#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d2n s ASP 506 N 0.00 6.27 0.04 4.31 1.01 -1.26 -4.90 116.67 122.14 1d2n s ASP 506 Ca 0.00 -0.68 0.04 0.00 0.71 0.00 0.00 52.55 52.63 1d2n s ASP 506 Cb 0.00 -2.33 -0.24 0.00 1.01 0.00 0.00 42.92 41.36 1d2n s ASP 506 CO 0.00 -0.94 0.99 1.88 0.21 0.00 0.00 175.17 177.32 1d2n h TYR 507 N 9.03 0.18 -0.98 4.23 -1.99 -1.99 -3.28 116.97 122.17 1d2n h TYR 507 Ca -0.27 -0.13 0.25 0.00 2.00 0.00 0.00 58.73 60.59 1d2n h TYR 507 Cb 1.09 -0.01 -0.06 0.00 2.00 0.00 0.00 36.73 39.75 1d2n h TYR 507 CO 0.78 1.14 0.66 0.00 -0.00 0.00 0.00 178.16 180.74 1d2n h ALA 508 N 0.81 2.49 -0.34 3.88 0.00 -1.90 0.76 119.26 124.96 1d2n h ALA 508 Ca -0.16 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.66 1d2n h ALA 508 Cb 1.92 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.72 1d2n h ALA 508 CO 0.13 -0.81 -0.21 1.03 0.00 0.00 0.00 179.25 179.39 1d2n h SER 509 N 0.25 0.65 0.14 0.00 0.87 -1.99 -2.83 113.55 110.64 1d2n h SER 509 Ca 0.51 -0.22 0.00 0.00 -1.23 0.00 0.00 61.79 60.85 1d2n h SER 509 Cb 1.54 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 63.33 1d2n h SER 509 CO -0.15 0.86 -0.60 -1.22 -0.53 0.00 0.00 176.83 175.18 1d2n n TYR 510 N -4.13 0.00 -3.02 2.24 4.02 0.22 -4.35 117.16 112.15 1d2n n TYR 510 Ca 0.00 0.00 -0.21 0.00 -0.01 0.00 0.00 57.90 57.68 1d2n n TYR 510 Cb 0.41 -0.07 -0.03 0.00 -0.02 0.00 0.00 39.34 39.63 1d2n n TYR 510 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 176.86 174.96 1d2n n ILE 511 N -0.90 1.15 0.25 -0.72 5.41 0.14 -3.78 119.36 120.92 1d2n n ILE 511 Ca 0.07 -4.80 0.09 0.00 1.00 0.00 0.00 62.75 59.12 1d2n n ILE 511 Cb 0.38 -0.61 0.68 0.00 -0.71 0.00 0.00 39.64 39.38 1d2n n ILE 511 CO 0.00 0.00 0.00 0.24 0.00 0.00 0.00 176.55 176.79 1d2n h MET 512 N 2.97 0.00 -0.62 0.38 2.86 -1.70 -3.11 114.93 115.71 1d2n h MET 512 Ca 0.10 0.00 -0.43 0.00 -2.06 0.00 0.00 59.70 57.31 1d2n h MET 512 Cb 0.83 0.00 -0.41 0.00 0.06 0.00 0.00 31.60 32.09 1d2n h MET 512 CO 0.63 0.00 -0.90 0.09 1.06 0.00 0.00 176.91 177.78 1d2n n ASN 513 N -4.44 3.73 -0.83 1.22 3.02 -1.26 -5.09 115.26 111.61 1d2n n ASN 513 Ca -0.02 -3.20 0.00 0.00 -0.03 0.00 0.00 54.58 51.33 1d2n n ASN 513 Cb 0.11 -0.39 0.00 0.00 -0.61 0.00 0.00 39.78 38.89 1d2n n ASN 513 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1d2n n GLY 514 N -0.67 -1.02 2.70 7.41 0.00 -1.18 -4.69 105.19 107.74 1d2n n GLY 514 Ca 0.31 -1.04 -0.29 0.00 0.00 0.00 0.00 46.02 44.99 1d2n n GLY 514 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1d2n s ILE 515 N 0.00 1.38 0.20 -0.61 -1.09 -1.26 -4.99 121.20 114.84 1d2n s ILE 515 Ca 0.00 -2.58 -0.25 0.00 -2.23 0.00 0.00 60.65 55.59 1d2n s ILE 515 Cb 0.00 -1.96 -0.08 0.00 -1.58 0.00 0.00 42.46 38.83 1d2n s ILE 515 CO 0.00 -0.91 0.80 0.27 -1.23 0.00 0.00 174.94 173.87 1d2n s ILE 516 N 0.31 4.35 -1.36 2.92 -4.36 -1.26 -4.97 121.20 116.84 1d2n s ILE 516 Ca 0.18 1.68 -0.12 0.00 -0.26 0.00 0.00 60.65 62.13 1d2n s ILE 516 Cb -0.23 -4.09 0.11 0.00 1.25 0.00 0.00 42.46 39.50 1d2n s ILE 516 CO -0.01 0.41 1.99 0.29 0.24 0.00 0.00 174.94 177.87 1d2n n LYS 517 N 1.28 3.24 0.26 0.37 4.76 -1.26 -4.73 118.16 122.09 1d2n n LYS 517 Ca -0.04 -3.13 0.16 0.00 -2.87 0.00 0.00 58.31 52.44 1d2n n LYS 517 Cb 0.49 -3.13 0.61 0.00 -1.84 0.00 0.00 35.03 31.16 1d2n n LYS 517 CO 0.00 0.00 0.00 0.11 -1.37 0.00 0.00 177.40 176.14 1d2n h TRP 518 N 6.07 0.00 -2.43 2.13 5.08 -1.90 -3.47 115.95 121.43 1d2n h TRP 518 Ca 0.47 0.00 0.17 0.00 1.08 0.00 0.00 58.89 60.61 1d2n h TRP 518 Cb 0.67 0.00 -0.06 0.00 -3.00 0.00 0.00 29.16 26.77 1d2n h TRP 518 CO 1.34 0.00 0.53 0.20 -1.28 0.00 0.00 178.44 179.24 1d2n s GLY 519 N -4.15 -0.05 0.48 11.11 0.00 -1.26 -4.55 107.32 108.89 1d2n s GLY 519 Ca 0.02 -0.11 0.13 0.00 0.00 0.00 0.00 44.72 44.76 1d2n s GLY 519 CO 0.55 1.11 2.10 -0.55 0.00 0.00 0.00 173.10 176.31 1d2n h ASP 520 N 2.00 0.14 -0.77 1.64 3.32 -2.01 -2.64 116.42 118.10 1d2n h ASP 520 Ca -0.26 -0.01 0.10 0.00 0.02 0.00 0.00 57.03 56.88 1d2n h ASP 520 Cb 1.22 -0.04 -0.05 0.00 0.22 0.00 0.00 39.33 40.69 1d2n h ASP 520 CO 0.31 0.13 0.50 -0.65 -1.72 0.00 0.00 179.24 177.81 1d2n h PRO 521 N 0.16 0.67 -0.39 3.56 0.11 -1.99 -0.86 132.00 133.26 1d2n h PRO 521 Ca 0.04 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.11 1d2n h PRO 521 Cb 0.03 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 30.98 1d2n h PRO 521 CO -0.01 0.44 0.24 0.28 -0.21 0.00 0.00 178.00 178.74 1d2n h VAL 522 N 0.69 1.13 -0.66 3.15 2.07 -1.85 -0.41 116.25 120.37 1d2n h VAL 522 Ca 0.35 -0.29 -0.08 0.00 0.82 0.00 0.00 66.70 67.50 1d2n h VAL 522 Cb 0.45 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 30.81 1d2n h VAL 522 CO -0.13 0.13 0.11 0.74 0.02 0.00 0.00 177.57 178.44 1d2n h THR 523 N 0.52 1.26 -0.13 2.57 2.02 -1.46 -2.36 112.91 115.33 1d2n h THR 523 Ca 0.14 -1.03 0.00 0.00 0.77 0.00 0.00 66.41 66.30 1d2n h THR 523 Cb 0.00 0.64 -0.01 0.00 -1.74 0.00 0.00 68.15 67.04 1d2n h THR 523 CO -0.03 0.38 0.08 -0.09 0.37 0.00 0.00 175.52 176.24 1d2n h ARG 524 N 1.01 0.18 -0.15 6.66 2.43 -0.77 0.11 114.38 123.86 1d2n h ARG 524 Ca 0.20 -0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.38 1d2n h ARG 524 Cb 0.43 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.92 1d2n h ARG 524 CO 0.01 0.15 -0.01 0.28 -1.51 0.00 0.00 179.97 178.89 1d2n h VAL 525 N 0.16 0.88 -0.63 0.20 2.07 -0.95 0.18 116.25 118.15 1d2n h VAL 525 Ca 0.05 -0.01 -0.06 0.00 0.82 0.00 0.00 66.70 67.49 1d2n h VAL 525 Cb 0.01 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 30.60 1d2n h VAL 525 CO -0.01 0.01 0.14 -0.07 0.02 0.00 0.00 177.57 177.66 1d2n h LEU 526 N 0.03 0.97 -0.41 2.57 3.38 -1.26 -0.89 115.31 119.70 1d2n h LEU 526 Ca 0.07 -0.24 -0.08 0.00 0.09 0.00 0.00 57.88 57.72 1d2n h LEU 526 Cb 0.09 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 1d2n h LEU 526 CO -0.13 0.96 -0.05 0.44 0.09 0.00 0.00 178.44 179.75 1d2n h ASP 527 N 0.94 0.76 0.29 -0.43 3.32 -0.52 -1.28 116.42 119.50 1d2n h ASP 527 Ca 0.20 -0.34 -0.08 0.00 0.02 0.00 0.00 57.03 56.83 1d2n h ASP 527 Cb 0.37 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 1d2n h ASP 527 CO 0.00 0.92 -0.35 0.44 -1.72 0.00 0.00 179.24 178.53 1d2n h ASP 528 N 0.59 0.10 -0.45 6.45 3.32 -0.88 -1.95 116.42 123.60 1d2n h ASP 528 Ca 0.11 -0.03 -0.07 0.00 0.02 0.00 0.00 57.03 57.06 1d2n h ASP 528 Cb 0.56 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 40.06 1d2n h ASP 528 CO 0.03 0.44 0.02 1.23 -1.72 0.00 0.00 179.24 179.24 1d2n h GLY 529 N 1.09 0.84 1.64 2.75 0.00 -0.85 -2.57 103.07 105.98 1d2n h GLY 529 Ca 0.01 -0.61 -0.07 0.00 0.00 0.00 0.00 47.33 46.66 1d2n h GLY 529 CO 0.05 0.56 -0.16 -2.09 0.00 0.00 0.00 176.54 174.90 1d2n h GLU 530 N 0.63 0.44 -0.67 4.80 4.57 -0.85 -1.41 114.58 122.09 1d2n h GLU 530 Ca 0.13 -0.13 -0.06 0.00 -1.18 0.00 0.00 59.36 58.12 1d2n h GLU 530 Cb 0.47 -0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 28.99 1d2n h GLU 530 CO 0.02 0.59 0.18 -0.07 -1.18 0.00 0.00 179.01 178.55 1d2n h LEU 531 N 0.40 0.97 -0.56 1.64 3.38 -1.17 0.33 115.31 120.31 1d2n h LEU 531 Ca 0.07 -0.19 -0.15 0.00 0.09 0.00 0.00 57.88 57.70 1d2n h LEU 531 Cb 0.52 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1d2n h LEU 531 CO 0.03 0.92 -0.49 -0.07 0.09 0.00 0.00 178.44 178.92 1d2n h LEU 532 N 0.99 0.63 -0.38 1.67 3.38 -1.05 -0.88 115.31 119.67 1d2n h LEU 532 Ca 0.21 -0.32 -0.03 0.00 0.09 0.00 0.00 57.88 57.84 1d2n h LEU 532 Cb 0.32 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 1d2n h LEU 532 CO -0.00 1.02 0.12 0.58 0.09 0.00 0.00 178.44 180.25 1d2n h VAL 533 N 0.46 1.21 -0.62 1.22 2.07 -0.83 -0.73 116.25 119.03 1d2n h VAL 533 Ca 0.02 -0.69 -0.01 0.00 0.82 0.00 0.00 66.70 66.85 1d2n h VAL 533 Cb 1.03 0.94 -0.03 0.00 -1.52 0.00 0.00 31.29 31.71 1d2n h VAL 533 CO 0.10 0.24 0.35 -0.61 0.02 0.00 0.00 177.57 177.66 1d2n h GLN 534 N 0.47 0.86 -0.44 1.57 4.15 -0.77 -1.07 115.11 119.88 1d2n h GLN 534 Ca 0.12 -0.09 -0.02 0.00 0.77 0.00 0.00 58.65 59.43 1d2n h GLN 534 Cb 0.25 -0.17 -0.02 0.00 0.21 0.00 0.00 27.48 27.75 1d2n h GLN 534 CO -0.00 0.64 0.21 0.37 -1.93 0.00 0.00 178.83 178.11 1d2n h GLN 535 N 0.84 0.63 -0.79 1.69 4.15 -0.94 0.06 115.11 120.76 1d2n h GLN 535 Ca 0.22 -0.09 0.00 0.00 0.77 0.00 0.00 58.65 59.55 1d2n h GLN 535 Cb 0.02 -0.11 -0.04 0.00 0.21 0.00 0.00 27.48 27.56 1d2n h GLN 535 CO -0.04 0.55 0.50 1.15 -1.93 0.00 0.00 178.83 179.05 1d2n h THR 536 N 0.57 1.21 -0.24 2.39 2.02 -0.83 0.18 112.91 118.21 1d2n h THR 536 Ca 0.15 -0.44 -0.18 0.00 0.77 0.00 0.00 66.41 66.71 1d2n h THR 536 Cb 0.12 0.09 -0.00 0.00 -1.74 0.00 0.00 68.15 66.62 1d2n h THR 536 CO -0.02 0.22 -0.58 0.50 0.37 0.00 0.00 175.52 176.01 1d2n h LYS 537 N 1.07 0.77 0.00 6.66 3.64 -0.83 -3.37 116.57 124.52 1d2n h LYS 537 Ca 0.28 -0.51 0.00 0.00 -1.27 0.00 0.00 60.65 59.16 1d2n h LYS 537 Cb -0.08 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.81 1d2n h LYS 537 CO -0.06 1.13 -1.36 0.09 -2.27 0.00 0.00 179.45 176.99 1d2n n ASN 538 N -3.98 0.68 -4.76 4.20 3.02 -0.02 -4.98 115.26 109.41 1d2n n ASN 538 Ca -0.04 -0.55 -0.40 0.00 -0.03 0.00 0.00 54.58 53.56 1d2n n ASN 538 Cb 0.64 1.40 -0.06 0.00 -0.61 0.00 0.00 39.78 41.15 1d2n n ASN 538 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1d2n s SER 539 N -3.50 7.28 -0.15 6.41 0.15 0.04 -4.94 113.70 119.00 1d2n s SER 539 Ca 0.01 1.52 0.17 0.00 0.70 0.00 0.00 55.95 58.35 1d2n s SER 539 Cb 0.14 -2.47 -0.24 0.00 -1.71 0.00 0.00 66.02 61.73 1d2n s SER 539 CO 0.82 0.12 0.25 0.47 1.20 0.00 0.00 173.24 176.11 1d2n n ASP 540 N 2.17 0.24 -0.17 5.45 8.00 -1.26 -4.23 116.55 126.76 1d2n n ASP 540 Ca -0.05 0.12 -0.11 0.00 0.71 0.00 0.00 54.79 55.46 1d2n n ASP 540 Cb 0.50 0.74 0.01 0.00 -0.02 0.00 0.00 41.12 42.34 1d2n n ASP 540 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 1d2n h ARG 541 N 0.00 1.02 -2.53 -1.24 2.47 -1.97 -3.36 114.38 108.77 1d2n h ARG 541 Ca -0.46 -0.41 -0.60 0.00 -1.26 0.00 0.00 59.98 57.25 1d2n h ARG 541 Cb 2.13 -0.05 -0.41 0.00 -1.65 0.00 0.00 29.97 30.00 1d2n h ARG 541 CO 0.04 1.10 -0.69 0.25 0.56 0.00 0.00 179.97 181.23 1d2n n THR 542 N -4.12 1.31 0.30 2.04 -2.24 -1.26 -4.90 114.28 105.41 1d2n n THR 542 Ca 0.01 -4.73 0.18 0.00 -2.27 0.00 0.00 64.05 57.24 1d2n n THR 542 Cb 0.44 -2.06 0.85 0.00 -2.10 0.00 0.00 70.33 67.45 1d2n n THR 542 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1d2n h PRO 543 N 4.79 0.00 -4.95 -0.78 0.13 -1.73 -3.40 132.00 126.05 1d2n h PRO 543 Ca 0.17 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.64 1d2n h PRO 543 Cb 0.75 0.00 -0.31 0.00 0.13 0.00 0.00 31.00 31.57 1d2n h PRO 543 CO 0.69 0.00 -0.76 -1.17 -0.23 0.00 0.00 178.00 176.53 1d2n s LEU 544 N -5.94 2.95 -0.04 1.56 2.96 -1.26 -1.16 118.68 117.76 1d2n s LEU 544 Ca -0.01 -0.72 0.04 0.00 -0.22 0.00 0.00 54.13 53.22 1d2n s LEU 544 Cb 0.10 -1.65 -0.00 0.00 0.50 0.00 0.00 46.19 45.13 1d2n s LEU 544 CO 0.47 -0.08 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.56 1d2n s VAL 545 N 1.36 1.37 0.02 1.68 1.01 -0.64 -5.02 120.40 120.18 1d2n s VAL 545 Ca 0.02 -0.69 0.04 0.00 0.00 0.00 0.00 61.98 61.35 1d2n s VAL 545 Cb -0.15 -1.18 -0.02 0.00 0.00 0.00 0.00 36.38 35.03 1d2n s VAL 545 CO -0.05 0.40 -0.11 -0.94 0.00 0.00 0.00 175.10 174.39 1d2n s SER 546 N 0.01 1.33 -0.02 3.32 1.04 -1.26 -0.77 113.70 117.35 1d2n s SER 546 Ca -0.03 -0.34 -0.01 0.00 0.48 0.00 0.00 55.95 56.05 1d2n s SER 546 Cb -0.11 -0.10 0.01 0.00 0.10 0.00 0.00 66.02 65.92 1d2n s SER 546 CO 0.02 0.05 0.04 0.54 0.98 0.00 0.00 173.24 174.87 1d2n s VAL 547 N -0.62 -0.00 -0.29 5.02 0.11 0.37 -1.33 120.40 123.66 1d2n s VAL 547 Ca 0.01 0.01 -0.07 0.00 -2.93 0.00 0.00 61.98 59.01 1d2n s VAL 547 Cb -0.06 -0.07 0.01 0.00 -1.53 0.00 0.00 36.38 34.73 1d2n s VAL 547 CO 0.00 0.01 0.08 -0.22 -3.33 0.00 0.00 175.10 171.64 1d2n s LEU 548 N 0.09 3.82 -0.22 2.54 2.96 -0.83 -0.45 118.68 126.59 1d2n s LEU 548 Ca -0.01 -0.70 -0.23 0.00 -0.22 0.00 0.00 54.13 52.98 1d2n s LEU 548 Cb -0.01 -1.88 -0.01 0.00 0.50 0.00 0.00 46.19 44.79 1d2n s LEU 548 CO -0.00 -0.19 0.73 -0.76 -1.32 0.00 0.00 176.35 174.82 1d2n s LEU 549 N 1.50 4.11 0.04 -0.68 1.02 0.97 -0.77 118.68 124.87 1d2n s LEU 549 Ca 0.03 0.94 0.02 0.00 0.02 0.00 0.00 54.13 55.13 1d2n s LEU 549 Cb -0.17 -3.05 -0.02 0.00 0.02 0.00 0.00 46.19 42.97 1d2n s LEU 549 CO 0.02 -0.40 -0.06 -1.83 0.02 0.00 0.00 176.35 174.10 1d2n s GLU 550 N 2.40 0.48 0.00 1.70 4.04 -0.53 -1.88 118.70 124.91 1d2n s GLU 550 Ca 0.32 -0.74 0.00 0.00 0.04 0.00 0.00 54.97 54.59 1d2n s GLU 550 Cb -0.16 -0.18 0.00 0.00 0.02 0.00 0.00 34.13 33.82 1d2n s GLU 550 CO 0.09 0.02 0.00 0.41 -1.84 0.00 0.00 175.26 173.94 1d2n n GLY 551 N 1.44 -1.24 3.71 -3.83 0.00 -1.09 -0.05 105.19 104.14 1d2n n GLY 551 Ca -0.23 -0.87 -0.30 0.00 0.00 0.00 0.00 46.02 44.61 1d2n n GLY 551 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1d2n s PRO 552 N -0.56 1.42 0.52 1.61 0.02 -1.26 -4.14 135.00 132.62 1d2n s PRO 552 Ca 0.00 1.13 -0.23 0.00 0.02 0.00 0.00 61.00 61.93 1d2n s PRO 552 Cb 0.00 -1.80 -0.06 0.00 0.02 0.00 0.00 34.50 32.65 1d2n s PRO 552 CO 0.00 -2.22 1.34 -2.30 -0.33 0.00 0.00 177.00 173.49 1d2n n PRO 553 N -3.91 1.78 -1.00 5.54 -0.02 -1.26 -2.52 135.00 133.61 1d2n n PRO 553 Ca 0.09 0.65 -0.00 0.00 -2.02 0.00 0.00 63.50 62.21 1d2n n PRO 553 Cb 0.54 -2.54 -0.00 0.00 -0.02 0.00 0.00 33.50 31.48 1d2n n PRO 553 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1d2n n HIS 554 N -0.81 0.00 0.70 6.00 8.25 -1.26 -4.61 115.22 123.48 1d2n n HIS 554 Ca 0.09 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.66 1d2n n HIS 554 Cb 0.43 -1.13 0.47 0.00 1.12 0.00 0.00 29.99 30.89 1d2n n HIS 554 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1d2n n SER 555 N -0.55 0.22 0.00 0.41 3.41 -1.05 -1.51 113.62 114.56 1d2n n SER 555 Ca -0.00 0.53 0.00 0.00 -0.26 0.00 0.00 58.87 59.14 1d2n n SER 555 Cb 0.28 -0.59 0.00 0.00 -0.26 0.00 0.00 64.21 63.64 1d2n n SER 555 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1d2n n GLY 556 N 0.79 1.53 0.06 5.00 0.00 -1.26 -4.28 105.19 107.02 1d2n n GLY 556 Ca 0.05 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.95 1d2n n GLY 556 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1d2n h LYS 557 N 0.00 -0.03 -0.41 1.61 1.57 -1.91 -2.32 116.57 115.08 1d2n h LYS 557 Ca 0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1d2n h LYS 557 Cb 0.00 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.30 1d2n h LYS 557 CO 0.00 0.10 0.24 1.15 -0.57 0.00 0.00 179.45 180.37 1d2n h THR 558 N -0.16 1.13 -0.71 -0.16 2.02 -1.95 -0.40 112.91 112.67 1d2n h THR 558 Ca -0.00 -0.30 -0.03 0.00 0.77 0.00 0.00 66.41 66.85 1d2n h THR 558 Cb 0.15 0.60 -0.03 0.00 -1.74 0.00 0.00 68.15 67.12 1d2n h THR 558 CO 0.01 0.13 0.35 0.00 0.37 0.00 0.00 175.52 176.37 1d2n h ALA 559 N 1.11 0.92 -0.34 6.16 0.00 -1.65 -0.70 119.26 124.76 1d2n h ALA 559 Ca 0.15 -0.14 -0.12 0.00 0.00 0.00 0.00 54.91 54.80 1d2n h ALA 559 Cb 0.00 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1d2n h ALA 559 CO -0.03 0.48 -0.26 -0.07 0.00 0.00 0.00 179.25 179.37 1d2n h LEU 560 N 0.99 0.71 -0.41 0.00 3.38 -1.14 -0.45 115.31 118.40 1d2n h LEU 560 Ca 0.24 -0.26 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 1d2n h LEU 560 Cb 0.11 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 1d2n h LEU 560 CO -0.03 0.94 0.13 0.00 0.09 0.00 0.00 178.44 179.57 1d2n h ALA 561 N 1.11 0.54 -0.57 1.53 0.00 -0.74 -0.27 119.26 120.86 1d2n h ALA 561 Ca 0.08 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 1d2n h ALA 561 Cb 0.76 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 1d2n h ALA 561 CO 0.06 0.19 0.21 0.00 0.00 0.00 0.00 179.25 179.71 1d2n h ALA 562 N 0.98 1.29 -0.37 0.00 0.00 -0.91 -1.27 119.26 118.97 1d2n h ALA 562 Ca 0.13 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 1d2n h ALA 562 Cb 0.26 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1d2n h ALA 562 CO -0.00 0.52 -0.12 -0.22 0.00 0.00 0.00 179.25 179.43 1d2n h LYS 563 N 0.83 0.74 -0.57 0.00 1.63 -0.61 0.57 116.57 119.15 1d2n h LYS 563 Ca 0.19 -0.29 -0.02 0.00 -0.85 0.00 0.00 60.65 59.68 1d2n h LYS 563 Cb 0.19 -0.04 -0.03 0.00 -0.60 0.00 0.00 32.23 31.76 1d2n h LYS 563 CO -0.01 0.90 0.28 0.82 -3.45 0.00 0.00 179.45 177.98 1d2n h ILE 564 N 0.54 1.20 -0.49 2.00 2.04 -0.76 -0.29 117.51 121.76 1d2n h ILE 564 Ca 0.09 -0.57 -0.03 0.00 1.00 0.00 0.00 64.86 65.35 1d2n h ILE 564 Cb 0.64 0.53 -0.02 0.00 -0.74 0.00 0.00 36.82 37.23 1d2n h ILE 564 CO 0.04 0.23 0.17 0.00 0.00 0.00 0.00 178.15 178.59 1d2n h ALA 565 N 1.11 0.64 -0.48 1.87 0.00 -1.10 -2.54 119.26 118.76 1d2n h ALA 565 Ca 0.20 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1d2n h ALA 565 Cb 0.11 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1d2n h ALA 565 CO -0.03 0.27 0.25 1.49 0.00 0.00 0.00 179.25 181.24 1d2n h GLU 566 N 0.65 0.68 0.00 0.00 4.81 -0.55 -2.51 114.58 117.66 1d2n h GLU 566 Ca 0.16 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 1d2n h GLU 566 Cb 0.24 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.49 1d2n h GLU 566 CO -0.01 0.55 0.00 0.39 -0.73 0.00 0.00 179.01 179.21 1d2n n GLU 567 N -4.65 0.08 0.17 1.92 -0.58 -0.15 -2.76 120.64 114.67 1d2n n GLU 567 Ca 0.02 0.34 0.03 0.00 -0.42 0.00 0.00 57.16 57.13 1d2n n GLU 567 Cb 0.09 -1.66 0.26 0.00 -0.57 0.00 0.00 31.44 29.57 1d2n n GLU 567 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 1d2n h SER 568 N 0.00 0.00 -1.19 1.62 4.64 -1.02 -3.47 113.55 114.13 1d2n h SER 568 Ca 0.00 0.00 -0.39 0.00 -0.47 0.00 0.00 61.79 60.93 1d2n h SER 568 Cb 0.28 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 62.23 1d2n h SER 568 CO 0.00 0.46 -0.38 0.59 -0.87 0.00 0.00 176.83 176.64 1d2n n ASN 569 N -3.59 -5.33 -4.77 4.97 3.02 -1.11 -4.95 115.26 103.51 1d2n n ASN 569 Ca -0.00 0.39 -0.39 0.00 -0.03 0.00 0.00 54.58 54.55 1d2n n ASN 569 Cb 0.56 -4.48 -0.00 0.00 -0.61 0.00 0.00 39.78 35.24 1d2n n ASN 569 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1d2n s PHE 570 N -2.75 2.81 0.54 3.10 0.40 -1.26 -4.91 117.98 115.90 1d2n s PHE 570 Ca 0.00 1.42 0.23 0.00 -0.60 0.00 0.00 56.93 57.98 1d2n s PHE 570 Cb 0.00 -3.65 1.51 0.00 0.51 0.00 0.00 43.02 41.39 1d2n s PHE 570 CO 0.00 -2.07 2.18 -1.00 0.70 0.00 0.00 175.22 175.03 1d2n h PRO 571 N 2.59 0.00 -4.65 0.24 0.13 -1.93 -3.39 132.00 124.98 1d2n h PRO 571 Ca -0.50 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.04 1d2n h PRO 571 Cb 1.25 0.00 -0.36 0.00 0.13 0.00 0.00 31.00 32.02 1d2n h PRO 571 CO 0.62 0.03 -0.83 0.12 -0.23 0.00 0.00 178.00 177.71 1d2n s PHE 572 N -4.77 2.10 -0.03 1.56 5.36 -1.20 -5.08 117.98 115.92 1d2n s PHE 572 Ca -0.05 -1.15 -0.01 0.00 -0.96 0.00 0.00 56.93 54.76 1d2n s PHE 572 Cb 0.16 -1.55 0.03 0.00 -0.34 0.00 0.00 43.02 41.32 1d2n s PHE 572 CO 0.61 -0.63 0.04 0.42 -1.46 0.00 0.00 175.22 174.19 1d2n s ILE 573 N 1.42 -0.01 -0.02 3.12 1.01 -1.26 -1.09 121.20 124.37 1d2n s ILE 573 Ca 0.03 0.28 -0.02 0.00 0.00 0.00 0.00 60.65 60.95 1d2n s ILE 573 Cb -0.13 -0.18 0.01 0.00 0.01 0.00 0.00 42.46 42.18 1d2n s ILE 573 CO -0.09 0.15 0.06 -0.75 0.00 0.00 0.00 174.94 174.31 1d2n s LYS 574 N 1.61 0.04 -0.23 2.79 2.47 -0.67 -4.66 119.74 121.09 1d2n s LYS 574 Ca -0.02 0.13 -0.06 0.00 -1.56 0.00 0.00 55.97 54.46 1d2n s LYS 574 Cb -0.13 -0.05 -0.02 0.00 -1.46 0.00 0.00 37.83 36.18 1d2n s LYS 574 CO -0.03 -0.05 0.02 0.42 0.16 0.00 0.00 175.35 175.86 1d2n s ILE 575 N 0.35 3.92 -0.36 5.43 1.01 -1.26 -1.10 121.20 129.20 1d2n s ILE 575 Ca -0.03 -0.31 -0.19 0.00 0.00 0.00 0.00 60.65 60.13 1d2n s ILE 575 Cb -0.04 -2.81 -0.00 0.00 0.01 0.00 0.00 42.46 39.62 1d2n s ILE 575 CO -0.01 0.38 0.55 0.00 0.00 0.00 0.00 174.94 175.86 1d2n s SER 577 N 1.78 2.66 0.51 0.00 0.15 -1.26 -1.45 113.70 116.08 1d2n s SER 577 Ca 0.20 -0.75 0.28 0.00 0.70 0.00 0.00 55.95 56.39 1d2n s SER 577 Cb -0.15 -0.15 1.36 0.00 -1.71 0.00 0.00 66.02 65.37 1d2n s SER 577 CO 0.14 0.04 2.02 -0.65 1.20 0.00 0.00 173.24 175.99 1d2n h PRO 578 N 3.80 0.00 -0.93 5.44 0.11 -1.91 -3.31 132.00 135.20 1d2n h PRO 578 Ca -0.45 0.00 0.27 0.00 0.11 0.00 0.00 66.00 65.93 1d2n h PRO 578 Cb 1.19 0.00 -0.15 0.00 0.11 0.00 0.00 31.00 32.15 1d2n h PRO 578 CO 0.43 0.13 0.33 -0.44 -0.21 0.00 0.00 178.00 178.24 1d2n h ASP 579 N 0.00 0.13 -0.66 -2.05 5.19 -1.97 -0.97 116.42 116.10 1d2n h ASP 579 Ca -0.00 0.21 -0.18 0.00 -0.62 0.00 0.00 57.03 56.44 1d2n h ASP 579 Cb 0.44 0.25 -0.10 0.00 0.18 0.00 0.00 39.33 40.10 1d2n h ASP 579 CO 0.02 -0.18 0.20 0.29 -3.12 0.00 0.00 179.24 176.45 1d2n n LYS 580 N -5.20 3.65 -0.45 3.56 5.02 -1.25 -4.28 118.16 119.21 1d2n n LYS 580 Ca 0.25 -3.09 0.04 0.00 -2.02 0.00 0.00 58.31 53.50 1d2n n LYS 580 Cb 0.81 -2.17 0.06 0.00 -0.02 0.00 0.00 35.03 33.72 1d2n n LYS 580 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 1d2n n MET 581 N -0.18 0.54 -1.80 1.97 2.81 -0.37 -5.03 117.12 115.06 1d2n n MET 581 Ca 0.38 -1.78 -0.42 0.00 -1.81 0.00 0.00 57.70 54.06 1d2n n MET 581 Cb 1.31 -0.87 -0.03 0.00 -0.71 0.00 0.00 33.22 32.92 1d2n n MET 581 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 1d2n s ILE 582 N -1.20 2.22 0.00 2.02 1.01 -1.22 -1.41 121.20 122.63 1d2n s ILE 582 Ca 0.17 0.16 0.00 0.00 0.00 0.00 0.00 60.65 60.98 1d2n s ILE 582 Cb 0.16 -3.10 0.00 0.00 0.01 0.00 0.00 42.46 39.52 1d2n s ILE 582 CO -0.01 0.02 0.00 0.61 0.00 0.00 0.00 174.94 175.56 1d2n n GLY 583 N 3.61 2.21 3.77 6.18 0.00 -1.26 -5.00 105.19 114.70 1d2n n GLY 583 Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 1d2n n GLY 583 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1d2n s PHE 584 N -3.32 2.77 0.84 1.61 0.40 -0.50 -5.01 117.98 114.76 1d2n s PHE 584 Ca 0.00 1.30 -0.12 0.00 -0.60 0.00 0.00 56.93 57.51 1d2n s PHE 584 Cb 0.00 -3.84 0.09 0.00 0.51 0.00 0.00 43.02 39.79 1d2n s PHE 584 CO 0.00 -2.45 1.14 -1.54 0.70 0.00 0.00 175.22 173.07 1d2n s SER 585 N -0.40 4.22 0.18 1.36 1.04 -1.26 -4.82 113.70 114.01 1d2n s SER 585 Ca 0.53 0.98 -0.14 0.00 0.48 0.00 0.00 55.95 57.81 1d2n s SER 585 Cb -0.42 -1.59 0.14 0.00 0.10 0.00 0.00 66.02 64.25 1d2n s SER 585 CO 0.57 -2.11 1.75 -0.33 0.98 0.00 0.00 173.24 174.10 1d2n h GLU 586 N -1.19 0.33 -0.61 4.02 5.08 -2.00 -1.59 114.58 118.62 1d2n h GLU 586 Ca -0.48 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 1d2n h GLU 586 Cb 1.31 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 30.46 1d2n h GLU 586 CO 0.63 0.22 0.38 1.15 -1.00 0.00 0.00 179.01 180.39 1d2n h THR 587 N 0.34 1.17 -0.84 1.13 2.02 -1.97 -1.33 112.91 113.42 1d2n h THR 587 Ca 0.22 -0.35 -0.01 0.00 0.77 0.00 0.00 66.41 67.04 1d2n h THR 587 Cb 0.22 0.31 -0.04 0.00 -1.74 0.00 0.00 68.15 66.90 1d2n h THR 587 CO -0.22 0.17 0.48 0.00 0.37 0.00 0.00 175.52 176.32 1d2n h ALA 588 N 1.20 1.26 -0.31 6.16 0.00 -1.78 -0.86 119.26 124.94 1d2n h ALA 588 Ca 0.22 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 1d2n h ALA 588 Cb -0.05 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.39 1d2n h ALA 588 CO -0.04 0.61 -0.04 0.87 0.00 0.00 0.00 179.25 180.65 1d2n h LYS 589 N 1.17 0.57 -0.75 0.00 1.57 -0.88 -1.85 116.57 116.40 1d2n h LYS 589 Ca 0.30 -0.20 0.05 0.00 -1.87 0.00 0.00 60.65 58.93 1d2n h LYS 589 Cb -0.01 -0.04 -0.05 0.00 0.08 0.00 0.00 32.23 32.21 1d2n h LYS 589 CO -0.05 0.74 0.46 0.00 -0.57 0.00 0.00 179.45 180.02 1d2n h GLN 591 N 0.85 0.99 -0.70 0.00 5.75 -1.02 0.24 115.11 121.23 1d2n h GLN 591 Ca 0.32 -0.28 -0.05 0.00 -0.15 0.00 0.00 58.65 58.49 1d2n h GLN 591 Cb 0.13 -0.11 -0.03 0.00 1.07 0.00 0.00 27.48 28.54 1d2n h GLN 591 CO -0.16 0.95 0.23 0.00 -2.65 0.00 0.00 178.83 177.21 1d2n h ALA 592 N 1.11 1.08 -0.19 3.38 0.00 -0.63 -1.77 119.26 122.25 1d2n h ALA 592 Ca 0.18 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 1d2n h ALA 592 Cb 0.48 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1d2n h ALA 592 CO 0.02 0.63 -0.17 0.52 0.00 0.00 0.00 179.25 180.25 1d2n h MET 593 N 1.04 0.45 -0.77 0.00 2.86 -0.74 -2.83 114.93 114.93 1d2n h MET 593 Ca 0.23 -0.23 0.06 0.00 -2.06 0.00 0.00 59.70 57.70 1d2n h MET 593 Cb 0.27 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 31.89 1d2n h MET 593 CO -0.01 0.79 0.51 0.87 1.06 0.00 0.00 176.91 180.13 1d2n h LYS 594 N 0.11 0.81 -0.26 1.72 1.57 -0.77 -1.51 116.57 118.24 1d2n h LYS 594 Ca 0.03 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1d2n h LYS 594 Cb 0.70 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.82 1d2n h LYS 594 CO 0.04 0.54 0.13 -0.22 -0.57 0.00 0.00 179.45 179.37 1d2n h LYS 595 N 0.84 0.37 -0.13 3.15 1.63 -1.23 0.13 116.57 121.33 1d2n h LYS 595 Ca 0.33 -0.05 -0.00 0.00 -0.85 0.00 0.00 60.65 60.08 1d2n h LYS 595 Cb 0.23 -0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 31.79 1d2n h LYS 595 CO -0.11 0.35 0.07 0.82 -3.45 0.00 0.00 179.45 177.13 1d2n h ILE 596 N 0.29 1.09 -0.42 2.00 2.04 -1.11 -1.55 117.51 119.85 1d2n h ILE 596 Ca 0.09 -0.26 -0.08 0.00 1.00 0.00 0.00 64.86 65.61 1d2n h ILE 596 Cb 0.10 1.04 -0.02 0.00 -0.74 0.00 0.00 36.82 37.21 1d2n h ILE 596 CO -0.01 0.08 -0.09 -0.26 0.00 0.00 0.00 178.15 177.88 1d2n h PHE 597 N 0.10 0.79 -0.73 1.37 -1.00 -1.20 -1.27 116.94 115.01 1d2n h PHE 597 Ca 0.04 -0.13 -0.02 0.00 2.81 0.00 0.00 57.97 60.68 1d2n h PHE 597 Cb 0.08 -0.21 -0.03 0.00 3.61 0.00 0.00 35.95 39.39 1d2n h PHE 597 CO -0.04 0.79 0.39 0.22 -1.61 0.00 0.00 178.31 178.06 1d2n h ASP 598 N 0.67 0.92 -0.65 2.17 3.58 -0.53 -0.02 116.42 122.55 1d2n h ASP 598 Ca 0.12 -0.10 -0.09 0.00 0.42 0.00 0.00 57.03 57.38 1d2n h ASP 598 Cb 0.54 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 41.33 1d2n h ASP 598 CO 0.03 0.75 0.07 0.44 -2.88 0.00 0.00 179.24 177.65 1d2n h ASP 599 N 1.01 1.07 -0.93 2.28 3.32 -0.98 -2.81 116.42 119.38 1d2n h ASP 599 Ca 0.26 -0.27 -0.00 0.00 0.02 0.00 0.00 57.03 57.03 1d2n h ASP 599 Cb 0.05 -0.28 -0.04 0.00 0.22 0.00 0.00 39.33 39.27 1d2n h ASP 599 CO -0.04 1.08 0.56 0.00 -1.72 0.00 0.00 179.24 179.12 1d2n h ALA 600 N 1.04 1.18 0.00 3.45 0.00 -0.51 -2.05 119.26 122.37 1d2n h ALA 600 Ca 0.19 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1d2n h ALA 600 Cb 0.49 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 1d2n h ALA 600 CO 0.02 0.64 -0.00 1.88 0.00 0.00 0.00 179.25 181.79 1d2n h TYR 601 N 1.28 0.00 -0.00 0.00 0.05 -0.75 -0.75 116.97 116.79 1d2n h TYR 601 Ca 0.33 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.11 1d2n h TYR 601 Cb -0.06 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.68 1d2n h TYR 601 CO 0.00 0.00 -0.12 1.63 -1.05 0.00 0.00 178.16 178.63 1d2n n LYS 602 N -3.09 0.14 -3.94 4.88 5.02 -0.77 -4.55 118.16 115.86 1d2n n LYS 602 Ca -0.02 -0.03 -0.31 0.00 -2.02 0.00 0.00 58.31 55.92 1d2n n LYS 602 Cb 0.11 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 33.57 1d2n n LYS 602 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1d2n s SER 603 N -2.88 6.24 0.29 4.39 0.15 -0.29 -5.01 113.70 116.59 1d2n s SER 603 Ca 0.17 0.24 0.13 0.00 0.70 0.00 0.00 55.95 57.19 1d2n s SER 603 Cb 0.19 -1.90 0.38 0.00 -1.71 0.00 0.00 66.02 62.99 1d2n s SER 603 CO 0.55 0.18 1.61 1.56 1.20 0.00 0.00 173.24 178.34 1d2n h GLN 604 N 3.21 0.00 -2.83 5.44 4.20 -1.87 -3.41 115.11 119.85 1d2n h GLN 604 Ca -0.46 0.00 -0.35 0.00 0.06 0.00 0.00 58.65 57.90 1d2n h GLN 604 Cb 1.16 0.00 -0.37 0.00 0.30 0.00 0.00 27.48 28.57 1d2n h GLN 604 CO 0.74 0.58 -0.66 -1.17 -0.67 0.00 0.00 178.83 177.64 1d2n s LEU 605 N -7.31 0.02 0.11 1.46 2.96 -1.26 -0.27 118.68 114.39 1d2n s LEU 605 Ca -0.00 -0.17 0.03 0.00 -0.22 0.00 0.00 54.13 53.77 1d2n s LEU 605 Cb 0.12 0.18 -0.04 0.00 0.50 0.00 0.00 46.19 46.95 1d2n s LEU 605 CO 0.74 -0.31 -0.09 -0.94 -1.32 0.00 0.00 176.35 174.44 1d2n s SER 606 N 2.27 1.43 -0.05 3.68 1.04 0.01 -3.21 113.70 118.86 1d2n s SER 606 Ca 0.05 -0.91 -0.00 0.00 0.48 0.00 0.00 55.95 55.57 1d2n s SER 606 Cb -0.15 0.03 0.03 0.00 0.10 0.00 0.00 66.02 66.03 1d2n s SER 606 CO -0.09 -0.33 -0.01 0.00 0.98 0.00 0.00 173.24 173.78 1d2n s VAL 608 N 1.45 1.93 -0.25 0.00 1.01 -0.42 -1.68 120.40 122.43 1d2n s VAL 608 Ca -0.03 -0.92 -0.10 0.00 0.00 0.00 0.00 61.98 60.93 1d2n s VAL 608 Cb -0.13 -1.70 -0.05 0.00 0.00 0.00 0.00 36.38 34.50 1d2n s VAL 608 CO -0.03 0.53 0.15 -0.69 0.00 0.00 0.00 175.10 175.06 1d2n s VAL 609 N 0.69 5.16 -0.63 2.92 1.01 -0.25 -0.94 120.40 128.36 1d2n s VAL 609 Ca -0.11 0.11 -0.11 0.00 0.00 0.00 0.00 61.98 61.88 1d2n s VAL 609 Cb -0.16 -3.42 0.16 0.00 0.00 0.00 0.00 36.38 32.96 1d2n s VAL 609 CO 0.02 0.32 0.53 -0.69 0.00 0.00 0.00 175.10 175.28 1d2n s VAL 610 N 1.34 4.77 0.12 2.92 1.01 0.54 0.25 120.40 131.35 1d2n s VAL 610 Ca 0.07 -2.19 -0.23 0.00 0.00 0.00 0.00 61.98 59.63 1d2n s VAL 610 Cb -0.15 -4.04 -0.07 0.00 0.00 0.00 0.00 36.38 32.12 1d2n s VAL 610 CO 0.06 -0.90 0.69 -0.62 0.00 0.00 0.00 175.10 174.34 1d2n s ASP 611 N 2.28 7.25 -1.03 3.32 2.15 -0.53 -2.08 116.67 128.03 1d2n s ASP 611 Ca 0.11 1.48 -0.11 0.00 0.43 0.00 0.00 52.55 54.46 1d2n s ASP 611 Cb -0.20 -2.44 -0.03 0.00 -0.30 0.00 0.00 42.92 39.94 1d2n s ASP 611 CO -0.03 0.23 0.82 -0.67 -0.17 0.00 0.00 175.17 175.35 1d2n n ASP 612 N 1.71 -6.21 -0.35 -0.34 -0.08 -1.09 -4.48 116.55 105.71 1d2n n ASP 612 Ca -0.07 -0.76 0.09 0.00 -1.51 0.00 0.00 54.79 52.54 1d2n n ASP 612 Cb 0.50 -4.31 0.26 0.00 2.34 0.00 0.00 41.12 39.90 1d2n n ASP 612 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 1d2n h ILE 613 N -1.15 0.84 -0.15 5.18 2.04 -1.53 -0.29 117.51 122.45 1d2n h ILE 613 Ca -0.55 -0.31 -0.00 0.00 1.00 0.00 0.00 64.86 65.01 1d2n h ILE 613 Cb 1.29 -0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 37.23 1d2n h ILE 613 CO 0.43 0.16 0.09 1.05 0.00 0.00 0.00 178.15 179.89 1d2n h GLU 614 N 0.89 0.20 0.19 2.37 9.09 -1.90 -0.10 114.58 125.32 1d2n h GLU 614 Ca 0.52 -0.01 -0.31 0.00 0.05 0.00 0.00 59.36 59.61 1d2n h GLU 614 Cb 0.62 -0.04 0.02 0.00 -1.65 0.00 0.00 28.75 27.70 1d2n h GLU 614 CO -0.31 0.14 -1.36 0.00 0.05 0.00 0.00 179.01 177.54 1d2n h ARG 615 N 0.21 0.44 -0.50 1.06 2.47 -1.44 -0.39 114.38 116.23 1d2n h ARG 615 Ca 0.06 -0.73 -0.02 0.00 -1.26 0.00 0.00 59.98 58.03 1d2n h ARG 615 Cb -0.00 0.27 -0.02 0.00 -1.65 0.00 0.00 29.97 28.56 1d2n h ARG 615 CO -0.01 1.35 0.24 -0.07 0.56 0.00 0.00 179.97 182.04 1d2n h LEU 616 N 0.13 0.62 -0.84 3.04 3.38 -0.58 -1.97 115.31 119.10 1d2n h LEU 616 Ca -0.20 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.72 1d2n h LEU 616 Cb 2.06 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 42.66 1d2n h LEU 616 CO 0.24 0.53 0.00 0.18 0.09 0.00 0.00 178.44 179.48 1d2n n LEU 617 N -4.39 1.25 -3.95 1.67 4.77 -0.12 -4.92 117.00 111.32 1d2n n LEU 617 Ca 0.04 -0.55 -0.30 0.00 -0.03 0.00 0.00 56.01 55.16 1d2n n LEU 617 Cb 0.12 -0.10 0.02 0.00 -2.33 0.00 0.00 43.42 41.12 1d2n n LEU 617 CO 0.37 0.28 0.07 0.47 -1.33 0.00 0.00 177.39 177.25 1d2n n ASP 618 N 0.08 -4.21 -4.75 -1.43 8.00 -0.74 0.30 116.55 113.80 1d2n n ASP 618 Ca 0.13 -0.82 -0.40 0.00 0.71 0.00 0.00 54.79 54.41 1d2n n ASP 618 Cb 0.24 -3.71 -0.05 0.00 -0.02 0.00 0.00 41.12 37.59 1d2n n ASP 618 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1d2n s TYR 619 N -3.34 3.73 -0.12 1.24 5.04 -0.18 -3.92 117.35 119.81 1d2n s TYR 619 Ca 0.61 1.78 -0.06 0.00 -2.44 0.00 0.00 57.07 56.95 1d2n s TYR 619 Cb -0.31 -3.17 0.05 0.00 0.35 0.00 0.00 41.96 38.87 1d2n s TYR 619 CO 0.85 -0.18 0.28 0.54 -1.34 0.00 0.00 175.55 175.69 1d2n s VAL 620 N -1.11 -0.03 0.52 3.14 0.11 -0.65 -4.89 120.40 117.48 1d2n s VAL 620 Ca 0.43 0.12 0.32 0.00 -2.93 0.00 0.00 61.98 59.92 1d2n s VAL 620 Cb -0.30 -0.42 0.35 0.00 -1.53 0.00 0.00 36.38 34.49 1d2n s VAL 620 CO 0.37 0.05 2.20 -0.65 -3.33 0.00 0.00 175.10 173.75 1d2n h PRO 621 N 7.02 0.00 -6.44 1.54 0.11 -1.96 -1.39 132.00 130.88 1d2n h PRO 621 Ca -0.38 0.00 -0.56 0.00 0.11 0.00 0.00 66.00 65.17 1d2n h PRO 621 Cb 1.16 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.22 1d2n h PRO 621 CO 0.36 0.04 1.11 0.42 -0.21 0.00 0.00 178.00 179.72 1d2n s ILE 622 N -4.36 3.80 0.00 4.15 1.01 -1.26 -3.64 121.20 120.90 1d2n s ILE 622 Ca -0.04 0.76 0.00 0.00 0.00 0.00 0.00 60.65 61.37 1d2n s ILE 622 Cb 0.14 -4.24 0.00 0.00 0.01 0.00 0.00 42.46 38.37 1d2n s ILE 622 CO 0.54 -0.90 0.00 0.61 0.00 0.00 0.00 174.94 175.19 1d2n n GLY 623 N 5.21 2.08 3.91 6.18 0.00 -1.26 -3.50 105.19 117.80 1d2n n GLY 623 Ca 0.16 -0.56 -0.30 0.00 0.00 0.00 0.00 46.02 45.32 1d2n n GLY 623 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1d2n s PRO 624 N 0.00 0.66 0.07 1.61 0.04 -1.24 -5.19 135.00 130.96 1d2n s PRO 624 Ca 0.00 -0.33 0.05 0.00 0.04 0.00 0.00 61.00 60.75 1d2n s PRO 624 Cb 0.00 -1.84 -0.03 0.00 0.04 0.00 0.00 34.50 32.67 1d2n s PRO 624 CO 0.00 -2.41 -0.13 1.03 0.04 0.00 0.00 177.00 175.53 1d2n s ARG 625 N -5.83 0.78 -0.04 4.56 0.52 -0.52 -5.01 118.95 113.41 1d2n s ARG 625 Ca 0.73 -0.93 -0.31 0.00 -0.52 0.00 0.00 55.73 54.69 1d2n s ARG 625 Cb -0.05 -0.75 0.12 0.00 0.52 0.00 0.00 34.95 34.78 1d2n s ARG 625 CO 0.53 0.16 1.21 -0.59 0.02 0.00 0.00 175.30 176.64 1d2n s PHE 626 N -1.31 -0.09 -0.66 -0.53 -0.12 -1.25 -1.64 117.98 112.38 1d2n s PHE 626 Ca -0.03 -0.03 -0.20 0.00 -0.05 0.00 0.00 56.93 56.63 1d2n s PHE 626 Cb -0.10 0.55 0.10 0.00 -0.63 0.00 0.00 43.02 42.94 1d2n s PHE 626 CO 0.02 -0.33 0.83 -1.12 -0.05 0.00 0.00 175.22 174.57 1d2n s SER 627 N -2.75 6.26 0.30 1.98 0.01 0.15 -4.90 113.70 114.74 1d2n s SER 627 Ca 0.12 -1.44 0.01 0.00 1.31 0.00 0.00 55.95 55.95 1d2n s SER 627 Cb 0.02 -2.34 0.48 0.00 0.21 0.00 0.00 66.02 64.39 1d2n s SER 627 CO -0.04 -1.18 1.85 -1.13 0.41 0.00 0.00 173.24 173.15 1d2n h ASN 628 N 9.19 0.67 -0.73 2.44 -1.24 -1.99 -1.69 115.58 122.23 1d2n h ASN 628 Ca -0.22 -0.12 0.01 0.00 0.71 0.00 0.00 56.30 56.68 1d2n h ASN 628 Cb 1.07 -0.17 -0.04 0.00 0.73 0.00 0.00 38.32 39.91 1d2n h ASN 628 CO 1.11 0.68 0.48 0.25 -1.29 0.00 0.00 177.43 178.66 1d2n h LEU 629 N 0.69 0.84 -0.26 0.34 5.85 -1.95 0.16 115.31 120.99 1d2n h LEU 629 Ca 0.15 -0.02 -0.20 0.00 0.84 0.00 0.00 57.88 58.64 1d2n h LEU 629 Cb 0.29 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.12 1d2n h LEU 629 CO 0.00 0.61 -0.68 0.58 -0.34 0.00 0.00 178.44 178.61 1d2n h VAL 630 N 0.99 1.29 -0.33 1.05 2.07 -1.70 -1.76 116.25 117.85 1d2n h VAL 630 Ca 0.27 -1.90 0.00 0.00 0.82 0.00 0.00 66.70 65.89 1d2n h VAL 630 Cb -0.11 1.86 -0.02 0.00 -1.52 0.00 0.00 31.29 31.51 1d2n h VAL 630 CO -0.06 0.60 0.22 0.25 0.02 0.00 0.00 177.57 178.60 1d2n h LEU 631 N 0.55 0.39 -1.02 2.57 5.85 -0.50 -1.56 115.31 121.59 1d2n h LEU 631 Ca -0.02 -0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.64 1d2n h LEU 631 Cb 1.30 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 42.20 1d2n h LEU 631 CO 0.14 0.30 0.31 1.56 -0.34 0.00 0.00 178.44 180.41 1d2n h GLN 632 N 0.45 1.01 -0.57 1.25 1.08 -0.68 -0.57 115.11 117.08 1d2n h GLN 632 Ca 0.12 -0.15 -0.02 0.00 -1.45 0.00 0.00 58.65 57.15 1d2n h GLN 632 Cb -0.03 -0.18 -0.03 0.00 -0.05 0.00 0.00 27.48 27.19 1d2n h GLN 632 CO -0.03 0.80 0.29 0.00 -0.95 0.00 0.00 178.83 178.94 1d2n h ALA 633 N 1.34 0.74 -0.55 3.87 0.00 -0.91 -2.25 119.26 121.50 1d2n h ALA 633 Ca 0.24 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 1d2n h ALA 633 Cb 0.14 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1d2n h ALA 633 CO -0.03 0.29 0.02 -0.07 0.00 0.00 0.00 179.25 179.46 1d2n h LEU 634 N 0.78 0.94 -1.29 0.00 3.38 -0.78 -0.70 115.31 117.63 1d2n h LEU 634 Ca 0.20 -0.30 0.02 0.00 0.09 0.00 0.00 57.88 57.90 1d2n h LEU 634 Cb 0.10 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.55 1d2n h LEU 634 CO -0.03 1.00 0.49 -0.07 0.09 0.00 0.00 178.44 179.92 1d2n h LEU 635 N 0.84 0.82 -0.02 1.67 3.38 -0.87 0.43 115.31 121.56 1d2n h LEU 635 Ca 0.16 -0.02 -0.12 0.00 0.09 0.00 0.00 57.88 58.00 1d2n h LEU 635 Cb 0.51 -0.20 0.01 0.00 0.09 0.00 0.00 40.66 41.07 1d2n h LEU 635 CO 0.02 0.58 -0.45 0.58 0.09 0.00 0.00 178.44 179.26 1d2n h VAL 636 N 0.95 1.46 -0.16 1.22 2.07 -1.20 -3.28 116.25 117.30 1d2n h VAL 636 Ca 0.29 -1.97 -0.04 0.00 0.82 0.00 0.00 66.70 65.79 1d2n h VAL 636 Cb -0.03 2.58 -0.01 0.00 -1.52 0.00 0.00 31.29 32.31 1d2n h VAL 636 CO -0.07 0.56 -0.10 -0.07 0.02 0.00 0.00 177.57 177.91 1d2n h LEU 637 N -0.22 0.23 -1.62 2.57 3.38 -0.82 -1.94 115.31 116.89 1d2n h LEU 637 Ca -0.05 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 1d2n h LEU 637 Cb 1.16 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.85 1d2n h LEU 637 CO 0.09 0.36 -0.01 -0.07 0.09 0.00 0.00 178.44 178.90 1d2n h LEU 638 N 0.24 0.00 -1.03 1.67 3.38 -0.99 -3.01 115.31 115.56 1d2n h LEU 638 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1d2n h LEU 638 Cb 0.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1d2n h LEU 638 CO 0.02 0.01 -0.17 0.29 0.09 0.00 0.00 178.44 178.68 1d2n n LYS 639 N -3.12 1.56 -3.01 1.13 5.02 -0.88 -4.89 118.16 113.97 1d2n n LYS 639 Ca 0.00 -0.87 -0.42 0.00 -2.02 0.00 0.00 58.31 55.00 1d2n n LYS 639 Cb 0.28 -1.18 -0.06 0.00 -0.02 0.00 0.00 35.03 34.06 1d2n n LYS 639 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1d2n s LYS 640 N -1.39 3.66 0.37 1.97 2.20 -0.78 -5.03 119.74 120.73 1d2n s LYS 640 Ca 0.12 0.15 -0.26 0.00 -0.36 0.00 0.00 55.97 55.61 1d2n s LYS 640 Cb 0.10 -3.84 -0.09 0.00 -1.51 0.00 0.00 37.83 32.50 1d2n s LYS 640 CO 0.26 -0.87 1.17 0.00 -0.36 0.00 0.00 175.35 175.55 1d2n s ALA 641 N 3.01 3.24 1.15 3.13 0.00 -1.26 -5.00 121.76 126.03 1d2n s ALA 641 Ca 0.29 0.99 -0.15 0.00 0.00 0.00 0.00 51.96 53.08 1d2n s ALA 641 Cb -0.13 -3.38 0.26 0.00 0.00 0.00 0.00 23.12 19.87 1d2n s ALA 641 CO 0.17 -0.47 1.06 -2.14 0.00 0.00 0.00 175.76 174.38 1d2n s PRO 642 N -2.09 -0.76 0.52 0.00 0.02 -1.26 -4.91 135.00 126.52 1d2n s PRO 642 Ca 0.54 0.37 -0.21 0.00 0.02 0.00 0.00 61.00 61.72 1d2n s PRO 642 Cb -0.32 -1.61 -0.08 0.00 0.02 0.00 0.00 34.50 32.51 1d2n s PRO 642 CO 0.41 -3.50 0.87 -2.30 -0.33 0.00 0.00 177.00 172.15 1d2n n PRO 643 N -4.69 0.96 -1.59 5.54 -0.02 -1.26 -4.73 135.00 129.22 1d2n n PRO 643 Ca 0.07 0.36 -0.59 0.00 -2.02 0.00 0.00 63.50 61.33 1d2n n PRO 643 Cb 0.58 -2.00 -0.08 0.00 -0.02 0.00 0.00 33.50 31.98 1d2n n PRO 643 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 1d2n n GLN 644 N -0.33 0.41 0.00 -0.52 0.00 -1.26 -0.86 117.38 114.82 1d2n n GLN 644 Ca 0.12 0.15 0.00 0.00 -0.00 0.00 0.00 57.00 57.26 1d2n n GLN 644 Cb 0.44 -1.70 0.00 0.00 0.00 0.00 0.00 30.24 28.98 1d2n n GLN 644 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1d2n n GLY 645 N 2.44 3.29 3.89 1.69 0.00 -1.26 -5.04 105.19 110.20 1d2n n GLY 645 Ca 0.22 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.93 1d2n n GLY 645 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1d2n s ARG 646 N -0.61 3.71 0.08 1.61 0.52 -0.04 -5.00 118.95 119.23 1d2n s ARG 646 Ca 0.00 0.12 0.10 0.00 -0.52 0.00 0.00 55.73 55.43 1d2n s ARG 646 Cb 0.00 -2.67 -0.03 0.00 0.52 0.00 0.00 34.95 32.77 1d2n s ARG 646 CO 0.00 0.29 -0.26 0.15 0.02 0.00 0.00 175.30 175.51 1d2n s LYS 647 N -3.08 1.54 -0.07 3.54 1.02 0.63 -4.54 119.74 118.78 1d2n s LYS 647 Ca 0.45 -1.19 -0.04 0.00 0.02 0.00 0.00 55.97 55.21 1d2n s LYS 647 Cb -0.11 -1.85 0.04 0.00 -0.52 0.00 0.00 37.83 35.39 1d2n s LYS 647 CO 0.25 0.46 0.17 -1.17 -0.92 0.00 0.00 175.35 174.14 1d2n s LEU 648 N -1.62 0.75 -0.20 3.17 2.96 -0.31 -0.81 118.68 122.63 1d2n s LEU 648 Ca 0.12 0.36 -0.02 0.00 -0.22 0.00 0.00 54.13 54.36 1d2n s LEU 648 Cb -0.10 0.48 -0.00 0.00 0.50 0.00 0.00 46.19 47.07 1d2n s LEU 648 CO 0.04 -0.14 -0.09 -0.22 -1.32 0.00 0.00 176.35 174.62 1d2n s LEU 649 N 1.02 2.69 -0.18 -0.68 2.96 -0.08 -1.62 118.68 122.79 1d2n s LEU 649 Ca -0.08 -0.45 -0.05 0.00 -0.22 0.00 0.00 54.13 53.33 1d2n s LEU 649 Cb -0.10 -1.66 -0.03 0.00 0.50 0.00 0.00 46.19 44.90 1d2n s LEU 649 CO -0.06 0.00 0.01 -0.63 -1.32 0.00 0.00 176.35 174.36 1d2n s ILE 650 N 1.31 4.22 -0.24 6.68 1.01 0.05 -1.31 121.20 132.92 1d2n s ILE 650 Ca 0.04 -0.23 0.01 0.00 0.00 0.00 0.00 60.65 60.47 1d2n s ILE 650 Cb -0.14 -2.89 0.04 0.00 0.01 0.00 0.00 42.46 39.48 1d2n s ILE 650 CO -0.05 0.45 -0.11 -0.63 0.00 0.00 0.00 174.94 174.61 1d2n s ILE 651 N 0.65 2.37 0.23 2.92 1.01 -0.11 -0.48 121.20 127.79 1d2n s ILE 651 Ca 0.00 -1.33 0.06 0.00 0.00 0.00 0.00 60.65 59.38 1d2n s ILE 651 Cb -0.14 -2.27 -0.03 0.00 0.01 0.00 0.00 42.46 40.03 1d2n s ILE 651 CO 0.02 0.13 0.22 -0.83 0.00 0.00 0.00 174.94 174.49 1d2n s GLY 652 N 1.20 1.44 0.04 6.18 0.00 0.40 -0.34 107.32 116.25 1d2n s GLY 652 Ca -0.04 -1.32 0.03 0.00 0.00 0.00 0.00 44.72 43.39 1d2n s GLY 652 CO -0.06 -1.35 -0.10 -0.51 0.00 0.00 0.00 173.10 171.08 1d2n s THR 653 N -2.01 0.73 -0.00 0.90 -4.23 -0.89 -0.02 115.64 110.11 1d2n s THR 653 Ca 0.33 -1.00 -0.28 0.00 -1.18 0.00 0.00 61.69 59.56 1d2n s THR 653 Cb -0.09 -0.73 0.09 0.00 1.34 0.00 0.00 72.50 73.11 1d2n s THR 653 CO 0.26 -0.23 0.76 0.28 -0.54 0.00 0.00 174.62 175.15 1d2n s THR 654 N -1.11 0.00 -1.31 3.99 -1.32 -0.79 -1.67 115.64 113.44 1d2n s THR 654 Ca -0.05 0.00 0.12 0.00 -1.21 0.00 0.00 61.69 60.55 1d2n s THR 654 Cb -0.09 -1.00 0.17 0.00 -1.51 0.00 0.00 72.50 70.07 1d2n s THR 654 CO 0.01 0.00 1.00 -1.20 -2.21 0.00 0.00 174.62 172.22 1d2n n SER 655 N 0.28 2.30 -3.03 8.08 7.64 -1.26 -2.66 113.62 124.97 1d2n n SER 655 Ca -0.15 -1.65 -0.24 0.00 1.01 0.00 0.00 58.87 57.84 1d2n n SER 655 Cb 0.60 -0.08 -0.04 0.00 -1.01 0.00 0.00 64.21 63.69 1d2n n SER 655 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1d2n n ARG 656 N 0.63 2.46 -0.34 1.43 5.12 -1.26 -4.69 116.66 120.00 1d2n n ARG 656 Ca 0.09 -4.35 0.09 0.00 -1.93 0.00 0.00 57.85 51.75 1d2n n ARG 656 Cb 0.34 -2.06 0.29 0.00 -1.16 0.00 0.00 32.46 29.87 1d2n n ARG 656 CO 0.00 0.00 0.00 -0.22 -1.93 0.00 0.00 177.63 175.48 1d2n h LYS 657 N 2.99 0.86 -0.58 5.56 3.64 -1.90 -1.53 116.57 125.61 1d2n h LYS 657 Ca 0.12 -0.05 0.06 0.00 -1.27 0.00 0.00 60.65 59.51 1d2n h LYS 657 Cb 0.66 -0.19 -0.05 0.00 -0.41 0.00 0.00 32.23 32.24 1d2n h LYS 657 CO 0.71 0.57 0.29 0.38 -2.27 0.00 0.00 179.45 179.13 1d2n h ASP 658 N 0.89 0.41 -0.33 4.20 2.03 -2.00 -0.63 116.42 120.98 1d2n h ASP 658 Ca 0.51 0.04 -0.04 0.00 -0.73 0.00 0.00 57.03 56.80 1d2n h ASP 658 Cb 0.63 -0.04 -0.01 0.00 -0.83 0.00 0.00 39.33 39.09 1d2n h ASP 658 CO -0.28 0.27 0.03 0.58 -1.03 0.00 0.00 179.24 178.81 1d2n h VAL 659 N 0.55 1.24 -0.31 4.15 2.07 -1.71 -2.18 116.25 120.07 1d2n h VAL 659 Ca 0.27 -0.88 -0.03 0.00 0.82 0.00 0.00 66.70 66.88 1d2n h VAL 659 Cb 0.20 1.17 -0.02 0.00 -1.52 0.00 0.00 31.29 31.13 1d2n h VAL 659 CO -0.19 0.29 0.06 -0.07 0.02 0.00 0.00 177.57 177.68 1d2n h LEU 660 N 0.38 0.40 -0.18 2.57 3.38 -1.08 -1.14 115.31 119.64 1d2n h LEU 660 Ca 0.10 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1d2n h LEU 660 Cb 0.39 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 1d2n h LEU 660 CO 0.01 0.43 0.06 -0.61 0.09 0.00 0.00 178.44 178.41 1d2n h GLN 661 N 0.44 0.29 0.00 1.13 5.75 -0.89 -0.41 115.11 121.42 1d2n h GLN 661 Ca 0.10 -0.06 -0.02 0.00 -0.15 0.00 0.00 58.65 58.52 1d2n h GLN 661 Cb 0.20 -0.04 -0.00 0.00 1.07 0.00 0.00 27.48 28.70 1d2n h GLN 661 CO -0.00 0.39 -0.09 1.49 -2.65 0.00 0.00 178.83 177.98 1d2n h GLU 662 N 0.13 0.00 -0.01 1.69 4.81 -0.74 0.44 114.58 120.90 1d2n h GLU 662 Ca 0.06 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 1d2n h GLU 662 Cb 0.22 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.60 1d2n h GLU 662 CO -0.00 0.09 -0.04 -1.33 -0.73 0.00 0.00 179.01 176.99 1d2n n MET 663 N -4.03 1.11 -1.80 1.92 2.81 -0.50 -4.91 117.12 111.73 1d2n n MET 663 Ca -0.03 -0.40 -0.13 0.00 -1.81 0.00 0.00 57.70 55.33 1d2n n MET 663 Cb 0.17 -1.49 -0.03 0.00 -0.71 0.00 0.00 33.22 31.16 1d2n n MET 663 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1d2n n GLU 664 N -0.59 -0.98 0.01 0.03 1.02 0.15 -4.90 120.64 115.37 1d2n n GLU 664 Ca 0.19 0.81 -0.18 0.00 -0.02 0.00 0.00 57.16 57.96 1d2n n GLU 664 Cb 0.25 -4.95 -0.14 0.00 -0.02 0.00 0.00 31.44 26.58 1d2n n GLU 664 CO 0.00 0.00 0.00 1.98 1.18 0.00 0.00 177.13 180.29 1d2n h MET 665 N 0.00 0.21 -0.74 3.49 4.05 -1.28 -3.34 114.93 117.31 1d2n h MET 665 Ca -0.29 -0.35 0.22 0.00 -0.28 0.00 0.00 59.70 58.99 1d2n h MET 665 Cb 1.04 0.13 -0.03 0.00 -0.80 0.00 0.00 31.60 31.94 1d2n h MET 665 CO 0.38 1.03 0.54 1.25 0.23 0.00 0.00 176.91 180.34 1d2n h LEU 666 N 0.06 0.00 0.00 3.39 5.85 -1.80 1.16 115.31 123.97 1d2n h LEU 666 Ca -0.35 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.37 1d2n h LEU 666 Cb 2.03 0.00 0.00 0.00 0.37 0.00 0.00 40.66 43.06 1d2n h LEU 666 CO 0.11 0.00 -0.05 -3.20 -0.34 0.00 0.00 178.44 174.95 1d2n n ASN 667 N -4.31 0.14 0.10 1.25 5.15 -1.25 -3.22 115.26 113.12 1d2n n ASN 667 Ca 0.15 0.44 0.06 0.00 -0.60 0.00 0.00 54.58 54.63 1d2n n ASN 667 Cb 0.82 -0.46 -0.00 0.00 -0.53 0.00 0.00 39.78 39.60 1d2n n ASN 667 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1d2n h ALA 668 N 2.94 0.64 -2.37 5.20 0.00 0.12 -3.46 119.26 122.34 1d2n h ALA 668 Ca 0.00 -0.34 -0.47 0.00 0.00 0.00 0.00 54.91 54.10 1d2n h ALA 668 Cb 0.53 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1d2n h ALA 668 CO 0.00 0.39 0.31 -0.06 0.00 0.00 0.00 179.25 179.89 1d2n s PHE 669 N -3.14 3.59 0.24 0.00 0.40 -1.11 -4.76 117.98 113.20 1d2n s PHE 669 Ca 0.00 1.68 -0.05 0.00 -0.60 0.00 0.00 56.93 57.96 1d2n s PHE 669 Cb 0.08 -2.85 0.25 0.00 0.51 0.00 0.00 43.02 41.01 1d2n s PHE 669 CO 0.77 0.15 1.79 0.77 0.70 0.00 0.00 175.22 179.40 1d2n h SER 670 N 2.89 0.97 -5.09 1.36 0.02 -1.53 -3.47 113.55 108.69 1d2n h SER 670 Ca -0.47 -0.17 0.04 0.00 -0.84 0.00 0.00 61.79 60.35 1d2n h SER 670 Cb 1.19 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 63.46 1d2n h SER 670 CO 0.64 0.90 0.34 0.28 -1.14 0.00 0.00 176.83 177.85 1d2n s THR 671 N -5.36 0.00 0.05 -2.27 -1.32 -1.07 -5.02 115.64 100.65 1d2n s THR 671 Ca -0.11 -0.91 0.02 0.00 -1.21 0.00 0.00 61.69 59.49 1d2n s THR 671 Cb 0.15 -2.67 -0.03 0.00 -1.51 0.00 0.00 72.50 68.45 1d2n s THR 671 CO 0.83 0.00 -0.08 0.42 -2.21 0.00 0.00 174.62 173.58 1d2n s THR 672 N -2.63 0.57 -0.13 5.08 -4.23 -1.26 -1.96 115.64 111.08 1d2n s THR 672 Ca 0.16 -1.17 0.01 0.00 -1.18 0.00 0.00 61.69 59.50 1d2n s THR 672 Cb -0.05 -0.73 0.02 0.00 1.34 0.00 0.00 72.50 73.09 1d2n s THR 672 CO 0.09 -0.43 -0.15 -0.63 -0.54 0.00 0.00 174.62 172.97 1d2n s ILE 673 N -1.60 1.56 0.05 2.99 1.01 0.05 -4.90 121.20 120.36 1d2n s ILE 673 Ca -0.08 -0.65 -0.30 0.00 0.00 0.00 0.00 60.65 59.62 1d2n s ILE 673 Cb -0.09 -1.44 -0.04 0.00 0.01 0.00 0.00 42.46 40.90 1d2n s ILE 673 CO -0.00 0.46 1.05 -2.28 0.00 0.00 0.00 174.94 174.16 1d2n s HIS 674 N 1.26 3.62 -0.57 3.97 5.65 -1.26 -1.46 115.29 126.49 1d2n s HIS 674 Ca -0.00 1.60 0.00 0.00 0.25 0.00 0.00 55.06 56.91 1d2n s HIS 674 Cb -0.14 -3.20 0.15 0.00 -1.18 0.00 0.00 32.58 28.20 1d2n s HIS 674 CO -0.07 -0.37 0.35 0.08 -0.65 0.00 0.00 174.74 174.09 1d2n s VAL 675 N 0.78 3.18 0.72 0.89 1.01 0.93 -4.89 120.40 123.02 1d2n s VAL 675 Ca 0.53 -3.13 -0.11 0.00 0.00 0.00 0.00 61.98 59.27 1d2n s VAL 675 Cb -0.24 -3.13 0.02 0.00 0.00 0.00 0.00 36.38 33.03 1d2n s VAL 675 CO 0.29 -0.84 1.07 -2.16 0.00 0.00 0.00 175.10 173.46 1d2n s PRO 676 N -0.17 2.76 0.79 2.72 0.04 -1.26 -4.07 135.00 135.82 1d2n s PRO 676 Ca 0.17 0.97 -0.12 0.00 0.04 0.00 0.00 61.00 62.06 1d2n s PRO 676 Cb -0.23 -1.97 0.07 0.00 0.04 0.00 0.00 34.50 32.41 1d2n s PRO 676 CO -0.02 -1.23 1.13 -0.80 0.04 0.00 0.00 177.00 176.13 1d2n s ASN 677 N -3.73 4.60 0.18 6.66 0.01 -1.26 -4.89 114.94 116.51 1d2n s ASN 677 Ca 0.59 1.01 -0.32 0.00 -0.71 0.00 0.00 52.86 53.43 1d2n s ASN 677 Cb -0.15 -1.64 -0.11 0.00 0.41 0.00 0.00 41.25 39.77 1d2n s ASN 677 CO 0.55 -1.86 1.61 -0.63 -1.51 0.00 0.00 177.10 175.26 1d2n s ILE 678 N -3.39 2.46 -0.04 0.60 1.01 0.10 -4.81 121.20 117.13 1d2n s ILE 678 Ca 0.61 0.33 0.00 0.00 0.00 0.00 0.00 60.65 61.59 1d2n s ILE 678 Cb -0.12 -3.21 0.00 0.00 0.01 0.00 0.00 42.46 39.14 1d2n s ILE 678 CO 0.51 0.03 0.35 0.00 0.00 0.00 0.00 174.94 175.83 1d2n n ALA 679 N 3.98 2.36 -2.43 9.38 0.00 -1.26 -2.26 120.51 130.27 1d2n n ALA 679 Ca 0.14 -0.35 -0.13 0.00 0.00 0.00 0.00 53.44 53.10 1d2n n ALA 679 Cb 0.38 -0.01 -0.11 0.00 0.00 0.00 0.00 19.45 19.71 1d2n n ALA 679 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1d2n s THR 680 N -0.35 0.87 0.40 0.00 -4.23 -1.26 -2.68 115.64 108.38 1d2n s THR 680 Ca 0.00 -1.69 0.10 0.00 -1.18 0.00 0.00 61.69 58.93 1d2n s THR 680 Cb 0.00 -1.40 0.31 0.00 1.34 0.00 0.00 72.50 72.75 1d2n s THR 680 CO 0.01 -0.62 1.96 1.23 -0.54 0.00 0.00 174.62 176.65 1d2n h GLY 681 N 3.46 0.80 1.03 3.99 0.00 -1.76 -0.83 103.07 109.76 1d2n h GLY 681 Ca -0.37 -0.24 -0.10 0.00 0.00 0.00 0.00 47.33 46.62 1d2n h GLY 681 CO 0.55 0.15 -0.14 0.83 0.00 0.00 0.00 176.54 177.93 1d2n h GLU 682 N 0.58 0.86 -0.34 4.80 3.07 -1.90 -1.35 114.58 120.30 1d2n h GLU 682 Ca 0.31 -0.34 -0.10 0.00 -0.50 0.00 0.00 59.36 58.73 1d2n h GLU 682 Cb 0.45 -0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 28.31 1d2n h GLU 682 CO -0.10 0.98 -0.20 1.96 -1.40 0.00 0.00 179.01 180.25 1d2n h GLN 683 N 0.69 0.63 -0.10 2.33 4.20 -1.57 -1.10 115.11 120.19 1d2n h GLN 683 Ca 0.11 -0.23 -0.00 0.00 0.06 0.00 0.00 58.65 58.58 1d2n h GLN 683 Cb 0.68 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 28.42 1d2n h GLN 683 CO 0.05 0.79 0.05 1.25 -0.67 0.00 0.00 178.83 180.30 1d2n h LEU 684 N 0.56 0.14 -1.10 1.46 5.85 -0.97 -0.90 115.31 120.35 1d2n h LEU 684 Ca 0.09 -0.13 -0.04 0.00 0.84 0.00 0.00 57.88 58.64 1d2n h LEU 684 Cb 0.65 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.62 1d2n h LEU 684 CO 0.05 0.23 0.21 -0.07 -0.34 0.00 0.00 178.44 178.52 1d2n h LEU 685 N 0.03 0.78 -0.40 2.25 -0.00 -1.07 -1.26 115.31 115.64 1d2n h LEU 685 Ca 0.04 -0.11 -0.02 0.00 -0.00 0.00 0.00 57.88 57.79 1d2n h LEU 685 Cb 0.13 -0.20 -0.02 0.00 -0.00 0.00 0.00 40.66 40.57 1d2n h LEU 685 CO -0.00 0.71 0.19 -0.08 -0.00 0.00 0.00 178.44 179.26 1d2n h GLU 686 N 0.83 0.57 -0.11 1.13 4.57 -0.91 -0.41 114.58 120.25 1d2n h GLU 686 Ca 0.20 -0.09 0.01 0.00 -1.18 0.00 0.00 59.36 58.30 1d2n h GLU 686 Cb 0.19 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.67 1d2n h GLU 686 CO -0.01 0.51 0.05 0.00 -1.18 0.00 0.00 179.01 178.37 1d2n h ALA 687 N 1.04 0.12 -0.51 2.92 0.00 -0.66 -0.36 119.26 121.80 1d2n h ALA 687 Ca 0.14 0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.09 1d2n h ALA 687 Cb 0.12 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 1d2n h ALA 687 CO -0.02 -0.40 0.26 -0.07 0.00 0.00 0.00 179.25 179.03 1d2n h LEU 688 N 0.11 0.39 -0.15 0.00 3.38 -0.99 0.40 115.31 118.45 1d2n h LEU 688 Ca 0.04 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 1d2n h LEU 688 Cb 0.01 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1d2n h LEU 688 CO -0.03 0.27 0.08 -0.08 0.09 0.00 0.00 178.44 178.77 1d2n h GLU 689 N 0.52 0.21 -0.34 1.13 4.81 -0.80 0.26 114.58 120.38 1d2n h GLU 689 Ca 0.22 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.39 1d2n h GLU 689 Cb 0.12 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.44 1d2n h GLU 689 CO -0.15 0.23 0.06 -0.07 -0.73 0.00 0.00 179.01 178.35 1d2n h LEU 690 N 0.14 0.45 0.00 1.64 3.38 -0.74 -0.59 115.31 119.59 1d2n h LEU 690 Ca 0.05 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1d2n h LEU 690 Cb 0.08 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.71 1d2n h LEU 690 CO -0.01 0.48 -0.03 -0.07 0.09 0.00 0.00 178.44 178.90 1d2n h LEU 691 N 0.49 0.00 -1.64 1.67 3.38 -0.57 -3.48 115.31 115.16 1d2n h LEU 691 Ca 0.11 -0.01 -0.50 0.00 0.09 0.00 0.00 57.88 57.58 1d2n h LEU 691 Cb 0.22 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.90 1d2n h LEU 691 CO -0.00 0.00 -0.86 0.61 0.09 0.00 0.00 178.44 178.29 1d2n n GLY 692 N 1.26 -0.30 0.13 0.83 0.00 0.89 -4.95 105.19 103.04 1d2n n GLY 692 Ca 0.05 0.15 -0.22 0.00 0.00 0.00 0.00 46.02 46.00 1d2n n GLY 692 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1d2n n ASN 693 N -2.92 2.03 -4.95 1.61 4.13 -1.22 -4.99 115.26 108.96 1d2n n ASN 693 Ca -0.20 0.22 -0.24 0.00 1.68 0.00 0.00 54.58 56.05 1d2n n ASN 693 Cb 0.63 -0.82 0.00 0.00 -1.54 0.00 0.00 39.78 38.05 1d2n n ASN 693 CO 0.00 0.00 0.00 -0.36 0.28 0.00 0.00 177.26 177.18 1d2n s PHE 694 N -2.50 3.36 0.49 3.10 0.40 -1.26 -5.06 117.98 116.50 1d2n s PHE 694 Ca -0.27 0.31 -0.21 0.00 -0.60 0.00 0.00 56.93 56.16 1d2n s PHE 694 Cb 0.07 -2.14 -0.07 0.00 0.51 0.00 0.00 43.02 41.40 1d2n s PHE 694 CO 0.68 -0.15 1.12 0.15 0.70 0.00 0.00 175.22 177.72 1d2n s LYS 695 N -4.46 3.66 0.33 0.44 1.02 -1.26 -4.81 119.74 114.66 1d2n s LYS 695 Ca 0.45 1.63 0.11 0.00 0.02 0.00 0.00 55.97 58.18 1d2n s LYS 695 Cb -0.10 -2.23 1.03 0.00 -0.52 0.00 0.00 37.83 36.01 1d2n s LYS 695 CO 0.37 -0.60 1.60 -0.44 -0.92 0.00 0.00 175.35 175.37 1d2n h ASP 696 N 1.72 0.08 -0.45 2.83 5.19 -2.00 0.34 116.42 124.12 1d2n h ASP 696 Ca -0.49 0.24 -0.12 0.00 -0.62 0.00 0.00 57.03 56.03 1d2n h ASP 696 Cb 1.25 0.31 -0.01 0.00 0.18 0.00 0.00 39.33 41.05 1d2n h ASP 696 CO 0.59 -0.31 -0.19 0.50 -3.12 0.00 0.00 179.24 176.70 1d2n h LYS 697 N 0.10 0.96 -0.35 3.56 3.64 -2.01 -3.02 116.57 119.45 1d2n h LYS 697 Ca 0.71 -0.39 -0.06 0.00 -1.27 0.00 0.00 60.65 59.64 1d2n h LYS 697 Cb 1.68 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 33.44 1d2n h LYS 697 CO -0.76 1.06 -0.06 0.93 -2.27 0.00 0.00 179.45 178.34 1d2n h GLU 698 N 0.83 0.57 0.00 1.90 5.08 -0.70 -2.49 114.58 119.77 1d2n h GLU 698 Ca 0.11 -0.15 -0.11 0.00 -1.00 0.00 0.00 59.36 58.22 1d2n h GLU 698 Cb 0.75 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.92 1d2n h GLU 698 CO 0.06 0.64 -0.52 0.00 -1.00 0.00 0.00 179.01 178.18 1d2n h ARG 699 N 0.53 0.00 -0.54 2.33 3.08 -1.34 -1.49 114.38 116.95 1d2n h ARG 699 Ca 0.11 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 60.05 1d2n h ARG 699 Cb 0.43 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.47 1d2n h ARG 699 CO 0.02 0.52 -0.07 1.15 -1.07 0.00 0.00 179.97 180.52 1d2n h THR 700 N 0.00 1.27 -0.20 2.04 2.02 -1.33 0.64 112.91 117.34 1d2n h THR 700 Ca -0.01 -1.21 -0.02 0.00 0.77 0.00 0.00 66.41 65.94 1d2n h THR 700 Cb 0.97 0.96 -0.01 0.00 -1.74 0.00 0.00 68.15 68.33 1d2n h THR 700 CO 0.07 0.43 0.05 0.74 0.37 0.00 0.00 175.52 177.18 1d2n h THR 701 N 0.87 1.20 -0.66 3.16 2.02 -1.23 -0.71 112.91 117.56 1d2n h THR 701 Ca 0.14 -0.65 0.01 0.00 0.77 0.00 0.00 66.41 66.68 1d2n h THR 701 Cb 0.63 1.25 -0.03 0.00 -1.74 0.00 0.00 68.15 68.25 1d2n h THR 701 CO 0.04 0.20 0.43 0.40 0.37 0.00 0.00 175.52 176.97 1d2n h ILE 702 N 0.15 1.17 -0.94 3.11 2.04 -1.13 -1.42 117.51 120.48 1d2n h ILE 702 Ca 0.06 -0.31 0.01 0.00 1.00 0.00 0.00 64.86 65.62 1d2n h ILE 702 Cb 0.26 0.21 -0.05 0.00 -0.74 0.00 0.00 36.82 36.50 1d2n h ILE 702 CO 0.00 0.16 0.62 0.00 0.00 0.00 0.00 178.15 178.93 1d2n h ALA 703 N 1.24 1.20 -0.74 1.87 0.00 -0.65 0.71 119.26 122.89 1d2n h ALA 703 Ca 0.24 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1d2n h ALA 703 Cb -0.10 -0.38 -0.04 0.00 0.00 0.00 0.00 17.79 17.27 1d2n h ALA 703 CO -0.05 0.60 0.41 0.37 0.00 0.00 0.00 179.25 180.58 1d2n h GLN 704 N 1.28 1.02 0.00 0.00 5.75 -0.31 0.24 115.11 123.10 1d2n h GLN 704 Ca 0.35 -0.11 -0.11 0.00 -0.15 0.00 0.00 58.65 58.63 1d2n h GLN 704 Cb -0.14 -0.21 -0.02 0.00 1.07 0.00 0.00 27.48 28.19 1d2n h GLN 704 CO -0.07 0.74 -0.61 1.96 -2.65 0.00 0.00 178.83 178.20 1d2n h GLN 705 N 1.03 0.00 0.00 1.69 1.08 -0.26 -3.39 115.11 115.26 1d2n h GLN 705 Ca 0.26 0.00 -0.16 0.00 -1.45 0.00 0.00 58.65 57.30 1d2n h GLN 705 Cb 0.01 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.41 1d2n h GLN 705 CO -0.04 0.48 -1.62 1.33 -0.95 0.00 0.00 178.83 178.03 1d2n n VAL 706 N -3.18 0.61 -1.58 -0.54 0.24 0.14 -4.90 118.33 109.11 1d2n n VAL 706 Ca 0.01 -0.38 -0.49 0.00 -2.04 0.00 0.00 64.34 61.44 1d2n n VAL 706 Cb 0.75 -0.74 -0.04 0.00 -1.47 0.00 0.00 33.84 32.33 1d2n n VAL 706 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1d2n n LYS 707 N -2.33 1.20 0.00 7.34 5.02 0.84 -0.29 118.16 129.95 1d2n n LYS 707 Ca -0.14 0.43 0.00 0.00 -2.02 0.00 0.00 58.31 56.57 1d2n n LYS 707 Cb 0.79 -1.96 0.00 0.00 -0.02 0.00 0.00 35.03 33.83 1d2n n LYS 707 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1d2n n GLY 708 N 2.12 2.90 3.89 0.72 0.00 -1.26 -5.00 105.19 108.56 1d2n n GLY 708 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 1d2n n GLY 708 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1d2n s LYS 709 N -0.16 3.69 0.26 1.61 1.02 0.61 -4.98 119.74 121.79 1d2n s LYS 709 Ca 0.00 0.25 -0.17 0.00 0.02 0.00 0.00 55.97 56.07 1d2n s LYS 709 Cb 0.00 -2.49 -0.08 0.00 -0.52 0.00 0.00 37.83 34.74 1d2n s LYS 709 CO 0.00 0.04 0.71 0.15 -0.92 0.00 0.00 175.35 175.33 1d2n s LYS 710 N -3.87 4.11 0.15 1.68 -0.14 -1.26 -3.22 119.74 117.19 1d2n s LYS 710 Ca 0.48 0.74 0.02 0.00 -1.36 0.00 0.00 55.97 55.85 1d2n s LYS 710 Cb -0.10 -2.67 -0.04 0.00 -1.68 0.00 0.00 37.83 33.33 1d2n s LYS 710 CO 0.33 0.29 -0.02 0.14 -0.76 0.00 0.00 175.35 175.32 1d2n s VAL 711 N -1.74 0.70 -0.46 3.17 -7.23 -1.09 -4.93 120.40 108.82 1d2n s VAL 711 Ca 0.48 -1.97 0.07 0.00 -1.81 0.00 0.00 61.98 58.75 1d2n s VAL 711 Cb -0.13 -1.97 0.18 0.00 0.56 0.00 0.00 36.38 35.02 1d2n s VAL 711 CO 0.19 -0.61 0.64 0.86 -0.31 0.00 0.00 175.10 175.87 1d2n s TRP 712 N -3.64 -1.34 -0.01 2.82 -0.00 -1.22 -4.12 118.94 111.44 1d2n s TRP 712 Ca 0.20 -0.46 0.00 0.00 -0.00 0.00 0.00 56.10 55.84 1d2n s TRP 712 Cb 0.06 0.17 0.01 0.00 -0.00 0.00 0.00 33.47 33.70 1d2n s TRP 712 CO 0.01 -1.19 0.01 -1.50 -0.00 0.00 0.00 176.95 174.28 1d2n s ILE 713 N 1.16 0.01 0.36 5.86 2.07 -0.96 -4.52 121.20 125.19 1d2n s ILE 713 Ca 0.25 0.07 -0.25 0.00 -1.41 0.00 0.00 60.65 59.30 1d2n s ILE 713 Cb -0.02 -0.07 -0.09 0.00 0.13 0.00 0.00 42.46 42.41 1d2n s ILE 713 CO -0.07 0.05 1.04 -0.83 -1.91 0.00 0.00 174.94 173.22 1d2n s GLY 714 N 0.42 2.81 0.29 1.50 0.00 -1.26 -0.72 107.32 110.35 1d2n s GLY 714 Ca -0.04 0.70 0.03 0.00 0.00 0.00 0.00 44.72 45.42 1d2n s GLY 714 CO -0.01 1.16 1.79 1.19 0.00 0.00 0.00 173.10 177.23 1d2n h ILE 715 N 2.42 0.77 -0.53 0.90 6.09 -1.66 0.20 117.51 125.71 1d2n h ILE 715 Ca -0.48 -0.28 -0.10 0.00 -1.37 0.00 0.00 64.86 62.64 1d2n h ILE 715 Cb 1.21 -0.10 -0.02 0.00 0.47 0.00 0.00 36.82 38.38 1d2n h ILE 715 CO 0.64 0.15 -0.06 0.50 -3.07 0.00 0.00 178.15 176.30 1d2n h LYS 716 N 0.80 0.95 -0.43 2.19 3.64 -1.57 -2.17 116.57 119.99 1d2n h LYS 716 Ca 0.53 -0.32 -0.12 0.00 -1.27 0.00 0.00 60.65 59.48 1d2n h LYS 716 Cb 0.73 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.45 1d2n h LYS 716 CO -0.34 0.98 -0.20 -0.22 -2.27 0.00 0.00 179.45 177.39 1d2n h LYS 717 N 0.86 0.84 -0.92 1.90 1.63 -1.13 -2.85 116.57 116.91 1d2n h LYS 717 Ca 0.15 -0.34 0.03 0.00 -0.85 0.00 0.00 60.65 59.64 1d2n h LYS 717 Cb 0.59 -0.04 -0.05 0.00 -0.60 0.00 0.00 32.23 32.13 1d2n h LYS 717 CO 0.04 0.97 0.60 1.25 -3.45 0.00 0.00 179.45 178.85 1d2n h LEU 718 N 0.74 1.00 -0.94 5.20 5.85 -0.35 -1.63 115.31 125.18 1d2n h LEU 718 Ca 0.10 -0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.86 1d2n h LEU 718 Cb 0.73 -0.23 -0.06 0.00 0.37 0.00 0.00 40.66 41.47 1d2n h LEU 718 CO 0.06 0.69 0.61 -0.07 -0.34 0.00 0.00 178.44 179.38 1d2n h LEU 719 N 1.17 0.99 -0.28 2.25 3.38 -1.16 -1.09 115.31 120.56 1d2n h LEU 719 Ca 0.36 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.27 1d2n h LEU 719 Cb -0.01 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 1d2n h LEU 719 CO -0.11 0.66 -0.08 -0.03 0.09 0.00 0.00 178.44 178.96 1d2n h MET 720 N 1.15 0.56 -0.79 1.13 4.05 -1.26 -2.44 114.93 117.33 1d2n h MET 720 Ca 0.39 -0.22 -0.04 0.00 -0.28 0.00 0.00 59.70 59.55 1d2n h MET 720 Cb 0.07 -0.03 -0.04 0.00 -0.80 0.00 0.00 31.60 30.81 1d2n h MET 720 CO -0.14 0.77 0.34 -0.07 0.23 0.00 0.00 176.91 178.04 1d2n h LEU 721 N 0.31 1.06 0.42 3.39 3.38 -0.97 -1.58 115.31 121.32 1d2n h LEU 721 Ca 0.07 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 1d2n h LEU 721 Cb 0.57 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 1d2n h LEU 721 CO 0.03 0.92 -0.25 0.40 0.09 0.00 0.00 178.44 179.63 1d2n h ILE 722 N 1.13 0.49 -0.73 1.22 2.04 -1.13 -1.32 117.51 119.22 1d2n h ILE 722 Ca 0.27 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.20 1d2n h ILE 722 Cb 0.17 0.49 -0.05 0.00 -0.74 0.00 0.00 36.82 36.69 1d2n h ILE 722 CO -0.03 0.00 0.48 -0.33 0.00 0.00 0.00 178.15 178.27 1d2n h GLU 723 N -0.63 0.69 -0.47 2.37 4.39 -1.20 -1.09 114.58 118.64 1d2n h GLU 723 Ca -0.05 -0.04 -0.09 0.00 0.34 0.00 0.00 59.36 59.52 1d2n h GLU 723 Cb 0.51 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 28.99 1d2n h GLU 723 CO 0.06 0.46 -0.05 0.52 -1.16 0.00 0.00 179.01 178.83 1d2n h MET 724 N 0.72 0.87 -0.17 2.33 2.86 -1.04 -2.99 114.93 117.51 1d2n h MET 724 Ca 0.32 -0.31 -0.06 0.00 -2.06 0.00 0.00 59.70 57.59 1d2n h MET 724 Cb 0.33 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.91 1d2n h MET 724 CO -0.11 0.94 -0.18 0.66 1.06 0.00 0.00 176.91 179.28 1d2n h SER 725 N 0.72 0.28 0.65 1.22 4.64 -0.14 -2.64 113.55 118.28 1d2n h SER 725 Ca 0.13 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1d2n h SER 725 Cb 0.59 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 1d2n h SER 725 CO 0.04 0.48 0.00 0.18 -0.87 0.00 0.00 176.83 176.65 1d2n n LEU 726 N -4.21 0.13 0.01 5.97 4.77 -0.52 -2.34 117.00 120.80 1d2n n LEU 726 Ca -0.01 0.53 0.14 0.00 -0.03 0.00 0.00 56.01 56.64 1d2n n LEU 726 Cb 0.32 -0.50 0.54 0.00 -2.33 0.00 0.00 43.42 41.44 1d2n n LEU 726 CO 0.39 -0.25 0.87 0.00 -1.33 0.00 0.00 177.39 177.07 1d2n n GLN 727 N -1.64 0.03 -2.12 3.23 1.13 -0.99 -4.85 117.38 112.17 1d2n n GLN 727 Ca 0.04 0.02 -0.29 0.00 -1.94 0.00 0.00 57.00 54.83 1d2n n GLN 727 Cb 0.22 -1.53 0.03 0.00 0.11 0.00 0.00 30.24 29.06 1d2n n GLN 727 CO 0.00 0.00 0.00 -1.64 -1.44 0.00 0.00 177.06 173.98 1d2n s MET 728 N -3.01 3.18 0.66 -1.09 -1.94 -0.99 -5.04 119.30 111.07 1d2n s MET 728 Ca 0.13 0.38 -0.17 0.00 -1.71 0.00 0.00 55.69 54.33 1d2n s MET 728 Cb 0.18 -2.15 0.00 0.00 2.01 0.00 0.00 34.83 34.87 1d2n s MET 728 CO 0.56 -0.70 1.19 -0.51 -0.01 0.00 0.00 175.02 175.55 1d2n s ASP 729 N -4.26 4.76 0.31 3.03 1.01 -1.26 -4.68 116.67 115.58 1d2n s ASP 729 Ca 0.55 2.31 0.07 0.00 0.71 0.00 0.00 52.55 56.18 1d2n s ASP 729 Cb -0.11 -2.59 0.87 0.00 1.01 0.00 0.00 42.92 42.10 1d2n s ASP 729 CO 0.50 -1.88 1.65 -0.65 0.21 0.00 0.00 175.17 175.00 1d2n h PRO 730 N 0.24 0.24 0.00 8.23 0.11 -1.96 0.18 132.00 139.05 1d2n h PRO 730 Ca -0.49 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1d2n h PRO 730 Cb 1.29 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1d2n h PRO 730 CO 0.53 0.16 0.00 1.49 -0.21 0.00 0.00 178.00 179.97 1d2n h GLU 731 N 0.25 0.00 -0.02 1.05 4.81 -2.02 -3.18 114.58 115.47 1d2n h GLU 731 Ca 0.63 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.86 1d2n h GLU 731 Cb 1.35 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.73 1d2n h GLU 731 CO -0.64 0.00 0.00 0.66 -0.73 0.00 0.00 179.01 178.30 1d2n n TYR 732 N -2.97 0.01 -0.12 0.92 4.02 0.58 -4.70 117.16 114.90 1d2n n TYR 732 Ca 0.00 -0.01 -0.09 0.00 -0.01 0.00 0.00 57.90 57.80 1d2n n TYR 732 Cb 0.26 -0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 39.57 1d2n n TYR 732 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1d2n h ARG 733 N 2.20 0.52 -0.45 -0.72 3.08 -1.42 -1.55 114.38 116.04 1d2n h ARG 733 Ca 0.00 -0.06 -0.10 0.00 0.07 0.00 0.00 59.98 59.90 1d2n h ARG 733 Cb 0.47 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.40 1d2n h ARG 733 CO 0.00 0.42 -0.10 0.28 -1.07 0.00 0.00 179.97 179.50 1d2n h VAL 734 N 0.48 1.27 -0.69 2.04 2.07 -1.84 -1.36 116.25 118.23 1d2n h VAL 734 Ca 0.13 -1.21 0.01 0.00 0.82 0.00 0.00 66.70 66.46 1d2n h VAL 734 Cb 0.05 1.13 -0.04 0.00 -1.52 0.00 0.00 31.29 30.91 1d2n h VAL 734 CO -0.02 0.41 0.45 -0.09 0.02 0.00 0.00 177.57 178.34 1d2n h ARG 735 N 0.69 0.88 -0.36 1.57 2.43 -1.82 -1.32 114.38 116.45 1d2n h ARG 735 Ca 0.11 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.20 1d2n h ARG 735 Cb 0.63 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.97 1d2n h ARG 735 CO 0.04 0.58 0.10 -0.22 -1.51 0.00 0.00 179.97 178.96 1d2n h LYS 736 N 0.91 0.56 -0.14 0.20 1.63 -1.14 -1.76 116.57 116.82 1d2n h LYS 736 Ca 0.26 -0.13 0.02 0.00 -0.85 0.00 0.00 60.65 59.94 1d2n h LYS 736 Cb -0.08 -0.08 -0.02 0.00 -0.60 0.00 0.00 32.23 31.46 1d2n h LYS 736 CO -0.07 0.60 0.04 0.35 -3.45 0.00 0.00 179.45 176.92 1d2n h PHE 737 N 0.42 0.06 -0.40 1.91 3.57 -0.89 -0.93 116.94 120.69 1d2n h PHE 737 Ca 0.11 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.57 1d2n h PHE 737 Cb 0.28 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 38.99 1d2n h PHE 737 CO 0.01 0.03 0.04 -0.07 -2.23 0.00 0.00 178.31 176.09 1d2n h LEU 738 N 0.10 0.58 -0.40 0.59 3.38 -1.20 -0.60 115.31 117.76 1d2n h LEU 738 Ca 0.06 -0.10 -0.10 0.00 0.09 0.00 0.00 57.88 57.83 1d2n h LEU 738 Cb 0.05 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 1d2n h LEU 738 CO -0.08 0.62 -0.13 0.00 0.09 0.00 0.00 178.44 178.94 1d2n h ALA 739 N 1.46 0.56 -0.58 1.53 0.00 -0.93 -1.48 119.26 119.81 1d2n h ALA 739 Ca 0.13 -0.34 -0.09 0.00 0.00 0.00 0.00 54.91 54.61 1d2n h ALA 739 Cb 0.31 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1d2n h ALA 739 CO 0.01 0.46 -0.00 -0.07 0.00 0.00 0.00 179.25 179.65 1d2n h LEU 740 N 0.62 0.98 -1.12 0.00 3.38 -0.85 -2.57 115.31 115.75 1d2n h LEU 740 Ca 0.10 -0.27 -0.06 0.00 0.09 0.00 0.00 57.88 57.73 1d2n h LEU 740 Cb 0.67 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 1d2n h LEU 740 CO 0.05 1.04 -0.05 0.25 0.09 0.00 0.00 178.44 179.81 1d2n h LEU 741 N 0.92 0.53 -1.35 1.67 5.85 -0.98 -1.53 115.31 120.43 1d2n h LEU 741 Ca 0.17 -0.12 -0.06 0.00 0.84 0.00 0.00 57.88 58.71 1d2n h LEU 741 Cb 0.54 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 1d2n h LEU 741 CO 0.03 0.64 -0.21 -0.09 -0.34 0.00 0.00 178.44 178.46 1d2n h ARG 742 N 0.52 0.17 0.00 1.25 2.43 -0.89 -2.76 114.38 115.10 1d2n h ARG 742 Ca 0.10 -0.05 -0.09 0.00 -0.81 0.00 0.00 59.98 59.14 1d2n h ARG 742 Cb 0.42 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.94 1d2n h ARG 742 CO 0.02 0.38 -0.87 0.93 -1.51 0.00 0.00 179.97 178.92 1d2n h GLU 743 N 0.16 0.00 -1.07 0.20 4.39 -1.02 -3.34 114.58 113.90 1d2n h GLU 743 Ca 0.03 0.00 -0.55 0.00 0.34 0.00 0.00 59.36 59.18 1d2n h GLU 743 Cb 0.47 0.00 -0.26 0.00 -0.10 0.00 0.00 28.75 28.86 1d2n h GLU 743 CO 0.03 0.24 0.70 0.39 -1.16 0.00 0.00 179.01 179.21 1d2n n GLU 744 N -2.96 2.34 -2.96 2.33 -0.58 -0.64 -4.97 120.64 113.20 1d2n n GLU 744 Ca -0.02 -2.81 -0.19 0.00 -0.42 0.00 0.00 57.16 53.72 1d2n n GLU 744 Cb 0.70 -2.10 0.05 0.00 -0.57 0.00 0.00 31.44 29.51 1d2n n GLU 744 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 1d2n s GLY 745 N -1.24 1.82 0.01 0.62 0.00 -1.22 -4.67 107.32 102.64 1d2n s GLY 745 Ca 0.55 -1.88 -0.21 0.00 0.00 0.00 0.00 44.72 43.17 1d2n s GLY 745 CO 0.03 -1.52 0.62 0.00 0.00 0.00 0.00 173.10 172.23 1d2n s ALA 746 N -2.60 3.48 -0.12 3.20 0.00 -1.26 -5.02 121.76 119.44 1d2n s ALA 746 Ca 0.59 0.08 -0.29 0.00 0.00 0.00 0.00 51.96 52.34 1d2n s ALA 746 Cb -0.08 -2.78 -0.05 0.00 0.00 0.00 0.00 23.12 20.22 1d2n s ALA 746 CO 0.37 0.18 1.80 0.45 0.00 0.00 0.00 175.76 178.56 1d2n s SER 747 N -0.28 6.32 0.65 0.00 0.15 -1.26 -4.88 113.70 114.41 1d2n s SER 747 Ca 0.32 2.05 0.40 0.00 0.70 0.00 0.00 55.95 59.42 1d2n s SER 747 Cb -0.19 -2.53 2.23 0.00 -1.71 0.00 0.00 66.02 63.83 1d2n s SER 747 CO 0.18 -1.24 2.32 -0.65 1.20 0.00 0.00 173.24 175.05 1d2n h PRO 748 N 11.08 0.00 0.00 5.44 0.11 -2.06 -2.05 132.00 144.52 1d2n h PRO 748 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1d2n h PRO 748 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1d2n h PRO 748 CO 0.97 0.00 -0.56 1.28 -0.21 0.00 0.00 178.00 179.48 1d2n n LEU 749 N -3.27 0.43 0.00 2.35 4.77 -1.26 -5.36 117.00 114.66 1d2n n LEU 749 Ca -0.03 -0.46 0.00 0.00 -0.03 0.00 0.00 56.01 55.49 1d2n n LEU 749 Cb 0.10 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 1d2n n LEU 749 CO 0.22 0.11 0.00 0.47 -1.33 0.00 0.00 177.39 176.85