#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tc2 s GLU 504 N 0.00 2.71 -0.19 5.56 8.01 -1.26 -5.08 118.70 128.45 1tc2 s GLU 504 Ca 0.00 -0.75 0.00 0.00 0.01 0.00 0.00 54.97 54.23 1tc2 s GLU 504 Cb 0.00 -2.14 0.02 0.00 -4.31 0.00 0.00 34.13 27.70 1tc2 s GLU 504 CO 0.00 0.06 -0.17 0.71 0.01 0.00 0.00 175.26 175.87 1tc2 s TYR 505 N 0.64 2.84 0.32 1.61 1.51 -1.26 -5.00 117.35 118.00 1tc2 s TYR 505 Ca -0.13 -1.57 0.00 0.00 -1.01 0.00 0.00 57.07 54.36 1tc2 s TYR 505 Cb -0.16 -1.95 0.53 0.00 -0.11 0.00 0.00 41.96 40.26 1tc2 s TYR 505 CO 0.03 -0.77 1.96 0.93 -1.11 0.00 0.00 175.55 176.59 1tc2 h GLU 506 N 7.96 0.98 0.00 -0.62 5.08 -2.02 -2.15 114.58 123.80 1tc2 h GLU 506 Ca -0.43 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 1tc2 h GLU 506 Cb 1.14 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 30.17 1tc2 h GLU 506 CO 0.62 0.65 0.00 1.97 -1.00 0.00 0.00 179.01 181.25 1tc2 n PHE 507 N -4.44 0.00 -3.74 4.33 1.16 -1.26 -4.86 117.46 108.65 1tc2 n PHE 507 Ca 0.10 0.00 -0.37 0.00 -1.87 0.00 0.00 57.45 55.32 1tc2 n PHE 507 Cb 0.10 -0.13 -0.07 0.00 -1.61 0.00 0.00 39.48 37.78 1tc2 n PHE 507 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1tc2 s ALA 508 N -2.25 3.76 0.14 1.98 0.00 -0.81 -0.96 121.76 123.62 1tc2 s ALA 508 Ca 0.39 -0.57 -0.00 0.00 0.00 0.00 0.00 51.96 51.77 1tc2 s ALA 508 Cb 0.21 -2.14 -0.08 0.00 0.00 0.00 0.00 23.12 21.10 1tc2 s ALA 508 CO 0.40 0.40 1.31 1.49 0.00 0.00 0.00 175.76 179.37 1tc2 h GLU 509 N 5.65 0.26 0.00 0.00 4.81 -0.85 -3.45 114.58 120.99 1tc2 h GLU 509 Ca -0.49 -0.31 0.00 0.00 -0.13 0.00 0.00 59.36 58.43 1tc2 h GLU 509 Cb 1.20 0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.67 1tc2 h GLU 509 CO 0.66 1.04 0.00 0.36 -0.73 0.00 0.00 179.01 180.34 1tc2 n LYS 510 N -3.65 0.00 -3.35 1.92 2.85 -1.25 -4.99 118.16 109.68 1tc2 n LYS 510 Ca -0.05 0.00 -0.38 0.00 -1.05 0.00 0.00 58.31 56.83 1tc2 n LYS 510 Cb 0.85 0.00 -0.07 0.00 -0.65 0.00 0.00 35.03 35.17 1tc2 n LYS 510 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 1tc2 s ILE 511 N -2.00 5.19 -0.14 0.58 1.01 -1.26 -0.46 121.20 124.12 1tc2 s ILE 511 Ca 0.00 0.81 -0.23 0.00 0.00 0.00 0.00 60.65 61.23 1tc2 s ILE 511 Cb 0.00 -3.77 -0.25 0.00 0.01 0.00 0.00 42.46 38.45 1tc2 s ILE 511 CO 0.00 0.27 0.57 -0.07 0.00 0.00 0.00 174.94 175.71 1tc2 h LEU 512 N 7.34 0.15 -7.59 2.97 3.38 -0.67 -3.48 115.31 117.41 1tc2 h LEU 512 Ca -0.37 -0.82 -0.26 0.00 0.09 0.00 0.00 57.88 56.52 1tc2 h LEU 512 Cb 1.17 -0.05 -0.31 0.00 0.09 0.00 0.00 40.66 41.56 1tc2 h LEU 512 CO 0.74 1.34 -0.69 -0.36 0.09 0.00 0.00 178.44 179.56 1tc2 s PHE 513 N -2.35 -0.03 0.69 1.13 0.40 -0.96 -5.01 117.98 111.86 1tc2 s PHE 513 Ca -0.21 0.15 -0.08 0.00 -0.60 0.00 0.00 56.93 56.19 1tc2 s PHE 513 Cb 0.02 -0.10 0.05 0.00 0.51 0.00 0.00 43.02 43.49 1tc2 s PHE 513 CO 0.70 -0.07 1.02 0.95 0.70 0.00 0.00 175.22 178.52 1tc2 s THR 514 N 0.59 2.71 0.22 0.64 -4.23 -1.26 -1.11 115.64 113.19 1tc2 s THR 514 Ca -0.05 -0.09 -0.08 0.00 -1.18 0.00 0.00 61.69 60.30 1tc2 s THR 514 Cb -0.07 -3.16 0.17 0.00 1.34 0.00 0.00 72.50 70.78 1tc2 s THR 514 CO -0.02 -0.18 1.85 -0.08 -0.54 0.00 0.00 174.62 175.65 1tc2 h GLU 515 N -0.56 0.87 -0.35 3.99 4.81 -1.95 -1.29 114.58 120.11 1tc2 h GLU 515 Ca -0.45 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 58.73 1tc2 h GLU 515 Cb 1.30 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 30.46 1tc2 h GLU 515 CO 0.62 0.58 0.21 1.49 -0.73 0.00 0.00 179.01 181.18 1tc2 h GLU 516 N 0.90 0.47 -0.19 1.92 4.57 -1.93 -1.24 114.58 119.07 1tc2 h GLU 516 Ca 0.32 -0.04 0.04 0.00 -1.18 0.00 0.00 59.36 58.50 1tc2 h GLU 516 Cb 0.09 -0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 28.54 1tc2 h GLU 516 CO -0.14 0.35 -0.02 0.93 -1.18 0.00 0.00 179.01 178.94 1tc2 h GLU 517 N 0.45 0.03 -0.53 1.92 5.08 -1.81 -0.35 114.58 119.37 1tc2 h GLU 517 Ca 0.12 -0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.49 1tc2 h GLU 517 Cb -0.00 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.21 1tc2 h GLU 517 CO -0.02 0.02 0.35 0.82 -1.00 0.00 0.00 179.01 179.17 1tc2 h ILE 518 N 0.03 1.12 -0.45 3.13 2.04 -1.09 -1.29 117.51 120.99 1tc2 h ILE 518 Ca 0.09 -0.24 0.04 0.00 1.00 0.00 0.00 64.86 65.75 1tc2 h ILE 518 Cb 0.13 0.35 -0.04 0.00 -0.74 0.00 0.00 36.82 36.52 1tc2 h ILE 518 CO -0.18 0.13 0.23 -0.09 0.00 0.00 0.00 178.15 178.24 1tc2 h ARG 519 N 0.70 0.44 -0.44 2.37 2.43 -0.73 0.13 114.38 119.28 1tc2 h ARG 519 Ca 0.20 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.32 1tc2 h ARG 519 Cb -0.06 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.38 1tc2 h ARG 519 CO -0.06 0.29 0.19 1.15 -1.51 0.00 0.00 179.97 180.04 1tc2 h THR 520 N 0.45 1.19 -0.47 0.20 2.02 -0.74 -2.00 112.91 113.57 1tc2 h THR 520 Ca 0.20 -0.58 -0.12 0.00 0.77 0.00 0.00 66.41 66.68 1tc2 h THR 520 Cb 0.10 0.75 -0.01 0.00 -1.74 0.00 0.00 68.15 67.25 1tc2 h THR 520 CO -0.14 0.22 -0.20 0.03 0.37 0.00 0.00 175.52 175.80 1tc2 h ARG 521 N 0.57 0.94 -0.25 6.66 3.08 -0.85 -2.68 114.38 121.85 1tc2 h ARG 521 Ca 0.15 -0.39 -0.07 0.00 0.07 0.00 0.00 59.98 59.74 1tc2 h ARG 521 Cb 0.16 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 1tc2 h ARG 521 CO -0.02 1.05 -0.16 0.82 -1.07 0.00 0.00 179.97 180.60 1tc2 h ILE 522 N 0.82 1.23 -0.36 2.04 2.04 -0.65 -1.90 117.51 120.74 1tc2 h ILE 522 Ca 0.11 -1.04 -0.03 0.00 1.00 0.00 0.00 64.86 64.91 1tc2 h ILE 522 Cb 0.76 1.22 -0.02 0.00 -0.74 0.00 0.00 36.82 38.05 1tc2 h ILE 522 CO 0.06 0.33 0.11 0.50 0.00 0.00 0.00 178.15 179.15 1tc2 h LYS 523 N 0.39 0.55 -0.74 2.37 3.64 -1.12 -0.80 116.57 120.86 1tc2 h LYS 523 Ca 0.07 -0.12 -0.05 0.00 -1.27 0.00 0.00 60.65 59.28 1tc2 h LYS 523 Cb 0.51 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.22 1tc2 h LYS 523 CO 0.03 0.58 0.28 0.93 -2.27 0.00 0.00 179.45 179.00 1tc2 h GLU 524 N 0.42 1.12 -0.37 1.90 5.08 -1.15 -1.35 114.58 120.22 1tc2 h GLU 524 Ca 0.11 -0.21 -0.16 0.00 -1.00 0.00 0.00 59.36 58.11 1tc2 h GLU 524 Cb 0.25 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 1tc2 h GLU 524 CO -0.00 0.92 -0.39 0.28 -1.00 0.00 0.00 179.01 178.81 1tc2 h VAL 525 N 1.09 1.27 -0.74 3.13 2.07 -1.22 -2.32 116.25 119.53 1tc2 h VAL 525 Ca 0.25 -1.57 -0.05 0.00 0.82 0.00 0.00 66.70 66.16 1tc2 h VAL 525 Cb 0.23 1.40 -0.03 0.00 -1.52 0.00 0.00 31.29 31.36 1tc2 h VAL 525 CO -0.02 0.52 0.29 0.00 0.02 0.00 0.00 177.57 178.38 1tc2 h ALA 526 N 0.80 1.10 -0.50 1.67 0.00 -0.90 0.04 119.26 121.48 1tc2 h ALA 526 Ca 0.06 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 1tc2 h ALA 526 Cb 0.98 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1tc2 h ALA 526 CO 0.10 0.64 0.24 -0.22 0.00 0.00 0.00 179.25 180.00 1tc2 h LYS 527 N 1.08 0.72 -0.62 0.00 1.63 -1.15 -0.60 116.57 117.64 1tc2 h LYS 527 Ca 0.25 -0.11 -0.04 0.00 -0.85 0.00 0.00 60.65 59.90 1tc2 h LYS 527 Cb 0.22 -0.13 -0.03 0.00 -0.60 0.00 0.00 32.23 31.69 1tc2 h LYS 527 CO -0.02 0.60 0.24 0.00 -3.45 0.00 0.00 179.45 176.82 1tc2 h ARG 528 N 0.66 0.92 -0.69 1.90 3.08 -0.92 -1.45 114.38 117.88 1tc2 h ARG 528 Ca 0.17 -0.17 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 1tc2 h ARG 528 Cb 0.12 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 29.99 1tc2 h ARG 528 CO -0.02 0.79 0.36 0.82 -1.07 0.00 0.00 179.97 180.85 1tc2 h ILE 529 N 0.86 1.22 -0.26 2.04 2.04 -0.73 0.72 117.51 123.40 1tc2 h ILE 529 Ca 0.21 -0.59 0.00 0.00 1.00 0.00 0.00 64.86 65.48 1tc2 h ILE 529 Cb 0.21 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 36.61 1tc2 h ILE 529 CO -0.02 0.25 0.17 0.00 0.00 0.00 0.00 178.15 178.56 1tc2 h ALA 530 N 1.18 0.34 -0.65 1.87 0.00 -0.80 -0.84 119.26 120.36 1tc2 h ALA 530 Ca 0.24 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.05 1tc2 h ALA 530 Cb 0.07 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1tc2 h ALA 530 CO -0.04 -0.18 0.12 -0.44 0.00 0.00 0.00 179.25 178.72 1tc2 h ASP 531 N 0.35 1.01 0.12 0.00 3.45 -0.91 -2.35 116.42 118.08 1tc2 h ASP 531 Ca 0.10 -0.25 -0.07 0.00 0.43 0.00 0.00 57.03 57.23 1tc2 h ASP 531 Cb -0.03 -0.27 -0.01 0.00 -0.56 0.00 0.00 39.33 38.47 1tc2 h ASP 531 CO -0.02 1.00 -0.25 0.44 -1.57 0.00 0.00 179.24 178.84 1tc2 h ASP 532 N 0.97 0.23 -0.25 6.45 3.32 -0.56 -2.91 116.42 123.68 1tc2 h ASP 532 Ca 0.20 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.18 1tc2 h ASP 532 Cb 0.41 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.90 1tc2 h ASP 532 CO 0.01 0.49 0.00 -1.22 -1.72 0.00 0.00 179.24 176.80 1tc2 n TYR 533 N -4.16 0.31 -0.32 4.55 4.02 -0.35 -4.44 117.16 116.77 1tc2 n TYR 533 Ca -0.01 -0.15 0.04 0.00 -0.01 0.00 0.00 57.90 57.77 1tc2 n TYR 533 Cb 0.36 0.00 0.19 0.00 -0.02 0.00 0.00 39.34 39.87 1tc2 n TYR 533 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 176.86 176.72 1tc2 h LYS 534 N 3.92 0.85 0.00 -0.72 1.57 -1.21 -0.80 116.57 120.17 1tc2 h LYS 534 Ca 0.00 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1tc2 h LYS 534 Cb 0.85 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.97 1tc2 h LYS 534 CO 0.00 0.56 0.00 0.41 -0.57 0.00 0.00 179.45 179.85 1tc2 n GLY 535 N -1.33 -0.90 0.16 3.86 0.00 -1.26 -2.65 105.19 103.07 1tc2 n GLY 535 Ca 0.16 -0.08 0.13 0.00 0.00 0.00 0.00 46.02 46.22 1tc2 n GLY 535 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1tc2 n LYS 536 N -1.30 0.54 -3.69 1.61 4.76 -0.31 -4.98 118.16 114.79 1tc2 n LYS 536 Ca 0.08 -0.31 -0.22 0.00 -2.87 0.00 0.00 58.31 54.99 1tc2 n LYS 536 Cb 0.15 -1.49 0.04 0.00 -1.84 0.00 0.00 35.03 31.88 1tc2 n LYS 536 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1tc2 n GLY 537 N 1.40 -0.32 3.77 0.72 0.00 -1.08 -4.90 105.19 104.77 1tc2 n GLY 537 Ca 0.10 0.13 -0.41 0.00 0.00 0.00 0.00 46.02 45.84 1tc2 n GLY 537 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1tc2 s LEU 538 N -6.71 4.35 -0.04 0.99 1.43 -1.26 -4.90 118.68 112.54 1tc2 s LEU 538 Ca 0.06 2.91 -0.08 0.00 -1.03 0.00 0.00 54.13 56.00 1tc2 s LEU 538 Cb -0.03 -3.65 0.01 0.00 0.03 0.00 0.00 46.19 42.55 1tc2 s LEU 538 CO 0.80 -0.80 0.19 -0.13 0.23 0.00 0.00 176.35 176.65 1tc2 s ARG 539 N -1.47 0.35 0.71 1.70 0.52 0.06 -4.81 118.95 116.01 1tc2 s ARG 539 Ca 0.55 0.01 -0.16 0.00 -0.52 0.00 0.00 55.73 55.61 1tc2 s ARG 539 Cb -0.45 0.16 0.03 0.00 0.52 0.00 0.00 34.95 35.21 1tc2 s ARG 539 CO 0.55 -0.07 1.26 -1.25 0.02 0.00 0.00 175.30 175.81 1tc2 s PRO 540 N -0.51 2.16 0.00 3.54 0.04 -1.26 -0.42 135.00 138.55 1tc2 s PRO 540 Ca -0.06 1.94 0.00 0.00 0.04 0.00 0.00 61.00 62.92 1tc2 s PRO 540 Cb -0.04 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 32.69 1tc2 s PRO 540 CO 0.01 -1.86 0.00 0.66 0.04 0.00 0.00 177.00 175.85 1tc2 n TYR 541 N -2.49 0.00 0.00 0.56 4.02 -1.26 -4.20 117.16 113.79 1tc2 n TYR 541 Ca 0.15 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.92 1tc2 n TYR 541 Cb 0.49 0.00 -0.14 0.00 -0.02 0.00 0.00 39.34 39.67 1tc2 n TYR 541 CO 0.00 0.00 0.00 -0.39 -1.01 0.00 0.00 176.86 175.46 1tc2 h VAL 542 N 0.00 0.92 -1.06 -0.72 -1.51 -2.02 -3.43 116.25 108.43 1tc2 h VAL 542 Ca 0.00 -2.70 -0.36 0.00 -1.23 0.00 0.00 66.70 62.40 1tc2 h VAL 542 Cb 0.00 2.52 -0.32 0.00 -2.13 0.00 0.00 31.29 31.36 1tc2 h VAL 542 CO 0.00 0.66 -0.95 -3.20 -1.23 0.00 0.00 177.57 172.85 1tc2 n ASN 543 N -3.22 0.12 -4.84 4.19 5.15 0.44 -4.96 115.26 112.14 1tc2 n ASN 543 Ca -0.18 -2.94 -0.31 0.00 -0.60 0.00 0.00 54.58 50.55 1tc2 n ASN 543 Cb 1.04 0.06 0.05 0.00 -0.53 0.00 0.00 39.78 40.40 1tc2 n ASN 543 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1tc2 s PRO 544 N -1.84 2.93 -0.23 1.20 0.04 -0.79 -0.76 135.00 135.55 1tc2 s PRO 544 Ca 0.30 0.73 -0.25 0.00 0.04 0.00 0.00 61.00 61.82 1tc2 s PRO 544 Cb 0.38 -2.01 -0.00 0.00 0.04 0.00 0.00 34.50 32.91 1tc2 s PRO 544 CO -0.04 -1.04 0.86 -1.17 0.04 0.00 0.00 177.00 175.64 1tc2 s LEU 545 N -5.45 4.10 -0.32 -3.56 2.96 -0.23 -4.54 118.68 111.63 1tc2 s LEU 545 Ca 0.58 1.10 -0.28 0.00 -0.22 0.00 0.00 54.13 55.31 1tc2 s LEU 545 Cb -0.13 -3.24 0.01 0.00 0.50 0.00 0.00 46.19 43.34 1tc2 s LEU 545 CO 0.54 -0.52 1.02 -0.69 -1.32 0.00 0.00 176.35 175.39 1tc2 s VAL 546 N 2.77 4.55 -0.30 1.68 1.01 0.10 -1.07 120.40 129.14 1tc2 s VAL 546 Ca 0.37 1.60 -0.16 0.00 0.00 0.00 0.00 61.98 63.79 1tc2 s VAL 546 Cb -0.15 -4.38 -0.03 0.00 0.00 0.00 0.00 36.38 31.82 1tc2 s VAL 546 CO 0.08 -0.46 0.40 -0.76 0.00 0.00 0.00 175.10 174.36 1tc2 s LEU 547 N 3.55 4.17 -0.53 3.92 1.43 0.34 -0.34 118.68 131.22 1tc2 s LEU 547 Ca 0.43 0.15 -0.15 0.00 -1.03 0.00 0.00 54.13 53.53 1tc2 s LEU 547 Cb -0.12 -2.45 0.13 0.00 0.03 0.00 0.00 46.19 43.77 1tc2 s LEU 547 CO 0.15 -0.27 0.49 -0.63 0.23 0.00 0.00 176.35 176.32 1tc2 s ILE 548 N 2.13 5.13 -0.31 -0.59 1.01 -0.14 -0.57 121.20 127.86 1tc2 s ILE 548 Ca 0.15 -1.52 -0.25 0.00 0.00 0.00 0.00 60.65 59.03 1tc2 s ILE 548 Cb -0.16 -4.29 0.01 0.00 0.01 0.00 0.00 42.46 38.03 1tc2 s ILE 548 CO 0.11 -0.86 0.88 -0.55 0.00 0.00 0.00 174.94 174.52 1tc2 s SER 549 N 3.52 6.76 -0.76 3.58 0.15 0.06 -0.65 113.70 126.35 1tc2 s SER 549 Ca 0.03 0.80 -0.23 0.00 0.70 0.00 0.00 55.95 57.26 1tc2 s SER 549 Cb -0.30 -2.45 0.07 0.00 -1.71 0.00 0.00 66.02 61.63 1tc2 s SER 549 CO 0.03 -0.70 1.11 -0.69 1.20 0.00 0.00 173.24 174.19 1tc2 s VAL 550 N 3.17 4.22 0.62 4.45 1.01 -1.01 -1.68 120.40 131.18 1tc2 s VAL 550 Ca 0.37 -0.45 -0.15 0.00 0.00 0.00 0.00 61.98 61.75 1tc2 s VAL 550 Cb -0.14 -4.79 -0.02 0.00 0.00 0.00 0.00 36.38 31.43 1tc2 s VAL 550 CO 0.13 -1.61 1.07 -0.76 0.00 0.00 0.00 175.10 173.94 1tc2 s LEU 551 N 4.29 3.43 0.00 3.92 1.43 -0.17 -1.88 118.68 129.69 1tc2 s LEU 551 Ca 0.29 1.84 0.07 0.00 -1.03 0.00 0.00 54.13 55.30 1tc2 s LEU 551 Cb -0.11 -4.53 -0.24 0.00 0.03 0.00 0.00 46.19 41.34 1tc2 s LEU 551 CO 0.06 -1.33 0.84 0.11 0.23 0.00 0.00 176.35 176.26 1tc2 h LYS 552 N 0.19 0.07 -0.96 1.70 1.57 -1.87 -2.99 116.57 114.28 1tc2 h LYS 552 Ca -0.46 -0.12 0.24 0.00 -1.87 0.00 0.00 60.65 58.43 1tc2 h LYS 552 Cb 1.23 0.04 -0.13 0.00 0.08 0.00 0.00 32.23 33.45 1tc2 h LYS 552 CO 0.56 0.79 0.51 0.78 -0.57 0.00 0.00 179.45 181.53 1tc2 h GLY 553 N 2.84 1.76 1.78 3.86 0.00 -1.74 -2.36 103.07 109.20 1tc2 h GLY 553 Ca -0.22 -0.25 0.00 0.00 0.00 0.00 0.00 47.33 46.86 1tc2 h GLY 553 CO 0.11 -0.26 0.00 -1.26 0.00 0.00 0.00 176.54 175.13 1tc2 n SER 554 N -4.96 0.00 -0.31 0.19 2.88 -0.79 -4.16 113.62 106.48 1tc2 n SER 554 Ca 0.25 0.25 0.08 0.00 -1.33 0.00 0.00 58.87 58.11 1tc2 n SER 554 Cb 0.71 -0.39 0.24 0.00 -0.75 0.00 0.00 64.21 64.02 1tc2 n SER 554 CO 0.00 0.00 0.00 2.19 -1.23 0.00 0.00 175.04 176.00 1tc2 h PHE 555 N 0.00 0.82 -0.01 0.66 -5.15 -1.67 0.80 116.94 112.39 1tc2 h PHE 555 Ca 0.00 0.03 -0.11 0.00 -0.20 0.00 0.00 57.97 57.69 1tc2 h PHE 555 Cb 0.25 -0.23 0.01 0.00 0.22 0.00 0.00 35.95 36.20 1tc2 h PHE 555 CO 0.00 0.21 -0.43 1.98 -2.00 0.00 0.00 178.31 178.07 1tc2 h MET 556 N 0.66 0.30 -0.48 6.09 4.05 -1.84 -2.22 114.93 121.49 1tc2 h MET 556 Ca 0.48 -0.32 0.01 0.00 -0.28 0.00 0.00 59.70 59.60 1tc2 h MET 556 Cb 0.67 0.09 -0.03 0.00 -0.80 0.00 0.00 31.60 31.53 1tc2 h MET 556 CO -0.36 1.01 0.30 0.35 0.23 0.00 0.00 176.91 178.44 1tc2 h PHE 557 N -0.28 0.57 -0.49 1.39 3.57 -1.74 -2.03 116.94 117.93 1tc2 h PHE 557 Ca -0.05 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.50 1tc2 h PHE 557 Cb 1.15 -0.19 -0.04 0.00 2.79 0.00 0.00 35.95 39.66 1tc2 h PHE 557 CO 0.16 0.34 0.25 1.15 -2.23 0.00 0.00 178.31 177.98 1tc2 h THR 558 N 0.61 0.97 -0.61 4.41 2.02 -0.86 0.25 112.91 119.70 1tc2 h THR 558 Ca 0.19 -0.17 -0.00 0.00 0.77 0.00 0.00 66.41 67.19 1tc2 h THR 558 Cb -0.02 0.44 -0.03 0.00 -1.74 0.00 0.00 68.15 66.79 1tc2 h THR 558 CO -0.07 0.09 0.36 0.00 0.37 0.00 0.00 175.52 176.27 1tc2 h ALA 559 N 1.26 0.78 0.05 6.16 0.00 -1.01 -0.67 119.26 125.83 1tc2 h ALA 559 Ca 0.21 -0.08 -0.24 0.00 0.00 0.00 0.00 54.91 54.80 1tc2 h ALA 559 Cb 0.11 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1tc2 h ALA 559 CO -0.15 0.27 -1.05 -0.44 0.00 0.00 0.00 179.25 177.88 1tc2 h ASP 560 N 0.83 0.48 -0.30 0.00 3.32 -1.06 -3.21 116.42 116.46 1tc2 h ASP 560 Ca 0.22 -0.43 -0.11 0.00 0.02 0.00 0.00 57.03 56.74 1tc2 h ASP 560 Cb -0.01 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.39 1tc2 h ASP 560 CO -0.04 1.26 -0.23 0.25 -1.72 0.00 0.00 179.24 178.75 1tc2 h LEU 561 N 0.16 0.73 -1.34 1.55 5.85 -0.39 -2.07 115.31 119.81 1tc2 h LEU 561 Ca -0.10 -0.45 -0.05 0.00 0.84 0.00 0.00 57.88 58.13 1tc2 h LEU 561 Cb 1.72 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 42.53 1tc2 h LEU 561 CO 0.18 1.02 -0.04 0.00 -0.34 0.00 0.00 178.44 179.26 1tc2 h ARG 563 N 0.37 0.96 -0.26 0.00 3.08 -1.53 -0.93 114.38 116.07 1tc2 h ARG 563 Ca 0.08 -0.47 -0.08 0.00 0.07 0.00 0.00 59.98 59.58 1tc2 h ARG 563 Cb 0.32 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.36 1tc2 h ARG 563 CO 0.01 1.14 -0.18 0.00 -1.07 0.00 0.00 179.97 179.87 1tc2 h ALA 564 N 0.80 1.21 -0.20 0.04 0.00 -0.66 -1.15 119.26 119.29 1tc2 h ALA 564 Ca 0.08 -0.30 -0.13 0.00 0.00 0.00 0.00 54.91 54.56 1tc2 h ALA 564 Cb 0.92 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1tc2 h ALA 564 CO 0.09 0.51 -0.44 -0.07 0.00 0.00 0.00 179.25 179.34 1tc2 h LEU 565 N 0.42 0.54 -1.08 0.00 3.38 -0.48 -2.71 115.31 115.38 1tc2 h LEU 565 Ca 0.07 -0.25 -0.07 0.00 0.09 0.00 0.00 57.88 57.72 1tc2 h LEU 565 Cb 0.56 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 1tc2 h LEU 565 CO 0.04 0.90 -0.13 0.00 0.09 0.00 0.00 178.44 179.34 1tc2 h ASP 567 N 0.46 0.40 -0.71 0.00 3.32 -0.89 -1.25 116.42 117.74 1tc2 h ASP 567 Ca 0.08 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 56.93 1tc2 h ASP 567 Cb 0.51 -0.08 -0.12 0.00 0.22 0.00 0.00 39.33 39.85 1tc2 h ASP 567 CO 0.03 0.26 0.25 0.49 -1.72 0.00 0.00 179.24 178.55 1tc2 n PHE 568 N -4.47 2.38 -2.27 4.55 3.01 -0.50 -4.93 117.46 115.23 1tc2 n PHE 568 Ca 0.08 -1.20 -0.17 0.00 1.01 0.00 0.00 57.45 57.17 1tc2 n PHE 568 Cb 0.27 -0.67 -0.02 0.00 -0.01 0.00 0.00 39.48 39.05 1tc2 n PHE 568 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1tc2 n ASN 569 N -0.17 -4.97 -4.57 4.37 3.02 -0.47 -4.96 115.26 107.51 1tc2 n ASN 569 Ca 0.40 0.13 -0.41 0.00 -0.03 0.00 0.00 54.58 54.67 1tc2 n ASN 569 Cb 1.37 -4.21 -0.07 0.00 -0.61 0.00 0.00 39.78 36.25 1tc2 n ASN 569 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1tc2 s VAL 570 N -2.79 4.95 0.03 2.41 1.01 -0.54 -5.01 120.40 120.46 1tc2 s VAL 570 Ca 0.00 0.54 -0.30 0.00 0.00 0.00 0.00 61.98 62.22 1tc2 s VAL 570 Cb 0.00 -4.01 -0.04 0.00 0.00 0.00 0.00 36.38 32.33 1tc2 s VAL 570 CO 0.00 -0.24 1.04 -2.16 0.00 0.00 0.00 175.10 173.74 1tc2 s PRO 571 N 2.56 4.54 0.27 2.72 0.04 -1.26 -4.16 135.00 139.71 1tc2 s PRO 571 Ca 0.22 1.52 0.07 0.00 0.04 0.00 0.00 61.00 62.85 1tc2 s PRO 571 Cb -0.15 -3.42 -0.06 0.00 0.04 0.00 0.00 34.50 30.92 1tc2 s PRO 571 CO 0.14 -0.07 -0.08 0.14 0.04 0.00 0.00 177.00 177.16 1tc2 s VAL 572 N 0.88 1.71 -0.08 -0.36 -7.23 -1.26 -1.07 120.40 113.00 1tc2 s VAL 572 Ca 0.53 -2.16 -0.00 0.00 -1.81 0.00 0.00 61.98 58.54 1tc2 s VAL 572 Cb -0.24 -2.37 0.03 0.00 0.56 0.00 0.00 36.38 34.36 1tc2 s VAL 572 CO 0.29 -0.36 -0.04 -0.60 -0.31 0.00 0.00 175.10 174.09 1tc2 s ARG 573 N -3.70 0.97 0.00 4.82 3.52 -0.23 -4.79 118.95 119.54 1tc2 s ARG 573 Ca 0.28 -0.06 -0.21 0.00 -0.13 0.00 0.00 55.73 55.61 1tc2 s ARG 573 Cb 0.02 -1.15 -0.05 0.00 -1.56 0.00 0.00 34.95 32.21 1tc2 s ARG 573 CO 0.11 -0.24 0.62 -1.64 -0.81 0.00 0.00 175.30 173.34 1tc2 s MET 574 N 1.64 4.34 -0.07 5.12 -1.94 -1.26 -0.51 119.30 126.62 1tc2 s MET 574 Ca 0.01 0.78 0.02 0.00 -1.71 0.00 0.00 55.69 54.79 1tc2 s MET 574 Cb -0.13 -3.35 0.01 0.00 2.01 0.00 0.00 34.83 33.38 1tc2 s MET 574 CO -0.05 0.36 -0.12 -1.21 -0.01 0.00 0.00 175.02 173.99 1tc2 s GLU 575 N -0.17 1.73 -0.21 2.03 0.41 0.26 -4.93 118.70 117.82 1tc2 s GLU 575 Ca 0.32 -0.41 -0.04 0.00 -0.41 0.00 0.00 54.97 54.43 1tc2 s GLU 575 Cb -0.18 -1.46 -0.01 0.00 -1.78 0.00 0.00 34.13 30.69 1tc2 s GLU 575 CO 0.18 -0.01 -0.03 -0.06 -0.49 0.00 0.00 175.26 174.85 1tc2 s PHE 576 N 0.79 2.97 0.39 1.61 0.40 -1.26 -0.76 117.98 122.13 1tc2 s PHE 576 Ca -0.12 -0.77 0.08 0.00 -0.60 0.00 0.00 56.93 55.51 1tc2 s PHE 576 Cb -0.15 -2.09 -0.07 0.00 0.51 0.00 0.00 43.02 41.22 1tc2 s PHE 576 CO 0.02 -0.44 0.03 0.96 0.70 0.00 0.00 175.22 176.49 1tc2 s ILE 577 N 1.31 2.18 -0.04 0.64 -4.36 -0.68 -4.66 121.20 115.58 1tc2 s ILE 577 Ca 0.04 -1.96 -0.00 0.00 -0.26 0.00 0.00 60.65 58.47 1tc2 s ILE 577 Cb -0.14 -2.93 0.03 0.00 1.25 0.00 0.00 42.46 40.66 1tc2 s ILE 577 CO -0.01 -0.05 0.00 0.00 0.24 0.00 0.00 174.94 175.12 1tc2 s VAL 579 N 1.38 0.87 -0.01 0.00 1.01 -1.13 0.38 120.40 122.91 1tc2 s VAL 579 Ca -0.05 -0.47 0.06 0.00 0.00 0.00 0.00 61.98 61.53 1tc2 s VAL 579 Cb -0.13 -0.73 -0.02 0.00 0.00 0.00 0.00 36.38 35.51 1tc2 s VAL 579 CO -0.02 0.25 -0.18 -0.55 0.00 0.00 0.00 175.10 174.59 1tc2 s SER 580 N -0.23 2.14 0.00 3.32 0.15 0.53 -4.54 113.70 115.07 1tc2 s SER 580 Ca 0.04 -0.35 0.00 0.00 0.70 0.00 0.00 55.95 56.34 1tc2 s SER 580 Cb -0.05 -0.23 0.00 0.00 -1.71 0.00 0.00 66.02 64.03 1tc2 s SER 580 CO -0.00 0.21 0.00 -0.24 1.20 0.00 0.00 173.24 174.41 1tc2 n SER 581 N 2.54 0.00 0.06 5.45 2.88 -1.26 -0.38 113.62 122.91 1tc2 n SER 581 Ca -0.15 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.37 1tc2 n SER 581 Cb 0.54 0.09 -0.06 0.00 -0.75 0.00 0.00 64.21 64.03 1tc2 n SER 581 CO 0.00 0.00 0.00 1.88 -1.23 0.00 0.00 175.04 175.69 1tc2 h TYR 582 N 0.00 0.00 0.00 0.66 -1.99 -1.88 -2.67 116.97 111.09 1tc2 h TYR 582 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1tc2 h TYR 582 Cb 0.00 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.73 1tc2 h TYR 582 CO 0.00 0.67 0.00 0.41 -0.00 0.00 0.00 178.16 179.24 1tc2 n GLY 583 N 1.35 2.86 0.23 3.88 0.00 -1.26 -1.82 105.19 110.44 1tc2 n GLY 583 Ca -0.05 -0.33 0.14 0.00 0.00 0.00 0.00 46.02 45.78 1tc2 n GLY 583 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1tc2 n GLU 584 N 13.72 1.10 -0.68 1.61 1.02 -1.26 -4.45 120.64 131.70 1tc2 n GLU 584 Ca 0.00 -0.47 0.00 0.00 -0.02 0.00 0.00 57.16 56.67 1tc2 n GLU 584 Cb 0.00 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 29.93 1tc2 n GLU 584 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1tc2 n GLY 585 N 1.19 1.11 0.01 0.62 0.00 -0.75 -3.77 105.19 103.60 1tc2 n GLY 585 Ca 0.18 -2.00 0.09 0.00 0.00 0.00 0.00 46.02 44.28 1tc2 n GLY 585 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1tc2 n LEU 586 N 0.00 0.11 -4.37 0.99 4.77 -1.26 -4.59 117.00 112.65 1tc2 n LEU 586 Ca 0.00 -0.07 -0.28 0.00 -0.03 0.00 0.00 56.01 55.63 1tc2 n LEU 586 Cb 0.00 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 40.96 1tc2 n LEU 586 CO 0.00 0.03 -0.56 0.42 -1.33 0.00 0.00 177.39 175.95 1tc2 s THR 587 N -3.12 2.14 0.27 -5.08 -4.23 -1.26 -5.10 115.64 99.26 1tc2 s THR 587 Ca -0.05 -1.72 -0.29 0.00 -1.18 0.00 0.00 61.69 58.45 1tc2 s THR 587 Cb 0.11 -1.91 -0.14 0.00 1.34 0.00 0.00 72.50 71.91 1tc2 s THR 587 CO 0.72 0.05 1.09 -0.24 -0.54 0.00 0.00 174.62 175.69 1tc2 n SER 588 N 0.92 1.54 0.18 3.99 2.88 -1.26 -4.63 113.62 117.24 1tc2 n SER 588 Ca -0.18 1.17 0.13 0.00 -1.33 0.00 0.00 58.87 58.66 1tc2 n SER 588 Cb 0.53 -1.31 0.39 0.00 -0.75 0.00 0.00 64.21 63.08 1tc2 n SER 588 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 1tc2 h SER 589 N 2.42 0.00 0.00 -3.46 4.64 -1.80 -3.46 113.55 111.89 1tc2 h SER 589 Ca -0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 1tc2 h SER 589 Cb 1.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.42 1tc2 h SER 589 CO 0.63 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.20 1tc2 n GLY 590 N 0.82 1.82 3.24 -0.77 0.00 -1.26 -5.01 105.19 104.03 1tc2 n GLY 590 Ca 0.04 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.78 1tc2 n GLY 590 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1tc2 s GLN 591 N -0.69 1.82 -0.21 1.61 0.00 -1.26 -5.11 119.66 115.81 1tc2 s GLN 591 Ca 0.00 -0.79 -0.03 0.00 -0.00 0.00 0.00 55.36 54.54 1tc2 s GLN 591 Cb 0.00 -1.74 -0.01 0.00 0.00 0.00 0.00 33.01 31.26 1tc2 s GLN 591 CO 0.00 0.46 -0.06 0.08 0.00 0.00 0.00 175.29 175.77 1tc2 s VAL 592 N -0.48 3.28 -0.18 3.63 1.01 -1.26 -4.46 120.40 121.93 1tc2 s VAL 592 Ca 0.07 -0.53 -0.07 0.00 0.00 0.00 0.00 61.98 61.46 1tc2 s VAL 592 Cb -0.09 -2.48 -0.04 0.00 0.00 0.00 0.00 36.38 33.78 1tc2 s VAL 592 CO -0.01 0.44 0.05 -0.13 0.00 0.00 0.00 175.10 175.45 1tc2 s ARG 593 N 1.37 3.91 -0.63 2.72 1.81 0.49 -4.94 118.95 123.67 1tc2 s ARG 593 Ca 0.04 -0.38 -0.22 0.00 -1.72 0.00 0.00 55.73 53.46 1tc2 s ARG 593 Cb -0.14 -3.19 0.07 0.00 -0.45 0.00 0.00 34.95 31.24 1tc2 s ARG 593 CO -0.03 0.23 0.89 1.41 -0.68 0.00 0.00 175.30 177.12 1tc2 s MET 594 N 0.49 3.12 0.11 3.54 -2.45 -1.26 -0.35 119.30 122.50 1tc2 s MET 594 Ca 0.02 -0.88 0.12 0.00 -1.25 0.00 0.00 55.69 53.70 1tc2 s MET 594 Cb -0.13 -4.21 -0.14 0.00 1.25 0.00 0.00 34.83 31.60 1tc2 s MET 594 CO 0.01 -1.71 1.12 -0.07 1.05 0.00 0.00 175.02 175.42 1tc2 h LEU 595 N 10.97 0.00 -7.12 4.11 3.38 -0.44 -3.46 115.31 122.76 1tc2 h LEU 595 Ca -0.29 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.63 1tc2 h LEU 595 Cb 1.08 0.00 -0.24 0.00 0.09 0.00 0.00 40.66 41.58 1tc2 h LEU 595 CO 1.15 0.82 -0.17 -0.22 0.09 0.00 0.00 178.44 180.11 1tc2 s LEU 596 N -6.38 -0.52 0.51 1.67 2.96 -0.83 -4.88 118.68 111.21 1tc2 s LEU 596 Ca -0.00 1.18 0.08 0.00 -0.22 0.00 0.00 54.13 55.16 1tc2 s LEU 596 Cb 0.09 1.80 0.04 0.00 0.50 0.00 0.00 46.19 48.62 1tc2 s LEU 596 CO 0.80 -0.22 0.56 -0.62 -1.32 0.00 0.00 176.35 175.55 1tc2 s ASP 597 N 1.66 5.02 0.60 3.68 -1.08 -1.26 -0.92 116.67 124.36 1tc2 s ASP 597 Ca -0.09 -0.89 -0.19 0.00 -0.52 0.00 0.00 52.55 50.86 1tc2 s ASP 597 Cb -0.08 0.02 -0.04 0.00 -1.46 0.00 0.00 42.92 41.37 1tc2 s ASP 597 CO -0.16 -1.04 1.15 0.35 0.52 0.00 0.00 175.17 175.99 1tc2 n THR 598 N -1.89 4.10 0.08 1.71 -2.24 -1.26 -4.77 114.28 110.00 1tc2 n THR 598 Ca 0.07 -0.50 -0.10 0.00 -2.27 0.00 0.00 64.05 61.25 1tc2 n THR 598 Cb 0.62 -1.36 -0.12 0.00 -2.10 0.00 0.00 70.33 67.37 1tc2 n THR 598 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 1tc2 h ARG 599 N 0.72 0.11 -6.05 -0.78 2.47 -1.97 -3.46 114.38 105.41 1tc2 h ARG 599 Ca -0.50 -0.18 -0.61 0.00 -1.26 0.00 0.00 59.98 57.44 1tc2 h ARG 599 Cb 1.34 0.07 -0.13 0.00 -1.65 0.00 0.00 29.97 29.60 1tc2 h ARG 599 CO 0.53 1.08 -0.70 -1.01 0.56 0.00 0.00 179.97 180.43 1tc2 s HIS 600 N -2.71 2.40 0.33 3.04 3.76 -1.26 -5.12 115.29 115.72 1tc2 s HIS 600 Ca -0.01 -0.42 -0.27 0.00 -0.15 0.00 0.00 55.06 54.21 1tc2 s HIS 600 Cb 0.09 -1.25 -0.09 0.00 1.11 0.00 0.00 32.58 32.43 1tc2 s HIS 600 CO 0.84 0.62 1.03 0.45 -0.85 0.00 0.00 174.74 176.84 1tc2 s SER 601 N -3.59 7.11 0.00 1.40 0.15 -1.26 -4.93 113.70 112.57 1tc2 s SER 601 Ca 0.32 2.06 0.24 0.00 0.70 0.00 0.00 55.95 59.27 1tc2 s SER 601 Cb -0.01 -2.60 0.29 0.00 -1.71 0.00 0.00 66.02 61.99 1tc2 s SER 601 CO 0.16 -0.24 1.28 2.30 1.20 0.00 0.00 173.24 177.94 1tc2 n ILE 602 N 0.58 0.00 -1.67 6.45 -5.35 -1.26 -4.93 119.36 113.18 1tc2 n ILE 602 Ca 0.02 -0.25 -0.47 0.00 -0.27 0.00 0.00 62.75 61.77 1tc2 n ILE 602 Cb 0.48 1.01 -0.04 0.00 -1.74 0.00 0.00 39.64 39.34 1tc2 n ILE 602 CO 0.00 0.00 0.00 1.21 -1.76 0.00 0.00 176.55 176.00 1tc2 n GLU 603 N -0.01 2.12 -0.97 6.28 2.13 -1.25 -1.25 120.64 127.69 1tc2 n GLU 603 Ca 0.11 0.77 0.00 0.00 0.66 0.00 0.00 57.16 58.70 1tc2 n GLU 603 Cb 0.45 -2.57 0.00 0.00 0.27 0.00 0.00 31.44 29.59 1tc2 n GLU 603 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1tc2 n GLY 604 N 3.80 0.76 3.71 8.31 0.00 -0.41 -4.87 105.19 116.49 1tc2 n GLY 604 Ca 0.19 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.98 1tc2 n GLY 604 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1tc2 s HIS 605 N -3.12 2.87 -0.31 1.61 3.76 -0.38 -4.14 115.29 115.57 1tc2 s HIS 605 Ca 0.00 -0.17 -0.25 0.00 -0.15 0.00 0.00 55.06 54.49 1tc2 s HIS 605 Cb 0.00 -1.29 0.01 0.00 1.11 0.00 0.00 32.58 32.41 1tc2 s HIS 605 CO 0.00 0.58 0.86 -1.01 -0.85 0.00 0.00 174.74 174.32 1tc2 s HIS 606 N -2.20 3.18 -0.07 1.40 3.76 -1.26 0.62 115.29 120.73 1tc2 s HIS 606 Ca 0.32 0.89 0.04 0.00 -0.15 0.00 0.00 55.06 56.15 1tc2 s HIS 606 Cb -0.07 -3.35 -0.02 0.00 1.11 0.00 0.00 32.58 30.25 1tc2 s HIS 606 CO 0.22 -0.63 -0.19 0.08 -0.85 0.00 0.00 174.74 173.36 1tc2 s VAL 607 N 3.14 2.56 -0.20 -0.90 1.01 -0.53 -0.72 120.40 124.77 1tc2 s VAL 607 Ca 0.36 -0.88 -0.00 0.00 0.00 0.00 0.00 61.98 61.45 1tc2 s VAL 607 Cb -0.14 -1.99 0.05 0.00 0.00 0.00 0.00 36.38 34.31 1tc2 s VAL 607 CO 0.14 0.57 -0.05 -0.22 0.00 0.00 0.00 175.10 175.54 1tc2 s LEU 608 N -0.24 2.02 0.09 3.92 2.96 0.54 -1.85 118.68 126.12 1tc2 s LEU 608 Ca -0.00 -0.92 -0.30 0.00 -0.22 0.00 0.00 54.13 52.69 1tc2 s LEU 608 Cb -0.13 -1.02 -0.06 0.00 0.50 0.00 0.00 46.19 45.49 1tc2 s LEU 608 CO 0.03 -0.22 1.10 -0.63 -1.32 0.00 0.00 176.35 175.31 1tc2 s ILE 609 N 1.54 4.23 -0.26 6.68 1.01 -0.33 -0.96 121.20 133.10 1tc2 s ILE 609 Ca -0.02 1.70 -0.03 0.00 0.00 0.00 0.00 60.65 62.30 1tc2 s ILE 609 Cb -0.17 -4.09 0.02 0.00 0.01 0.00 0.00 42.46 38.23 1tc2 s ILE 609 CO -0.07 0.19 -0.02 -0.69 0.00 0.00 0.00 174.94 174.35 1tc2 s VAL 610 N 0.57 3.16 0.12 2.92 1.01 0.17 -0.70 120.40 127.66 1tc2 s VAL 610 Ca 0.53 -0.94 0.09 0.00 0.00 0.00 0.00 61.98 61.66 1tc2 s VAL 610 Cb -0.27 -2.62 -0.04 0.00 0.00 0.00 0.00 36.38 33.46 1tc2 s VAL 610 CO 0.31 0.16 -0.21 -1.61 0.00 0.00 0.00 175.10 173.75 1tc2 s GLU 611 N 1.37 1.20 0.05 2.72 0.41 -0.61 -2.42 118.70 121.42 1tc2 s GLU 611 Ca 0.01 -1.25 -0.03 0.00 -0.41 0.00 0.00 54.97 53.28 1tc2 s GLU 611 Cb -0.17 -1.43 -0.28 0.00 -1.78 0.00 0.00 34.13 30.48 1tc2 s GLU 611 CO -0.03 0.32 1.03 0.38 -0.49 0.00 0.00 175.26 176.47 1tc2 h ASP 612 N 3.81 0.37 -4.24 -0.19 2.03 -1.87 -1.43 116.42 114.91 1tc2 h ASP 612 Ca -0.46 -0.45 -0.07 0.00 -0.73 0.00 0.00 57.03 55.33 1tc2 h ASP 612 Cb 1.19 -0.12 -0.21 0.00 -0.83 0.00 0.00 39.33 39.35 1tc2 h ASP 612 CO 0.43 1.36 0.04 -0.51 -1.03 0.00 0.00 179.24 179.53 1tc2 s ILE 613 N -2.64 0.00 -0.13 4.15 2.07 -1.26 -0.95 121.20 122.44 1tc2 s ILE 613 Ca -0.06 -0.03 0.01 0.00 -1.41 0.00 0.00 60.65 59.17 1tc2 s ILE 613 Cb 0.07 -0.88 -0.00 0.00 0.13 0.00 0.00 42.46 41.77 1tc2 s ILE 613 CO 0.87 -0.02 -0.17 0.54 -1.91 0.00 0.00 174.94 174.25 1tc2 s VAL 614 N -0.07 2.59 0.00 4.00 0.11 -0.08 -4.96 120.40 121.99 1tc2 s VAL 614 Ca -0.03 -0.81 0.00 0.00 -2.93 0.00 0.00 61.98 58.21 1tc2 s VAL 614 Cb -0.04 -2.07 0.00 0.00 -1.53 0.00 0.00 36.38 32.74 1tc2 s VAL 614 CO 0.03 0.53 0.00 -0.67 -3.33 0.00 0.00 175.10 171.66 1tc2 n ASP 615 N 3.79 0.00 0.24 3.54 2.03 -1.26 -1.15 116.55 123.74 1tc2 n ASP 615 Ca -0.19 0.00 0.15 0.00 0.52 0.00 0.00 54.79 55.27 1tc2 n ASP 615 Cb 0.52 0.00 0.51 0.00 -0.72 0.00 0.00 41.12 41.43 1tc2 n ASP 615 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 1tc2 h THR 616 N 0.00 0.00 0.00 5.18 1.35 -1.87 -2.51 112.91 115.05 1tc2 h THR 616 Ca 0.00 -0.61 0.00 0.00 -0.55 0.00 0.00 66.41 65.25 1tc2 h THR 616 Cb 0.00 1.59 0.00 0.00 -1.73 0.00 0.00 68.15 68.01 1tc2 h THR 616 CO 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.27 1tc2 n ALA 617 N -2.04 0.00 -0.23 6.62 0.00 -1.26 -0.53 120.51 123.07 1tc2 n ALA 617 Ca 0.02 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.41 1tc2 n ALA 617 Cb 0.37 -0.42 0.11 0.00 0.00 0.00 0.00 19.45 19.50 1tc2 n ALA 617 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1tc2 h LEU 618 N 0.00 0.99 0.52 0.00 3.38 -1.91 0.56 115.31 118.86 1tc2 h LEU 618 Ca 0.00 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 57.77 1tc2 h LEU 618 Cb 0.25 -0.26 0.01 0.00 0.09 0.00 0.00 40.66 40.75 1tc2 h LEU 618 CO 0.00 0.92 -0.25 0.74 0.09 0.00 0.00 178.44 179.94 1tc2 h THR 619 N 1.03 0.46 -0.25 0.22 2.02 -1.97 -1.48 112.91 112.93 1tc2 h THR 619 Ca 0.23 -0.18 -0.06 0.00 0.77 0.00 0.00 66.41 67.17 1tc2 h THR 619 Cb 0.27 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 67.21 1tc2 h THR 619 CO -0.01 0.03 -0.09 -0.07 0.37 0.00 0.00 175.52 175.75 1tc2 h LEU 620 N -0.81 0.39 -0.46 2.58 3.38 -1.95 -0.11 115.31 118.33 1tc2 h LEU 620 Ca -0.07 -0.09 -0.06 0.00 0.09 0.00 0.00 57.88 57.75 1tc2 h LEU 620 Cb 0.58 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 1tc2 h LEU 620 CO 0.12 0.52 0.05 -1.13 0.09 0.00 0.00 178.44 178.10 1tc2 h ASN 621 N 0.39 0.75 0.14 -0.43 -1.24 -0.84 0.23 115.58 114.56 1tc2 h ASN 621 Ca 0.08 -0.27 -0.01 0.00 0.71 0.00 0.00 56.30 56.81 1tc2 h ASN 621 Cb 0.40 -0.20 0.00 0.00 0.73 0.00 0.00 38.32 39.26 1tc2 h ASN 621 CO 0.02 0.83 -0.07 0.22 -1.29 0.00 0.00 177.43 177.15 1tc2 h TYR 622 N 0.63 -0.17 -0.47 0.67 3.20 -0.82 -1.93 116.97 118.09 1tc2 h TYR 622 Ca 0.14 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.02 1tc2 h TYR 622 Cb 0.42 0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.71 1tc2 h TYR 622 CO 0.03 -0.00 0.28 -0.07 -1.64 0.00 0.00 178.16 176.76 1tc2 h LEU 623 N -0.31 0.46 -0.24 2.82 3.38 -0.80 -1.82 115.31 118.80 1tc2 h LEU 623 Ca -0.02 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 1tc2 h LEU 623 Cb 0.25 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1tc2 h LEU 623 CO 0.03 0.33 0.14 1.88 0.09 0.00 0.00 178.44 180.91 1tc2 h TYR 624 N 0.57 0.32 0.00 1.13 -1.99 -0.53 -0.30 116.97 116.17 1tc2 h TYR 624 Ca 0.19 -0.00 -0.05 0.00 2.00 0.00 0.00 58.73 60.86 1tc2 h TYR 624 Cb 0.00 -0.10 -0.01 0.00 2.00 0.00 0.00 36.73 38.62 1tc2 h TYR 624 CO -0.07 0.27 -0.24 0.45 -0.00 0.00 0.00 178.16 178.57 1tc2 h HIS 625 N 0.29 0.00 0.17 4.88 3.86 -1.21 0.49 115.15 123.63 1tc2 h HIS 625 Ca 0.09 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.29 1tc2 h HIS 625 Cb 0.04 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.52 1tc2 h HIS 625 CO -0.04 0.24 -0.08 1.98 0.86 0.00 0.00 177.93 180.89 1tc2 h MET 626 N 0.00 -0.22 -0.11 2.45 1.85 -0.85 -3.32 114.93 114.73 1tc2 h MET 626 Ca -0.00 0.02 -0.09 0.00 -0.61 0.00 0.00 59.70 59.01 1tc2 h MET 626 Cb 0.46 0.05 -0.01 0.00 0.43 0.00 0.00 31.60 32.53 1tc2 h MET 626 CO 0.03 0.19 -0.34 1.88 -0.40 0.00 0.00 176.91 178.27 1tc2 h TYR 627 N -0.89 0.24 -0.77 1.39 0.99 -0.99 -3.12 116.97 113.83 1tc2 h TYR 627 Ca -0.02 -0.05 0.00 0.00 2.00 0.00 0.00 58.73 60.65 1tc2 h TYR 627 Cb 0.51 -0.06 -0.04 0.00 1.00 0.00 0.00 36.73 38.15 1tc2 h TYR 627 CO 0.08 0.53 0.49 0.35 -0.00 0.00 0.00 178.16 179.61 1tc2 h PHE 628 N 0.19 0.98 0.00 4.88 3.57 -1.02 -1.25 116.94 124.29 1tc2 h PHE 628 Ca 0.02 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.54 1tc2 h PHE 628 Cb 0.70 -0.33 0.00 0.00 2.79 0.00 0.00 35.95 39.11 1tc2 h PHE 628 CO 0.01 0.63 0.00 0.25 -2.23 0.00 0.00 178.31 176.97 1tc2 n THR 629 N -4.40 0.95 1.34 4.41 -2.24 -1.18 -2.35 114.28 110.80 1tc2 n THR 629 Ca 0.08 0.32 0.11 0.00 -2.27 0.00 0.00 64.05 62.29 1tc2 n THR 629 Cb 0.04 -1.23 0.41 0.00 -2.10 0.00 0.00 70.33 67.45 1tc2 n THR 629 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1tc2 n ARG 630 N -2.06 1.63 -3.53 -0.78 1.74 -0.47 -4.97 116.66 108.22 1tc2 n ARG 630 Ca 0.02 -0.95 -0.19 0.00 -0.77 0.00 0.00 57.85 55.95 1tc2 n ARG 630 Cb 0.18 -1.39 0.06 0.00 -1.02 0.00 0.00 32.46 30.29 1tc2 n ARG 630 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1tc2 n ARG 631 N 0.18 -4.87 -1.17 5.56 1.74 -0.99 -3.81 116.66 113.29 1tc2 n ARG 631 Ca 0.16 0.73 -0.30 0.00 -0.77 0.00 0.00 57.85 57.67 1tc2 n ARG 631 Cb 0.30 -5.46 0.14 0.00 -1.02 0.00 0.00 32.46 26.43 1tc2 n ARG 631 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1tc2 s PRO 632 N -5.51 1.14 0.36 5.56 0.04 -1.26 -1.28 135.00 134.05 1tc2 s PRO 632 Ca 0.10 0.82 0.09 0.00 0.04 0.00 0.00 61.00 62.05 1tc2 s PRO 632 Cb -0.02 -1.80 0.70 0.00 0.04 0.00 0.00 34.50 33.42 1tc2 s PRO 632 CO 0.77 -2.32 1.86 0.00 0.04 0.00 0.00 177.00 177.36 1tc2 h ALA 633 N -1.61 1.40 -2.03 8.56 0.00 0.03 -3.42 119.26 122.19 1tc2 h ALA 633 Ca -0.50 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.16 1tc2 h ALA 633 Cb 1.29 -0.09 -0.19 0.00 0.00 0.00 0.00 17.79 18.80 1tc2 h ALA 633 CO 0.54 0.41 0.32 -1.54 0.00 0.00 0.00 179.25 178.99 1tc2 s SER 634 N -6.87 -0.54 -0.06 0.00 1.04 -1.18 -4.93 113.70 101.16 1tc2 s SER 634 Ca -0.05 0.46 -0.02 0.00 0.48 0.00 0.00 55.95 56.82 1tc2 s SER 634 Cb 0.15 0.47 0.03 0.00 0.10 0.00 0.00 66.02 66.77 1tc2 s SER 634 CO 0.74 -0.58 0.05 -0.22 0.98 0.00 0.00 173.24 174.21 1tc2 s LEU 635 N -1.50 0.25 0.28 2.42 2.96 -1.26 -1.45 118.68 120.39 1tc2 s LEU 635 Ca -0.05 -0.04 0.03 0.00 -0.22 0.00 0.00 54.13 53.84 1tc2 s LEU 635 Cb -0.00 -0.20 -0.06 0.00 0.50 0.00 0.00 46.19 46.42 1tc2 s LEU 635 CO 0.03 -0.25 0.07 -0.54 -1.32 0.00 0.00 176.35 174.33 1tc2 s LYS 636 N 2.13 1.51 -0.01 1.98 3.01 -0.77 -5.04 119.74 122.56 1tc2 s LYS 636 Ca 0.05 -1.82 0.01 0.00 -1.01 0.00 0.00 55.97 53.20 1tc2 s LYS 636 Cb -0.13 -0.58 -0.00 0.00 -1.01 0.00 0.00 37.83 36.11 1tc2 s LYS 636 CO -0.04 -0.22 -0.04 0.99 0.51 0.00 0.00 175.35 176.55 1tc2 s THR 637 N -3.50 0.35 -0.12 2.17 2.01 -1.26 -1.19 115.64 114.10 1tc2 s THR 637 Ca 0.36 -0.17 0.02 0.00 0.31 0.00 0.00 61.69 62.21 1tc2 s THR 637 Cb 0.08 -0.31 0.01 0.00 0.01 0.00 0.00 72.50 72.29 1tc2 s THR 637 CO 0.14 0.11 -0.19 0.54 -0.69 0.00 0.00 174.62 174.53 1tc2 s VAL 638 N 0.01 1.80 -0.03 3.82 0.11 0.13 -1.66 120.40 124.56 1tc2 s VAL 638 Ca 0.00 -0.83 0.07 0.00 -2.93 0.00 0.00 61.98 58.30 1tc2 s VAL 638 Cb -0.03 -1.61 -0.02 0.00 -1.53 0.00 0.00 36.38 33.20 1tc2 s VAL 638 CO -0.00 0.50 -0.25 0.68 -3.33 0.00 0.00 175.10 172.69 1tc2 s VAL 639 N 0.85 2.07 0.01 2.04 -7.23 -0.10 -1.57 120.40 116.47 1tc2 s VAL 639 Ca -0.08 -1.09 -0.25 0.00 -1.81 0.00 0.00 61.98 58.75 1tc2 s VAL 639 Cb -0.15 -1.72 -0.18 0.00 0.56 0.00 0.00 36.38 34.88 1tc2 s VAL 639 CO -0.01 0.58 1.37 0.25 -0.31 0.00 0.00 175.10 176.98 1tc2 h LEU 640 N 5.70 -0.07 -8.45 1.32 5.85 -1.26 -1.54 115.31 116.86 1tc2 h LEU 640 Ca -0.39 -0.31 -0.60 0.00 0.84 0.00 0.00 57.88 57.42 1tc2 h LEU 640 Cb 1.14 0.02 -0.29 0.00 0.37 0.00 0.00 40.66 41.90 1tc2 h LEU 640 CO 0.47 0.28 -0.85 -0.76 -0.34 0.00 0.00 178.44 177.24 1tc2 s LEU 641 N -9.50 2.07 -0.12 2.25 1.43 -0.13 -0.92 118.68 113.76 1tc2 s LEU 641 Ca -0.15 -0.41 0.01 0.00 -1.03 0.00 0.00 54.13 52.55 1tc2 s LEU 641 Cb 0.03 -1.04 0.02 0.00 0.03 0.00 0.00 46.19 45.22 1tc2 s LEU 641 CO 0.64 0.23 -0.14 -0.62 0.23 0.00 0.00 176.35 176.70 1tc2 s ASP 642 N -0.64 2.48 -1.06 2.29 -1.08 0.30 -0.90 116.67 118.06 1tc2 s ASP 642 Ca 0.08 -0.43 -0.10 0.00 -0.52 0.00 0.00 52.55 51.58 1tc2 s ASP 642 Cb -0.08 -1.08 0.27 0.00 -1.46 0.00 0.00 42.92 40.56 1tc2 s ASP 642 CO -0.00 -0.03 1.05 -0.54 0.52 0.00 0.00 175.17 176.17 1tc2 s LYS 643 N 1.27 4.10 0.33 4.34 1.02 -0.30 -0.38 119.74 130.12 1tc2 s LYS 643 Ca -0.01 -3.10 0.19 0.00 0.02 0.00 0.00 55.97 53.07 1tc2 s LYS 643 Cb -0.14 -4.53 1.03 0.00 -0.52 0.00 0.00 37.83 33.67 1tc2 s LYS 643 CO -0.06 -1.25 1.54 2.89 -0.92 0.00 0.00 175.35 177.55 1tc2 n ARG 644 N 2.90 0.12 -1.27 1.68 1.85 -1.26 -2.01 116.66 118.67 1tc2 n ARG 644 Ca 0.22 0.62 -0.19 0.00 -1.00 0.00 0.00 57.85 57.50 1tc2 n ARG 644 Cb 0.40 -2.02 0.13 0.00 -1.05 0.00 0.00 32.46 29.92 1tc2 n ARG 644 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 1tc2 n GLU 645 N -2.20 2.50 0.00 2.89 1.02 -1.26 -4.35 120.64 119.23 1tc2 n GLU 645 Ca -0.01 -3.43 0.00 0.00 -0.02 0.00 0.00 57.16 53.70 1tc2 n GLU 645 Cb 0.14 -2.08 0.00 0.00 -0.02 0.00 0.00 31.44 29.48 1tc2 n GLU 645 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1tc2 n GLY 646 N -0.99 -1.11 3.72 0.62 0.00 -0.85 -5.02 105.19 101.57 1tc2 n GLY 646 Ca 0.46 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.06 1tc2 n GLY 646 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1tc2 n ARG 647 N -0.00 2.38 -0.02 1.61 5.12 -0.95 -3.38 116.66 121.43 1tc2 n ARG 647 Ca 0.00 0.84 0.01 0.00 -1.93 0.00 0.00 57.85 56.77 1tc2 n ARG 647 Cb 0.04 -2.52 -0.05 0.00 -1.16 0.00 0.00 32.46 28.77 1tc2 n ARG 647 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1tc2 n ARG 648 N 1.14 1.41 -4.08 5.56 1.74 0.32 -4.93 116.66 117.81 1tc2 n ARG 648 Ca 0.06 -0.04 -0.14 0.00 -0.77 0.00 0.00 57.85 56.96 1tc2 n ARG 648 Cb 0.36 -1.17 -0.13 0.00 -1.02 0.00 0.00 32.46 30.50 1tc2 n ARG 648 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1tc2 s VAL 649 N -2.35 0.38 0.30 1.55 0.11 -1.08 -5.09 120.40 114.24 1tc2 s VAL 649 Ca -0.03 -0.54 -0.29 0.00 -2.93 0.00 0.00 61.98 58.19 1tc2 s VAL 649 Cb 0.03 -0.39 -0.10 0.00 -1.53 0.00 0.00 36.38 34.39 1tc2 s VAL 649 CO 0.28 -0.11 1.31 -2.16 -3.33 0.00 0.00 175.10 171.09 1tc2 s PRO 650 N -0.70 4.37 -0.28 1.54 0.04 -1.26 -4.63 135.00 134.07 1tc2 s PRO 650 Ca -0.04 2.18 -0.16 0.00 0.04 0.00 0.00 61.00 63.03 1tc2 s PRO 650 Cb -0.05 -3.10 0.09 0.00 0.04 0.00 0.00 34.50 31.49 1tc2 s PRO 650 CO -0.00 -0.19 0.73 0.12 0.04 0.00 0.00 177.00 177.70 1tc2 s PHE 651 N -0.88 -1.01 -0.23 0.56 5.36 -1.26 -4.96 117.98 115.55 1tc2 s PHE 651 Ca 0.51 2.00 0.02 0.00 -0.96 0.00 0.00 56.93 58.49 1tc2 s PHE 651 Cb -0.39 0.61 0.05 0.00 -0.34 0.00 0.00 43.02 42.95 1tc2 s PHE 651 CO 0.49 -0.50 -0.10 0.45 -1.46 0.00 0.00 175.22 174.10 1tc2 s SER 652 N 1.69 3.94 0.52 6.13 0.15 -1.26 -5.07 113.70 119.80 1tc2 s SER 652 Ca -0.10 -1.17 -0.19 0.00 0.70 0.00 0.00 55.95 55.20 1tc2 s SER 652 Cb -0.05 -1.36 -0.07 0.00 -1.71 0.00 0.00 66.02 62.82 1tc2 s SER 652 CO -0.19 -0.18 1.04 0.00 1.20 0.00 0.00 173.24 175.11 1tc2 s ALA 653 N 1.27 2.84 0.23 5.45 0.00 -1.26 -4.96 121.76 125.32 1tc2 s ALA 653 Ca -0.05 0.53 0.04 0.00 0.00 0.00 0.00 51.96 52.47 1tc2 s ALA 653 Cb -0.18 -3.24 0.22 0.00 0.00 0.00 0.00 23.12 19.91 1tc2 s ALA 653 CO -0.07 -0.45 1.54 -0.44 0.00 0.00 0.00 175.76 176.34 1tc2 h ASP 654 N 1.20 0.29 -3.66 0.00 3.32 -1.70 -3.44 116.42 112.44 1tc2 h ASP 654 Ca -0.49 -0.17 -0.37 0.00 0.02 0.00 0.00 57.03 56.02 1tc2 h ASP 654 Cb 1.22 -0.09 -0.32 0.00 0.22 0.00 0.00 39.33 40.37 1tc2 h ASP 654 CO 0.59 0.84 -0.76 -0.31 -1.72 0.00 0.00 179.24 177.88 1tc2 s TYR 655 N -3.73 0.58 -0.09 4.55 1.51 -0.70 -5.01 117.35 114.46 1tc2 s TYR 655 Ca -0.04 -0.13 0.00 0.00 -1.01 0.00 0.00 57.07 55.90 1tc2 s TYR 655 Cb 0.12 -0.49 0.02 0.00 -0.11 0.00 0.00 41.96 41.50 1tc2 s TYR 655 CO 0.80 -0.10 -0.08 0.08 -1.11 0.00 0.00 175.55 175.14 1tc2 s VAL 656 N 0.49 0.93 0.08 0.71 1.01 -1.26 -0.93 120.40 121.43 1tc2 s VAL 656 Ca -0.06 -0.27 -0.11 0.00 0.00 0.00 0.00 61.98 61.54 1tc2 s VAL 656 Cb -0.09 -0.93 -0.26 0.00 0.00 0.00 0.00 36.38 35.09 1tc2 s VAL 656 CO -0.00 0.34 1.16 0.58 0.00 0.00 0.00 175.10 177.18 1tc2 h VAL 657 N 6.14 1.34 -2.09 2.92 2.07 -1.03 -3.47 116.25 122.13 1tc2 h VAL 657 Ca -0.30 -2.53 -0.05 0.00 0.82 0.00 0.00 66.70 64.63 1tc2 h VAL 657 Cb 1.15 2.65 -0.21 0.00 -1.52 0.00 0.00 31.29 33.35 1tc2 h VAL 657 CO 0.42 0.76 0.10 0.00 0.02 0.00 0.00 177.57 178.87 1tc2 s ALA 658 N -3.02 -1.69 -0.03 1.67 0.00 -0.10 -5.01 121.76 113.58 1tc2 s ALA 658 Ca -0.08 1.78 -0.11 0.00 0.00 0.00 0.00 51.96 53.55 1tc2 s ALA 658 Cb 0.07 -0.88 -0.05 0.00 0.00 0.00 0.00 23.12 22.25 1tc2 s ALA 658 CO 0.91 -0.33 0.31 -0.80 0.00 0.00 0.00 175.76 175.85 1tc2 s ASN 659 N 0.03 6.65 0.14 0.00 0.01 -1.26 -0.54 114.94 119.98 1tc2 s ASN 659 Ca -0.02 0.77 0.04 0.00 -0.71 0.00 0.00 52.86 52.94 1tc2 s ASN 659 Cb -0.04 -2.18 -0.04 0.00 0.41 0.00 0.00 41.25 39.40 1tc2 s ASN 659 CO 0.03 0.34 -0.10 0.27 -1.51 0.00 0.00 177.10 176.12 1tc2 s ILE 660 N -1.10 1.15 0.84 0.60 -4.36 0.49 -4.87 121.20 113.96 1tc2 s ILE 660 Ca 0.22 -2.04 -0.12 0.00 -0.26 0.00 0.00 60.65 58.45 1tc2 s ILE 660 Cb -0.15 -1.82 0.10 0.00 1.25 0.00 0.00 42.46 41.84 1tc2 s ILE 660 CO 0.11 -0.74 1.15 -2.84 0.24 0.00 0.00 174.94 172.86 1tc2 s PRO 661 N -3.70 1.72 -1.21 0.37 0.02 -1.26 -4.43 135.00 126.51 1tc2 s PRO 661 Ca 0.16 0.26 -0.18 0.00 0.02 0.00 0.00 61.00 61.26 1tc2 s PRO 661 Cb 0.02 -1.91 0.09 0.00 0.02 0.00 0.00 34.50 32.73 1tc2 s PRO 661 CO 0.00 -1.79 1.58 1.21 -0.33 0.00 0.00 177.00 177.67 1tc2 s ASN 662 N -4.28 6.82 0.03 2.53 3.04 -1.26 -4.87 114.94 116.95 1tc2 s ASN 662 Ca 0.62 -2.36 -0.02 0.00 0.04 0.00 0.00 52.86 51.14 1tc2 s ASN 662 Cb -0.13 -2.53 -0.02 0.00 -1.54 0.00 0.00 41.25 37.03 1tc2 s ASN 662 CO 0.51 -1.13 0.01 0.00 -3.04 0.00 0.00 177.10 173.45 1tc2 s ALA 663 N 3.69 0.12 -0.16 1.71 0.00 -1.26 -5.12 121.76 120.74 1tc2 s ALA 663 Ca 0.49 -0.66 -0.29 0.00 0.00 0.00 0.00 51.96 51.49 1tc2 s ALA 663 Cb 0.01 0.19 -0.01 0.00 0.00 0.00 0.00 23.12 23.31 1tc2 s ALA 663 CO 0.02 -0.24 1.21 0.12 0.00 0.00 0.00 175.76 176.87 1tc2 s PHE 664 N -2.16 3.00 0.01 0.00 5.36 -1.26 -5.01 117.98 117.93 1tc2 s PHE 664 Ca -0.09 1.13 0.03 0.00 -0.96 0.00 0.00 56.93 57.03 1tc2 s PHE 664 Cb -0.05 -3.45 -0.04 0.00 -0.34 0.00 0.00 43.02 39.15 1tc2 s PHE 664 CO -0.03 -1.41 -0.02 0.14 -1.46 0.00 0.00 175.22 172.44 1tc2 s VAL 665 N 3.20 3.98 0.16 3.12 -7.23 -1.26 -1.14 120.40 121.23 1tc2 s VAL 665 Ca 0.53 -0.72 -0.00 0.00 -1.81 0.00 0.00 61.98 59.98 1tc2 s VAL 665 Cb -0.21 -2.78 -0.04 0.00 0.56 0.00 0.00 36.38 33.91 1tc2 s VAL 665 CO 0.15 0.34 0.07 0.27 -0.31 0.00 0.00 175.10 175.61 1tc2 s ILE 666 N -1.09 0.19 0.00 -0.62 -4.36 -0.43 -4.56 121.20 110.33 1tc2 s ILE 666 Ca 0.20 -1.94 0.00 0.00 -0.26 0.00 0.00 60.65 58.64 1tc2 s ILE 666 Cb -0.11 -2.18 0.00 0.00 1.25 0.00 0.00 42.46 41.42 1tc2 s ILE 666 CO 0.11 -0.35 0.00 0.61 0.24 0.00 0.00 174.94 175.55 1tc2 n GLY 667 N -0.17 1.56 4.10 6.27 0.00 -0.02 -1.54 105.19 115.39 1tc2 n GLY 667 Ca -0.04 -1.94 -0.31 0.00 0.00 0.00 0.00 46.02 43.73 1tc2 n GLY 667 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1tc2 n TYR 668 N 1.85 -1.71 0.00 1.61 9.36 0.19 -1.04 117.16 127.42 1tc2 n TYR 668 Ca 0.00 0.77 0.00 0.00 3.32 0.00 0.00 57.90 61.99 1tc2 n TYR 668 Cb 0.00 -3.32 0.00 0.00 -0.63 0.00 0.00 39.34 35.39 1tc2 n TYR 668 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1tc2 n GLY 669 N -1.71 3.19 3.74 2.98 0.00 0.81 -4.51 105.19 109.68 1tc2 n GLY 669 Ca -0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.51 1tc2 n GLY 669 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1tc2 s LEU 670 N 0.00 4.57 0.32 0.99 1.43 -0.21 -4.27 118.68 121.51 1tc2 s LEU 670 Ca 0.00 1.98 0.03 0.00 -1.03 0.00 0.00 54.13 55.11 1tc2 s LEU 670 Cb 0.00 -3.61 -0.06 0.00 0.03 0.00 0.00 46.19 42.56 1tc2 s LEU 670 CO 0.00 -0.00 0.07 1.51 0.23 0.00 0.00 176.35 178.16 1tc2 s ASP 671 N -0.67 2.13 -0.17 2.29 -4.77 -1.26 -0.84 116.67 113.37 1tc2 s ASP 671 Ca 0.44 -1.40 -0.04 0.00 -3.30 0.00 0.00 52.55 48.25 1tc2 s ASP 671 Cb -0.27 0.01 0.06 0.00 -1.09 0.00 0.00 42.92 41.63 1tc2 s ASP 671 CO 0.33 -0.66 0.06 -0.47 0.70 0.00 0.00 175.17 175.14 1tc2 s TYR 672 N -3.40 0.53 -1.34 2.11 5.04 -1.04 -4.81 117.35 114.45 1tc2 s TYR 672 Ca 0.36 -0.49 -0.05 0.00 -2.44 0.00 0.00 57.07 54.45 1tc2 s TYR 672 Cb 0.08 -0.82 0.02 0.00 0.35 0.00 0.00 41.96 41.59 1tc2 s TYR 672 CO 0.15 -0.53 0.92 -3.47 -1.34 0.00 0.00 175.55 171.28 1tc2 n ASP 673 N 5.19 -3.05 -2.74 4.32 2.03 -1.25 -1.96 116.55 119.08 1tc2 n ASP 673 Ca -0.08 -0.72 -0.19 0.00 0.52 0.00 0.00 54.79 54.33 1tc2 n ASP 673 Cb 0.48 -4.45 0.00 0.00 -0.72 0.00 0.00 41.12 36.44 1tc2 n ASP 673 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1tc2 n ASP 674 N -3.02 -4.85 -4.29 1.67 10.43 -1.26 -4.97 116.55 110.26 1tc2 n ASP 674 Ca -0.17 -0.08 -0.22 0.00 2.57 0.00 0.00 54.79 56.89 1tc2 n ASP 674 Cb 0.62 -4.02 -0.12 0.00 1.84 0.00 0.00 41.12 39.44 1tc2 n ASP 674 CO 0.00 0.00 0.00 -0.89 -1.07 0.00 0.00 177.20 175.24 1tc2 s THR 675 N -2.90 1.68 0.00 -3.53 2.01 -0.83 -4.77 115.64 107.29 1tc2 s THR 675 Ca 0.15 -1.65 0.00 0.00 0.31 0.00 0.00 61.69 60.50 1tc2 s THR 675 Cb -0.07 -1.61 0.00 0.00 0.01 0.00 0.00 72.50 70.83 1tc2 s THR 675 CO 0.18 -0.17 0.00 -1.22 -0.69 0.00 0.00 174.62 172.72 1tc2 n TYR 676 N 0.83 0.00 0.32 4.92 4.02 -1.26 -2.48 117.16 123.50 1tc2 n TYR 676 Ca -0.17 0.00 0.20 0.00 -0.01 0.00 0.00 57.90 57.91 1tc2 n TYR 676 Cb 0.55 -0.55 1.06 0.00 -0.02 0.00 0.00 39.34 40.38 1tc2 n TYR 676 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1tc2 h ARG 677 N 1.41 0.00 -0.00 -0.72 3.08 -1.85 -2.91 114.38 113.39 1tc2 h ARG 677 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1tc2 h ARG 677 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.20 1tc2 h ARG 677 CO 0.00 0.01 -0.16 -0.85 -1.07 0.00 0.00 179.97 177.90 1tc2 n GLU 678 N -3.32 0.05 -1.74 0.04 0.00 -1.26 -0.13 120.64 114.27 1tc2 n GLU 678 Ca -0.03 -0.01 -0.41 0.00 0.00 0.00 0.00 57.16 56.71 1tc2 n GLU 678 Cb 0.11 -1.50 0.01 0.00 0.00 0.00 0.00 31.44 30.06 1tc2 n GLU 678 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1tc2 n LEU 679 N -1.47 4.49 0.16 -1.84 4.77 -1.12 -4.79 117.00 117.20 1tc2 n LEU 679 Ca 0.07 1.15 0.03 0.00 -0.03 0.00 0.00 56.01 57.23 1tc2 n LEU 679 Cb 0.33 -1.56 0.17 0.00 -2.33 0.00 0.00 43.42 40.03 1tc2 n LEU 679 CO 0.29 -0.31 0.55 0.03 -1.33 0.00 0.00 177.39 176.62 1tc2 h ARG 680 N 2.37 0.00 -6.12 3.23 3.08 -1.93 0.56 114.38 115.57 1tc2 h ARG 680 Ca -0.49 0.00 -0.54 0.00 0.07 0.00 0.00 59.98 59.02 1tc2 h ARG 680 Cb 1.27 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 31.25 1tc2 h ARG 680 CO 0.61 0.48 -0.53 -0.51 -1.07 0.00 0.00 179.97 178.95 1tc2 s ASP 681 N -6.46 4.80 -0.25 7.04 1.01 -1.26 -3.84 116.67 117.71 1tc2 s ASP 681 Ca 0.02 -0.69 -0.10 0.00 0.71 0.00 0.00 52.55 52.48 1tc2 s ASP 681 Cb 0.09 -0.81 -0.05 0.00 1.01 0.00 0.00 42.92 43.16 1tc2 s ASP 681 CO 0.72 -0.27 0.16 -0.63 0.21 0.00 0.00 175.17 175.37 1tc2 s ILE 682 N -2.38 5.26 0.23 0.77 1.01 -0.26 -3.74 121.20 122.08 1tc2 s ILE 682 Ca 0.37 0.15 0.03 0.00 0.00 0.00 0.00 60.65 61.21 1tc2 s ILE 682 Cb -0.04 -3.47 -0.05 0.00 0.01 0.00 0.00 42.46 38.91 1tc2 s ILE 682 CO 0.23 0.32 -0.00 0.68 0.00 0.00 0.00 174.94 176.17 1tc2 s VAL 683 N 1.27 1.01 -0.23 2.92 -7.23 -0.59 0.09 120.40 117.63 1tc2 s VAL 683 Ca 0.07 -2.03 -0.15 0.00 -1.81 0.00 0.00 61.98 58.06 1tc2 s VAL 683 Cb -0.14 -2.32 -0.04 0.00 0.56 0.00 0.00 36.38 34.44 1tc2 s VAL 683 CO 0.06 -0.34 0.38 -0.69 -0.31 0.00 0.00 175.10 174.20 1tc2 s VAL 684 N -3.44 5.20 -0.01 1.32 1.01 0.39 -1.31 120.40 123.56 1tc2 s VAL 684 Ca 0.28 0.62 -0.30 0.00 0.00 0.00 0.00 61.98 62.58 1tc2 s VAL 684 Cb 0.06 -3.70 -0.04 0.00 0.00 0.00 0.00 36.38 32.69 1tc2 s VAL 684 CO 0.08 0.22 1.15 -0.22 0.00 0.00 0.00 175.10 176.33 1tc2 s LEU 685 N 1.60 4.33 0.24 3.92 2.96 -0.29 -0.16 118.68 131.27 1tc2 s LEU 685 Ca 0.17 1.84 -0.31 0.00 -0.22 0.00 0.00 54.13 55.61 1tc2 s LEU 685 Cb -0.15 -3.57 -0.11 0.00 0.50 0.00 0.00 46.19 42.86 1tc2 s LEU 685 CO 0.08 -0.48 1.58 -0.13 -1.32 0.00 0.00 176.35 176.09 1tc2 s ARG 686 N 1.58 4.17 0.51 1.98 0.52 -0.13 -4.73 118.95 122.84 1tc2 s ARG 686 Ca 0.56 2.48 0.16 0.00 -0.52 0.00 0.00 55.73 58.41 1tc2 s ARG 686 Cb -0.25 -3.08 1.23 0.00 0.52 0.00 0.00 34.95 33.37 1tc2 s ARG 686 CO 0.25 -0.61 2.11 -1.35 0.02 0.00 0.00 175.30 175.73 1tc2 h PRO 687 N 5.74 0.00 0.00 3.54 0.11 -1.94 -1.07 132.00 138.38 1tc2 h PRO 687 Ca -0.45 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.64 1tc2 h PRO 687 Cb 1.21 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 1tc2 h PRO 687 CO 0.85 0.05 -0.09 0.93 -0.21 0.00 0.00 178.00 179.53 1tc2 h GLU 688 N 0.00 0.00 0.00 1.05 3.07 -1.97 0.13 114.58 116.86 1tc2 h GLU 688 Ca -0.00 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 58.83 1tc2 h GLU 688 Cb 0.09 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.00 1tc2 h GLU 688 CO 0.01 0.09 -0.12 0.28 -1.40 0.00 0.00 179.01 177.87 1tc2 h VAL 689 N 0.00 1.60 0.00 3.13 2.07 -1.55 -2.91 116.25 118.59 1tc2 h VAL 689 Ca -0.00 -1.93 -0.11 0.00 0.82 0.00 0.00 66.70 65.47 1tc2 h VAL 689 Cb 0.20 2.87 -0.02 0.00 -1.52 0.00 0.00 31.29 32.83 1tc2 h VAL 689 CO 0.01 0.51 -0.54 0.10 0.02 0.00 0.00 177.57 177.68 1tc2 h TYR 690 N -0.67 0.00 -0.31 1.57 -0.00 -1.35 -2.53 116.97 113.68 1tc2 h TYR 690 Ca -0.02 0.00 -0.15 0.00 0.00 0.00 0.00 58.73 58.56 1tc2 h TYR 690 Cb 0.91 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.63 1tc2 h TYR 690 CO 0.20 0.54 -0.41 0.00 -0.00 0.00 0.00 178.16 178.48 1tc2 h ALA 691 N 1.46 0.69 -0.17 0.10 0.00 -0.85 0.39 119.26 120.89 1tc2 h ALA 691 Ca -0.01 -0.46 -0.03 0.00 0.00 0.00 0.00 54.91 54.42 1tc2 h ALA 691 Cb 1.11 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 1tc2 h ALA 691 CO 0.07 0.67 -0.02 1.49 0.00 0.00 0.00 179.25 181.46 1tc2 h GLU 692 N 0.62 0.32 -0.58 0.00 4.81 -1.48 0.13 114.58 118.40 1tc2 h GLU 692 Ca 0.05 -0.11 -0.08 0.00 -0.13 0.00 0.00 59.36 59.08 1tc2 h GLU 692 Cb 0.97 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.30 1tc2 h GLU 692 CO 0.09 0.56 0.03 -0.09 -0.73 0.00 0.00 179.01 178.87 1tc2 h ARG 693 N 0.05 0.99 -0.70 1.92 9.65 -1.29 0.72 114.38 125.72 1tc2 h ARG 693 Ca 0.05 -0.28 -0.07 0.00 -1.10 0.00 0.00 59.98 58.57 1tc2 h ARG 693 Cb 0.43 -0.11 -0.03 0.00 -1.39 0.00 0.00 29.97 28.87 1tc2 h ARG 693 CO 0.01 0.95 0.16 0.93 2.80 0.00 0.00 179.97 184.83 1tc2 h GLU 694 N 0.92 1.12 0.23 0.20 4.39 -0.08 0.54 114.58 121.90 1tc2 h GLU 694 Ca 0.17 -0.27 -0.01 0.00 0.34 0.00 0.00 59.36 59.59 1tc2 h GLU 694 Cb 0.49 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 29.00 1tc2 h GLU 694 CO 0.02 0.99 -0.11 0.00 -1.16 0.00 0.00 179.01 178.75 1tc2 h ALA 695 N 1.11 -0.31 -0.72 3.43 0.00 -0.11 0.26 119.26 122.92 1tc2 h ALA 695 Ca 0.22 -0.09 0.10 0.00 0.00 0.00 0.00 54.91 55.13 1tc2 h ALA 695 Cb 0.38 0.12 -0.07 0.00 0.00 0.00 0.00 17.79 18.22 1tc2 h ALA 695 CO 0.00 -0.64 0.36 0.00 0.00 0.00 0.00 179.25 178.97 1tc2 h ALA 696 N 0.37 1.00 -0.19 0.00 0.00 -0.67 -1.27 119.26 118.50 1tc2 h ALA 696 Ca -0.03 0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.83 1tc2 h ALA 696 Cb 0.29 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1tc2 h ALA 696 CO 0.05 -0.06 -0.35 0.00 0.00 0.00 0.00 179.25 178.89 1tc2 h ARG 697 N 0.60 0.39 0.00 0.00 3.08 -0.58 -3.51 114.38 114.36 1tc2 h ARG 697 Ca 0.36 -0.17 0.00 0.00 0.07 0.00 0.00 59.98 60.23 1tc2 h ARG 697 Cb 0.39 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.44 1tc2 h ARG 697 CO -0.28 0.70 0.00 1.04 -1.07 0.00 0.00 179.97 180.36