#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i1k n ALA 505 N 0.00 -1.43 -2.24 0.58 0.00 -1.26 -4.61 120.51 111.55 1i1k n ALA 505 Ca 0.00 -0.74 -0.23 0.00 0.00 0.00 0.00 53.44 52.46 1i1k n ALA 505 Cb 0.00 0.52 0.02 0.00 0.00 0.00 0.00 19.45 19.98 1i1k n ALA 505 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1i1k s ASP 506 N -2.45 5.71 0.19 0.00 -0.00 -1.26 -4.55 116.67 114.31 1i1k s ASP 506 Ca 0.12 0.32 0.00 0.00 -0.00 0.00 0.00 52.55 52.99 1i1k s ASP 506 Cb -0.03 -1.47 0.00 0.00 -0.00 0.00 0.00 42.92 41.42 1i1k s ASP 506 CO 0.06 -0.82 0.00 -1.22 -0.00 0.00 0.00 175.17 173.19 1i1k n TYR 507 N -2.20 -1.61 -3.80 4.23 4.02 -1.24 -4.71 117.16 111.85 1i1k n TYR 507 Ca 0.03 0.86 -0.14 0.00 -0.01 0.00 0.00 57.90 58.64 1i1k n TYR 507 Cb 0.58 -1.59 -0.15 0.00 -0.02 0.00 0.00 39.34 38.16 1i1k n TYR 507 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1i1k s ILE 508 N -3.02 -0.04 -0.20 -0.72 1.01 0.13 -4.69 121.20 113.68 1i1k s ILE 508 Ca 0.00 0.13 -0.29 0.00 0.00 0.00 0.00 60.65 60.49 1i1k s ILE 508 Cb 0.00 -0.10 -0.01 0.00 0.01 0.00 0.00 42.46 42.36 1i1k s ILE 508 CO 0.00 0.05 1.26 0.86 0.00 0.00 0.00 174.94 177.11 1i1k s TRP 509 N 0.70 2.84 -0.27 3.97 -0.00 -0.83 -1.11 118.94 124.24 1i1k s TRP 509 Ca -0.06 1.00 -0.01 0.00 -0.00 0.00 0.00 56.10 57.04 1i1k s TRP 509 Cb -0.08 -3.57 0.08 0.00 -0.00 0.00 0.00 33.47 29.90 1i1k s TRP 509 CO -0.02 -1.64 0.05 0.12 -0.00 0.00 0.00 176.95 175.46 1i1k s PHE 510 N 3.67 1.79 -1.52 5.86 5.99 0.31 -1.01 117.98 133.07 1i1k s PHE 510 Ca 0.54 -1.61 -0.13 0.00 0.00 0.00 0.00 56.93 55.73 1i1k s PHE 510 Cb -0.20 -1.60 0.08 0.00 0.00 0.00 0.00 43.02 41.30 1i1k s PHE 510 CO 0.16 -0.80 0.97 0.09 -0.00 0.00 0.00 175.22 175.64 1i1k n ASN 511 N 4.83 -4.94 0.00 6.13 3.02 -0.19 -2.00 115.26 122.12 1i1k n ASN 511 Ca -0.05 -0.74 0.00 0.00 -0.03 0.00 0.00 54.58 53.76 1i1k n ASN 511 Cb 0.44 -3.94 0.00 0.00 -0.61 0.00 0.00 39.78 35.67 1i1k n ASN 511 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1i1k n GLY 512 N -1.69 0.59 3.25 7.41 0.00 -1.26 -5.06 105.19 108.43 1i1k n GLY 512 Ca 0.04 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.78 1i1k n GLY 512 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1i1k s GLU 513 N -0.81 1.76 -0.55 1.61 2.02 -0.84 -5.08 118.70 116.80 1i1k s GLU 513 Ca 0.00 -0.83 -0.25 0.00 0.02 0.00 0.00 54.97 53.91 1i1k s GLU 513 Cb 0.00 -1.73 0.04 0.00 0.10 0.00 0.00 34.13 32.54 1i1k s GLU 513 CO 0.00 0.47 1.01 -1.64 0.02 0.00 0.00 175.26 175.12 1i1k s MET 514 N -0.63 3.40 0.00 1.61 -1.94 -1.26 -0.53 119.30 119.96 1i1k s MET 514 Ca 0.09 -0.08 0.01 0.00 -1.71 0.00 0.00 55.69 53.99 1i1k s MET 514 Cb -0.09 -4.03 -0.04 0.00 2.01 0.00 0.00 34.83 32.69 1i1k s MET 514 CO -0.00 -1.51 0.05 0.08 -0.01 0.00 0.00 175.02 173.63 1i1k s VAL 515 N 4.20 4.51 0.41 -6.03 1.01 -0.27 -4.86 120.40 119.37 1i1k s VAL 515 Ca 0.34 -0.51 -0.26 0.00 0.00 0.00 0.00 61.98 61.55 1i1k s VAL 515 Cb -0.11 -3.06 -0.10 0.00 0.00 0.00 0.00 36.38 33.11 1i1k s VAL 515 CO 0.22 0.34 1.31 0.54 0.00 0.00 0.00 175.10 177.50 1i1k n ARG 516 N 1.18 2.06 -0.22 2.72 5.12 -1.26 0.20 116.66 126.46 1i1k n ARG 516 Ca -0.13 0.73 -0.01 0.00 -1.93 0.00 0.00 57.85 56.51 1i1k n ARG 516 Cb 0.53 -2.43 0.06 0.00 -1.16 0.00 0.00 32.46 29.46 1i1k n ARG 516 CO 0.00 0.00 0.00 2.35 -1.93 0.00 0.00 177.63 178.05 1i1k h TRP 517 N 2.26 -0.46 -0.09 -1.55 2.91 -1.84 -0.99 115.95 116.19 1i1k h TRP 517 Ca -0.48 0.06 0.03 0.00 1.13 0.00 0.00 58.89 59.63 1i1k h TRP 517 Cb 1.29 0.31 -0.00 0.00 -0.51 0.00 0.00 29.16 30.24 1i1k h TRP 517 CO 0.49 -0.31 0.07 0.93 -1.03 0.00 0.00 178.44 178.59 1i1k h GLU 518 N -0.03 0.00 -0.01 2.65 3.07 -1.90 -2.37 114.58 115.99 1i1k h GLU 518 Ca 0.31 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.17 1i1k h GLU 518 Cb 0.51 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.42 1i1k h GLU 518 CO -0.69 0.00 -0.24 -0.25 -1.40 0.00 0.00 179.01 176.43 1i1k n ASP 519 N -4.42 0.83 -4.58 1.42 8.00 -0.39 -4.70 116.55 112.72 1i1k n ASP 519 Ca -0.01 -0.73 -0.40 0.00 0.71 0.00 0.00 54.79 54.36 1i1k n ASP 519 Cb 0.18 0.09 -0.02 0.00 -0.02 0.00 0.00 41.12 41.35 1i1k n ASP 519 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1i1k s ALA 520 N -2.55 2.95 0.15 2.24 0.00 -0.89 -4.92 121.76 118.74 1i1k s ALA 520 Ca 0.24 -2.70 0.10 0.00 0.00 0.00 0.00 51.96 49.60 1i1k s ALA 520 Cb 0.19 -4.64 -0.04 0.00 0.00 0.00 0.00 23.12 18.63 1i1k s ALA 520 CO 0.53 -3.73 -0.22 0.15 0.00 0.00 0.00 175.76 172.49 1i1k s LYS 521 N 4.77 1.32 0.09 0.00 1.02 -1.26 -5.09 119.74 120.59 1i1k s LYS 521 Ca 0.56 -1.37 0.04 0.00 0.02 0.00 0.00 55.97 55.22 1i1k s LYS 521 Cb 0.03 -1.56 -0.03 0.00 -0.52 0.00 0.00 37.83 35.74 1i1k s LYS 521 CO 0.07 0.34 -0.11 0.54 -0.92 0.00 0.00 175.35 175.28 1i1k s VAL 522 N -1.59 0.97 0.48 3.17 0.11 -1.26 -5.13 120.40 117.15 1i1k s VAL 522 Ca 0.15 -1.50 -0.24 0.00 -2.93 0.00 0.00 61.98 57.46 1i1k s VAL 522 Cb -0.08 -1.22 -0.07 0.00 -1.53 0.00 0.00 36.38 33.49 1i1k s VAL 522 CO 0.07 -0.44 1.33 -2.28 -3.33 0.00 0.00 175.10 170.44 1i1k s HIS 523 N -2.00 2.53 -0.38 1.54 2.46 -1.26 -4.90 115.29 113.28 1i1k s HIS 523 Ca 0.02 1.38 0.21 0.00 0.47 0.00 0.00 55.06 57.15 1i1k s HIS 523 Cb -0.06 -3.73 1.01 0.00 -0.13 0.00 0.00 32.58 29.68 1i1k s HIS 523 CO 0.01 -2.50 1.64 1.55 -2.47 0.00 0.00 174.74 172.97 1i1k n VAL 524 N -0.51 1.01 -0.49 0.89 3.14 -1.26 -1.50 118.33 119.60 1i1k n VAL 524 Ca 0.07 0.50 0.07 0.00 -2.96 0.00 0.00 64.34 62.03 1i1k n VAL 524 Cb 0.44 -1.47 0.34 0.00 -1.06 0.00 0.00 33.84 32.09 1i1k n VAL 524 CO 0.00 0.00 0.00 0.23 -6.46 0.00 0.00 176.83 170.60 1i1k n MET 525 N -2.18 3.88 -1.97 1.45 2.81 -1.26 -4.89 117.12 114.95 1i1k n MET 525 Ca 0.00 -2.64 -0.42 0.00 -1.81 0.00 0.00 57.70 52.84 1i1k n MET 525 Cb 0.12 -1.99 -0.03 0.00 -0.71 0.00 0.00 33.22 30.61 1i1k n MET 525 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 1i1k s SER 526 N -0.77 6.62 0.23 7.83 0.01 -0.56 -4.57 113.70 122.48 1i1k s SER 526 Ca 0.46 2.58 -0.13 0.00 1.31 0.00 0.00 55.95 60.17 1i1k s SER 526 Cb 0.32 -2.60 0.29 0.00 0.21 0.00 0.00 66.02 64.25 1i1k s SER 526 CO 0.18 -0.79 1.59 -0.74 0.41 0.00 0.00 173.24 173.89 1i1k h HIS 527 N 6.65 -0.57 -0.20 2.43 -0.00 -1.01 -1.29 115.15 121.18 1i1k h HIS 527 Ca -0.43 0.07 0.06 0.00 -0.00 0.00 0.00 60.37 60.07 1i1k h HIS 527 Cb 1.21 0.37 -0.01 0.00 -0.00 0.00 0.00 27.41 28.98 1i1k h HIS 527 CO 0.65 -0.35 0.19 0.00 -0.00 0.00 0.00 177.93 178.42 1i1k h ALA 528 N 1.61 1.89 0.00 5.26 0.00 -1.39 0.46 119.26 127.09 1i1k h ALA 528 Ca 0.35 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 55.14 1i1k h ALA 528 Cb 0.57 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1i1k h ALA 528 CO -0.80 -0.30 -0.52 -0.07 0.00 0.00 0.00 179.25 177.57 1i1k h LEU 529 N 0.00 0.00 0.00 0.00 3.38 -1.52 -2.67 115.31 114.50 1i1k h LEU 529 Ca 0.09 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.69 1i1k h LEU 529 Cb 0.48 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.16 1i1k h LEU 529 CO -0.00 0.52 -2.39 1.41 0.09 0.00 0.00 178.44 178.06 1i1k n HIS 530 N -3.56 0.00 -0.46 1.13 8.25 -0.27 -4.71 115.22 115.60 1i1k n HIS 530 Ca -0.00 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.49 1i1k n HIS 530 Cb 0.60 -1.00 0.05 0.00 1.12 0.00 0.00 29.99 30.76 1i1k n HIS 530 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1i1k n TYR 531 N -2.77 0.00 -1.50 4.41 4.02 -0.01 -4.99 117.16 116.32 1i1k n TYR 531 Ca -0.33 -0.64 -0.17 0.00 -0.01 0.00 0.00 57.90 56.75 1i1k n TYR 531 Cb 1.15 -0.08 -0.07 0.00 -0.02 0.00 0.00 39.34 40.32 1i1k n TYR 531 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1i1k n GLY 532 N -0.78 1.64 2.78 2.72 0.00 -1.01 -4.88 105.19 105.66 1i1k n GLY 532 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 1i1k n GLY 532 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1i1k n THR 533 N -2.30 3.22 -3.92 2.61 -2.24 -1.26 -2.67 114.28 107.73 1i1k n THR 533 Ca -0.17 -2.80 -0.09 0.00 -2.27 0.00 0.00 64.05 58.72 1i1k n THR 533 Cb 0.65 -2.57 -0.08 0.00 -2.10 0.00 0.00 70.33 66.23 1i1k n THR 533 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1i1k s SER 534 N 3.45 0.19 -0.01 3.42 1.04 -1.26 -2.21 113.70 118.31 1i1k s SER 534 Ca 0.49 -0.76 0.02 0.00 0.48 0.00 0.00 55.95 56.17 1i1k s SER 534 Cb 0.14 0.32 0.00 0.00 0.10 0.00 0.00 66.02 66.58 1i1k s SER 534 CO -0.06 -0.72 -0.06 -0.69 0.98 0.00 0.00 173.24 172.69 1i1k s VAL 535 N -3.89 0.48 0.23 5.02 1.01 0.11 -0.97 120.40 122.39 1i1k s VAL 535 Ca 0.07 -0.22 -0.04 0.00 0.00 0.00 0.00 61.98 61.79 1i1k s VAL 535 Cb 0.05 -0.42 -0.03 0.00 0.00 0.00 0.00 36.38 35.98 1i1k s VAL 535 CO -0.09 0.15 0.25 0.72 0.00 0.00 0.00 175.10 176.13 1i1k s PHE 536 N 0.07 0.98 0.14 5.22 -0.12 -0.67 -0.74 117.98 122.86 1i1k s PHE 536 Ca -0.00 -1.22 0.01 0.00 -0.05 0.00 0.00 56.93 55.67 1i1k s PHE 536 Cb -0.05 -0.34 -0.04 0.00 -0.63 0.00 0.00 43.02 41.96 1i1k s PHE 536 CO -0.00 -0.78 -0.00 -1.21 -0.05 0.00 0.00 175.22 173.18 1i1k s GLU 537 N -4.02 1.00 -0.16 1.99 0.41 -0.87 -4.76 118.70 112.29 1i1k s GLU 537 Ca 0.34 -1.46 -0.00 0.00 -0.41 0.00 0.00 54.97 53.43 1i1k s GLU 537 Cb 0.04 -0.14 0.04 0.00 -1.78 0.00 0.00 34.13 32.29 1i1k s GLU 537 CO 0.13 -0.13 -0.06 0.20 -0.49 0.00 0.00 175.26 174.91 1i1k s GLY 538 N -3.11 0.93 0.08 -1.39 0.00 -1.26 -3.83 107.32 98.74 1i1k s GLY 538 Ca 0.21 -0.78 0.06 0.00 0.00 0.00 0.00 44.72 44.20 1i1k s GLY 538 CO 0.01 0.93 -0.16 -0.42 0.00 0.00 0.00 173.10 173.45 1i1k s ILE 539 N 1.65 1.32 0.01 0.90 1.01 -0.62 -4.88 121.20 120.59 1i1k s ILE 539 Ca 0.01 -1.38 0.08 0.00 0.00 0.00 0.00 60.65 59.37 1i1k s ILE 539 Cb -0.15 -1.23 -0.02 0.00 0.01 0.00 0.00 42.46 41.07 1i1k s ILE 539 CO -0.08 -0.16 -0.24 -0.13 0.00 0.00 0.00 174.94 174.33 1i1k s ARG 540 N -1.77 1.77 -0.20 2.79 0.52 -1.26 -0.01 118.95 120.80 1i1k s ARG 540 Ca 0.01 -0.94 -0.04 0.00 -0.52 0.00 0.00 55.73 54.24 1i1k s ARG 540 Cb -0.10 -1.82 -0.01 0.00 0.52 0.00 0.00 34.95 33.54 1i1k s ARG 540 CO 0.03 0.48 -0.05 0.00 0.02 0.00 0.00 175.30 175.79 1i1k s TYR 542 N 1.13 2.91 -0.30 0.00 1.51 0.83 -1.69 117.35 121.74 1i1k s TYR 542 Ca 0.02 -0.05 -0.23 0.00 -1.01 0.00 0.00 57.07 55.79 1i1k s TYR 542 Cb -0.15 -1.54 -0.00 0.00 -0.11 0.00 0.00 41.96 40.16 1i1k s TYR 542 CO -0.00 0.44 0.78 0.34 -1.11 0.00 0.00 175.55 176.00 1i1k s ASP 543 N -2.00 6.67 0.04 2.29 2.15 -1.23 -0.36 116.67 124.23 1i1k s ASP 543 Ca 0.22 0.69 0.00 0.00 0.43 0.00 0.00 52.55 53.89 1i1k s ASP 543 Cb -0.11 -2.41 0.00 0.00 -0.30 0.00 0.00 42.92 40.10 1i1k s ASP 543 CO 0.14 -0.60 0.00 -1.54 -0.17 0.00 0.00 175.17 173.01 1i1k n SER 544 N 6.17 1.97 0.00 -0.34 3.41 -0.47 -4.95 113.62 119.40 1i1k n SER 544 Ca 0.04 -1.16 0.10 0.00 -0.26 0.00 0.00 58.87 57.59 1i1k n SER 544 Cb 0.48 0.02 0.45 0.00 -0.26 0.00 0.00 64.21 64.90 1i1k n SER 544 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1i1k n HIS 545 N -0.16 0.00 -0.81 7.33 1.44 -0.81 -2.02 115.22 120.20 1i1k n HIS 545 Ca -0.01 0.00 0.08 0.00 -2.01 0.00 0.00 57.72 55.77 1i1k n HIS 545 Cb 0.05 -0.45 0.14 0.00 0.12 0.00 0.00 29.99 29.85 1i1k n HIS 545 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 1i1k n LYS 546 N -1.45 2.02 0.00 -1.40 5.02 -1.26 -5.08 118.16 116.00 1i1k n LYS 546 Ca 0.06 -2.41 0.00 0.00 -2.02 0.00 0.00 58.31 53.94 1i1k n LYS 546 Cb 0.22 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 33.76 1i1k n LYS 546 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1i1k n GLY 547 N -0.96 -1.91 3.69 0.72 0.00 -0.86 -4.88 105.19 101.00 1i1k n GLY 547 Ca 0.14 -1.66 -0.44 0.00 0.00 0.00 0.00 46.02 44.06 1i1k n GLY 547 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1i1k n PRO 548 N 0.00 2.49 -3.78 1.61 -0.04 -1.26 -1.37 135.00 132.64 1i1k n PRO 548 Ca 0.00 0.90 -0.14 0.00 -0.04 0.00 0.00 63.50 64.22 1i1k n PRO 548 Cb 0.00 -2.71 -0.15 0.00 -0.04 0.00 0.00 33.50 30.60 1i1k n PRO 548 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1i1k s VAL 549 N 1.14 -0.05 -0.31 0.52 0.11 0.52 -2.35 120.40 119.98 1i1k s VAL 549 Ca 0.77 0.17 -0.23 0.00 -2.93 0.00 0.00 61.98 59.76 1i1k s VAL 549 Cb -0.59 -0.11 -0.00 0.00 -1.53 0.00 0.00 36.38 34.16 1i1k s VAL 549 CO 0.35 0.07 0.74 -0.69 -3.33 0.00 0.00 175.10 172.24 1i1k s VAL 550 N 0.88 4.83 -0.05 2.04 1.01 0.21 -0.12 120.40 129.21 1i1k s VAL 550 Ca -0.07 1.08 -0.30 0.00 0.00 0.00 0.00 61.98 62.69 1i1k s VAL 550 Cb -0.10 -4.11 -0.04 0.00 0.00 0.00 0.00 36.38 32.13 1i1k s VAL 550 CO -0.03 -0.22 1.34 0.12 0.00 0.00 0.00 175.10 176.30 1i1k s PHE 551 N 2.86 2.89 -1.44 5.22 5.36 -0.62 -2.26 117.98 129.99 1i1k s PHE 551 Ca 0.30 0.92 -0.05 0.00 -0.96 0.00 0.00 56.93 57.14 1i1k s PHE 551 Cb -0.14 -3.58 0.01 0.00 -0.34 0.00 0.00 43.02 38.96 1i1k s PHE 551 CO 0.12 -2.09 0.26 0.54 -1.46 0.00 0.00 175.22 172.59 1i1k n ARG 552 N 5.65 -1.64 0.21 10.12 1.74 0.59 -4.62 116.66 128.70 1i1k n ARG 552 Ca 0.13 0.21 -0.16 0.00 -0.77 0.00 0.00 57.85 57.26 1i1k n ARG 552 Cb 0.45 -3.79 -0.08 0.00 -1.02 0.00 0.00 32.46 28.02 1i1k n ARG 552 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 1i1k h HIS 553 N -1.91 -1.10 -0.80 -1.55 2.76 -1.76 -2.52 115.15 108.26 1i1k h HIS 553 Ca -0.66 0.01 0.01 0.00 -2.20 0.00 0.00 60.37 57.54 1i1k h HIS 553 Cb 1.39 0.44 -0.04 0.00 1.55 0.00 0.00 27.41 30.75 1i1k h HIS 553 CO 0.48 -0.54 0.53 -0.09 -1.30 0.00 0.00 177.93 177.02 1i1k h ARG 554 N -0.77 1.05 -0.69 5.26 2.43 -1.92 -2.41 114.38 117.34 1i1k h ARG 554 Ca -0.02 -0.06 0.02 0.00 -0.81 0.00 0.00 59.98 59.11 1i1k h ARG 554 Cb 0.71 -0.24 -0.04 0.00 -0.42 0.00 0.00 29.97 29.98 1i1k h ARG 554 CO -0.11 0.70 0.44 0.93 -1.51 0.00 0.00 179.97 180.41 1i1k h GLU 555 N 1.08 0.84 -0.43 0.20 3.07 -1.87 0.02 114.58 117.50 1i1k h GLU 555 Ca 0.30 -0.05 -0.12 0.00 -0.50 0.00 0.00 59.36 58.99 1i1k h GLU 555 Cb -0.12 -0.19 -0.01 0.00 -0.84 0.00 0.00 28.75 27.59 1i1k h GLU 555 CO -0.07 0.56 -0.18 0.45 -1.40 0.00 0.00 179.01 178.37 1i1k h HIS 556 N 0.87 1.01 -0.11 4.33 3.86 -1.14 -1.88 115.15 122.10 1i1k h HIS 556 Ca 0.27 -0.24 -0.09 0.00 -1.16 0.00 0.00 60.37 59.15 1i1k h HIS 556 Cb -0.02 -0.24 -0.01 0.00 1.06 0.00 0.00 27.41 28.20 1i1k h HIS 556 CO -0.04 1.02 -0.34 0.52 0.86 0.00 0.00 177.93 179.96 1i1k h MET 557 N 0.71 0.21 -0.34 2.45 2.86 -1.13 -1.04 114.93 118.65 1i1k h MET 557 Ca 0.10 -0.08 -0.14 0.00 -2.06 0.00 0.00 59.70 57.52 1i1k h MET 557 Cb 0.75 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.38 1i1k h MET 557 CO 0.06 0.53 -0.34 0.37 1.06 0.00 0.00 176.91 178.59 1i1k h GLN 558 N 0.19 0.76 -0.01 1.72 5.75 -0.81 -2.30 115.11 120.40 1i1k h GLN 558 Ca 0.02 -0.36 -0.12 0.00 -0.15 0.00 0.00 58.65 58.04 1i1k h GLN 558 Cb 0.69 -0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.22 1i1k h GLN 558 CO 0.05 0.99 -0.56 -0.09 -2.65 0.00 0.00 178.83 176.56 1i1k h ARG 559 N 0.64 0.03 -0.58 1.69 2.43 -0.90 -1.01 114.38 116.68 1i1k h ARG 559 Ca 0.07 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.19 1i1k h ARG 559 Cb 0.88 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.40 1i1k h ARG 559 CO 0.08 0.59 0.27 1.25 -1.51 0.00 0.00 179.97 180.65 1i1k h LEU 560 N 0.03 0.76 -0.57 3.80 6.46 -0.87 0.46 115.31 125.38 1i1k h LEU 560 Ca -0.00 -0.13 -0.13 0.00 -0.12 0.00 0.00 57.88 57.49 1i1k h LEU 560 Cb 1.00 -0.20 -0.01 0.00 -0.73 0.00 0.00 40.66 40.73 1i1k h LEU 560 CO 0.08 0.68 -0.25 0.45 -0.62 0.00 0.00 178.44 178.78 1i1k h HIS 561 N 0.79 1.01 -0.50 1.25 3.86 -1.12 -2.65 115.15 117.78 1i1k h HIS 561 Ca 0.20 -0.25 -0.09 0.00 -1.16 0.00 0.00 60.37 59.07 1i1k h HIS 561 Cb 0.13 -0.23 -0.02 0.00 1.06 0.00 0.00 27.41 28.34 1i1k h HIS 561 CO -0.00 1.03 -0.05 -0.44 0.86 0.00 0.00 177.93 179.33 1i1k h ASP 562 N 0.75 0.85 -0.59 2.45 3.32 -0.68 -0.49 116.42 122.04 1i1k h ASP 562 Ca 0.09 -0.24 -0.11 0.00 0.02 0.00 0.00 57.03 56.80 1i1k h ASP 562 Cb 0.80 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 40.10 1i1k h ASP 562 CO 0.07 0.94 -0.04 0.28 -1.72 0.00 0.00 179.24 178.77 1i1k h SER 563 N 0.80 1.06 0.12 6.45 0.02 -0.85 -2.32 113.55 118.82 1i1k h SER 563 Ca 0.14 -0.32 -0.14 0.00 -0.84 0.00 0.00 61.79 60.63 1i1k h SER 563 Cb 0.55 -0.29 -0.01 0.00 0.14 0.00 0.00 62.40 62.79 1i1k h SER 563 CO 0.03 1.13 -0.50 0.00 -1.14 0.00 0.00 176.83 176.35 1i1k h ALA 564 N 0.97 0.84 -0.75 3.77 0.00 -1.30 -3.11 119.26 119.68 1i1k h ALA 564 Ca 0.16 -0.48 -0.05 0.00 0.00 0.00 0.00 54.91 54.54 1i1k h ALA 564 Cb 0.61 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 1i1k h ALA 564 CO 0.04 0.67 0.27 -0.22 0.00 0.00 0.00 179.25 180.00 1i1k h LYS 565 N 0.34 1.15 -0.65 0.00 3.64 -0.80 0.20 116.57 120.44 1i1k h LYS 565 Ca 0.02 -0.22 -0.05 0.00 -1.27 0.00 0.00 60.65 59.12 1i1k h LYS 565 Cb 0.99 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 32.61 1i1k h LYS 565 CO 0.09 0.95 0.21 0.82 -2.27 0.00 0.00 179.45 179.25 1i1k h ILE 566 N 1.11 1.24 -0.01 2.00 2.04 -1.36 -2.40 117.51 120.13 1i1k h ILE 566 Ca 0.25 -0.82 0.00 0.00 1.00 0.00 0.00 64.86 65.28 1i1k h ILE 566 Cb 0.26 0.51 0.00 0.00 -0.74 0.00 0.00 36.82 36.85 1i1k h ILE 566 CO -0.01 0.32 -0.18 -1.22 0.00 0.00 0.00 178.15 177.06 1i1k n TYR 567 N -4.27 0.00 -2.18 1.37 4.02 -1.06 -4.95 117.16 110.09 1i1k n TYR 567 Ca 0.05 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.82 1i1k n TYR 567 Cb 0.21 -0.06 -0.01 0.00 -0.02 0.00 0.00 39.34 39.46 1i1k n TYR 567 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 1i1k n ARG 568 N -0.20 -0.97 -2.58 -0.72 1.74 0.46 -4.99 116.66 109.41 1i1k n ARG 568 Ca 0.14 0.61 -0.42 0.00 -0.77 0.00 0.00 57.85 57.41 1i1k n ARG 568 Cb 0.38 -4.78 -0.03 0.00 -1.02 0.00 0.00 32.46 27.01 1i1k n ARG 568 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1i1k s PHE 569 N -2.60 3.40 -0.02 -1.55 0.08 0.10 -4.99 117.98 112.40 1i1k s PHE 569 Ca 0.00 1.44 -0.30 0.00 0.12 0.00 0.00 56.93 58.19 1i1k s PHE 569 Cb 0.00 -3.29 -0.06 0.00 -0.57 0.00 0.00 43.02 39.10 1i1k s PHE 569 CO 0.00 -0.71 1.53 -2.14 -0.10 0.00 0.00 175.22 173.81 1i1k s PRO 570 N 1.92 4.22 -0.25 0.24 0.02 -1.26 -4.58 135.00 135.31 1i1k s PRO 570 Ca 0.52 2.09 0.03 0.00 0.02 0.00 0.00 61.00 63.66 1i1k s PRO 570 Cb -0.22 -3.75 0.06 0.00 0.02 0.00 0.00 34.50 30.61 1i1k s PRO 570 CO 0.21 -0.72 -0.11 0.08 -0.33 0.00 0.00 177.00 176.13 1i1k s VAL 571 N 3.14 2.14 -0.16 3.83 1.01 -1.26 -3.64 120.40 125.47 1i1k s VAL 571 Ca 0.68 -1.58 0.24 0.00 0.00 0.00 0.00 61.98 61.33 1i1k s VAL 571 Cb -0.33 -2.23 0.28 0.00 0.00 0.00 0.00 36.38 34.10 1i1k s VAL 571 CO 0.28 0.01 1.71 0.77 0.00 0.00 0.00 175.10 177.86 1i1k h SER 572 N 7.79 0.00 -3.22 3.32 4.64 -1.95 -3.45 113.55 120.68 1i1k h SER 572 Ca -0.21 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.54 1i1k h SER 572 Cb 1.05 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.09 1i1k h SER 572 CO 0.47 0.13 -0.05 -1.10 -0.87 0.00 0.00 176.83 175.42 1i1k s GLN 573 N -3.36 4.19 0.77 4.77 1.11 -1.26 -5.08 119.66 120.80 1i1k s GLN 573 Ca 0.04 0.71 -0.10 0.00 0.01 0.00 0.00 55.36 56.02 1i1k s GLN 573 Cb 0.07 -3.24 0.07 0.00 -1.01 0.00 0.00 33.01 28.90 1i1k s GLN 573 CO 0.65 0.63 1.12 -1.54 0.01 0.00 0.00 175.29 176.15 1i1k s SER 574 N -1.05 4.66 0.23 5.90 1.04 -1.26 -4.88 113.70 118.33 1i1k s SER 574 Ca 0.29 0.69 -0.08 0.00 0.48 0.00 0.00 55.95 57.32 1i1k s SER 574 Cb -0.19 -1.25 0.21 0.00 0.10 0.00 0.00 66.02 64.89 1i1k s SER 574 CO 0.18 -1.77 1.89 0.40 0.98 0.00 0.00 173.24 174.92 1i1k h ILE 575 N -0.88 1.20 -0.54 -1.02 1.08 -1.98 -1.76 117.51 113.61 1i1k h ILE 575 Ca -0.45 -0.39 -0.08 0.00 -0.39 0.00 0.00 64.86 63.55 1i1k h ILE 575 Cb 1.32 -0.03 -0.02 0.00 -3.07 0.00 0.00 36.82 35.02 1i1k h ILE 575 CO 0.64 0.21 0.01 0.44 -0.69 0.00 0.00 178.15 178.75 1i1k h ASP 576 N 1.13 0.92 -0.42 1.72 3.32 -1.99 -0.96 116.42 120.14 1i1k h ASP 576 Ca 0.32 -0.30 -0.01 0.00 0.02 0.00 0.00 57.03 57.05 1i1k h ASP 576 Cb -0.10 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.18 1i1k h ASP 576 CO -0.08 1.00 0.22 -0.33 -1.72 0.00 0.00 179.24 178.33 1i1k h GLU 577 N 0.82 0.60 -0.58 3.56 5.08 -1.85 -1.08 114.58 121.14 1i1k h GLU 577 Ca 0.15 -0.08 -0.05 0.00 -1.00 0.00 0.00 59.36 58.39 1i1k h GLU 577 Cb 0.52 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.63 1i1k h GLU 577 CO 0.03 0.50 0.17 -0.07 -1.00 0.00 0.00 179.01 178.63 1i1k h LEU 578 N 0.55 0.81 -0.63 1.33 3.38 -1.14 -1.26 115.31 118.34 1i1k h LEU 578 Ca 0.15 -0.13 -0.12 0.00 0.09 0.00 0.00 57.88 57.87 1i1k h LEU 578 Cb 0.08 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 1i1k h LEU 578 CO -0.02 0.77 -0.19 0.24 0.09 0.00 0.00 178.44 179.32 1i1k h MET 579 N 0.84 0.87 -0.35 1.13 2.86 -0.80 -0.93 114.93 118.56 1i1k h MET 579 Ca 0.19 -0.35 -0.08 0.00 -2.06 0.00 0.00 59.70 57.40 1i1k h MET 579 Cb 0.26 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.87 1i1k h MET 579 CO -0.01 0.99 -0.10 0.93 1.06 0.00 0.00 176.91 179.78 1i1k h GLU 580 N 0.76 0.69 -0.95 1.72 4.39 -0.93 -2.35 114.58 117.91 1i1k h GLU 580 Ca 0.11 -0.27 0.02 0.00 0.34 0.00 0.00 59.36 59.55 1i1k h GLU 580 Cb 0.73 -0.04 -0.05 0.00 -0.10 0.00 0.00 28.75 29.29 1i1k h GLU 580 CO 0.06 0.86 0.63 0.00 -1.16 0.00 0.00 179.01 179.40 1i1k h ALA 581 N 0.81 1.22 -0.18 3.43 0.00 -1.09 -0.12 119.26 123.34 1i1k h ALA 581 Ca 0.09 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1i1k h ALA 581 Cb 0.61 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1i1k h ALA 581 CO 0.04 0.58 0.08 0.00 0.00 0.00 0.00 179.25 179.95 1i1k h ARG 583 N 0.15 0.87 -0.95 0.00 3.08 -1.01 -2.43 114.38 114.10 1i1k h ARG 583 Ca 0.06 -0.10 0.06 0.00 0.07 0.00 0.00 59.98 60.06 1i1k h ARG 583 Cb 0.14 -0.17 -0.06 0.00 0.08 0.00 0.00 29.97 29.96 1i1k h ARG 583 CO -0.01 0.66 0.61 -0.44 -1.07 0.00 0.00 179.97 179.72 1i1k h ASP 584 N 0.85 0.98 -0.81 7.04 3.32 -0.73 -0.50 116.42 126.57 1i1k h ASP 584 Ca 0.22 0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.23 1i1k h ASP 584 Cb 0.04 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 39.35 1i1k h ASP 584 CO -0.04 0.64 0.33 0.58 -1.72 0.00 0.00 179.24 179.04 1i1k h VAL 585 N 1.12 1.26 -0.24 -1.35 2.07 -0.76 0.65 116.25 119.00 1i1k h VAL 585 Ca 0.40 -0.81 -0.10 0.00 0.82 0.00 0.00 66.70 67.01 1i1k h VAL 585 Cb 0.12 0.29 -0.00 0.00 -1.52 0.00 0.00 31.29 30.17 1i1k h VAL 585 CO -0.16 0.34 -0.22 0.40 0.02 0.00 0.00 177.57 177.95 1i1k h ILE 586 N 1.17 1.31 0.13 4.57 2.04 -0.92 -2.71 117.51 123.10 1i1k h ILE 586 Ca 0.27 -1.37 -0.01 0.00 1.00 0.00 0.00 64.86 64.75 1i1k h ILE 586 Cb 0.20 1.66 0.00 0.00 -0.74 0.00 0.00 36.82 37.95 1i1k h ILE 586 CO -0.02 0.43 -0.06 0.03 0.00 0.00 0.00 178.15 178.52 1i1k h ARG 587 N 0.29 -0.17 0.00 2.37 3.08 -0.95 -1.25 114.38 117.75 1i1k h ARG 587 Ca 0.04 0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.10 1i1k h ARG 587 Cb 0.77 0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.86 1i1k h ARG 587 CO 0.06 0.16 -0.00 0.87 -1.07 0.00 0.00 179.97 179.98 1i1k h LYS 588 N -0.50 0.00 -0.40 0.04 1.57 -0.96 0.66 116.57 116.98 1i1k h LYS 588 Ca -0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1i1k h LYS 588 Cb 0.40 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.71 1i1k h LYS 588 CO 0.03 0.00 0.00 0.09 -0.57 0.00 0.00 179.45 179.00 1i1k n ASN 589 N -3.16 3.37 -3.90 0.86 5.03 -1.02 -4.97 115.26 111.47 1i1k n ASN 589 Ca -0.03 -1.96 -0.27 0.00 0.87 0.00 0.00 54.58 53.20 1i1k n ASN 589 Cb 0.10 -0.26 0.01 0.00 -1.02 0.00 0.00 39.78 38.61 1i1k n ASN 589 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 1i1k n ASN 590 N 1.35 -2.58 -4.90 6.41 5.03 0.22 -4.92 115.26 115.88 1i1k n ASN 590 Ca 0.18 -0.87 -0.34 0.00 0.87 0.00 0.00 54.58 54.43 1i1k n ASN 590 Cb 0.57 -3.63 -0.05 0.00 -1.02 0.00 0.00 39.78 35.65 1i1k n ASN 590 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1i1k s LEU 591 N -7.03 4.35 -0.00 3.41 1.43 -0.51 -4.98 118.68 115.33 1i1k s LEU 591 Ca 0.34 0.35 0.00 0.00 -1.03 0.00 0.00 54.13 53.78 1i1k s LEU 591 Cb -0.17 -2.55 -0.00 0.00 0.03 0.00 0.00 46.19 43.50 1i1k s LEU 591 CO 0.85 0.28 -0.00 0.35 0.23 0.00 0.00 176.35 178.05 1i1k n THR 592 N 1.05 0.01 -3.98 5.49 -2.24 -1.26 -4.70 114.28 108.65 1i1k n THR 592 Ca -0.12 -0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.36 1i1k n THR 592 Cb 0.53 -0.63 -0.16 0.00 -2.10 0.00 0.00 70.33 67.97 1i1k n THR 592 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1i1k s SER 593 N -3.77 3.36 0.30 3.42 0.15 -1.26 -3.55 113.70 112.35 1i1k s SER 593 Ca -0.00 -0.88 -0.20 0.00 0.70 0.00 0.00 55.95 55.56 1i1k s SER 593 Cb 0.00 -1.19 0.03 0.00 -1.71 0.00 0.00 66.02 63.15 1i1k s SER 593 CO 0.00 -0.16 0.73 0.00 1.20 0.00 0.00 173.24 175.01 1i1k s ALA 594 N 1.43 -1.12 -0.19 5.45 0.00 -0.68 -2.37 121.76 124.28 1i1k s ALA 594 Ca -0.01 -0.39 -0.02 0.00 0.00 0.00 0.00 51.96 51.53 1i1k s ALA 594 Cb -0.16 0.82 -0.01 0.00 0.00 0.00 0.00 23.12 23.77 1i1k s ALA 594 CO -0.08 -1.03 -0.08 -0.47 0.00 0.00 0.00 175.76 174.10 1i1k s TYR 595 N -3.65 2.91 -0.12 0.00 5.04 -0.10 -0.71 117.35 120.72 1i1k s TYR 595 Ca 0.12 -0.85 -0.06 0.00 -2.44 0.00 0.00 57.07 53.85 1i1k s TYR 595 Cb -0.06 -2.00 -0.04 0.00 0.35 0.00 0.00 41.96 40.21 1i1k s TYR 595 CO 0.08 -0.42 0.09 0.42 -1.34 0.00 0.00 175.55 174.37 1i1k s ILE 596 N 1.04 5.07 -0.40 3.14 1.09 0.99 -2.01 121.20 130.12 1i1k s ILE 596 Ca 0.00 0.04 0.02 0.00 -1.10 0.00 0.00 60.65 59.61 1i1k s ILE 596 Cb -0.15 -3.20 0.12 0.00 -1.06 0.00 0.00 42.46 38.18 1i1k s ILE 596 CO -0.01 0.59 0.19 -0.60 -0.10 0.00 0.00 174.94 175.02 1i1k s ARG 597 N -0.80 1.17 0.20 2.79 6.06 0.12 -1.59 118.95 126.90 1i1k s ARG 597 Ca 0.13 -1.78 -0.29 0.00 -2.50 0.00 0.00 55.73 51.29 1i1k s ARG 597 Cb -0.12 -2.32 -0.08 0.00 0.06 0.00 0.00 34.95 32.49 1i1k s ARG 597 CO 0.03 -1.10 0.91 -2.14 -2.50 0.00 0.00 175.30 170.50 1i1k s PRO 598 N 0.69 4.78 -0.05 5.12 0.02 -1.25 -2.14 135.00 142.17 1i1k s PRO 598 Ca 0.15 1.42 -0.02 0.00 0.02 0.00 0.00 61.00 62.57 1i1k s PRO 598 Cb -0.22 -3.29 0.03 0.00 0.02 0.00 0.00 34.50 31.03 1i1k s PRO 598 CO -0.06 0.47 0.08 -1.17 -0.33 0.00 0.00 177.00 175.99 1i1k s LEU 599 N -0.96 0.24 -0.21 -5.54 0.20 0.97 -2.06 118.68 111.33 1i1k s LEU 599 Ca 0.41 0.14 -0.04 0.00 0.69 0.00 0.00 54.13 55.33 1i1k s LEU 599 Cb -0.25 -0.02 -0.01 0.00 -0.43 0.00 0.00 46.19 45.48 1i1k s LEU 599 CO 0.30 -0.23 -0.03 -0.63 -0.29 0.00 0.00 176.35 175.48 1i1k s ILE 600 N 2.01 3.59 0.03 6.68 1.01 0.08 -1.04 121.20 133.56 1i1k s ILE 600 Ca 0.02 -0.43 -0.03 0.00 0.00 0.00 0.00 60.65 60.22 1i1k s ILE 600 Cb -0.12 -2.63 -0.02 0.00 0.01 0.00 0.00 42.46 39.70 1i1k s ILE 600 CO -0.04 0.42 0.02 0.72 0.00 0.00 0.00 174.94 176.06 1i1k s PHE 601 N 1.33 0.30 -0.30 3.97 -0.12 -0.38 -0.71 117.98 122.07 1i1k s PHE 601 Ca 0.04 -0.65 -0.28 0.00 -0.05 0.00 0.00 56.93 55.99 1i1k s PHE 601 Cb -0.14 -0.22 0.01 0.00 -0.63 0.00 0.00 43.02 42.04 1i1k s PHE 601 CO -0.01 -0.31 0.99 0.08 -0.05 0.00 0.00 175.22 175.93 1i1k s VAL 602 N -2.53 4.62 0.00 -2.49 1.01 -0.94 -0.88 120.40 119.19 1i1k s VAL 602 Ca -0.06 1.66 0.00 0.00 0.00 0.00 0.00 61.98 63.59 1i1k s VAL 602 Cb -0.02 -4.32 0.00 0.00 0.00 0.00 0.00 36.38 32.04 1i1k s VAL 602 CO -0.05 -0.35 0.00 0.61 0.00 0.00 0.00 175.10 175.31 1i1k n GLY 603 N 3.83 1.36 3.58 4.51 0.00 -1.26 -1.24 105.19 115.98 1i1k n GLY 603 Ca 0.10 -1.57 -0.28 0.00 0.00 0.00 0.00 46.02 44.27 1i1k n GLY 603 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1i1k n ASP 604 N 0.00 3.03 -0.52 1.61 4.64 -1.26 -1.15 116.55 122.89 1i1k n ASP 604 Ca 0.00 -2.69 0.00 0.00 -1.38 0.00 0.00 54.79 50.72 1i1k n ASP 604 Cb 0.00 -1.74 0.00 0.00 -1.04 0.00 0.00 41.12 38.34 1i1k n ASP 604 CO 0.00 0.00 0.00 1.33 -0.82 0.00 0.00 177.20 177.71 1i1k n VAL 605 N 7.85 0.00 -0.36 5.18 0.24 -1.26 -5.01 118.33 124.96 1i1k n VAL 605 Ca 0.45 0.00 -0.14 0.00 -2.04 0.00 0.00 64.34 62.61 1i1k n VAL 605 Cb 0.47 -0.18 0.13 0.00 -1.47 0.00 0.00 33.84 32.78 1i1k n VAL 605 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1i1k n GLY 606 N 5.00 -3.34 1.01 7.63 0.00 -1.26 -4.81 105.19 109.42 1i1k n GLY 606 Ca 0.00 -1.34 0.12 0.00 0.00 0.00 0.00 46.02 44.79 1i1k n GLY 606 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1i1k n MET 607 N -3.46 2.35 -2.47 1.61 2.81 -1.26 -4.76 117.12 111.94 1i1k n MET 607 Ca 0.07 -2.03 -0.36 0.00 -1.81 0.00 0.00 57.70 53.57 1i1k n MET 607 Cb 0.27 -1.47 -0.03 0.00 -0.71 0.00 0.00 33.22 31.28 1i1k n MET 607 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1i1k s GLY 608 N -1.80 2.68 0.20 3.03 0.00 -1.26 -4.94 107.32 105.23 1i1k s GLY 608 Ca 0.31 0.73 -0.10 0.00 0.00 0.00 0.00 44.72 45.66 1i1k s GLY 608 CO 0.30 1.13 1.84 -2.08 0.00 0.00 0.00 173.10 174.29 1i1k h VAL 609 N 1.92 1.06 -3.60 1.40 2.07 -2.03 -3.38 116.25 113.70 1i1k h VAL 609 Ca -0.49 -0.27 -0.61 0.00 0.82 0.00 0.00 66.70 66.15 1i1k h VAL 609 Cb 1.22 0.20 -0.11 0.00 -1.52 0.00 0.00 31.29 31.08 1i1k h VAL 609 CO 0.61 0.14 0.51 0.20 0.02 0.00 0.00 177.57 179.06 1i1k s ASN 610 N -5.69 6.53 0.53 0.57 0.01 -1.26 -5.03 114.94 110.59 1i1k s ASN 610 Ca -0.13 0.21 -0.22 0.00 -0.71 0.00 0.00 52.86 52.01 1i1k s ASN 610 Cb 0.15 -2.43 -0.06 0.00 0.41 0.00 0.00 41.25 39.32 1i1k s ASN 610 CO 0.76 -0.94 1.36 -2.65 -1.51 0.00 0.00 177.10 174.13 1i1k n PRO 611 N 6.89 1.78 -2.05 -0.60 -0.02 -1.26 -4.94 135.00 134.80 1i1k n PRO 611 Ca 0.05 0.65 -0.40 0.00 -2.02 0.00 0.00 63.50 61.78 1i1k n PRO 611 Cb 0.48 -2.57 -0.01 0.00 -0.02 0.00 0.00 33.50 31.38 1i1k n PRO 611 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1i1k s PRO 612 N -2.79 4.17 0.36 0.52 0.04 -1.26 -4.95 135.00 131.10 1i1k s PRO 612 Ca 0.70 2.24 -0.27 0.00 0.04 0.00 0.00 61.00 63.71 1i1k s PRO 612 Cb -0.43 -2.93 -0.12 0.00 0.04 0.00 0.00 34.50 31.07 1i1k s PRO 612 CO 0.51 -0.35 1.22 0.00 0.04 0.00 0.00 177.00 178.41 1i1k n ALA 613 N 0.49 0.98 -0.44 8.56 0.00 -1.26 -2.45 120.51 126.38 1i1k n ALA 613 Ca 0.02 0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.78 1i1k n ALA 613 Cb 0.42 -2.21 0.00 0.00 0.00 0.00 0.00 19.45 17.66 1i1k n ALA 613 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1i1k n GLY 614 N 0.88 0.72 3.79 0.00 0.00 -1.26 -5.06 105.19 104.27 1i1k n GLY 614 Ca 0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.78 1i1k n GLY 614 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1i1k s TYR 615 N -2.85 2.78 0.11 1.61 -0.85 -1.03 -5.07 117.35 112.05 1i1k s TYR 615 Ca 0.00 1.37 0.06 0.00 -0.52 0.00 0.00 57.07 57.99 1i1k s TYR 615 Cb 0.00 -3.02 -0.03 0.00 0.38 0.00 0.00 41.96 39.28 1i1k s TYR 615 CO 0.00 -1.69 -0.16 -1.54 -1.52 0.00 0.00 175.55 170.64 1i1k s SER 616 N -3.65 2.08 0.32 -0.18 1.04 -1.26 -4.83 113.70 107.23 1i1k s SER 616 Ca 0.60 -0.73 -0.02 0.00 0.48 0.00 0.00 55.95 56.29 1i1k s SER 616 Cb -0.16 -0.09 -0.04 0.00 0.10 0.00 0.00 66.02 65.84 1i1k s SER 616 CO 0.55 -0.07 0.55 0.42 0.98 0.00 0.00 173.24 175.67 1i1k s THR 617 N -1.66 5.08 0.06 2.02 -4.23 -1.24 -4.66 115.64 111.00 1i1k s THR 617 Ca 0.06 -0.25 -0.11 0.00 -1.18 0.00 0.00 61.69 60.20 1i1k s THR 617 Cb -0.08 -3.81 -0.06 0.00 1.34 0.00 0.00 72.50 69.90 1i1k s THR 617 CO 0.03 -0.46 0.41 -1.81 -0.54 0.00 0.00 174.62 172.25 1i1k s ASP 618 N -3.68 6.70 -0.06 3.99 1.01 -0.06 -4.92 116.67 119.65 1i1k s ASP 618 Ca 0.41 0.85 0.03 0.00 0.71 0.00 0.00 52.55 54.56 1i1k s ASP 618 Cb -0.10 -2.20 0.00 0.00 1.01 0.00 0.00 42.92 41.63 1i1k s ASP 618 CO 0.34 0.22 -0.15 -0.69 0.21 0.00 0.00 175.17 175.10 1i1k s VAL 619 N -1.31 1.29 0.02 -1.27 1.01 -1.26 -1.25 120.40 117.63 1i1k s VAL 619 Ca 0.30 -0.60 0.04 0.00 0.00 0.00 0.00 61.98 61.72 1i1k s VAL 619 Cb -0.15 -1.14 -0.02 0.00 0.00 0.00 0.00 36.38 35.08 1i1k s VAL 619 CO 0.17 0.38 -0.12 -0.63 0.00 0.00 0.00 175.10 174.89 1i1k s ILE 620 N 0.35 0.96 -0.22 2.22 -1.09 -0.21 -1.02 121.20 122.19 1i1k s ILE 620 Ca -0.10 -0.75 -0.03 0.00 -2.23 0.00 0.00 60.65 57.54 1i1k s ILE 620 Cb -0.14 -0.85 0.07 0.00 -1.58 0.00 0.00 42.46 39.97 1i1k s ILE 620 CO 0.03 0.10 0.08 -0.63 -1.23 0.00 0.00 174.94 173.29 1i1k s ILE 621 N -0.60 0.29 -0.01 2.92 1.01 -0.18 -0.02 121.20 124.61 1i1k s ILE 621 Ca 0.02 -0.62 0.04 0.00 0.00 0.00 0.00 60.65 60.09 1i1k s ILE 621 Cb -0.06 -0.99 -0.03 0.00 0.01 0.00 0.00 42.46 41.38 1i1k s ILE 621 CO 0.00 -0.40 -0.12 0.00 0.00 0.00 0.00 174.94 174.42 1i1k s ALA 622 N 1.95 2.80 0.04 9.38 0.00 -0.91 -1.96 121.76 133.05 1i1k s ALA 622 Ca 0.03 -1.03 0.03 0.00 0.00 0.00 0.00 51.96 50.99 1i1k s ALA 622 Cb -0.17 -1.00 -0.02 0.00 0.00 0.00 0.00 23.12 21.94 1i1k s ALA 622 CO -0.17 0.58 -0.10 0.00 0.00 0.00 0.00 175.76 176.07 1i1k s ALA 623 N -0.88 0.84 -0.02 0.00 0.00 -1.26 0.13 121.76 120.58 1i1k s ALA 623 Ca 0.14 -0.71 -0.17 0.00 0.00 0.00 0.00 51.96 51.22 1i1k s ALA 623 Cb -0.11 -0.09 0.03 0.00 0.00 0.00 0.00 23.12 22.95 1i1k s ALA 623 CO 0.04 0.12 0.37 -0.59 0.00 0.00 0.00 175.76 175.69 1i1k s PHE 624 N -0.93 -0.25 0.42 0.00 -0.12 -0.85 -4.62 117.98 111.63 1i1k s PHE 624 Ca -0.02 0.40 -0.24 0.00 -0.05 0.00 0.00 56.93 57.02 1i1k s PHE 624 Cb -0.08 0.14 -0.11 0.00 -0.63 0.00 0.00 43.02 42.35 1i1k s PHE 624 CO 0.01 -0.42 0.91 -0.35 -0.05 0.00 0.00 175.22 175.32 1i1k n PRO 625 N 1.23 1.16 -4.70 1.99 -0.04 -1.26 -0.93 135.00 132.45 1i1k n PRO 625 Ca -0.21 0.42 -0.31 0.00 -0.04 0.00 0.00 63.50 63.36 1i1k n PRO 625 Cb 0.56 -1.93 -0.08 0.00 -0.04 0.00 0.00 33.50 32.01 1i1k n PRO 625 CO 0.00 0.00 0.00 -0.46 -0.04 0.00 0.00 175.50 175.00 1i1k s TRP 626 N -1.32 1.87 -2.01 0.54 -0.11 -1.00 -4.67 118.94 112.24 1i1k s TRP 626 Ca 0.64 -1.03 0.00 0.00 1.22 0.00 0.00 56.10 56.93 1i1k s TRP 626 Cb -0.57 -1.51 0.00 0.00 -1.50 0.00 0.00 33.47 29.89 1i1k s TRP 626 CO 0.57 0.11 0.00 0.00 -4.62 0.00 0.00 176.95 173.01 1i1k n ALA 634 N -1.17 -0.42 -1.00 5.86 0.00 -1.17 -5.02 120.51 117.58 1i1k n ALA 634 Ca -0.16 0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.55 1i1k n ALA 634 Cb 0.66 -2.07 0.00 0.00 0.00 0.00 0.00 19.45 18.04 1i1k n ALA 634 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1i1k n LEU 635 N -2.55 0.00 0.00 0.00 -0.00 -1.26 -4.95 117.00 108.24 1i1k n LEU 635 Ca -0.22 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.79 1i1k n LEU 635 Cb 0.68 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.10 1i1k n LEU 635 CO 0.30 0.00 -0.13 -0.62 -0.00 0.00 0.00 177.39 176.94 1i1k n GLU 636 N -0.55 3.57 -0.08 1.47 4.71 -1.26 -4.73 120.64 123.77 1i1k n GLU 636 Ca 0.00 0.00 -0.14 0.00 -0.01 0.00 0.00 57.16 57.01 1i1k n GLU 636 Cb 0.00 -0.53 -0.14 0.00 -1.01 0.00 0.00 31.44 29.76 1i1k n GLU 636 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1i1k n GLN 637 N -0.79 0.68 0.00 3.49 10.64 -1.26 -3.21 117.38 126.92 1i1k n GLN 637 Ca 0.00 0.14 0.00 0.00 -1.83 0.00 0.00 57.00 55.31 1i1k n GLN 637 Cb 0.00 -1.60 0.00 0.00 -0.86 0.00 0.00 30.24 27.78 1i1k n GLN 637 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1i1k n GLY 638 N 1.90 -0.18 3.62 2.61 0.00 -1.26 -4.29 105.19 107.59 1i1k n GLY 638 Ca -0.33 -1.76 -0.25 0.00 0.00 0.00 0.00 46.02 43.67 1i1k n GLY 638 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1i1k s ILE 639 N -2.05 2.59 -0.21 -0.61 -4.36 -0.24 -3.06 121.20 113.26 1i1k s ILE 639 Ca 0.00 -2.00 -0.10 0.00 -0.26 0.00 0.00 60.65 58.30 1i1k s ILE 639 Cb 0.00 -2.78 -0.05 0.00 1.25 0.00 0.00 42.46 40.88 1i1k s ILE 639 CO 0.00 -0.20 0.12 -1.81 0.24 0.00 0.00 174.94 173.29 1i1k s ASP 640 N -3.70 6.08 0.24 4.36 1.01 -1.26 -1.07 116.67 122.33 1i1k s ASP 640 Ca 0.34 0.18 0.11 0.00 0.71 0.00 0.00 52.55 53.89 1i1k s ASP 640 Cb 0.00 -2.07 -0.05 0.00 1.01 0.00 0.00 42.92 41.81 1i1k s ASP 640 CO 0.19 0.15 -0.19 0.00 0.21 0.00 0.00 175.17 175.53 1i1k s ALA 641 N 0.52 2.47 0.05 5.23 0.00 -0.18 -0.99 121.76 128.87 1i1k s ALA 641 Ca 0.07 -1.77 0.03 0.00 0.00 0.00 0.00 51.96 50.29 1i1k s ALA 641 Cb -0.12 -0.22 -0.03 0.00 0.00 0.00 0.00 23.12 22.76 1i1k s ALA 641 CO -0.00 0.24 -0.09 0.00 0.00 0.00 0.00 175.76 175.90 1i1k s MET 642 N -3.40 0.62 -0.21 0.00 0.23 -0.93 -0.70 119.30 114.90 1i1k s MET 642 Ca 0.26 -0.86 -0.27 0.00 -1.03 0.00 0.00 55.69 53.78 1i1k s MET 642 Cb -0.04 -0.39 0.00 0.00 -1.53 0.00 0.00 34.83 32.87 1i1k s MET 642 CO 0.12 0.07 0.96 0.08 -2.03 0.00 0.00 175.02 174.21 1i1k s VAL 643 N -1.62 4.76 0.74 5.16 1.01 -1.26 -0.49 120.40 128.71 1i1k s VAL 643 Ca -0.06 1.86 -0.12 0.00 0.00 0.00 0.00 61.98 63.66 1i1k s VAL 643 Cb -0.08 -4.24 0.05 0.00 0.00 0.00 0.00 36.38 32.10 1i1k s VAL 643 CO 0.00 -0.10 1.11 -0.55 0.00 0.00 0.00 175.10 175.56 1i1k s SER 644 N 1.22 4.52 0.00 3.32 0.15 0.18 -4.87 113.70 118.22 1i1k s SER 644 Ca 0.41 1.97 0.27 0.00 0.70 0.00 0.00 55.95 59.30 1i1k s SER 644 Cb -0.16 -2.54 0.84 0.00 -1.71 0.00 0.00 66.02 62.46 1i1k s SER 644 CO 0.09 -2.03 1.64 -1.54 1.20 0.00 0.00 173.24 172.60 1i1k n SER 645 N -3.15 0.41 -4.82 5.45 3.41 -1.26 -4.76 113.62 108.89 1i1k n SER 645 Ca 0.10 -0.16 -0.36 0.00 -0.26 0.00 0.00 58.87 58.19 1i1k n SER 645 Cb 0.52 -0.02 -0.07 0.00 -0.26 0.00 0.00 64.21 64.39 1i1k n SER 645 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 1i1k s TRP 646 N -2.87 3.53 0.20 7.33 0.52 -1.26 -5.10 118.94 121.29 1i1k s TRP 646 Ca 0.16 0.45 -0.02 0.00 0.02 0.00 0.00 56.10 56.72 1i1k s TRP 646 Cb 0.18 -2.01 -0.04 0.00 -1.15 0.00 0.00 33.47 30.45 1i1k s TRP 646 CO 0.60 0.58 0.40 -0.80 0.02 0.00 0.00 176.95 177.75 1i1k s ASN 647 N -0.54 6.40 0.48 2.95 0.02 -1.26 -4.33 114.94 118.66 1i1k s ASN 647 Ca 0.12 0.45 -0.13 0.00 -1.02 0.00 0.00 52.86 52.28 1i1k s ASN 647 Cb -0.12 -2.03 -0.07 0.00 0.02 0.00 0.00 41.25 39.06 1i1k s ASN 647 CO 0.02 -0.05 0.89 -0.13 0.02 0.00 0.00 177.10 177.85 1i1k s ARG 648 N -3.27 3.83 0.14 -0.60 0.52 -0.66 -4.97 118.95 113.93 1i1k s ARG 648 Ca 0.39 0.70 -0.32 0.00 -0.52 0.00 0.00 55.73 55.98 1i1k s ARG 648 Cb -0.11 -2.25 -0.18 0.00 0.52 0.00 0.00 34.95 32.93 1i1k s ARG 648 CO 0.29 -0.20 0.78 0.00 0.02 0.00 0.00 175.30 176.19 1i1k n ALA 649 N -1.60 -2.83 -1.76 2.13 0.00 -1.26 -4.15 120.51 111.04 1i1k n ALA 649 Ca 0.04 0.49 -0.35 0.00 0.00 0.00 0.00 53.44 53.63 1i1k n ALA 649 Cb 0.54 -1.71 0.01 0.00 0.00 0.00 0.00 19.45 18.29 1i1k n ALA 649 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1i1k s ALA 650 N -0.60 2.66 0.20 0.00 0.00 -1.26 -4.80 121.76 117.97 1i1k s ALA 650 Ca 0.73 0.84 -0.14 0.00 0.00 0.00 0.00 51.96 53.40 1i1k s ALA 650 Cb -1.02 -3.37 0.23 0.00 0.00 0.00 0.00 23.12 18.96 1i1k s ALA 650 CO 0.56 -0.86 1.34 -2.30 0.00 0.00 0.00 175.76 174.50 1i1k n PRO 651 N -1.40 -0.18 -1.99 0.00 -0.02 -1.26 -2.81 135.00 127.34 1i1k n PRO 651 Ca 0.12 1.33 -0.31 0.00 -2.02 0.00 0.00 63.50 62.62 1i1k n PRO 651 Cb 0.51 -1.98 0.03 0.00 -0.02 0.00 0.00 33.50 32.04 1i1k n PRO 651 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1i1k n ASN 652 N -5.29 6.11 0.00 2.55 5.15 -1.26 -4.75 115.26 117.77 1i1k n ASN 652 Ca 0.10 -3.77 0.00 0.00 -0.60 0.00 0.00 54.58 50.30 1i1k n ASN 652 Cb 0.36 -0.69 0.00 0.00 -0.53 0.00 0.00 39.78 38.92 1i1k n ASN 652 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1i1k n THR 653 N -0.64 0.00 -4.04 -0.44 -2.24 -1.12 -5.01 114.28 100.78 1i1k n THR 653 Ca 0.49 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.94 1i1k n THR 653 Cb 0.63 -0.54 -0.15 0.00 -2.10 0.00 0.00 70.33 68.17 1i1k n THR 653 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1i1k s ILE 654 N 0.00 2.41 -0.36 2.28 1.01 -1.26 -5.07 121.20 120.21 1i1k s ILE 654 Ca 0.00 -1.21 -0.41 0.00 0.00 0.00 0.00 60.65 59.03 1i1k s ILE 654 Cb 0.00 -2.23 -0.16 0.00 0.01 0.00 0.00 42.46 40.07 1i1k s ILE 654 CO 0.00 0.22 1.82 -2.65 0.00 0.00 0.00 174.94 174.33 1i1k n PRO 655 N 4.58 0.76 0.04 2.79 -0.02 -1.26 -4.86 135.00 137.02 1i1k n PRO 655 Ca -0.17 0.26 0.13 0.00 -2.02 0.00 0.00 63.50 61.71 1i1k n PRO 655 Cb 0.46 -1.95 0.44 0.00 -0.02 0.00 0.00 33.50 32.44 1i1k n PRO 655 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1i1k n THR 656 N 5.04 0.24 0.45 3.45 -2.24 -1.26 -3.41 114.28 116.56 1i1k n THR 656 Ca 0.33 -0.13 0.13 0.00 -2.27 0.00 0.00 64.05 62.10 1i1k n THR 656 Cb 0.08 -0.39 0.29 0.00 -2.10 0.00 0.00 70.33 68.21 1i1k n THR 656 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1i1k h ALA 657 N 2.78 0.97 -2.96 6.98 0.00 -1.89 -3.37 119.26 121.77 1i1k h ALA 657 Ca 0.00 0.00 -0.59 0.00 0.00 0.00 0.00 54.91 54.32 1i1k h ALA 657 Cb 0.61 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.32 1i1k h ALA 657 CO 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 179.25 178.99 1i1k s ALA 658 N -3.15 3.59 -1.21 0.00 0.00 -1.22 -4.72 121.76 115.05 1i1k s ALA 658 Ca 0.09 -0.35 -0.12 0.00 0.00 0.00 0.00 51.96 51.58 1i1k s ALA 658 Cb 0.09 -2.45 0.19 0.00 0.00 0.00 0.00 23.12 20.95 1i1k s ALA 658 CO 0.64 0.15 1.49 1.17 0.00 0.00 0.00 175.76 179.21 1i1k n LYS 659 N 3.25 3.48 -4.05 0.00 4.81 -1.26 -4.98 118.16 119.41 1i1k n LYS 659 Ca -0.11 -3.88 -0.26 0.00 -0.87 0.00 0.00 58.31 53.18 1i1k n LYS 659 Cb 0.52 -2.94 -0.05 0.00 0.02 0.00 0.00 35.03 32.58 1i1k n LYS 659 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1i1k s ALA 660 N 0.84 3.67 0.12 3.14 0.00 -1.26 -1.66 121.76 126.60 1i1k s ALA 660 Ca 0.40 -1.16 -0.21 0.00 0.00 0.00 0.00 51.96 51.00 1i1k s ALA 660 Cb -0.01 -1.47 -0.06 0.00 0.00 0.00 0.00 23.12 21.58 1i1k s ALA 660 CO -0.00 0.52 1.72 0.78 0.00 0.00 0.00 175.76 178.78 1i1k h GLY 661 N 2.38 0.12 1.17 0.00 0.00 -1.21 -2.73 103.07 102.79 1i1k h GLY 661 Ca -0.48 0.03 0.09 0.00 0.00 0.00 0.00 47.33 46.97 1i1k h GLY 661 CO 0.65 -0.04 0.33 -1.33 0.00 0.00 0.00 176.54 176.15 1i1k h GLY 662 N 0.02 0.00 1.97 4.60 0.00 -1.76 -1.22 103.07 106.69 1i1k h GLY 662 Ca 0.07 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.37 1i1k h GLY 662 CO -0.13 0.00 -0.13 3.43 0.00 0.00 0.00 176.54 179.71 1i1k h ASN 663 N 0.00 0.03 0.17 0.19 4.21 -1.81 -3.13 115.58 115.23 1i1k h ASN 663 Ca 0.14 -0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.65 1i1k h ASN 663 Cb 0.81 -0.01 0.00 0.00 -1.12 0.00 0.00 38.32 38.00 1i1k h ASN 663 CO -0.00 0.17 0.00 -1.22 -1.29 0.00 0.00 177.43 175.09 1i1k n TYR 664 N -4.37 0.00 0.10 1.19 4.02 -0.46 -2.16 117.16 115.47 1i1k n TYR 664 Ca -0.02 0.00 -0.01 0.00 -0.01 0.00 0.00 57.90 57.86 1i1k n TYR 664 Cb 0.21 -0.19 0.27 0.00 -0.02 0.00 0.00 39.34 39.61 1i1k n TYR 664 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 176.86 175.78 1i1k h LEU 665 N 0.00 0.26 -0.06 7.72 3.38 -1.76 -1.05 115.31 123.80 1i1k h LEU 665 Ca 0.00 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 1i1k h LEU 665 Cb 0.08 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 1i1k h LEU 665 CO 0.00 0.56 -0.03 -1.28 0.09 0.00 0.00 178.44 177.79 1i1k h SER 666 N 0.23 0.12 0.10 -0.43 0.87 -1.69 -1.97 113.55 110.77 1i1k h SER 666 Ca 0.03 -0.41 -0.02 0.00 -1.23 0.00 0.00 61.79 60.16 1i1k h SER 666 Cb 0.67 -0.03 -0.00 0.00 -0.44 0.00 0.00 62.40 62.59 1i1k h SER 666 CO 0.05 0.50 -0.10 0.28 -0.53 0.00 0.00 176.83 177.04 1i1k h SER 667 N -0.26 0.00 -0.15 6.23 0.02 -1.61 -1.33 113.55 116.44 1i1k h SER 667 Ca 0.01 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.90 1i1k h SER 667 Cb 0.46 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.99 1i1k h SER 667 CO 0.01 0.10 -0.15 0.25 -1.14 0.00 0.00 176.83 175.90 1i1k h LEU 668 N 0.00 0.38 -0.20 5.07 7.12 -1.02 -0.50 115.31 126.16 1i1k h LEU 668 Ca -0.00 -0.48 -0.01 0.00 0.13 0.00 0.00 57.88 57.52 1i1k h LEU 668 Cb 0.17 -0.11 -0.01 0.00 -0.53 0.00 0.00 40.66 40.19 1i1k h LEU 668 CO 0.01 0.79 0.08 -0.07 -0.13 0.00 0.00 178.44 179.12 1i1k h LEU 669 N -0.01 0.28 -0.03 2.25 3.38 -0.81 -0.60 115.31 119.76 1i1k h LEU 669 Ca 0.02 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 57.83 1i1k h LEU 669 Cb 0.68 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.35 1i1k h LEU 669 CO 0.04 0.36 0.00 0.58 0.09 0.00 0.00 178.44 179.52 1i1k h VAL 670 N 0.17 1.22 -0.50 1.22 2.07 -1.31 -2.87 116.25 116.25 1i1k h VAL 670 Ca 0.07 -0.65 -0.11 0.00 0.82 0.00 0.00 66.70 66.83 1i1k h VAL 670 Cb 0.17 1.59 -0.02 0.00 -1.52 0.00 0.00 31.29 31.51 1i1k h VAL 670 CO -0.01 0.17 -0.11 1.23 0.02 0.00 0.00 177.57 178.88 1i1k h GLY 671 N -0.20 1.05 1.61 2.17 0.00 -1.09 -3.05 103.07 103.56 1i1k h GLY 671 Ca 0.01 -0.86 -0.10 0.00 0.00 0.00 0.00 47.33 46.38 1i1k h GLY 671 CO 0.00 0.78 -0.30 1.48 0.00 0.00 0.00 176.54 178.50 1i1k h SER 672 N 0.83 0.45 -0.62 0.19 4.64 -1.18 -2.63 113.55 115.23 1i1k h SER 672 Ca 0.13 -0.16 -0.07 0.00 -0.47 0.00 0.00 61.79 61.21 1i1k h SER 672 Cb 0.67 -0.12 -0.02 0.00 -0.31 0.00 0.00 62.40 62.61 1i1k h SER 672 CO 0.05 0.74 0.12 -0.08 -0.87 0.00 0.00 176.83 176.78 1i1k h GLU 673 N 0.39 1.01 -0.45 4.77 4.81 -1.48 -0.92 114.58 122.71 1i1k h GLU 673 Ca 0.05 -0.26 -0.02 0.00 -0.13 0.00 0.00 59.36 59.00 1i1k h GLU 673 Cb 0.72 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.96 1i1k h GLU 673 CO 0.06 0.94 0.20 0.00 -0.73 0.00 0.00 179.01 179.47 1i1k h ALA 674 N 1.03 0.58 -0.03 2.92 0.00 -1.41 -2.76 119.26 119.59 1i1k h ALA 674 Ca 0.19 -0.13 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 1i1k h ALA 674 Cb 0.41 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1i1k h ALA 674 CO 0.01 0.17 -0.49 0.00 0.00 0.00 0.00 179.25 178.94 1i1k h ARG 675 N 0.58 0.08 0.00 0.00 3.08 -1.28 -0.41 114.38 116.44 1i1k h ARG 675 Ca 0.15 -0.04 -0.05 0.00 0.07 0.00 0.00 59.98 60.11 1i1k h ARG 675 Cb 0.16 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.20 1i1k h ARG 675 CO -0.02 0.56 -0.23 -0.09 -1.07 0.00 0.00 179.97 179.12 1i1k h ARG 676 N 0.07 0.00 -0.51 0.04 2.43 -1.00 -2.61 114.38 112.80 1i1k h ARG 676 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1i1k h ARG 676 Cb 0.89 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.44 1i1k h ARG 676 CO 0.07 0.23 0.00 0.72 -1.51 0.00 0.00 179.97 179.48 1i1k n HIS 677 N -3.70 0.67 -0.40 2.20 8.25 -1.01 -4.96 115.22 116.27 1i1k n HIS 677 Ca -0.01 -0.33 0.00 0.00 -0.26 0.00 0.00 57.72 57.11 1i1k n HIS 677 Cb 0.35 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.46 1i1k n HIS 677 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1i1k n GLY 678 N 1.57 0.74 3.96 -1.41 0.00 -0.98 -5.07 105.19 104.00 1i1k n GLY 678 Ca 0.21 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.01 1i1k n GLY 678 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1i1k s TYR 679 N -2.46 3.32 -0.17 1.61 1.51 -0.19 -4.99 117.35 115.97 1i1k s TYR 679 Ca 0.00 0.15 0.18 0.00 -1.01 0.00 0.00 57.07 56.39 1i1k s TYR 679 Cb 0.00 -2.03 -0.03 0.00 -0.11 0.00 0.00 41.96 39.79 1i1k s TYR 679 CO 0.00 -0.04 1.07 1.96 -1.11 0.00 0.00 175.55 177.43 1i1k h GLN 680 N 0.70 0.00 -2.49 -0.62 7.50 -1.32 -3.26 115.11 115.61 1i1k h GLN 680 Ca -0.48 0.00 -0.07 0.00 0.50 0.00 0.00 58.65 58.60 1i1k h GLN 680 Cb 1.24 0.00 -0.18 0.00 0.05 0.00 0.00 27.48 28.59 1i1k h GLN 680 CO 0.58 0.27 0.05 -2.00 -1.50 0.00 0.00 178.83 176.23 1i1k s GLU 681 N -3.04 0.99 0.00 1.46 2.56 -1.21 -4.87 118.70 114.58 1i1k s GLU 681 Ca -0.00 -0.02 0.02 0.00 0.00 0.00 0.00 54.97 54.97 1i1k s GLU 681 Cb 0.08 0.46 -0.04 0.00 2.00 0.00 0.00 34.13 36.63 1i1k s GLU 681 CO 0.78 -0.33 -0.02 0.20 -0.56 0.00 0.00 175.26 175.34 1i1k s GLY 682 N -1.54 1.84 -0.21 -1.50 0.00 -1.26 -2.20 107.32 102.45 1i1k s GLY 682 Ca -0.09 -0.97 -0.04 0.00 0.00 0.00 0.00 44.72 43.61 1i1k s GLY 682 CO 0.04 -0.84 -0.03 -0.42 0.00 0.00 0.00 173.10 171.86 1i1k s ILE 683 N -1.06 3.61 0.03 0.90 1.01 0.36 -1.65 121.20 124.41 1i1k s ILE 683 Ca 0.19 -0.42 -0.06 0.00 0.00 0.00 0.00 60.65 60.36 1i1k s ILE 683 Cb -0.11 -2.64 -0.05 0.00 0.01 0.00 0.00 42.46 39.67 1i1k s ILE 683 CO 0.09 0.42 0.28 0.00 0.00 0.00 0.00 174.94 175.73 1i1k s ALA 684 N 1.26 3.86 0.22 9.38 0.00 0.36 -0.64 121.76 136.19 1i1k s ALA 684 Ca 0.03 -0.60 0.05 0.00 0.00 0.00 0.00 51.96 51.44 1i1k s ALA 684 Cb -0.14 -2.05 -0.03 0.00 0.00 0.00 0.00 23.12 20.89 1i1k s ALA 684 CO -0.00 0.67 0.25 -0.51 0.00 0.00 0.00 175.76 176.17 1i1k s LEU 685 N -1.97 4.05 0.00 0.00 1.43 -1.26 -1.40 118.68 119.53 1i1k s LEU 685 Ca 0.30 -0.06 -0.03 0.00 -1.03 0.00 0.00 54.13 53.31 1i1k s LEU 685 Cb -0.13 -2.61 0.04 0.00 0.03 0.00 0.00 46.19 43.53 1i1k s LEU 685 CO 0.19 -0.02 0.27 -0.90 0.23 0.00 0.00 176.35 176.12 1i1k n ASP 686 N -1.01 0.10 0.16 2.29 5.75 0.49 -1.66 116.55 122.68 1i1k n ASP 686 Ca -0.08 -1.15 0.13 0.00 -0.01 0.00 0.00 54.79 53.68 1i1k n ASP 686 Cb 0.56 -0.20 0.56 0.00 -1.03 0.00 0.00 41.12 41.02 1i1k n ASP 686 CO 0.00 0.00 0.00 -0.37 -0.11 0.00 0.00 177.20 176.72 1i1k h VAL 687 N -0.95 0.00 0.00 2.12 -1.51 -1.88 -2.67 116.25 111.36 1i1k h VAL 687 Ca -0.09 -0.24 0.00 0.00 -1.23 0.00 0.00 66.70 65.14 1i1k h VAL 687 Cb 0.26 0.99 0.00 0.00 -2.13 0.00 0.00 31.29 30.41 1i1k h VAL 687 CO 0.07 0.00 -0.65 0.59 -1.23 0.00 0.00 177.57 176.35 1i1k n ASN 688 N -2.40 0.70 0.00 4.19 3.02 -1.26 -4.95 115.26 114.56 1i1k n ASN 688 Ca 0.01 0.11 0.00 0.00 -0.03 0.00 0.00 54.58 54.67 1i1k n ASN 688 Cb 0.21 0.19 0.00 0.00 -0.61 0.00 0.00 39.78 39.57 1i1k n ASN 688 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1i1k n GLY 689 N 1.33 0.93 3.95 7.41 0.00 -1.01 -5.09 105.19 112.72 1i1k n GLY 689 Ca 0.03 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.81 1i1k n GLY 689 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1i1k s TYR 690 N -2.01 3.48 0.18 1.61 4.12 -1.26 -4.34 117.35 119.13 1i1k s TYR 690 Ca 0.00 0.20 -0.31 0.00 0.02 0.00 0.00 57.07 56.98 1i1k s TYR 690 Cb 0.00 -1.75 -0.09 0.00 -1.52 0.00 0.00 41.96 38.60 1i1k s TYR 690 CO 0.00 0.33 1.43 0.42 0.02 0.00 0.00 175.55 177.75 1i1k s ILE 691 N -2.04 2.94 0.00 2.71 1.01 -0.25 -0.38 121.20 125.19 1i1k s ILE 691 Ca 0.37 0.72 0.00 0.00 0.00 0.00 0.00 60.65 61.74 1i1k s ILE 691 Cb -0.10 -3.46 0.00 0.00 0.01 0.00 0.00 42.46 38.91 1i1k s ILE 691 CO 0.31 0.08 0.00 -0.24 0.00 0.00 0.00 174.94 175.09 1i1k n SER 692 N 3.30 0.00 -3.46 3.58 2.88 -0.50 -4.64 113.62 114.78 1i1k n SER 692 Ca 0.10 0.00 0.03 0.00 -1.33 0.00 0.00 58.87 57.67 1i1k n SER 692 Cb 0.41 -0.38 0.01 0.00 -0.75 0.00 0.00 64.21 63.50 1i1k n SER 692 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 1i1k n GLU 693 N -2.42 0.10 -1.31 -1.46 0.28 -1.14 -4.65 120.64 110.04 1i1k n GLU 693 Ca 0.00 -0.57 -0.25 0.00 -0.16 0.00 0.00 57.16 56.18 1i1k n GLU 693 Cb 0.00 0.99 0.19 0.00 1.43 0.00 0.00 31.44 34.05 1i1k n GLU 693 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1i1k n GLY 694 N -0.80 -1.95 0.24 -1.84 0.00 0.44 -0.49 105.19 100.80 1i1k n GLY 694 Ca 0.05 -1.62 0.01 0.00 0.00 0.00 0.00 46.02 44.45 1i1k n GLY 694 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i1k h ALA 695 N -2.14 0.85 0.00 4.61 0.00 -1.66 -3.32 119.26 117.60 1i1k h ALA 695 Ca -0.35 0.08 -0.13 0.00 0.00 0.00 0.00 54.91 54.51 1i1k h ALA 695 Cb 1.01 0.04 -0.26 0.00 0.00 0.00 0.00 17.79 18.59 1i1k h ALA 695 CO 0.24 -0.17 -0.78 0.41 0.00 0.00 0.00 179.25 178.96 1i1k n GLY 696 N -1.30 0.83 3.27 0.00 0.00 -1.26 -4.48 105.19 102.25 1i1k n GLY 696 Ca 0.10 -0.52 -0.13 0.00 0.00 0.00 0.00 46.02 45.46 1i1k n GLY 696 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1i1k s GLU 697 N 0.00 0.61 0.68 1.61 1.03 -1.25 -4.89 118.70 116.49 1i1k s GLU 697 Ca 0.21 0.09 -0.14 0.00 0.03 0.00 0.00 54.97 55.16 1i1k s GLU 697 Cb 0.24 0.28 0.01 0.00 -0.80 0.00 0.00 34.13 33.86 1i1k s GLU 697 CO -0.10 -0.15 1.10 -0.80 -1.33 0.00 0.00 175.26 173.98 1i1k s ASN 698 N -0.77 5.02 -0.04 0.83 0.01 -0.28 -0.42 114.94 119.29 1i1k s ASN 698 Ca -0.09 1.92 0.05 0.00 -0.71 0.00 0.00 52.86 54.04 1i1k s ASN 698 Cb -0.04 -2.54 -0.02 0.00 0.41 0.00 0.00 41.25 39.06 1i1k s ASN 698 CO 0.03 -1.69 -0.18 -0.22 -1.51 0.00 0.00 177.10 173.53 1i1k s LEU 699 N -5.14 2.50 0.08 0.60 0.20 -1.26 -1.19 118.68 114.47 1i1k s LEU 699 Ca 0.65 -0.30 0.07 0.00 0.69 0.00 0.00 54.13 55.24 1i1k s LEU 699 Cb -0.19 -1.48 -0.03 0.00 -0.43 0.00 0.00 46.19 44.06 1i1k s LEU 699 CO 0.45 0.33 -0.18 -0.36 -0.29 0.00 0.00 176.35 176.30 1i1k s PHE 700 N -0.62 1.59 0.04 5.38 0.40 -0.02 -4.28 117.98 120.47 1i1k s PHE 700 Ca 0.09 -0.41 0.04 0.00 -0.60 0.00 0.00 56.93 56.05 1i1k s PHE 700 Cb -0.11 -0.89 -0.02 0.00 0.51 0.00 0.00 43.02 42.51 1i1k s PHE 700 CO 0.00 0.13 -0.13 -1.21 0.70 0.00 0.00 175.22 174.72 1i1k s GLU 701 N -1.67 0.81 -0.14 0.44 2.02 -0.03 -1.74 118.70 118.39 1i1k s GLU 701 Ca 0.04 -0.77 0.01 0.00 0.02 0.00 0.00 54.97 54.27 1i1k s GLU 701 Cb -0.10 -0.79 0.02 0.00 0.10 0.00 0.00 34.13 33.37 1i1k s GLU 701 CO 0.03 0.19 -0.16 0.08 0.02 0.00 0.00 175.26 175.42 1i1k s VAL 702 N -0.98 1.67 0.00 2.63 1.01 0.34 0.06 120.40 125.12 1i1k s VAL 702 Ca -0.01 -0.71 0.00 0.00 0.00 0.00 0.00 61.98 61.26 1i1k s VAL 702 Cb -0.08 -1.53 0.00 0.00 0.00 0.00 0.00 36.38 34.77 1i1k s VAL 702 CO 0.01 0.47 0.00 1.17 0.00 0.00 0.00 175.10 176.76 1i1k n LYS 703 N 4.49 0.00 -2.58 2.72 0.00 -0.56 -0.45 118.16 121.77 1i1k n LYS 703 Ca -0.18 0.00 -0.42 0.00 0.00 0.00 0.00 58.31 57.70 1i1k n LYS 703 Cb 0.51 0.00 0.01 0.00 0.00 0.00 0.00 35.03 35.54 1i1k n LYS 703 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1i1k n ASP 704 N 0.00 6.11 0.00 3.14 8.00 -1.26 -4.49 116.55 128.06 1i1k n ASP 704 Ca 0.00 -3.28 0.00 0.00 0.71 0.00 0.00 54.79 52.22 1i1k n ASP 704 Cb 0.00 -1.36 0.00 0.00 -0.02 0.00 0.00 41.12 39.74 1i1k n ASP 704 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1i1k n GLY 705 N 1.87 0.51 3.59 0.44 0.00 -1.26 -5.00 105.19 105.33 1i1k n GLY 705 Ca 0.37 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.05 1i1k n GLY 705 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1i1k s VAL 706 N -2.27 3.84 -0.16 1.61 1.01 -1.26 -4.44 120.40 118.73 1i1k s VAL 706 Ca 0.00 -0.42 -0.16 0.00 0.00 0.00 0.00 61.98 61.40 1i1k s VAL 706 Cb 0.00 -2.59 -0.04 0.00 0.00 0.00 0.00 36.38 33.75 1i1k s VAL 706 CO 0.00 0.59 0.38 -0.22 0.00 0.00 0.00 175.10 175.86 1i1k s LEU 707 N -0.72 4.22 0.06 3.92 2.96 -0.15 -1.50 118.68 127.46 1i1k s LEU 707 Ca 0.11 0.60 0.09 0.00 -0.22 0.00 0.00 54.13 54.72 1i1k s LEU 707 Cb -0.11 -2.52 -0.03 0.00 0.50 0.00 0.00 46.19 44.03 1i1k s LEU 707 CO 0.02 0.01 -0.26 -0.36 -1.32 0.00 0.00 176.35 174.44 1i1k s PHE 708 N 0.80 2.24 -0.24 5.38 0.40 0.11 -0.28 117.98 126.39 1i1k s PHE 708 Ca 0.20 -0.40 -0.22 0.00 -0.60 0.00 0.00 56.93 55.91 1i1k s PHE 708 Cb -0.14 -1.33 0.06 0.00 0.51 0.00 0.00 43.02 42.13 1i1k s PHE 708 CO 0.07 0.15 0.65 -0.08 0.70 0.00 0.00 175.22 176.70 1i1k s THR 709 N -0.84 -0.00 0.51 0.64 -1.32 -0.99 -0.85 115.64 112.79 1i1k s THR 709 Ca 0.11 0.00 -0.22 0.00 -1.21 0.00 0.00 61.69 60.37 1i1k s THR 709 Cb -0.10 -0.90 -0.06 0.00 -1.51 0.00 0.00 72.50 69.93 1i1k s THR 709 CO 0.02 0.00 1.29 -2.84 -2.21 0.00 0.00 174.62 170.88 1i1k s PRO 710 N 0.42 3.42 0.90 7.08 0.02 -1.25 -1.60 135.00 143.99 1i1k s PRO 710 Ca -0.01 2.06 -0.13 0.00 0.02 0.00 0.00 61.00 62.94 1i1k s PRO 710 Cb -0.05 -2.34 0.14 0.00 0.02 0.00 0.00 34.50 32.27 1i1k s PRO 710 CO -0.00 -0.91 1.19 -1.25 -0.33 0.00 0.00 177.00 175.69 1i1k s PRO 711 N -2.79 1.18 0.50 5.54 0.04 -1.26 -4.80 135.00 133.40 1i1k s PRO 711 Ca 0.68 0.07 0.20 0.00 0.04 0.00 0.00 61.00 61.99 1i1k s PRO 711 Cb -0.36 -1.86 1.29 0.00 0.04 0.00 0.00 34.50 33.60 1i1k s PRO 711 CO 0.43 -2.13 2.08 0.74 0.04 0.00 0.00 177.00 178.16 1i1k h PHE 712 N -1.44 0.00 0.00 0.56 0.04 -1.96 -2.12 116.94 112.01 1i1k h PHE 712 Ca -0.47 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.30 1i1k h PHE 712 Cb 1.31 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.46 1i1k h PHE 712 CO -0.13 0.11 0.00 0.25 -0.60 0.00 0.00 178.31 177.94 1i1k n THR 713 N -4.11 0.48 -0.87 -1.55 -2.24 -1.26 -1.51 114.28 103.22 1i1k n THR 713 Ca -0.02 0.12 -0.13 0.00 -2.27 0.00 0.00 64.05 61.75 1i1k n THR 713 Cb 0.19 -0.89 0.22 0.00 -2.10 0.00 0.00 70.33 67.75 1i1k n THR 713 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1i1k n SER 714 N -1.22 4.14 -1.92 3.42 7.64 -0.80 -4.86 113.62 120.02 1i1k n SER 714 Ca 0.08 -3.23 -0.18 0.00 1.01 0.00 0.00 58.87 56.55 1i1k n SER 714 Cb 0.10 -0.76 -0.02 0.00 -1.01 0.00 0.00 64.21 62.52 1i1k n SER 714 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1i1k n SER 715 N -0.48 -5.15 -4.69 6.43 7.64 -0.57 -4.35 113.62 112.45 1i1k n SER 715 Ca 0.44 0.05 -0.36 0.00 1.01 0.00 0.00 58.87 60.00 1i1k n SER 715 Cb 1.40 -4.23 -0.08 0.00 -1.01 0.00 0.00 64.21 60.28 1i1k n SER 715 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1i1k s ALA 716 N -2.85 3.62 0.31 -0.43 0.00 -1.05 -4.88 121.76 116.49 1i1k s ALA 716 Ca 0.00 -0.71 -0.29 0.00 0.00 0.00 0.00 51.96 50.96 1i1k s ALA 716 Cb 0.00 -2.35 -0.10 0.00 0.00 0.00 0.00 23.12 20.67 1i1k s ALA 716 CO 0.00 -0.08 1.32 -1.17 0.00 0.00 0.00 175.76 175.83 1i1k s LEU 717 N 0.83 4.42 -1.08 0.00 0.20 -1.26 -4.42 118.68 117.38 1i1k s LEU 717 Ca 0.11 2.66 -0.24 0.00 0.69 0.00 0.00 54.13 57.34 1i1k s LEU 717 Cb -0.13 -3.64 -0.16 0.00 -0.43 0.00 0.00 46.19 41.83 1i1k s LEU 717 CO 0.03 -0.55 1.98 -2.65 -0.29 0.00 0.00 176.35 174.88 1i1k n PRO 718 N 1.12 1.01 -1.83 0.98 -0.02 -1.26 -4.93 135.00 130.08 1i1k n PRO 718 Ca 0.01 -2.11 -0.41 0.00 -2.02 0.00 0.00 63.50 58.97 1i1k n PRO 718 Cb 0.42 -3.71 -0.00 0.00 -0.02 0.00 0.00 33.50 30.18 1i1k n PRO 718 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1i1k s GLY 719 N 7.13 2.86 0.24 -1.23 0.00 -1.26 -4.92 107.32 110.14 1i1k s GLY 719 Ca 0.72 1.55 0.13 0.00 0.00 0.00 0.00 44.72 47.12 1i1k s GLY 719 CO 0.16 2.27 1.41 -2.22 0.00 0.00 0.00 173.10 174.72 1i1k h ILE 720 N 3.03 1.10 0.04 0.90 2.04 -1.97 -1.80 117.51 120.84 1i1k h ILE 720 Ca -0.50 -2.53 -0.27 0.00 1.00 0.00 0.00 64.86 62.57 1i1k h ILE 720 Cb 1.24 2.53 0.02 0.00 -0.74 0.00 0.00 36.82 39.86 1i1k h ILE 720 CO 0.66 0.62 -1.08 0.74 0.00 0.00 0.00 178.15 179.08 1i1k h THR 721 N 0.00 1.33 -0.18 -0.27 2.02 -1.91 -2.12 112.91 111.78 1i1k h THR 721 Ca -0.01 -2.41 0.04 0.00 0.77 0.00 0.00 66.41 64.80 1i1k h THR 721 Cb 1.48 2.51 -0.04 0.00 -1.74 0.00 0.00 68.15 70.36 1i1k h THR 721 CO 0.08 0.73 -0.05 -0.09 0.37 0.00 0.00 175.52 176.56 1i1k h ARG 722 N 0.30 -0.01 -0.76 6.66 2.43 -1.86 -0.34 114.38 120.79 1i1k h ARG 722 Ca -0.13 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.02 1i1k h ARG 722 Cb 1.74 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 31.26 1i1k h ARG 722 CO 0.20 -0.01 0.39 0.22 -1.51 0.00 0.00 179.97 179.27 1i1k h ASP 723 N -0.02 0.97 -0.45 -3.80 3.58 -1.31 -1.93 116.42 113.47 1i1k h ASP 723 Ca 0.09 -0.12 -0.01 0.00 0.42 0.00 0.00 57.03 57.42 1i1k h ASP 723 Cb 0.15 -0.25 -0.02 0.00 1.72 0.00 0.00 39.33 40.93 1i1k h ASP 723 CO -0.19 0.81 0.25 0.00 -2.88 0.00 0.00 179.24 177.23 1i1k h ALA 724 N 1.20 0.57 -0.76 -0.78 0.00 -0.75 -2.09 119.26 116.65 1i1k h ALA 724 Ca 0.27 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 1i1k h ALA 724 Cb 0.07 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 1i1k h ALA 724 CO -0.04 0.08 0.39 0.82 0.00 0.00 0.00 179.25 180.50 1i1k h ILE 725 N 0.59 1.24 -0.80 0.00 2.04 -0.86 -0.27 117.51 119.45 1i1k h ILE 725 Ca 0.16 -0.63 -0.04 0.00 1.00 0.00 0.00 64.86 65.35 1i1k h ILE 725 Cb 0.03 0.26 -0.04 0.00 -0.74 0.00 0.00 36.82 36.34 1i1k h ILE 725 CO -0.03 0.27 0.36 0.40 0.00 0.00 0.00 178.15 179.15 1i1k h ILE 726 N 1.06 1.25 -0.16 -0.67 2.04 -1.04 0.59 117.51 120.58 1i1k h ILE 726 Ca 0.26 -0.75 -0.21 0.00 1.00 0.00 0.00 64.86 65.17 1i1k h ILE 726 Cb 0.08 0.26 0.00 0.00 -0.74 0.00 0.00 36.82 36.42 1i1k h ILE 726 CO -0.04 0.31 -0.72 0.11 0.00 0.00 0.00 178.15 177.81 1i1k h LYS 727 N 1.14 0.72 -0.51 2.37 1.57 -1.01 -2.64 116.57 118.21 1i1k h LYS 727 Ca 0.27 -0.56 -0.11 0.00 -1.87 0.00 0.00 60.65 58.38 1i1k h LYS 727 Cb 0.15 0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.55 1i1k h LYS 727 CO -0.03 1.17 -0.13 -0.07 -0.57 0.00 0.00 179.45 179.83 1i1k h LEU 728 N 0.50 0.96 -0.78 2.94 3.38 -0.80 -2.46 115.31 119.05 1i1k h LEU 728 Ca -0.03 -0.32 -0.01 0.00 0.09 0.00 0.00 57.88 57.60 1i1k h LEU 728 Cb 1.33 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.78 1i1k h LEU 728 CO 0.14 1.09 0.44 0.00 0.09 0.00 0.00 178.44 180.20 1i1k h ALA 729 N 0.99 1.00 -0.26 1.53 0.00 -0.85 -1.37 119.26 120.31 1i1k h ALA 729 Ca 0.13 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 1i1k h ALA 729 Cb 0.68 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1i1k h ALA 729 CO 0.05 0.50 -0.21 0.87 0.00 0.00 0.00 179.25 180.46 1i1k h LYS 730 N 1.08 0.47 -0.32 0.00 1.57 -1.31 0.37 116.57 118.43 1i1k h LYS 730 Ca 0.28 -0.16 -0.08 0.00 -1.87 0.00 0.00 60.65 58.81 1i1k h LYS 730 Cb 0.02 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.28 1i1k h LYS 730 CO -0.05 0.66 -0.14 0.93 -0.57 0.00 0.00 179.45 180.28 1i1k h GLU 731 N 0.43 0.57 -0.00 3.15 4.39 -0.90 -2.21 114.58 120.01 1i1k h GLU 731 Ca 0.07 -0.18 0.00 0.00 0.34 0.00 0.00 59.36 59.59 1i1k h GLU 731 Cb 0.61 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.20 1i1k h GLU 731 CO 0.04 0.70 -0.01 1.28 -1.16 0.00 0.00 179.01 179.86 1i1k n LEU 732 N -4.18 0.07 0.00 1.33 4.77 -0.58 -4.90 117.00 113.51 1i1k n LEU 732 Ca 0.01 0.11 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 1i1k n LEU 732 Cb 0.35 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 1i1k n LEU 732 CO 0.41 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 1i1k n GLY 733 N 1.14 0.45 3.75 -0.72 0.00 -0.83 -5.04 105.19 103.94 1i1k n GLY 733 Ca 0.19 -0.90 -0.38 0.00 0.00 0.00 0.00 46.02 44.94 1i1k n GLY 733 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1i1k s ILE 734 N -2.00 5.16 0.10 -0.61 1.01 0.07 -5.01 121.20 119.92 1i1k s ILE 734 Ca 0.00 0.89 -0.31 0.00 0.00 0.00 0.00 60.65 61.24 1i1k s ILE 734 Cb 0.00 -3.78 -0.07 0.00 0.01 0.00 0.00 42.46 38.63 1i1k s ILE 734 CO 0.00 0.39 1.23 -0.70 0.00 0.00 0.00 174.94 175.86 1i1k s GLU 735 N 0.23 4.43 -0.14 2.79 2.12 -1.26 -4.08 118.70 122.79 1i1k s GLU 735 Ca 0.24 1.85 0.01 0.00 0.36 0.00 0.00 54.97 57.43 1i1k s GLU 735 Cb -0.15 -3.30 -0.00 0.00 0.26 0.00 0.00 34.13 30.93 1i1k s GLU 735 CO 0.10 -0.24 -0.16 0.08 -0.54 0.00 0.00 175.26 174.50 1i1k s VAL 736 N 0.75 2.67 -0.23 3.70 1.01 -1.26 -0.98 120.40 126.06 1i1k s VAL 736 Ca 0.58 -0.78 0.02 0.00 0.00 0.00 0.00 61.98 61.80 1i1k s VAL 736 Cb -0.32 -2.11 0.05 0.00 0.00 0.00 0.00 36.38 34.00 1i1k s VAL 736 CO 0.31 0.52 -0.13 -0.13 0.00 0.00 0.00 175.10 175.67 1i1k s ARG 737 N 0.61 2.42 -0.56 2.72 0.52 0.61 -4.98 118.95 120.30 1i1k s ARG 737 Ca -0.09 -1.14 -0.20 0.00 -0.52 0.00 0.00 55.73 53.78 1i1k s ARG 737 Cb -0.16 -2.74 0.07 0.00 0.52 0.00 0.00 34.95 32.64 1i1k s ARG 737 CO 0.03 -0.45 0.74 -2.00 0.02 0.00 0.00 175.30 173.63 1i1k s GLU 738 N 1.19 3.13 0.13 3.54 2.12 -1.26 -2.34 118.70 125.21 1i1k s GLU 738 Ca -0.04 -0.92 -0.15 0.00 0.36 0.00 0.00 54.97 54.22 1i1k s GLU 738 Cb -0.18 -4.16 0.03 0.00 0.26 0.00 0.00 34.13 30.08 1i1k s GLU 738 CO -0.08 -1.43 0.38 1.14 -0.54 0.00 0.00 175.26 174.73 1i1k s GLN 739 N 3.02 1.08 0.27 4.30 -2.07 -0.63 -4.79 119.66 120.85 1i1k s GLN 739 Ca 0.17 -0.80 -0.30 0.00 -1.82 0.00 0.00 55.36 52.62 1i1k s GLN 739 Cb -0.19 0.45 -0.10 0.00 -1.09 0.00 0.00 33.01 32.07 1i1k s GLN 739 CO 0.11 -0.42 1.45 0.08 -1.32 0.00 0.00 175.29 175.20 1i1k s VAL 740 N -3.83 2.55 -0.04 3.63 1.01 -1.26 -3.76 120.40 118.70 1i1k s VAL 740 Ca 0.05 0.47 0.07 0.00 0.00 0.00 0.00 61.98 62.57 1i1k s VAL 740 Cb 0.02 -3.30 -0.02 0.00 0.00 0.00 0.00 36.38 33.08 1i1k s VAL 740 CO -0.10 0.08 -0.24 -0.76 0.00 0.00 0.00 175.10 174.08 1i1k s LEU 741 N -0.60 2.15 0.67 3.92 1.43 -1.26 -5.03 118.68 119.96 1i1k s LEU 741 Ca 0.59 -0.45 -0.11 0.00 -1.03 0.00 0.00 54.13 53.13 1i1k s LEU 741 Cb -0.43 -1.38 0.00 0.00 0.03 0.00 0.00 46.19 44.41 1i1k s LEU 741 CO 0.46 0.30 1.06 -0.94 0.23 0.00 0.00 176.35 177.46 1i1k s SER 742 N -0.46 5.66 0.18 2.29 1.04 -1.26 -1.09 113.70 120.06 1i1k s SER 742 Ca 0.05 1.17 -0.10 0.00 0.48 0.00 0.00 55.95 57.55 1i1k s SER 742 Cb -0.11 -2.05 0.07 0.00 0.10 0.00 0.00 66.02 64.03 1i1k s SER 742 CO 0.01 -1.20 1.67 -0.09 0.98 0.00 0.00 173.24 174.61 1i1k h ARG 743 N -0.53 1.05 -0.19 4.02 2.43 -1.94 -2.91 114.38 116.31 1i1k h ARG 743 Ca -0.45 -0.29 0.06 0.00 -0.81 0.00 0.00 59.98 58.49 1i1k h ARG 743 Cb 1.24 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.66 1i1k h ARG 743 CO 0.63 0.98 0.14 0.93 -1.51 0.00 0.00 179.97 181.15 1i1k h GLU 744 N 0.95 0.00 -0.26 0.20 3.07 -1.95 -2.35 114.58 114.24 1i1k h GLU 744 Ca 0.19 0.00 0.08 0.00 -0.50 0.00 0.00 59.36 59.12 1i1k h GLU 744 Cb 0.46 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.36 1i1k h GLU 744 CO 0.02 0.00 0.27 0.66 -1.40 0.00 0.00 179.01 178.55 1i1k h SER 745 N 0.00 0.00 0.34 1.42 4.64 -1.90 -0.06 113.55 117.98 1i1k h SER 745 Ca 0.09 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.34 1i1k h SER 745 Cb 0.37 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.45 1i1k h SER 745 CO -0.00 0.00 -0.35 -0.07 -0.87 0.00 0.00 176.83 175.54 1i1k h LEU 746 N 0.00 0.02 0.00 5.97 3.38 -1.60 -0.52 115.31 122.55 1i1k h LEU 746 Ca 0.12 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1i1k h LEU 746 Cb 0.66 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.40 1i1k h LEU 746 CO -0.00 0.36 -0.67 1.88 0.09 0.00 0.00 178.44 180.10 1i1k h TYR 747 N 0.01 0.00 0.00 1.13 0.99 -1.20 -3.34 116.97 114.56 1i1k h TYR 747 Ca -0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1i1k h TYR 747 Cb 0.62 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.35 1i1k h TYR 747 CO 0.00 0.00 -1.51 1.28 -0.00 0.00 0.00 178.16 177.93 1i1k n LEU 748 N -2.61 0.47 -4.76 3.88 4.77 -1.05 -4.95 117.00 112.75 1i1k n LEU 748 Ca 0.02 -0.22 -0.36 0.00 -0.03 0.00 0.00 56.01 55.42 1i1k n LEU 748 Cb 0.51 -0.01 0.02 0.00 -2.33 0.00 0.00 43.42 41.62 1i1k n LEU 748 CO 0.38 0.11 0.82 0.00 -1.33 0.00 0.00 177.39 177.37 1i1k s ALA 749 N -3.28 2.66 0.08 -1.18 0.00 -0.23 -4.96 121.76 114.86 1i1k s ALA 749 Ca -0.00 0.93 0.08 0.00 0.00 0.00 0.00 51.96 52.97 1i1k s ALA 749 Cb 0.15 -3.41 -0.20 0.00 0.00 0.00 0.00 23.12 19.66 1i1k s ALA 749 CO 0.89 -0.95 1.22 -0.44 0.00 0.00 0.00 175.76 176.47 1i1k h ASP 750 N 1.14 0.00 -5.03 0.00 3.32 -0.99 -3.37 116.42 111.48 1i1k h ASP 750 Ca -0.50 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.45 1i1k h ASP 750 Cb 1.28 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 40.65 1i1k h ASP 750 CO 0.56 0.97 -0.27 -1.61 -1.72 0.00 0.00 179.24 177.17 1i1k s GLU 751 N -2.71 0.75 -0.16 3.56 2.02 -0.91 -4.16 118.70 117.09 1i1k s GLU 751 Ca 0.01 -0.42 -0.11 0.00 0.02 0.00 0.00 54.97 54.47 1i1k s GLU 751 Cb 0.10 0.33 0.05 0.00 0.10 0.00 0.00 34.13 34.70 1i1k s GLU 751 CO 0.82 -0.23 0.41 0.54 0.02 0.00 0.00 175.26 176.81 1i1k s VAL 752 N -2.16 -0.01 0.09 2.63 0.11 -1.26 -0.51 120.40 119.29 1i1k s VAL 752 Ca -0.08 0.05 -0.10 0.00 -2.93 0.00 0.00 61.98 58.92 1i1k s VAL 752 Cb -0.02 -0.59 0.00 0.00 -1.53 0.00 0.00 36.38 34.25 1i1k s VAL 752 CO -0.01 0.02 0.22 0.72 -3.33 0.00 0.00 175.10 172.73 1i1k s PHE 753 N 0.83 0.09 0.20 1.54 -0.71 -0.71 -0.62 117.98 118.60 1i1k s PHE 753 Ca -0.05 -0.48 0.06 0.00 -1.04 0.00 0.00 56.93 55.42 1i1k s PHE 753 Cb -0.06 -0.01 -0.04 0.00 -1.21 0.00 0.00 43.02 41.71 1i1k s PHE 753 CO -0.06 -0.56 0.11 -1.64 -1.34 0.00 0.00 175.22 171.72 1i1k s MET 754 N -3.76 2.74 -0.00 1.99 -1.94 0.39 -0.85 119.30 117.87 1i1k s MET 754 Ca 0.04 -1.02 0.01 0.00 -1.71 0.00 0.00 55.69 53.00 1i1k s MET 754 Cb 0.04 -2.52 -0.00 0.00 2.01 0.00 0.00 34.83 34.36 1i1k s MET 754 CO -0.11 0.44 -0.02 -1.54 -0.01 0.00 0.00 175.02 173.79 1i1k s SER 755 N -3.32 0.23 -0.15 3.03 1.04 -0.33 -1.25 113.70 112.95 1i1k s SER 755 Ca 0.31 -0.04 -0.34 0.00 0.48 0.00 0.00 55.95 56.36 1i1k s SER 755 Cb -0.09 -0.02 0.13 0.00 0.10 0.00 0.00 66.02 66.14 1i1k s SER 755 CO 0.22 0.02 1.23 -0.83 0.98 0.00 0.00 173.24 174.87 1i1k s GLY 756 N -0.06 -0.32 0.12 7.32 0.00 -0.95 -1.12 107.32 112.31 1i1k s GLY 756 Ca 0.01 1.39 -0.19 0.00 0.00 0.00 0.00 44.72 45.93 1i1k s GLY 756 CO -0.00 0.44 1.78 -0.84 0.00 0.00 0.00 173.10 174.48 1i1k h THR 757 N 2.00 1.05 -0.08 0.90 2.02 -1.89 1.15 112.91 118.05 1i1k h THR 757 Ca -0.14 -0.10 -0.17 0.00 0.77 0.00 0.00 66.41 66.78 1i1k h THR 757 Cb 1.17 0.74 0.01 0.00 -1.74 0.00 0.00 68.15 68.33 1i1k h THR 757 CO 0.24 0.05 -0.60 0.00 0.37 0.00 0.00 175.52 175.59 1i1k h ALA 758 N 1.08 0.18 0.00 6.16 0.00 -1.96 -3.29 119.26 121.43 1i1k h ALA 758 Ca 0.08 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1i1k h ALA 758 Cb -0.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1i1k h ALA 758 CO -0.02 0.44 -0.17 0.00 0.00 0.00 0.00 179.25 179.50 1i1k h ALA 759 N 0.45 0.90 -0.76 0.00 0.00 -1.92 -3.49 119.26 114.45 1i1k h ALA 759 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1i1k h ALA 759 Cb 1.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1i1k h ALA 759 CO 0.12 0.00 0.00 0.39 0.00 0.00 0.00 179.25 179.76 1i1k n GLU 760 N -2.55 0.00 -3.89 0.00 1.02 0.39 -3.70 120.64 111.92 1i1k n GLU 760 Ca 0.04 0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 56.88 1i1k n GLU 760 Cb 0.47 0.00 -0.15 0.00 -0.02 0.00 0.00 31.44 31.75 1i1k n GLU 760 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1i1k s ILE 761 N 0.00 1.70 -0.32 -3.67 1.01 -1.26 -2.25 121.20 116.41 1i1k s ILE 761 Ca 0.00 -2.06 -0.08 0.00 0.00 0.00 0.00 60.65 58.50 1i1k s ILE 761 Cb 0.00 -2.26 0.01 0.00 0.01 0.00 0.00 42.46 40.22 1i1k s ILE 761 CO 0.00 -0.66 0.13 -0.89 0.00 0.00 0.00 174.94 173.52 1i1k s THR 762 N 1.06 4.28 0.43 2.92 2.01 -0.38 -4.83 115.64 121.12 1i1k s THR 762 Ca 0.11 -0.67 -0.24 0.00 0.31 0.00 0.00 61.69 61.20 1i1k s THR 762 Cb -0.19 -3.25 -0.08 0.00 0.01 0.00 0.00 72.50 68.99 1i1k s THR 762 CO -0.13 -0.01 1.15 -2.16 -0.69 0.00 0.00 174.62 172.78 1i1k s PRO 763 N 1.54 3.94 -0.26 4.92 0.04 -1.26 -0.46 135.00 143.45 1i1k s PRO 763 Ca 0.03 1.77 -0.04 0.00 0.04 0.00 0.00 61.00 62.80 1i1k s PRO 763 Cb -0.18 -2.54 0.02 0.00 0.04 0.00 0.00 34.50 31.84 1i1k s PRO 763 CO 0.05 -0.40 -0.01 0.08 0.04 0.00 0.00 177.00 176.76 1i1k s VAL 764 N -1.50 3.33 -0.81 -0.36 1.01 0.21 -1.08 120.40 121.21 1i1k s VAL 764 Ca 0.60 -0.84 0.25 0.00 0.00 0.00 0.00 61.98 61.99 1i1k s VAL 764 Cb -0.29 -2.68 0.09 0.00 0.00 0.00 0.00 36.38 33.50 1i1k s VAL 764 CO 0.36 0.18 1.49 -2.11 0.00 0.00 0.00 175.10 175.01 1i1k n ARG 765 N 4.75 0.16 -3.57 2.72 1.85 -0.23 -4.33 116.66 118.02 1i1k n ARG 765 Ca -0.16 0.06 -0.14 0.00 -1.00 0.00 0.00 57.85 56.62 1i1k n ARG 765 Cb 0.48 -1.62 -0.06 0.00 -1.05 0.00 0.00 32.46 30.21 1i1k n ARG 765 CO 0.00 0.00 0.00 -1.54 -0.01 0.00 0.00 177.63 176.08 1i1k s SER 766 N -3.73 -0.53 -0.10 2.89 1.04 -1.24 -0.98 113.70 111.06 1i1k s SER 766 Ca 0.09 0.69 0.00 0.00 0.48 0.00 0.00 55.95 57.21 1i1k s SER 766 Cb 0.15 0.58 0.02 0.00 0.10 0.00 0.00 66.02 66.87 1i1k s SER 766 CO 0.67 -0.42 -0.09 -0.69 0.98 0.00 0.00 173.24 173.70 1i1k s VAL 767 N -0.84 1.04 -1.60 5.02 1.01 -0.11 -1.01 120.40 123.91 1i1k s VAL 767 Ca -0.05 -0.34 -0.03 0.00 0.00 0.00 0.00 61.98 61.56 1i1k s VAL 767 Cb -0.01 -1.03 0.01 0.00 0.00 0.00 0.00 36.38 35.35 1i1k s VAL 767 CO 0.04 0.36 0.34 0.47 0.00 0.00 0.00 175.10 176.31 1i1k n ASP 768 N 4.57 -5.79 0.00 3.32 8.00 0.12 -1.14 116.55 125.63 1i1k n ASP 768 Ca -0.16 -0.16 0.00 0.00 0.71 0.00 0.00 54.79 55.18 1i1k n ASP 768 Cb 0.51 -4.74 0.00 0.00 -0.02 0.00 0.00 41.12 36.86 1i1k n ASP 768 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1i1k n GLY 769 N -1.27 1.50 3.61 0.44 0.00 -1.26 -5.01 105.19 103.20 1i1k n GLY 769 Ca -0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.47 1i1k n GLY 769 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1i1k s ILE 770 N -3.23 5.20 0.35 -0.61 1.01 -0.29 -5.05 121.20 118.57 1i1k s ILE 770 Ca 0.00 0.52 -0.28 0.00 0.00 0.00 0.00 60.65 60.89 1i1k s ILE 770 Cb 0.00 -3.67 -0.11 0.00 0.01 0.00 0.00 42.46 38.69 1i1k s ILE 770 CO 0.00 0.19 1.38 -1.58 0.00 0.00 0.00 174.94 174.93 1i1k s GLN 771 N 1.88 4.25 -0.52 2.79 0.74 -1.26 -0.94 119.66 126.61 1i1k s GLN 771 Ca 0.14 2.36 -0.17 0.00 0.05 0.00 0.00 55.36 57.75 1i1k s GLN 771 Cb -0.16 -3.03 0.09 0.00 1.10 0.00 0.00 33.01 31.02 1i1k s GLN 771 CO 0.09 -0.34 0.51 0.08 -0.55 0.00 0.00 175.29 175.09 1i1k s VAL 772 N -1.09 5.11 -0.08 1.34 1.01 -0.15 -4.83 120.40 121.72 1i1k s VAL 772 Ca 0.51 -1.11 -0.07 0.00 0.00 0.00 0.00 61.98 61.31 1i1k s VAL 772 Cb -0.43 -4.27 0.01 0.00 0.00 0.00 0.00 36.38 31.69 1i1k s VAL 772 CO 0.57 -0.78 0.11 0.61 0.00 0.00 0.00 175.10 175.60 1i1k n GLY 773 N 5.23 0.03 2.43 4.51 0.00 -1.26 -2.25 105.19 113.88 1i1k n GLY 773 Ca -0.12 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1i1k n GLY 773 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1i1k n GLU 774 N 0.50 0.00 -2.13 1.61 -0.58 -1.26 -4.44 120.64 114.34 1i1k n GLU 774 Ca -0.02 0.00 -0.18 0.00 -0.42 0.00 0.00 57.16 56.54 1i1k n GLU 774 Cb 0.26 -1.21 -0.03 0.00 -0.57 0.00 0.00 31.44 29.89 1i1k n GLU 774 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1i1k n GLY 775 N -2.00 0.19 3.21 0.62 0.00 -0.95 -4.99 105.19 101.26 1i1k n GLY 775 Ca 0.00 -0.12 -0.12 0.00 0.00 0.00 0.00 46.02 45.78 1i1k n GLY 775 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1i1k s ARG 776 N -4.56 1.21 0.09 1.61 0.52 -1.26 -4.87 118.95 111.70 1i1k s ARG 776 Ca 0.00 -1.64 -0.32 0.00 -0.52 0.00 0.00 55.73 53.25 1i1k s ARG 776 Cb 0.00 0.25 -0.12 0.00 0.52 0.00 0.00 34.95 35.60 1i1k s ARG 776 CO 0.00 -0.39 1.79 0.00 0.02 0.00 0.00 175.30 176.72 1i1k s GLY 778 N 2.53 1.59 0.10 0.00 0.00 -1.26 -4.90 107.32 105.39 1i1k s GLY 778 Ca 0.83 -0.55 -0.22 0.00 0.00 0.00 0.00 44.72 44.78 1i1k s GLY 778 CO 0.40 -0.04 1.73 -2.55 0.00 0.00 0.00 173.10 172.64 1i1k h PRO 779 N -1.23 -0.03 -0.36 2.90 0.11 -1.96 -1.45 132.00 129.99 1i1k h PRO 779 Ca -0.48 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.50 1i1k h PRO 779 Cb 1.32 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.43 1i1k h PRO 779 CO 0.64 -0.02 -0.30 0.28 -0.21 0.00 0.00 178.00 178.39 1i1k h VAL 780 N -0.03 1.28 -0.76 3.15 2.07 -2.00 -2.08 116.25 117.88 1i1k h VAL 780 Ca 0.03 -1.44 -0.04 0.00 0.82 0.00 0.00 66.70 66.07 1i1k h VAL 780 Cb 0.07 1.32 -0.03 0.00 -1.52 0.00 0.00 31.29 31.12 1i1k h VAL 780 CO -0.06 0.47 0.32 0.74 0.02 0.00 0.00 177.57 179.06 1i1k h THR 781 N 0.65 1.25 0.10 2.57 2.02 -1.92 -2.15 112.91 115.43 1i1k h THR 781 Ca 0.08 -0.78 -0.01 0.00 0.77 0.00 0.00 66.41 66.47 1i1k h THR 781 Cb 0.82 0.34 0.00 0.00 -1.74 0.00 0.00 68.15 67.58 1i1k h THR 781 CO 0.07 0.32 -0.05 0.50 0.37 0.00 0.00 175.52 176.73 1i1k h LYS 782 N 1.10 -0.13 -0.61 6.66 1.63 -1.08 -0.77 116.57 123.35 1i1k h LYS 782 Ca 0.26 0.01 0.07 0.00 -0.85 0.00 0.00 60.65 60.13 1i1k h LYS 782 Cb 0.20 0.03 -0.06 0.00 -0.60 0.00 0.00 32.23 31.80 1i1k h LYS 782 CO -0.02 -0.05 0.31 0.00 -3.45 0.00 0.00 179.45 176.23 1i1k h ARG 783 N -0.19 0.55 -0.33 1.90 3.08 -1.16 -0.79 114.38 117.44 1i1k h ARG 783 Ca -0.01 -0.03 -0.10 0.00 0.07 0.00 0.00 59.98 59.90 1i1k h ARG 783 Cb 0.15 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 1i1k h ARG 783 CO 0.02 0.36 -0.22 0.82 -1.07 0.00 0.00 179.97 179.88 1i1k h ILE 784 N 0.56 1.27 -0.39 2.04 2.04 -1.23 -1.79 117.51 120.02 1i1k h ILE 784 Ca 0.28 -1.28 -0.05 0.00 1.00 0.00 0.00 64.86 64.81 1i1k h ILE 784 Cb 0.23 1.26 -0.01 0.00 -0.74 0.00 0.00 36.82 37.56 1i1k h ILE 784 CO -0.21 0.42 0.04 1.56 0.00 0.00 0.00 178.15 179.96 1i1k h GLN 785 N 0.55 0.66 -0.43 2.37 4.20 -0.42 -0.42 115.11 121.62 1i1k h GLN 785 Ca 0.08 -0.19 -0.01 0.00 0.06 0.00 0.00 58.65 58.60 1i1k h GLN 785 Cb 0.68 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.37 1i1k h GLN 785 CO 0.05 0.73 0.25 1.96 -0.67 0.00 0.00 178.83 181.15 1i1k h GLN 786 N 0.49 0.60 -0.51 1.46 4.20 -1.06 0.02 115.11 120.31 1i1k h GLN 786 Ca 0.11 -0.06 -0.07 0.00 0.06 0.00 0.00 58.65 58.70 1i1k h GLN 786 Cb 0.41 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.04 1i1k h GLN 786 CO 0.01 0.46 0.05 0.00 -0.67 0.00 0.00 178.83 178.68 1i1k h ALA 787 N 1.10 1.13 0.23 3.87 0.00 -1.19 0.64 119.26 125.04 1i1k h ALA 787 Ca 0.15 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1i1k h ALA 787 Cb 0.03 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.61 1i1k h ALA 787 CO -0.03 0.57 -0.11 0.35 0.00 0.00 0.00 179.25 180.03 1i1k h PHE 788 N 0.77 -0.28 0.00 0.00 3.57 -0.60 -3.09 116.94 117.31 1i1k h PHE 788 Ca 0.16 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.65 1i1k h PHE 788 Cb 0.40 0.09 0.00 0.00 2.79 0.00 0.00 35.95 39.23 1i1k h PHE 788 CO 0.02 0.07 0.00 0.74 -2.23 0.00 0.00 178.31 176.91 1i1k h PHE 789 N -0.69 0.00 0.00 0.41 0.04 -0.99 -2.80 116.94 112.91 1i1k h PHE 789 Ca -0.03 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.73 1i1k h PHE 789 Cb 0.48 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.63 1i1k h PHE 789 CO 0.04 0.00 -0.02 0.78 -0.60 0.00 0.00 178.31 178.50 1i1k h GLY 790 N 2.39 0.00 1.96 -1.45 0.00 -0.78 -2.42 103.07 102.78 1i1k h GLY 790 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 1i1k h GLY 790 CO 0.00 0.00 -0.12 1.41 0.00 0.00 0.00 176.54 177.83 1i1k h LEU 791 N 0.00 0.04 -0.74 3.11 3.38 -1.53 -1.66 115.31 117.91 1i1k h LEU 791 Ca -0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1i1k h LEU 791 Cb 0.31 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.05 1i1k h LEU 791 CO 0.00 0.17 -0.18 0.49 0.09 0.00 0.00 178.44 179.02 1i1k n PHE 792 N -4.37 0.00 0.30 1.13 3.01 -0.91 -3.80 117.46 112.83 1i1k n PHE 792 Ca -0.02 0.00 0.03 0.00 1.01 0.00 0.00 57.45 58.47 1i1k n PHE 792 Cb 0.21 -0.07 -0.04 0.00 -0.01 0.00 0.00 39.48 39.57 1i1k n PHE 792 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 1i1k n THR 793 N -0.26 0.00 0.00 4.37 -2.24 -1.00 -1.92 114.28 113.24 1i1k n THR 793 Ca 0.14 -0.34 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 1i1k n THR 793 Cb 0.37 0.98 0.00 0.00 -2.10 0.00 0.00 70.33 69.58 1i1k n THR 793 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1i1k n GLY 794 N 1.18 1.37 0.36 3.38 0.00 -0.71 -4.82 105.19 105.95 1i1k n GLY 794 Ca 0.01 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.01 1i1k n GLY 794 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1i1k h GLU 795 N 3.19 1.16 -4.90 1.61 5.08 -1.69 -3.39 114.58 115.64 1i1k h GLU 795 Ca 0.00 -0.11 -0.65 0.00 -1.00 0.00 0.00 59.36 57.60 1i1k h GLU 795 Cb 0.00 -0.24 -0.19 0.00 0.50 0.00 0.00 28.75 28.82 1i1k h GLU 795 CO 0.00 0.83 -0.55 0.99 -1.00 0.00 0.00 179.01 179.28 1i1k s THR 796 N -5.83 5.00 0.18 1.13 2.01 -0.71 -4.98 115.64 112.43 1i1k s THR 796 Ca -0.12 0.02 -0.31 0.00 0.31 0.00 0.00 61.69 61.60 1i1k s THR 796 Cb 0.17 -3.39 -0.09 0.00 0.01 0.00 0.00 72.50 69.20 1i1k s THR 796 CO 0.81 0.25 1.40 -0.70 -0.69 0.00 0.00 174.62 175.69 1i1k s GLU 797 N 1.71 4.32 -1.25 4.92 2.12 -1.26 -4.30 118.70 124.96 1i1k s GLU 797 Ca 0.07 2.16 -0.18 0.00 0.36 0.00 0.00 54.97 57.38 1i1k s GLU 797 Cb -0.16 -3.19 0.09 0.00 0.26 0.00 0.00 34.13 31.13 1i1k s GLU 797 CO 0.09 -0.40 1.64 0.34 -0.54 0.00 0.00 175.26 176.39 1i1k s ASP 798 N 0.71 6.85 0.52 -1.70 2.15 -1.26 -4.78 116.67 119.15 1i1k s ASP 798 Ca 0.62 -2.45 0.31 0.00 0.43 0.00 0.00 52.55 51.46 1i1k s ASP 798 Cb -0.39 -2.54 1.10 0.00 -0.30 0.00 0.00 42.92 40.79 1i1k s ASP 798 CO 0.36 -1.12 1.89 0.11 -0.17 0.00 0.00 175.17 176.23 1i1k h LYS 799 N 7.74 0.00 0.00 4.34 1.57 -2.03 -3.27 116.57 124.91 1i1k h LYS 799 Ca 0.39 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.17 1i1k h LYS 799 Cb 0.89 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.20 1i1k h LYS 799 CO 1.41 0.00 -1.09 0.91 -0.57 0.00 0.00 179.45 180.11 1i1k n TRP 800 N -3.10 0.00 -2.18 -1.35 8.01 -1.26 -4.99 117.44 112.57 1i1k n TRP 800 Ca 0.01 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.20 1i1k n TRP 800 Cb 0.36 -0.08 0.00 0.00 -2.01 0.00 0.00 31.31 29.59 1i1k n TRP 800 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1i1k n GLY 801 N 1.44 0.86 0.16 6.99 0.00 -1.24 -4.98 105.19 108.43 1i1k n GLY 801 Ca 0.02 -0.58 0.12 0.00 0.00 0.00 0.00 46.02 45.59 1i1k n GLY 801 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 1i1k h TRP 802 N 0.00 0.00 -3.60 1.61 6.55 -1.94 -3.44 115.95 115.13 1i1k h TRP 802 Ca 0.00 0.00 -0.68 0.00 0.95 0.00 0.00 58.89 59.16 1i1k h TRP 802 Cb 0.91 0.00 -0.18 0.00 -0.86 0.00 0.00 29.16 29.03 1i1k h TRP 802 CO 0.00 0.00 -0.22 -0.51 -1.05 0.00 0.00 178.44 176.66 1i1k s LEU 803 N -5.45 4.65 -0.31 -4.49 1.43 -1.26 -0.30 118.68 112.94 1i1k s LEU 803 Ca 0.07 -0.44 -0.10 0.00 -1.03 0.00 0.00 54.13 52.63 1i1k s LEU 803 Cb 0.08 -2.39 -0.01 0.00 0.03 0.00 0.00 46.19 43.91 1i1k s LEU 803 CO 0.66 -0.48 0.17 -0.62 0.23 0.00 0.00 176.35 176.32 1i1k s ASP 804 N 1.78 5.67 0.25 2.29 2.15 -0.96 -4.94 116.67 122.90 1i1k s ASP 804 Ca 0.13 -0.48 -0.30 0.00 0.43 0.00 0.00 52.55 52.33 1i1k s ASP 804 Cb -0.17 -2.03 -0.09 0.00 -0.30 0.00 0.00 42.92 40.33 1i1k s ASP 804 CO 0.13 -0.19 1.32 -1.10 -0.17 0.00 0.00 175.17 175.15 1i1k s GLN 805 N 1.64 4.38 0.14 4.34 -0.21 -1.26 -0.61 119.66 128.07 1i1k s GLN 805 Ca 0.05 2.12 -0.11 0.00 0.02 0.00 0.00 55.36 57.44 1i1k s GLN 805 Cb -0.17 -3.15 -0.06 0.00 1.00 0.00 0.00 33.01 30.63 1i1k s GLN 805 CO 0.07 -0.23 1.46 0.28 -2.12 0.00 0.00 175.29 174.74 1i1k h VAL 806 N 3.49 1.27 -1.47 1.09 2.07 -1.84 -3.39 116.25 117.47 1i1k h VAL 806 Ca -0.46 -1.59 -0.57 0.00 0.82 0.00 0.00 66.70 64.89 1i1k h VAL 806 Cb 1.22 1.45 -0.09 0.00 -1.52 0.00 0.00 31.29 32.34 1i1k h VAL 806 CO 0.74 0.53 1.35 0.20 0.02 0.00 0.00 177.57 180.40 1i1k s ASN 807 N -6.85 6.35 0.00 0.57 0.02 -1.26 -4.94 114.94 108.82 1i1k s ASN 807 Ca -0.11 -1.11 0.00 0.00 -1.02 0.00 0.00 52.86 50.62 1i1k s ASN 807 Cb 0.11 -2.57 0.00 0.00 0.02 0.00 0.00 41.25 38.81 1i1k s ASN 807 CO 0.88 -1.65 0.00 0.00 0.02 0.00 0.00 177.10 176.35