#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ndo s ILE 503 N 0.00 4.92 -0.63 3.17 -1.09 -1.26 -5.01 121.20 121.30 1ndo s ILE 503 Ca 0.00 1.85 -0.17 0.00 -2.23 0.00 0.00 60.65 60.10 1ndo s ILE 503 Cb 0.00 -4.23 0.13 0.00 -1.58 0.00 0.00 42.46 36.79 1ndo s ILE 503 CO 0.00 0.17 0.67 0.21 -1.23 0.00 0.00 174.94 174.77 1ndo s ASN 504 N 0.95 6.30 0.00 3.58 3.84 -1.26 -4.93 114.94 123.43 1ndo s ASN 504 Ca 0.47 -1.79 0.22 0.00 0.21 0.00 0.00 52.86 51.97 1ndo s ASN 504 Cb -0.20 -2.26 1.20 0.00 -0.55 0.00 0.00 41.25 39.44 1ndo s ASN 504 CO 0.24 -0.94 1.71 2.30 -2.79 0.00 0.00 177.10 177.61 1ndo n ILE 505 N 5.20 0.19 0.06 -5.21 -5.35 -1.26 -0.34 119.36 112.65 1ndo n ILE 505 Ca -0.05 0.05 -0.11 0.00 -0.27 0.00 0.00 62.75 62.36 1ndo n ILE 505 Cb 0.43 -0.69 -0.13 0.00 -1.74 0.00 0.00 39.64 37.50 1ndo n ILE 505 CO 0.00 0.00 0.00 1.56 -1.76 0.00 0.00 176.55 176.35 1ndo h GLN 506 N 0.00 0.10 0.09 6.28 4.20 -1.95 -3.36 115.11 120.47 1ndo h GLN 506 Ca 0.00 -0.18 -0.31 0.00 0.06 0.00 0.00 58.65 58.22 1ndo h GLN 506 Cb 0.11 0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.94 1ndo h GLN 506 CO 0.00 1.00 -1.67 0.93 -0.67 0.00 0.00 178.83 178.42 1ndo h GLU 507 N 0.03 0.19 -4.71 1.46 5.08 -1.69 -3.40 114.58 111.54 1ndo h GLU 507 Ca -0.12 -0.33 -0.72 0.00 -1.00 0.00 0.00 59.36 57.19 1ndo h GLU 507 Cb 1.89 0.12 -0.13 0.00 0.50 0.00 0.00 28.75 31.13 1ndo h GLU 507 CO 0.14 1.16 1.93 -0.25 -1.00 0.00 0.00 179.01 180.99 1ndo n ASP 508 N -3.85 4.96 0.20 1.42 8.00 0.54 -4.84 116.55 122.99 1ndo n ASP 508 Ca -0.30 -2.97 0.15 0.00 0.71 0.00 0.00 54.79 52.37 1ndo n ASP 508 Cb 0.92 -1.61 0.67 0.00 -0.02 0.00 0.00 41.12 41.07 1ndo n ASP 508 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 1ndo h LYS 509 N 6.83 0.00 0.00 -1.24 1.57 -1.78 -2.25 116.57 119.70 1ndo h LYS 509 Ca 0.40 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.18 1ndo h LYS 509 Cb 0.79 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.10 1ndo h LYS 509 CO 1.46 0.00 -0.52 1.28 -0.57 0.00 0.00 179.45 181.09 1ndo n LEU 510 N -2.58 0.55 -4.73 2.94 4.77 -1.26 -4.92 117.00 111.78 1ndo n LEU 510 Ca 0.00 0.14 -0.41 0.00 -0.03 0.00 0.00 56.01 55.71 1ndo n LEU 510 Cb 0.18 -0.24 -0.04 0.00 -2.33 0.00 0.00 43.42 40.99 1ndo n LEU 510 CO 0.19 0.04 0.54 -0.69 -1.33 0.00 0.00 177.39 176.14 1ndo s VAL 511 N -3.07 4.80 0.64 4.08 1.01 -0.85 -5.06 120.40 121.95 1ndo s VAL 511 Ca 0.09 1.78 -0.11 0.00 0.00 0.00 0.00 61.98 63.74 1ndo s VAL 511 Cb 0.16 -4.19 -0.03 0.00 0.00 0.00 0.00 36.38 32.32 1ndo s VAL 511 CO 0.70 0.28 1.04 -0.94 0.00 0.00 0.00 175.10 176.17 1ndo s SER 512 N 0.43 6.02 0.17 3.32 1.04 -1.26 -4.92 113.70 118.49 1ndo s SER 512 Ca 0.43 1.47 -0.13 0.00 0.48 0.00 0.00 55.95 58.21 1ndo s SER 512 Cb -0.20 -2.48 0.06 0.00 0.10 0.00 0.00 66.02 63.50 1ndo s SER 512 CO 0.24 -1.01 1.73 0.00 0.98 0.00 0.00 173.24 175.18 1ndo h ALA 513 N -0.40 0.73 -0.56 5.32 0.00 -1.99 -1.03 119.26 121.34 1ndo h ALA 513 Ca -0.44 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.31 1ndo h ALA 513 Cb 1.20 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 1ndo h ALA 513 CO 0.61 0.33 0.35 1.25 0.00 0.00 0.00 179.25 181.79 1ndo h HIS 514 N 0.77 0.72 -0.69 0.00 -0.00 -2.00 -1.24 115.15 112.70 1ndo h HIS 514 Ca 0.19 0.01 -0.07 0.00 -0.00 0.00 0.00 60.37 60.49 1ndo h HIS 514 Cb 0.19 -0.24 -0.03 0.00 -0.00 0.00 0.00 27.41 27.33 1ndo h HIS 514 CO 0.01 0.47 0.15 -0.44 -0.00 0.00 0.00 177.93 178.12 1ndo h ASP 515 N 0.75 1.06 -0.94 3.26 3.32 -1.80 -2.37 116.42 119.70 1ndo h ASP 515 Ca 0.20 -0.24 0.03 0.00 0.02 0.00 0.00 57.03 57.03 1ndo h ASP 515 Cb -0.05 -0.28 -0.05 0.00 0.22 0.00 0.00 39.33 39.17 1ndo h ASP 515 CO -0.04 1.03 0.61 0.00 -1.72 0.00 0.00 179.24 179.12 1ndo h ALA 516 N 1.07 1.22 -0.27 3.45 0.00 -0.87 -2.68 119.26 121.19 1ndo h ALA 516 Ca 0.21 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1ndo h ALA 516 Cb 0.40 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1ndo h ALA 516 CO 0.01 0.52 0.12 0.93 0.00 0.00 0.00 179.25 180.82 1ndo h GLU 517 N 1.22 0.40 -0.79 0.00 5.08 -1.05 -2.67 114.58 116.77 1ndo h GLU 517 Ca 0.36 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.63 1ndo h GLU 517 Cb -0.05 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.09 1ndo h GLU 517 CO -0.10 0.42 0.40 0.93 -1.00 0.00 0.00 179.01 179.66 1ndo h GLU 518 N 0.30 1.11 -0.17 2.33 4.39 -1.36 -2.75 114.58 118.43 1ndo h GLU 518 Ca 0.09 -0.14 -0.13 0.00 0.34 0.00 0.00 59.36 59.52 1ndo h GLU 518 Cb 0.16 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 28.59 1ndo h GLU 518 CO -0.01 0.84 -0.46 0.97 -1.16 0.00 0.00 179.01 179.19 1ndo h ILE 519 N 1.11 1.32 -0.92 3.13 2.10 -1.35 -2.72 117.51 120.19 1ndo h ILE 519 Ca 0.27 -1.66 0.09 0.00 1.08 0.00 0.00 64.86 64.65 1ndo h ILE 519 Cb 0.07 1.69 -0.07 0.00 -1.09 0.00 0.00 36.82 37.43 1ndo h ILE 519 CO -0.04 0.51 0.59 0.25 -1.08 0.00 0.00 178.15 178.38 1ndo h LEU 520 N 0.34 0.86 -1.35 2.19 5.85 -1.18 -0.10 115.31 121.92 1ndo h LEU 520 Ca 0.02 0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.71 1ndo h LEU 520 Cb 0.94 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.80 1ndo h LEU 520 CO 0.08 0.51 -0.16 -0.09 -0.34 0.00 0.00 178.44 178.44 1ndo h ARG 521 N 0.95 0.24 0.00 1.25 2.43 -1.31 -3.29 114.38 114.64 1ndo h ARG 521 Ca 0.42 -0.06 -0.08 0.00 -0.81 0.00 0.00 59.98 59.45 1ndo h ARG 521 Cb 0.36 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.86 1ndo h ARG 521 CO -0.18 0.40 -1.92 1.19 -1.51 0.00 0.00 179.97 177.95 1ndo n PHE 522 N -4.25 0.00 0.23 2.20 3.72 -0.48 -4.41 117.46 114.48 1ndo n PHE 522 Ca -0.01 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.49 1ndo n PHE 522 Cb 0.29 -0.53 0.54 0.00 -0.94 0.00 0.00 39.48 38.84 1ndo n PHE 522 CO 0.00 0.00 0.00 0.74 -0.05 0.00 0.00 176.76 177.45 1ndo h PHE 523 N 0.00 0.00 0.00 1.38 -1.00 -1.14 -3.34 116.94 112.84 1ndo h PHE 523 Ca -0.12 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.66 1ndo h PHE 523 Cb 1.16 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.72 1ndo h PHE 523 CO 0.00 0.23 0.00 0.09 -1.61 0.00 0.00 178.31 177.02 1ndo n ASN 524 N -3.62 0.00 -4.58 2.17 3.02 -1.25 -4.81 115.26 106.19 1ndo n ASN 524 Ca -0.01 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.13 1ndo n ASN 524 Cb 0.36 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.50 1ndo n ASN 524 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ndo n HIS 526 N 11.05 3.82 -1.78 0.00 8.25 -1.26 -4.69 115.22 130.61 1ndo n HIS 526 Ca 0.21 -3.71 -0.42 0.00 -0.26 0.00 0.00 57.72 53.55 1ndo n HIS 526 Cb 0.49 -0.57 -0.03 0.00 1.12 0.00 0.00 29.99 30.99 1ndo n HIS 526 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1ndo s ASP 527 N -3.14 6.48 0.25 0.41 2.15 -1.26 -4.94 116.67 116.61 1ndo s ASP 527 Ca 0.48 2.68 -0.05 0.00 0.43 0.00 0.00 52.55 56.08 1ndo s ASP 527 Cb 0.28 -2.57 0.31 0.00 -0.30 0.00 0.00 42.92 40.64 1ndo s ASP 527 CO -0.15 -0.97 1.89 0.28 -0.17 0.00 0.00 175.17 176.05 1ndo h SER 528 N 8.44 0.99 -0.08 -0.34 0.02 -1.99 -1.42 113.55 119.17 1ndo h SER 528 Ca -0.45 -0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.37 1ndo h SER 528 Cb 1.21 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 63.52 1ndo h SER 528 CO 0.94 0.67 -0.37 0.00 -1.14 0.00 0.00 176.83 176.93 1ndo h ALA 529 N 1.39 0.86 -0.64 3.77 0.00 -2.00 -2.67 119.26 119.98 1ndo h ALA 529 Ca 0.38 -0.42 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 1ndo h ALA 529 Cb 0.04 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1ndo h ALA 529 CO -0.13 0.64 0.07 1.25 0.00 0.00 0.00 179.25 181.07 1ndo h LEU 530 N 0.49 1.06 -0.49 0.00 5.85 -1.79 -1.21 115.31 119.23 1ndo h LEU 530 Ca 0.05 -0.28 -0.02 0.00 0.84 0.00 0.00 57.88 58.47 1ndo h LEU 530 Cb 0.87 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.59 1ndo h LEU 530 CO 0.07 1.07 0.21 1.56 -0.34 0.00 0.00 178.44 181.02 1ndo h GLN 531 N 1.01 0.72 -0.27 1.25 1.08 -1.13 0.33 115.11 118.11 1ndo h GLN 531 Ca 0.19 -0.12 -0.14 0.00 -1.45 0.00 0.00 58.65 57.13 1ndo h GLN 531 Cb 0.49 -0.12 -0.00 0.00 -0.05 0.00 0.00 27.48 27.79 1ndo h GLN 531 CO 0.02 0.63 -0.39 0.37 -0.95 0.00 0.00 178.83 178.51 1ndo h GLN 532 N 0.65 0.73 0.32 1.46 4.15 -1.40 0.05 115.11 121.07 1ndo h GLN 532 Ca 0.17 -0.43 -0.01 0.00 0.77 0.00 0.00 58.65 59.14 1ndo h GLN 532 Cb 0.17 0.04 -0.00 0.00 0.21 0.00 0.00 27.48 27.89 1ndo h GLN 532 CO -0.02 1.05 -0.19 1.49 -1.93 0.00 0.00 178.83 179.24 1ndo h GLU 533 N 0.47 -0.47 -0.65 1.69 4.81 -0.87 -1.33 114.58 118.23 1ndo h GLU 533 Ca 0.03 0.03 0.12 0.00 -0.13 0.00 0.00 59.36 59.41 1ndo h GLU 533 Cb 0.98 0.11 -0.09 0.00 0.63 0.00 0.00 28.75 30.38 1ndo h GLU 533 CO 0.09 -0.31 0.20 0.00 -0.73 0.00 0.00 179.01 178.25 1ndo h ALA 534 N 0.18 0.84 -0.68 2.92 0.00 -0.12 -0.31 119.26 122.09 1ndo h ALA 534 Ca -0.03 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1ndo h ALA 534 Cb 0.40 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 1ndo h ALA 534 CO 0.04 -0.26 0.37 1.15 0.00 0.00 0.00 179.25 180.55 1ndo h THR 535 N 0.34 1.21 -0.24 0.00 2.02 -0.81 -1.28 112.91 114.15 1ndo h THR 535 Ca 0.35 -0.52 -0.04 0.00 0.77 0.00 0.00 66.41 66.97 1ndo h THR 535 Cb 0.51 0.32 -0.01 0.00 -1.74 0.00 0.00 68.15 67.24 1ndo h THR 535 CO -0.39 0.23 -0.00 0.74 0.37 0.00 0.00 175.52 176.47 1ndo h THR 536 N 0.93 1.26 -0.48 3.16 2.02 -0.51 -0.92 112.91 118.35 1ndo h THR 536 Ca 0.24 -0.90 0.05 0.00 0.77 0.00 0.00 66.41 66.57 1ndo h THR 536 Cb 0.04 1.38 -0.05 0.00 -1.74 0.00 0.00 68.15 67.78 1ndo h THR 536 CO -0.04 0.28 0.22 -0.07 0.37 0.00 0.00 175.52 176.28 1ndo h LEU 537 N 0.19 0.30 -0.34 2.58 3.38 -0.76 -1.84 115.31 118.81 1ndo h LEU 537 Ca 0.07 0.04 -0.20 0.00 0.09 0.00 0.00 57.88 57.88 1ndo h LEU 537 Cb 0.41 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 1ndo h LEU 537 CO 0.01 0.21 -0.75 -0.07 0.09 0.00 0.00 178.44 177.93 1ndo h LEU 538 N 0.44 0.59 -0.72 1.67 3.38 -1.07 -1.55 115.31 118.05 1ndo h LEU 538 Ca 0.22 -0.39 -0.12 0.00 0.09 0.00 0.00 57.88 57.67 1ndo h LEU 538 Cb 0.16 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1ndo h LEU 538 CO -0.18 1.15 -0.36 0.74 0.09 0.00 0.00 178.44 179.88 1ndo h THR 539 N 0.34 1.29 0.06 0.22 2.02 -1.12 0.58 112.91 116.30 1ndo h THR 539 Ca -0.04 -1.50 -0.27 0.00 0.77 0.00 0.00 66.41 65.38 1ndo h THR 539 Cb 1.34 1.49 0.02 0.00 -1.74 0.00 0.00 68.15 69.26 1ndo h THR 539 CO 0.14 0.47 -1.09 1.56 0.37 0.00 0.00 175.52 176.97 1ndo h GLN 540 N 0.48 0.63 -0.73 6.66 4.20 -1.26 -2.00 115.11 123.09 1ndo h GLN 540 Ca 0.05 -0.76 0.06 0.00 0.06 0.00 0.00 58.65 58.06 1ndo h GLN 540 Cb 0.85 0.23 -0.06 0.00 0.30 0.00 0.00 27.48 28.81 1ndo h GLN 540 CO 0.07 1.33 0.42 1.49 -0.67 0.00 0.00 178.83 181.48 1ndo h GLU 541 N 0.26 0.75 -0.20 1.46 4.81 -1.07 -1.47 114.58 119.12 1ndo h GLU 541 Ca -0.15 -0.05 -0.10 0.00 -0.13 0.00 0.00 59.36 58.94 1ndo h GLU 541 Cb 1.76 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 30.96 1ndo h GLU 541 CO 0.21 0.50 -0.29 0.00 -0.73 0.00 0.00 179.01 178.70 1ndo h ALA 542 N 1.37 1.13 -0.29 2.92 0.00 -0.81 -1.71 119.26 121.87 1ndo h ALA 542 Ca 0.33 -0.35 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 1ndo h ALA 542 Cb 0.19 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1ndo h ALA 542 CO -0.18 0.55 -0.03 1.25 0.00 0.00 0.00 179.25 180.84 1ndo h HIS 543 N 0.35 0.58 0.15 0.00 -0.00 -1.05 0.99 115.15 116.17 1ndo h HIS 543 Ca 0.05 -0.11 -0.01 0.00 -0.00 0.00 0.00 60.37 60.30 1ndo h HIS 543 Cb 0.69 -0.15 -0.00 0.00 -0.00 0.00 0.00 27.41 27.95 1ndo h HIS 543 CO 0.02 0.69 -0.08 -0.07 -0.00 0.00 0.00 177.93 178.49 1ndo h LEU 544 N 0.30 -0.19 -0.83 0.26 3.38 -0.88 -2.14 115.31 115.21 1ndo h LEU 544 Ca 0.08 0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.11 1ndo h LEU 544 Cb 0.48 0.05 -0.06 0.00 0.09 0.00 0.00 40.66 41.22 1ndo h LEU 544 CO 0.02 -0.13 0.52 -0.07 0.09 0.00 0.00 178.44 178.87 1ndo h LEU 545 N -0.21 0.82 -1.32 1.67 4.07 -1.23 -0.41 115.31 118.71 1ndo h LEU 545 Ca -0.02 0.01 -0.04 0.00 0.08 0.00 0.00 57.88 57.91 1ndo h LEU 545 Cb 0.17 -0.16 -0.02 0.00 1.08 0.00 0.00 40.66 41.73 1ndo h LEU 545 CO 0.03 0.54 0.01 0.44 -1.08 0.00 0.00 178.44 178.38 1ndo h ASP 546 N 0.96 0.44 -0.44 -0.43 3.32 -0.43 0.39 116.42 120.23 1ndo h ASP 546 Ca 0.35 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.33 1ndo h ASP 546 Cb 0.12 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.56 1ndo h ASP 546 CO -0.16 0.49 0.00 2.30 -1.72 0.00 0.00 179.24 180.16 1ndo n ILE 547 N -4.31 0.58 -2.96 0.35 -5.35 -0.84 -4.29 119.36 102.55 1ndo n ILE 547 Ca 0.01 -0.63 -0.15 0.00 -0.27 0.00 0.00 62.75 61.71 1ndo n ILE 547 Cb 0.22 0.41 0.04 0.00 -1.74 0.00 0.00 39.64 38.56 1ndo n ILE 547 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1ndo n GLN 548 N 0.92 -4.12 -2.15 6.28 6.02 0.13 -4.93 117.38 119.53 1ndo n GLN 548 Ca 0.17 0.59 -0.41 0.00 -0.01 0.00 0.00 57.00 57.34 1ndo n GLN 548 Cb 0.43 -4.81 -0.00 0.00 1.02 0.00 0.00 30.24 26.88 1ndo n GLN 548 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1ndo n ALA 549 N -3.46 6.27 0.05 -1.58 0.00 -0.19 -4.75 120.51 116.84 1ndo n ALA 549 Ca -0.04 -4.19 -0.01 0.00 0.00 0.00 0.00 53.44 49.19 1ndo n ALA 549 Cb 0.56 -2.82 0.27 0.00 0.00 0.00 0.00 19.45 17.46 1ndo n ALA 549 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 1ndo h TYR 550 N 5.00 0.43 -0.35 0.00 0.05 -1.91 -0.56 116.97 119.63 1ndo h TYR 550 Ca 0.58 -0.07 -0.04 0.00 0.05 0.00 0.00 58.73 59.24 1ndo h TYR 550 Cb 0.42 -0.11 -0.01 0.00 1.01 0.00 0.00 36.73 38.04 1ndo h TYR 550 CO 1.46 0.58 0.05 0.00 -1.05 0.00 0.00 178.16 179.20 1ndo h ARG 551 N 0.36 0.58 -0.51 4.88 3.08 -1.95 -1.05 114.38 119.77 1ndo h ARG 551 Ca 0.06 -0.16 -0.05 0.00 0.07 0.00 0.00 59.98 59.91 1ndo h ARG 551 Cb 0.56 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.52 1ndo h ARG 551 CO 0.04 0.66 0.13 0.00 -1.07 0.00 0.00 179.97 179.73 1ndo h ALA 552 N 0.90 1.27 -0.15 0.04 0.00 -1.92 0.21 119.26 119.60 1ndo h ALA 552 Ca 0.11 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1ndo h ALA 552 Cb 0.37 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1ndo h ALA 552 CO 0.01 0.51 0.08 2.35 0.00 0.00 0.00 179.25 182.20 1ndo h TRP 553 N 0.75 0.22 -0.53 0.00 7.01 -0.89 0.18 115.95 122.69 1ndo h TRP 553 Ca 0.17 -0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.15 1ndo h TRP 553 Cb 0.27 -0.07 -0.02 0.00 -2.10 0.00 0.00 29.16 27.23 1ndo h TRP 553 CO 0.01 0.24 0.29 1.25 -2.79 0.00 0.00 178.44 177.45 1ndo h LEU 554 N 0.13 0.65 -0.07 0.65 5.85 -0.36 -0.05 115.31 122.12 1ndo h LEU 554 Ca 0.05 -0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.66 1ndo h LEU 554 Cb 0.11 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 40.97 1ndo h LEU 554 CO -0.01 0.55 -0.07 -0.08 -0.34 0.00 0.00 178.44 178.50 1ndo h GLU 555 N 0.70 0.17 0.00 1.25 4.81 -0.47 -3.27 114.58 117.77 1ndo h GLU 555 Ca 0.19 -0.09 -0.06 0.00 -0.13 0.00 0.00 59.36 59.27 1ndo h GLU 555 Cb 0.04 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 1ndo h GLU 555 CO -0.03 0.60 -1.26 0.72 -0.73 0.00 0.00 179.01 178.31 1ndo n HIS 556 N -4.72 0.85 0.00 0.92 8.25 0.62 -4.62 115.22 116.53 1ndo n HIS 556 Ca -0.07 0.26 0.03 0.00 -0.26 0.00 0.00 57.72 57.67 1ndo n HIS 556 Cb 0.30 -0.95 -0.04 0.00 1.12 0.00 0.00 29.99 30.42 1ndo n HIS 556 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ndo s VAL 558 N -2.35 4.13 0.52 0.00 1.01 -1.13 0.14 120.40 122.72 1ndo s VAL 558 Ca -0.02 -0.28 -0.13 0.00 0.00 0.00 0.00 61.98 61.55 1ndo s VAL 558 Cb 0.03 -2.81 -0.06 0.00 0.00 0.00 0.00 36.38 33.54 1ndo s VAL 558 CO 0.22 0.51 0.94 -0.83 0.00 0.00 0.00 175.10 175.94 1ndo s GLY 559 N 0.15 1.89 0.52 4.51 0.00 0.15 -4.76 107.32 109.78 1ndo s GLY 559 Ca 0.00 -0.02 0.30 0.00 0.00 0.00 0.00 44.72 45.01 1ndo s GLY 559 CO 0.02 0.23 1.93 1.48 0.00 0.00 0.00 173.10 176.77 1ndo h SER 560 N 0.60 0.00 -0.57 1.64 4.64 -1.95 -1.79 113.55 116.12 1ndo h SER 560 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1ndo h SER 560 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1ndo h SER 560 CO 0.62 0.07 0.00 -0.62 -0.87 0.00 0.00 176.83 176.03 1ndo n GLU 561 N -3.20 2.51 -1.59 4.77 4.71 -1.26 -4.53 120.64 122.06 1ndo n GLU 561 Ca 0.00 -2.13 -0.44 0.00 -0.01 0.00 0.00 57.16 54.59 1ndo n GLU 561 Cb 0.35 -1.51 -0.01 0.00 -1.01 0.00 0.00 31.44 29.25 1ndo n GLU 561 CO 0.00 0.00 0.00 1.55 0.09 0.00 0.00 177.13 178.77 1ndo n VAL 562 N 1.13 2.06 -3.95 2.62 3.14 -0.68 -4.90 118.33 117.76 1ndo n VAL 562 Ca 0.20 -0.50 -0.34 0.00 -2.96 0.00 0.00 64.34 60.73 1ndo n VAL 562 Cb 0.54 -1.01 -0.14 0.00 -1.06 0.00 0.00 33.84 32.17 1ndo n VAL 562 CO 0.00 0.00 0.00 -1.58 -6.46 0.00 0.00 176.83 168.79 1ndo s GLN 563 N -1.65 2.41 -0.55 1.45 0.74 -0.60 -4.18 119.66 117.28 1ndo s GLN 563 Ca 0.60 -1.27 -0.09 0.00 0.05 0.00 0.00 55.36 54.65 1ndo s GLN 563 Cb -0.66 -3.09 0.14 0.00 1.10 0.00 0.00 33.01 30.49 1ndo s GLN 563 CO 0.59 -0.59 0.43 -0.47 -0.55 0.00 0.00 175.29 174.70 1ndo s TYR 564 N 1.22 3.47 -0.06 1.67 5.04 -0.52 -1.01 117.35 127.16 1ndo s TYR 564 Ca -0.06 -2.02 0.05 0.00 -2.44 0.00 0.00 57.07 52.59 1ndo s TYR 564 Cb -0.20 -3.50 -0.00 0.00 0.35 0.00 0.00 41.96 38.61 1ndo s TYR 564 CO -0.02 -0.97 -0.20 -1.14 -1.34 0.00 0.00 175.55 171.88 1ndo s GLN 565 N 0.95 2.20 -0.13 4.97 0.74 -0.12 -1.05 119.66 127.22 1ndo s GLN 565 Ca 0.09 -0.72 0.01 0.00 0.05 0.00 0.00 55.36 54.79 1ndo s GLN 565 Cb -0.23 -1.83 0.02 0.00 1.10 0.00 0.00 33.01 32.07 1ndo s GLN 565 CO -0.02 0.26 -0.13 0.08 -0.55 0.00 0.00 175.29 174.93 1ndo s VAL 566 N 0.08 1.39 0.29 1.34 1.01 -0.40 -1.40 120.40 122.70 1ndo s VAL 566 Ca -0.07 -0.53 0.08 0.00 0.00 0.00 0.00 61.98 61.45 1ndo s VAL 566 Cb -0.14 -1.31 -0.04 0.00 0.00 0.00 0.00 36.38 34.89 1ndo s VAL 566 CO 0.04 0.43 0.17 0.27 0.00 0.00 0.00 175.10 176.00 1ndo s ILE 567 N 1.39 3.76 -0.14 2.22 -4.36 0.86 0.23 121.20 125.16 1ndo s ILE 567 Ca 0.01 -1.55 0.00 0.00 -0.26 0.00 0.00 60.65 58.85 1ndo s ILE 567 Cb -0.13 -3.16 0.02 0.00 1.25 0.00 0.00 42.46 40.44 1ndo s ILE 567 CO -0.07 -0.28 -0.13 -0.55 0.24 0.00 0.00 174.94 174.15 1ndo s SER 568 N -3.85 2.62 -0.19 4.36 0.15 -0.63 -1.60 113.70 114.57 1ndo s SER 568 Ca 0.35 -0.47 -0.12 0.00 0.70 0.00 0.00 55.95 56.42 1ndo s SER 568 Cb -0.06 -1.13 -0.05 0.00 -1.71 0.00 0.00 66.02 63.08 1ndo s SER 568 CO 0.24 -0.07 0.22 -0.60 1.20 0.00 0.00 173.24 174.23 1ndo s ARG 569 N 1.52 4.19 0.47 5.44 3.52 -1.26 -1.83 118.95 130.99 1ndo s ARG 569 Ca 0.05 -0.08 -0.24 0.00 -0.13 0.00 0.00 55.73 55.33 1ndo s ARG 569 Cb -0.13 -3.46 -0.07 0.00 -1.56 0.00 0.00 34.95 29.73 1ndo s ARG 569 CO -0.10 0.19 1.35 -2.00 -0.81 0.00 0.00 175.30 173.93 1ndo s GLU 570 N 0.64 3.60 -0.14 5.12 2.12 0.35 -4.93 118.70 125.47 1ndo s GLU 570 Ca 0.12 2.24 -0.27 0.00 0.36 0.00 0.00 54.97 57.41 1ndo s GLU 570 Cb -0.13 -2.54 -0.01 0.00 0.26 0.00 0.00 34.13 31.71 1ndo s GLU 570 CO 0.02 -0.82 0.92 -0.51 -0.54 0.00 0.00 175.26 174.34 1ndo s LEU 571 N -2.91 4.21 0.11 2.70 1.02 -1.26 -4.97 118.68 117.57 1ndo s LEU 571 Ca 0.63 1.35 0.04 0.00 0.02 0.00 0.00 54.13 56.18 1ndo s LEU 571 Cb -0.40 -3.40 -0.04 0.00 0.02 0.00 0.00 46.19 42.37 1ndo s LEU 571 CO 0.50 -0.43 -0.10 -0.13 0.02 0.00 0.00 176.35 176.21 1ndo s ARG 572 N 2.12 0.91 0.32 1.70 1.81 -1.26 -5.12 118.95 119.43 1ndo s ARG 572 Ca 0.43 -1.25 -0.29 0.00 -1.72 0.00 0.00 55.73 52.90 1ndo s ARG 572 Cb -0.17 -0.56 -0.13 0.00 -0.45 0.00 0.00 34.95 33.64 1ndo s ARG 572 CO 0.15 0.08 1.31 0.00 -0.68 0.00 0.00 175.30 176.15 1ndo n ALA 573 N 0.32 1.24 0.14 2.13 0.00 -1.26 -4.87 120.51 118.21 1ndo n ALA 573 Ca -0.14 0.37 0.05 0.00 0.00 0.00 0.00 53.44 53.72 1ndo n ALA 573 Cb 0.59 -2.25 0.50 0.00 0.00 0.00 0.00 19.45 18.29 1ndo n ALA 573 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ndo h ALA 574 N 2.88 1.77 -0.12 0.00 0.00 -2.04 -1.80 119.26 119.94 1ndo h ALA 574 Ca -0.46 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1ndo h ALA 574 Cb 1.28 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1ndo h ALA 574 CO 0.65 0.18 0.00 -1.13 0.00 0.00 0.00 179.25 178.95 1ndo n SER 575 N -4.44 1.43 -4.71 0.00 3.41 -1.26 -4.95 113.62 103.09 1ndo n SER 575 Ca -0.01 -1.63 -0.42 0.00 -0.26 0.00 0.00 58.87 56.56 1ndo n SER 575 Cb 0.13 -0.08 -0.03 0.00 -0.26 0.00 0.00 64.21 63.98 1ndo n SER 575 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1ndo s GLU 576 N -1.85 4.13 0.00 4.33 2.56 -0.68 -4.87 118.70 122.31 1ndo s GLU 576 Ca 0.33 2.61 0.00 0.00 0.00 0.00 0.00 54.97 57.91 1ndo s GLU 576 Cb 0.18 -3.23 0.00 0.00 2.00 0.00 0.00 34.13 33.08 1ndo s GLU 576 CO 0.27 -0.78 0.00 0.54 -0.56 0.00 0.00 175.26 174.73 1ndo n ARG 577 N 4.49 3.05 -0.12 4.30 1.74 -1.26 -4.92 116.66 123.94 1ndo n ARG 577 Ca 0.16 0.00 -0.25 0.00 -0.77 0.00 0.00 57.85 56.99 1ndo n ARG 577 Cb 0.36 -0.64 -0.11 0.00 -1.02 0.00 0.00 32.46 31.05 1ndo n ARG 577 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1ndo n ARG 578 N -0.72 0.61 -1.81 5.56 1.74 -1.26 -4.93 116.66 115.85 1ndo n ARG 578 Ca 0.00 0.33 -0.43 0.00 -0.77 0.00 0.00 57.85 56.98 1ndo n ARG 578 Cb 0.00 -1.58 -0.03 0.00 -1.02 0.00 0.00 32.46 29.83 1ndo n ARG 578 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 1ndo s TYR 579 N -2.48 1.54 -0.07 -1.55 5.04 -1.26 -4.88 117.35 113.69 1ndo s TYR 579 Ca -0.34 0.16 0.15 0.00 -2.44 0.00 0.00 57.07 54.60 1ndo s TYR 579 Cb 0.11 -4.06 0.29 0.00 0.35 0.00 0.00 41.96 38.66 1ndo s TYR 579 CO 0.56 -4.26 1.13 1.63 -1.34 0.00 0.00 175.55 173.28 1ndo n LYS 580 N 7.90 0.58 -1.26 4.97 5.02 -1.26 -5.07 118.16 129.04 1ndo n LYS 580 Ca 0.22 -2.14 -0.29 0.00 -2.02 0.00 0.00 58.31 54.08 1ndo n LYS 580 Cb 0.44 -0.76 0.15 0.00 -0.02 0.00 0.00 35.03 34.84 1ndo n LYS 580 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1ndo s LEU 581 N -1.24 1.97 -0.24 -0.35 1.02 -1.26 -4.82 118.68 113.75 1ndo s LEU 581 Ca 0.26 1.28 -0.36 0.00 0.02 0.00 0.00 54.13 55.33 1ndo s LEU 581 Cb 0.27 -3.60 -0.17 0.00 0.02 0.00 0.00 46.19 42.71 1ndo s LEU 581 CO -0.07 -2.79 1.14 0.59 0.02 0.00 0.00 176.35 175.24 1ndo n ASN 582 N -3.96 0.59 0.04 2.29 5.03 -1.26 -4.86 115.26 113.13 1ndo n ASN 582 Ca 0.06 0.97 -0.06 0.00 0.87 0.00 0.00 54.58 56.42 1ndo n ASN 582 Cb 0.57 -0.74 -0.11 0.00 -1.02 0.00 0.00 39.78 38.47 1ndo n ASN 582 CO 0.00 0.00 0.00 -0.33 -1.83 0.00 0.00 177.26 175.10 1ndo h GLU 583 N 3.45 0.00 -3.60 3.52 5.08 -1.97 -3.47 114.58 117.59 1ndo h GLU 583 Ca -0.39 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 57.88 1ndo h GLU 583 Cb 1.15 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 30.25 1ndo h GLU 583 CO 0.70 0.79 -0.34 0.00 -1.00 0.00 0.00 179.01 179.16 1ndo s ALA 584 N -2.71 -0.40 0.23 3.43 0.00 -1.26 -0.49 121.76 120.55 1ndo s ALA 584 Ca -0.00 -0.35 0.10 0.00 0.00 0.00 0.00 51.96 51.71 1ndo s ALA 584 Cb 0.09 0.40 -0.05 0.00 0.00 0.00 0.00 23.12 23.56 1ndo s ALA 584 CO 0.81 -0.45 -0.19 0.00 0.00 0.00 0.00 175.76 175.93 1ndo s MET 585 N -3.16 1.50 -0.27 0.00 0.23 -0.76 -4.97 119.30 111.87 1ndo s MET 585 Ca -0.01 -1.62 -0.14 0.00 -1.03 0.00 0.00 55.69 52.89 1ndo s MET 585 Cb 0.02 -1.57 -0.04 0.00 -1.53 0.00 0.00 34.83 31.70 1ndo s MET 585 CO -0.07 0.30 0.34 -0.80 -2.03 0.00 0.00 175.02 172.76 1ndo s ASN 586 N -3.15 6.22 0.07 -1.18 0.01 -1.26 -1.60 114.94 114.05 1ndo s ASN 586 Ca 0.24 0.25 -0.15 0.00 -0.71 0.00 0.00 52.86 52.49 1ndo s ASN 586 Cb -0.05 -2.19 -0.21 0.00 0.41 0.00 0.00 41.25 39.21 1ndo s ASN 586 CO 0.11 -0.15 1.20 0.58 -1.51 0.00 0.00 177.10 177.33 1ndo h VAL 587 N 5.35 1.31 -4.03 1.60 2.07 -0.54 -3.44 116.25 118.57 1ndo h VAL 587 Ca -0.33 -2.12 -0.40 0.00 0.82 0.00 0.00 66.70 64.67 1ndo h VAL 587 Cb 1.17 2.31 -0.26 0.00 -1.52 0.00 0.00 31.29 32.99 1ndo h VAL 587 CO 0.63 0.65 -0.78 -0.31 0.02 0.00 0.00 177.57 177.79 1ndo s TYR 588 N -3.42 0.96 -0.45 1.57 2.02 -0.97 -4.93 117.35 112.12 1ndo s TYR 588 Ca -0.11 -0.27 0.07 0.00 -0.37 0.00 0.00 57.07 56.39 1ndo s TYR 588 Cb 0.07 -0.59 0.30 0.00 -0.40 0.00 0.00 41.96 41.33 1ndo s TYR 588 CO 0.89 -0.01 0.99 -1.71 -1.57 0.00 0.00 175.55 174.14 1ndo n ASN 589 N 2.35 -1.98 -4.90 2.29 5.15 -1.19 -1.28 115.26 115.70 1ndo n ASN 589 Ca -0.16 -3.48 -0.33 0.00 -0.60 0.00 0.00 54.58 50.01 1ndo n ASN 589 Cb 0.56 1.48 -0.05 0.00 -0.53 0.00 0.00 39.78 41.24 1ndo n ASN 589 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 1ndo s GLU 590 N -0.02 3.43 0.51 1.20 0.41 -0.22 -4.90 118.70 119.11 1ndo s GLU 590 Ca 0.27 -0.32 0.07 0.00 -0.41 0.00 0.00 54.97 54.58 1ndo s GLU 590 Cb 0.28 -3.09 0.09 0.00 -1.78 0.00 0.00 34.13 29.62 1ndo s GLU 590 CO -0.11 0.68 0.71 0.27 -0.49 0.00 0.00 175.26 176.32 1ndo n ASN 591 N 0.96 1.66 -0.30 -0.19 0.23 -1.26 -1.44 115.26 114.91 1ndo n ASN 591 Ca -0.11 -2.23 -0.05 0.00 -0.53 0.00 0.00 54.58 51.66 1ndo n ASN 591 Cb 0.53 -0.39 0.07 0.00 -2.08 0.00 0.00 39.78 37.90 1ndo n ASN 591 CO 0.00 0.00 0.00 0.15 -0.93 0.00 0.00 177.26 176.48 1ndo h PHE 592 N -0.04 1.15 -0.39 -2.53 3.57 -1.80 -0.26 116.94 116.64 1ndo h PHE 592 Ca -0.24 -0.04 -0.13 0.00 3.53 0.00 0.00 57.97 61.09 1ndo h PHE 592 Cb 1.05 -0.36 -0.01 0.00 2.79 0.00 0.00 35.95 39.42 1ndo h PHE 592 CO 0.00 0.82 -0.28 1.96 -2.23 0.00 0.00 178.31 178.57 1ndo h GLN 593 N 1.14 0.83 -0.63 1.11 1.08 -1.94 -1.40 115.11 115.30 1ndo h GLN 593 Ca 0.28 -0.37 -0.04 0.00 -1.45 0.00 0.00 58.65 57.07 1ndo h GLN 593 Cb 0.08 -0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 27.46 1ndo h GLN 593 CO -0.04 1.01 0.24 1.96 -0.95 0.00 0.00 178.83 181.04 1ndo h GLN 594 N 0.71 0.93 -0.70 1.46 4.20 -1.69 -1.58 115.11 118.44 1ndo h GLN 594 Ca 0.08 -0.16 -0.05 0.00 0.06 0.00 0.00 58.65 58.59 1ndo h GLN 594 Cb 0.83 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 28.42 1ndo h GLN 594 CO 0.07 0.78 0.26 -0.07 -0.67 0.00 0.00 178.83 179.20 1ndo h LEU 595 N 0.92 0.98 -0.74 1.46 3.38 -0.79 -2.12 115.31 118.39 1ndo h LEU 595 Ca 0.21 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 1ndo h LEU 595 Cb 0.20 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 1ndo h LEU 595 CO -0.02 0.90 0.36 0.11 0.09 0.00 0.00 178.44 179.89 1ndo h LYS 596 N 1.01 1.07 -0.74 1.13 1.57 -0.92 0.15 116.57 119.84 1ndo h LYS 596 Ca 0.23 -0.16 0.03 0.00 -1.87 0.00 0.00 60.65 58.88 1ndo h LYS 596 Cb 0.24 -0.19 -0.05 0.00 0.08 0.00 0.00 32.23 32.31 1ndo h LYS 596 CO -0.02 0.84 0.46 0.28 -0.57 0.00 0.00 179.45 180.44 1ndo h VAL 597 N 1.04 1.10 -0.40 0.50 2.07 -0.68 0.11 116.25 120.00 1ndo h VAL 597 Ca 0.26 -0.31 -0.08 0.00 0.82 0.00 0.00 66.70 67.38 1ndo h VAL 597 Cb 0.12 0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 29.99 1ndo h VAL 597 CO -0.03 0.17 -0.08 0.03 0.02 0.00 0.00 177.57 177.67 1ndo h ARG 598 N 0.91 0.68 -0.39 1.57 3.08 -0.60 0.39 114.38 120.03 1ndo h ARG 598 Ca 0.30 -0.20 -0.14 0.00 0.07 0.00 0.00 59.98 60.00 1ndo h ARG 598 Cb 0.02 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 1ndo h ARG 598 CO -0.11 0.76 -0.30 0.28 -1.07 0.00 0.00 179.97 179.53 1ndo h VAL 599 N 0.63 1.28 -0.37 2.04 2.07 -0.47 -1.33 116.25 120.09 1ndo h VAL 599 Ca 0.11 -1.47 -0.02 0.00 0.82 0.00 0.00 66.70 66.15 1ndo h VAL 599 Cb 0.52 1.36 -0.02 0.00 -1.52 0.00 0.00 31.29 31.63 1ndo h VAL 599 CO 0.03 0.49 0.16 -0.33 0.02 0.00 0.00 177.57 177.94 1ndo h GLU 600 N 0.70 0.54 -0.67 1.57 4.39 -0.47 -1.45 114.58 119.20 1ndo h GLU 600 Ca 0.07 -0.09 0.03 0.00 0.34 0.00 0.00 59.36 59.71 1ndo h GLU 600 Cb 0.89 -0.09 -0.04 0.00 -0.10 0.00 0.00 28.75 29.41 1ndo h GLU 600 CO 0.08 0.51 0.45 1.25 -1.16 0.00 0.00 179.01 180.13 1ndo h HIS 601 N 0.45 0.79 -0.54 4.33 2.76 -0.65 -1.44 115.15 120.86 1ndo h HIS 601 Ca 0.12 0.02 -0.08 0.00 -2.20 0.00 0.00 60.37 58.23 1ndo h HIS 601 Cb 0.16 -0.27 -0.02 0.00 1.55 0.00 0.00 27.41 28.83 1ndo h HIS 601 CO -0.01 0.47 0.00 1.96 -1.30 0.00 0.00 177.93 179.06 1ndo h GLN 602 N 0.83 0.91 -0.01 5.26 1.08 -0.38 -3.17 115.11 119.63 1ndo h GLN 602 Ca 0.26 -0.26 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1ndo h GLN 602 Cb 0.03 -0.10 0.00 0.00 -0.05 0.00 0.00 27.48 27.36 1ndo h GLN 602 CO -0.07 0.90 -0.28 1.28 -0.95 0.00 0.00 178.83 179.71 1ndo n LEU 603 N -4.20 1.31 -4.74 1.46 4.77 -0.63 -4.89 117.00 110.09 1ndo n LEU 603 Ca 0.03 -0.40 -0.41 0.00 -0.03 0.00 0.00 56.01 55.19 1ndo n LEU 603 Cb 0.32 -0.08 -0.03 0.00 -2.33 0.00 0.00 43.42 41.30 1ndo n LEU 603 CO 0.43 0.24 1.02 -0.62 -1.33 0.00 0.00 177.39 177.13 1ndo s ASP 604 N -2.45 6.83 0.00 -1.43 -1.08 -0.58 -4.89 116.67 113.06 1ndo s ASP 604 Ca 0.24 2.47 0.19 0.00 -0.52 0.00 0.00 52.55 54.92 1ndo s ASP 604 Cb 0.19 -2.61 0.79 0.00 -1.46 0.00 0.00 42.92 39.83 1ndo s ASP 604 CO 0.51 -0.58 1.59 -0.81 0.52 0.00 0.00 175.17 176.41 1ndo n PRO 605 N 2.64 0.00 -0.56 4.34 -0.04 -1.26 -1.26 135.00 138.86 1ndo n PRO 605 Ca 0.07 0.18 0.10 0.00 -0.04 0.00 0.00 63.50 63.81 1ndo n PRO 605 Cb 0.42 -1.50 0.35 0.00 -0.04 0.00 0.00 33.50 32.73 1ndo n PRO 605 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1ndo n GLN 606 N -1.50 3.52 -2.53 0.54 6.02 -1.26 -4.70 117.38 117.48 1ndo n GLN 606 Ca 0.05 -2.85 -0.41 0.00 -0.01 0.00 0.00 57.00 53.78 1ndo n GLN 606 Cb 0.22 -1.82 -0.02 0.00 1.02 0.00 0.00 30.24 29.63 1ndo n GLN 606 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 1ndo s ASN 607 N -0.93 6.51 0.46 1.08 3.84 -0.39 -4.82 114.94 120.69 1ndo s ASN 607 Ca 0.51 -1.81 0.16 0.00 0.21 0.00 0.00 52.86 51.92 1ndo s ASN 607 Cb 0.31 -2.57 1.11 0.00 -0.55 0.00 0.00 41.25 39.55 1ndo s ASN 607 CO 0.27 -1.49 2.01 -0.50 -2.79 0.00 0.00 177.10 174.59 1ndo h TRP 608 N 8.99 0.32 0.00 0.43 4.06 -1.87 -2.14 115.95 125.74 1ndo h TRP 608 Ca 0.29 0.01 0.00 0.00 2.06 0.00 0.00 58.89 61.25 1ndo h TRP 608 Cb 0.95 -0.10 0.00 0.00 -1.00 0.00 0.00 29.16 29.01 1ndo h TRP 608 CO 1.33 0.16 0.00 0.41 -3.56 0.00 0.00 178.44 176.78 1ndo n GLY 609 N -1.54 -0.91 1.58 1.49 0.00 -1.26 -1.97 105.19 102.58 1ndo n GLY 609 Ca 0.08 -0.07 0.09 0.00 0.00 0.00 0.00 46.02 46.13 1ndo n GLY 609 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ndo n ASN 610 N -1.37 4.70 -4.15 1.61 3.02 -0.80 -4.83 115.26 113.43 1ndo n ASN 610 Ca 0.06 -2.42 -0.33 0.00 -0.03 0.00 0.00 54.58 51.87 1ndo n ASN 610 Cb 0.15 -0.58 -0.16 0.00 -0.61 0.00 0.00 39.78 38.58 1ndo n ASN 610 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1ndo s SER 611 N -0.89 3.11 0.68 6.41 0.15 -0.83 -2.80 113.70 119.52 1ndo s SER 611 Ca 0.51 -0.62 -0.17 0.00 0.70 0.00 0.00 55.95 56.37 1ndo s SER 611 Cb 0.32 -1.45 0.01 0.00 -1.71 0.00 0.00 66.02 63.19 1ndo s SER 611 CO 0.25 0.05 1.25 -2.16 1.20 0.00 0.00 173.24 173.83 1ndo s PRO 612 N 0.97 2.42 0.30 5.44 0.04 -1.26 -5.04 135.00 137.86 1ndo s PRO 612 Ca -0.03 1.91 -0.28 0.00 0.04 0.00 0.00 61.00 62.63 1ndo s PRO 612 Cb -0.15 -1.85 -0.14 0.00 0.04 0.00 0.00 34.50 32.41 1ndo s PRO 612 CO -0.05 -1.66 1.08 1.17 0.04 0.00 0.00 177.00 177.58 1ndo n LYS 613 N -2.22 1.53 -1.58 4.56 4.81 -1.12 -4.81 118.16 119.33 1ndo n LYS 613 Ca 0.15 0.54 -0.31 0.00 -0.87 0.00 0.00 58.31 57.82 1ndo n LYS 613 Cb 0.49 -1.96 0.06 0.00 0.02 0.00 0.00 35.03 33.64 1ndo n LYS 613 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1ndo s LEU 614 N 0.12 2.94 -0.11 3.14 1.02 -1.26 -4.86 118.68 119.67 1ndo s LEU 614 Ca 0.58 1.49 0.02 0.00 0.02 0.00 0.00 54.13 56.24 1ndo s LEU 614 Cb -0.67 -4.27 0.01 0.00 0.02 0.00 0.00 46.19 41.28 1ndo s LEU 614 CO 0.60 -1.61 -0.16 -0.13 0.02 0.00 0.00 176.35 175.07 1ndo s ARG 615 N -5.10 2.32 -0.03 1.70 1.81 -0.51 -5.01 118.95 114.14 1ndo s ARG 615 Ca 0.59 -0.60 0.07 0.00 -1.72 0.00 0.00 55.73 54.06 1ndo s ARG 615 Cb -0.14 -1.93 -0.02 0.00 -0.45 0.00 0.00 34.95 32.41 1ndo s ARG 615 CO 0.55 -0.03 -0.23 -0.06 -0.68 0.00 0.00 175.30 174.85 1ndo s PHE 616 N 0.88 2.12 -0.05 -0.53 0.08 -1.26 -0.94 117.98 118.28 1ndo s PHE 616 Ca -0.09 -0.45 -0.02 0.00 0.12 0.00 0.00 56.93 56.49 1ndo s PHE 616 Cb -0.15 -1.37 0.04 0.00 -0.57 0.00 0.00 43.02 40.96 1ndo s PHE 616 CO -0.00 -0.07 0.09 0.99 -0.10 0.00 0.00 175.22 176.13 1ndo s THR 617 N -0.46 -0.15 -0.06 0.64 2.01 -0.44 -4.78 115.64 112.41 1ndo s THR 617 Ca 0.06 0.37 0.03 0.00 0.31 0.00 0.00 61.69 62.47 1ndo s THR 617 Cb -0.10 -0.19 -0.02 0.00 0.01 0.00 0.00 72.50 72.20 1ndo s THR 617 CO -0.00 0.16 -0.14 -0.13 -0.69 0.00 0.00 174.62 173.81 1ndo s ARG 618 N 2.03 2.57 -0.26 4.92 0.52 -1.26 -1.19 118.95 126.28 1ndo s ARG 618 Ca 0.02 -0.70 0.02 0.00 -0.52 0.00 0.00 55.73 54.56 1ndo s ARG 618 Cb -0.12 -2.39 0.06 0.00 0.52 0.00 0.00 34.95 33.02 1ndo s ARG 618 CO -0.04 0.59 -0.07 -0.06 0.02 0.00 0.00 175.30 175.74 1ndo s PHE 619 N -0.64 2.97 -0.20 -0.53 0.40 0.02 -5.00 117.98 115.00 1ndo s PHE 619 Ca 0.10 -2.17 -0.07 0.00 -0.60 0.00 0.00 56.93 54.19 1ndo s PHE 619 Cb -0.11 -1.89 -0.03 0.00 0.51 0.00 0.00 43.02 41.50 1ndo s PHE 619 CO 0.01 -0.85 0.04 0.42 0.70 0.00 0.00 175.22 175.54 1ndo s ILE 620 N 1.20 4.43 0.32 0.64 -1.09 -1.26 -1.59 121.20 123.85 1ndo s ILE 620 Ca -0.06 -0.15 0.07 0.00 -2.23 0.00 0.00 60.65 58.28 1ndo s ILE 620 Cb -0.19 -3.01 -0.03 0.00 -1.58 0.00 0.00 42.46 37.65 1ndo s ILE 620 CO -0.06 0.43 0.27 0.42 -1.23 0.00 0.00 174.94 174.76 1ndo s THR 621 N 0.77 0.02 -1.46 2.92 -4.23 0.31 -4.93 115.64 109.03 1ndo s THR 621 Ca 0.02 -2.00 -0.09 0.00 -1.18 0.00 0.00 61.69 58.44 1ndo s THR 621 Cb -0.14 -2.49 0.04 0.00 1.34 0.00 0.00 72.50 71.25 1ndo s THR 621 CO 0.02 0.00 0.80 0.59 -0.54 0.00 0.00 174.62 175.49 1ndo n ASN 622 N -1.46 -5.40 -4.70 3.99 4.13 -1.26 -1.16 115.26 109.40 1ndo n ASN 622 Ca 0.07 -0.48 -0.42 0.00 1.68 0.00 0.00 54.58 55.43 1ndo n ASN 622 Cb 0.63 -4.33 -0.03 0.00 -1.54 0.00 0.00 39.78 34.50 1ndo n ASN 622 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1ndo s VAL 623 N -3.19 3.36 -0.04 2.41 1.01 -1.26 -4.35 120.40 118.34 1ndo s VAL 623 Ca 0.47 0.86 0.04 0.00 0.00 0.00 0.00 61.98 63.36 1ndo s VAL 623 Cb -0.23 -3.55 -0.00 0.00 0.00 0.00 0.00 36.38 32.60 1ndo s VAL 623 CO 0.58 0.02 -0.15 -1.10 0.00 0.00 0.00 175.10 174.45 1ndo s GLN 624 N 1.96 1.57 -0.01 2.72 -0.21 0.08 -5.00 119.66 120.76 1ndo s GLN 624 Ca 0.67 -0.54 0.04 0.00 0.02 0.00 0.00 55.36 55.54 1ndo s GLN 624 Cb -0.36 -1.39 -0.01 0.00 1.00 0.00 0.00 33.01 32.25 1ndo s GLN 624 CO 0.29 0.23 -0.13 0.00 -2.12 0.00 0.00 175.29 173.56 1ndo s ALA 625 N 0.02 1.12 -0.19 6.09 0.00 -1.26 -1.32 121.76 126.23 1ndo s ALA 625 Ca -0.03 -0.56 -0.11 0.00 0.00 0.00 0.00 51.96 51.26 1ndo s ALA 625 Cb -0.10 -0.31 0.06 0.00 0.00 0.00 0.00 23.12 22.77 1ndo s ALA 625 CO 0.01 0.26 0.47 0.00 0.00 0.00 0.00 175.76 176.50 1ndo s ALA 626 N -0.23 -1.21 0.38 0.00 0.00 0.21 -4.72 121.76 116.20 1ndo s ALA 626 Ca 0.04 1.68 -0.27 0.00 0.00 0.00 0.00 51.96 53.41 1ndo s ALA 626 Cb -0.06 -1.01 -0.09 0.00 0.00 0.00 0.00 23.12 21.96 1ndo s ALA 626 CO -0.00 -0.28 1.31 -1.64 0.00 0.00 0.00 175.76 175.15 1ndo s MET 627 N 1.37 4.08 0.41 0.00 -1.94 -1.26 -0.81 119.30 121.15 1ndo s MET 627 Ca -0.09 2.20 -0.26 0.00 -1.71 0.00 0.00 55.69 55.83 1ndo s MET 627 Cb -0.07 -2.85 -0.08 0.00 2.01 0.00 0.00 34.83 33.83 1ndo s MET 627 CO -0.13 -0.41 1.25 0.34 -0.01 0.00 0.00 175.02 176.06 1ndo s ASP 628 N -0.64 6.36 0.13 3.03 2.15 -0.17 -4.86 116.67 122.68 1ndo s ASP 628 Ca 0.54 2.53 -0.14 0.00 0.43 0.00 0.00 52.55 55.91 1ndo s ASP 628 Cb -0.39 -2.63 -0.00 0.00 -0.30 0.00 0.00 42.92 39.60 1ndo s ASP 628 CO 0.51 -0.80 1.61 0.58 -0.17 0.00 0.00 175.17 176.90 1ndo h VAL 629 N 2.38 1.25 0.04 1.11 2.07 -1.94 -3.36 116.25 117.79 1ndo h VAL 629 Ca -0.49 -0.90 -0.25 0.00 0.82 0.00 0.00 66.70 65.88 1ndo h VAL 629 Cb 1.24 0.99 -0.03 0.00 -1.52 0.00 0.00 31.29 31.98 1ndo h VAL 629 CO 0.62 0.31 -1.35 0.78 0.02 0.00 0.00 177.57 177.95 1ndo h ASN 630 N 0.58 0.12 -3.11 0.57 2.35 -1.97 -3.43 115.58 110.68 1ndo h ASN 630 Ca 0.13 -0.65 -0.72 0.00 -0.55 0.00 0.00 56.30 54.50 1ndo h ASN 630 Cb 0.39 -0.04 -0.21 0.00 0.05 0.00 0.00 38.32 38.51 1ndo h ASN 630 CO 0.01 1.55 -0.09 -0.62 -1.65 0.00 0.00 177.43 176.63 1ndo s ASP 631 N -6.88 6.18 0.00 5.81 -1.08 -1.26 -4.92 116.67 114.53 1ndo s ASP 631 Ca -0.26 -1.41 0.19 0.00 -0.52 0.00 0.00 52.55 50.55 1ndo s ASP 631 Cb 0.05 -2.25 0.97 0.00 -1.46 0.00 0.00 42.92 40.24 1ndo s ASP 631 CO 0.65 -0.89 1.60 2.29 0.52 0.00 0.00 175.17 179.33 1ndo n LYS 632 N 5.74 0.27 0.00 4.34 2.85 -1.26 -1.13 118.16 128.98 1ndo n LYS 632 Ca -0.11 0.10 0.12 0.00 -1.05 0.00 0.00 58.31 57.37 1ndo n LYS 632 Cb 0.43 -1.50 0.15 0.00 -0.65 0.00 0.00 35.03 33.46 1ndo n LYS 632 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1ndo n GLU 633 N -1.29 1.23 -3.58 -1.58 -0.58 -1.26 -4.90 120.64 108.68 1ndo n GLU 633 Ca 0.09 -0.93 -0.39 0.00 -0.42 0.00 0.00 57.16 55.51 1ndo n GLU 633 Cb 0.15 -1.48 -0.11 0.00 -0.57 0.00 0.00 31.44 29.43 1ndo n GLU 633 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 1ndo s LEU 634 N -2.41 4.30 -0.25 -4.62 2.96 -0.28 -2.79 118.68 115.58 1ndo s LEU 634 Ca 0.22 -0.39 -0.08 0.00 -0.22 0.00 0.00 54.13 53.66 1ndo s LEU 634 Cb 0.19 -2.09 -0.04 0.00 0.50 0.00 0.00 46.19 44.75 1ndo s LEU 634 CO 0.52 -0.19 0.11 -0.22 -1.32 0.00 0.00 176.35 175.24 1ndo s LEU 635 N 1.69 3.69 -0.27 -0.68 2.96 0.54 -1.00 118.68 125.61 1ndo s LEU 635 Ca 0.06 -0.10 -0.29 0.00 -0.22 0.00 0.00 54.13 53.58 1ndo s LEU 635 Cb -0.17 -1.99 0.01 0.00 0.50 0.00 0.00 46.19 44.54 1ndo s LEU 635 CO 0.09 -0.00 1.06 -1.00 -1.32 0.00 0.00 176.35 175.17 1ndo s HIS 636 N 1.45 3.25 -0.13 5.38 3.76 0.01 -0.13 115.29 128.88 1ndo s HIS 636 Ca 0.06 1.34 0.02 0.00 -0.15 0.00 0.00 55.06 56.34 1ndo s HIS 636 Cb -0.15 -3.46 0.01 0.00 1.11 0.00 0.00 32.58 30.09 1ndo s HIS 636 CO 0.05 -0.61 -0.21 0.42 -0.85 0.00 0.00 174.74 173.54 1ndo s ILE 637 N 3.41 1.98 -0.13 0.60 1.01 -0.08 -0.62 121.20 127.37 1ndo s ILE 637 Ca 0.45 -0.93 -0.03 0.00 0.00 0.00 0.00 60.65 60.13 1ndo s ILE 637 Cb -0.14 -1.76 -0.03 0.00 0.01 0.00 0.00 42.46 40.55 1ndo s ILE 637 CO 0.10 0.54 -0.04 -0.60 0.00 0.00 0.00 174.94 174.94 1ndo s ARG 638 N 0.82 3.45 0.13 2.79 3.52 -0.43 0.24 118.95 129.48 1ndo s ARG 638 Ca -0.07 -0.51 -0.14 0.00 -0.13 0.00 0.00 55.73 54.88 1ndo s ARG 638 Cb -0.16 -2.85 0.02 0.00 -1.56 0.00 0.00 34.95 30.41 1ndo s ARG 638 CO -0.01 0.36 0.36 -1.54 -0.81 0.00 0.00 175.30 173.66 1ndo s SER 639 N 0.03 -0.13 0.03 -2.12 1.04 -0.88 -0.74 113.70 110.93 1ndo s SER 639 Ca 0.00 -0.49 0.06 0.00 0.48 0.00 0.00 55.95 56.00 1ndo s SER 639 Cb -0.13 0.46 -0.03 0.00 0.10 0.00 0.00 66.02 66.41 1ndo s SER 639 CO 0.03 -0.87 -0.15 0.20 0.98 0.00 0.00 173.24 173.43 1ndo s ASN 640 N -2.85 4.05 0.01 7.02 0.01 -0.31 -0.17 114.94 122.69 1ndo s ASN 640 Ca 0.06 -0.34 0.04 0.00 -0.71 0.00 0.00 52.86 51.91 1ndo s ASN 640 Cb 0.02 -0.75 -0.01 0.00 0.41 0.00 0.00 41.25 40.92 1ndo s ASN 640 CO -0.09 0.26 -0.13 0.54 -1.51 0.00 0.00 177.10 176.17 1ndo s VAL 641 N -0.95 1.05 -0.19 1.60 0.11 0.00 -0.53 120.40 121.50 1ndo s VAL 641 Ca 0.15 -0.69 -0.02 0.00 -2.93 0.00 0.00 61.98 58.49 1ndo s VAL 641 Cb -0.11 -0.90 -0.01 0.00 -1.53 0.00 0.00 36.38 33.83 1ndo s VAL 641 CO 0.06 0.20 -0.08 -0.63 -3.33 0.00 0.00 175.10 171.32 1ndo s ILE 642 N -0.47 3.18 -0.18 7.04 1.01 -0.62 -1.43 121.20 129.72 1ndo s ILE 642 Ca 0.04 -0.58 0.01 0.00 0.00 0.00 0.00 60.65 60.12 1ndo s ILE 642 Cb -0.06 -2.40 0.01 0.00 0.01 0.00 0.00 42.46 40.02 1ndo s ILE 642 CO 0.00 0.47 -0.18 -0.22 0.00 0.00 0.00 174.94 175.01 1ndo s LEU 643 N 1.08 2.25 -0.23 2.97 0.20 0.03 -0.80 118.68 124.18 1ndo s LEU 643 Ca 0.00 -0.60 -0.06 0.00 0.69 0.00 0.00 54.13 54.17 1ndo s LEU 643 Cb -0.15 -1.52 -0.03 0.00 -0.43 0.00 0.00 46.19 44.07 1ndo s LEU 643 CO -0.01 0.01 0.04 -2.28 -0.29 0.00 0.00 176.35 173.82 1ndo s HIS 644 N 1.22 3.06 -0.17 5.38 5.65 -0.33 -0.53 115.29 129.57 1ndo s HIS 644 Ca 0.03 -0.47 -0.00 0.00 0.25 0.00 0.00 55.06 54.86 1ndo s HIS 644 Cb -0.14 -2.18 -0.00 0.00 -1.18 0.00 0.00 32.58 29.09 1ndo s HIS 644 CO -0.09 -0.33 -0.14 0.50 -0.65 0.00 0.00 174.74 174.03 1ndo s ARG 645 N 1.40 3.23 0.01 2.88 3.52 -0.18 -1.33 118.95 128.47 1ndo s ARG 645 Ca 0.05 -0.73 0.07 0.00 -0.13 0.00 0.00 55.73 54.99 1ndo s ARG 645 Cb -0.15 -2.69 -0.02 0.00 -1.56 0.00 0.00 34.95 30.53 1ndo s ARG 645 CO 0.02 -0.05 -0.21 0.00 -0.81 0.00 0.00 175.30 174.25 1ndo s ALA 646 N 0.99 1.79 0.04 6.12 0.00 -0.11 -0.93 121.76 129.65 1ndo s ALA 646 Ca -0.02 -0.99 -0.27 0.00 0.00 0.00 0.00 51.96 50.68 1ndo s ALA 646 Cb -0.15 -0.41 0.08 0.00 0.00 0.00 0.00 23.12 22.64 1ndo s ALA 646 CO -0.02 0.43 0.68 -0.98 0.00 0.00 0.00 175.76 175.86 1ndo s ARG 647 N -0.78 1.11 -1.48 0.00 1.70 -0.57 -1.43 118.95 117.50 1ndo s ARG 647 Ca 0.08 -0.10 -0.07 0.00 -0.47 0.00 0.00 55.73 55.16 1ndo s ARG 647 Cb -0.08 0.52 0.05 0.00 -0.57 0.00 0.00 34.95 34.86 1ndo s ARG 647 CO 0.00 -0.42 0.71 0.54 -1.08 0.00 0.00 175.30 175.05 1ndo n ARG 648 N 0.26 -4.24 0.00 3.89 1.74 -1.26 -2.12 116.66 114.93 1ndo n ARG 648 Ca -0.17 0.50 0.00 0.00 -0.77 0.00 0.00 57.85 57.41 1ndo n ARG 648 Cb 0.61 -5.05 0.00 0.00 -1.02 0.00 0.00 32.46 27.00 1ndo n ARG 648 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ndo n GLY 649 N -1.70 2.06 0.26 -0.13 0.00 -1.26 -4.33 105.19 100.09 1ndo n GLY 649 Ca -0.14 -0.33 0.04 0.00 0.00 0.00 0.00 46.02 45.59 1ndo n GLY 649 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1ndo n ASN 650 N 4.12 1.04 -4.65 1.61 0.23 -1.24 -5.01 115.26 111.35 1ndo n ASN 650 Ca 0.00 -2.33 -0.40 0.00 -0.53 0.00 0.00 54.58 51.32 1ndo n ASN 650 Cb 0.00 -0.26 -0.07 0.00 -2.08 0.00 0.00 39.78 37.38 1ndo n ASN 650 CO 0.00 0.00 0.00 -1.58 -0.93 0.00 0.00 177.26 174.75 1ndo s GLN 651 N -1.17 4.15 -0.09 -3.83 0.74 -0.90 -5.00 119.66 113.56 1ndo s GLN 651 Ca 0.12 0.44 -0.02 0.00 0.05 0.00 0.00 55.36 55.94 1ndo s GLN 651 Cb 0.11 -3.60 0.04 0.00 1.10 0.00 0.00 33.01 30.66 1ndo s GLN 651 CO 0.01 -0.25 0.04 0.08 -0.55 0.00 0.00 175.29 174.63 1ndo s VAL 652 N 1.95 0.12 -0.09 1.34 1.01 -1.26 -1.52 120.40 121.96 1ndo s VAL 652 Ca 0.24 0.13 0.01 0.00 0.00 0.00 0.00 61.98 62.36 1ndo s VAL 652 Cb -0.16 -0.44 0.02 0.00 0.00 0.00 0.00 36.38 35.81 1ndo s VAL 652 CO 0.09 0.10 -0.10 -1.81 0.00 0.00 0.00 175.10 173.38 1ndo s ASP 653 N 2.07 1.95 -0.16 3.32 1.01 -0.10 -5.02 116.67 119.74 1ndo s ASP 653 Ca 0.04 -0.30 0.00 0.00 0.71 0.00 0.00 52.55 53.00 1ndo s ASP 653 Cb -0.13 -0.83 0.00 0.00 1.01 0.00 0.00 42.92 42.97 1ndo s ASP 653 CO -0.05 -0.04 -0.15 -0.69 0.21 0.00 0.00 175.17 174.44 1ndo s VAL 654 N 1.19 2.65 0.03 -1.27 1.01 -1.26 -1.01 120.40 121.74 1ndo s VAL 654 Ca -0.05 -0.77 0.03 0.00 0.00 0.00 0.00 61.98 61.20 1ndo s VAL 654 Cb -0.14 -2.12 -0.04 0.00 0.00 0.00 0.00 36.38 34.08 1ndo s VAL 654 CO -0.02 0.51 -0.03 -0.36 0.00 0.00 0.00 175.10 175.20 1ndo s PHE 655 N 0.91 2.97 -0.03 5.22 0.40 0.31 -4.95 117.98 122.82 1ndo s PHE 655 Ca -0.03 -0.00 0.03 0.00 -0.60 0.00 0.00 56.93 56.32 1ndo s PHE 655 Cb -0.15 -1.59 0.00 0.00 0.51 0.00 0.00 43.02 41.79 1ndo s PHE 655 CO -0.02 0.44 -0.10 0.71 0.70 0.00 0.00 175.22 176.95 1ndo s TYR 656 N -1.14 1.04 -0.17 0.36 1.51 -1.26 -0.79 117.35 116.89 1ndo s TYR 656 Ca 0.21 -0.27 -0.32 0.00 -1.01 0.00 0.00 57.07 55.68 1ndo s TYR 656 Cb -0.11 -0.74 0.14 0.00 -0.11 0.00 0.00 41.96 41.14 1ndo s TYR 656 CO 0.12 -0.11 1.14 0.00 -1.11 0.00 0.00 175.55 175.59 1ndo s ALA 657 N 0.19 -2.01 -0.16 3.71 0.00 -0.52 -4.56 121.76 118.40 1ndo s ALA 657 Ca -0.03 1.57 -0.11 0.00 0.00 0.00 0.00 51.96 53.38 1ndo s ALA 657 Cb -0.09 -0.42 -0.05 0.00 0.00 0.00 0.00 23.12 22.56 1ndo s ALA 657 CO 0.01 -0.48 0.21 0.00 0.00 0.00 0.00 175.76 175.49 1ndo s ALA 658 N -1.98 3.68 -0.22 0.00 0.00 -1.26 -0.82 121.76 121.17 1ndo s ALA 658 Ca 0.06 -0.57 -0.04 0.00 0.00 0.00 0.00 51.96 51.41 1ndo s ALA 658 Cb -0.01 -2.23 -0.01 0.00 0.00 0.00 0.00 23.12 20.87 1ndo s ALA 658 CO -0.04 0.22 -0.02 1.03 0.00 0.00 0.00 175.76 176.95 1ndo s ARG 659 N 0.10 3.46 -0.54 0.00 0.52 0.76 -4.42 118.95 118.83 1ndo s ARG 659 Ca 0.13 -0.59 -0.16 0.00 -0.52 0.00 0.00 55.73 54.60 1ndo s ARG 659 Cb -0.12 -3.06 0.13 0.00 0.52 0.00 0.00 34.95 32.42 1ndo s ARG 659 CO 0.02 -0.15 0.49 -1.21 0.02 0.00 0.00 175.30 174.47 1ndo s GLU 660 N 1.39 2.97 0.21 3.54 2.02 -0.21 -2.08 118.70 126.54 1ndo s GLU 660 Ca 0.05 -1.71 0.06 0.00 0.02 0.00 0.00 54.97 53.39 1ndo s GLU 660 Cb -0.14 -4.28 -0.04 0.00 0.10 0.00 0.00 34.13 29.77 1ndo s GLU 660 CO -0.01 -1.32 0.21 -0.51 0.02 0.00 0.00 175.26 173.65 1ndo s ASP 661 N 3.54 5.72 -0.13 -0.19 1.01 0.14 -1.12 116.67 125.63 1ndo s ASP 661 Ca 0.03 -0.13 0.01 0.00 0.71 0.00 0.00 52.55 53.17 1ndo s ASP 661 Cb -0.30 -1.53 0.02 0.00 1.01 0.00 0.00 42.92 42.12 1ndo s ASP 661 CO 0.03 -0.00 -0.15 -0.54 0.21 0.00 0.00 175.17 174.72 1ndo s LYS 662 N -3.58 2.25 -0.09 8.23 1.02 0.55 -0.90 119.74 127.22 1ndo s LYS 662 Ca 0.33 -0.56 0.02 0.00 0.02 0.00 0.00 55.97 55.78 1ndo s LYS 662 Cb -0.09 -2.00 -0.02 0.00 -0.52 0.00 0.00 37.83 35.20 1ndo s LYS 662 CO 0.25 -0.16 -0.13 -1.58 -0.92 0.00 0.00 175.35 172.81 1ndo s TRP 663 N 1.26 2.76 -0.02 3.18 0.52 0.81 -0.25 118.94 127.21 1ndo s TRP 663 Ca -0.00 -0.37 0.04 0.00 0.02 0.00 0.00 56.10 55.78 1ndo s TRP 663 Cb -0.14 -1.73 -0.00 0.00 -1.15 0.00 0.00 33.47 30.45 1ndo s TRP 663 CO -0.06 0.01 -0.13 0.21 0.02 0.00 0.00 176.95 177.00 1ndo s LYS 664 N -0.24 1.20 0.07 4.98 2.20 0.15 -0.34 119.74 127.76 1ndo s LYS 664 Ca 0.01 -0.46 -0.31 0.00 -0.36 0.00 0.00 55.97 54.86 1ndo s LYS 664 Cb -0.13 -1.12 -0.09 0.00 -1.51 0.00 0.00 37.83 34.98 1ndo s LYS 664 CO 0.03 0.23 1.78 1.03 -0.36 0.00 0.00 175.35 178.05 1ndo s ARG 665 N -0.09 4.16 0.00 4.03 1.81 -1.12 -0.94 118.95 126.80 1ndo s ARG 665 Ca 0.01 2.47 0.00 0.00 -1.72 0.00 0.00 55.73 56.48 1ndo s ARG 665 Cb -0.08 -3.74 0.00 0.00 -0.45 0.00 0.00 34.95 30.68 1ndo s ARG 665 CO 0.00 -0.83 0.00 0.41 -0.68 0.00 0.00 175.30 174.21 1ndo n GLY 666 N 4.20 3.05 3.84 -3.53 0.00 -0.64 -4.94 105.19 107.17 1ndo n GLY 666 Ca 0.17 -1.72 -0.36 0.00 0.00 0.00 0.00 46.02 44.11 1ndo n GLY 666 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ndo s GLU 667 N 4.81 4.00 0.00 1.61 -6.30 -1.26 -3.43 118.70 118.13 1ndo s GLU 667 Ca 0.00 0.50 0.00 0.00 -2.50 0.00 0.00 54.97 52.97 1ndo s GLU 667 Cb 0.00 -3.06 0.00 0.00 0.00 0.00 0.00 34.13 31.07 1ndo s GLU 667 CO 0.00 0.56 0.00 0.41 0.02 0.00 0.00 175.26 176.25 1ndo n GLY 668 N 1.19 1.77 1.61 -1.50 0.00 -1.26 -3.86 105.19 103.15 1ndo n GLY 668 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1ndo n GLY 668 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ndo n GLY 669 N -1.73 0.56 3.64 -0.02 0.00 -1.22 -5.01 105.19 101.42 1ndo n GLY 669 Ca 0.00 -0.29 -0.42 0.00 0.00 0.00 0.00 46.02 45.30 1ndo n GLY 669 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ndo s VAL 670 N -2.00 4.76 -0.16 1.61 1.01 -1.25 -4.78 120.40 119.59 1ndo s VAL 670 Ca 0.00 1.68 -0.29 0.00 0.00 0.00 0.00 61.98 63.37 1ndo s VAL 670 Cb 0.00 -4.20 -0.03 0.00 0.00 0.00 0.00 36.38 32.15 1ndo s VAL 670 CO 0.00 -0.15 1.44 -0.60 0.00 0.00 0.00 175.10 175.79 1ndo s ARG 671 N 3.02 4.11 0.12 2.72 6.06 -1.26 -1.62 118.95 132.11 1ndo s ARG 671 Ca 0.38 1.77 0.07 0.00 -2.50 0.00 0.00 55.73 55.46 1ndo s ARG 671 Cb -0.15 -3.89 -0.04 0.00 0.06 0.00 0.00 34.95 30.94 1ndo s ARG 671 CO 0.08 -0.89 -0.18 0.15 -2.50 0.00 0.00 175.30 171.96 1ndo s LYS 672 N 3.92 1.11 0.04 5.12 1.02 -0.12 -4.84 119.74 126.00 1ndo s LYS 672 Ca 0.63 -1.22 -0.30 0.00 0.02 0.00 0.00 55.97 55.09 1ndo s LYS 672 Cb -0.25 -1.22 -0.07 0.00 -0.52 0.00 0.00 37.83 35.77 1ndo s LYS 672 CO 0.22 0.26 1.60 -1.17 -0.92 0.00 0.00 175.35 175.35 1ndo s LEU 673 N -2.21 4.35 -0.00 3.17 2.96 0.36 0.32 118.68 127.63 1ndo s LEU 673 Ca 0.09 2.39 0.00 0.00 -0.22 0.00 0.00 54.13 56.39 1ndo s LEU 673 Cb -0.08 -3.56 -0.00 0.00 0.50 0.00 0.00 46.19 43.05 1ndo s LEU 673 CO 0.04 -0.86 0.00 0.55 -1.32 0.00 0.00 176.35 174.77 1ndo n VAL 674 N 4.78 0.00 -3.69 1.68 3.14 0.66 0.34 118.33 125.24 1ndo n VAL 674 Ca 0.15 -0.00 -0.10 0.00 -2.96 0.00 0.00 64.34 61.43 1ndo n VAL 674 Cb 0.41 0.50 -0.11 0.00 -1.06 0.00 0.00 33.84 33.59 1ndo n VAL 674 CO 0.00 0.00 0.00 -1.58 -6.46 0.00 0.00 176.83 168.79 1ndo s GLN 675 N -2.01 0.38 -0.06 1.45 0.74 -0.76 -1.55 119.66 117.85 1ndo s GLN 675 Ca -0.00 0.84 0.04 0.00 0.05 0.00 0.00 55.36 56.30 1ndo s GLN 675 Cb 0.00 0.04 -0.00 0.00 1.10 0.00 0.00 33.01 34.15 1ndo s GLN 675 CO 0.00 -0.18 -0.20 0.50 -0.55 0.00 0.00 175.29 174.87 1ndo s ARG 676 N 1.63 2.25 -0.08 1.67 3.52 -0.18 -0.33 118.95 127.43 1ndo s ARG 676 Ca -0.08 -0.72 0.02 0.00 -0.13 0.00 0.00 55.73 54.82 1ndo s ARG 676 Cb -0.09 -1.85 0.01 0.00 -1.56 0.00 0.00 34.95 31.46 1ndo s ARG 676 CO -0.13 0.24 -0.12 0.12 -0.81 0.00 0.00 175.30 174.60 1ndo s PHE 677 N 0.14 1.51 -0.05 5.12 5.36 -0.27 -0.95 117.98 128.84 1ndo s PHE 677 Ca -0.09 -0.60 0.01 0.00 -0.96 0.00 0.00 56.93 55.29 1ndo s PHE 677 Cb -0.14 -1.12 0.02 0.00 -0.34 0.00 0.00 43.02 41.44 1ndo s PHE 677 CO 0.04 -0.33 -0.04 0.08 -1.46 0.00 0.00 175.22 173.51 1ndo s VAL 678 N 0.84 0.54 -0.87 3.12 1.01 -0.49 -1.05 120.40 123.50 1ndo s VAL 678 Ca -0.11 -0.12 -0.11 0.00 0.00 0.00 0.00 61.98 61.65 1ndo s VAL 678 Cb -0.15 -0.57 0.23 0.00 0.00 0.00 0.00 36.38 35.88 1ndo s VAL 678 CO 0.02 0.23 0.80 -0.62 0.00 0.00 0.00 175.10 175.53 1ndo s ASP 679 N 0.97 6.64 -0.06 3.32 -1.08 -1.26 -0.10 116.67 125.09 1ndo s ASP 679 Ca -0.10 -2.99 -0.35 0.00 -0.52 0.00 0.00 52.55 48.59 1ndo s ASP 679 Cb -0.14 -2.14 -0.12 0.00 -1.46 0.00 0.00 42.92 39.05 1ndo s ASP 679 CO -0.00 -0.45 1.81 0.00 0.52 0.00 0.00 175.17 177.05 1ndo n TYR 680 N 3.50 2.28 0.17 -5.34 9.36 -0.63 -4.84 117.16 121.67 1ndo n TYR 680 Ca 0.16 0.09 0.03 0.00 3.32 0.00 0.00 57.90 61.50 1ndo n TYR 680 Cb 0.43 -2.62 0.30 0.00 -0.63 0.00 0.00 39.34 36.82 1ndo n TYR 680 CO 0.00 0.00 0.00 -1.00 0.22 0.00 0.00 176.86 176.08 1ndo h PRO 681 N 8.46 0.00 -5.24 2.98 0.13 -1.89 -3.42 132.00 133.01 1ndo h PRO 681 Ca -0.48 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 64.03 1ndo h PRO 681 Cb 1.27 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.27 1ndo h PRO 681 CO 0.94 0.44 -0.20 -1.21 -0.23 0.00 0.00 178.00 177.73 1ndo s GLU 682 N -3.69 4.06 0.11 0.86 2.02 -1.26 -4.98 118.70 115.81 1ndo s GLU 682 Ca -0.01 0.11 -0.15 0.00 0.02 0.00 0.00 54.97 54.94 1ndo s GLU 682 Cb 0.12 -3.63 -0.06 0.00 0.10 0.00 0.00 34.13 30.66 1ndo s GLU 682 CO 0.71 -0.23 1.47 -0.09 0.02 0.00 0.00 175.26 177.15 1ndo h ARG 683 N 7.96 0.71 -4.72 1.61 9.65 -1.92 -3.39 114.38 124.28 1ndo h ARG 683 Ca -0.32 -0.32 -0.68 0.00 -1.10 0.00 0.00 59.98 57.55 1ndo h ARG 683 Cb 1.16 -0.02 -0.23 0.00 -1.39 0.00 0.00 29.97 29.50 1ndo h ARG 683 CO 0.67 0.93 -0.54 0.42 2.80 0.00 0.00 179.97 184.25 1ndo s ILE 684 N -4.58 4.67 0.24 1.20 1.01 -1.26 -4.99 121.20 117.50 1ndo s ILE 684 Ca -0.13 -0.51 -0.30 0.00 0.00 0.00 0.00 60.65 59.71 1ndo s ILE 684 Cb 0.09 -3.44 -0.10 0.00 0.01 0.00 0.00 42.46 39.02 1ndo s ILE 684 CO 0.82 -0.02 1.36 -0.76 0.00 0.00 0.00 174.94 176.34 1ndo s LEU 685 N 1.61 4.41 -0.22 2.97 1.43 -1.26 -4.92 118.68 122.69 1ndo s LEU 685 Ca 0.04 2.55 0.10 0.00 -1.03 0.00 0.00 54.13 55.80 1ndo s LEU 685 Cb -0.18 -3.62 0.43 0.00 0.03 0.00 0.00 46.19 42.85 1ndo s LEU 685 CO 0.07 -0.60 1.25 0.00 0.23 0.00 0.00 176.35 177.30 1ndo n GLN 686 N 2.24 1.73 -0.17 1.70 1.13 -1.26 -4.61 117.38 118.14 1ndo n GLN 686 Ca 0.05 -3.35 0.09 0.00 -1.94 0.00 0.00 57.00 51.86 1ndo n GLN 686 Cb 0.42 -1.68 0.14 0.00 0.11 0.00 0.00 30.24 29.23 1ndo n GLN 686 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 1ndo n THR 687 N -1.10 1.82 0.00 5.09 -2.24 -1.26 -4.97 114.28 111.62 1ndo n THR 687 Ca 0.22 -2.27 0.00 0.00 -2.27 0.00 0.00 64.05 59.73 1ndo n THR 687 Cb 0.74 -0.19 0.00 0.00 -2.10 0.00 0.00 70.33 68.78 1ndo n THR 687 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1ndo n HIS 688 N -1.31 0.00 -3.82 4.78 8.25 -1.26 -4.75 115.22 117.10 1ndo n HIS 688 Ca 0.16 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.57 1ndo n HIS 688 Cb 0.65 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.77 1ndo n HIS 688 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1ndo s ASN 689 N 0.00 -0.08 -0.39 0.41 2.20 -1.26 -5.04 114.94 110.77 1ndo s ASN 689 Ca 0.00 -0.63 0.05 0.00 -0.94 0.00 0.00 52.86 51.33 1ndo s ASN 689 Cb 0.00 0.56 0.46 0.00 -2.00 0.00 0.00 41.25 40.27 1ndo s ASN 689 CO 0.00 -1.09 1.43 -0.11 -2.94 0.00 0.00 177.10 174.39 1ndo n LEU 690 N -0.57 5.62 -1.96 3.54 7.94 -1.26 -4.87 117.00 125.43 1ndo n LEU 690 Ca -0.05 -4.58 -0.12 0.00 -1.11 0.00 0.00 56.01 50.15 1ndo n LEU 690 Cb 0.60 -0.53 -0.11 0.00 0.53 0.00 0.00 43.42 43.92 1ndo n LEU 690 CO 0.18 1.90 1.46 0.23 -1.11 0.00 0.00 177.39 180.06 1ndo n MET 691 N -0.79 1.84 -4.23 1.96 2.81 -1.26 -4.84 117.12 112.61 1ndo n MET 691 Ca 0.48 -1.03 -0.17 0.00 -1.81 0.00 0.00 57.70 55.18 1ndo n MET 691 Cb 0.89 -1.80 -0.11 0.00 -0.71 0.00 0.00 33.22 31.49 1ndo n MET 691 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 1ndo s VAL 692 N 0.13 1.23 -0.52 2.03 -7.23 -1.26 -5.10 120.40 109.68 1ndo s VAL 692 Ca 0.50 -1.74 -0.21 0.00 -1.81 0.00 0.00 61.98 58.72 1ndo s VAL 692 Cb 0.26 -1.53 0.05 0.00 0.56 0.00 0.00 36.38 35.72 1ndo s VAL 692 CO -0.03 -0.49 0.73 -0.36 -0.31 0.00 0.00 175.10 174.64 1ndo s PHE 693 N -2.35 2.96 -2.00 2.82 0.08 -1.26 -5.17 117.98 113.06 1ndo s PHE 693 Ca 0.09 -0.32 0.14 0.00 0.12 0.00 0.00 56.93 56.95 1ndo s PHE 693 Cb -0.04 -3.70 0.81 0.00 -0.57 0.00 0.00 43.02 39.52 1ndo s PHE 693 CO 0.02 -1.13 1.23 1.28 -0.10 0.00 0.00 175.22 176.53