 0.21 0.07 -0.06 0.00 -0.10 0.00 0.00 28.75 28.87 1o7m h GLU 518 CO -0.02 1.02 -0.29 0.82 -1.16 0.00 0.00 179.01 179.39 1o7m h ILE 519 N 0.37 0.34 -1.00 3.13 1.08 -1.21 -2.68 117.51 117.54 1o7m h ILE 519 Ca -0.02 0.00 0.17 0.00 -0.39 0.00 0.00 64.86 64.62 1o7m h ILE 519 Cb 1.26 0.34 -0.10 0.00 -3.07 0.00 0.00 36.82 35.25 1o7m h ILE 519 CO 0.12 0.00 0.61 0.25 -0.69 0.00 0.00 178.15 178.45 1o7m h LEU 520 N -0.37 0.83 -1.46 1.44 5.85 -1.41 -1.53 115.31 118.65 1o7m h LEU 520 Ca 0.09 0.08 -0.06 0.00 0.84 0.00 0.00 57.88 58.84 1o7m h LEU 520 Cb 0.51 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 1o7m h LEU 520 CO -0.32 0.34 -0.27 0.08 -0.34 0.00 0.00 178.44 177.93 1o7m h ARG 521 N 0.83 0.00 0.00 1.25 0.11 -1.32 -3.18 114.38 112.07 1o7m h ARG 521 Ca 0.55 0.00 -0.27 0.00 0.10 0.00 0.00 59.98 60.37 1o7m h ARG 521 Cb 0.78 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 31.81 1o7m h ARG 521 CO -0.35 0.27 -2.13 1.19 0.10 0.00 0.00 179.97 179.05 1o7m n PHE 522 N -3.97 0.21 0.20 4.08 3.72 -0.65 -4.24 117.46 116.81 1o7m n PHE 522 Ca -0.02 0.07 0.06 0.00 -0.05 0.00 0.00 57.45 57.51 1o7m n PHE 522 Cb 0.34 -0.93 0.40 0.00 -0.94 0.00 0.00 39.48 38.35 1o7m n PHE 522 CO 0.00 0.00 0.00 0.74 -0.05 0.00 0.00 176.76 177.45 1o7m h PHE 523 N 0.00 0.00 -3.03 1.38 -1.00 -1.37 -3.44 116.94 109.48 1o7m h PHE 523 Ca -0.37 0.00 -0.60 0.00 2.81 0.00 0.00 57.97 59.81 1o7m h PHE 523 Cb 1.91 0.00 -0.04 0.00 3.61 0.00 0.00 35.95 41.42 1o7m h PHE 523 CO 0.00 0.34 -0.39 -0.80 -1.61 0.00 0.00 178.31 175.85 1o7m s ASN 524 N -6.51 6.45 -0.06 2.17 -0.87 -1.20 -4.81 114.94 110.11 1o7m s ASN 524 Ca -0.01 0.48 -0.00 0.00 -1.57 0.00 0.00 52.86 51.76 1o7m s ASN 524 Cb 0.12 -2.05 0.00 0.00 -0.02 0.00 0.00 41.25 39.30 1o7m s ASN 524 CO 0.68 0.13 0.01 0.00 -2.57 0.00 0.00 177.10 175.35 1o7m s HIS 526 N -0.99 3.37 -0.32 0.00 2.46 -1.26 -4.91 115.29 113.63 1o7m s HIS 526 Ca -0.01 0.29 0.02 0.00 0.47 0.00 0.00 55.06 55.83 1o7m s HIS 526 Cb 0.00 -1.97 0.10 0.00 -0.13 0.00 0.00 32.58 30.58 1o7m s HIS 526 CO 0.16 0.45 0.06 0.34 -2.47 0.00 0.00 174.74 173.28 1o7m s ASP 527 N -0.43 4.41 0.36 9.88 -1.08 -1.26 -5.01 116.67 123.53 1o7m s ASP 527 Ca 0.10 -1.87 0.07 0.00 -0.52 0.00 0.00 52.55 50.33 1o7m s ASP 527 Cb -0.12 -1.29 0.77 0.00 -1.46 0.00 0.00 42.92 40.82 1o7m s ASP 527 CO 0.02 -0.38 1.91 0.28 0.52 0.00 0.00 175.17 177.52 1o7m h SER 528 N 7.83 0.67 -0.48 -0.34 0.02 -1.97 -1.74 113.55 117.53 1o7m h SER 528 Ca -0.09 0.02 -0.08 0.00 -0.84 0.00 0.00 61.79 60.80 1o7m h SER 528 Cb 1.02 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 63.42 1o7m h SER 528 CO 0.49 0.39 -0.01 0.00 -1.14 0.00 0.00 176.83 176.56 1o7m h ALA 529 N 1.59 0.99 -0.42 3.77 0.00 -1.99 -2.17 119.26 121.03 1o7m h ALA 529 Ca 0.38 -0.29 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 1o7m h ALA 529 Cb 0.49 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1o7m h ALA 529 CO -0.15 0.62 -0.09 1.25 0.00 0.00 0.00 179.25 180.87 1o7m h LEU 530 N 0.84 0.72 -0.69 0.00 5.85 -1.74 -0.50 115.31 119.79 1o7m h LEU 530 Ca 0.16 -0.20 -0.06 0.00 0.84 0.00 0.00 57.88 58.62 1o7m h LEU 530 Cb 0.50 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.31 1o7m h LEU 530 CO 0.02 0.85 0.21 -0.61 -0.34 0.00 0.00 178.44 178.57 1o7m h GLN 531 N 0.68 1.07 -0.41 1.25 -0.00 -0.99 0.02 115.11 116.72 1o7m h GLN 531 Ca 0.12 -0.24 -0.07 0.00 -0.00 0.00 0.00 58.65 58.46 1o7m h GLN 531 Cb 0.55 -0.15 -0.01 0.00 0.00 0.00 0.00 27.48 27.86 1o7m h GLN 531 CO 0.03 0.93 -0.02 1.96 0.00 0.00 0.00 178.83 181.73 1o7m h GLN 532 N 1.01 0.74 -0.80 1.69 7.50 -1.04 -0.92 115.11 123.29 1o7m h GLN 532 Ca 0.22 -0.25 0.02 0.00 0.50 0.00 0.00 58.65 59.15 1o7m h GLN 532 Cb 0.31 -0.06 -0.04 0.00 0.05 0.00 0.00 27.48 27.73 1o7m h GLN 532 CO -0.01 0.83 0.52 1.49 -1.50 0.00 0.00 178.83 180.17 1o7m h GLU 533 N 0.57 1.01 -0.32 1.46 4.81 -0.85 -1.23 114.58 120.03 1o7m h GLU 533 Ca 0.11 -0.06 -0.11 0.00 -0.13 0.00 0.00 59.36 59.17 1o7m h GLU 533 Cb 0.51 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 1o7m h GLU 533 CO 0.03 0.67 -0.26 0.00 -0.73 0.00 0.00 179.01 178.72 1o7m h ALA 534 N 1.32 0.95 -0.48 2.92 0.00 -0.72 -0.79 119.26 122.46 1o7m h ALA 534 Ca 0.31 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1o7m h ALA 534 Cb -0.05 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1o7m h ALA 534 CO -0.09 0.61 0.21 1.15 0.00 0.00 0.00 179.25 181.12 1o7m h THR 535 N 0.56 1.20 -0.24 0.00 2.02 -0.57 -1.05 112.91 114.83 1o7m h THR 535 Ca 0.07 -0.61 -0.00 0.00 0.77 0.00 0.00 66.41 66.64 1o7m h THR 535 Cb 0.74 0.71 -0.01 0.00 -1.74 0.00 0.00 68.15 67.85 1o7m h THR 535 CO 0.06 0.23 0.14 0.74 0.37 0.00 0.00 175.52 177.06 1o7m h THR 536 N 0.64 1.09 -0.35 3.16 2.02 -0.81 0.28 112.91 118.93 1o7m h THR 536 Ca 0.16 -0.22 0.05 0.00 0.77 0.00 0.00 66.41 67.17 1o7m h THR 536 Cb 0.17 0.81 -0.05 0.00 -1.74 0.00 0.00 68.15 67.34 1o7m h THR 536 CO -0.02 0.09 0.05 -0.07 0.37 0.00 0.00 175.52 175.95 1o7m h LEU 537 N 0.29 -0.02 -0.43 2.58 3.38 -0.89 -0.61 115.31 119.61 1o7m h LEU 537 Ca 0.08 0.06 -0.18 0.00 0.09 0.00 0.00 57.88 57.94 1o7m h LEU 537 Cb 0.02 0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1o7m h LEU 537 CO -0.02 0.03 -0.74 -0.07 0.09 0.00 0.00 178.44 177.73 1o7m h LEU 538 N 0.17 0.36 -0.62 1.67 3.38 -1.02 -1.19 115.31 118.06 1o7m h LEU 538 Ca 0.16 -0.24 -0.12 0.00 0.09 0.00 0.00 57.88 57.77 1o7m h LEU 538 Cb 0.20 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1o7m h LEU 538 CO -0.23 0.98 -0.22 0.74 0.09 0.00 0.00 178.44 179.80 1o7m h THR 539 N 0.20 1.27 -0.35 0.22 2.02 -0.64 -1.13 112.91 114.50 1o7m h THR 539 Ca -0.03 -1.35 -0.17 0.00 0.77 0.00 0.00 66.41 65.63 1o7m h THR 539 Cb 1.31 1.18 -0.00 0.00 -1.74 0.00 0.00 68.15 68.90 1o7m h THR 539 CO 0.12 0.46 -0.43 1.56 0.37 0.00 0.00 175.52 177.60 1o7m h GLN 540 N 0.74 0.92 -0.33 6.66 4.20 -1.03 -1.46 115.11 124.82 1o7m h GLN 540 Ca 0.10 -0.51 0.04 0.00 0.06 0.00 0.00 58.65 58.34 1o7m h GLN 540 Cb 0.76 0.03 -0.04 0.00 0.30 0.00 0.00 27.48 28.53 1o7m h GLN 540 CO 0.06 1.16 0.09 1.49 -0.67 0.00 0.00 178.83 180.97 1o7m h GLU 541 N 0.73 0.22 -0.23 1.46 4.81 -1.10 -1.77 114.58 118.69 1o7m h GLU 541 Ca 0.05 -0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.21 1o7m h GLU 541 Cb 1.03 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.35 1o7m h GLU 541 CO 0.10 0.14 -0.09 0.00 -0.73 0.00 0.00 179.01 178.43 1o7m h ALA 542 N 1.22 1.41 -0.20 2.92 0.00 -0.98 -1.86 119.26 121.78 1o7m h ALA 542 Ca 0.15 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 1o7m h ALA 542 Cb 0.14 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1o7m h ALA 542 CO -0.17 0.41 -0.05 1.25 0.00 0.00 0.00 179.25 180.69 1o7m h HIS 543 N 0.35 0.43 -0.58 0.00 -0.00 -0.93 0.10 115.15 114.52 1o7m h HIS 543 Ca 0.07 -0.09 0.00 0.00 -0.00 0.00 0.00 60.37 60.35 1o7m h HIS 543 Cb 0.39 -0.11 -0.03 0.00 -0.00 0.00 0.00 27.41 27.66 1o7m h HIS 543 CO 0.01 0.64 0.38 -0.07 -0.00 0.00 0.00 177.93 178.89 1o7m h LEU 544 N 0.11 0.68 -0.45 0.26 3.38 -0.95 -2.06 115.31 116.26 1o7m h LEU 544 Ca 0.05 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 1o7m h LEU 544 Cb 0.50 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 1o7m h LEU 544 CO 0.02 0.50 0.14 -0.07 0.09 0.00 0.00 178.44 179.12 1o7m h LEU 545 N 0.79 0.67 -1.53 1.67 3.38 -1.20 -0.59 115.31 118.50 1o7m h LEU 545 Ca 0.21 -0.21 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1o7m h LEU 545 Cb -0.08 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 1o7m h LEU 545 CO -0.04 0.70 0.10 0.44 0.09 0.00 0.00 178.44 179.73 1o7m h ASP 546 N 0.60 0.37 -0.36 -0.43 3.32 -0.28 0.49 116.42 120.12 1o7m h ASP 546 Ca 0.15 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.16 1o7m h ASP 546 Cb 0.28 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.73 1o7m h ASP 546 CO -0.00 0.36 0.00 2.30 -1.72 0.00 0.00 179.24 180.17 1o7m n ILE 547 N -4.40 0.48 -3.09 0.35 -5.35 -0.82 -4.29 119.36 102.23 1o7m n ILE 547 Ca 0.01 -0.55 -0.20 0.00 -0.27 0.00 0.00 62.75 61.74 1o7m n ILE 547 Cb 0.14 0.40 0.04 0.00 -1.74 0.00 0.00 39.64 38.49 1o7m n ILE 547 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1o7m n GLN 548 N 0.75 -5.16 -2.16 6.28 6.02 0.16 -4.91 117.38 118.36 1o7m n GLN 548 Ca 0.16 0.80 -0.41 0.00 -0.01 0.00 0.00 57.00 57.54 1o7m n GLN 548 Cb 0.39 -5.50 -0.00 0.00 1.02 0.00 0.00 30.24 26.15 1o7m n GLN 548 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1o7m n ALA 549 N -3.75 6.24 -0.06 -1.58 0.00 -0.25 -4.78 120.51 116.33 1o7m n ALA 549 Ca -0.07 -4.21 -0.01 0.00 0.00 0.00 0.00 53.44 49.16 1o7m n ALA 549 Cb 0.59 -2.81 0.27 0.00 0.00 0.00 0.00 19.45 17.51 1o7m n ALA 549 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 1o7m h TYR 550 N 5.01 0.68 -0.36 0.00 0.99 -1.91 0.21 116.97 121.59 1o7m h TYR 550 Ca 0.58 -0.05 -0.12 0.00 2.00 0.00 0.00 58.73 61.13 1o7m h TYR 550 Cb 0.42 -0.20 -0.01 0.00 1.00 0.00 0.00 36.73 37.94 1o7m h TYR 550 CO 1.46 0.58 -0.26 0.00 -0.00 0.00 0.00 178.16 179.93 1o7m h ARG 551 N 0.65 0.81 -0.86 4.88 3.08 -1.95 -1.69 114.38 119.30 1o7m h ARG 551 Ca 0.15 -0.39 -0.01 0.00 0.07 0.00 0.00 59.98 59.79 1o7m h ARG 551 Cb 0.24 -0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.24 1o7m h ARG 551 CO -0.00 1.02 0.49 0.00 -1.07 0.00 0.00 179.97 180.41 1o7m h ALA 552 N 0.77 1.25 -0.17 0.04 0.00 -1.84 -0.40 119.26 118.90 1o7m h ALA 552 Ca 0.07 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.87 1o7m h ALA 552 Cb 0.83 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1o7m h ALA 552 CO 0.07 0.62 0.09 2.35 0.00 0.00 0.00 179.25 182.38 1o7m h TRP 553 N 1.19 0.17 -0.68 0.00 7.01 -0.67 0.13 115.95 123.09 1o7m h TRP 553 Ca 0.30 0.01 -0.02 0.00 2.11 0.00 0.00 58.89 61.29 1o7m h TRP 553 Cb -0.00 -0.05 -0.03 0.00 -2.10 0.00 0.00 29.16 26.97 1o7m h TRP 553 CO 0.01 0.10 0.36 1.25 -2.79 0.00 0.00 178.44 177.37 1o7m h LEU 554 N 0.19 0.85 -0.36 0.65 5.85 -0.85 0.15 115.31 121.79 1o7m h LEU 554 Ca 0.07 -0.10 -0.19 0.00 0.84 0.00 0.00 57.88 58.49 1o7m h LEU 554 Cb 0.00 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 40.81 1o7m h LEU 554 CO -0.04 0.71 -0.70 -0.33 -0.34 0.00 0.00 178.44 177.74 1o7m h GLU 555 N 0.93 0.55 0.00 1.25 5.08 -0.82 -3.08 114.58 118.48 1o7m h GLU 555 Ca 0.24 -0.43 -0.07 0.00 -1.00 0.00 0.00 59.36 58.10 1o7m h GLU 555 Cb 0.05 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 1o7m h GLU 555 CO -0.04 1.05 -2.03 1.58 -1.00 0.00 0.00 179.01 178.57 1o7m n HIS 556 N -3.89 0.00 0.00 4.33 -0.00 0.41 -4.71 115.22 111.37 1o7m n HIS 556 Ca -0.05 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.13 1o7m n HIS 556 Cb 0.70 -0.58 0.00 0.00 -0.12 0.00 0.00 29.99 29.99 1o7m n HIS 556 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1o7m s VAL 558 N -1.44 2.67 0.48 0.00 1.01 -1.14 -0.16 120.40 121.82 1o7m s VAL 558 Ca 0.00 -0.76 -0.19 0.00 0.00 0.00 0.00 61.98 61.03 1o7m s VAL 558 Cb 0.00 -2.13 -0.09 0.00 0.00 0.00 0.00 36.38 34.16 1o7m s VAL 558 CO 0.00 0.51 0.99 -0.83 0.00 0.00 0.00 175.10 175.77 1o7m s GLY 559 N 0.88 2.31 0.49 4.51 0.00 0.11 -4.77 107.32 110.84 1o7m s GLY 559 Ca -0.04 0.38 0.18 0.00 0.00 0.00 0.00 44.72 45.24 1o7m s GLY 559 CO -0.01 0.67 2.05 1.48 0.00 0.00 0.00 173.10 177.29 1o7m h SER 560 N 1.45 0.13 -0.45 1.64 4.64 -1.95 -2.06 113.55 116.95 1o7m h SER 560 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1o7m h SER 560 Cb 1.19 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1o7m h SER 560 CO 0.60 0.09 0.00 -1.84 -0.87 0.00 0.00 176.83 174.81 1o7m n GLU 561 N -4.46 3.10 -1.80 4.77 0.00 -1.26 -4.37 120.64 116.62 1o7m n GLU 561 Ca 0.05 -2.07 -0.38 0.00 0.00 0.00 0.00 57.16 54.76 1o7m n GLU 561 Cb 0.33 -1.78 0.04 0.00 0.00 0.00 0.00 31.44 30.03 1o7m n GLU 561 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1o7m s VAL 562 N -1.85 2.12 -0.20 3.84 0.11 -0.78 -4.88 120.40 118.77 1o7m s VAL 562 Ca 0.37 0.09 0.01 0.00 -2.93 0.00 0.00 61.98 59.52 1o7m s VAL 562 Cb 0.25 -3.04 0.03 0.00 -1.53 0.00 0.00 36.38 32.08 1o7m s VAL 562 CO 0.16 -0.00 -0.16 -1.58 -3.33 0.00 0.00 175.10 170.19 1o7m s GLN 563 N -2.89 2.61 -0.32 1.54 0.74 -0.56 -4.05 119.66 116.72 1o7m s GLN 563 Ca 0.71 -0.91 -0.02 0.00 0.05 0.00 0.00 55.36 55.19 1o7m s GLN 563 Cb -0.40 -2.56 0.06 0.00 1.10 0.00 0.00 33.01 31.21 1o7m s GLN 563 CO 0.47 -0.32 0.05 -0.47 -0.55 0.00 0.00 175.29 174.47 1o7m s TYR 564 N 1.29 3.34 -0.05 1.67 5.04 -0.22 -1.27 117.35 127.15 1o7m s TYR 564 Ca 0.01 -1.99 0.02 0.00 -2.44 0.00 0.00 57.07 52.67 1o7m s TYR 564 Cb -0.15 -2.36 0.01 0.00 0.35 0.00 0.00 41.96 39.81 1o7m s TYR 564 CO -0.10 -0.84 -0.10 -1.14 -1.34 0.00 0.00 175.55 172.03 1o7m s GLN 565 N 1.23 1.32 -0.11 4.97 0.74 -0.01 -0.70 119.66 127.10 1o7m s GLN 565 Ca -0.02 -0.33 -0.01 0.00 0.05 0.00 0.00 55.36 55.06 1o7m s GLN 565 Cb -0.20 -1.15 0.03 0.00 1.10 0.00 0.00 33.01 32.78 1o7m s GLN 565 CO -0.02 0.04 -0.06 0.08 -0.55 0.00 0.00 175.29 174.78 1o7m s VAL 566 N 0.56 0.91 0.23 1.34 1.01 -0.35 -1.46 120.40 122.65 1o7m s VAL 566 Ca -0.11 -0.22 0.07 0.00 0.00 0.00 0.00 61.98 61.73 1o7m s VAL 566 Cb -0.13 -0.96 -0.04 0.00 0.00 0.00 0.00 36.38 35.25 1o7m s VAL 566 CO 0.02 0.35 0.17 0.27 0.00 0.00 0.00 175.10 175.91 1o7m s ILE 567 N 1.75 4.39 -0.19 2.22 -4.36 0.15 -0.39 121.20 124.78 1o7m s ILE 567 Ca 0.05 -1.36 0.01 0.00 -0.26 0.00 0.00 60.65 59.09 1o7m s ILE 567 Cb -0.12 -3.34 0.03 0.00 1.25 0.00 0.00 42.46 40.28 1o7m s ILE 567 CO -0.08 -0.30 -0.13 -0.55 0.24 0.00 0.00 174.94 174.12 1o7m s SER 568 N -3.67 3.31 -0.10 4.36 0.15 -0.64 -1.23 113.70 115.87 1o7m s SER 568 Ca 0.32 -0.81 -0.17 0.00 0.70 0.00 0.00 55.95 56.00 1o7m s SER 568 Cb -0.08 -1.32 -0.05 0.00 -1.71 0.00 0.00 66.02 62.86 1o7m s SER 568 CO 0.24 -0.10 0.44 -0.60 1.20 0.00 0.00 173.24 174.42 1o7m s ARG 569 N 1.36 4.26 0.31 5.44 3.52 -1.26 -2.31 118.95 130.26 1o7m s ARG 569 Ca 0.01 0.39 -0.29 0.00 -0.13 0.00 0.00 55.73 55.70 1o7m s ARG 569 Cb -0.15 -3.40 -0.10 0.00 -1.56 0.00 0.00 34.95 29.74 1o7m s ARG 569 CO -0.09 0.26 1.32 -2.00 -0.81 0.00 0.00 175.30 173.98 1o7m s GLU 570 N 0.30 4.35 -0.19 5.12 2.12 -0.20 -4.93 118.70 125.28 1o7m s GLU 570 Ca 0.24 2.21 -0.29 0.00 0.36 0.00 0.00 54.97 57.48 1o7m s GLU 570 Cb -0.15 -3.09 -0.01 0.00 0.26 0.00 0.00 34.13 31.15 1o7m s GLU 570 CO 0.10 -0.21 1.22 -0.51 -0.54 0.00 0.00 175.26 175.31 1o7m s LEU 571 N -1.50 4.15 0.27 2.70 1.02 -1.26 -4.99 118.68 119.07 1o7m s LEU 571 Ca 0.51 1.60 0.05 0.00 0.02 0.00 0.00 54.13 56.31 1o7m s LEU 571 Cb -0.40 -3.54 -0.06 0.00 0.02 0.00 0.00 46.19 42.22 1o7m s LEU 571 CO 0.51 -0.76 -0.03 -0.13 0.02 0.00 0.00 176.35 175.95 1o7m s ARG 572 N 3.48 1.50 0.45 1.70 1.81 -1.26 -5.13 118.95 121.48 1o7m s ARG 572 Ca 0.53 -1.76 -0.24 0.00 -1.72 0.00 0.00 55.73 52.53 1o7m s ARG 572 Cb -0.20 -0.98 -0.08 0.00 -0.45 0.00 0.00 34.95 33.25 1o7m s ARG 572 CO 0.13 -0.02 1.23 0.00 -0.68 0.00 0.00 175.30 175.96 1o7m s ALA 573 N -3.15 3.06 0.29 2.13 0.00 -1.26 -4.93 121.76 117.91 1o7m s ALA 573 Ca 0.30 1.07 -0.01 0.00 0.00 0.00 0.00 51.96 53.32 1o7m s ALA 573 Cb 0.05 -3.44 0.44 0.00 0.00 0.00 0.00 23.12 20.17 1o7m s ALA 573 CO 0.11 -0.78 1.91 0.00 0.00 0.00 0.00 175.76 177.01 1o7m h ALA 574 N 2.24 1.34 -0.24 0.00 0.00 -2.04 -2.27 119.26 118.29 1o7m h ALA 574 Ca -0.49 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.30 1o7m h ALA 574 Cb 1.25 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1o7m h ALA 574 CO 0.61 0.53 0.00 -1.13 0.00 0.00 0.00 179.25 179.26 1o7m n SER 575 N -4.36 1.57 -4.72 0.00 3.41 -1.26 -4.94 113.62 103.32 1o7m n SER 575 Ca 0.07 -1.87 -0.42 0.00 -0.26 0.00 0.00 58.87 56.39 1o7m n SER 575 Cb 0.11 -0.16 -0.03 0.00 -0.26 0.00 0.00 64.21 63.87 1o7m n SER 575 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1o7m s GLU 576 N -1.68 4.28 0.00 4.33 2.56 -0.86 -4.88 118.70 122.45 1o7m s GLU 576 Ca 0.25 2.22 0.00 0.00 0.00 0.00 0.00 54.97 57.44 1o7m s GLU 576 Cb 0.13 -3.19 0.00 0.00 2.00 0.00 0.00 34.13 33.07 1o7m s GLU 576 CO 0.19 -0.49 0.05 0.54 -0.56 0.00 0.00 175.26 174.98 1o7m n ARG 577 N 3.67 0.18 -0.09 4.30 1.74 -1.26 -4.96 116.66 120.23 1o7m n ARG 577 Ca 0.11 -0.05 -0.15 0.00 -0.77 0.00 0.00 57.85 57.00 1o7m n ARG 577 Cb 0.40 -0.42 -0.08 0.00 -1.02 0.00 0.00 32.46 31.34 1o7m n ARG 577 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1o7m n ARG 578 N -0.04 0.44 -2.34 5.56 1.74 -1.26 -4.97 116.66 115.80 1o7m n ARG 578 Ca 0.00 0.13 -0.43 0.00 -0.77 0.00 0.00 57.85 56.78 1o7m n ARG 578 Cb 0.15 -1.31 -0.02 0.00 -1.02 0.00 0.00 32.46 30.26 1o7m n ARG 578 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 1o7m s TYR 579 N -2.36 2.62 -0.01 -1.55 5.04 -1.26 -4.90 117.35 114.94 1o7m s TYR 579 Ca -0.25 0.83 0.01 0.00 -2.44 0.00 0.00 57.07 55.22 1o7m s TYR 579 Cb 0.08 -3.71 0.02 0.00 0.35 0.00 0.00 41.96 38.69 1o7m s TYR 579 CO 0.40 -2.09 1.01 1.63 -1.34 0.00 0.00 175.55 175.15 1o7m n LYS 580 N 6.97 2.87 -1.31 4.97 5.02 -1.26 -5.06 118.16 130.35 1o7m n LYS 580 Ca 0.15 -1.56 -0.31 0.00 -2.02 0.00 0.00 58.31 54.57 1o7m n LYS 580 Cb 0.45 -1.03 0.09 0.00 -0.02 0.00 0.00 35.03 34.52 1o7m n LYS 580 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1o7m s LEU 581 N -1.11 3.06 -0.27 -0.35 1.02 -1.26 -4.81 118.68 114.95 1o7m s LEU 581 Ca 0.02 1.81 -0.25 0.00 0.02 0.00 0.00 54.13 55.73 1o7m s LEU 581 Cb 0.02 -4.52 -0.11 0.00 0.02 0.00 0.00 46.19 41.60 1o7m s LEU 581 CO 0.00 -1.96 0.89 0.59 0.02 0.00 0.00 176.35 175.89 1o7m n ASN 582 N -3.43 0.63 0.18 2.29 5.03 -1.26 -4.80 115.26 113.90 1o7m n ASN 582 Ca 0.09 0.62 0.10 0.00 0.87 0.00 0.00 54.58 56.26 1o7m n ASN 582 Cb 0.53 -0.48 0.11 0.00 -1.02 0.00 0.00 39.78 38.92 1o7m n ASN 582 CO 0.00 0.00 0.00 -0.33 -1.83 0.00 0.00 177.26 175.10 1o7m h GLU 583 N 2.89 0.00 -3.82 3.52 5.08 -1.97 -3.47 114.58 116.80 1o7m h GLU 583 Ca -0.22 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.04 1o7m h GLU 583 Cb 0.74 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 29.88 1o7m h GLU 583 CO 0.54 0.11 -0.25 0.00 -1.00 0.00 0.00 179.01 178.41 1o7m s ALA 584 N -3.17 -0.04 0.17 3.43 0.00 -1.26 -1.03 121.76 119.85 1o7m s ALA 584 Ca 0.05 -0.92 0.06 0.00 0.00 0.00 0.00 51.96 51.16 1o7m s ALA 584 Cb 0.06 1.00 -0.04 0.00 0.00 0.00 0.00 23.12 24.14 1o7m s ALA 584 CO 0.71 -0.73 -0.13 0.00 0.00 0.00 0.00 175.76 175.61 1o7m s MET 585 N -4.00 1.17 -0.49 0.00 0.23 -0.98 -4.97 119.30 110.26 1o7m s MET 585 Ca 0.21 -1.46 -0.17 0.00 -1.03 0.00 0.00 55.69 53.24 1o7m s MET 585 Cb 0.02 -0.90 0.07 0.00 -1.53 0.00 0.00 34.83 32.49 1o7m s MET 585 CO 0.05 0.14 0.47 -0.80 -2.03 0.00 0.00 175.02 172.85 1o7m s ASN 586 N -3.07 6.17 0.12 -1.18 0.01 -1.26 -1.63 114.94 114.11 1o7m s ASN 586 Ca 0.17 -1.24 -0.16 0.00 -0.71 0.00 0.00 52.86 50.92 1o7m s ASN 586 Cb -0.01 -2.22 -0.02 0.00 0.41 0.00 0.00 41.25 39.42 1o7m s ASN 586 CO 0.04 -0.74 1.63 0.58 -1.51 0.00 0.00 177.10 177.10 1o7m h VAL 587 N 5.79 1.22 -4.12 1.60 2.07 -1.05 -3.43 116.25 118.34 1o7m h VAL 587 Ca -0.28 -0.74 -0.45 0.00 0.82 0.00 0.00 66.70 66.05 1o7m h VAL 587 Cb 1.11 0.98 -0.28 0.00 -1.52 0.00 0.00 31.29 31.58 1o7m h VAL 587 CO 0.92 0.26 -0.80 -0.31 0.02 0.00 0.00 177.57 177.65 1o7m s TYR 588 N -5.34 1.15 -0.49 1.57 1.51 -0.87 -4.94 117.35 109.94 1o7m s TYR 588 Ca -0.13 -0.26 0.06 0.00 -1.01 0.00 0.00 57.07 55.74 1o7m s TYR 588 Cb 0.10 -0.72 0.22 0.00 -0.11 0.00 0.00 41.96 41.44 1o7m s TYR 588 CO 0.76 -0.00 0.76 -1.71 -1.11 0.00 0.00 175.55 174.25 1o7m n ASN 589 N 2.51 -2.72 -4.59 2.29 5.15 -1.18 -1.21 115.26 115.51 1o7m n ASN 589 Ca -0.15 -3.05 -0.34 0.00 -0.60 0.00 0.00 54.58 50.43 1o7m n ASN 589 Cb 0.55 1.46 -0.11 0.00 -0.53 0.00 0.00 39.78 41.15 1o7m n ASN 589 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 1o7m s GLU 590 N 0.57 2.89 0.77 1.20 0.41 0.13 -4.90 118.70 119.78 1o7m s GLU 590 Ca 0.32 -0.52 -0.03 0.00 -0.41 0.00 0.00 54.97 54.32 1o7m s GLU 590 Cb 0.13 -2.66 0.14 0.00 -1.78 0.00 0.00 34.13 29.96 1o7m s GLU 590 CO -0.16 0.62 1.06 0.54 -0.49 0.00 0.00 175.26 176.83 1o7m s ASN 591 N -0.69 4.09 0.19 -0.19 2.20 -1.26 -1.06 114.94 118.21 1o7m s ASN 591 Ca 0.11 -0.28 -0.12 0.00 -0.94 0.00 0.00 52.86 51.62 1o7m s ASN 591 Cb -0.11 -0.01 0.18 0.00 -2.00 0.00 0.00 41.25 39.31 1o7m s ASN 591 CO 0.02 -2.05 1.78 0.15 -2.94 0.00 0.00 177.10 174.06 1o7m h PHE 592 N -0.74 0.49 -0.97 1.54 3.04 -1.76 -0.73 116.94 117.80 1o7m h PHE 592 Ca -0.37 0.02 0.02 0.00 3.98 0.00 0.00 57.97 61.62 1o7m h PHE 592 Cb 1.26 -0.14 -0.05 0.00 2.56 0.00 0.00 35.95 39.58 1o7m h PHE 592 CO -0.39 0.22 0.64 0.37 -2.02 0.00 0.00 178.31 177.13 1o7m h GLN 593 N 0.51 1.23 -0.44 1.11 -0.00 -1.94 0.37 115.11 115.96 1o7m h GLN 593 Ca 0.25 -0.07 -0.13 0.00 -0.00 0.00 0.00 58.65 58.69 1o7m h GLN 593 Cb 0.19 -0.28 -0.01 0.00 0.00 0.00 0.00 27.48 27.38 1o7m h GLN 593 CO -0.19 0.82 -0.25 1.96 0.00 0.00 0.00 178.83 181.16 1o7m h GLN 594 N 1.27 0.94 -0.66 1.69 4.20 -1.73 -1.19 115.11 119.63 1o7m h GLN 594 Ca 0.37 -0.43 -0.01 0.00 0.06 0.00 0.00 58.65 58.64 1o7m h GLN 594 Cb -0.08 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 27.66 1o7m h GLN 594 CO -0.10 1.09 0.38 -0.07 -0.67 0.00 0.00 178.83 179.46 1o7m h LEU 595 N 0.77 0.81 -0.76 1.46 3.38 -0.70 -2.02 115.31 118.24 1o7m h LEU 595 Ca 0.09 -0.08 0.05 0.00 0.09 0.00 0.00 57.88 58.04 1o7m h LEU 595 Cb 0.83 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 41.32 1o7m h LEU 595 CO 0.07 0.65 0.46 0.50 0.09 0.00 0.00 178.44 180.21 1o7m h LYS 596 N 0.90 0.83 -0.45 1.13 3.64 -0.57 0.16 116.57 122.20 1o7m h LYS 596 Ca 0.23 -0.05 0.03 0.00 -1.27 0.00 0.00 60.65 59.59 1o7m h LYS 596 Cb 0.01 -0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 31.61 1o7m h LYS 596 CO -0.04 0.55 0.25 0.28 -2.27 0.00 0.00 179.45 178.22 1o7m h VAL 597 N 0.85 1.01 -0.44 2.00 2.07 -0.78 0.32 116.25 121.28 1o7m h VAL 597 Ca 0.33 -0.17 -0.03 0.00 0.82 0.00 0.00 66.70 67.65 1o7m h VAL 597 Cb 0.14 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 30.35 1o7m h VAL 597 CO -0.16 0.09 0.15 0.03 0.02 0.00 0.00 177.57 177.70 1o7m h ARG 598 N 0.50 0.63 -0.21 1.57 3.08 -0.61 -0.78 114.38 118.56 1o7m h ARG 598 Ca 0.19 -0.09 -0.09 0.00 0.07 0.00 0.00 59.98 60.05 1o7m h ARG 598 Cb 0.05 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 29.99 1o7m h ARG 598 CO -0.11 0.54 -0.24 0.28 -1.07 0.00 0.00 179.97 179.38 1o7m h VAL 599 N 0.62 1.33 -0.86 2.04 2.07 -0.33 -1.77 116.25 119.36 1o7m h VAL 599 Ca 0.15 -1.41 0.00 0.00 0.82 0.00 0.00 66.70 66.26 1o7m h VAL 599 Cb 0.16 1.76 -0.04 0.00 -1.52 0.00 0.00 31.29 31.65 1o7m h VAL 599 CO -0.01 0.43 0.54 -0.33 0.02 0.00 0.00 177.57 178.22 1o7m h GLU 600 N 0.21 1.14 -0.90 1.57 4.39 -0.50 -1.46 114.58 119.03 1o7m h GLU 600 Ca 0.03 -0.09 -0.02 0.00 0.34 0.00 0.00 59.36 59.63 1o7m h GLU 600 Cb 0.79 -0.25 -0.04 0.00 -0.10 0.00 0.00 28.75 29.15 1o7m h GLU 600 CO 0.06 0.78 0.49 1.25 -1.16 0.00 0.00 179.01 180.42 1o7m h HIS 601 N 1.17 1.24 -0.56 4.33 2.76 -0.96 -1.10 115.15 122.03 1o7m h HIS 601 Ca 0.31 -0.03 -0.08 0.00 -2.20 0.00 0.00 60.37 58.36 1o7m h HIS 601 Cb -0.09 -0.40 -0.02 0.00 1.55 0.00 0.00 27.41 28.45 1o7m h HIS 601 CO 0.00 0.86 0.02 1.96 -1.30 0.00 0.00 177.93 179.47 1o7m h GLN 602 N 1.26 0.94 0.00 5.26 1.08 -0.58 -3.22 115.11 119.84 1o7m h GLN 602 Ca 0.32 -0.27 0.00 0.00 -1.45 0.00 0.00 58.65 57.25 1o7m h GLN 602 Cb 0.04 -0.10 0.00 0.00 -0.05 0.00 0.00 27.48 27.37 1o7m h GLN 602 CO -0.05 0.92 -0.40 1.28 -0.95 0.00 0.00 178.83 179.62 1o7m n LEU 603 N -4.20 0.46 -4.71 1.46 4.32 -0.62 -4.90 117.00 108.80 1o7m n LEU 603 Ca 0.03 0.19 -0.42 0.00 -0.02 0.00 0.00 56.01 55.79 1o7m n LEU 603 Cb 0.32 -0.29 -0.03 0.00 -1.62 0.00 0.00 43.42 41.80 1o7m n LEU 603 CO 0.43 0.04 1.28 -0.62 -1.22 0.00 0.00 177.39 177.29 1o7m s ASP 604 N -3.38 6.54 0.00 -1.43 2.15 -0.46 -4.87 116.67 115.22 1o7m s ASP 604 Ca 0.10 2.66 0.08 0.00 0.43 0.00 0.00 52.55 55.83 1o7m s ASP 604 Cb 0.17 -2.59 0.36 0.00 -0.30 0.00 0.00 42.92 40.55 1o7m s ASP 604 CO 0.66 -0.87 1.26 -0.81 -0.17 0.00 0.00 175.17 175.25 1o7m n PRO 605 N 4.18 0.01 -0.57 4.34 -0.04 -1.26 -1.30 135.00 140.36 1o7m n PRO 605 Ca 0.15 0.35 0.10 0.00 -0.04 0.00 0.00 63.50 64.05 1o7m n PRO 605 Cb 0.38 -1.50 0.35 0.00 -0.04 0.00 0.00 33.50 32.69 1o7m n PRO 605 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1o7m n GLN 606 N -1.49 3.57 -2.52 0.54 6.02 -1.26 -4.75 117.38 117.49 1o7m n GLN 606 Ca 0.02 -2.84 -0.40 0.00 -0.01 0.00 0.00 57.00 53.77 1o7m n GLN 606 Cb 0.10 -1.83 -0.03 0.00 1.02 0.00 0.00 30.24 29.49 1o7m n GLN 606 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 1o7m s ASN 607 N -0.95 6.37 0.46 1.08 3.84 -0.42 -4.83 114.94 120.49 1o7m s ASN 607 Ca 0.50 -1.31 0.18 0.00 0.21 0.00 0.00 52.86 52.45 1o7m s ASN 607 Cb 0.31 -2.57 1.12 0.00 -0.55 0.00 0.00 41.25 39.56 1o7m s ASN 607 CO 0.25 -1.63 2.01 -0.50 -2.79 0.00 0.00 177.10 174.44 1o7m h TRP 608 N 9.95 0.00 0.00 0.43 4.06 -1.88 -1.94 115.95 126.57 1o7m h TRP 608 Ca 0.15 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.10 1o7m h TRP 608 Cb 1.01 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.17 1o7m h TRP 608 CO 1.26 0.18 0.00 0.78 -3.56 0.00 0.00 178.44 177.10 1o7m h GLY 609 N 0.66 0.00 -1.48 1.49 0.00 -1.97 -2.63 103.07 99.14 1o7m h GLY 609 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1o7m h GLY 609 CO 0.02 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.26 1o7m n ASN 610 N -2.30 2.15 -3.87 0.19 3.02 -0.73 -4.76 115.26 108.96 1o7m n ASN 610 Ca 0.01 -2.04 -0.25 0.00 -0.03 0.00 0.00 54.58 52.27 1o7m n ASN 610 Cb 0.20 -0.28 -0.17 0.00 -0.61 0.00 0.00 39.78 38.91 1o7m n ASN 610 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1o7m s SER 611 N -0.95 1.90 0.79 6.41 0.15 -0.99 -2.95 113.70 118.07 1o7m s SER 611 Ca 0.26 -0.23 -0.11 0.00 0.70 0.00 0.00 55.95 56.57 1o7m s SER 611 Cb 0.14 -0.70 0.07 0.00 -1.71 0.00 0.00 66.02 63.82 1o7m s SER 611 CO 0.16 -0.13 1.09 -2.16 1.20 0.00 0.00 173.24 173.41 1o7m s PRO 612 N 1.68 2.07 0.18 5.44 0.04 -1.26 -5.02 135.00 138.13 1o7m s PRO 612 Ca 0.03 1.14 -0.33 0.00 0.04 0.00 0.00 61.00 61.87 1o7m s PRO 612 Cb -0.13 -1.88 -0.13 0.00 0.04 0.00 0.00 34.50 32.40 1o7m s PRO 612 CO -0.06 -1.76 1.62 1.17 0.04 0.00 0.00 177.00 178.01 1o7m n LYS 613 N -3.60 2.36 -0.97 4.56 4.81 -1.15 -4.83 118.16 119.34 1o7m n LYS 613 Ca 0.09 0.85 -0.31 0.00 -0.87 0.00 0.00 58.31 58.08 1o7m n LYS 613 Cb 0.53 -2.64 0.14 0.00 0.02 0.00 0.00 35.03 33.08 1o7m n LYS 613 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1o7m s LEU 614 N 0.94 2.61 -0.10 3.14 1.02 -1.26 -4.91 118.68 120.12 1o7m s LEU 614 Ca 0.77 1.87 0.01 0.00 0.02 0.00 0.00 54.13 56.80 1o7m s LEU 614 Cb -0.62 -4.32 0.02 0.00 0.02 0.00 0.00 46.19 41.29 1o7m s LEU 614 CO 0.37 -2.76 -0.12 -0.13 0.02 0.00 0.00 176.35 173.73 1o7m s ARG 615 N -4.77 1.87 -0.01 1.70 1.81 -0.49 -5.00 118.95 114.05 1o7m s ARG 615 Ca 0.64 -0.42 0.07 0.00 -1.72 0.00 0.00 55.73 54.30 1o7m s ARG 615 Cb -0.20 -1.69 -0.02 0.00 -0.45 0.00 0.00 34.95 32.58 1o7m s ARG 615 CO 0.58 -0.13 -0.23 -0.06 -0.68 0.00 0.00 175.30 174.78 1o7m s PHE 616 N 1.20 2.42 -0.07 -0.53 0.40 -1.26 -0.24 117.98 119.90 1o7m s PHE 616 Ca -0.03 -0.36 -0.03 0.00 -0.60 0.00 0.00 56.93 55.91 1o7m s PHE 616 Cb -0.14 -1.50 0.04 0.00 0.51 0.00 0.00 43.02 41.93 1o7m s PHE 616 CO -0.04 0.06 0.13 0.99 0.70 0.00 0.00 175.22 177.07 1o7m s THR 617 N -0.70 -0.20 -0.06 0.64 2.01 -0.49 -4.79 115.64 112.04 1o7m s THR 617 Ca 0.11 0.37 0.02 0.00 0.31 0.00 0.00 61.69 62.50 1o7m s THR 617 Cb -0.10 -0.25 -0.03 0.00 0.01 0.00 0.00 72.50 72.13 1o7m s THR 617 CO 0.00 0.15 -0.11 -0.13 -0.69 0.00 0.00 174.62 173.85 1o7m s ARG 618 N 2.18 2.67 -0.24 4.92 0.52 -1.26 -0.73 118.95 127.02 1o7m s ARG 618 Ca 0.03 -0.62 0.02 0.00 -0.52 0.00 0.00 55.73 54.63 1o7m s ARG 618 Cb -0.12 -2.50 0.05 0.00 0.52 0.00 0.00 34.95 32.91 1o7m s ARG 618 CO -0.05 0.62 -0.10 -0.06 0.02 0.00 0.00 175.30 175.73 1o7m s PHE 619 N -0.71 2.86 -0.21 -0.53 0.08 0.49 -4.99 117.98 114.98 1o7m s PHE 619 Ca 0.11 -2.00 -0.07 0.00 0.12 0.00 0.00 56.93 55.09 1o7m s PHE 619 Cb -0.11 -1.79 -0.03 0.00 -0.57 0.00 0.00 43.02 40.52 1o7m s PHE 619 CO 0.01 -0.82 0.05 0.42 -0.10 0.00 0.00 175.22 174.78 1o7m s ILE 620 N 1.24 4.40 0.32 0.64 -1.09 -1.26 -1.10 121.20 124.35 1o7m s ILE 620 Ca -0.06 -0.16 0.06 0.00 -2.23 0.00 0.00 60.65 58.27 1o7m s ILE 620 Cb -0.18 -3.01 -0.03 0.00 -1.58 0.00 0.00 42.46 37.65 1o7m s ILE 620 CO -0.06 0.40 0.25 0.42 -1.23 0.00 0.00 174.94 174.72 1o7m s THR 621 N 1.01 0.05 -1.46 2.92 -4.23 -0.47 -4.94 115.64 108.51 1o7m s THR 621 Ca 0.03 -2.00 -0.10 0.00 -1.18 0.00 0.00 61.69 58.45 1o7m s THR 621 Cb -0.14 -2.49 0.06 0.00 1.34 0.00 0.00 72.50 71.27 1o7m s THR 621 CO 0.03 0.00 0.94 0.59 -0.54 0.00 0.00 174.62 175.64 1o7m n ASN 622 N -1.42 -4.06 -4.71 3.99 4.13 -1.26 -0.87 115.26 111.06 1o7m n ASN 622 Ca 0.06 -0.76 -0.42 0.00 1.68 0.00 0.00 54.58 55.14 1o7m n ASN 622 Cb 0.63 -4.06 -0.03 0.00 -1.54 0.00 0.00 39.78 34.78 1o7m n ASN 622 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1o7m s VAL 623 N -3.39 3.62 0.04 2.41 1.01 -1.26 -4.27 120.40 118.56 1o7m s VAL 623 Ca 0.49 1.13 0.05 0.00 0.00 0.00 0.00 61.98 63.65 1o7m s VAL 623 Cb -0.24 -3.73 -0.02 0.00 0.00 0.00 0.00 36.38 32.39 1o7m s VAL 623 CO 0.81 0.07 -0.14 -1.10 0.00 0.00 0.00 175.10 174.74 1o7m s GLN 624 N 1.38 0.90 -0.02 2.72 -0.21 0.26 -4.99 119.66 119.70 1o7m s GLN 624 Ca 0.63 -0.78 -0.02 0.00 0.02 0.00 0.00 55.36 55.21 1o7m s GLN 624 Cb -0.33 -0.91 0.01 0.00 1.00 0.00 0.00 33.01 32.78 1o7m s GLN 624 CO 0.29 0.22 0.06 0.00 -2.12 0.00 0.00 175.29 173.74 1o7m s ALA 625 N -0.92 -0.11 -0.13 6.09 0.00 -1.26 -0.53 121.76 124.90 1o7m s ALA 625 Ca 0.01 0.22 -0.10 0.00 0.00 0.00 0.00 51.96 52.09 1o7m s ALA 625 Cb -0.08 -0.14 0.04 0.00 0.00 0.00 0.00 23.12 22.94 1o7m s ALA 625 CO 0.01 -0.05 0.33 0.00 0.00 0.00 0.00 175.76 176.05 1o7m s ALA 626 N 0.29 -0.81 0.43 0.00 0.00 -0.33 -4.75 121.76 116.58 1o7m s ALA 626 Ca -0.02 1.05 -0.24 0.00 0.00 0.00 0.00 51.96 52.75 1o7m s ALA 626 Cb -0.03 -0.63 -0.08 0.00 0.00 0.00 0.00 23.12 22.38 1o7m s ALA 626 CO -0.01 -0.18 1.17 -1.64 0.00 0.00 0.00 175.76 175.10 1o7m s MET 627 N 0.59 3.91 0.37 0.00 -1.94 -1.26 -0.43 119.30 120.54 1o7m s MET 627 Ca -0.03 1.82 -0.27 0.00 -1.71 0.00 0.00 55.69 55.49 1o7m s MET 627 Cb -0.05 -2.54 -0.09 0.00 2.01 0.00 0.00 34.83 34.16 1o7m s MET 627 CO -0.04 -0.44 1.24 0.34 -0.01 0.00 0.00 175.02 176.12 1o7m s ASP 628 N -1.23 6.58 0.33 3.03 2.15 0.36 -4.85 116.67 123.04 1o7m s ASP 628 Ca 0.60 2.53 0.08 0.00 0.43 0.00 0.00 52.55 56.19 1o7m s ASP 628 Cb -0.30 -2.63 0.58 0.00 -0.30 0.00 0.00 42.92 40.27 1o7m s ASP 628 CO 0.37 -0.65 1.78 0.58 -0.17 0.00 0.00 175.17 177.08 1o7m h VAL 629 N 2.62 1.27 0.00 1.11 2.07 -1.94 -3.38 116.25 117.99 1o7m h VAL 629 Ca -0.49 -1.28 -0.39 0.00 0.82 0.00 0.00 66.70 65.36 1o7m h VAL 629 Cb 1.23 1.55 -0.06 0.00 -1.52 0.00 0.00 31.29 32.49 1o7m h VAL 629 CO 0.64 0.38 -2.34 0.59 0.02 0.00 0.00 177.57 176.86 1o7m n ASN 630 N -4.10 1.85 -4.37 0.57 3.02 -1.26 -4.76 115.26 106.21 1o7m n ASN 630 Ca -0.01 0.18 -0.46 0.00 -0.03 0.00 0.00 54.58 54.26 1o7m n ASN 630 Cb 0.41 -0.62 -0.02 0.00 -0.61 0.00 0.00 39.78 38.95 1o7m n ASN 630 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1o7m s ASP 631 N -6.92 6.88 0.00 6.41 -1.08 -1.26 -4.84 116.67 115.86 1o7m s ASP 631 Ca -0.33 -2.78 0.00 0.00 -0.52 0.00 0.00 52.55 48.92 1o7m s ASP 631 Cb 0.12 -2.26 0.00 0.00 -1.46 0.00 0.00 42.92 39.31 1o7m s ASP 631 CO 0.45 -0.62 0.59 0.29 0.52 0.00 0.00 175.17 176.40 1o7m n LYS 632 N 4.34 0.00 0.09 4.34 5.02 -1.26 0.25 118.16 130.94 1o7m n LYS 632 Ca 0.20 0.16 0.11 0.00 -2.02 0.00 0.00 58.31 56.75 1o7m n LYS 632 Cb 0.45 -1.55 -0.01 0.00 -0.02 0.00 0.00 35.03 33.90 1o7m n LYS 632 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1o7m n GLU 633 N -1.09 0.61 -3.55 1.97 -0.58 -1.26 -4.91 120.64 111.83 1o7m n GLU 633 Ca 0.00 0.12 -0.38 0.00 -0.42 0.00 0.00 57.16 56.48 1o7m n GLU 633 Cb 0.05 -1.81 -0.10 0.00 -0.57 0.00 0.00 31.44 29.01 1o7m n GLU 633 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 1o7m s LEU 634 N -5.36 4.06 -0.25 -4.62 2.96 0.68 -4.02 118.68 112.13 1o7m s LEU 634 Ca -0.01 0.13 -0.06 0.00 -0.22 0.00 0.00 54.13 53.97 1o7m s LEU 634 Cb 0.10 -2.21 -0.01 0.00 0.50 0.00 0.00 46.19 44.56 1o7m s LEU 634 CO 0.80 -0.05 0.03 -0.22 -1.32 0.00 0.00 176.35 175.60 1o7m s LEU 635 N 1.58 3.35 -0.14 -0.68 2.96 -0.74 0.14 118.68 125.14 1o7m s LEU 635 Ca 0.10 -0.38 -0.22 0.00 -0.22 0.00 0.00 54.13 53.41 1o7m s LEU 635 Cb -0.15 -1.85 -0.03 0.00 0.50 0.00 0.00 46.19 44.66 1o7m s LEU 635 CO 0.09 -0.06 0.67 -1.00 -1.32 0.00 0.00 176.35 174.72 1o7m s HIS 636 N 1.54 3.46 -0.08 5.38 3.76 0.43 -0.44 115.29 129.34 1o7m s HIS 636 Ca 0.05 1.08 0.02 0.00 -0.15 0.00 0.00 55.06 56.06 1o7m s HIS 636 Cb -0.15 -2.81 0.01 0.00 1.11 0.00 0.00 32.58 30.74 1o7m s HIS 636 CO 0.01 -0.06 -0.13 0.42 -0.85 0.00 0.00 174.74 174.12 1o7m s ILE 637 N 1.45 1.27 -0.07 0.60 1.01 -0.56 -1.19 121.20 123.71 1o7m s ILE 637 Ca 0.33 -0.53 0.01 0.00 0.00 0.00 0.00 60.65 60.46 1o7m s ILE 637 Cb -0.16 -1.16 -0.03 0.00 0.01 0.00 0.00 42.46 41.12 1o7m s ILE 637 CO 0.13 0.39 -0.08 -0.60 0.00 0.00 0.00 174.94 174.78 1o7m s ARG 638 N 0.81 2.75 0.09 2.79 3.52 0.31 -0.72 118.95 128.49 1o7m s ARG 638 Ca -0.11 -0.57 -0.23 0.00 -0.13 0.00 0.00 55.73 54.69 1o7m s ARG 638 Cb -0.15 -2.57 0.06 0.00 -1.56 0.00 0.00 34.95 30.73 1o7m s ARG 638 CO 0.02 0.64 0.55 -1.54 -0.81 0.00 0.00 175.30 174.16 1o7m s SER 639 N -0.74 -0.48 0.04 -2.12 1.04 -0.96 -0.58 113.70 109.90 1o7m s SER 639 Ca 0.11 0.09 0.04 0.00 0.48 0.00 0.00 55.95 56.67 1o7m s SER 639 Cb -0.11 0.54 -0.04 0.00 0.10 0.00 0.00 66.02 66.51 1o7m s SER 639 CO 0.01 -0.83 -0.04 0.20 0.98 0.00 0.00 173.24 173.56 1o7m s ASN 640 N -2.33 4.77 -0.03 7.02 0.01 -0.05 0.10 114.94 124.44 1o7m s ASN 640 Ca -0.02 -0.17 0.03 0.00 -0.71 0.00 0.00 52.86 51.99 1o7m s ASN 640 Cb -0.00 -1.11 -0.00 0.00 0.41 0.00 0.00 41.25 40.54 1o7m s ASN 640 CO -0.07 0.24 -0.12 0.54 -1.51 0.00 0.00 177.10 176.18 1o7m s VAL 641 N -1.13 1.02 -0.16 1.60 0.11 0.07 -1.37 120.40 120.52 1o7m s VAL 641 Ca 0.20 -0.50 -0.03 0.00 -2.93 0.00 0.00 61.98 58.72 1o7m s VAL 641 Cb -0.11 -0.88 -0.02 0.00 -1.53 0.00 0.00 36.38 33.83 1o7m s VAL 641 CO 0.12 0.30 -0.05 -0.63 -3.33 0.00 0.00 175.10 171.51 1o7m s ILE 642 N 0.04 3.67 -0.14 7.04 1.01 -0.26 -1.71 121.20 130.85 1o7m s ILE 642 Ca -0.01 -0.43 0.00 0.00 0.00 0.00 0.00 60.65 60.21 1o7m s ILE 642 Cb -0.09 -2.61 0.02 0.00 0.01 0.00 0.00 42.46 39.80 1o7m s ILE 642 CO 0.01 0.48 -0.12 -0.22 0.00 0.00 0.00 174.94 175.09 1o7m s LEU 643 N 0.59 1.51 -0.24 2.97 0.20 0.11 -0.38 118.68 123.44 1o7m s LEU 643 Ca -0.03 -0.42 -0.08 0.00 0.69 0.00 0.00 54.13 54.29 1o7m s LEU 643 Cb -0.15 -1.06 -0.03 0.00 -0.43 0.00 0.00 46.19 44.52 1o7m s LEU 643 CO 0.03 -0.08 0.08 -2.28 -0.29 0.00 0.00 176.35 173.81 1o7m s HIS 644 N 1.57 3.12 -0.20 5.38 5.65 0.10 -0.13 115.29 130.77 1o7m s HIS 644 Ca 0.05 -0.28 -0.02 0.00 0.25 0.00 0.00 55.06 55.06 1o7m s HIS 644 Cb -0.13 -2.23 -0.00 0.00 -1.18 0.00 0.00 32.58 29.04 1o7m s HIS 644 CO -0.10 -0.26 -0.10 0.50 -0.65 0.00 0.00 174.74 174.13 1o7m s ARG 645 N 1.44 3.26 -0.07 2.88 3.52 0.33 -1.39 118.95 128.91 1o7m s ARG 645 Ca 0.06 -0.70 0.04 0.00 -0.13 0.00 0.00 55.73 55.00 1o7m s ARG 645 Cb -0.15 -2.83 -0.01 0.00 -1.56 0.00 0.00 34.95 30.40 1o7m s ARG 645 CO 0.04 -0.15 -0.21 0.00 -0.81 0.00 0.00 175.30 174.17 1o7m s ALA 646 N 1.29 2.35 0.07 6.12 0.00 0.67 -1.42 121.76 130.83 1o7m s ALA 646 Ca 0.03 -1.00 -0.19 0.00 0.00 0.00 0.00 51.96 50.80 1o7m s ALA 646 Cb -0.14 -0.83 0.04 0.00 0.00 0.00 0.00 23.12 22.19 1o7m s ALA 646 CO -0.05 0.41 0.45 -0.98 0.00 0.00 0.00 175.76 175.59 1o7m s ARG 647 N -0.17 1.01 -1.52 0.00 1.70 -0.63 -1.40 118.95 117.94 1o7m s ARG 647 Ca -0.02 -0.42 -0.14 0.00 -0.47 0.00 0.00 55.73 54.68 1o7m s ARG 647 Cb -0.14 0.45 0.08 0.00 -0.57 0.00 0.00 34.95 34.78 1o7m s ARG 647 CO 0.04 -0.37 1.00 0.54 -1.08 0.00 0.00 175.30 175.43 1o7m n ARG 648 N 0.24 -5.72 0.00 3.89 1.74 -1.26 -1.68 116.66 113.87 1o7m n ARG 648 Ca -0.18 0.62 0.00 0.00 -0.77 0.00 0.00 57.85 57.52 1o7m n ARG 648 Cb 0.61 -5.52 0.00 0.00 -1.02 0.00 0.00 32.46 26.53 1o7m n ARG 648 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1o7m n GLY 649 N -1.72 2.04 0.25 -0.13 0.00 -1.26 -4.31 105.19 100.07 1o7m n GLY 649 Ca 0.04 -0.29 0.02 0.00 0.00 0.00 0.00 46.02 45.79 1o7m n GLY 649 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1o7m n ASN 650 N 3.17 0.59 -4.66 1.61 0.23 -1.23 -5.02 115.26 109.94 1o7m n ASN 650 Ca 0.00 -1.92 -0.38 0.00 -0.53 0.00 0.00 54.58 51.75 1o7m n ASN 650 Cb 0.00 -0.17 -0.08 0.00 -2.08 0.00 0.00 39.78 37.46 1o7m n ASN 650 CO 0.00 0.00 0.00 -1.58 -0.93 0.00 0.00 177.26 174.75 1o7m s GLN 651 N -0.58 4.15 -0.05 -3.83 0.74 -0.68 -5.02 119.66 114.39 1o7m s GLN 651 Ca 0.05 0.19 -0.01 0.00 0.05 0.00 0.00 55.36 55.64 1o7m s GLN 651 Cb 0.05 -3.56 0.03 0.00 1.10 0.00 0.00 33.01 30.63 1o7m s GLN 651 CO 0.01 -0.09 0.00 0.08 -0.55 0.00 0.00 175.29 174.74 1o7m s VAL 652 N 1.47 0.27 -0.04 1.34 1.01 -1.26 -1.60 120.40 121.60 1o7m s VAL 652 Ca 0.19 0.13 0.03 0.00 0.00 0.00 0.00 61.98 62.33 1o7m s VAL 652 Cb -0.15 -0.41 0.00 0.00 0.00 0.00 0.00 36.38 35.82 1o7m s VAL 652 CO 0.08 0.21 -0.13 -1.81 0.00 0.00 0.00 175.10 173.45 1o7m s ASP 653 N 1.61 1.73 -0.11 3.32 1.01 -0.51 -5.00 116.67 118.72 1o7m s ASP 653 Ca -0.01 -0.28 0.01 0.00 0.71 0.00 0.00 52.55 52.98 1o7m s ASP 653 Cb -0.13 -0.49 0.02 0.00 1.01 0.00 0.00 42.92 43.33 1o7m s ASP 653 CO -0.03 0.11 -0.12 -0.69 0.21 0.00 0.00 175.17 174.64 1o7m s VAL 654 N 0.14 1.31 0.07 -1.27 1.01 -1.26 -0.51 120.40 119.89 1o7m s VAL 654 Ca -0.04 -0.51 0.04 0.00 0.00 0.00 0.00 61.98 61.47 1o7m s VAL 654 Cb -0.10 -1.23 -0.04 0.00 0.00 0.00 0.00 36.38 35.00 1o7m s VAL 654 CO 0.01 0.41 -0.01 -0.36 0.00 0.00 0.00 175.10 175.15 1o7m s PHE 655 N 1.22 2.98 -0.03 5.22 0.40 0.81 -4.94 117.98 123.66 1o7m s PHE 655 Ca -0.03 -0.02 0.01 0.00 -0.60 0.00 0.00 56.93 56.30 1o7m s PHE 655 Cb -0.14 -1.56 0.02 0.00 0.51 0.00 0.00 43.02 41.85 1o7m s PHE 655 CO -0.04 0.46 -0.02 0.71 0.70 0.00 0.00 175.22 177.03 1o7m s TYR 656 N -1.24 0.43 -0.02 0.36 1.51 -1.26 -0.71 117.35 116.42 1o7m s TYR 656 Ca 0.24 -0.06 -0.28 0.00 -1.01 0.00 0.00 57.07 55.95 1o7m s TYR 656 Cb -0.12 -0.42 0.10 0.00 -0.11 0.00 0.00 41.96 41.41 1o7m s TYR 656 CO 0.16 -0.11 0.85 0.00 -1.11 0.00 0.00 175.55 175.34 1o7m s ALA 657 N 0.70 -1.81 -0.10 3.71 0.00 -0.69 -4.49 121.76 119.06 1o7m s ALA 657 Ca -0.08 1.08 -0.06 0.00 0.00 0.00 0.00 51.96 52.91 1o7m s ALA 657 Cb -0.11 0.23 -0.04 0.00 0.00 0.00 0.00 23.12 23.21 1o7m s ALA 657 CO -0.01 -0.60 0.12 0.00 0.00 0.00 0.00 175.76 175.27 1o7m s ALA 658 N -2.66 3.77 -0.15 0.00 0.00 -1.26 -0.76 121.76 120.71 1o7m s ALA 658 Ca 0.02 -0.68 0.02 0.00 0.00 0.00 0.00 51.96 51.31 1o7m s ALA 658 Cb -0.01 -1.87 0.01 0.00 0.00 0.00 0.00 23.12 21.25 1o7m s ALA 658 CO -0.06 0.62 -0.20 1.03 0.00 0.00 0.00 175.76 177.16 1o7m s ARG 659 N -1.07 3.08 -0.45 0.00 0.52 0.11 -4.43 118.95 116.71 1o7m s ARG 659 Ca 0.16 -0.82 -0.14 0.00 -0.52 0.00 0.00 55.73 54.41 1o7m s ARG 659 Cb -0.12 -2.50 0.07 0.00 0.52 0.00 0.00 34.95 32.92 1o7m s ARG 659 CO 0.05 -0.02 0.35 -1.21 0.02 0.00 0.00 175.30 174.49 1o7m s GLU 660 N 0.85 2.89 0.18 3.54 2.02 -0.26 -2.27 118.70 125.65 1o7m s GLU 660 Ca -0.06 -1.34 0.07 0.00 0.02 0.00 0.00 54.97 53.66 1o7m s GLU 660 Cb -0.15 -4.03 -0.04 0.00 0.10 0.00 0.00 34.13 30.01 1o7m s GLU 660 CO -0.02 -0.98 0.00 -0.51 0.02 0.00 0.00 175.26 173.77 1o7m s ASP 661 N 2.39 4.75 -0.09 -0.19 1.01 0.10 -0.82 116.67 123.82 1o7m s ASP 661 Ca 0.04 -0.42 0.03 0.00 0.71 0.00 0.00 52.55 52.91 1o7m s ASP 661 Cb -0.23 -1.00 0.01 0.00 1.01 0.00 0.00 42.92 42.70 1o7m s ASP 661 CO 0.06 0.08 -0.17 -0.54 0.21 0.00 0.00 175.17 174.80 1o7m s LYS 662 N -3.01 2.33 -0.02 8.23 1.02 0.25 -1.49 119.74 127.05 1o7m s LYS 662 Ca 0.28 -0.63 0.06 0.00 0.02 0.00 0.00 55.97 55.71 1o7m s LYS 662 Cb -0.09 -1.86 -0.02 0.00 -0.52 0.00 0.00 37.83 35.35 1o7m s LYS 662 CO 0.19 0.06 -0.21 -1.58 -0.92 0.00 0.00 175.35 172.89 1o7m s TRP 663 N 0.62 1.93 0.02 3.18 0.52 0.41 -0.46 118.94 125.16 1o7m s TRP 663 Ca -0.14 -0.40 0.02 0.00 0.02 0.00 0.00 56.10 55.60 1o7m s TRP 663 Cb -0.16 -1.25 -0.01 0.00 -1.15 0.00 0.00 33.47 30.89 1o7m s TRP 663 CO 0.04 -0.06 -0.06 0.21 0.02 0.00 0.00 176.95 177.11 1o7m s LYS 664 N -0.44 0.43 0.25 4.98 2.20 0.13 -1.79 119.74 125.51 1o7m s LYS 664 Ca 0.07 -0.47 -0.30 0.00 -0.36 0.00 0.00 55.97 54.91 1o7m s LYS 664 Cb -0.09 -0.29 -0.09 0.00 -1.51 0.00 0.00 37.83 35.85 1o7m s LYS 664 CO -0.00 0.06 1.22 1.03 -0.36 0.00 0.00 175.35 177.30 1o7m s ARG 665 N -0.88 4.48 0.00 4.03 0.52 -1.26 -0.68 118.95 125.16 1o7m s ARG 665 Ca -0.05 1.98 0.00 0.00 -0.52 0.00 0.00 55.73 57.14 1o7m s ARG 665 Cb -0.06 -3.18 0.00 0.00 0.52 0.00 0.00 34.95 32.23 1o7m s ARG 665 CO 0.00 -0.07 0.00 0.41 0.02 0.00 0.00 175.30 175.66 1o7m n GLY 666 N 1.65 5.10 3.74 -3.53 0.00 0.21 -4.88 105.19 107.48 1o7m n GLY 666 Ca 0.02 -1.66 -0.41 0.00 0.00 0.00 0.00 46.02 43.97 1o7m n GLY 666 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1o7m s GLU 667 N 4.15 4.35 0.00 1.61 2.02 -1.26 -0.05 118.70 129.52 1o7m s GLU 667 Ca 0.00 2.14 0.00 0.00 0.02 0.00 0.00 54.97 57.13 1o7m s GLU 667 Cb 0.00 -3.16 0.00 0.00 0.10 0.00 0.00 34.13 31.07 1o7m s GLU 667 CO 0.00 -0.31 0.00 0.41 0.02 0.00 0.00 175.26 175.38 1o7m n GLY 668 N 2.28 0.71 2.35 -1.39 0.00 -1.26 -3.28 105.19 104.60 1o7m n GLY 668 Ca 0.06 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.01 1o7m n GLY 668 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1o7m n GLY 669 N -2.51 0.89 3.74 -0.02 0.00 0.93 -5.00 105.19 103.21 1o7m n GLY 669 Ca 0.00 -0.40 -0.41 0.00 0.00 0.00 0.00 46.02 45.21 1o7m n GLY 669 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1o7m s VAL 670 N -2.12 4.54 0.07 1.61 1.01 -1.21 -4.54 120.40 119.76 1o7m s VAL 670 Ca 0.00 1.95 -0.31 0.00 0.00 0.00 0.00 61.98 63.62 1o7m s VAL 670 Cb 0.00 -4.26 -0.06 0.00 0.00 0.00 0.00 36.38 32.05 1o7m s VAL 670 CO 0.00 0.35 1.27 -0.13 0.00 0.00 0.00 175.10 176.59 1o7m s ARG 671 N -0.11 4.38 0.14 2.72 0.52 -1.26 0.63 118.95 125.97 1o7m s ARG 671 Ca 0.44 1.87 0.05 0.00 -0.52 0.00 0.00 55.73 57.57 1o7m s ARG 671 Cb -0.23 -3.35 -0.04 0.00 0.52 0.00 0.00 34.95 31.85 1o7m s ARG 671 CO 0.28 -0.35 -0.11 0.15 0.02 0.00 0.00 175.30 175.29 1o7m s LYS 672 N 1.24 1.04 -0.05 3.54 1.02 0.15 -4.85 119.74 121.83 1o7m s LYS 672 Ca 0.61 -1.37 -0.30 0.00 0.02 0.00 0.00 55.97 54.93 1o7m s LYS 672 Cb -0.32 -0.70 -0.04 0.00 -0.52 0.00 0.00 37.83 36.25 1o7m s LYS 672 CO 0.29 0.10 1.29 -1.17 -0.92 0.00 0.00 175.35 174.94 1o7m s LEU 673 N -2.91 4.28 -0.02 3.17 2.96 0.78 -0.69 118.68 126.25 1o7m s LEU 673 Ca 0.14 1.91 0.11 0.00 -0.22 0.00 0.00 54.13 56.07 1o7m s LEU 673 Cb -0.00 -3.56 -0.18 0.00 0.50 0.00 0.00 46.19 42.96 1o7m s LEU 673 CO 0.01 -0.66 0.24 1.33 -1.32 0.00 0.00 176.35 175.96 1o7m n VAL 674 N 4.75 0.02 -3.69 1.68 0.24 0.39 0.04 118.33 121.77 1o7m n VAL 674 Ca 0.12 -0.26 -0.11 0.00 -2.04 0.00 0.00 64.34 62.05 1o7m n VAL 674 Cb 0.45 0.22 -0.10 0.00 -1.47 0.00 0.00 33.84 32.94 1o7m n VAL 674 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 1o7m s GLN 675 N -2.78 0.50 -0.06 7.34 0.74 -0.90 -1.50 119.66 123.00 1o7m s GLN 675 Ca -0.04 0.84 0.03 0.00 0.05 0.00 0.00 55.36 56.23 1o7m s GLN 675 Cb 0.07 0.09 0.01 0.00 1.10 0.00 0.00 33.01 34.28 1o7m s GLN 675 CO 0.47 -0.13 -0.14 0.50 -0.55 0.00 0.00 175.29 175.44 1o7m s ARG 676 N 1.13 1.85 -0.09 1.67 3.52 -0.40 -0.58 118.95 126.05 1o7m s ARG 676 Ca -0.07 -0.50 0.02 0.00 -0.13 0.00 0.00 55.73 55.05 1o7m s ARG 676 Cb -0.06 -1.52 0.02 0.00 -1.56 0.00 0.00 34.95 31.83 1o7m s ARG 676 CO -0.10 0.09 -0.12 0.12 -0.81 0.00 0.00 175.30 174.47 1o7m s PHE 677 N 0.49 1.61 -0.05 5.12 5.36 0.00 -0.83 117.98 129.68 1o7m s PHE 677 Ca -0.13 -0.68 0.02 0.00 -0.96 0.00 0.00 56.93 55.17 1o7m s PHE 677 Cb -0.15 -1.20 0.02 0.00 -0.34 0.00 0.00 43.02 41.35 1o7m s PHE 677 CO 0.04 -0.38 -0.07 0.08 -1.46 0.00 0.00 175.22 173.43 1o7m s VAL 678 N 0.96 0.76 -0.52 3.12 1.01 -0.53 -1.10 120.40 124.10 1o7m s VAL 678 Ca -0.09 -0.26 -0.13 0.00 0.00 0.00 0.00 61.98 61.51 1o7m s VAL 678 Cb -0.15 -0.74 0.13 0.00 0.00 0.00 0.00 36.38 35.62 1o7m s VAL 678 CO -0.00 0.27 0.44 -0.62 0.00 0.00 0.00 175.10 175.19 1o7m s ASP 679 N 0.78 5.98 0.06 3.32 -1.08 -1.26 -0.67 116.67 123.79 1o7m s ASP 679 Ca -0.13 -1.88 -0.31 0.00 -0.52 0.00 0.00 52.55 49.72 1o7m s ASP 679 Cb -0.15 -2.12 -0.07 0.00 -1.46 0.00 0.00 42.92 39.12 1o7m s ASP 679 CO 0.02 -0.77 1.50 -0.47 0.52 0.00 0.00 175.17 175.97 1o7m s TYR 680 N 1.44 2.79 0.04 -5.34 5.04 -0.37 -4.82 117.35 116.13 1o7m s TYR 680 Ca 0.05 0.65 0.23 0.00 -2.44 0.00 0.00 57.07 55.56 1o7m s TYR 680 Cb -0.28 -3.80 0.77 0.00 0.35 0.00 0.00 41.96 39.00 1o7m s TYR 680 CO 0.01 -3.03 1.76 -1.00 -1.34 0.00 0.00 175.55 171.95 1o7m h PRO 681 N 7.73 0.00 -5.23 4.97 0.13 -1.90 -3.42 132.00 134.28 1o7m h PRO 681 Ca -0.41 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 64.10 1o7m h PRO 681 Cb 1.19 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.19 1o7m h PRO 681 CO 0.91 0.23 -0.16 -1.21 -0.23 0.00 0.00 178.00 177.54 1o7m s GLU 682 N -3.50 4.04 0.06 0.86 2.02 -1.26 -4.99 118.70 115.92 1o7m s GLU 682 Ca 0.02 0.14 -0.21 0.00 0.02 0.00 0.00 54.97 54.94 1o7m s GLU 682 Cb 0.09 -3.65 -0.12 0.00 0.10 0.00 0.00 34.13 30.55 1o7m s GLU 682 CO 0.65 -0.29 1.46 -0.09 0.02 0.00 0.00 175.26 177.00 1o7m h ARG 683 N 8.09 0.31 -4.74 1.61 9.65 -1.92 -3.40 114.38 123.99 1o7m h ARG 683 Ca -0.31 -0.11 -0.68 0.00 -1.10 0.00 0.00 59.98 57.78 1o7m h ARG 683 Cb 1.16 -0.02 -0.22 0.00 -1.39 0.00 0.00 29.97 29.49 1o7m h ARG 683 CO 0.67 0.57 -0.54 0.42 2.80 0.00 0.00 179.97 183.89 1o7m s ILE 684 N -4.81 4.66 0.25 1.20 1.01 -1.26 -5.00 121.20 117.25 1o7m s ILE 684 Ca -0.14 -0.48 -0.30 0.00 0.00 0.00 0.00 60.65 59.73 1o7m s ILE 684 Cb 0.06 -3.42 -0.09 0.00 0.01 0.00 0.00 42.46 39.02 1o7m s ILE 684 CO 0.73 0.01 1.25 -0.76 0.00 0.00 0.00 174.94 176.17 1o7m s LEU 685 N 1.61 4.45 -0.25 2.97 1.43 -1.26 -4.92 118.68 122.71 1o7m s LEU 685 Ca 0.04 2.44 0.10 0.00 -1.03 0.00 0.00 54.13 55.68 1o7m s LEU 685 Cb -0.17 -3.62 0.45 0.00 0.03 0.00 0.00 46.19 42.87 1o7m s LEU 685 CO 0.07 -0.43 1.30 0.00 0.23 0.00 0.00 176.35 177.52 1o7m n GLN 686 N 1.78 1.88 -0.11 1.70 1.13 -1.26 -4.64 117.38 117.86 1o7m n GLN 686 Ca 0.03 -3.36 0.09 0.00 -1.94 0.00 0.00 57.00 51.82 1o7m n GLN 686 Cb 0.43 -1.76 0.13 0.00 0.11 0.00 0.00 30.24 29.16 1o7m n GLN 686 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 1o7m n THR 687 N -1.08 1.77 0.00 5.09 -2.24 -1.26 -4.98 114.28 111.58 1o7m n THR 687 Ca 0.27 -2.14 0.00 0.00 -2.27 0.00 0.00 64.05 59.91 1o7m n THR 687 Cb 0.83 -0.19 0.00 0.00 -2.10 0.00 0.00 70.33 68.87 1o7m n THR 687 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1o7m n HIS 688 N -1.34 0.00 -3.92 4.78 8.25 -1.26 -4.77 115.22 116.96 1o7m n HIS 688 Ca 0.15 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.59 1o7m n HIS 688 Cb 0.65 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.78 1o7m n HIS 688 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1o7m s ASN 689 N 0.00 0.02 -0.32 0.41 2.20 -1.26 -5.03 114.94 110.95 1o7m s ASN 689 Ca 0.00 -0.62 0.07 0.00 -0.94 0.00 0.00 52.86 51.37 1o7m s ASN 689 Cb 0.00 0.44 0.47 0.00 -2.00 0.00 0.00 41.25 40.16 1o7m s ASN 689 CO 0.00 -0.89 1.38 -0.11 -2.94 0.00 0.00 177.10 174.54 1o7m n LEU 690 N -0.76 4.60 -2.57 3.54 0.00 -1.26 -4.91 117.00 115.63 1o7m n LEU 690 Ca -0.01 -4.26 -0.24 0.00 0.00 0.00 0.00 56.01 51.50 1o7m n LEU 690 Cb 0.59 -0.54 -0.10 0.00 0.00 0.00 0.00 43.42 43.37 1o7m n LEU 690 CO 0.21 1.66 2.25 0.23 0.00 0.00 0.00 177.39 181.73 1o7m n MET 691 N -0.94 2.77 -4.09 1.96 2.81 -1.26 -4.79 117.12 113.59 1o7m n MET 691 Ca 0.38 -1.70 -0.14 0.00 -1.81 0.00 0.00 57.70 54.44 1o7m n MET 691 Cb 0.90 -2.32 -0.11 0.00 -0.71 0.00 0.00 33.22 30.99 1o7m n MET 691 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 1o7m s VAL 692 N 0.88 0.67 -0.52 2.03 -7.23 -1.26 -5.11 120.40 109.86 1o7m s VAL 692 Ca 0.66 -1.17 -0.22 0.00 -1.81 0.00 0.00 61.98 59.44 1o7m s VAL 692 Cb 0.27 -0.76 0.04 0.00 0.56 0.00 0.00 36.38 36.50 1o7m s VAL 692 CO -0.05 -0.37 0.81 -0.36 -0.31 0.00 0.00 175.10 174.82 1o7m s PHE 693 N -1.47 2.91 -2.00 2.82 2.99 -1.26 -5.16 117.98 116.81 1o7m s PHE 693 Ca -0.07 -0.14 0.23 0.00 0.00 0.00 0.00 56.93 56.95 1o7m s PHE 693 Cb -0.09 -3.83 1.37 0.00 0.00 0.00 0.00 43.02 40.47 1o7m s PHE 693 CO 0.01 -1.18 1.74 1.28 -0.00 0.00 0.00 175.22 177.06