#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1o7g s ILE 503 N 0.00 2.80 -0.32 3.17 1.01 -1.26 -5.03 121.20 121.58 1o7g s ILE 503 Ca 0.00 0.47 -0.09 0.00 0.00 0.00 0.00 60.65 61.03 1o7g s ILE 503 Cb 0.00 -3.30 0.00 0.00 0.01 0.00 0.00 42.46 39.17 1o7g s ILE 503 CO 0.00 0.02 0.14 0.21 0.00 0.00 0.00 174.94 175.31 1o7g s ASN 504 N 1.65 5.44 0.00 3.58 3.84 -1.26 -4.97 114.94 123.22 1o7g s ASN 504 Ca 0.71 -0.66 0.27 0.00 0.21 0.00 0.00 52.86 53.40 1o7g s ASN 504 Cb -0.42 -1.97 1.21 0.00 -0.55 0.00 0.00 41.25 39.53 1o7g s ASN 504 CO 0.32 -0.22 1.89 2.30 -2.79 0.00 0.00 177.10 178.59 1o7g n ILE 505 N 4.94 0.12 -0.01 -5.21 -5.35 -1.26 -1.17 119.36 111.43 1o7g n ILE 505 Ca -0.14 0.03 -0.12 0.00 -0.27 0.00 0.00 62.75 62.26 1o7g n ILE 505 Cb 0.48 -0.56 0.01 0.00 -1.74 0.00 0.00 39.64 37.83 1o7g n ILE 505 CO 0.00 0.00 0.00 1.56 -1.76 0.00 0.00 176.55 176.35 1o7g h GLN 506 N 0.00 0.63 0.06 6.28 7.50 -1.93 -3.33 115.11 124.31 1o7g h GLN 506 Ca 0.00 -0.43 -0.19 0.00 0.50 0.00 0.00 58.65 58.53 1o7g h GLN 506 Cb 0.42 0.06 -0.01 0.00 0.05 0.00 0.00 27.48 28.01 1o7g h GLN 506 CO 0.00 1.05 -0.95 0.93 -1.50 0.00 0.00 178.83 178.36 1o7g h GLU 507 N 0.47 0.13 -4.85 1.46 5.08 -1.86 -3.40 114.58 111.60 1o7g h GLU 507 Ca -0.01 -0.22 -0.73 0.00 -1.00 0.00 0.00 59.36 57.40 1o7g h GLU 507 Cb 1.19 0.08 -0.17 0.00 0.50 0.00 0.00 28.75 30.35 1o7g h GLU 507 CO 0.12 1.11 1.40 0.34 -1.00 0.00 0.00 179.01 180.98 1o7g s ASP 508 N -6.78 7.04 0.60 1.42 3.68 -0.32 -4.84 116.67 117.47 1o7g s ASP 508 Ca -0.21 -2.91 0.35 0.00 2.13 0.00 0.00 52.55 51.90 1o7g s ASP 508 Cb 0.02 -2.42 1.95 0.00 -1.45 0.00 0.00 42.92 41.03 1o7g s ASP 508 CO 0.71 -0.79 2.26 0.11 0.13 0.00 0.00 175.17 177.59 1o7g h LYS 509 N 7.26 0.00 -0.00 4.34 1.57 -1.78 -2.24 116.57 125.71 1o7g h LYS 509 Ca 0.32 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.10 1o7g h LYS 509 Cb 0.88 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.19 1o7g h LYS 509 CO 1.26 0.02 -0.33 1.28 -0.57 0.00 0.00 179.45 181.11 1o7g n LEU 510 N -3.53 0.80 -4.72 2.94 4.77 -1.26 -4.91 117.00 111.09 1o7g n LEU 510 Ca -0.03 -0.15 -0.38 0.00 -0.03 0.00 0.00 56.01 55.42 1o7g n LEU 510 Cb 0.11 -0.17 -0.06 0.00 -2.33 0.00 0.00 43.42 40.97 1o7g n LEU 510 CO 0.25 0.16 0.23 -0.69 -1.33 0.00 0.00 177.39 176.01 1o7g s VAL 511 N -2.68 5.14 0.49 4.08 1.01 -0.84 -5.06 120.40 122.54 1o7g s VAL 511 Ca 0.20 1.08 -0.14 0.00 0.00 0.00 0.00 61.98 63.12 1o7g s VAL 511 Cb 0.19 -3.87 -0.07 0.00 0.00 0.00 0.00 36.38 32.62 1o7g s VAL 511 CO 0.58 0.32 0.93 -0.94 0.00 0.00 0.00 175.10 175.98 1o7g s SER 512 N 0.60 6.57 0.24 3.32 1.04 -1.26 -4.88 113.70 119.32 1o7g s SER 512 Ca 0.29 1.43 -0.07 0.00 0.48 0.00 0.00 55.95 58.08 1o7g s SER 512 Cb -0.16 -2.45 0.26 0.00 0.10 0.00 0.00 66.02 63.77 1o7g s SER 512 CO 0.12 -0.55 1.88 0.00 0.98 0.00 0.00 173.24 175.68 1o7g h ALA 513 N 0.94 1.15 -0.25 5.32 0.00 -1.99 -0.87 119.26 123.56 1o7g h ALA 513 Ca -0.47 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.42 1o7g h ALA 513 Cb 1.19 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 1o7g h ALA 513 CO 0.62 0.42 0.11 1.25 0.00 0.00 0.00 179.25 181.65 1o7g h HIS 514 N 1.11 0.20 -0.51 0.00 -0.00 -2.00 -1.23 115.15 112.72 1o7g h HIS 514 Ca 0.35 0.01 -0.08 0.00 -0.00 0.00 0.00 60.37 60.65 1o7g h HIS 514 Cb -0.01 -0.05 -0.02 0.00 -0.00 0.00 0.00 27.41 27.33 1o7g h HIS 514 CO -0.02 0.11 -0.01 -0.44 -0.00 0.00 0.00 177.93 177.57 1o7g h ASP 515 N 0.24 0.83 -0.70 3.26 3.45 -1.75 -1.86 116.42 119.88 1o7g h ASP 515 Ca 0.10 -0.21 -0.05 0.00 0.43 0.00 0.00 57.03 57.30 1o7g h ASP 515 Cb 0.04 -0.22 -0.03 0.00 -0.56 0.00 0.00 39.33 38.56 1o7g h ASP 515 CO -0.08 0.90 0.25 0.00 -1.57 0.00 0.00 179.24 178.74 1o7g h ALA 516 N 1.19 1.09 -0.48 3.45 0.00 -0.87 -2.20 119.26 121.44 1o7g h ALA 516 Ca 0.15 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 1o7g h ALA 516 Cb 0.49 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1o7g h ALA 516 CO 0.02 0.63 0.11 0.93 0.00 0.00 0.00 179.25 180.94 1o7g h GLU 517 N 1.05 0.78 -0.45 0.00 5.08 -0.79 -2.88 114.58 117.37 1o7g h GLU 517 Ca 0.24 -0.19 -0.10 0.00 -1.00 0.00 0.00 59.36 58.30 1o7g h GLU 517 Cb 0.25 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 1o7g h GLU 517 CO -0.01 0.76 -0.13 0.93 -1.00 0.00 0.00 179.01 179.56 1o7g h GLU 518 N 0.66 0.83 -0.26 2.33 4.39 -1.14 -2.80 114.58 118.59 1o7g h GLU 518 Ca 0.15 -0.29 0.05 0.00 0.34 0.00 0.00 59.36 59.60 1o7g h GLU 518 Cb 0.34 -0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 28.89 1o7g h GLU 518 CO 0.00 0.91 -0.02 0.82 -1.16 0.00 0.00 179.01 179.57 1o7g h ILE 519 N 0.74 0.79 -0.89 3.13 1.08 -1.33 -2.77 117.51 118.26 1o7g h ILE 519 Ca 0.12 -0.02 0.19 0.00 -0.39 0.00 0.00 64.86 64.76 1o7g h ILE 519 Cb 0.64 0.74 -0.07 0.00 -3.07 0.00 0.00 36.82 35.06 1o7g h ILE 519 CO 0.04 0.01 0.59 0.25 -0.69 0.00 0.00 178.15 178.35 1o7g h LEU 520 N 0.05 0.45 -1.67 1.44 5.85 -1.27 -0.23 115.31 119.93 1o7g h LEU 520 Ca 0.12 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.86 1o7g h LEU 520 Cb 0.17 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 1o7g h LEU 520 CO -0.22 0.19 -0.03 0.03 -0.34 0.00 0.00 178.44 178.07 1o7g h ARG 521 N 0.46 0.17 0.00 1.25 3.08 -1.49 -3.23 114.38 114.62 1o7g h ARG 521 Ca 0.46 -0.02 -0.05 0.00 0.07 0.00 0.00 59.98 60.44 1o7g h ARG 521 Cb 1.07 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 31.08 1o7g h ARG 521 CO -0.18 0.22 -1.89 1.19 -1.07 0.00 0.00 179.97 178.24 1o7g n PHE 522 N -4.40 0.17 0.13 3.04 3.72 -0.12 -4.32 117.46 115.68 1o7g n PHE 522 Ca -0.01 0.05 0.01 0.00 -0.05 0.00 0.00 57.45 57.45 1o7g n PHE 522 Cb 0.17 -0.64 0.01 0.00 -0.94 0.00 0.00 39.48 38.08 1o7g n PHE 522 CO 0.00 0.00 0.00 0.74 -0.05 0.00 0.00 176.76 177.45 1o7g h PHE 523 N 0.00 0.00 0.00 1.38 -1.00 -1.53 -3.43 116.94 112.37 1o7g h PHE 523 Ca -0.07 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.71 1o7g h PHE 523 Cb 1.16 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.72 1o7g h PHE 523 CO 0.00 0.56 0.00 0.09 -1.61 0.00 0.00 178.31 177.35 1o7g n ASN 524 N -3.24 0.00 -4.56 2.17 3.02 -1.24 -4.74 115.26 106.66 1o7g n ASN 524 Ca 0.02 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.16 1o7g n ASN 524 Cb 0.76 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.90 1o7g n ASN 524 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1o7g s HIS 526 N 6.87 3.35 -0.27 0.00 2.46 -1.26 -4.89 115.29 121.55 1o7g s HIS 526 Ca 0.53 0.46 0.02 0.00 0.47 0.00 0.00 55.06 56.55 1o7g s HIS 526 Cb -0.11 -2.43 0.07 0.00 -0.13 0.00 0.00 32.58 29.98 1o7g s HIS 526 CO 0.22 0.01 -0.04 0.34 -2.47 0.00 0.00 174.74 172.80 1o7g s ASP 527 N 1.06 4.25 0.51 9.88 2.15 -1.26 -4.99 116.67 128.27 1o7g s ASP 527 Ca 0.15 -1.49 0.23 0.00 0.43 0.00 0.00 52.55 51.87 1o7g s ASP 527 Cb -0.14 -1.37 1.34 0.00 -0.30 0.00 0.00 42.92 42.45 1o7g s ASP 527 CO 0.07 -0.26 1.99 0.28 -0.17 0.00 0.00 175.17 177.08 1o7g h SER 528 N 7.83 0.06 -0.23 -0.34 0.02 -1.97 -1.43 113.55 117.49 1o7g h SER 528 Ca -0.15 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 60.65 1o7g h SER 528 Cb 1.05 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 63.57 1o7g h SER 528 CO 0.45 0.03 -0.43 0.00 -1.14 0.00 0.00 176.83 175.75 1o7g h ALA 529 N 1.74 0.65 -0.18 3.77 0.00 -2.00 -2.04 119.26 121.20 1o7g h ALA 529 Ca 0.25 -0.47 -0.09 0.00 0.00 0.00 0.00 54.91 54.60 1o7g h ALA 529 Cb 0.92 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1o7g h ALA 529 CO -0.02 0.67 -0.30 1.25 0.00 0.00 0.00 179.25 180.85 1o7g h LEU 530 N 0.64 0.35 -0.56 0.00 5.85 -1.66 -2.00 115.31 117.92 1o7g h LEU 530 Ca 0.04 -0.12 -0.10 0.00 0.84 0.00 0.00 57.88 58.54 1o7g h LEU 530 Cb 1.00 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.91 1o7g h LEU 530 CO 0.10 0.64 -0.06 -0.61 -0.34 0.00 0.00 178.44 178.16 1o7g h GLN 531 N 0.30 1.03 -0.51 1.25 -0.00 -1.06 -0.83 115.11 115.29 1o7g h GLN 531 Ca 0.04 -0.36 -0.06 0.00 -0.00 0.00 0.00 58.65 58.27 1o7g h GLN 531 Cb 0.68 -0.08 -0.02 0.00 0.00 0.00 0.00 27.48 28.07 1o7g h GLN 531 CO 0.05 1.05 0.08 1.96 0.00 0.00 0.00 178.83 181.96 1o7g h GLN 532 N 0.91 0.84 -0.66 1.69 7.50 -1.16 -0.34 115.11 123.89 1o7g h GLN 532 Ca 0.15 -0.23 -0.03 0.00 0.50 0.00 0.00 58.65 59.04 1o7g h GLN 532 Cb 0.62 -0.10 -0.03 0.00 0.05 0.00 0.00 27.48 28.03 1o7g h GLN 532 CO 0.04 0.84 0.29 1.49 -1.50 0.00 0.00 178.83 179.99 1o7g h GLU 533 N 0.72 0.96 -0.59 1.46 4.81 -1.20 -1.60 114.58 119.14 1o7g h GLU 533 Ca 0.15 -0.16 -0.08 0.00 -0.13 0.00 0.00 59.36 59.15 1o7g h GLU 533 Cb 0.41 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.60 1o7g h GLU 533 CO 0.01 0.78 0.07 0.00 -0.73 0.00 0.00 179.01 179.14 1o7g h ALA 534 N 1.13 0.78 -0.47 2.92 0.00 -0.92 -0.62 119.26 122.09 1o7g h ALA 534 Ca 0.22 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1o7g h ALA 534 Cb 0.16 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1o7g h ALA 534 CO -0.02 0.56 0.29 1.15 0.00 0.00 0.00 179.25 181.23 1o7g h THR 535 N 0.89 1.14 -0.26 0.00 2.02 -0.75 -1.29 112.91 114.66 1o7g h THR 535 Ca 0.17 -0.28 -0.00 0.00 0.77 0.00 0.00 66.41 67.07 1o7g h THR 535 Cb 0.46 0.48 -0.01 0.00 -1.74 0.00 0.00 68.15 67.34 1o7g h THR 535 CO 0.02 0.13 0.16 0.74 0.37 0.00 0.00 175.52 176.94 1o7g h THR 536 N 0.63 1.09 -0.53 3.16 2.02 -0.95 0.26 112.91 118.58 1o7g h THR 536 Ca 0.17 -0.21 0.06 0.00 0.77 0.00 0.00 66.41 67.20 1o7g h THR 536 Cb -0.03 0.77 -0.05 0.00 -1.74 0.00 0.00 68.15 67.09 1o7g h THR 536 CO -0.03 0.09 0.24 -0.07 0.37 0.00 0.00 175.52 176.11 1o7g h LEU 537 N 0.32 0.30 -0.22 2.58 4.07 -0.85 -0.22 115.31 121.30 1o7g h LEU 537 Ca 0.09 0.05 -0.21 0.00 0.08 0.00 0.00 57.88 57.89 1o7g h LEU 537 Cb 0.01 -0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.74 1o7g h LEU 537 CO -0.02 0.20 -0.92 -0.07 -1.08 0.00 0.00 178.44 176.56 1o7g h LEU 538 N 0.45 0.35 -0.59 1.67 3.38 -1.01 -1.50 115.31 118.07 1o7g h LEU 538 Ca 0.25 -0.29 -0.12 0.00 0.09 0.00 0.00 57.88 57.81 1o7g h LEU 538 Cb 0.21 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 1o7g h LEU 538 CO -0.21 1.10 -0.16 0.74 0.09 0.00 0.00 178.44 180.00 1o7g h THR 539 N 0.15 1.27 -0.50 0.22 2.02 -0.59 -1.18 112.91 114.29 1o7g h THR 539 Ca -0.06 -1.31 -0.08 0.00 0.77 0.00 0.00 66.41 65.73 1o7g h THR 539 Cb 1.56 1.07 -0.02 0.00 -1.74 0.00 0.00 68.15 69.02 1o7g h THR 539 CO 0.15 0.45 -0.01 1.56 0.37 0.00 0.00 175.52 178.04 1o7g h GLN 540 N 0.83 0.88 -0.30 6.66 4.20 -0.97 -1.62 115.11 124.79 1o7g h GLN 540 Ca 0.12 -0.29 0.01 0.00 0.06 0.00 0.00 58.65 58.56 1o7g h GLN 540 Cb 0.72 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.40 1o7g h GLN 540 CO 0.06 0.92 0.17 1.49 -0.67 0.00 0.00 178.83 180.80 1o7g h GLU 541 N 0.75 0.34 -0.11 1.46 4.81 -1.16 -1.69 114.58 118.98 1o7g h GLU 541 Ca 0.14 -0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 59.25 1o7g h GLU 541 Cb 0.53 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.82 1o7g h GLU 541 CO 0.03 0.23 -0.37 0.00 -0.73 0.00 0.00 179.01 178.16 1o7g h ALA 542 N 1.14 1.18 -0.25 2.92 0.00 -1.01 -1.62 119.26 121.61 1o7g h ALA 542 Ca 0.12 -0.38 -0.03 0.00 0.00 0.00 0.00 54.91 54.62 1o7g h ALA 542 Cb 0.01 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1o7g h ALA 542 CO -0.06 0.55 0.03 1.25 0.00 0.00 0.00 179.25 181.02 1o7g h HIS 543 N 0.19 0.46 -0.37 0.00 -0.00 -0.97 0.95 115.15 115.41 1o7g h HIS 543 Ca 0.02 -0.07 0.01 0.00 -0.00 0.00 0.00 60.37 60.33 1o7g h HIS 543 Cb 0.75 -0.12 -0.02 0.00 -0.00 0.00 0.00 27.41 28.01 1o7g h HIS 543 CO 0.01 0.56 0.23 -0.07 -0.00 0.00 0.00 177.93 178.66 1o7g h LEU 544 N 0.23 0.40 -0.88 0.26 3.38 -1.04 -1.90 115.31 115.75 1o7g h LEU 544 Ca 0.08 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.97 1o7g h LEU 544 Cb 0.35 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 1o7g h LEU 544 CO 0.01 0.29 0.07 -0.07 0.09 0.00 0.00 178.44 178.82 1o7g h LEU 545 N 0.48 0.86 -1.07 1.67 3.38 -1.14 -0.77 115.31 118.71 1o7g h LEU 545 Ca 0.14 -0.19 -0.10 0.00 0.09 0.00 0.00 57.88 57.82 1o7g h LEU 545 Cb -0.03 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 1o7g h LEU 545 CO -0.04 0.88 -0.46 0.44 0.09 0.00 0.00 178.44 179.35 1o7g h ASP 546 N 0.85 0.01 -0.15 -0.43 3.32 -0.26 -1.11 116.42 118.67 1o7g h ASP 546 Ca 0.17 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.22 1o7g h ASP 546 Cb 0.41 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.95 1o7g h ASP 546 CO 0.01 0.47 0.00 2.30 -1.72 0.00 0.00 179.24 180.30 1o7g n ILE 547 N -4.00 0.18 -2.41 0.35 -5.35 -0.77 -4.33 119.36 103.04 1o7g n ILE 547 Ca -0.02 -0.35 -0.13 0.00 -0.27 0.00 0.00 62.75 61.98 1o7g n ILE 547 Cb 0.48 0.44 0.00 0.00 -1.74 0.00 0.00 39.64 38.82 1o7g n ILE 547 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1o7g n GLN 548 N 0.36 -1.71 -1.78 6.28 6.02 -0.42 -4.92 117.38 121.21 1o7g n GLN 548 Ca 0.17 0.59 -0.40 0.00 -0.01 0.00 0.00 57.00 57.35 1o7g n GLN 548 Cb 0.35 -4.77 -0.01 0.00 1.02 0.00 0.00 30.24 26.83 1o7g n GLN 548 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1o7g n ALA 549 N -2.06 6.74 0.03 -1.58 0.00 -0.33 -4.75 120.51 118.56 1o7g n ALA 549 Ca -0.12 -3.90 -0.01 0.00 0.00 0.00 0.00 53.44 49.41 1o7g n ALA 549 Cb 0.60 -3.09 0.29 0.00 0.00 0.00 0.00 19.45 17.24 1o7g n ALA 549 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 1o7g h TYR 550 N 5.05 0.48 -0.35 0.00 0.99 -1.91 0.18 116.97 121.40 1o7g h TYR 550 Ca 0.71 -0.06 -0.06 0.00 2.00 0.00 0.00 58.73 61.31 1o7g h TYR 550 Cb 0.38 -0.13 -0.01 0.00 1.00 0.00 0.00 36.73 37.96 1o7g h TYR 550 CO 1.64 0.55 -0.01 0.00 -0.00 0.00 0.00 178.16 180.34 1o7g h ARG 551 N 0.42 0.63 -0.96 4.88 3.08 -1.94 -1.68 114.38 118.81 1o7g h ARG 551 Ca 0.08 -0.20 0.02 0.00 0.07 0.00 0.00 59.98 59.95 1o7g h ARG 551 Cb 0.44 -0.05 -0.05 0.00 0.08 0.00 0.00 29.97 30.39 1o7g h ARG 551 CO 0.02 0.75 0.63 0.00 -1.07 0.00 0.00 179.97 180.31 1o7g h ALA 552 N 0.86 1.35 0.01 0.04 0.00 -1.86 -0.58 119.26 119.09 1o7g h ALA 552 Ca 0.10 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1o7g h ALA 552 Cb 0.47 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1o7g h ALA 552 CO 0.02 0.58 -0.01 2.35 0.00 0.00 0.00 179.25 182.19 1o7g h TRP 553 N 1.26 -0.02 -0.89 0.00 7.01 -0.66 -0.02 115.95 122.63 1o7g h TRP 553 Ca 0.37 -0.00 0.03 0.00 2.11 0.00 0.00 58.89 61.40 1o7g h TRP 553 Cb -0.07 0.01 -0.05 0.00 -2.10 0.00 0.00 29.16 26.94 1o7g h TRP 553 CO -0.00 0.00 0.58 -0.07 -2.79 0.00 0.00 178.44 176.16 1o7g h LEU 554 N -0.03 0.96 -0.38 0.65 3.38 -0.88 0.99 115.31 120.01 1o7g h LEU 554 Ca -0.00 -0.01 -0.19 0.00 0.09 0.00 0.00 57.88 57.77 1o7g h LEU 554 Cb 0.02 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.55 1o7g h LEU 554 CO 0.00 0.66 -0.70 -0.33 0.09 0.00 0.00 178.44 178.16 1o7g h GLU 555 N 1.13 0.52 0.00 1.13 5.08 -0.79 -3.14 114.58 118.51 1o7g h GLU 555 Ca 0.35 -0.40 -0.17 0.00 -1.00 0.00 0.00 59.36 58.15 1o7g h GLU 555 Cb -0.00 0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.29 1o7g h GLU 555 CO -0.12 1.03 -2.03 1.58 -1.00 0.00 0.00 179.01 178.47 1o7g n HIS 556 N -3.88 0.00 0.06 4.33 -0.00 -0.05 -4.72 115.22 110.96 1o7g n HIS 556 Ca -0.05 0.00 0.02 0.00 0.46 0.00 0.00 57.72 58.16 1o7g n HIS 556 Cb 0.69 -0.65 -0.03 0.00 -0.12 0.00 0.00 29.99 29.88 1o7g n HIS 556 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1o7g s VAL 558 N -2.06 2.93 0.44 0.00 1.01 -1.14 -0.16 120.40 121.43 1o7g s VAL 558 Ca -0.01 -0.68 -0.20 0.00 0.00 0.00 0.00 61.98 61.09 1o7g s VAL 558 Cb 0.03 -2.26 -0.10 0.00 0.00 0.00 0.00 36.38 34.05 1o7g s VAL 558 CO 0.19 0.50 0.96 -0.83 0.00 0.00 0.00 175.10 175.92 1o7g s GLY 559 N 0.81 2.36 0.54 4.51 0.00 0.41 -4.77 107.32 111.18 1o7g s GLY 559 Ca -0.04 0.38 0.21 0.00 0.00 0.00 0.00 44.72 45.28 1o7g s GLY 559 CO 0.00 0.67 2.11 1.48 0.00 0.00 0.00 173.10 177.36 1o7g h SER 560 N 1.77 0.00 -0.45 1.64 4.64 -1.95 -2.14 113.55 117.06 1o7g h SER 560 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 1o7g h SER 560 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1o7g h SER 560 CO 0.61 0.00 0.00 -1.84 -0.87 0.00 0.00 176.83 174.73 1o7g n GLU 561 N -4.34 3.89 -1.74 4.77 0.00 -1.26 -4.45 120.64 117.52 1o7g n GLU 561 Ca 0.01 -2.40 -0.39 0.00 0.00 0.00 0.00 57.16 54.38 1o7g n GLU 561 Cb 0.26 -2.05 0.03 0.00 0.00 0.00 0.00 31.44 29.68 1o7g n GLU 561 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.13 178.68 1o7g n VAL 562 N 0.53 3.40 -4.09 3.84 3.14 -0.81 -4.88 118.33 119.47 1o7g n VAL 562 Ca 0.21 -0.50 -0.33 0.00 -2.96 0.00 0.00 64.34 60.76 1o7g n VAL 562 Cb 0.95 -1.69 -0.16 0.00 -1.06 0.00 0.00 33.84 31.88 1o7g n VAL 562 CO 0.00 0.00 0.00 -1.58 -6.46 0.00 0.00 176.83 168.79 1o7g s GLN 563 N -2.68 2.81 -0.34 1.45 0.74 -0.73 -4.09 119.66 116.81 1o7g s GLN 563 Ca 0.68 -0.96 -0.03 0.00 0.05 0.00 0.00 55.36 55.09 1o7g s GLN 563 Cb -0.44 -2.69 0.06 0.00 1.10 0.00 0.00 33.01 31.05 1o7g s GLN 563 CO 0.52 -0.31 0.09 -0.47 -0.55 0.00 0.00 175.29 174.57 1o7g s TYR 564 N 1.25 3.35 -0.07 1.67 5.04 -0.21 -1.03 117.35 127.35 1o7g s TYR 564 Ca 0.01 -1.89 0.02 0.00 -2.44 0.00 0.00 57.07 52.78 1o7g s TYR 564 Cb -0.15 -2.47 0.02 0.00 0.35 0.00 0.00 41.96 39.71 1o7g s TYR 564 CO -0.10 -0.83 -0.10 -1.14 -1.34 0.00 0.00 175.55 172.04 1o7g s GLN 565 N 1.27 1.52 -0.12 4.97 0.74 0.26 -0.66 119.66 127.63 1o7g s GLN 565 Ca -0.01 -0.34 -0.00 0.00 0.05 0.00 0.00 55.36 55.06 1o7g s GLN 565 Cb -0.21 -1.31 0.02 0.00 1.10 0.00 0.00 33.01 32.62 1o7g s GLN 565 CO -0.01 -0.02 -0.08 0.08 -0.55 0.00 0.00 175.29 174.71 1o7g s VAL 566 N 0.80 1.06 0.21 1.34 1.01 -0.19 -1.34 120.40 123.31 1o7g s VAL 566 Ca -0.12 -0.31 0.07 0.00 0.00 0.00 0.00 61.98 61.62 1o7g s VAL 566 Cb -0.15 -1.07 -0.04 0.00 0.00 0.00 0.00 36.38 35.11 1o7g s VAL 566 CO 0.02 0.37 0.09 0.27 0.00 0.00 0.00 175.10 175.86 1o7g s ILE 567 N 1.69 4.07 -0.20 2.22 -4.36 0.11 -0.25 121.20 124.47 1o7g s ILE 567 Ca 0.05 -1.44 0.01 0.00 -0.26 0.00 0.00 60.65 59.01 1o7g s ILE 567 Cb -0.13 -3.13 0.04 0.00 1.25 0.00 0.00 42.46 40.50 1o7g s ILE 567 CO -0.08 -0.24 -0.11 -0.55 0.24 0.00 0.00 174.94 174.20 1o7g s SER 568 N -3.41 3.43 -0.08 4.36 0.15 -0.51 -1.04 113.70 116.60 1o7g s SER 568 Ca 0.31 -0.90 -0.17 0.00 0.70 0.00 0.00 55.95 55.89 1o7g s SER 568 Cb -0.08 -1.25 -0.05 0.00 -1.71 0.00 0.00 66.02 62.93 1o7g s SER 568 CO 0.22 -0.14 0.45 -0.60 1.20 0.00 0.00 173.24 174.37 1o7g s ARG 569 N 1.38 4.22 0.36 5.44 3.52 -1.26 -1.56 118.95 131.06 1o7g s ARG 569 Ca -0.01 0.44 -0.28 0.00 -0.13 0.00 0.00 55.73 55.75 1o7g s ARG 569 Cb -0.16 -3.37 -0.10 0.00 -1.56 0.00 0.00 34.95 29.76 1o7g s ARG 569 CO -0.08 0.33 1.31 -2.00 -0.81 0.00 0.00 175.30 174.05 1o7g s GLU 570 N 0.07 4.19 -0.16 5.12 2.12 -0.41 -4.94 118.70 124.69 1o7g s GLU 570 Ca 0.25 2.20 -0.29 0.00 0.36 0.00 0.00 54.97 57.49 1o7g s GLU 570 Cb -0.16 -2.94 -0.01 0.00 0.26 0.00 0.00 34.13 31.28 1o7g s GLU 570 CO 0.11 -0.32 1.25 -0.51 -0.54 0.00 0.00 175.26 175.25 1o7g s LEU 571 N -2.06 4.18 0.19 2.70 1.02 -1.26 -5.00 118.68 118.45 1o7g s LEU 571 Ca 0.52 1.68 0.07 0.00 0.02 0.00 0.00 54.13 56.42 1o7g s LEU 571 Cb -0.39 -3.54 -0.05 0.00 0.02 0.00 0.00 46.19 42.23 1o7g s LEU 571 CO 0.52 -0.75 -0.13 -0.13 0.02 0.00 0.00 176.35 175.88 1o7g s ARG 572 N 3.43 1.27 0.38 1.70 1.81 -1.26 -5.12 118.95 121.16 1o7g s ARG 572 Ca 0.54 -1.56 -0.27 0.00 -1.72 0.00 0.00 55.73 52.72 1o7g s ARG 572 Cb -0.21 -0.98 -0.09 0.00 -0.45 0.00 0.00 34.95 33.22 1o7g s ARG 572 CO 0.14 0.14 1.27 0.00 -0.68 0.00 0.00 175.30 176.18 1o7g s ALA 573 N -3.08 3.31 0.47 2.13 0.00 -1.26 -4.88 121.76 118.45 1o7g s ALA 573 Ca 0.21 1.18 0.13 0.00 0.00 0.00 0.00 51.96 53.48 1o7g s ALA 573 Cb 0.00 -3.46 1.08 0.00 0.00 0.00 0.00 23.12 20.75 1o7g s ALA 573 CO 0.05 -0.70 2.09 0.00 0.00 0.00 0.00 175.76 177.20 1o7g h ALA 574 N 2.90 1.91 -0.42 0.00 0.00 -2.03 -1.14 119.26 120.47 1o7g h ALA 574 Ca -0.49 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1o7g h ALA 574 Cb 1.24 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1o7g h ALA 574 CO 0.63 0.06 0.00 -1.13 0.00 0.00 0.00 179.25 178.81 1o7g n SER 575 N -4.50 2.42 -4.76 0.00 3.41 -1.26 -4.95 113.62 103.98 1o7g n SER 575 Ca 0.02 -1.96 -0.41 0.00 -0.26 0.00 0.00 58.87 56.25 1o7g n SER 575 Cb 0.14 -0.28 -0.02 0.00 -0.26 0.00 0.00 64.21 63.78 1o7g n SER 575 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1o7g s GLU 576 N -1.44 4.36 0.00 4.33 2.56 -0.43 -4.89 118.70 123.19 1o7g s GLU 576 Ca 0.31 2.18 0.00 0.00 0.00 0.00 0.00 54.97 57.47 1o7g s GLU 576 Cb 0.17 -3.10 0.00 0.00 2.00 0.00 0.00 34.13 33.19 1o7g s GLU 576 CO 0.22 -0.22 0.00 2.89 -0.56 0.00 0.00 175.26 177.59 1o7g n ARG 577 N 1.41 4.45 -0.13 4.30 0.00 -1.26 -4.96 116.66 120.47 1o7g n ARG 577 Ca 0.02 0.00 -0.19 0.00 -0.00 0.00 0.00 57.85 57.68 1o7g n ARG 577 Cb 0.42 -0.37 -0.11 0.00 -0.00 0.00 0.00 32.46 32.40 1o7g n ARG 577 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 1o7g n ARG 578 N 0.00 0.61 -2.11 2.89 1.74 -1.26 -4.92 116.66 113.61 1o7g n ARG 578 Ca 0.00 0.16 -0.43 0.00 -0.77 0.00 0.00 57.85 56.81 1o7g n ARG 578 Cb 0.00 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 29.92 1o7g n ARG 578 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 1o7g s TYR 579 N -2.50 2.13 -0.31 -1.55 5.04 -1.26 -4.90 117.35 114.00 1o7g s TYR 579 Ca -0.34 0.52 0.08 0.00 -2.44 0.00 0.00 57.07 54.89 1o7g s TYR 579 Cb 0.10 -3.94 0.20 0.00 0.35 0.00 0.00 41.96 38.66 1o7g s TYR 579 CO 0.56 -3.00 1.15 1.17 -1.34 0.00 0.00 175.55 174.09 1o7g n LYS 580 N 7.53 2.68 -1.67 4.97 3.00 -1.26 -5.06 118.16 128.35 1o7g n LYS 580 Ca 0.18 -1.99 -0.30 0.00 -0.00 0.00 0.00 58.31 56.21 1o7g n LYS 580 Cb 0.45 -1.25 0.08 0.00 0.00 0.00 0.00 35.03 34.31 1o7g n LYS 580 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1o7g s LEU 581 N -1.51 2.63 -0.38 3.14 1.43 -1.26 -4.83 118.68 117.90 1o7g s LEU 581 Ca 0.17 1.20 -0.35 0.00 -1.03 0.00 0.00 54.13 54.11 1o7g s LEU 581 Cb 0.12 -3.83 -0.15 0.00 0.03 0.00 0.00 46.19 42.36 1o7g s LEU 581 CO 0.06 -1.83 1.30 0.59 0.23 0.00 0.00 176.35 176.70 1o7g n ASN 582 N -3.33 0.85 0.12 2.29 5.03 -1.26 -4.84 115.26 114.13 1o7g n ASN 582 Ca 0.07 0.83 -0.01 0.00 0.87 0.00 0.00 54.58 56.34 1o7g n ASN 582 Cb 0.57 -0.68 0.06 0.00 -1.02 0.00 0.00 39.78 38.72 1o7g n ASN 582 CO 0.00 0.00 0.00 -0.33 -1.83 0.00 0.00 177.26 175.10 1o7g h GLU 583 N 4.43 0.00 -3.87 3.52 5.08 -1.97 -3.48 114.58 118.29 1o7g h GLU 583 Ca -0.28 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 57.98 1o7g h GLU 583 Cb 1.05 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.17 1o7g h GLU 583 CO 0.77 0.66 -0.39 0.00 -1.00 0.00 0.00 179.01 179.04 1o7g s ALA 584 N -3.11 -0.11 0.24 3.43 0.00 -1.26 -1.29 121.76 119.67 1o7g s ALA 584 Ca 0.01 -0.73 0.10 0.00 0.00 0.00 0.00 51.96 51.34 1o7g s ALA 584 Cb 0.10 0.54 -0.04 0.00 0.00 0.00 0.00 23.12 23.72 1o7g s ALA 584 CO 0.76 -0.52 -0.06 0.00 0.00 0.00 0.00 175.76 175.94 1o7g s MET 585 N -3.89 2.15 -0.48 0.00 0.23 -0.60 -4.96 119.30 111.76 1o7g s MET 585 Ca 0.08 -1.40 -0.18 0.00 -1.03 0.00 0.00 55.69 53.16 1o7g s MET 585 Cb 0.05 -2.12 0.05 0.00 -1.53 0.00 0.00 34.83 31.28 1o7g s MET 585 CO -0.09 0.39 0.53 -0.80 -2.03 0.00 0.00 175.02 173.02 1o7g s ASN 586 N -3.36 6.21 0.11 -1.18 0.01 -1.26 -1.42 114.94 114.05 1o7g s ASN 586 Ca 0.29 -0.92 -0.16 0.00 -0.71 0.00 0.00 52.86 51.36 1o7g s ASN 586 Cb -0.07 -2.25 -0.04 0.00 0.41 0.00 0.00 41.25 39.30 1o7g s ASN 586 CO 0.18 -0.76 1.58 0.58 -1.51 0.00 0.00 177.10 177.17 1o7g h VAL 587 N 5.81 1.24 -4.14 1.60 2.07 -0.95 -3.43 116.25 118.45 1o7g h VAL 587 Ca -0.27 -0.88 -0.46 0.00 0.82 0.00 0.00 66.70 65.90 1o7g h VAL 587 Cb 1.10 1.13 -0.28 0.00 -1.52 0.00 0.00 31.29 31.72 1o7g h VAL 587 CO 0.90 0.29 -0.80 -0.31 0.02 0.00 0.00 177.57 177.68 1o7g s TYR 588 N -5.13 1.19 -0.48 1.57 1.51 -0.86 -4.94 117.35 110.21 1o7g s TYR 588 Ca -0.13 -0.25 0.06 0.00 -1.01 0.00 0.00 57.07 55.74 1o7g s TYR 588 Cb 0.09 -0.75 0.23 0.00 -0.11 0.00 0.00 41.96 41.42 1o7g s TYR 588 CO 0.77 -0.01 0.79 -1.71 -1.11 0.00 0.00 175.55 174.28 1o7g n ASN 589 N 2.55 -2.58 -4.68 2.29 5.15 -1.17 -1.02 115.26 115.80 1o7g n ASN 589 Ca -0.15 -3.12 -0.35 0.00 -0.60 0.00 0.00 54.58 50.37 1o7g n ASN 589 Cb 0.55 1.44 -0.09 0.00 -0.53 0.00 0.00 39.78 41.15 1o7g n ASN 589 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 1o7g s GLU 590 N 0.49 3.38 0.80 1.20 0.41 0.16 -4.89 118.70 120.26 1o7g s GLU 590 Ca 0.32 -0.37 -0.05 0.00 -0.41 0.00 0.00 54.97 54.47 1o7g s GLU 590 Cb 0.16 -2.97 0.17 0.00 -1.78 0.00 0.00 34.13 29.71 1o7g s GLU 590 CO -0.19 0.55 1.09 0.27 -0.49 0.00 0.00 175.26 176.50 1o7g n ASN 591 N 2.63 1.01 -0.15 -0.19 0.23 -1.26 -1.05 115.26 116.49 1o7g n ASN 591 Ca -0.18 -1.96 -0.06 0.00 -0.53 0.00 0.00 54.58 51.85 1o7g n ASN 591 Cb 0.53 -0.75 0.02 0.00 -2.08 0.00 0.00 39.78 37.51 1o7g n ASN 591 CO 0.00 0.00 0.00 0.15 -0.93 0.00 0.00 177.26 176.48 1o7g h PHE 592 N -0.93 0.51 -0.75 -2.53 3.57 -1.78 -0.63 116.94 114.40 1o7g h PHE 592 Ca -0.36 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.15 1o7g h PHE 592 Cb 1.21 -0.16 -0.04 0.00 2.79 0.00 0.00 35.95 39.75 1o7g h PHE 592 CO 0.00 0.29 0.44 0.37 -2.23 0.00 0.00 178.31 177.18 1o7g h GLN 593 N 0.54 1.02 -0.43 1.11 -0.00 -1.95 0.10 115.11 115.50 1o7g h GLN 593 Ca 0.18 -0.09 -0.15 0.00 -0.00 0.00 0.00 58.65 58.59 1o7g h GLN 593 Cb 0.01 -0.21 -0.01 0.00 0.00 0.00 0.00 27.48 27.27 1o7g h GLN 593 CO -0.08 0.72 -0.30 1.96 0.00 0.00 0.00 178.83 181.13 1o7g h GLN 594 N 1.03 0.96 -0.64 1.69 4.20 -1.81 -1.10 115.11 119.45 1o7g h GLN 594 Ca 0.27 -0.46 -0.02 0.00 0.06 0.00 0.00 58.65 58.50 1o7g h GLN 594 Cb -0.02 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 27.72 1o7g h GLN 594 CO -0.05 1.12 0.31 -0.07 -0.67 0.00 0.00 178.83 179.48 1o7g h LEU 595 N 0.81 0.84 -0.91 1.46 3.38 -0.68 -2.05 115.31 118.15 1o7g h LEU 595 Ca 0.09 -0.13 0.03 0.00 0.09 0.00 0.00 57.88 57.96 1o7g h LEU 595 Cb 0.89 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 41.37 1o7g h LEU 595 CO 0.08 0.73 0.59 0.50 0.09 0.00 0.00 178.44 180.43 1o7g h LYS 596 N 0.88 1.13 -0.64 1.13 3.64 -0.48 0.19 116.57 122.41 1o7g h LYS 596 Ca 0.22 -0.07 0.02 0.00 -1.27 0.00 0.00 60.65 59.55 1o7g h LYS 596 Cb 0.11 -0.25 -0.04 0.00 -0.41 0.00 0.00 32.23 31.64 1o7g h LYS 596 CO -0.03 0.74 0.41 0.28 -2.27 0.00 0.00 179.45 178.58 1o7g h VAL 597 N 1.16 1.11 -0.31 2.00 2.07 -0.90 0.38 116.25 121.76 1o7g h VAL 597 Ca 0.36 -0.28 -0.08 0.00 0.82 0.00 0.00 66.70 67.52 1o7g h VAL 597 Cb -0.02 0.23 -0.02 0.00 -1.52 0.00 0.00 31.29 29.96 1o7g h VAL 597 CO -0.11 0.15 -0.14 0.03 0.02 0.00 0.00 177.57 177.52 1o7g h ARG 598 N 0.81 0.53 -0.39 1.57 3.08 -0.54 -0.95 114.38 118.48 1o7g h ARG 598 Ca 0.25 -0.16 -0.13 0.00 0.07 0.00 0.00 59.98 60.01 1o7g h ARG 598 Cb -0.02 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 29.97 1o7g h ARG 598 CO -0.09 0.66 -0.26 0.28 -1.07 0.00 0.00 179.97 179.49 1o7g h VAL 599 N 0.49 1.28 -0.59 2.04 2.07 -0.43 -1.37 116.25 119.74 1o7g h VAL 599 Ca 0.09 -1.42 -0.04 0.00 0.82 0.00 0.00 66.70 66.15 1o7g h VAL 599 Cb 0.53 1.33 -0.03 0.00 -1.52 0.00 0.00 31.29 31.60 1o7g h VAL 599 CO 0.03 0.47 0.21 -0.33 0.02 0.00 0.00 177.57 177.98 1o7g h GLU 600 N 0.68 0.86 -0.62 1.57 4.39 -0.51 -1.73 114.58 119.23 1o7g h GLU 600 Ca 0.08 -0.15 -0.05 0.00 0.34 0.00 0.00 59.36 59.59 1o7g h GLU 600 Cb 0.84 -0.15 -0.03 0.00 -0.10 0.00 0.00 28.75 29.31 1o7g h GLU 600 CO 0.07 0.73 0.20 1.25 -1.16 0.00 0.00 179.01 180.10 1o7g h HIS 601 N 0.85 0.98 -0.60 4.33 2.76 -0.93 -1.55 115.15 120.99 1o7g h HIS 601 Ca 0.20 -0.10 -0.03 0.00 -2.20 0.00 0.00 60.37 58.24 1o7g h HIS 601 Cb 0.20 -0.29 -0.03 0.00 1.55 0.00 0.00 27.41 28.85 1o7g h HIS 601 CO 0.01 0.81 0.26 1.96 -1.30 0.00 0.00 177.93 179.67 1o7g h GLN 602 N 0.88 0.86 -0.00 5.26 1.08 -0.73 -3.20 115.11 119.25 1o7g h GLN 602 Ca 0.20 -0.12 0.00 0.00 -1.45 0.00 0.00 58.65 57.28 1o7g h GLN 602 Cb 0.28 -0.16 0.00 0.00 -0.05 0.00 0.00 27.48 27.55 1o7g h GLN 602 CO -0.01 0.69 -0.35 1.28 -0.95 0.00 0.00 178.83 179.48 1o7g n LEU 603 N -4.34 0.59 -4.73 1.46 7.99 -0.70 -4.91 117.00 112.36 1o7g n LEU 603 Ca 0.05 -0.02 -0.42 0.00 -0.01 0.00 0.00 56.01 55.62 1o7g n LEU 603 Cb 0.15 -0.23 -0.03 0.00 -0.11 0.00 0.00 43.42 43.20 1o7g n LEU 603 CO 0.38 0.13 1.01 -0.62 -1.51 0.00 0.00 177.39 176.78 1o7g s ASP 604 N -2.82 6.87 0.00 -1.43 -1.08 -0.63 -4.88 116.67 112.71 1o7g s ASP 604 Ca 0.16 2.37 0.20 0.00 -0.52 0.00 0.00 52.55 54.77 1o7g s ASP 604 Cb 0.18 -2.60 1.08 0.00 -1.46 0.00 0.00 42.92 40.12 1o7g s ASP 604 CO 0.62 -0.57 1.62 -0.81 0.52 0.00 0.00 175.17 176.55 1o7g n PRO 605 N 3.06 0.40 -0.59 4.34 -0.04 -1.26 -1.39 135.00 139.52 1o7g n PRO 605 Ca 0.08 0.07 0.09 0.00 -0.04 0.00 0.00 63.50 63.69 1o7g n PRO 605 Cb 0.43 -1.50 0.34 0.00 -0.04 0.00 0.00 33.50 32.73 1o7g n PRO 605 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1o7g n GLN 606 N -1.20 3.58 -2.62 0.54 6.02 -1.26 -4.75 117.38 117.69 1o7g n GLN 606 Ca 0.11 -2.69 -0.41 0.00 -0.01 0.00 0.00 57.00 54.00 1o7g n GLN 606 Cb 0.13 -1.86 -0.03 0.00 1.02 0.00 0.00 30.24 29.50 1o7g n GLN 606 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 1o7g s ASN 607 N -0.86 6.40 0.48 1.08 3.84 -0.49 -4.83 114.94 120.57 1o7g s ASN 607 Ca 0.48 -1.22 0.23 0.00 0.21 0.00 0.00 52.86 52.56 1o7g s ASN 607 Cb 0.31 -2.54 1.24 0.00 -0.55 0.00 0.00 41.25 39.72 1o7g s ASN 607 CO 0.23 -1.54 2.01 -0.50 -2.79 0.00 0.00 177.10 174.51 1o7g h TRP 608 N 9.73 0.00 0.00 0.43 4.06 -1.88 -2.15 115.95 126.14 1o7g h TRP 608 Ca 0.03 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.98 1o7g h TRP 608 Cb 1.03 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.19 1o7g h TRP 608 CO 1.20 0.17 0.00 0.41 -3.56 0.00 0.00 178.44 176.67 1o7g n GLY 609 N -0.65 -1.37 0.80 1.49 0.00 -1.26 -2.47 105.19 101.72 1o7g n GLY 609 Ca -0.02 -0.01 0.06 0.00 0.00 0.00 0.00 46.02 46.05 1o7g n GLY 609 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1o7g n ASN 610 N -1.94 2.31 -3.86 1.61 3.02 -0.81 -4.77 115.26 110.82 1o7g n ASN 610 Ca 0.04 -2.07 -0.26 0.00 -0.03 0.00 0.00 54.58 52.26 1o7g n ASN 610 Cb 0.29 -0.31 -0.17 0.00 -0.61 0.00 0.00 39.78 38.98 1o7g n ASN 610 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1o7g s SER 611 N -0.91 2.24 0.76 6.41 0.15 -1.03 -2.87 113.70 118.44 1o7g s SER 611 Ca 0.27 -0.37 -0.11 0.00 0.70 0.00 0.00 55.95 56.43 1o7g s SER 611 Cb 0.15 -0.75 0.05 0.00 -1.71 0.00 0.00 66.02 63.76 1o7g s SER 611 CO 0.17 -0.16 1.10 -2.16 1.20 0.00 0.00 173.24 173.38 1o7g s PRO 612 N 1.76 2.30 0.27 5.44 0.04 -1.26 -5.01 135.00 138.54 1o7g s PRO 612 Ca 0.04 1.24 -0.30 0.00 0.04 0.00 0.00 61.00 62.01 1o7g s PRO 612 Cb -0.13 -1.90 -0.13 0.00 0.04 0.00 0.00 34.50 32.38 1o7g s PRO 612 CO -0.07 -1.62 1.46 1.17 0.04 0.00 0.00 177.00 177.98 1o7g n LYS 613 N -3.33 2.29 -1.25 4.56 4.81 -1.14 -4.83 118.16 119.27 1o7g n LYS 613 Ca 0.09 0.81 -0.31 0.00 -0.87 0.00 0.00 58.31 58.04 1o7g n LYS 613 Cb 0.53 -2.51 0.10 0.00 0.02 0.00 0.00 35.03 33.17 1o7g n LYS 613 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1o7g s LEU 614 N -0.25 2.98 -0.10 3.14 1.02 -1.26 -4.89 118.68 119.32 1o7g s LEU 614 Ca 0.65 1.80 0.01 0.00 0.02 0.00 0.00 54.13 56.62 1o7g s LEU 614 Cb -0.58 -4.48 0.02 0.00 0.02 0.00 0.00 46.19 41.16 1o7g s LEU 614 CO 0.51 -2.09 -0.14 -0.13 0.02 0.00 0.00 176.35 174.52 1o7g s ARG 615 N -4.90 2.05 -0.00 1.70 1.81 -0.75 -5.01 118.95 113.84 1o7g s ARG 615 Ca 0.61 -0.50 0.08 0.00 -1.72 0.00 0.00 55.73 54.20 1o7g s ARG 615 Cb -0.17 -1.77 -0.02 0.00 -0.45 0.00 0.00 34.95 32.53 1o7g s ARG 615 CO 0.56 -0.08 -0.25 -0.06 -0.68 0.00 0.00 175.30 174.80 1o7g s PHE 616 N 1.03 2.37 -0.06 -0.53 0.40 -1.26 -1.04 117.98 118.89 1o7g s PHE 616 Ca -0.06 -0.40 -0.03 0.00 -0.60 0.00 0.00 56.93 55.84 1o7g s PHE 616 Cb -0.15 -1.48 0.04 0.00 0.51 0.00 0.00 43.02 41.94 1o7g s PHE 616 CO -0.02 0.04 0.11 0.99 0.70 0.00 0.00 175.22 177.04 1o7g s THR 617 N -0.69 -0.18 -0.08 0.64 2.01 -0.39 -4.79 115.64 112.16 1o7g s THR 617 Ca 0.11 0.37 0.01 0.00 0.31 0.00 0.00 61.69 62.49 1o7g s THR 617 Cb -0.10 -0.22 -0.03 0.00 0.01 0.00 0.00 72.50 72.16 1o7g s THR 617 CO 0.00 0.15 -0.08 -0.13 -0.69 0.00 0.00 174.62 173.87 1o7g s ARG 618 N 2.13 2.83 -0.20 4.92 0.52 -1.26 -0.80 118.95 127.09 1o7g s ARG 618 Ca 0.03 -0.58 0.01 0.00 -0.52 0.00 0.00 55.73 54.67 1o7g s ARG 618 Cb -0.12 -2.59 0.04 0.00 0.52 0.00 0.00 34.95 32.80 1o7g s ARG 618 CO -0.05 0.59 -0.13 -0.06 0.02 0.00 0.00 175.30 175.68 1o7g s PHE 619 N -0.62 2.54 -0.18 -0.53 0.08 0.32 -4.98 117.98 114.61 1o7g s PHE 619 Ca 0.09 -1.63 -0.05 0.00 0.12 0.00 0.00 56.93 55.46 1o7g s PHE 619 Cb -0.12 -1.71 -0.03 0.00 -0.57 0.00 0.00 43.02 40.59 1o7g s PHE 619 CO 0.02 -0.76 -0.01 0.42 -0.10 0.00 0.00 175.22 174.79 1o7g s ILE 620 N 1.36 4.01 0.30 0.64 -1.09 -1.26 -1.19 121.20 123.97 1o7g s ILE 620 Ca -0.00 -0.30 0.04 0.00 -2.23 0.00 0.00 60.65 58.16 1o7g s ILE 620 Cb -0.16 -2.79 -0.03 0.00 -1.58 0.00 0.00 42.46 37.90 1o7g s ILE 620 CO -0.09 0.46 0.21 0.42 -1.23 0.00 0.00 174.94 174.71 1o7g s THR 621 N 0.68 0.08 -1.44 2.92 -4.23 -0.15 -4.94 115.64 108.55 1o7g s THR 621 Ca -0.01 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.40 1o7g s THR 621 Cb -0.14 -2.49 0.05 0.00 1.34 0.00 0.00 72.50 71.25 1o7g s THR 621 CO 0.02 0.00 1.03 0.59 -0.54 0.00 0.00 174.62 175.72 1o7g n ASN 622 N -1.11 -4.94 -4.72 3.99 4.13 -1.26 -1.16 115.26 110.19 1o7g n ASN 622 Ca 0.04 -0.70 -0.42 0.00 1.68 0.00 0.00 54.58 55.19 1o7g n ASN 622 Cb 0.64 -4.34 -0.03 0.00 -1.54 0.00 0.00 39.78 34.51 1o7g n ASN 622 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1o7g s VAL 623 N -3.34 3.43 0.03 2.41 1.01 -1.26 -4.27 120.40 118.41 1o7g s VAL 623 Ca 0.56 1.06 0.04 0.00 0.00 0.00 0.00 61.98 63.64 1o7g s VAL 623 Cb -0.27 -3.68 -0.02 0.00 0.00 0.00 0.00 36.38 32.41 1o7g s VAL 623 CO 0.79 0.10 -0.12 -1.10 0.00 0.00 0.00 175.10 174.78 1o7g s GLN 624 N 0.78 0.80 -0.02 2.72 -0.21 -0.15 -4.98 119.66 118.59 1o7g s GLN 624 Ca 0.61 -0.65 -0.01 0.00 0.02 0.00 0.00 55.36 55.33 1o7g s GLN 624 Cb -0.35 -0.76 0.01 0.00 1.00 0.00 0.00 33.01 32.91 1o7g s GLN 624 CO 0.32 0.19 0.04 0.00 -2.12 0.00 0.00 175.29 173.72 1o7g s ALA 625 N -0.80 -0.08 -0.15 6.09 0.00 -1.26 -0.62 121.76 124.94 1o7g s ALA 625 Ca -0.00 0.15 -0.13 0.00 0.00 0.00 0.00 51.96 51.98 1o7g s ALA 625 Cb -0.07 -0.10 0.04 0.00 0.00 0.00 0.00 23.12 22.99 1o7g s ALA 625 CO 0.01 -0.03 0.39 0.00 0.00 0.00 0.00 175.76 176.12 1o7g s ALA 626 N 0.18 -0.96 0.41 0.00 0.00 -0.08 -4.70 121.76 116.61 1o7g s ALA 626 Ca -0.01 1.11 -0.24 0.00 0.00 0.00 0.00 51.96 52.81 1o7g s ALA 626 Cb -0.02 -0.65 -0.08 0.00 0.00 0.00 0.00 23.12 22.37 1o7g s ALA 626 CO -0.01 -0.19 1.11 1.41 0.00 0.00 0.00 175.76 178.09 1o7g s MET 627 N 0.25 4.05 0.39 0.00 1.75 -1.26 -0.49 119.30 123.99 1o7g s MET 627 Ca -0.00 1.68 -0.26 0.00 -1.25 0.00 0.00 55.69 55.85 1o7g s MET 627 Cb -0.03 -2.57 -0.09 0.00 2.84 0.00 0.00 34.83 34.98 1o7g s MET 627 CO 0.00 -0.28 1.31 0.34 -0.65 0.00 0.00 175.02 175.74 1o7g s ASP 628 N -1.37 6.38 0.21 1.11 2.15 0.01 -4.85 116.67 120.29 1o7g s ASP 628 Ca 0.59 2.67 -0.04 0.00 0.43 0.00 0.00 52.55 56.20 1o7g s ASP 628 Cb -0.26 -2.64 0.16 0.00 -0.30 0.00 0.00 42.92 39.88 1o7g s ASP 628 CO 0.33 -0.81 1.57 0.58 -0.17 0.00 0.00 175.17 176.67 1o7g h VAL 629 N 2.56 1.29 0.08 1.11 2.07 -1.94 -3.34 116.25 118.08 1o7g h VAL 629 Ca -0.50 -1.55 -0.37 0.00 0.82 0.00 0.00 66.70 65.11 1o7g h VAL 629 Cb 1.24 1.49 -0.03 0.00 -1.52 0.00 0.00 31.29 32.47 1o7g h VAL 629 CO 0.63 0.50 -2.10 0.59 0.02 0.00 0.00 177.57 177.20 1o7g n ASN 630 N -4.04 1.93 -4.13 0.57 3.02 -1.26 -4.79 115.26 106.56 1o7g n ASN 630 Ca -0.02 0.14 -0.36 0.00 -0.03 0.00 0.00 54.58 54.31 1o7g n ASN 630 Cb 0.52 -0.63 -0.11 0.00 -0.61 0.00 0.00 39.78 38.94 1o7g n ASN 630 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1o7g s ASP 631 N -6.79 5.27 0.00 6.41 -1.08 -1.25 -4.97 116.67 114.25 1o7g s ASP 631 Ca -0.24 -2.00 0.00 0.00 -0.52 0.00 0.00 52.55 49.80 1o7g s ASP 631 Cb 0.07 -1.84 0.00 0.00 -1.46 0.00 0.00 42.92 39.70 1o7g s ASP 631 CO 0.74 -0.54 0.98 0.29 0.52 0.00 0.00 175.17 177.15 1o7g n LYS 632 N 4.61 0.00 -0.05 4.34 5.02 -1.26 -0.91 118.16 129.91 1o7g n LYS 632 Ca -0.03 0.48 0.08 0.00 -2.02 0.00 0.00 58.31 56.82 1o7g n LYS 632 Cb 0.41 -1.51 0.10 0.00 -0.02 0.00 0.00 35.03 34.02 1o7g n LYS 632 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1o7g n GLU 633 N -1.48 1.62 -3.70 1.97 1.02 -1.26 -4.90 120.64 113.91 1o7g n GLU 633 Ca 0.00 -1.66 -0.37 0.00 -0.02 0.00 0.00 57.16 55.11 1o7g n GLU 633 Cb 0.01 -1.34 -0.12 0.00 -0.02 0.00 0.00 31.44 29.97 1o7g n GLU 633 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1o7g s LEU 634 N -1.32 3.67 -0.23 -4.62 2.96 -0.09 -4.24 118.68 114.80 1o7g s LEU 634 Ca 0.23 -0.23 -0.09 0.00 -0.22 0.00 0.00 54.13 53.81 1o7g s LEU 634 Cb 0.15 -1.97 -0.04 0.00 0.50 0.00 0.00 46.19 44.82 1o7g s LEU 634 CO 0.22 -0.07 0.13 -0.22 -1.32 0.00 0.00 176.35 175.08 1o7g s LEU 635 N 1.64 3.91 -0.11 -0.68 2.96 0.27 -0.81 118.68 125.85 1o7g s LEU 635 Ca 0.06 0.03 -0.22 0.00 -0.22 0.00 0.00 54.13 53.78 1o7g s LEU 635 Cb -0.16 -2.04 -0.03 0.00 0.50 0.00 0.00 46.19 44.46 1o7g s LEU 635 CO 0.05 0.05 0.64 -1.00 -1.32 0.00 0.00 176.35 174.77 1o7g s HIS 636 N 1.11 3.51 -0.06 5.38 3.76 0.36 -0.59 115.29 128.77 1o7g s HIS 636 Ca 0.06 1.09 0.03 0.00 -0.15 0.00 0.00 55.06 56.09 1o7g s HIS 636 Cb -0.14 -2.75 0.01 0.00 1.11 0.00 0.00 32.58 30.81 1o7g s HIS 636 CO 0.04 0.03 -0.14 0.42 -0.85 0.00 0.00 174.74 174.25 1o7g s ILE 637 N 1.07 1.25 -0.06 0.60 1.01 -0.42 -0.91 121.20 123.74 1o7g s ILE 637 Ca 0.33 -0.57 0.04 0.00 0.00 0.00 0.00 60.65 60.44 1o7g s ILE 637 Cb -0.17 -1.11 -0.02 0.00 0.01 0.00 0.00 42.46 41.18 1o7g s ILE 637 CO 0.14 0.37 -0.16 -0.60 0.00 0.00 0.00 174.94 174.70 1o7g s ARG 638 N 0.39 2.57 0.14 2.79 3.52 0.21 -0.59 118.95 127.98 1o7g s ARG 638 Ca -0.10 -0.72 -0.17 0.00 -0.13 0.00 0.00 55.73 54.60 1o7g s ARG 638 Cb -0.14 -2.37 0.04 0.00 -1.56 0.00 0.00 34.95 30.92 1o7g s ARG 638 CO 0.03 0.56 0.45 -1.54 -0.81 0.00 0.00 175.30 174.00 1o7g s SER 639 N -0.58 -0.28 0.04 -2.12 1.04 -0.84 -0.98 113.70 109.98 1o7g s SER 639 Ca 0.08 -0.31 0.06 0.00 0.48 0.00 0.00 55.95 56.26 1o7g s SER 639 Cb -0.11 0.51 -0.03 0.00 0.10 0.00 0.00 66.02 66.49 1o7g s SER 639 CO 0.01 -0.91 -0.14 0.20 0.98 0.00 0.00 173.24 173.38 1o7g s ASN 640 N -2.81 4.11 -0.03 7.02 0.01 -0.31 0.23 114.94 123.16 1o7g s ASN 640 Ca 0.04 -0.34 0.04 0.00 -0.71 0.00 0.00 52.86 51.89 1o7g s ASN 640 Cb 0.01 -0.77 -0.00 0.00 0.41 0.00 0.00 41.25 40.89 1o7g s ASN 640 CO -0.10 0.25 -0.14 0.54 -1.51 0.00 0.00 177.10 176.14 1o7g s VAL 641 N -0.98 1.16 -0.17 1.60 0.11 0.10 -0.97 120.40 121.25 1o7g s VAL 641 Ca 0.16 -0.59 -0.04 0.00 -2.93 0.00 0.00 61.98 58.58 1o7g s VAL 641 Cb -0.11 -0.99 -0.03 0.00 -1.53 0.00 0.00 36.38 33.72 1o7g s VAL 641 CO 0.07 0.34 -0.02 -0.63 -3.33 0.00 0.00 175.10 171.52 1o7g s ILE 642 N -0.07 3.89 -0.13 7.04 1.01 -0.33 -1.48 121.20 131.13 1o7g s ILE 642 Ca 0.00 -0.35 0.01 0.00 0.00 0.00 0.00 60.65 60.32 1o7g s ILE 642 Cb -0.09 -2.73 0.02 0.00 0.01 0.00 0.00 42.46 39.68 1o7g s ILE 642 CO 0.01 0.47 -0.16 -0.22 0.00 0.00 0.00 174.94 175.03 1o7g s LEU 643 N 0.63 1.78 -0.21 2.97 0.20 0.44 -0.52 118.68 123.98 1o7g s LEU 643 Ca -0.02 -0.48 -0.05 0.00 0.69 0.00 0.00 54.13 54.27 1o7g s LEU 643 Cb -0.14 -1.19 -0.02 0.00 -0.43 0.00 0.00 46.19 44.41 1o7g s LEU 643 CO 0.02 0.00 0.01 -2.28 -0.29 0.00 0.00 176.35 173.82 1o7g s HIS 644 N 1.13 3.05 -0.16 5.38 5.65 0.02 -0.54 115.29 129.82 1o7g s HIS 644 Ca -0.03 -0.47 0.02 0.00 0.25 0.00 0.00 55.06 54.83 1o7g s HIS 644 Cb -0.14 -2.12 0.02 0.00 -1.18 0.00 0.00 32.58 29.16 1o7g s HIS 644 CO -0.05 -0.27 -0.20 0.50 -0.65 0.00 0.00 174.74 174.06 1o7g s ARG 645 N 1.14 2.95 -0.09 2.88 3.52 -0.07 -1.26 118.95 128.01 1o7g s ARG 645 Ca 0.03 -0.82 0.02 0.00 -0.13 0.00 0.00 55.73 54.84 1o7g s ARG 645 Cb -0.14 -2.47 0.01 0.00 -1.56 0.00 0.00 34.95 30.78 1o7g s ARG 645 CO 0.02 -0.13 -0.16 0.00 -0.81 0.00 0.00 175.30 174.22 1o7g s ALA 646 N 1.09 1.65 0.07 6.12 0.00 -0.21 -0.84 121.76 129.64 1o7g s ALA 646 Ca -0.00 -0.67 -0.11 0.00 0.00 0.00 0.00 51.96 51.17 1o7g s ALA 646 Cb -0.14 -0.73 0.01 0.00 0.00 0.00 0.00 23.12 22.26 1o7g s ALA 646 CO -0.08 0.08 0.26 -0.98 0.00 0.00 0.00 175.76 175.04 1o7g s ARG 647 N 0.71 0.83 -1.47 0.00 1.70 -0.56 -1.81 118.95 118.35 1o7g s ARG 647 Ca -0.13 -0.71 -0.07 0.00 -0.47 0.00 0.00 55.73 54.35 1o7g s ARG 647 Cb -0.16 0.35 0.03 0.00 -0.57 0.00 0.00 34.95 34.60 1o7g s ARG 647 CO 0.03 -0.27 0.71 0.54 -1.08 0.00 0.00 175.30 175.22 1o7g n ARG 648 N 0.27 -5.08 0.00 3.89 5.12 -1.26 -1.77 116.66 117.82 1o7g n ARG 648 Ca -0.17 0.77 0.00 0.00 -1.93 0.00 0.00 57.85 56.52 1o7g n ARG 648 Cb 0.61 -5.63 0.00 0.00 -1.16 0.00 0.00 32.46 26.28 1o7g n ARG 648 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1o7g n GLY 649 N -1.54 1.97 0.29 -0.13 0.00 -1.26 -4.29 105.19 100.23 1o7g n GLY 649 Ca -0.06 -0.25 0.03 0.00 0.00 0.00 0.00 46.02 45.73 1o7g n GLY 649 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1o7g n ASN 650 N 3.36 0.74 -4.69 1.61 0.23 -1.23 -5.01 115.26 110.26 1o7g n ASN 650 Ca 0.00 -2.14 -0.38 0.00 -0.53 0.00 0.00 54.58 51.53 1o7g n ASN 650 Cb 0.00 -0.22 -0.07 0.00 -2.08 0.00 0.00 39.78 37.41 1o7g n ASN 650 CO 0.00 0.00 0.00 -1.58 -0.93 0.00 0.00 177.26 174.75 1o7g s GLN 651 N -0.81 4.22 -0.04 -3.83 0.74 -0.73 -5.01 119.66 114.21 1o7g s GLN 651 Ca 0.08 0.21 -0.01 0.00 0.05 0.00 0.00 55.36 55.69 1o7g s GLN 651 Cb 0.07 -3.49 0.03 0.00 1.10 0.00 0.00 33.01 30.72 1o7g s GLN 651 CO 0.01 0.07 0.03 0.08 -0.55 0.00 0.00 175.29 174.93 1o7g s VAL 652 N 0.97 0.04 -0.05 1.34 1.01 -1.26 -1.50 120.40 120.94 1o7g s VAL 652 Ca 0.19 0.27 0.04 0.00 0.00 0.00 0.00 61.98 62.48 1o7g s VAL 652 Cb -0.14 -0.23 0.00 0.00 0.00 0.00 0.00 36.38 36.01 1o7g s VAL 652 CO 0.07 0.17 -0.16 -1.81 0.00 0.00 0.00 175.10 173.37 1o7g s ASP 653 N 1.72 2.08 -0.13 3.32 1.01 -0.02 -5.00 116.67 119.65 1o7g s ASP 653 Ca -0.00 -0.35 0.02 0.00 0.71 0.00 0.00 52.55 52.93 1o7g s ASP 653 Cb -0.13 -0.73 0.01 0.00 1.01 0.00 0.00 42.92 43.09 1o7g s ASP 653 CO -0.03 0.11 -0.19 -0.69 0.21 0.00 0.00 175.17 174.59 1o7g s VAL 654 N 0.26 1.78 -0.01 -1.27 1.01 -1.26 -0.89 120.40 120.02 1o7g s VAL 654 Ca -0.08 -0.81 0.02 0.00 0.00 0.00 0.00 61.98 61.11 1o7g s VAL 654 Cb -0.13 -1.60 -0.03 0.00 0.00 0.00 0.00 36.38 34.61 1o7g s VAL 654 CO 0.03 0.50 -0.05 -0.36 0.00 0.00 0.00 175.10 175.22 1o7g s PHE 655 N 0.92 2.96 -0.05 5.22 0.40 0.30 -4.95 117.98 122.78 1o7g s PHE 655 Ca -0.06 0.01 0.01 0.00 -0.60 0.00 0.00 56.93 56.28 1o7g s PHE 655 Cb -0.15 -1.64 0.02 0.00 0.51 0.00 0.00 43.02 41.76 1o7g s PHE 655 CO -0.02 0.40 -0.04 0.71 0.70 0.00 0.00 175.22 176.97 1o7g s TYR 656 N -1.00 0.74 0.07 0.36 1.51 -1.26 -0.42 117.35 117.35 1o7g s TYR 656 Ca 0.17 -0.21 -0.26 0.00 -1.01 0.00 0.00 57.07 55.76 1o7g s TYR 656 Cb -0.11 -0.70 0.07 0.00 -0.11 0.00 0.00 41.96 41.11 1o7g s TYR 656 CO 0.08 -0.22 0.65 0.00 -1.11 0.00 0.00 175.55 174.94 1o7g s ALA 657 N 1.14 -1.68 -0.11 3.71 0.00 -0.55 -4.53 121.76 119.75 1o7g s ALA 657 Ca -0.08 0.82 -0.06 0.00 0.00 0.00 0.00 51.96 52.65 1o7g s ALA 657 Cb -0.14 0.52 -0.04 0.00 0.00 0.00 0.00 23.12 23.47 1o7g s ALA 657 CO -0.01 -0.62 0.10 0.00 0.00 0.00 0.00 175.76 175.23 1o7g s ALA 658 N -2.79 3.70 -0.12 0.00 0.00 -1.26 -0.72 121.76 120.57 1o7g s ALA 658 Ca -0.03 -0.69 0.03 0.00 0.00 0.00 0.00 51.96 51.27 1o7g s ALA 658 Cb -0.01 -1.83 0.00 0.00 0.00 0.00 0.00 23.12 21.29 1o7g s ALA 658 CO -0.05 0.61 -0.22 1.03 0.00 0.00 0.00 175.76 177.13 1o7g s ARG 659 N -0.97 3.08 -0.38 0.00 0.52 0.14 -4.42 118.95 116.91 1o7g s ARG 659 Ca 0.14 -0.85 -0.08 0.00 -0.52 0.00 0.00 55.73 54.42 1o7g s ARG 659 Cb -0.12 -2.38 0.06 0.00 0.52 0.00 0.00 34.95 33.03 1o7g s ARG 659 CO 0.03 0.13 0.20 -1.21 0.02 0.00 0.00 175.30 174.47 1o7g s GLU 660 N 0.48 2.62 0.22 3.54 2.02 0.09 -1.99 118.70 125.67 1o7g s GLU 660 Ca -0.15 -1.32 0.09 0.00 0.02 0.00 0.00 54.97 53.62 1o7g s GLU 660 Cb -0.17 -3.66 -0.04 0.00 0.10 0.00 0.00 34.13 30.36 1o7g s GLU 660 CO 0.06 -0.82 -0.06 -0.51 0.02 0.00 0.00 175.26 173.95 1o7g s ASP 661 N 1.77 4.36 -0.08 -0.19 1.01 0.24 -0.97 116.67 122.81 1o7g s ASP 661 Ca 0.01 -0.62 0.03 0.00 0.71 0.00 0.00 52.55 52.68 1o7g s ASP 661 Cb -0.21 -0.76 0.01 0.00 1.01 0.00 0.00 42.92 42.96 1o7g s ASP 661 CO 0.03 0.06 -0.17 -0.54 0.21 0.00 0.00 175.17 174.76 1o7g s LYS 662 N -3.22 2.20 -0.02 8.23 1.02 0.25 -1.31 119.74 126.89 1o7g s LYS 662 Ca 0.28 -0.59 0.06 0.00 0.02 0.00 0.00 55.97 55.74 1o7g s LYS 662 Cb -0.08 -1.74 -0.01 0.00 -0.52 0.00 0.00 37.83 35.48 1o7g s LYS 662 CO 0.17 0.08 -0.20 -1.58 -0.92 0.00 0.00 175.35 172.91 1o7g s TRP 663 N 0.55 1.80 0.01 3.18 0.52 0.24 -0.41 118.94 124.83 1o7g s TRP 663 Ca -0.16 -0.37 0.00 0.00 0.02 0.00 0.00 56.10 55.59 1o7g s TRP 663 Cb -0.17 -1.17 -0.01 0.00 -1.15 0.00 0.00 33.47 30.98 1o7g s TRP 663 CO 0.06 -0.06 -0.01 0.21 0.02 0.00 0.00 176.95 177.17 1o7g s LYS 664 N -0.39 0.14 0.11 4.98 2.20 -0.16 -0.56 119.74 126.05 1o7g s LYS 664 Ca 0.06 -0.25 -0.31 0.00 -0.36 0.00 0.00 55.97 55.10 1o7g s LYS 664 Cb -0.08 0.03 -0.08 0.00 -1.51 0.00 0.00 37.83 36.18 1o7g s LYS 664 CO -0.00 -0.02 1.42 1.03 -0.36 0.00 0.00 175.35 177.42 1o7g s ARG 665 N -0.59 4.30 0.00 4.03 0.52 -1.26 -1.05 118.95 124.90 1o7g s ARG 665 Ca -0.06 2.10 0.00 0.00 -0.52 0.00 0.00 55.73 57.25 1o7g s ARG 665 Cb -0.04 -3.27 0.00 0.00 0.52 0.00 0.00 34.95 32.16 1o7g s ARG 665 CO -0.00 -0.47 0.00 0.41 0.02 0.00 0.00 175.30 175.25 1o7g n GLY 666 N 3.55 2.97 3.72 -3.53 0.00 0.11 -4.91 105.19 107.10 1o7g n GLY 666 Ca 0.12 -0.42 -0.42 0.00 0.00 0.00 0.00 46.02 45.30 1o7g n GLY 666 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1o7g s GLU 667 N 4.25 4.25 -0.08 1.61 2.12 -1.26 -1.61 118.70 127.98 1o7g s GLU 667 Ca 0.00 2.28 0.00 0.00 0.36 0.00 0.00 54.97 57.61 1o7g s GLU 667 Cb 0.00 -3.18 0.00 0.00 0.26 0.00 0.00 34.13 31.21 1o7g s GLU 667 CO 0.00 -0.55 0.00 0.41 -0.54 0.00 0.00 175.26 174.58 1o7g n GLY 668 N 3.57 0.42 2.29 -1.50 0.00 -1.26 -2.91 105.19 105.81 1o7g n GLY 668 Ca 0.13 -0.11 -0.02 0.00 0.00 0.00 0.00 46.02 46.02 1o7g n GLY 668 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1o7g n GLY 669 N -1.96 0.53 3.71 -0.02 0.00 -0.63 -5.01 105.19 101.81 1o7g n GLY 669 Ca -0.01 -0.25 -0.41 0.00 0.00 0.00 0.00 46.02 45.35 1o7g n GLY 669 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1o7g s VAL 670 N -1.87 4.87 0.04 1.61 1.01 -1.15 -4.65 120.40 120.26 1o7g s VAL 670 Ca 0.00 1.92 -0.31 0.00 0.00 0.00 0.00 61.98 63.60 1o7g s VAL 670 Cb 0.00 -4.26 -0.06 0.00 0.00 0.00 0.00 36.38 32.06 1o7g s VAL 670 CO 0.00 0.20 1.31 -0.13 0.00 0.00 0.00 175.10 176.48 1o7g s ARG 671 N 0.84 4.34 0.09 2.72 0.52 -1.26 -0.71 118.95 125.49 1o7g s ARG 671 Ca 0.48 1.90 0.05 0.00 -0.52 0.00 0.00 55.73 57.64 1o7g s ARG 671 Cb -0.21 -3.42 -0.03 0.00 0.52 0.00 0.00 34.95 31.81 1o7g s ARG 671 CO 0.26 -0.43 -0.13 0.15 0.02 0.00 0.00 175.30 175.17 1o7g s LYS 672 N 1.66 0.85 -0.03 3.54 1.02 -0.22 -4.84 119.74 121.72 1o7g s LYS 672 Ca 0.61 -1.06 -0.30 0.00 0.02 0.00 0.00 55.97 55.24 1o7g s LYS 672 Cb -0.31 -0.73 -0.05 0.00 -0.52 0.00 0.00 37.83 36.22 1o7g s LYS 672 CO 0.28 0.14 1.43 -1.17 -0.92 0.00 0.00 175.35 175.11 1o7g s LEU 673 N -2.09 4.30 -0.01 3.17 2.96 0.78 -0.99 118.68 126.79 1o7g s LEU 673 Ca 0.02 2.08 0.12 0.00 -0.22 0.00 0.00 54.13 56.13 1o7g s LEU 673 Cb -0.07 -3.55 -0.17 0.00 0.50 0.00 0.00 46.19 42.90 1o7g s LEU 673 CO 0.02 -0.76 0.34 1.33 -1.32 0.00 0.00 176.35 175.96 1o7g n VAL 674 N 4.90 0.00 -3.65 1.68 0.24 0.46 -0.44 118.33 121.51 1o7g n VAL 674 Ca 0.14 -0.26 -0.09 0.00 -2.04 0.00 0.00 64.34 62.09 1o7g n VAL 674 Cb 0.44 0.48 -0.08 0.00 -1.47 0.00 0.00 33.84 33.21 1o7g n VAL 674 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 1o7g s GLN 675 N -2.60 0.65 -0.05 7.34 0.74 -0.93 -1.77 119.66 123.04 1o7g s GLN 675 Ca -0.01 1.08 0.04 0.00 0.05 0.00 0.00 55.36 56.51 1o7g s GLN 675 Cb 0.08 0.14 0.00 0.00 1.10 0.00 0.00 33.01 34.33 1o7g s GLN 675 CO 0.50 -0.14 -0.16 0.50 -0.55 0.00 0.00 175.29 175.43 1o7g s ARG 676 N 1.38 1.78 -0.09 1.67 3.52 -0.19 -0.59 118.95 126.44 1o7g s ARG 676 Ca -0.08 -0.56 0.01 0.00 -0.13 0.00 0.00 55.73 54.97 1o7g s ARG 676 Cb -0.06 -1.52 0.02 0.00 -1.56 0.00 0.00 34.95 31.83 1o7g s ARG 676 CO -0.15 0.18 -0.11 0.12 -0.81 0.00 0.00 175.30 174.53 1o7g s PHE 677 N 0.21 1.51 -0.07 5.12 5.36 -0.15 -0.58 117.98 129.38 1o7g s PHE 677 Ca -0.07 -0.64 0.02 0.00 -0.96 0.00 0.00 56.93 55.28 1o7g s PHE 677 Cb -0.13 -1.15 0.01 0.00 -0.34 0.00 0.00 43.02 41.41 1o7g s PHE 677 CO 0.03 -0.37 -0.12 0.08 -1.46 0.00 0.00 175.22 173.37 1o7g s VAL 678 N 1.04 1.14 -0.50 3.12 1.01 -0.45 -0.73 120.40 125.03 1o7g s VAL 678 Ca -0.07 -0.48 -0.14 0.00 0.00 0.00 0.00 61.98 61.29 1o7g s VAL 678 Cb -0.15 -1.05 0.11 0.00 0.00 0.00 0.00 36.38 35.30 1o7g s VAL 678 CO -0.01 0.36 0.43 -0.62 0.00 0.00 0.00 175.10 175.25 1o7g s ASP 679 N 0.69 6.04 0.14 3.32 -1.08 -1.26 -0.71 116.67 123.82 1o7g s ASP 679 Ca -0.14 -1.68 -0.31 0.00 -0.52 0.00 0.00 52.55 49.90 1o7g s ASP 679 Cb -0.16 -2.15 -0.08 0.00 -1.46 0.00 0.00 42.92 39.07 1o7g s ASP 679 CO 0.03 -0.75 1.35 -0.47 0.52 0.00 0.00 175.17 175.85 1o7g s TYR 680 N 1.55 3.26 -0.28 -5.34 5.04 -0.20 -4.83 117.35 116.55 1o7g s TYR 680 Ca 0.04 1.07 0.25 0.00 -2.44 0.00 0.00 57.07 55.99 1o7g s TYR 680 Cb -0.27 -3.64 0.59 0.00 0.35 0.00 0.00 41.96 38.99 1o7g s TYR 680 CO 0.03 -2.14 1.70 -1.00 -1.34 0.00 0.00 175.55 172.80 1o7g h PRO 681 N 6.24 0.00 -5.24 4.97 0.13 -1.89 -3.43 132.00 132.78 1o7g h PRO 681 Ca -0.43 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.09 1o7g h PRO 681 Cb 1.21 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.22 1o7g h PRO 681 CO 0.83 0.03 -0.47 -1.21 -0.23 0.00 0.00 178.00 176.95 1o7g s GLU 682 N -3.32 4.16 -0.04 0.86 2.02 -1.26 -4.97 118.70 116.15 1o7g s GLU 682 Ca 0.05 -0.19 -0.25 0.00 0.02 0.00 0.00 54.97 54.60 1o7g s GLU 682 Cb 0.06 -3.46 -0.21 0.00 0.10 0.00 0.00 34.13 30.62 1o7g s GLU 682 CO 0.64 0.21 1.15 -0.09 0.02 0.00 0.00 175.26 177.20 1o7g h ARG 683 N 6.94 0.09 -4.77 1.61 9.65 -1.92 -3.41 114.38 122.57 1o7g h ARG 683 Ca -0.40 -0.07 -0.67 0.00 -1.10 0.00 0.00 59.98 57.74 1o7g h ARG 683 Cb 1.16 0.01 -0.22 0.00 -1.39 0.00 0.00 29.97 29.53 1o7g h ARG 683 CO 0.73 0.70 -0.55 0.42 2.80 0.00 0.00 179.97 184.07 1o7g s ILE 684 N -3.71 4.71 0.21 1.20 1.01 -1.26 -5.02 121.20 118.35 1o7g s ILE 684 Ca -0.16 -0.38 -0.30 0.00 0.00 0.00 0.00 60.65 59.81 1o7g s ILE 684 Cb 0.01 -3.40 -0.08 0.00 0.01 0.00 0.00 42.46 39.00 1o7g s ILE 684 CO 0.70 0.06 1.14 -0.76 0.00 0.00 0.00 174.94 176.09 1o7g s LEU 685 N 1.63 4.49 -0.31 2.97 1.43 -1.26 -4.93 118.68 122.71 1o7g s LEU 685 Ca 0.05 2.21 0.08 0.00 -1.03 0.00 0.00 54.13 55.44 1o7g s LEU 685 Cb -0.17 -3.61 0.48 0.00 0.03 0.00 0.00 46.19 42.91 1o7g s LEU 685 CO 0.07 -0.27 1.40 0.00 0.23 0.00 0.00 176.35 177.78 1o7g n GLN 686 N 2.05 2.26 -0.10 1.70 1.13 -1.26 -4.63 117.38 118.53 1o7g n GLN 686 Ca 0.02 -3.45 0.08 0.00 -1.94 0.00 0.00 57.00 51.71 1o7g n GLN 686 Cb 0.45 -1.92 0.11 0.00 0.11 0.00 0.00 30.24 28.99 1o7g n GLN 686 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 1o7g n THR 687 N -1.01 1.62 0.00 5.09 -2.24 -1.26 -4.99 114.28 111.48 1o7g n THR 687 Ca 0.35 -1.92 0.00 0.00 -2.27 0.00 0.00 64.05 60.21 1o7g n THR 687 Cb 0.93 -0.09 0.00 0.00 -2.10 0.00 0.00 70.33 69.07 1o7g n THR 687 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1o7g n HIS 688 N -1.20 0.00 -3.81 4.78 8.25 -1.26 -4.73 115.22 117.24 1o7g n HIS 688 Ca 0.13 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.55 1o7g n HIS 688 Cb 0.60 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.71 1o7g n HIS 688 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1o7g s ASN 689 N 0.00 -0.10 -0.39 0.41 2.20 -1.26 -5.03 114.94 110.76 1o7g s ASN 689 Ca 0.00 -0.59 0.05 0.00 -0.94 0.00 0.00 52.86 51.38 1o7g s ASN 689 Cb 0.00 0.55 0.52 0.00 -2.00 0.00 0.00 41.25 40.32 1o7g s ASN 689 CO 0.00 -1.05 1.62 -0.11 -2.94 0.00 0.00 177.10 174.62 1o7g n LEU 690 N -0.55 5.44 -2.41 3.54 0.00 -1.26 -4.91 117.00 116.85 1o7g n LEU 690 Ca -0.05 -4.00 -0.18 0.00 0.00 0.00 0.00 56.01 51.78 1o7g n LEU 690 Cb 0.60 -0.70 -0.12 0.00 0.00 0.00 0.00 43.42 43.21 1o7g n LEU 690 CO 0.18 1.40 2.00 0.23 0.00 0.00 0.00 177.39 181.19 1o7g n MET 691 N -1.03 2.26 -4.06 1.96 2.81 -1.26 -4.80 117.12 112.99 1o7g n MET 691 Ca 0.46 -1.23 -0.13 0.00 -1.81 0.00 0.00 57.70 54.99 1o7g n MET 691 Cb 1.09 -2.18 -0.11 0.00 -0.71 0.00 0.00 33.22 31.31 1o7g n MET 691 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 1o7g s VAL 692 N 1.57 0.52 -0.46 2.03 -7.23 -1.26 -5.11 120.40 110.45 1o7g s VAL 692 Ca 0.61 -1.13 -0.22 0.00 -1.81 0.00 0.00 61.98 59.43 1o7g s VAL 692 Cb 0.25 -0.66 0.03 0.00 0.56 0.00 0.00 36.38 36.56 1o7g s VAL 692 CO -0.02 -0.43 0.74 -0.36 -0.31 0.00 0.00 175.10 174.73 1o7g s PHE 693 N -1.55 3.00 -2.00 2.82 2.99 -1.26 -5.16 117.98 116.82 1o7g s PHE 693 Ca -0.09 0.01 0.30 0.00 0.00 0.00 0.00 56.93 57.15 1o7g s PHE 693 Cb -0.09 -3.59 1.77 0.00 0.00 0.00 0.00 43.02 41.11 1o7g s PHE 693 CO -0.00 -0.99 2.10 1.28 -0.00 0.00 0.00 175.22 177.61