#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i9y s ASP 535 N 0.00 2.55 0.26 2.98 2.15 -1.26 -5.04 116.67 118.31 1i9y s ASP 535 Ca 0.00 -0.71 -0.02 0.00 0.43 0.00 0.00 52.55 52.25 1i9y s ASP 535 Cb 0.00 -0.31 0.55 0.00 -0.30 0.00 0.00 42.92 42.86 1i9y s ASP 535 CO 0.00 -0.35 1.70 -0.65 -0.17 0.00 0.00 175.17 175.70 1i9y h PRO 536 N 8.39 0.37 -0.38 4.34 0.11 -2.05 -0.79 132.00 141.98 1i9y h PRO 536 Ca -0.16 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.92 1i9y h PRO 536 Cb 1.13 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.14 1i9y h PRO 536 CO 0.31 0.24 0.20 0.82 -0.21 0.00 0.00 178.00 179.36 1i9y h ILE 537 N 0.38 1.12 -0.03 4.15 2.04 -1.98 -0.73 117.51 122.46 1i9y h ILE 537 Ca 0.46 -0.32 -0.01 0.00 1.00 0.00 0.00 64.86 65.99 1i9y h ILE 537 Cb 0.80 0.63 -0.00 0.00 -0.74 0.00 0.00 36.82 37.50 1i9y h ILE 537 CO -0.48 0.14 -0.03 -0.74 0.00 0.00 0.00 178.15 177.04 1i9y h HIS 538 N 0.52 0.08 -0.96 1.37 2.76 -1.58 -1.42 115.15 115.93 1i9y h HIS 538 Ca 0.13 -0.02 0.11 0.00 -2.20 0.00 0.00 60.37 58.39 1i9y h HIS 538 Cb 0.03 -0.02 -0.08 0.00 1.55 0.00 0.00 27.41 28.90 1i9y h HIS 538 CO 0.00 0.55 0.61 1.49 -1.30 0.00 0.00 177.93 179.28 1i9y h GLU 539 N -0.42 0.91 0.62 5.26 4.81 -0.93 -1.45 114.58 123.38 1i9y h GLU 539 Ca 0.00 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.15 1i9y h GLU 539 Cb 0.54 -0.20 0.01 0.00 0.63 0.00 0.00 28.75 29.72 1i9y h GLU 539 CO 0.01 0.60 -0.30 -0.92 -0.73 0.00 0.00 179.01 177.67 1i9y h TYR 540 N 0.93 -0.77 -0.96 0.92 3.20 -0.99 -2.50 116.97 116.80 1i9y h TYR 540 Ca 0.46 -0.02 0.09 0.00 3.14 0.00 0.00 58.73 62.40 1i9y h TYR 540 Cb 0.48 0.26 -0.07 0.00 1.54 0.00 0.00 36.73 38.93 1i9y h TYR 540 CO -0.00 -0.46 0.60 0.28 -1.64 0.00 0.00 178.16 176.94 1i9y h VAL 541 N -0.90 0.99 -0.77 1.81 2.07 -0.64 -1.04 116.25 117.78 1i9y h VAL 541 Ca -0.09 -0.35 -0.03 0.00 0.82 0.00 0.00 66.70 67.06 1i9y h VAL 541 Cb 0.66 -0.13 -0.04 0.00 -1.52 0.00 0.00 31.29 30.27 1i9y h VAL 541 CO 0.14 0.19 0.38 0.78 0.02 0.00 0.00 177.57 179.07 1i9y h ASN 542 N 1.03 0.99 -0.32 0.57 2.35 -1.23 0.11 115.58 119.07 1i9y h ASN 542 Ca 0.45 -0.11 -0.03 0.00 -0.55 0.00 0.00 56.30 56.06 1i9y h ASN 542 Cb 0.32 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.43 1i9y h ASN 542 CO -0.22 0.83 0.09 -0.74 -1.65 0.00 0.00 177.43 175.74 1i9y h HIS 543 N 1.09 0.53 -0.26 1.19 2.76 -0.75 -2.40 115.15 117.30 1i9y h HIS 543 Ca 0.27 -0.06 -0.04 0.00 -2.20 0.00 0.00 60.37 58.34 1i9y h HIS 543 Cb 0.10 -0.15 -0.01 0.00 1.55 0.00 0.00 27.41 28.89 1i9y h HIS 543 CO 0.01 0.54 -0.00 0.93 -1.30 0.00 0.00 177.93 178.11 1i9y h GLU 544 N 0.37 0.46 -0.17 5.26 4.39 -0.93 -3.02 114.58 120.93 1i9y h GLU 544 Ca 0.10 -0.15 0.05 0.00 0.34 0.00 0.00 59.36 59.70 1i9y h GLU 544 Cb 0.26 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.87 1i9y h GLU 544 CO -0.00 0.63 0.12 1.25 -1.16 0.00 0.00 179.01 179.85 1i9y h LEU 545 N 0.24 0.02 -1.66 1.33 5.85 -0.73 -0.86 115.31 119.49 1i9y h LEU 545 Ca 0.07 -0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.77 1i9y h LEU 545 Cb 0.42 -0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.45 1i9y h LEU 545 CO 0.01 0.01 -0.12 0.03 -0.34 0.00 0.00 178.44 178.03 1i9y h ARG 546 N 0.02 0.00 0.12 1.25 3.08 -1.29 -1.74 114.38 115.82 1i9y h ARG 546 Ca 0.08 0.00 -0.28 0.00 0.07 0.00 0.00 59.98 59.85 1i9y h ARG 546 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.35 1i9y h ARG 546 CO -0.00 0.12 -1.26 0.87 -1.07 0.00 0.00 179.97 178.63 1i9y h LYS 547 N 0.00 0.26 -0.86 0.04 1.57 -1.24 -3.26 116.57 113.09 1i9y h LYS 547 Ca -0.00 -0.45 -0.29 0.00 -1.87 0.00 0.00 60.65 58.04 1i9y h LYS 547 Cb 0.47 0.17 -0.17 0.00 0.08 0.00 0.00 32.23 32.78 1i9y h LYS 547 CO 0.02 1.21 0.36 0.54 -0.57 0.00 0.00 179.45 181.01 1i9y n ARG 548 N -3.52 3.04 -0.27 3.15 1.74 -0.90 -4.60 116.66 115.28 1i9y n ARG 548 Ca -0.09 -2.74 0.03 0.00 -0.77 0.00 0.00 57.85 54.28 1i9y n ARG 548 Cb 1.02 -2.11 0.16 0.00 -1.02 0.00 0.00 32.46 30.52 1i9y n ARG 548 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1i9y h GLU 549 N 1.93 0.66 0.00 5.56 5.08 -1.38 -0.40 114.58 126.03 1i9y h GLU 549 Ca 0.35 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.67 1i9y h GLU 549 Cb 2.35 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 31.45 1i9y h GLU 549 CO 0.78 0.44 0.00 0.27 -1.00 0.00 0.00 179.01 179.50 1i9y n ASN 550 N -4.81 0.00 0.01 1.42 6.94 -1.26 -0.69 115.26 116.87 1i9y n ASN 550 Ca 0.13 0.10 0.12 0.00 -0.02 0.00 0.00 54.58 54.91 1i9y n ASN 550 Cb 0.29 -0.14 0.15 0.00 -2.36 0.00 0.00 39.78 37.73 1i9y n ASN 550 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 1i9y n GLU 551 N -1.14 0.08 -0.30 -3.83 1.02 -0.16 -4.30 120.64 112.02 1i9y n GLU 551 Ca 0.01 0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.16 1i9y n GLU 551 Cb 0.01 -1.54 0.00 0.00 -0.02 0.00 0.00 31.44 29.89 1i9y n GLU 551 CO 0.00 0.00 0.00 1.97 1.18 0.00 0.00 177.13 180.28 1i9y n PHE 552 N -1.65 0.00 -3.93 -0.32 1.16 0.14 -4.96 117.46 107.90 1i9y n PHE 552 Ca 0.04 0.00 -0.10 0.00 -1.87 0.00 0.00 57.45 55.52 1i9y n PHE 552 Cb 0.36 -0.02 -0.12 0.00 -1.61 0.00 0.00 39.48 38.09 1i9y n PHE 552 CO 0.00 0.00 0.00 -1.12 -1.87 0.00 0.00 176.76 173.77 1i9y s SER 553 N -0.57 0.13 -0.02 5.98 0.01 -0.51 -0.17 113.70 118.55 1i9y s SER 553 Ca 0.00 -0.27 0.05 0.00 1.31 0.00 0.00 55.95 57.04 1i9y s SER 553 Cb 0.00 0.07 -0.01 0.00 0.21 0.00 0.00 66.02 66.29 1i9y s SER 553 CO 0.00 -0.18 -0.18 -1.61 0.41 0.00 0.00 173.24 171.68 1i9y s GLU 554 N -0.85 1.47 -0.06 12.44 2.02 -0.18 -4.56 118.70 128.98 1i9y s GLU 554 Ca -0.09 -0.63 0.04 0.00 0.02 0.00 0.00 54.97 54.31 1i9y s GLU 554 Cb -0.06 -1.40 -0.02 0.00 0.10 0.00 0.00 34.13 32.75 1i9y s GLU 554 CO -0.00 0.36 -0.17 -1.01 0.02 0.00 0.00 175.26 174.46 1i9y s HIS 555 N -0.36 2.64 0.02 1.61 3.76 -1.26 -0.57 115.29 121.13 1i9y s HIS 555 Ca 0.06 -0.37 0.01 0.00 -0.15 0.00 0.00 55.06 54.60 1i9y s HIS 555 Cb -0.07 -1.65 -0.02 0.00 1.11 0.00 0.00 32.58 31.95 1i9y s HIS 555 CO -0.00 0.02 -0.04 0.21 -0.85 0.00 0.00 174.74 174.07 1i9y s LYS 556 N -0.42 0.34 -0.12 1.40 2.20 -0.10 -4.97 119.74 118.07 1i9y s LYS 556 Ca 0.04 -0.51 -0.12 0.00 -0.36 0.00 0.00 55.97 55.03 1i9y s LYS 556 Cb -0.12 -0.09 -0.05 0.00 -1.51 0.00 0.00 37.83 36.06 1i9y s LYS 556 CO 0.02 0.01 0.25 -0.80 -0.36 0.00 0.00 175.35 174.46 1i9y s ASN 557 N -1.11 6.46 -0.11 1.43 -0.87 -1.26 0.98 114.94 120.45 1i9y s ASN 557 Ca -0.10 0.54 0.02 0.00 -1.57 0.00 0.00 52.86 51.76 1i9y s ASN 557 Cb -0.07 -2.15 -0.01 0.00 -0.02 0.00 0.00 41.25 39.00 1i9y s ASN 557 CO -0.00 0.24 -0.19 -0.69 -2.57 0.00 0.00 177.10 173.89 1i9y s VAL 558 N -0.26 2.52 -0.18 1.60 1.01 0.11 -4.90 120.40 120.31 1i9y s VAL 558 Ca 0.16 -0.86 -0.24 0.00 0.00 0.00 0.00 61.98 61.05 1i9y s VAL 558 Cb -0.13 -2.01 -0.02 0.00 0.00 0.00 0.00 36.38 34.22 1i9y s VAL 558 CO 0.05 0.54 0.76 -0.54 0.00 0.00 0.00 175.10 175.91 1i9y s LYS 559 N 0.32 4.27 -0.09 2.72 1.02 -1.26 -0.08 119.74 126.63 1i9y s LYS 559 Ca -0.15 0.87 0.04 0.00 0.02 0.00 0.00 55.97 56.76 1i9y s LYS 559 Cb -0.17 -3.57 -0.01 0.00 -0.52 0.00 0.00 37.83 33.56 1i9y s LYS 559 CO 0.07 -0.29 -0.22 0.42 -0.92 0.00 0.00 175.35 174.41 1i9y s ILE 560 N 2.05 2.23 -0.18 2.17 1.01 0.25 -0.31 121.20 128.43 1i9y s ILE 560 Ca 0.35 -0.97 -0.01 0.00 0.00 0.00 0.00 60.65 60.01 1i9y s ILE 560 Cb -0.16 -1.85 -0.01 0.00 0.01 0.00 0.00 42.46 40.45 1i9y s ILE 560 CO 0.12 0.56 -0.11 0.12 0.00 0.00 0.00 174.94 175.63 1i9y s PHE 561 N 0.16 2.86 -0.13 3.97 5.36 -0.12 -0.75 117.98 129.33 1i9y s PHE 561 Ca -0.12 -0.97 0.01 0.00 -0.96 0.00 0.00 56.93 54.89 1i9y s PHE 561 Cb -0.16 -1.97 -0.00 0.00 -0.34 0.00 0.00 43.02 40.54 1i9y s PHE 561 CO 0.07 -0.47 -0.17 0.08 -1.46 0.00 0.00 175.22 173.26 1i9y s VAL 562 N 1.01 2.61 -0.01 3.12 1.01 0.04 0.03 120.40 128.21 1i9y s VAL 562 Ca -0.01 -0.81 0.03 0.00 0.00 0.00 0.00 61.98 61.19 1i9y s VAL 562 Cb -0.15 -2.07 -0.01 0.00 0.00 0.00 0.00 36.38 34.15 1i9y s VAL 562 CO -0.02 0.53 -0.10 0.00 0.00 0.00 0.00 175.10 175.52 1i9y s ALA 563 N 0.56 0.82 -0.00 5.51 0.00 0.29 -0.36 121.76 128.58 1i9y s ALA 563 Ca -0.10 -0.42 0.02 0.00 0.00 0.00 0.00 51.96 51.46 1i9y s ALA 563 Cb -0.16 -0.21 -0.01 0.00 0.00 0.00 0.00 23.12 22.74 1i9y s ALA 563 CO 0.04 0.20 -0.07 0.45 0.00 0.00 0.00 175.76 176.37 1i9y s SER 564 N -0.21 0.86 -0.23 0.00 0.15 -0.48 -0.41 113.70 113.39 1i9y s SER 564 Ca 0.03 -0.17 -0.07 0.00 0.70 0.00 0.00 55.95 56.44 1i9y s SER 564 Cb -0.04 -0.08 0.11 0.00 -1.71 0.00 0.00 66.02 64.29 1i9y s SER 564 CO -0.00 0.06 0.49 -0.47 1.20 0.00 0.00 173.24 174.52 1i9y s TYR 565 N -0.28 -0.98 -0.43 3.44 5.04 -0.47 -1.06 117.35 122.62 1i9y s TYR 565 Ca 0.02 1.72 -0.23 0.00 -2.44 0.00 0.00 57.07 56.14 1i9y s TYR 565 Cb -0.03 0.44 0.02 0.00 0.35 0.00 0.00 41.96 42.73 1i9y s TYR 565 CO -0.00 -0.56 0.76 1.21 -1.34 0.00 0.00 175.55 175.62 1i9y s ASN 566 N 2.70 6.43 0.47 4.32 3.84 -1.26 -1.09 114.94 130.34 1i9y s ASN 566 Ca -0.01 -0.04 0.28 0.00 0.21 0.00 0.00 52.86 53.29 1i9y s ASN 566 Cb -0.12 -2.38 0.86 0.00 -0.55 0.00 0.00 41.25 39.06 1i9y s ASN 566 CO -0.15 -0.86 1.79 -0.07 -2.79 0.00 0.00 177.10 175.03 1i9y h LEU 567 N 9.99 0.00 2.15 3.21 3.38 -1.02 -3.39 115.31 129.62 1i9y h LEU 567 Ca -0.25 0.00 -0.41 0.00 0.09 0.00 0.00 57.88 57.31 1i9y h LEU 567 Cb 1.09 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.76 1i9y h LEU 567 CO 0.94 0.00 -0.46 -3.20 0.09 0.00 0.00 178.44 175.81 1i9y n ASN 568 N -3.00 -5.57 0.00 -0.43 5.15 -1.24 -1.35 115.26 108.81 1i9y n ASN 568 Ca 0.02 0.21 0.00 0.00 -0.60 0.00 0.00 54.58 54.21 1i9y n ASN 568 Cb 0.41 -4.76 0.00 0.00 -0.53 0.00 0.00 39.78 34.90 1i9y n ASN 568 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1i9y n GLY 569 N -0.74 0.53 3.67 8.20 0.00 0.76 -4.45 105.19 113.17 1i9y n GLY 569 Ca -0.22 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.49 1i9y n GLY 569 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i9y s SER 571 N -2.94 6.53 0.48 0.00 0.01 -1.26 -4.98 113.70 111.53 1i9y s SER 571 Ca 0.65 1.95 -0.24 0.00 1.31 0.00 0.00 55.95 59.62 1i9y s SER 571 Cb -0.21 -2.57 -0.07 0.00 0.21 0.00 0.00 66.02 63.38 1i9y s SER 571 CO 0.58 -0.65 1.37 0.00 0.41 0.00 0.00 173.24 174.95 1i9y s ALA 572 N -1.88 3.09 0.01 1.44 0.00 -1.26 -5.01 121.76 118.14 1i9y s ALA 572 Ca 0.64 1.36 -0.27 0.00 0.00 0.00 0.00 51.96 53.68 1i9y s ALA 572 Cb -0.18 -3.56 0.07 0.00 0.00 0.00 0.00 23.12 19.45 1i9y s ALA 572 CO 0.22 -1.18 0.63 -0.08 0.00 0.00 0.00 175.76 175.35 1i9y s THR 573 N -1.26 0.01 -2.43 0.00 -1.32 -1.26 -5.01 115.64 104.36 1i9y s THR 573 Ca 0.64 -0.05 0.27 0.00 -1.21 0.00 0.00 61.69 61.34 1i9y s THR 573 Cb -0.41 -0.98 0.54 0.00 -1.51 0.00 0.00 72.50 70.14 1i9y s THR 573 CO 0.51 -0.03 1.72 0.35 -2.21 0.00 0.00 174.62 174.96 1i9y n THR 574 N 0.56 0.04 -2.41 5.08 -2.24 -1.26 -4.61 114.28 109.44 1i9y n THR 574 Ca -0.19 -0.26 -0.43 0.00 -2.27 0.00 0.00 64.05 60.90 1i9y n THR 574 Cb 0.59 0.44 0.00 0.00 -2.10 0.00 0.00 70.33 69.26 1i9y n THR 574 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1i9y n LYS 575 N 0.16 3.24 -0.18 -0.78 4.76 -1.26 -4.31 118.16 119.80 1i9y n LYS 575 Ca 0.19 -3.30 0.02 0.00 -2.87 0.00 0.00 58.31 52.34 1i9y n LYS 575 Cb 0.34 -3.22 0.02 0.00 -1.84 0.00 0.00 35.03 30.33 1i9y n LYS 575 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1i9y n LEU 576 N 6.27 0.71 -0.26 -0.35 4.77 -1.26 -4.91 117.00 121.98 1i9y n LEU 576 Ca 0.45 -1.17 0.06 0.00 -0.03 0.00 0.00 56.01 55.33 1i9y n LEU 576 Cb 0.42 -0.07 0.20 0.00 -2.33 0.00 0.00 43.42 41.63 1i9y n LEU 576 CO 0.78 0.28 0.98 -0.33 -1.33 0.00 0.00 177.39 177.77 1i9y h GLU 577 N 0.00 0.35 0.00 3.23 3.07 -1.96 0.16 114.58 119.42 1i9y h GLU 577 Ca 0.00 -0.02 -0.03 0.00 -0.50 0.00 0.00 59.36 58.81 1i9y h GLU 577 Cb 1.05 -0.08 -0.00 0.00 -0.84 0.00 0.00 28.75 28.88 1i9y h GLU 577 CO 0.00 0.23 -0.13 -0.91 -1.40 0.00 0.00 179.01 176.80 1i9y h ASN 578 N 0.36 0.00 0.02 1.42 -0.26 -1.91 -0.26 115.58 114.95 1i9y h ASN 578 Ca 0.43 0.00 -0.18 0.00 -0.56 0.00 0.00 56.30 55.99 1i9y h ASN 578 Cb 0.72 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.96 1i9y h ASN 578 CO -0.47 0.13 -0.96 -0.25 -1.06 0.00 0.00 177.43 174.82 1i9y h TRP 579 N 0.00 0.07 0.00 1.19 7.01 -1.14 -3.31 115.95 119.77 1i9y h TRP 579 Ca -0.00 -0.05 -0.05 0.00 2.11 0.00 0.00 58.89 60.89 1i9y h TRP 579 Cb 0.31 -0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 27.36 1i9y h TRP 579 CO 0.00 1.38 -0.66 -0.07 -2.79 0.00 0.00 178.44 176.29 1i9y h LEU 580 N -0.88 0.00 -5.54 0.65 4.07 -1.17 -3.36 115.31 109.08 1i9y h LEU 580 Ca -0.25 0.00 -0.53 0.00 0.08 0.00 0.00 57.88 57.18 1i9y h LEU 580 Cb 1.30 0.00 -0.41 0.00 1.08 0.00 0.00 40.66 42.63 1i9y h LEU 580 CO -0.11 0.21 -0.93 0.49 -1.08 0.00 0.00 178.44 177.02 1i9y n PHE 581 N -2.96 2.12 -0.02 1.13 3.01 -0.11 -4.91 117.46 115.71 1i9y n PHE 581 Ca -0.00 -3.79 -0.13 0.00 1.01 0.00 0.00 57.45 54.54 1i9y n PHE 581 Cb 0.64 -0.43 -0.09 0.00 -0.01 0.00 0.00 39.48 39.59 1i9y n PHE 581 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1i9y h PRO 582 N 2.97 0.09 0.00 -1.08 0.13 -1.66 -3.43 132.00 129.02 1i9y h PRO 582 Ca 0.11 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 1i9y h PRO 582 Cb 0.78 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.91 1i9y h PRO 582 CO 0.66 0.50 0.00 -0.85 -0.23 0.00 0.00 178.00 178.08 1i9y n GLU 583 N -4.81 -1.53 -2.61 0.86 -0.00 -1.26 -4.96 120.64 106.34 1i9y n GLU 583 Ca -0.08 0.00 -0.13 0.00 -0.00 0.00 0.00 57.16 56.95 1i9y n GLU 583 Cb 0.25 0.00 0.02 0.00 -0.00 0.00 0.00 31.44 31.71 1i9y n GLU 583 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 1i9y n ASN 584 N -2.72 2.43 -4.48 -1.84 5.15 -1.26 -5.08 115.26 107.45 1i9y n ASN 584 Ca 0.00 -2.92 -0.24 0.00 -0.60 0.00 0.00 54.58 50.82 1i9y n ASN 584 Cb 0.00 -0.50 -0.10 0.00 -0.53 0.00 0.00 39.78 38.65 1i9y n ASN 584 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 1i9y s THR 585 N -3.87 1.34 0.68 -0.44 -4.23 -1.26 -5.13 115.64 102.74 1i9y s THR 585 Ca 0.33 -2.00 -0.15 0.00 -1.18 0.00 0.00 61.69 58.69 1i9y s THR 585 Cb 0.42 -2.77 0.01 0.00 1.34 0.00 0.00 72.50 71.51 1i9y s THR 585 CO -0.03 0.00 1.14 -2.84 -0.54 0.00 0.00 174.62 172.36 1i9y s PRO 586 N -3.83 2.56 0.55 3.99 0.02 -1.26 -4.95 135.00 132.09 1i9y s PRO 586 Ca 0.33 1.52 -0.22 0.00 0.02 0.00 0.00 61.00 62.65 1i9y s PRO 586 Cb 0.08 -1.91 -0.05 0.00 0.02 0.00 0.00 34.50 32.64 1i9y s PRO 586 CO 0.15 -1.46 1.35 -0.51 -0.33 0.00 0.00 177.00 176.21 1i9y s LEU 587 N -4.96 3.84 0.72 -5.54 1.43 -1.26 -4.97 118.68 107.93 1i9y s LEU 587 Ca 0.69 2.75 -0.11 0.00 -1.03 0.00 0.00 54.13 56.44 1i9y s LEU 587 Cb -0.23 -4.29 0.02 0.00 0.03 0.00 0.00 46.19 41.72 1i9y s LEU 587 CO 0.43 -1.59 1.09 0.00 0.23 0.00 0.00 176.35 176.50 1i9y s ALA 588 N -1.31 2.72 0.06 4.21 0.00 -1.26 -4.98 121.76 121.21 1i9y s ALA 588 Ca 0.72 -0.25 -0.11 0.00 0.00 0.00 0.00 51.96 52.32 1i9y s ALA 588 Cb -0.40 -3.06 -0.28 0.00 0.00 0.00 0.00 23.12 19.37 1i9y s ALA 588 CO 0.47 -1.27 1.11 -0.44 0.00 0.00 0.00 175.76 175.64 1i9y h ASP 589 N -0.75 0.71 -3.49 0.00 3.32 -1.04 -3.45 116.42 111.72 1i9y h ASP 589 Ca -0.45 -0.70 -0.47 0.00 0.02 0.00 0.00 57.03 55.43 1i9y h ASP 589 Cb 1.25 -0.23 -0.33 0.00 0.22 0.00 0.00 39.33 40.24 1i9y h ASP 589 CO 0.62 1.52 -0.80 -0.63 -1.72 0.00 0.00 179.24 178.24 1i9y s ILE 590 N -2.84 0.89 -0.17 0.35 1.01 -0.80 -1.50 121.20 118.15 1i9y s ILE 590 Ca -0.07 -0.35 -0.03 0.00 0.00 0.00 0.00 60.65 60.19 1i9y s ILE 590 Cb 0.06 -0.84 -0.02 0.00 0.01 0.00 0.00 42.46 41.67 1i9y s ILE 590 CO 0.92 0.30 -0.04 -0.31 0.00 0.00 0.00 174.94 175.80 1i9y s TYR 591 N 0.67 2.98 -0.22 3.97 1.51 0.60 -0.95 117.35 125.92 1i9y s TYR 591 Ca -0.12 -0.49 0.00 0.00 -1.01 0.00 0.00 57.07 55.45 1i9y s TYR 591 Cb -0.14 -1.99 0.03 0.00 -0.11 0.00 0.00 41.96 39.74 1i9y s TYR 591 CO 0.02 -0.20 -0.13 0.08 -1.11 0.00 0.00 175.55 174.22 1i9y s VAL 592 N 0.70 2.42 -0.15 0.71 1.01 0.11 -1.05 120.40 124.14 1i9y s VAL 592 Ca -0.02 -1.07 0.02 0.00 0.00 0.00 0.00 61.98 60.90 1i9y s VAL 592 Cb -0.15 -2.17 0.01 0.00 0.00 0.00 0.00 36.38 34.07 1i9y s VAL 592 CO 0.02 0.31 -0.21 -0.69 0.00 0.00 0.00 175.10 174.54 1i9y s VAL 593 N 1.28 2.15 -0.11 2.92 1.01 -0.09 -0.55 120.40 127.01 1i9y s VAL 593 Ca 0.01 -0.94 0.02 0.00 0.00 0.00 0.00 61.98 61.07 1i9y s VAL 593 Cb -0.16 -1.87 -0.01 0.00 0.00 0.00 0.00 36.38 34.34 1i9y s VAL 593 CO -0.08 0.54 -0.18 -0.83 0.00 0.00 0.00 175.10 174.55 1i9y s GLY 594 N 0.90 1.44 0.10 4.51 0.00 0.46 -0.84 107.32 113.88 1i9y s GLY 594 Ca -0.05 -0.94 0.09 0.00 0.00 0.00 0.00 44.72 43.82 1i9y s GLY 594 CO -0.03 -0.32 -0.21 -1.36 0.00 0.00 0.00 173.10 171.17 1i9y s PHE 595 N 0.23 2.47 0.17 1.90 0.40 0.44 -1.37 117.98 122.22 1i9y s PHE 595 Ca -0.12 -0.30 0.09 0.00 -0.60 0.00 0.00 56.93 56.00 1i9y s PHE 595 Cb -0.16 -1.35 -0.04 0.00 0.51 0.00 0.00 43.02 41.98 1i9y s PHE 595 CO 0.06 0.33 -0.19 -0.65 0.70 0.00 0.00 175.22 175.47 1i9y s GLN 596 N -1.91 1.30 -1.33 0.44 1.11 -0.25 -0.94 119.66 118.08 1i9y s GLN 596 Ca 0.16 -1.42 -0.01 0.00 0.01 0.00 0.00 55.36 54.10 1i9y s GLN 596 Cb -0.10 -1.38 0.01 0.00 -1.01 0.00 0.00 33.01 30.52 1i9y s GLN 596 CO 0.08 0.28 0.72 0.39 0.01 0.00 0.00 175.29 176.77 1i9y n GLU 597 N 0.30 -4.94 0.04 2.91 1.02 -0.71 -0.56 120.64 118.71 1i9y n GLU 597 Ca -0.13 0.61 0.12 0.00 -0.02 0.00 0.00 57.16 57.74 1i9y n GLU 597 Cb 0.57 -5.19 0.58 0.00 -0.02 0.00 0.00 31.44 27.38 1i9y n GLU 597 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 1i9y h ILE 598 N -1.89 0.90 -3.45 -3.67 2.04 -1.38 0.22 117.51 110.28 1i9y h ILE 598 Ca -0.61 -0.07 -0.68 0.00 1.00 0.00 0.00 64.86 64.51 1i9y h ILE 598 Cb 1.36 0.69 -0.31 0.00 -0.74 0.00 0.00 36.82 37.82 1i9y h ILE 598 CO 0.57 0.04 -0.84 -0.69 0.00 0.00 0.00 178.15 177.23 1i9y s VAL 599 N -5.21 2.37 0.34 1.67 1.01 -1.26 -4.29 120.40 115.03 1i9y s VAL 599 Ca -0.06 -0.92 -0.29 0.00 0.00 0.00 0.00 61.98 60.71 1i9y s VAL 599 Cb 0.19 -1.93 -0.11 0.00 0.00 0.00 0.00 36.38 34.53 1i9y s VAL 599 CO 0.72 0.55 1.52 -1.58 0.00 0.00 0.00 175.10 176.31 1i9y s GLN 600 N 0.23 4.13 0.19 2.72 0.74 -1.25 -4.56 119.66 121.87 1i9y s GLN 600 Ca -0.14 2.55 -0.12 0.00 0.05 0.00 0.00 55.36 57.70 1i9y s GLN 600 Cb -0.17 -3.00 -0.07 0.00 1.10 0.00 0.00 33.01 30.88 1i9y s GLN 600 CO 0.07 -0.55 0.56 -0.51 -0.55 0.00 0.00 175.29 174.31 1i9y s LEU 601 N -1.44 4.25 0.00 3.68 1.43 -1.26 -4.94 118.68 120.40 1i9y s LEU 601 Ca 0.57 1.03 0.00 0.00 -1.03 0.00 0.00 54.13 54.70 1i9y s LEU 601 Cb -0.47 -3.50 0.00 0.00 0.03 0.00 0.00 46.19 42.25 1i9y s LEU 601 CO 0.57 0.01 0.00 0.41 0.23 0.00 0.00 176.35 177.56 1i9y n THR 602 N 0.33 0.00 -2.36 5.49 -1.04 -1.26 -5.12 114.28 110.32 1i9y n THR 602 Ca -0.02 0.00 -0.02 0.00 -2.04 0.00 0.00 64.05 61.97 1i9y n THR 602 Cb 0.52 -0.58 0.00 0.00 -1.82 0.00 0.00 70.33 68.46 1i9y n THR 602 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1i9y n SER 608 N -2.53 -0.23 -1.98 8.00 2.88 -1.26 -5.14 113.62 113.36 1i9y n SER 608 Ca 0.00 -2.04 0.00 0.00 -1.33 0.00 0.00 58.87 55.50 1i9y n SER 608 Cb 0.49 0.11 0.00 0.00 -0.75 0.00 0.00 64.21 64.06 1i9y n SER 608 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1i9y n ALA 609 N -0.21 -2.12 -3.94 -1.46 0.00 -1.26 -4.96 120.51 106.55 1i9y n ALA 609 Ca -0.13 0.44 -0.30 0.00 0.00 0.00 0.00 53.44 53.45 1i9y n ALA 609 Cb 0.87 -1.37 -0.14 0.00 0.00 0.00 0.00 19.45 18.81 1i9y n ALA 609 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1i9y s ASP 610 N -0.48 4.41 0.42 0.00 -1.08 -1.26 -4.97 116.67 113.71 1i9y s ASP 610 Ca 0.00 -2.55 0.08 0.00 -0.52 0.00 0.00 52.55 49.56 1i9y s ASP 610 Cb 0.00 -1.53 0.89 0.00 -1.46 0.00 0.00 42.92 40.82 1i9y s ASP 610 CO 0.00 -0.30 2.04 -0.65 0.52 0.00 0.00 175.17 176.78 1i9y h PRO 611 N 7.06 0.43 -0.28 4.34 0.11 -1.93 -2.49 132.00 139.24 1i9y h PRO 611 Ca -0.06 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.99 1i9y h PRO 611 Cb 0.95 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.96 1i9y h PRO 611 CO 0.59 0.32 0.08 0.00 -0.21 0.00 0.00 178.00 178.78 1i9y h ALA 612 N 1.75 0.36 -0.69 -0.75 0.00 -1.99 0.28 119.26 118.23 1i9y h ALA 612 Ca 0.11 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1i9y h ALA 612 Cb 0.02 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 1i9y h ALA 612 CO -0.02 -0.00 0.35 0.87 0.00 0.00 0.00 179.25 180.45 1i9y h LYS 613 N 0.28 0.98 -0.70 0.00 1.57 -1.90 -1.46 116.57 115.34 1i9y h LYS 613 Ca 0.09 -0.14 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 1i9y h LYS 613 Cb 0.25 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.35 1i9y h LYS 613 CO -0.00 0.76 0.42 -0.09 -0.57 0.00 0.00 179.45 179.97 1i9y h ARG 614 N 0.96 0.95 -0.15 3.15 2.43 -1.23 -2.25 114.38 118.23 1i9y h ARG 614 Ca 0.24 -0.09 -0.04 0.00 -0.81 0.00 0.00 59.98 59.28 1i9y h ARG 614 Cb 0.09 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.43 1i9y h ARG 614 CO -0.03 0.68 -0.10 0.00 -1.51 0.00 0.00 179.97 179.00 1i9y h ARG 615 N 0.95 0.23 -0.69 0.20 3.08 -0.34 -0.57 114.38 117.24 1i9y h ARG 615 Ca 0.25 -0.05 -0.07 0.00 0.07 0.00 0.00 59.98 60.18 1i9y h ARG 615 Cb -0.02 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 29.97 1i9y h ARG 615 CO -0.05 0.35 0.16 0.93 -1.07 0.00 0.00 179.97 180.29 1i9y h GLU 616 N 0.23 1.11 -0.34 0.04 5.08 -0.70 0.80 114.58 120.80 1i9y h GLU 616 Ca 0.05 -0.27 -0.07 0.00 -1.00 0.00 0.00 59.36 58.06 1i9y h GLU 616 Cb 0.33 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 1i9y h GLU 616 CO 0.02 0.99 -0.08 -1.49 -1.00 0.00 0.00 179.01 177.45 1i9y h TRP 617 N 1.05 0.73 -0.50 4.33 4.06 -0.98 0.17 115.95 124.82 1i9y h TRP 617 Ca 0.22 -0.16 0.07 0.00 2.06 0.00 0.00 58.89 61.08 1i9y h TRP 617 Cb 0.38 -0.18 -0.06 0.00 -1.00 0.00 0.00 29.16 28.30 1i9y h TRP 617 CO 0.03 0.82 0.16 0.93 -3.56 0.00 0.00 178.44 176.81 1i9y h GLU 618 N 0.44 0.31 -0.39 0.49 5.08 -0.86 0.24 114.58 119.90 1i9y h GLU 618 Ca 0.09 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.39 1i9y h GLU 618 Cb 0.57 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 1i9y h GLU 618 CO 0.03 0.21 0.11 1.03 -1.00 0.00 0.00 179.01 179.39 1i9y h SER 619 N 0.32 0.57 -0.45 1.42 0.87 -0.57 -0.75 113.55 114.96 1i9y h SER 619 Ca 0.24 -0.22 0.00 0.00 -1.23 0.00 0.00 61.79 60.59 1i9y h SER 619 Cb 0.28 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 62.07 1i9y h SER 619 CO -0.27 0.64 0.28 0.00 -0.53 0.00 0.00 176.83 176.95 1i9y h VAL 621 N 0.60 1.18 -0.66 0.00 2.07 -0.41 -1.74 116.25 117.29 1i9y h VAL 621 Ca 0.16 -0.54 0.07 0.00 0.82 0.00 0.00 66.70 67.21 1i9y h VAL 621 Cb -0.04 1.14 -0.06 0.00 -1.52 0.00 0.00 31.29 30.82 1i9y h VAL 621 CO -0.03 0.17 0.33 0.50 0.02 0.00 0.00 177.57 178.56 1i9y h LYS 622 N 0.18 0.58 -0.44 1.57 3.64 -1.07 -0.09 116.57 120.94 1i9y h LYS 622 Ca 0.07 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.41 1i9y h LYS 622 Cb 0.20 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.87 1i9y h LYS 622 CO -0.00 0.38 0.25 -0.09 -2.27 0.00 0.00 179.45 177.72 1i9y h ARG 623 N 0.60 0.61 0.01 1.90 2.43 -0.97 -1.07 114.38 117.88 1i9y h ARG 623 Ca 0.31 -0.07 -0.00 0.00 -0.81 0.00 0.00 59.98 59.41 1i9y h ARG 623 Cb 0.27 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.70 1i9y h ARG 623 CO -0.23 0.48 -0.01 1.25 -1.51 0.00 0.00 179.97 179.96 1i9y h LEU 624 N 0.58 -0.01 -0.72 3.80 5.85 -0.69 0.16 115.31 124.26 1i9y h LEU 624 Ca 0.16 -0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.84 1i9y h LEU 624 Cb 0.04 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.04 1i9y h LEU 624 CO -0.03 0.04 0.48 -0.07 -0.34 0.00 0.00 178.44 178.52 1i9y h LEU 625 N -0.06 0.83 -0.67 2.25 3.38 -0.80 -2.57 115.31 117.67 1i9y h LEU 625 Ca -0.00 -0.02 -0.14 0.00 0.09 0.00 0.00 57.88 57.80 1i9y h LEU 625 Cb 0.06 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 1i9y h LEU 625 CO 0.00 0.61 -0.65 0.78 0.09 0.00 0.00 178.44 179.27 1i9y h ASN 626 N 0.98 0.06 0.00 -0.43 2.35 -1.07 -2.61 115.58 114.87 1i9y h ASN 626 Ca 0.26 -0.04 -0.00 0.00 -0.55 0.00 0.00 56.30 55.98 1i9y h ASN 626 Cb -0.11 -0.02 -0.00 0.00 0.05 0.00 0.00 38.32 38.24 1i9y h ASN 626 CO -0.06 0.69 -0.00 1.23 -1.65 0.00 0.00 177.43 177.65 1i9y h GLY 627 N 1.86 0.00 1.84 2.83 0.00 -0.28 0.29 103.07 109.62 1i9y h GLY 627 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.32 1i9y h GLY 627 CO 0.09 0.00 -0.12 0.50 0.00 0.00 0.00 176.54 177.01 1i9y h LYS 628 N 0.00 0.00 -3.57 4.80 1.79 -1.26 -3.38 116.57 114.95 1i9y h LYS 628 Ca -0.00 0.00 -0.78 0.00 -2.18 0.00 0.00 60.65 57.69 1i9y h LYS 628 Cb 0.00 0.00 -0.23 0.00 -1.58 0.00 0.00 32.23 30.42 1i9y h LYS 628 CO 0.00 0.00 1.13 0.00 -1.08 0.00 0.00 179.45 179.50 1i9y n THR 630 N 2.77 0.16 -4.18 0.00 -2.24 -1.26 -4.65 114.28 104.88 1i9y n THR 630 Ca 0.31 0.04 -0.23 0.00 -2.27 0.00 0.00 64.05 61.90 1i9y n THR 630 Cb 0.37 -0.61 -0.17 0.00 -2.10 0.00 0.00 70.33 67.82 1i9y n THR 630 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1i9y s SER 631 N -2.54 1.47 0.92 3.42 0.15 -1.26 -5.10 113.70 110.76 1i9y s SER 631 Ca 0.25 -0.20 0.00 0.00 0.70 0.00 0.00 55.95 56.71 1i9y s SER 631 Cb 0.17 -0.62 0.00 0.00 -1.71 0.00 0.00 66.02 63.87 1i9y s SER 631 CO 0.39 -0.06 0.00 0.61 1.20 0.00 0.00 173.24 175.38 1i9y n GLY 632 N 4.29 0.28 3.73 9.45 0.00 -1.26 -4.86 105.19 116.82 1i9y n GLY 632 Ca -0.20 -0.91 -0.36 0.00 0.00 0.00 0.00 46.02 44.55 1i9y n GLY 632 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1i9y s PRO 633 N 0.00 2.46 0.00 1.61 0.02 -1.26 -5.00 135.00 132.83 1i9y s PRO 633 Ca 0.00 1.96 0.00 0.00 0.02 0.00 0.00 61.00 62.98 1i9y s PRO 633 Cb 0.00 -1.85 0.00 0.00 0.02 0.00 0.00 34.50 32.67 1i9y s PRO 633 CO 0.00 -1.64 0.00 0.41 -0.33 0.00 0.00 177.00 175.44 1i9y n GLY 634 N 0.73 1.53 3.51 0.52 0.00 -1.26 -4.90 105.19 105.32 1i9y n GLY 634 Ca 0.15 -0.10 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 1i9y n GLY 634 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1i9y s TYR 635 N 4.03 2.61 0.10 1.61 1.51 -1.26 -1.69 117.35 124.25 1i9y s TYR 635 Ca 0.00 -0.22 0.07 0.00 -1.01 0.00 0.00 57.07 55.91 1i9y s TYR 635 Cb 0.00 -1.41 -0.03 0.00 -0.11 0.00 0.00 41.96 40.41 1i9y s TYR 635 CO 0.00 0.36 -0.18 0.14 -1.11 0.00 0.00 175.55 174.76 1i9y s VAL 636 N -1.10 1.51 -0.30 0.71 -7.23 0.13 -4.89 120.40 109.23 1i9y s VAL 636 Ca 0.18 -1.52 -0.27 0.00 -1.81 0.00 0.00 61.98 58.55 1i9y s VAL 636 Cb -0.11 -1.44 0.01 0.00 0.56 0.00 0.00 36.38 35.41 1i9y s VAL 636 CO 0.10 -0.16 0.98 -1.58 -0.31 0.00 0.00 175.10 174.13 1i9y s GLN 637 N -2.00 4.07 -0.04 4.82 0.74 -1.26 -1.41 119.66 124.58 1i9y s GLN 637 Ca 0.05 0.98 -0.24 0.00 0.05 0.00 0.00 55.36 56.19 1i9y s GLN 637 Cb -0.09 -3.72 -0.19 0.00 1.10 0.00 0.00 33.01 30.12 1i9y s GLN 637 CO 0.04 -0.79 1.10 1.25 -0.55 0.00 0.00 175.29 176.33 1i9y h LEU 638 N 9.79 -0.11 -7.00 3.68 5.85 -0.71 -3.49 115.31 123.32 1i9y h LEU 638 Ca -0.21 -0.43 0.17 0.00 0.84 0.00 0.00 57.88 58.25 1i9y h LEU 638 Cb 1.07 0.03 -0.19 0.00 0.37 0.00 0.00 40.66 41.94 1i9y h LEU 638 CO 0.98 0.41 0.65 -0.60 -0.34 0.00 0.00 178.44 179.54 1i9y s ARG 639 N -3.90 0.53 0.05 1.25 3.52 -1.21 -5.03 118.95 114.16 1i9y s ARG 639 Ca -0.15 -0.13 -0.04 0.00 -0.13 0.00 0.00 55.73 55.28 1i9y s ARG 639 Cb 0.01 0.25 -0.02 0.00 -1.56 0.00 0.00 34.95 33.63 1i9y s ARG 639 CO 0.59 -0.22 0.07 -1.54 -0.81 0.00 0.00 175.30 173.38 1i9y s SER 640 N -2.05 0.25 0.07 -2.12 1.04 -1.26 -0.91 113.70 108.72 1i9y s SER 640 Ca 0.06 -0.65 -0.01 0.00 0.48 0.00 0.00 55.95 55.83 1i9y s SER 640 Cb -0.01 0.22 -0.04 0.00 0.10 0.00 0.00 66.02 66.30 1i9y s SER 640 CO -0.05 -0.54 -0.01 -0.83 0.98 0.00 0.00 173.24 172.78 1i9y s GLY 641 N -2.35 0.58 -0.17 7.32 0.00 0.13 -4.97 107.32 107.85 1i9y s GLY 641 Ca -0.02 -1.26 -0.15 0.00 0.00 0.00 0.00 44.72 43.29 1i9y s GLY 641 CO -0.06 -1.33 0.44 1.62 0.00 0.00 0.00 173.10 173.76 1i9y s GLN 642 N -3.94 0.50 -0.23 2.90 0.74 -1.26 -1.32 119.66 117.05 1i9y s GLN 642 Ca 0.10 0.63 -0.03 0.00 0.05 0.00 0.00 55.36 56.12 1i9y s GLN 642 Cb 0.08 0.22 0.07 0.00 1.10 0.00 0.00 33.01 34.49 1i9y s GLN 642 CO -0.08 -0.07 0.07 -1.17 -0.55 0.00 0.00 175.29 173.49 1i9y s LEU 643 N 0.35 1.28 0.00 3.68 2.96 0.11 -4.99 118.68 122.07 1i9y s LEU 643 Ca -0.01 -1.06 0.00 0.00 -0.22 0.00 0.00 54.13 52.84 1i9y s LEU 643 Cb -0.04 -0.60 0.00 0.00 0.50 0.00 0.00 46.19 46.05 1i9y s LEU 643 CO -0.01 -0.35 0.00 0.52 -1.32 0.00 0.00 176.35 175.19 1i9y n VAL 644 N 5.05 0.00 0.83 1.68 0.31 -1.26 -0.66 118.33 124.27 1i9y n VAL 644 Ca -0.07 0.00 0.08 0.00 -0.01 0.00 0.00 64.34 64.34 1i9y n VAL 644 Cb 0.45 0.00 0.24 0.00 -0.91 0.00 0.00 33.84 33.62 1i9y n VAL 644 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1i9y n GLY 645 N 0.00 0.77 3.69 2.92 0.00 -1.26 -4.26 105.19 107.05 1i9y n GLY 645 Ca 0.00 -0.45 -0.36 0.00 0.00 0.00 0.00 46.02 45.21 1i9y n GLY 645 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1i9y s THR 646 N -1.55 5.36 0.05 2.61 2.01 0.16 -0.99 115.64 123.29 1i9y s THR 646 Ca 0.29 0.26 0.00 0.00 0.31 0.00 0.00 61.69 62.55 1i9y s THR 646 Cb 0.16 -3.52 -0.03 0.00 0.01 0.00 0.00 72.50 69.11 1i9y s THR 646 CO 0.21 0.37 -0.04 0.00 -0.69 0.00 0.00 174.62 174.47 1i9y s ALA 647 N 0.79 0.47 -0.06 7.40 0.00 -0.11 0.10 121.76 130.35 1i9y s ALA 647 Ca 0.09 -0.98 0.02 0.00 0.00 0.00 0.00 51.96 51.10 1i9y s ALA 647 Cb -0.13 0.18 0.01 0.00 0.00 0.00 0.00 23.12 23.19 1i9y s ALA 647 CO 0.03 -0.23 -0.11 -1.17 0.00 0.00 0.00 175.76 174.27 1i9y s LEU 648 N -2.30 1.63 -0.01 0.00 2.96 -0.43 -0.42 118.68 120.11 1i9y s LEU 648 Ca -0.02 -0.27 0.01 0.00 -0.22 0.00 0.00 54.13 53.62 1i9y s LEU 648 Cb -0.01 -0.77 0.01 0.00 0.50 0.00 0.00 46.19 45.92 1i9y s LEU 648 CO -0.05 0.03 -0.01 0.00 -1.32 0.00 0.00 176.35 175.00 1i9y s MET 649 N 0.63 0.21 -0.11 1.98 0.23 -0.02 -0.70 119.30 121.52 1i9y s MET 649 Ca -0.13 -0.02 0.03 0.00 -1.03 0.00 0.00 55.69 54.54 1i9y s MET 649 Cb -0.15 -0.28 0.00 0.00 -1.53 0.00 0.00 34.83 32.88 1i9y s MET 649 CO 0.03 -0.02 -0.22 0.42 -2.03 0.00 0.00 175.02 173.20 1i9y s ILE 650 N 0.32 2.16 0.05 3.16 1.01 -0.08 -0.92 121.20 126.90 1i9y s ILE 650 Ca -0.03 -0.97 0.08 0.00 0.00 0.00 0.00 60.65 59.72 1i9y s ILE 650 Cb -0.05 -1.84 -0.03 0.00 0.01 0.00 0.00 42.46 40.54 1i9y s ILE 650 CO -0.01 0.55 -0.20 -0.36 0.00 0.00 0.00 174.94 174.93 1i9y s PHE 651 N 0.48 2.51 0.09 3.97 0.40 -0.22 0.08 117.98 125.29 1i9y s PHE 651 Ca -0.15 -0.29 -0.03 0.00 -0.60 0.00 0.00 56.93 55.87 1i9y s PHE 651 Cb -0.17 -1.44 -0.03 0.00 0.51 0.00 0.00 43.02 41.89 1i9y s PHE 651 CO 0.06 0.24 0.06 0.00 0.70 0.00 0.00 175.22 176.28 1i9y s LYS 653 N -3.96 3.79 0.33 0.00 1.02 -0.56 -0.70 119.74 119.67 1i9y s LYS 653 Ca 0.13 1.85 0.07 0.00 0.02 0.00 0.00 55.97 58.04 1i9y s LYS 653 Cb 0.07 -2.48 0.75 0.00 -0.52 0.00 0.00 37.83 35.65 1i9y s LYS 653 CO -0.06 -0.55 1.84 0.93 -0.92 0.00 0.00 175.35 176.59 1i9y h GLU 654 N 2.17 0.75 0.00 1.68 5.08 -1.67 -0.26 114.58 122.33 1i9y h GLU 654 Ca -0.49 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 57.82 1i9y h GLU 654 Cb 1.25 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.33 1i9y h GLU 654 CO 0.61 0.49 0.00 0.66 -1.00 0.00 0.00 179.01 179.77 1i9y h SER 655 N 0.77 0.00 0.97 1.42 4.64 -1.90 -1.79 113.55 117.66 1i9y h SER 655 Ca 0.49 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.65 1i9y h SER 655 Cb 0.74 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.80 1i9y h SER 655 CO -0.26 0.00 -1.09 0.00 -0.87 0.00 0.00 176.83 174.61 1i9y h LEU 657 N 0.00 -0.83 -2.37 0.00 3.38 -1.33 0.16 115.31 114.32 1i9y h LEU 657 Ca -0.10 0.24 0.03 0.00 0.09 0.00 0.00 57.88 58.13 1i9y h LEU 657 Cb 1.60 0.51 -0.00 0.00 0.09 0.00 0.00 40.66 42.86 1i9y h LEU 657 CO 0.07 -0.27 0.15 1.55 0.09 0.00 0.00 178.44 180.03 1i9y h PRO 658 N -0.03 0.00 0.00 1.13 0.13 -1.77 0.15 132.00 131.61 1i9y h PRO 658 Ca 0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.48 1i9y h PRO 658 Cb 0.57 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.70 1i9y h PRO 658 CO -0.79 0.00 -0.33 0.77 -0.23 0.00 0.00 178.00 177.42 1i9y h SER 659 N 0.00 0.00 -3.41 1.44 0.02 -1.25 -3.46 113.55 106.89 1i9y h SER 659 Ca 0.05 -0.02 -0.59 0.00 -0.84 0.00 0.00 61.79 60.38 1i9y h SER 659 Cb 0.34 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 62.78 1i9y h SER 659 CO -0.00 0.01 0.16 -0.63 -1.14 0.00 0.00 176.83 175.23 1i9y s ILE 660 N -3.23 5.00 0.16 3.27 1.01 0.04 -0.33 121.20 127.11 1i9y s ILE 660 Ca 0.05 1.24 0.00 0.00 0.00 0.00 0.00 60.65 61.94 1i9y s ILE 660 Cb 0.08 -3.97 -0.04 0.00 0.01 0.00 0.00 42.46 38.54 1i9y s ILE 660 CO 0.70 0.09 0.04 -0.54 0.00 0.00 0.00 174.94 175.23 1i9y s LYS 661 N 2.03 1.04 -1.43 2.79 -0.14 0.11 -4.91 119.74 119.24 1i9y s LYS 661 Ca 0.30 -1.51 -0.08 0.00 -1.36 0.00 0.00 55.97 53.32 1i9y s LYS 661 Cb -0.16 0.03 0.05 0.00 -1.68 0.00 0.00 37.83 36.07 1i9y s LYS 661 CO 0.10 -0.22 0.86 0.09 -0.76 0.00 0.00 175.35 175.41 1i9y n ASN 662 N -0.18 -3.20 -4.70 2.83 3.02 -1.26 -0.33 115.26 111.44 1i9y n ASN 662 Ca -0.05 -0.80 -0.42 0.00 -0.03 0.00 0.00 54.58 53.28 1i9y n ASN 662 Cb 0.64 -3.97 -0.03 0.00 -0.61 0.00 0.00 39.78 35.81 1i9y n ASN 662 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1i9y s VAL 663 N -3.47 3.75 0.05 2.41 1.01 -1.26 -4.35 120.40 118.53 1i9y s VAL 663 Ca 0.37 1.17 0.03 0.00 0.00 0.00 0.00 61.98 63.55 1i9y s VAL 663 Cb -0.18 -3.75 -0.02 0.00 0.00 0.00 0.00 36.38 32.42 1i9y s VAL 663 CO 0.82 0.02 -0.10 -1.61 0.00 0.00 0.00 175.10 174.23 1i9y s GLU 664 N 2.03 0.67 0.10 2.72 2.02 -0.55 -5.00 118.70 120.69 1i9y s GLU 664 Ca 0.62 -0.77 0.03 0.00 0.02 0.00 0.00 54.97 54.88 1i9y s GLU 664 Cb -0.31 -0.56 -0.04 0.00 0.10 0.00 0.00 34.13 33.32 1i9y s GLU 664 CO 0.27 0.12 -0.09 0.20 0.02 0.00 0.00 175.26 175.78 1i9y s GLY 665 N -1.43 0.83 0.29 -1.39 0.00 -1.26 -1.20 107.32 103.15 1i9y s GLY 665 Ca -0.05 -1.25 -0.20 0.00 0.00 0.00 0.00 44.72 43.22 1i9y s GLY 665 CO 0.01 -1.34 0.76 -1.08 0.00 0.00 0.00 173.10 171.45 1i9y s THR 666 N -2.87 0.00 0.10 0.90 -1.32 -0.13 -4.85 115.64 107.46 1i9y s THR 666 Ca 0.08 -0.96 -0.01 0.00 -1.21 0.00 0.00 61.69 59.58 1i9y s THR 666 Cb -0.00 -2.20 -0.04 0.00 -1.51 0.00 0.00 72.50 68.76 1i9y s THR 666 CO -0.01 0.00 0.03 0.68 -2.21 0.00 0.00 174.62 173.11 1i9y s VAL 667 N -3.51 0.15 -0.19 5.08 -7.23 -1.26 -0.40 120.40 113.04 1i9y s VAL 667 Ca 0.12 -1.83 -0.07 0.00 -1.81 0.00 0.00 61.98 58.39 1i9y s VAL 667 Cb -0.05 -1.82 0.08 0.00 0.56 0.00 0.00 36.38 35.15 1i9y s VAL 667 CO 0.07 -0.67 0.40 -0.75 -0.31 0.00 0.00 175.10 173.84 1i9y s LYS 668 N -3.99 0.31 0.50 4.82 2.47 0.22 -4.84 119.74 119.23 1i9y s LYS 668 Ca 0.17 0.97 -0.14 0.00 -1.56 0.00 0.00 55.97 55.41 1i9y s LYS 668 Cb 0.07 0.25 -0.07 0.00 -1.46 0.00 0.00 37.83 36.62 1i9y s LYS 668 CO -0.03 -0.24 0.93 -1.59 0.16 0.00 0.00 175.35 174.58 1i9y s LYS 669 N 2.43 3.84 0.46 4.03 -2.85 -1.26 0.21 119.74 126.61 1i9y s LYS 669 Ca -0.02 0.78 -0.07 0.00 -1.00 0.00 0.00 55.97 55.66 1i9y s LYS 669 Cb -0.12 -2.20 -0.04 0.00 -2.06 0.00 0.00 37.83 33.41 1i9y s LYS 669 CO -0.12 -0.25 0.78 0.95 0.10 0.00 0.00 175.35 176.80 1i9y s THR 670 N -2.65 4.88 0.00 3.79 -4.23 -0.80 -4.85 115.64 111.78 1i9y s THR 670 Ca 0.56 0.31 0.00 0.00 -1.18 0.00 0.00 61.69 61.38 1i9y s THR 670 Cb -0.10 -3.83 0.00 0.00 1.34 0.00 0.00 72.50 69.91 1i9y s THR 670 CO 0.35 -0.76 0.00 0.61 -0.54 0.00 0.00 174.62 174.28 1i9y n GLY 671 N -2.00 1.23 4.12 3.99 0.00 -1.26 -4.88 105.19 106.40 1i9y n GLY 671 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1i9y n GLY 671 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1i9y n LEU 672 N 0.00 0.00 0.00 0.99 -0.00 -1.26 -5.08 117.00 111.65 1i9y n LEU 672 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1i9y n LEU 672 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 1i9y n LEU 672 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.00 1i9y n GLY 677 N -0.53 3.73 0.53 -3.96 0.00 -1.26 -5.26 105.19 98.44 1i9y n GLY 677 Ca 0.00 -1.44 0.08 0.00 0.00 0.00 0.00 46.02 44.66 1i9y n GLY 677 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1i9y n ASN 678 N 0.00 3.10 -4.83 1.61 3.02 -1.26 -5.02 115.26 111.88 1i9y n ASN 678 Ca 0.00 -2.75 -0.22 0.00 -0.03 0.00 0.00 54.58 51.58 1i9y n ASN 678 Cb 0.00 -0.40 -0.04 0.00 -0.61 0.00 0.00 39.78 38.73 1i9y n ASN 678 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1i9y s LYS 679 N -2.33 2.93 0.00 3.52 -0.14 -1.26 -4.66 119.74 117.80 1i9y s LYS 679 Ca 0.31 -1.06 0.00 0.00 -1.36 0.00 0.00 55.97 53.86 1i9y s LYS 679 Cb 0.25 -2.57 0.00 0.00 -1.68 0.00 0.00 37.83 33.83 1i9y s LYS 679 CO 0.07 0.38 0.00 0.41 -0.76 0.00 0.00 175.35 175.45 1i9y n GLY 680 N -1.20 -0.13 3.06 -3.33 0.00 -0.35 -1.91 105.19 101.33 1i9y n GLY 680 Ca -0.07 -1.26 -0.12 0.00 0.00 0.00 0.00 46.02 44.56 1i9y n GLY 680 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i9y s ALA 681 N -1.00 0.56 -0.04 4.61 0.00 0.13 -0.94 121.76 125.07 1i9y s ALA 681 Ca 0.00 -0.83 0.04 0.00 0.00 0.00 0.00 51.96 51.18 1i9y s ALA 681 Cb 0.00 0.08 -0.00 0.00 0.00 0.00 0.00 23.12 23.19 1i9y s ALA 681 CO 0.00 -0.08 -0.18 0.08 0.00 0.00 0.00 175.76 175.59 1i9y s VAL 682 N -1.74 1.47 0.02 0.00 1.01 0.01 -0.61 120.40 120.57 1i9y s VAL 682 Ca -0.08 -0.74 0.01 0.00 0.00 0.00 0.00 61.98 61.18 1i9y s VAL 682 Cb -0.08 -1.26 -0.02 0.00 0.00 0.00 0.00 36.38 35.03 1i9y s VAL 682 CO -0.01 0.42 -0.05 0.00 0.00 0.00 0.00 175.10 175.46 1i9y s ALA 683 N 0.01 0.36 -0.01 5.51 0.00 0.46 -1.04 121.76 127.05 1i9y s ALA 683 Ca -0.03 -0.54 0.00 0.00 0.00 0.00 0.00 51.96 51.39 1i9y s ALA 683 Cb -0.11 0.04 0.02 0.00 0.00 0.00 0.00 23.12 23.07 1i9y s ALA 683 CO 0.02 -0.03 0.02 0.42 0.00 0.00 0.00 175.76 176.19 1i9y s ILE 684 N -1.03 -0.03 0.21 0.00 1.01 0.03 -0.96 121.20 120.44 1i9y s ILE 684 Ca -0.08 0.14 0.06 0.00 0.00 0.00 0.00 60.65 60.76 1i9y s ILE 684 Cb -0.07 -0.06 -0.05 0.00 0.01 0.00 0.00 42.46 42.28 1i9y s ILE 684 CO -0.00 0.06 -0.09 0.00 0.00 0.00 0.00 174.94 174.91 1i9y s ARG 685 N 0.69 1.31 0.03 2.79 1.04 -0.34 -0.19 118.95 124.27 1i9y s ARG 685 Ca -0.06 -1.61 -0.28 0.00 -1.04 0.00 0.00 55.73 52.74 1i9y s ARG 685 Cb -0.08 -0.90 0.09 0.00 -2.04 0.00 0.00 34.95 32.03 1i9y s ARG 685 CO -0.02 0.07 0.96 -0.59 -0.04 0.00 0.00 175.30 175.68 1i9y s PHE 686 N -3.16 -0.24 -0.15 5.89 -0.12 -0.30 -1.48 117.98 118.41 1i9y s PHE 686 Ca 0.24 0.07 -0.06 0.00 -0.05 0.00 0.00 56.93 57.12 1i9y s PHE 686 Cb 0.02 0.57 -0.04 0.00 -0.63 0.00 0.00 43.02 42.94 1i9y s PHE 686 CO 0.07 -0.59 0.07 -0.51 -0.05 0.00 0.00 175.22 174.20 1i9y s ASP 687 N -2.63 5.71 -0.35 1.98 1.01 0.55 -0.52 116.67 122.42 1i9y s ASP 687 Ca 0.08 0.18 -0.08 0.00 0.71 0.00 0.00 52.55 53.44 1i9y s ASP 687 Cb -0.01 -1.88 0.03 0.00 1.01 0.00 0.00 42.92 42.08 1i9y s ASP 687 CO -0.05 0.27 0.15 -0.47 0.21 0.00 0.00 175.17 175.28 1i9y s TYR 688 N -0.21 3.25 0.00 4.23 5.04 0.53 -0.71 117.35 129.47 1i9y s TYR 688 Ca 0.08 -1.22 0.00 0.00 -2.44 0.00 0.00 57.07 53.49 1i9y s TYR 688 Cb -0.12 -2.34 0.00 0.00 0.35 0.00 0.00 41.96 39.85 1i9y s TYR 688 CO 0.01 -0.69 0.00 0.39 -1.34 0.00 0.00 175.55 173.92 1i9y n GLU 689 N 4.89 0.00 -0.76 4.97 -0.58 0.55 -0.87 120.64 128.84 1i9y n GLU 689 Ca -0.12 0.00 0.08 0.00 -0.42 0.00 0.00 57.16 56.69 1i9y n GLU 689 Cb 0.45 0.00 0.36 0.00 -0.57 0.00 0.00 31.44 31.69 1i9y n GLU 689 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1i9y n ASP 690 N 6.22 5.19 -4.47 1.62 9.92 0.25 -4.89 116.55 130.39 1i9y n ASP 690 Ca 0.00 -2.94 -0.33 0.00 -0.53 0.00 0.00 54.79 50.99 1i9y n ASP 690 Cb 0.00 -0.64 -0.13 0.00 -0.64 0.00 0.00 41.12 39.71 1i9y n ASP 690 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 1i9y s THR 691 N -2.75 3.70 -0.12 -3.53 2.01 -0.04 -4.84 115.64 110.07 1i9y s THR 691 Ca 0.51 -0.43 -0.17 0.00 0.31 0.00 0.00 61.69 61.91 1i9y s THR 691 Cb 0.39 -2.61 -0.04 0.00 0.01 0.00 0.00 72.50 70.25 1i9y s THR 691 CO 0.14 0.50 0.44 -0.83 -0.69 0.00 0.00 174.62 174.18 1i9y s GLY 692 N 0.32 2.36 -0.00 4.40 0.00 -1.26 -0.35 107.32 112.79 1i9y s GLY 692 Ca -0.05 -0.24 0.07 0.00 0.00 0.00 0.00 44.72 44.49 1i9y s GLY 692 CO 0.04 0.67 -0.21 1.08 0.00 0.00 0.00 173.10 174.67 1i9y s LEU 693 N 0.50 2.07 -0.05 0.66 1.02 0.33 -0.96 118.68 122.25 1i9y s LEU 693 Ca 0.24 -0.43 0.01 0.00 0.02 0.00 0.00 54.13 53.97 1i9y s LEU 693 Cb -0.15 -1.08 0.02 0.00 0.02 0.00 0.00 46.19 45.00 1i9y s LEU 693 CO 0.09 0.24 -0.04 0.00 0.02 0.00 0.00 176.35 176.66 1i9y s PHE 695 N 0.99 2.60 -0.07 0.00 0.40 0.73 -1.28 117.98 121.35 1i9y s PHE 695 Ca -0.10 -0.82 0.01 0.00 -0.60 0.00 0.00 56.93 55.42 1i9y s PHE 695 Cb -0.14 -1.71 0.02 0.00 0.51 0.00 0.00 43.02 41.70 1i9y s PHE 695 CO -0.00 -0.29 -0.09 0.42 0.70 0.00 0.00 175.22 175.96 1i9y s ILE 696 N 0.16 0.93 0.19 0.64 1.01 -0.02 -0.79 121.20 123.32 1i9y s ILE 696 Ca -0.12 -0.33 0.09 0.00 0.00 0.00 0.00 60.65 60.30 1i9y s ILE 696 Cb -0.16 -0.89 -0.04 0.00 0.01 0.00 0.00 42.46 41.37 1i9y s ILE 696 CO 0.06 0.32 -0.12 0.28 0.00 0.00 0.00 174.94 175.48 1i9y s THR 697 N 0.95 3.02 0.21 2.92 -1.32 -0.20 -0.25 115.64 120.96 1i9y s THR 697 Ca -0.10 -1.74 -0.16 0.00 -1.21 0.00 0.00 61.69 58.48 1i9y s THR 697 Cb -0.15 -2.49 0.02 0.00 -1.51 0.00 0.00 72.50 68.37 1i9y s THR 697 CO 0.00 -0.12 0.49 -0.44 -2.21 0.00 0.00 174.62 172.35 1i9y s SER 698 N -2.82 -0.19 -0.18 8.08 0.01 -0.46 -0.81 113.70 117.34 1i9y s SER 698 Ca 0.24 -0.62 -0.05 0.00 1.31 0.00 0.00 55.95 56.83 1i9y s SER 698 Cb -0.09 0.57 0.07 0.00 0.21 0.00 0.00 66.02 66.79 1i9y s SER 698 CO 0.14 -1.07 0.14 -2.28 0.41 0.00 0.00 173.24 170.59 1i9y s HIS 699 N -3.91 -0.00 0.47 2.43 2.46 -0.12 -1.39 115.29 115.22 1i9y s HIS 699 Ca 0.13 -0.08 0.08 0.00 0.47 0.00 0.00 55.06 55.66 1i9y s HIS 699 Cb -0.01 -0.55 0.03 0.00 -0.13 0.00 0.00 32.58 31.93 1i9y s HIS 699 CO 0.00 -0.54 0.64 -0.51 -2.47 0.00 0.00 174.74 171.86 1i9y s LEU 700 N 2.22 3.49 0.15 8.88 1.43 -0.33 -1.21 118.68 133.30 1i9y s LEU 700 Ca 0.04 -0.53 -0.34 0.00 -1.03 0.00 0.00 54.13 52.27 1i9y s LEU 700 Cb -0.16 -2.37 -0.16 0.00 0.03 0.00 0.00 46.19 43.53 1i9y s LEU 700 CO -0.10 -0.94 1.13 0.00 0.23 0.00 0.00 176.35 176.67 1i9y n ALA 701 N -1.98 -1.25 -2.17 4.21 0.00 -1.26 -4.67 120.51 113.40 1i9y n ALA 701 Ca 0.10 0.48 -0.25 0.00 0.00 0.00 0.00 53.44 53.77 1i9y n ALA 701 Cb 0.60 -1.98 0.02 0.00 0.00 0.00 0.00 19.45 18.10 1i9y n ALA 701 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1i9y s ALA 702 N -0.15 3.50 0.00 0.00 0.00 -1.26 -4.70 121.76 119.14 1i9y s ALA 702 Ca 0.76 -0.86 0.00 0.00 0.00 0.00 0.00 51.96 51.86 1i9y s ALA 702 Cb -0.91 -2.41 0.00 0.00 0.00 0.00 0.00 23.12 19.80 1i9y s ALA 702 CO 0.52 -0.64 0.00 0.41 0.00 0.00 0.00 175.76 176.05 1i9y n GLY 703 N -2.39 3.95 0.20 0.00 0.00 -1.26 -4.86 105.19 100.83 1i9y n GLY 703 Ca 0.03 -1.54 -0.10 0.00 0.00 0.00 0.00 46.02 44.41 1i9y n GLY 703 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1i9y h TYR 704 N 0.00 -0.37 0.00 1.61 3.20 -1.96 -3.39 116.97 116.06 1i9y h TYR 704 Ca 0.00 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.86 1i9y h TYR 704 Cb 0.00 0.12 0.00 0.00 1.54 0.00 0.00 36.73 38.39 1i9y h TYR 704 CO 0.00 -0.05 -1.04 0.25 -1.64 0.00 0.00 178.16 175.68 1i9y n THR 705 N -5.06 0.10 -0.86 1.81 -2.24 -1.26 -4.66 114.28 102.11 1i9y n THR 705 Ca -0.08 -0.18 -0.17 0.00 -2.27 0.00 0.00 64.05 61.35 1i9y n THR 705 Cb 0.25 0.38 -0.09 0.00 -2.10 0.00 0.00 70.33 68.77 1i9y n THR 705 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1i9y n ASN 706 N -1.83 5.05 0.20 3.42 6.94 -1.26 -4.40 115.26 123.39 1i9y n ASN 706 Ca 0.02 -2.32 0.15 0.00 -0.02 0.00 0.00 54.58 52.41 1i9y n ASN 706 Cb 0.41 -1.17 0.57 0.00 -2.36 0.00 0.00 39.78 37.23 1i9y n ASN 706 CO 0.00 0.00 0.00 0.10 -1.03 0.00 0.00 177.26 176.33 1i9y h TYR 707 N 4.45 0.00 -0.66 -2.53 -0.00 -1.89 -2.64 116.97 113.69 1i9y h TYR 707 Ca 0.35 0.00 -0.07 0.00 0.00 0.00 0.00 58.73 59.00 1i9y h TYR 707 Cb 0.81 0.00 -0.03 0.00 0.00 0.00 0.00 36.73 37.51 1i9y h TYR 707 CO 1.73 0.00 0.12 -0.44 -0.00 0.00 0.00 178.16 179.57 1i9y h ASP 708 N 0.00 1.03 -0.52 0.10 3.32 -2.00 0.78 116.42 119.13 1i9y h ASP 708 Ca 0.00 -0.24 -0.11 0.00 0.02 0.00 0.00 57.03 56.71 1i9y h ASP 708 Cb 0.47 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.73 1i9y h ASP 708 CO 0.00 1.02 -0.08 -0.08 -1.72 0.00 0.00 179.24 178.38 1i9y h GLU 709 N 1.02 0.99 -0.75 3.56 4.81 -1.85 -1.21 114.58 121.15 1i9y h GLU 709 Ca 0.20 -0.34 0.00 0.00 -0.13 0.00 0.00 59.36 59.09 1i9y h GLU 709 Cb 0.42 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.68 1i9y h GLU 709 CO 0.01 1.02 0.49 -0.09 -0.73 0.00 0.00 179.01 179.71 1i9y h ARG 710 N 0.89 1.00 -0.37 1.92 9.65 -1.24 0.14 114.38 126.38 1i9y h ARG 710 Ca 0.15 -0.07 -0.09 0.00 -1.10 0.00 0.00 59.98 58.87 1i9y h ARG 710 Cb 0.63 -0.22 -0.02 0.00 -1.39 0.00 0.00 29.97 28.97 1i9y h ARG 710 CO 0.04 0.68 -0.15 -0.44 2.80 0.00 0.00 179.97 182.90 1i9y h ASP 711 N 1.02 0.67 -0.60 -3.80 3.45 -0.41 -0.78 116.42 115.97 1i9y h ASP 711 Ca 0.27 -0.20 -0.08 0.00 0.43 0.00 0.00 57.03 57.45 1i9y h ASP 711 Cb -0.09 -0.18 -0.02 0.00 -0.56 0.00 0.00 39.33 38.47 1i9y h ASP 711 CO -0.06 0.84 0.06 -0.74 -1.57 0.00 0.00 179.24 177.77 1i9y h HIS 712 N 0.61 1.12 -0.55 4.55 2.76 -0.69 -2.01 115.15 120.94 1i9y h HIS 712 Ca 0.10 -0.17 0.01 0.00 -2.20 0.00 0.00 60.37 58.12 1i9y h HIS 712 Cb 0.60 -0.30 -0.03 0.00 1.55 0.00 0.00 27.41 29.23 1i9y h HIS 712 CO 0.03 0.96 0.35 -0.44 -1.30 0.00 0.00 177.93 177.53 1i9y h ASP 713 N 0.97 0.60 -0.09 3.26 3.32 -0.20 0.23 116.42 124.52 1i9y h ASP 713 Ca 0.19 -0.01 0.04 0.00 0.02 0.00 0.00 57.03 57.27 1i9y h ASP 713 Cb 0.48 -0.14 -0.05 0.00 0.22 0.00 0.00 39.33 39.84 1i9y h ASP 713 CO 0.02 0.43 -0.19 0.22 -1.72 0.00 0.00 179.24 177.99 1i9y h TYR 714 N 0.71 -0.50 -0.68 4.55 3.20 -0.83 -1.01 116.97 122.41 1i9y h TYR 714 Ca 0.21 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.09 1i9y h TYR 714 Cb -0.04 0.24 -0.03 0.00 1.54 0.00 0.00 36.73 38.43 1i9y h TYR 714 CO -0.05 -0.27 0.38 0.00 -1.64 0.00 0.00 178.16 176.59 1i9y h ARG 715 N -0.26 0.95 -0.70 1.82 3.08 -0.52 0.16 114.38 118.90 1i9y h ARG 715 Ca 0.09 -0.11 0.02 0.00 0.07 0.00 0.00 59.98 60.05 1i9y h ARG 715 Cb 0.39 -0.19 -0.04 0.00 0.08 0.00 0.00 29.97 30.21 1i9y h ARG 715 CO -0.24 0.70 0.46 1.15 -1.07 0.00 0.00 179.97 180.97 1i9y h THR 716 N 0.94 1.15 -0.04 2.04 2.02 -0.32 -1.01 112.91 117.69 1i9y h THR 716 Ca 0.24 -0.32 -0.05 0.00 0.77 0.00 0.00 66.41 67.06 1i9y h THR 716 Cb 0.02 0.15 0.00 0.00 -1.74 0.00 0.00 68.15 66.59 1i9y h THR 716 CO -0.04 0.17 -0.17 0.40 0.37 0.00 0.00 175.52 176.25 1i9y h ILE 717 N 0.92 1.46 -0.82 3.11 2.04 -0.81 0.23 117.51 123.64 1i9y h ILE 717 Ca 0.27 -1.61 -0.01 0.00 1.00 0.00 0.00 64.86 64.51 1i9y h ILE 717 Cb -0.06 2.40 -0.04 0.00 -0.74 0.00 0.00 36.82 38.38 1i9y h ILE 717 CO -0.07 0.44 0.47 0.00 0.00 0.00 0.00 178.15 178.99 1i9y h ALA 718 N 0.41 1.30 0.06 1.87 0.00 -0.56 0.29 119.26 122.62 1i9y h ALA 718 Ca -0.01 -0.10 -0.24 0.00 0.00 0.00 0.00 54.91 54.56 1i9y h ALA 718 Cb 0.81 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1i9y h ALA 718 CO 0.03 0.59 -1.11 0.77 0.00 0.00 0.00 179.25 179.54 1i9y h SER 719 N 1.13 0.19 1.30 0.00 0.02 -1.23 -3.38 113.55 111.58 1i9y h SER 719 Ca 0.29 -0.20 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 1i9y h SER 719 Cb -0.02 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.46 1i9y h SER 719 CO -0.05 1.16 -0.67 1.23 -1.14 0.00 0.00 176.83 177.36 1i9y h GLY 720 N 2.36 0.00 -5.08 -3.77 0.00 0.05 -3.45 103.07 93.17 1i9y h GLY 720 Ca -0.07 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 46.70 1i9y h GLY 720 CO 0.16 0.00 0.87 -2.27 0.00 0.00 0.00 176.54 175.31 1i9y s LEU 721 N -5.55 4.21 -0.04 3.11 2.96 0.04 -4.92 118.68 118.49 1i9y s LEU 721 Ca 0.02 1.75 -0.01 0.00 -0.22 0.00 0.00 54.13 55.67 1i9y s LEU 721 Cb 0.08 -3.54 0.03 0.00 0.50 0.00 0.00 46.19 43.27 1i9y s LEU 721 CO 0.75 -0.74 0.08 -0.13 -1.32 0.00 0.00 176.35 174.99 1i9y s ARG 722 N 3.27 0.01 0.00 1.98 1.81 -1.26 -4.27 118.95 120.48 1i9y s ARG 722 Ca 0.56 0.28 0.00 0.00 -1.72 0.00 0.00 55.73 54.85 1i9y s ARG 722 Cb -0.23 -0.24 0.00 0.00 -0.45 0.00 0.00 34.95 34.03 1i9y s ARG 722 CO 0.17 -0.19 0.00 1.19 -0.68 0.00 0.00 175.30 175.79 1i9y n PHE 723 N 4.32 0.00 -2.71 -0.53 3.01 -0.21 -4.78 117.46 116.55 1i9y n PHE 723 Ca -0.25 0.00 -0.34 0.00 1.01 0.00 0.00 57.45 57.87 1i9y n PHE 723 Cb 0.51 0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 39.92 1i9y n PHE 723 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 1i9y s ARG 724 N 2.76 4.11 -1.77 -1.08 0.52 -1.26 -3.64 118.95 118.59 1i9y s ARG 724 Ca 0.00 1.24 0.00 0.00 -0.52 0.00 0.00 55.73 56.45 1i9y s ARG 724 Cb 0.00 -2.21 0.00 0.00 0.52 0.00 0.00 34.95 33.26 1i9y s ARG 724 CO 0.00 -0.15 0.00 0.54 0.02 0.00 0.00 175.30 175.71 1i9y n ARG 725 N -0.63 -1.68 -1.05 3.54 1.74 -1.26 -1.53 116.66 115.79 1i9y n ARG 725 Ca 0.07 1.00 -0.02 0.00 -0.77 0.00 0.00 57.85 58.13 1i9y n ARG 725 Cb 0.53 -5.56 -0.01 0.00 -1.02 0.00 0.00 32.46 26.40 1i9y n ARG 725 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1i9y n GLY 726 N -0.78 0.44 3.70 -0.13 0.00 -1.24 -4.97 105.19 102.20 1i9y n GLY 726 Ca -0.22 -0.12 -0.44 0.00 0.00 0.00 0.00 46.02 45.24 1i9y n GLY 726 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1i9y n ARG 727 N -1.56 2.34 -2.87 1.61 0.63 -0.58 -4.72 116.66 111.52 1i9y n ARG 727 Ca -0.02 0.84 -0.20 0.00 -0.92 0.00 0.00 57.85 57.55 1i9y n ARG 727 Cb 0.23 -2.58 0.07 0.00 0.45 0.00 0.00 32.46 30.63 1i9y n ARG 727 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 1i9y s SER 728 N 0.62 4.97 0.37 6.15 1.04 -1.26 -1.05 113.70 124.54 1i9y s SER 728 Ca 0.71 -0.59 0.20 0.00 0.48 0.00 0.00 55.95 56.75 1i9y s SER 728 Cb -0.60 -0.01 0.52 0.00 0.10 0.00 0.00 66.02 66.04 1i9y s SER 728 CO 0.44 -1.40 1.65 0.16 0.98 0.00 0.00 173.24 175.07 1i9y h ILE 729 N 0.03 0.68 0.00 -1.02 3.07 -1.86 -3.26 117.51 115.14 1i9y h ILE 729 Ca -0.34 -1.59 0.00 0.00 1.55 0.00 0.00 64.86 64.48 1i9y h ILE 729 Cb 1.28 2.06 0.00 0.00 -0.27 0.00 0.00 36.82 39.89 1i9y h ILE 729 CO 0.42 0.33 0.00 -0.26 -1.05 0.00 0.00 178.15 177.59 1i9y h PHE 730 N 0.00 0.00 0.00 0.16 -1.00 -1.94 -3.36 116.94 110.79 1i9y h PHE 730 Ca -0.00 0.00 -0.27 0.00 2.81 0.00 0.00 57.97 60.50 1i9y h PHE 730 Cb 1.03 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 40.56 1i9y h PHE 730 CO 0.00 0.00 0.98 0.09 -1.61 0.00 0.00 178.31 177.77 1i9y n ASN 731 N -3.03 4.97 -3.76 2.17 5.03 -1.23 -4.81 115.26 114.60 1i9y n ASN 731 Ca 0.03 -2.32 -0.12 0.00 0.87 0.00 0.00 54.58 53.04 1i9y n ASN 731 Cb 0.43 -1.17 -0.08 0.00 -1.02 0.00 0.00 39.78 37.94 1i9y n ASN 731 CO 0.00 0.00 0.00 -1.00 -1.83 0.00 0.00 177.26 174.43 1i9y s HIS 732 N 1.93 -0.10 0.09 3.10 3.76 -1.26 -4.97 115.29 117.83 1i9y s HIS 732 Ca 0.52 -0.01 -0.16 0.00 -0.15 0.00 0.00 55.06 55.26 1i9y s HIS 732 Cb 0.21 0.09 -0.08 0.00 1.11 0.00 0.00 32.58 33.90 1i9y s HIS 732 CO -0.02 -0.49 1.44 -0.44 -0.85 0.00 0.00 174.74 174.39 1i9y h ASP 733 N 3.31 0.67 -3.58 1.40 3.32 -1.36 -3.43 116.42 116.74 1i9y h ASP 733 Ca -0.31 -0.44 -0.53 0.00 0.02 0.00 0.00 57.03 55.76 1i9y h ASP 733 Cb 1.20 -0.19 -0.33 0.00 0.22 0.00 0.00 39.33 40.23 1i9y h ASP 733 CO 0.45 0.96 -0.82 -0.31 -1.72 0.00 0.00 179.24 177.80 1i9y s TYR 734 N -4.48 1.58 -0.06 4.55 4.12 -0.50 -4.12 117.35 118.43 1i9y s TYR 734 Ca -0.13 -0.54 0.03 0.00 0.02 0.00 0.00 57.07 56.45 1i9y s TYR 734 Cb 0.08 -1.11 0.01 0.00 -1.52 0.00 0.00 41.96 39.42 1i9y s TYR 734 CO 0.81 -0.24 -0.13 0.08 0.02 0.00 0.00 175.55 176.08 1i9y s VAL 735 N 0.42 1.19 -0.12 0.71 1.01 -0.09 -0.47 120.40 123.05 1i9y s VAL 735 Ca -0.11 -0.52 0.02 0.00 0.00 0.00 0.00 61.98 61.37 1i9y s VAL 735 Cb -0.14 -1.07 0.01 0.00 0.00 0.00 0.00 36.38 35.18 1i9y s VAL 735 CO 0.03 0.36 -0.17 -0.69 0.00 0.00 0.00 175.10 174.64 1i9y s VAL 736 N 0.56 1.66 -0.09 2.92 1.01 -0.40 0.29 120.40 126.35 1i9y s VAL 736 Ca -0.13 -0.74 0.02 0.00 0.00 0.00 0.00 61.98 61.13 1i9y s VAL 736 Cb -0.15 -1.50 0.01 0.00 0.00 0.00 0.00 36.38 34.74 1i9y s VAL 736 CO 0.04 0.47 -0.15 0.86 0.00 0.00 0.00 175.10 176.32 1i9y s TRP 737 N 0.97 1.83 0.29 5.22 -0.11 -0.30 -0.84 118.94 126.00 1i9y s TRP 737 Ca -0.06 -0.76 -0.14 0.00 1.22 0.00 0.00 56.10 56.36 1i9y s TRP 737 Cb -0.15 -1.31 0.01 0.00 -1.50 0.00 0.00 33.47 30.53 1i9y s TRP 737 CO -0.02 -0.37 0.60 -0.59 -4.62 0.00 0.00 176.95 171.94 1i9y s PHE 738 N 0.73 0.25 -4.65 5.86 -0.12 0.65 -1.61 117.98 119.10 1i9y s PHE 738 Ca -0.12 -0.68 0.00 0.00 -0.05 0.00 0.00 56.93 56.08 1i9y s PHE 738 Cb -0.16 0.41 0.00 0.00 -0.63 0.00 0.00 43.02 42.64 1i9y s PHE 738 CO 0.03 -1.18 0.00 0.41 -0.05 0.00 0.00 175.22 174.43 1i9y n GLY 739 N -0.45 0.78 3.37 1.99 0.00 0.23 -1.36 105.19 109.75 1i9y n GLY 739 Ca -0.03 -1.71 -0.46 0.00 0.00 0.00 0.00 46.02 43.82 1i9y n GLY 739 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1i9y s ASP 740 N -4.00 6.72 0.07 1.61 -1.08 -0.49 -1.20 116.67 118.31 1i9y s ASP 740 Ca 0.00 -2.49 0.27 0.00 -0.52 0.00 0.00 52.55 49.81 1i9y s ASP 740 Cb 0.00 -2.27 1.06 0.00 -1.46 0.00 0.00 42.92 40.25 1i9y s ASP 740 CO 0.00 -0.72 1.85 0.49 0.52 0.00 0.00 175.17 177.30 1i9y n PHE 741 N 4.76 0.30 -0.90 -5.34 3.72 -0.09 -1.19 117.46 118.71 1i9y n PHE 741 Ca 0.17 0.09 0.00 0.00 -0.05 0.00 0.00 57.45 57.66 1i9y n PHE 741 Cb 0.48 -0.65 0.00 0.00 -0.94 0.00 0.00 39.48 38.37 1i9y n PHE 741 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1i9y n ASN 742 N -1.75 -3.85 -4.77 4.37 3.02 -1.08 -4.47 115.26 106.74 1i9y n ASN 742 Ca 0.06 0.00 -0.38 0.00 -0.03 0.00 0.00 54.58 54.24 1i9y n ASN 742 Cb 0.35 -2.48 0.00 0.00 -0.61 0.00 0.00 39.78 37.05 1i9y n ASN 742 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1i9y s TYR 743 N -1.40 2.74 0.50 3.10 1.51 -1.26 -4.75 117.35 117.78 1i9y s TYR 743 Ca 0.00 1.49 0.04 0.00 -1.01 0.00 0.00 57.07 57.59 1i9y s TYR 743 Cb 0.00 -3.50 -0.01 0.00 -0.11 0.00 0.00 41.96 38.34 1i9y s TYR 743 CO 0.00 -1.87 0.12 1.03 -1.11 0.00 0.00 175.55 173.73 1i9y s ARG 744 N -2.70 2.19 -0.29 -0.62 1.81 -1.26 -3.82 118.95 114.26 1i9y s ARG 744 Ca 0.65 -2.21 -0.14 0.00 -1.72 0.00 0.00 55.73 52.31 1i9y s ARG 744 Cb -0.32 -1.74 -0.04 0.00 -0.45 0.00 0.00 34.95 32.41 1i9y s ARG 744 CO 0.39 -0.36 0.32 0.42 -0.68 0.00 0.00 175.30 175.39 1i9y s ILE 745 N -2.80 5.21 -0.37 1.52 1.01 -1.26 0.12 121.20 124.64 1i9y s ILE 745 Ca 0.20 0.35 -0.06 0.00 0.00 0.00 0.00 60.65 61.14 1i9y s ILE 745 Cb 0.02 -3.68 -0.20 0.00 0.01 0.00 0.00 42.46 38.61 1i9y s ILE 745 CO 0.11 0.13 3.14 -1.20 0.00 0.00 0.00 174.94 177.13 1i9y n SER 746 N 5.27 5.45 -3.94 3.58 7.64 0.44 -4.79 113.62 127.27 1i9y n SER 746 Ca -0.10 -2.40 -0.22 0.00 1.01 0.00 0.00 58.87 57.16 1i9y n SER 746 Cb 0.51 -1.31 -0.09 0.00 -1.01 0.00 0.00 64.21 62.32 1i9y n SER 746 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1i9y s LEU 747 N 0.04 1.84 0.58 -3.43 1.43 -1.26 -5.03 118.68 112.85 1i9y s LEU 747 Ca 0.60 -1.64 -0.04 0.00 -1.03 0.00 0.00 54.13 52.02 1i9y s LEU 747 Cb 0.25 0.12 0.02 0.00 0.03 0.00 0.00 46.19 46.61 1i9y s LEU 747 CO -0.01 -0.93 0.85 0.42 0.23 0.00 0.00 176.35 176.91 1i9y s THR 748 N -3.39 3.33 0.19 5.49 -4.23 -1.26 -4.90 115.64 110.87 1i9y s THR 748 Ca 0.31 -0.25 -0.11 0.00 -1.18 0.00 0.00 61.69 60.46 1i9y s THR 748 Cb 0.03 -3.31 0.11 0.00 1.34 0.00 0.00 72.50 70.68 1i9y s THR 748 CO 0.18 -0.29 1.80 0.22 -0.54 0.00 0.00 174.62 175.99 1i9y h TYR 749 N -0.10 0.57 0.00 3.99 3.20 -1.92 -0.60 116.97 122.11 1i9y h TYR 749 Ca -0.45 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.41 1i9y h TYR 749 Cb 1.27 -0.17 -0.00 0.00 1.54 0.00 0.00 36.73 39.37 1i9y h TYR 749 CO 0.43 0.27 -0.14 1.05 -1.64 0.00 0.00 178.16 178.13 1i9y h GLU 750 N 0.59 0.00 0.19 1.82 9.09 -1.97 -1.55 114.58 122.74 1i9y h GLU 750 Ca 0.26 0.00 -0.26 0.00 0.05 0.00 0.00 59.36 59.41 1i9y h GLU 750 Cb 0.16 0.00 0.03 0.00 -1.65 0.00 0.00 28.75 27.29 1i9y h GLU 750 CO -0.17 0.14 -1.17 0.93 0.05 0.00 0.00 179.01 178.79 1i9y h GLU 751 N 0.00 0.39 -0.06 1.06 5.08 -1.79 -3.38 114.58 115.87 1i9y h GLU 751 Ca -0.00 -0.67 -0.07 0.00 -1.00 0.00 0.00 59.36 57.62 1i9y h GLU 751 Cb 0.41 0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.91 1i9y h GLU 751 CO 0.02 1.32 -0.23 0.28 -1.00 0.00 0.00 179.01 179.40 1i9y h VAL 752 N -0.15 1.43 -0.32 3.13 2.07 -0.75 -3.19 116.25 118.48 1i9y h VAL 752 Ca -0.21 -1.63 0.04 0.00 0.82 0.00 0.00 66.70 65.71 1i9y h VAL 752 Cb 1.88 2.32 -0.04 0.00 -1.52 0.00 0.00 31.29 33.93 1i9y h VAL 752 CO 0.19 0.46 0.09 0.58 0.02 0.00 0.00 177.57 178.92 1i9y h VAL 753 N -0.24 0.88 0.00 2.57 2.07 -1.50 -0.01 116.25 120.02 1i9y h VAL 753 Ca -0.01 -0.08 -0.06 0.00 0.82 0.00 0.00 66.70 67.37 1i9y h VAL 753 Cb 0.87 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 31.27 1i9y h VAL 753 CO 0.05 0.04 -0.29 1.55 0.02 0.00 0.00 177.57 178.94 1i9y h PRO 754 N 0.22 0.00 -0.43 1.57 0.13 -1.74 -0.98 132.00 130.76 1i9y h PRO 754 Ca 0.15 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.21 1i9y h PRO 754 Cb 0.14 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.25 1i9y h PRO 754 CO -0.17 0.29 0.01 0.00 -0.23 0.00 0.00 178.00 177.90 1i9y h ILE 756 N 0.60 1.26 -0.91 0.00 -0.00 -0.44 0.11 117.51 118.13 1i9y h ILE 756 Ca 0.12 -1.08 0.19 0.00 -0.00 0.00 0.00 64.86 64.10 1i9y h ILE 756 Cb 0.47 1.09 -0.07 0.00 -0.00 0.00 0.00 36.82 38.30 1i9y h ILE 756 CO 0.02 0.37 0.59 0.00 -0.00 0.00 0.00 178.15 179.13 1i9y h ALA 757 N 0.89 2.08 -0.35 0.16 0.00 -0.94 0.18 119.26 121.29 1i9y h ALA 757 Ca 0.12 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1i9y h ALA 757 Cb 0.53 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1i9y h ALA 757 CO 0.03 -0.37 0.00 1.04 0.00 0.00 0.00 179.25 179.95 1i9y n GLN 758 N -4.55 1.91 -1.13 0.00 6.02 -0.13 -4.93 117.38 114.57 1i9y n GLN 758 Ca 0.19 -1.40 -0.04 0.00 -0.01 0.00 0.00 57.00 55.74 1i9y n GLN 758 Cb 0.64 -1.34 -0.02 0.00 1.02 0.00 0.00 30.24 30.54 1i9y n GLN 758 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1i9y n GLY 759 N 1.16 0.71 2.35 1.08 0.00 0.62 -4.91 105.19 106.20 1i9y n GLY 759 Ca 0.14 -0.48 -0.33 0.00 0.00 0.00 0.00 46.02 45.35 1i9y n GLY 759 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1i9y n LYS 760 N -2.42 3.49 -0.17 1.61 4.76 -0.06 -4.64 118.16 120.73 1i9y n LYS 760 Ca -0.04 -2.47 -0.09 0.00 -2.87 0.00 0.00 58.31 52.84 1i9y n LYS 760 Cb 0.20 -2.48 0.04 0.00 -1.84 0.00 0.00 35.03 30.95 1i9y n LYS 760 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1i9y h LEU 761 N 5.59 0.99 -1.00 -0.35 3.38 -1.91 -2.26 115.31 119.74 1i9y h LEU 761 Ca 0.61 -0.32 0.04 0.00 0.09 0.00 0.00 57.88 58.30 1i9y h LEU 761 Cb 0.58 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 41.00 1i9y h LEU 761 CO 1.24 1.09 0.65 0.28 0.09 0.00 0.00 178.44 181.80 1i9y h SER 762 N 0.89 1.09 -0.31 -0.43 0.02 -1.91 0.40 113.55 113.30 1i9y h SER 762 Ca 0.14 -0.01 -0.05 0.00 -0.84 0.00 0.00 61.79 61.04 1i9y h SER 762 Cb 0.65 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.93 1i9y h SER 762 CO 0.04 0.74 0.01 0.22 -1.14 0.00 0.00 176.83 176.70 1i9y h TYR 763 N 1.26 0.58 -0.71 3.45 3.20 -1.89 -2.70 116.97 120.16 1i9y h TYR 763 Ca 0.40 -0.10 -0.03 0.00 3.14 0.00 0.00 58.73 62.14 1i9y h TYR 763 Cb 0.02 -0.15 -0.03 0.00 1.54 0.00 0.00 36.73 38.10 1i9y h TYR 763 CO -0.00 0.66 0.31 -0.07 -1.64 0.00 0.00 178.16 177.42 1i9y h LEU 764 N 0.33 0.93 -2.10 2.82 3.38 -0.79 -2.27 115.31 117.62 1i9y h LEU 764 Ca 0.09 -0.12 0.01 0.00 0.09 0.00 0.00 57.88 57.95 1i9y h LEU 764 Cb 0.42 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 1i9y h LEU 764 CO 0.01 0.81 0.03 0.15 0.09 0.00 0.00 178.44 179.53 1i9y h PHE 765 N 1.01 0.00 0.00 1.13 3.57 0.10 0.78 116.94 123.53 1i9y h PHE 765 Ca 0.24 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.74 1i9y h PHE 765 Cb 0.14 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.88 1i9y h PHE 765 CO 0.01 0.00 -0.01 0.93 -2.23 0.00 0.00 178.31 177.01 1i9y h GLU 766 N 0.00 0.00 -0.42 1.11 5.08 -1.19 -1.44 114.58 117.72 1i9y h GLU 766 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1i9y h GLU 766 Cb 0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.34 1i9y h GLU 766 CO -0.00 0.01 0.00 0.66 -1.00 0.00 0.00 179.01 178.68 1i9y n TYR 767 N -3.14 0.55 -2.26 4.33 4.02 0.25 -4.95 117.16 115.95 1i9y n TYR 767 Ca -0.01 -0.35 -0.42 0.00 -0.01 0.00 0.00 57.90 57.11 1i9y n TYR 767 Cb 0.19 -0.01 -0.03 0.00 -0.02 0.00 0.00 39.34 39.47 1i9y n TYR 767 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 1i9y s ASP 768 N -1.18 6.88 0.20 7.72 2.15 -0.54 -0.42 116.67 131.49 1i9y s ASP 768 Ca 0.34 2.05 -0.09 0.00 0.43 0.00 0.00 52.55 55.28 1i9y s ASP 768 Cb 0.19 -2.56 0.14 0.00 -0.30 0.00 0.00 42.92 40.39 1i9y s ASP 768 CO 0.26 -0.71 1.78 1.56 -0.17 0.00 0.00 175.17 177.89 1i9y h GLN 769 N 7.86 1.11 -0.15 4.34 4.20 0.64 -2.57 115.11 130.54 1i9y h GLN 769 Ca -0.37 -0.18 0.01 0.00 0.06 0.00 0.00 58.65 58.17 1i9y h GLN 769 Cb 1.17 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 28.75 1i9y h GLN 769 CO 0.90 0.89 0.07 1.25 -0.67 0.00 0.00 178.83 181.27 1i9y h LEU 770 N 1.07 0.11 -0.52 1.46 5.85 -1.88 -1.04 115.31 120.37 1i9y h LEU 770 Ca 0.25 0.00 0.08 0.00 0.84 0.00 0.00 57.88 59.06 1i9y h LEU 770 Cb 0.17 -0.02 -0.07 0.00 0.37 0.00 0.00 40.66 41.12 1i9y h LEU 770 CO -0.03 0.09 0.14 -1.13 -0.34 0.00 0.00 178.44 177.17 1i9y h ASN 771 N 0.16 0.08 -0.01 1.25 -1.24 -1.90 0.14 115.58 114.06 1i9y h ASN 771 Ca 0.06 0.08 0.00 0.00 0.71 0.00 0.00 56.30 57.15 1i9y h ASN 771 Cb 0.01 0.10 -0.00 0.00 0.73 0.00 0.00 38.32 39.15 1i9y h ASN 771 CO -0.04 0.07 -0.00 0.50 -1.29 0.00 0.00 177.43 176.66 1i9y h LYS 772 N 0.29 -0.00 0.00 6.67 3.64 -1.17 -0.03 116.57 125.96 1i9y h LYS 772 Ca 0.26 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.56 1i9y h LYS 772 Cb 0.33 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.14 1i9y h LYS 772 CO -0.31 -0.00 -0.38 1.96 -2.27 0.00 0.00 179.45 178.45 1i9y h GLN 773 N -0.00 0.00 0.07 1.90 1.08 -0.81 -3.01 115.11 114.34 1i9y h GLN 773 Ca 0.00 0.00 -0.27 0.00 -1.45 0.00 0.00 58.65 56.93 1i9y h GLN 773 Cb 0.01 0.00 0.02 0.00 -0.05 0.00 0.00 27.48 27.46 1i9y h GLN 773 CO -0.01 0.38 -1.14 0.52 -0.95 0.00 0.00 178.83 177.63 1i9y h MET 774 N 0.00 0.53 -0.91 1.46 2.86 -0.43 -2.79 114.93 115.65 1i9y h MET 774 Ca -0.00 -0.67 0.12 0.00 -2.06 0.00 0.00 59.70 57.08 1i9y h MET 774 Cb 0.73 0.21 -0.07 0.00 0.06 0.00 0.00 31.60 32.53 1i9y h MET 774 CO 0.05 1.28 0.59 -0.07 1.06 0.00 0.00 176.91 179.82 1i9y h LEU 775 N 0.25 0.78 -0.01 1.22 3.38 -0.92 -0.07 115.31 119.94 1i9y h LEU 775 Ca -0.15 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1i9y h LEU 775 Cb 1.81 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 42.43 1i9y h LEU 775 CO 0.21 0.43 -0.01 0.35 0.09 0.00 0.00 178.44 179.51 1i9y n THR 776 N -4.56 0.00 -0.95 0.22 -2.24 -1.15 -4.90 114.28 100.70 1i9y n THR 776 Ca 0.17 -0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.94 1i9y n THR 776 Cb 0.37 -0.47 0.00 0.00 -2.10 0.00 0.00 70.33 68.13 1i9y n THR 776 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1i9y n GLY 777 N 1.26 0.66 0.18 3.38 0.00 -0.04 -4.90 105.19 105.73 1i9y n GLY 777 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1i9y n GLY 777 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1i9y h LYS 778 N 1.82 0.10 -4.96 1.61 1.57 -1.73 -3.41 116.57 111.56 1i9y h LYS 778 Ca 0.00 -0.05 -0.33 0.00 -1.87 0.00 0.00 60.65 58.41 1i9y h LYS 778 Cb 0.07 -0.00 -0.19 0.00 0.08 0.00 0.00 32.23 32.19 1i9y h LYS 778 CO 0.00 0.50 -0.74 0.14 -0.57 0.00 0.00 179.45 178.78 1i9y s VAL 779 N -4.11 0.90 -1.50 0.50 -7.23 -1.20 -4.87 120.40 102.89 1i9y s VAL 779 Ca -0.03 -1.50 -0.02 0.00 -1.81 0.00 0.00 61.98 58.62 1i9y s VAL 779 Cb 0.14 -1.20 0.01 0.00 0.56 0.00 0.00 36.38 35.89 1i9y s VAL 779 CO 0.75 -0.48 0.24 0.49 -0.31 0.00 0.00 175.10 175.80 1i9y n PHE 780 N 0.81 -1.46 -1.87 2.82 3.01 -1.26 -4.42 117.46 115.10 1i9y n PHE 780 Ca -0.18 0.68 -0.40 0.00 1.01 0.00 0.00 57.45 58.57 1i9y n PHE 780 Cb 0.57 -3.21 0.01 0.00 -0.01 0.00 0.00 39.48 36.84 1i9y n PHE 780 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 1i9y s PRO 781 N -6.98 3.74 0.00 -1.08 0.04 -1.26 -1.91 135.00 127.54 1i9y s PRO 781 Ca 0.06 2.34 0.00 0.00 0.04 0.00 0.00 61.00 63.44 1i9y s PRO 781 Cb -0.03 -2.66 0.00 0.00 0.04 0.00 0.00 34.50 31.84 1i9y s PRO 781 CO 0.95 -0.75 0.00 1.19 0.04 0.00 0.00 177.00 178.43 1i9y n PHE 782 N -0.15 0.00 -3.63 0.56 3.01 -1.26 -5.00 117.46 110.99 1i9y n PHE 782 Ca 0.05 0.00 -0.33 0.00 1.01 0.00 0.00 57.45 58.18 1i9y n PHE 782 Cb 0.42 -0.79 -0.05 0.00 -0.01 0.00 0.00 39.48 39.05 1i9y n PHE 782 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 1i9y s PHE 783 N -2.11 3.53 0.26 1.38 0.40 -0.81 -4.51 117.98 116.11 1i9y s PHE 783 Ca 0.00 0.66 0.12 0.00 -0.60 0.00 0.00 56.93 57.11 1i9y s PHE 783 Cb 0.00 -2.08 -0.05 0.00 0.51 0.00 0.00 43.02 41.41 1i9y s PHE 783 CO 0.00 0.48 -0.20 -1.12 0.70 0.00 0.00 175.22 175.08 1i9y s SER 784 N -2.07 3.60 -0.02 1.36 0.01 0.51 -4.89 113.70 112.20 1i9y s SER 784 Ca 0.36 -0.97 0.03 0.00 1.31 0.00 0.00 55.95 56.69 1i9y s SER 784 Cb -0.13 -0.31 -0.00 0.00 0.21 0.00 0.00 66.02 65.78 1i9y s SER 784 CO 0.21 0.06 -0.11 -0.70 0.41 0.00 0.00 173.24 173.10 1i9y s GLU 785 N -3.30 1.03 0.72 12.44 2.12 -1.26 -1.06 118.70 129.38 1i9y s GLU 785 Ca 0.28 -0.40 -0.13 0.00 0.36 0.00 0.00 54.97 55.08 1i9y s GLU 785 Cb -0.06 -0.97 0.03 0.00 0.26 0.00 0.00 34.13 33.40 1i9y s GLU 785 CO 0.14 0.20 1.12 -1.17 -0.54 0.00 0.00 175.26 175.01 1i9y s LEU 786 N -0.08 3.23 0.51 2.70 2.96 -1.26 -4.93 118.68 121.80 1i9y s LEU 786 Ca 0.01 2.00 -0.23 0.00 -0.22 0.00 0.00 54.13 55.69 1i9y s LEU 786 Cb -0.07 -4.55 -0.06 0.00 0.50 0.00 0.00 46.19 42.02 1i9y s LEU 786 CO 0.00 -1.95 1.35 -2.16 -1.32 0.00 0.00 176.35 172.28 1i9y s PRO 787 N -4.37 3.36 -0.29 0.98 0.04 -1.26 -4.93 135.00 128.54 1i9y s PRO 787 Ca 0.66 2.23 -0.21 0.00 0.04 0.00 0.00 61.00 63.72 1i9y s PRO 787 Cb -0.21 -2.39 -0.01 0.00 0.04 0.00 0.00 34.50 31.94 1i9y s PRO 787 CO 0.48 -1.01 0.66 0.42 0.04 0.00 0.00 177.00 177.59 1i9y s ILE 788 N -1.30 4.92 -0.29 0.56 1.01 -1.26 -4.90 121.20 119.94 1i9y s ILE 788 Ca 0.68 1.01 0.03 0.00 0.00 0.00 0.00 60.65 62.36 1i9y s ILE 788 Cb -0.40 -4.01 0.07 0.00 0.01 0.00 0.00 42.46 38.13 1i9y s ILE 788 CO 0.49 -0.11 0.97 0.35 0.00 0.00 0.00 174.94 176.63 1i9y n THR 789 N 5.36 0.79 -4.15 2.92 -2.24 -1.26 -4.92 114.28 110.78 1i9y n THR 789 Ca 0.00 -0.89 -0.25 0.00 -2.27 0.00 0.00 64.05 60.64 1i9y n THR 789 Cb 0.49 0.62 -0.06 0.00 -2.10 0.00 0.00 70.33 69.28 1i9y n THR 789 CO 0.00 0.00 0.00 0.72 -0.57 0.00 0.00 175.07 175.22 1i9y s PHE 790 N -0.84 3.00 0.87 4.78 -0.12 -1.26 -5.08 117.98 119.34 1i9y s PHE 790 Ca 0.06 -0.10 -0.11 0.00 -0.05 0.00 0.00 56.93 56.73 1i9y s PHE 790 Cb 0.03 -1.41 0.12 0.00 -0.63 0.00 0.00 43.02 41.13 1i9y s PHE 790 CO 0.04 0.53 1.09 -2.14 -0.05 0.00 0.00 175.22 174.70 1i9y s PRO 791 N -3.29 1.42 0.12 1.99 0.02 -1.26 -4.91 135.00 129.09 1i9y s PRO 791 Ca 0.30 0.99 -0.35 0.00 0.02 0.00 0.00 61.00 61.96 1i9y s PRO 791 Cb -0.09 -1.82 -0.16 0.00 0.02 0.00 0.00 34.50 32.46 1i9y s PRO 791 CO 0.22 -2.17 1.35 -2.30 -0.33 0.00 0.00 177.00 173.77 1i9y n PRO 792 N -3.86 1.34 -0.02 5.54 -0.02 -1.26 -4.83 135.00 131.89 1i9y n PRO 792 Ca 0.08 0.48 0.13 0.00 -2.02 0.00 0.00 63.50 62.17 1i9y n PRO 792 Cb 0.54 -2.12 0.47 0.00 -0.02 0.00 0.00 33.50 32.37 1i9y n PRO 792 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1i9y n THR 793 N 2.48 0.05 -4.46 3.45 -2.24 -1.01 -4.82 114.28 107.72 1i9y n THR 793 Ca 0.17 -0.29 -0.23 0.00 -2.27 0.00 0.00 64.05 61.44 1i9y n THR 793 Cb 0.22 0.53 -0.13 0.00 -2.10 0.00 0.00 70.33 68.84 1i9y n THR 793 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1i9y s TYR 794 N -1.95 1.57 -0.17 4.78 5.04 -0.92 -0.63 117.35 125.06 1i9y s TYR 794 Ca 0.36 -0.38 -0.00 0.00 -2.44 0.00 0.00 57.07 54.61 1i9y s TYR 794 Cb 0.20 -0.92 0.00 0.00 0.35 0.00 0.00 41.96 41.59 1i9y s TYR 794 CO 0.32 0.09 0.17 1.17 -1.34 0.00 0.00 175.55 175.95 1i9y n LYS 795 N 1.73 -0.35 -4.06 4.97 3.00 -1.03 -2.94 118.16 119.47 1i9y n LYS 795 Ca -0.18 0.76 -0.34 0.00 -0.00 0.00 0.00 58.31 58.56 1i9y n LYS 795 Cb 0.54 -2.55 -0.07 0.00 0.00 0.00 0.00 35.03 32.96 1i9y n LYS 795 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.40 177.34 1i9y s PHE 796 N -2.82 3.36 0.33 5.64 0.40 -0.30 0.43 117.98 125.02 1i9y s PHE 796 Ca 0.01 0.27 -0.29 0.00 -0.60 0.00 0.00 56.93 56.32 1i9y s PHE 796 Cb -0.00 -1.78 -0.11 0.00 0.51 0.00 0.00 43.02 41.64 1i9y s PHE 796 CO 0.18 0.58 1.42 -0.51 0.70 0.00 0.00 175.22 177.60 1i9y s ASP 797 N -1.63 6.56 0.23 1.36 1.01 0.20 -4.39 116.67 120.01 1i9y s ASP 797 Ca 0.22 2.85 -0.30 0.00 0.71 0.00 0.00 52.55 56.02 1i9y s ASP 797 Cb -0.12 -2.65 -0.10 0.00 1.01 0.00 0.00 42.92 41.06 1i9y s ASP 797 CO 0.13 -0.72 1.51 -0.63 0.21 0.00 0.00 175.17 175.66 1i9y s ILE 798 N -0.87 2.55 0.00 0.77 1.01 -1.26 -2.32 121.20 121.08 1i9y s ILE 798 Ca 0.53 0.44 0.00 0.00 0.00 0.00 0.00 60.65 61.62 1i9y s ILE 798 Cb -0.43 -3.28 0.00 0.00 0.01 0.00 0.00 42.46 38.76 1i9y s ILE 798 CO 0.55 0.06 0.00 0.61 0.00 0.00 0.00 174.94 176.16 1i9y n GLY 799 N 2.69 1.29 3.51 6.18 0.00 -0.13 -5.02 105.19 113.72 1i9y n GLY 799 Ca 0.09 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.87 1i9y n GLY 799 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1i9y s THR 800 N -3.05 1.16 -2.10 2.61 -4.23 -0.98 -4.98 115.64 104.07 1i9y s THR 800 Ca 0.00 -2.00 0.15 0.00 -1.18 0.00 0.00 61.69 58.66 1i9y s THR 800 Cb 0.00 -2.67 0.38 0.00 1.34 0.00 0.00 72.50 71.55 1i9y s THR 800 CO 0.00 0.00 1.37 0.47 -0.54 0.00 0.00 174.62 175.92 1i9y n ASP 801 N -0.91 1.94 -4.78 3.99 8.00 -1.26 -4.63 116.55 118.90 1i9y n ASP 801 Ca -0.05 -1.90 -0.37 0.00 0.71 0.00 0.00 54.79 53.18 1i9y n ASP 801 Cb 0.66 -0.20 -0.07 0.00 -0.02 0.00 0.00 41.12 41.49 1i9y n ASP 801 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1i9y s ILE 802 N -1.59 5.27 0.28 0.53 1.01 -1.26 -5.00 121.20 120.44 1i9y s ILE 802 Ca 0.28 0.57 -0.28 0.00 0.00 0.00 0.00 60.65 61.21 1i9y s ILE 802 Cb 0.15 -3.61 -0.09 0.00 0.01 0.00 0.00 42.46 38.91 1i9y s ILE 802 CO 0.21 0.48 0.97 -0.31 0.00 0.00 0.00 174.94 176.28 1i9y s TYR 803 N -0.18 3.79 0.00 3.97 1.51 -1.26 -0.63 117.35 124.54 1i9y s TYR 803 Ca 0.18 1.83 0.00 0.00 -1.01 0.00 0.00 57.07 58.07 1i9y s TYR 803 Cb -0.14 -3.02 0.00 0.00 -0.11 0.00 0.00 41.96 38.70 1i9y s TYR 803 CO 0.06 0.16 0.00 -3.47 -1.11 0.00 0.00 175.55 171.19 1i9y n ASP 804 N 1.04 0.00 -1.47 2.29 2.03 0.17 -4.70 116.55 115.90 1i9y n ASP 804 Ca -0.00 0.00 0.11 0.00 0.52 0.00 0.00 54.79 55.42 1i9y n ASP 804 Cb 0.48 0.00 0.34 0.00 -0.72 0.00 0.00 41.12 41.22 1i9y n ASP 804 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1i9y n THR 805 N 0.00 1.34 -1.39 5.18 -2.24 -1.26 -3.73 114.28 112.18 1i9y n THR 805 Ca 0.00 -1.08 -0.29 0.00 -2.27 0.00 0.00 64.05 60.41 1i9y n THR 805 Cb 0.00 0.35 0.15 0.00 -2.10 0.00 0.00 70.33 68.73 1i9y n THR 805 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1i9y s SER 806 N -0.96 3.22 0.51 3.42 1.04 -1.26 -4.80 113.70 114.88 1i9y s SER 806 Ca 0.51 1.08 0.26 0.00 0.48 0.00 0.00 55.95 58.29 1i9y s SER 806 Cb 0.29 -1.71 1.39 0.00 0.10 0.00 0.00 66.02 66.09 1i9y s SER 806 CO 0.30 -2.74 2.05 -2.24 0.98 0.00 0.00 173.24 171.59 1i9y h ASP 807 N -1.63 0.00 -0.06 7.02 2.03 -2.04 0.57 116.42 122.32 1i9y h ASP 807 Ca -0.52 0.00 0.03 0.00 -0.73 0.00 0.00 57.03 55.81 1i9y h ASP 807 Cb 1.33 0.00 -0.04 0.00 -0.83 0.00 0.00 39.33 39.79 1i9y h ASP 807 CO 0.60 0.13 -0.13 0.11 -1.03 0.00 0.00 179.24 178.92 1i9y h LYS 808 N 0.00 -0.19 -0.65 4.15 1.79 -1.94 -3.47 116.57 116.26 1i9y h LYS 808 Ca -0.00 0.01 -0.16 0.00 -2.18 0.00 0.00 60.65 58.32 1i9y h LYS 808 Cb 0.36 0.04 -0.04 0.00 -1.58 0.00 0.00 32.23 31.01 1i9y h LYS 808 CO 0.02 -0.13 -0.17 1.58 -1.08 0.00 0.00 179.45 179.67 1i9y n HIS 809 N -5.27 -0.14 -1.86 -1.35 -0.00 0.19 -4.87 115.22 101.91 1i9y n HIS 809 Ca -0.04 0.00 -0.41 0.00 -0.00 0.00 0.00 57.72 57.27 1i9y n HIS 809 Cb 0.19 -1.80 -0.01 0.00 -0.00 0.00 0.00 29.99 28.37 1i9y n HIS 809 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.34 177.37 1i9y s ARG 810 N -3.32 4.16 0.16 1.57 1.81 -1.26 -4.81 118.95 117.26 1i9y s ARG 810 Ca 0.00 2.50 -0.30 0.00 -1.72 0.00 0.00 55.73 56.20 1i9y s ARG 810 Cb 0.00 -3.01 -0.08 0.00 -0.45 0.00 0.00 34.95 31.41 1i9y s ARG 810 CO 0.00 -0.51 1.28 0.08 -0.68 0.00 0.00 175.30 175.47 1i9y s VAL 811 N -0.65 3.44 0.79 3.52 1.01 -1.26 -4.72 120.40 122.53 1i9y s VAL 811 Ca 0.56 1.14 -0.14 0.00 0.00 0.00 0.00 61.98 63.53 1i9y s VAL 811 Cb -0.45 -3.73 0.03 0.00 0.00 0.00 0.00 36.38 32.23 1i9y s VAL 811 CO 0.55 0.15 0.91 -2.65 0.00 0.00 0.00 175.10 174.06 1i9y n PRO 812 N 3.02 0.23 -3.48 2.72 -0.02 -1.26 -4.86 135.00 131.34 1i9y n PRO 812 Ca 0.07 0.14 -0.14 0.00 -2.02 0.00 0.00 63.50 61.55 1i9y n PRO 812 Cb 0.44 -2.19 -0.04 0.00 -0.02 0.00 0.00 33.50 31.69 1i9y n PRO 812 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1i9y s ALA 813 N -2.04 -1.71 -1.24 3.55 0.00 -1.15 -4.26 121.76 114.90 1i9y s ALA 813 Ca 0.70 0.95 -0.10 0.00 0.00 0.00 0.00 51.96 53.51 1i9y s ALA 813 Cb -0.31 0.37 0.19 0.00 0.00 0.00 0.00 23.12 23.37 1i9y s ALA 813 CO 0.54 -0.57 1.70 0.91 0.00 0.00 0.00 175.76 178.34 1i9y n TRP 814 N 0.23 3.46 0.12 0.00 8.01 -1.26 -2.16 117.44 125.83 1i9y n TRP 814 Ca -0.16 -2.95 -0.02 0.00 -1.31 0.00 0.00 57.50 53.05 1i9y n TRP 814 Cb 0.61 -1.92 0.18 0.00 -2.01 0.00 0.00 31.31 28.16 1i9y n TRP 814 CO 0.00 0.00 0.00 1.79 -1.01 0.00 0.00 177.69 178.47 1i9y h THR 815 N 3.92 1.39 -3.55 -0.99 1.35 -1.91 -3.43 112.91 109.70 1i9y h THR 815 Ca 0.35 -1.93 -0.61 0.00 -0.55 0.00 0.00 66.41 63.67 1i9y h THR 815 Cb 0.70 2.01 -0.12 0.00 -1.73 0.00 0.00 68.15 69.00 1i9y h THR 815 CO 1.48 0.56 -0.20 -1.81 -0.25 0.00 0.00 175.52 175.30 1i9y s ASP 816 N -6.88 6.38 0.05 5.36 1.01 -1.26 -0.92 116.67 120.41 1i9y s ASP 816 Ca -0.03 0.44 -0.09 0.00 0.71 0.00 0.00 52.55 53.59 1i9y s ASP 816 Cb 0.13 -2.23 0.00 0.00 1.01 0.00 0.00 42.92 41.83 1i9y s ASP 816 CO 0.77 -0.12 0.19 -0.13 0.21 0.00 0.00 175.17 176.09 1i9y s ARG 817 N 1.58 0.72 -0.10 8.23 0.52 -0.34 -4.98 118.95 124.58 1i9y s ARG 817 Ca 0.18 -0.71 -0.00 0.00 -0.52 0.00 0.00 55.73 54.68 1i9y s ARG 817 Cb -0.15 0.30 0.02 0.00 0.52 0.00 0.00 34.95 35.64 1i9y s ARG 817 CO 0.08 -0.21 -0.07 0.42 0.02 0.00 0.00 175.30 175.54 1i9y s ILE 818 N -2.86 0.93 0.11 1.52 1.01 -1.26 -0.60 121.20 120.06 1i9y s ILE 818 Ca -0.03 -0.24 0.10 0.00 0.00 0.00 0.00 60.65 60.48 1i9y s ILE 818 Cb 0.00 -0.96 -0.04 0.00 0.01 0.00 0.00 42.46 41.47 1i9y s ILE 818 CO -0.05 0.35 -0.25 -0.76 0.00 0.00 0.00 174.94 174.23 1i9y s LEU 819 N 1.66 2.40 0.05 2.97 1.43 -0.63 -4.61 118.68 121.95 1i9y s LEU 819 Ca 0.03 -0.68 0.02 0.00 -1.03 0.00 0.00 54.13 52.48 1i9y s LEU 819 Cb -0.13 -1.31 -0.03 0.00 0.03 0.00 0.00 46.19 44.76 1i9y s LEU 819 CO -0.07 0.19 -0.08 -0.72 0.23 0.00 0.00 176.35 175.90 1i9y s TYR 820 N -1.05 0.74 -0.06 0.29 -0.85 -0.23 -1.15 117.35 115.06 1i9y s TYR 820 Ca 0.15 -0.58 0.02 0.00 -0.52 0.00 0.00 57.07 56.14 1i9y s TYR 820 Cb -0.10 -0.44 0.01 0.00 0.38 0.00 0.00 41.96 41.81 1i9y s TYR 820 CO 0.06 -0.09 -0.10 0.50 -1.52 0.00 0.00 175.55 174.40 1i9y s ARG 821 N -2.02 1.45 0.00 -3.49 3.52 0.15 -0.36 118.95 118.19 1i9y s ARG 821 Ca -0.05 -0.34 0.00 0.00 -0.13 0.00 0.00 55.73 55.21 1i9y s ARG 821 Cb -0.07 -1.24 0.00 0.00 -1.56 0.00 0.00 34.95 32.08 1i9y s ARG 821 CO -0.00 0.01 0.00 0.41 -0.81 0.00 0.00 175.30 174.91 1i9y n GLY 822 N 3.81 1.92 1.81 8.12 0.00 -1.26 -0.91 105.19 118.67 1i9y n GLY 822 Ca -0.23 -2.11 -0.03 0.00 0.00 0.00 0.00 46.02 43.65 1i9y n GLY 822 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1i9y n GLU 823 N 0.05 0.94 -2.06 1.61 -0.58 -1.26 -4.89 120.64 114.45 1i9y n GLU 823 Ca 0.00 -0.23 -0.33 0.00 -0.42 0.00 0.00 57.16 56.18 1i9y n GLU 823 Cb 0.00 -1.38 0.01 0.00 -0.57 0.00 0.00 31.44 29.50 1i9y n GLU 823 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1i9y s LEU 824 N 0.00 3.50 -0.41 -4.62 1.43 -1.26 -4.73 118.68 112.59 1i9y s LEU 824 Ca 0.15 1.80 -0.11 0.00 -1.03 0.00 0.00 54.13 54.94 1i9y s LEU 824 Cb 0.07 -4.53 0.05 0.00 0.03 0.00 0.00 46.19 41.81 1i9y s LEU 824 CO 0.00 -1.14 0.26 -0.69 0.23 0.00 0.00 176.35 175.01 1i9y s VAL 825 N -2.47 4.60 0.36 -1.59 1.01 -0.10 -4.96 120.40 117.26 1i9y s VAL 825 Ca 0.63 -1.06 -0.25 0.00 0.00 0.00 0.00 61.98 61.30 1i9y s VAL 825 Cb -0.16 -3.67 -0.09 0.00 0.00 0.00 0.00 36.38 32.45 1i9y s VAL 825 CO 0.37 -0.38 1.01 -2.16 0.00 0.00 0.00 175.10 173.93 1i9y s PRO 826 N 1.53 4.37 0.00 2.72 0.04 -1.26 -1.19 135.00 141.21 1i9y s PRO 826 Ca 0.03 1.44 0.00 0.00 0.04 0.00 0.00 61.00 62.51 1i9y s PRO 826 Cb -0.21 -2.67 0.00 0.00 0.04 0.00 0.00 34.50 31.65 1i9y s PRO 826 CO 0.05 0.05 0.00 0.72 0.04 0.00 0.00 177.00 177.87 1i9y n HIS 827 N 0.24 0.00 -4.15 0.56 8.25 0.10 -4.95 115.22 115.28 1i9y n HIS 827 Ca 0.03 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.26 1i9y n HIS 827 Cb 0.50 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.55 1i9y n HIS 827 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1i9y s SER 828 N -2.34 5.31 -0.29 0.41 0.01 -1.25 -4.91 113.70 110.64 1i9y s SER 828 Ca 0.00 -0.31 0.02 0.00 1.31 0.00 0.00 55.95 56.97 1i9y s SER 828 Cb 0.00 -1.29 0.18 0.00 0.21 0.00 0.00 66.02 65.12 1i9y s SER 828 CO 0.00 -0.00 0.52 -0.47 0.41 0.00 0.00 173.24 173.69 1i9y s TYR 829 N -2.07 -1.44 0.13 2.43 6.04 -1.26 -1.46 117.35 119.72 1i9y s TYR 829 Ca 0.32 1.07 -0.07 0.00 0.04 0.00 0.00 57.07 58.43 1i9y s TYR 829 Cb -0.08 0.24 -0.01 0.00 -1.04 0.00 0.00 41.96 41.07 1i9y s TYR 829 CO 0.23 -0.94 0.20 -0.65 -1.54 0.00 0.00 175.55 172.85 1i9y s GLN 830 N 2.73 1.00 0.28 4.97 -1.52 -0.40 -4.70 119.66 122.02 1i9y s GLN 830 Ca 0.14 -1.15 0.06 0.00 -1.95 0.00 0.00 55.36 52.45 1i9y s GLN 830 Cb -0.13 0.34 -0.03 0.00 -0.22 0.00 0.00 33.01 32.97 1i9y s GLN 830 CO -0.24 -0.34 0.32 -1.54 -0.25 0.00 0.00 175.29 173.25 1i9y s SER 831 N -2.95 5.85 0.04 5.90 1.04 -1.26 -0.89 113.70 121.42 1i9y s SER 831 Ca 0.14 -0.17 0.05 0.00 0.48 0.00 0.00 55.95 56.45 1i9y s SER 831 Cb 0.05 -1.45 -0.02 0.00 0.10 0.00 0.00 66.02 64.70 1i9y s SER 831 CO -0.03 -0.18 -0.16 -0.69 0.98 0.00 0.00 173.24 173.16 1i9y s VAL 832 N -2.12 1.24 -1.26 5.02 1.01 -0.27 -4.94 120.40 119.07 1i9y s VAL 832 Ca 0.37 -1.01 -0.19 0.00 0.00 0.00 0.00 61.98 61.15 1i9y s VAL 832 Cb -0.08 -1.10 0.05 0.00 0.00 0.00 0.00 36.38 35.25 1i9y s VAL 832 CO 0.28 0.07 1.74 -2.84 0.00 0.00 0.00 175.10 174.35 1i9y s PRO 833 N -1.08 3.79 0.03 2.72 0.02 -1.26 -4.08 135.00 135.14 1i9y s PRO 833 Ca 0.03 -1.84 0.04 0.00 0.02 0.00 0.00 61.00 59.26 1i9y s PRO 833 Cb -0.08 -5.49 -0.04 0.00 0.02 0.00 0.00 34.50 28.91 1i9y s PRO 833 CO 0.01 -2.44 -0.07 -0.51 -0.33 0.00 0.00 177.00 173.66 1i9y s LEU 834 N 5.04 3.18 -0.06 -5.54 1.43 -1.26 -5.01 118.68 116.45 1i9y s LEU 834 Ca 0.55 -0.20 0.09 0.00 -1.03 0.00 0.00 54.13 53.54 1i9y s LEU 834 Cb 0.03 -1.87 0.14 0.00 0.03 0.00 0.00 46.19 44.52 1i9y s LEU 834 CO 0.07 0.25 1.05 -1.22 0.23 0.00 0.00 176.35 176.73 1i9y n TYR 835 N 1.27 0.00 0.27 0.29 4.02 -1.26 -4.68 117.16 117.07 1i9y n TYR 835 Ca -0.14 -0.70 0.16 0.00 -0.01 0.00 0.00 57.90 57.21 1i9y n TYR 835 Cb 0.52 -0.10 0.63 0.00 -0.02 0.00 0.00 39.34 40.38 1i9y n TYR 835 CO 0.00 0.00 0.00 1.88 -1.01 0.00 0.00 176.86 177.73 1i9y h TYR 836 N 0.00 0.00 -1.90 -0.72 0.99 -1.96 -0.32 116.97 113.07 1i9y h TYR 836 Ca 0.00 0.00 -0.58 0.00 2.00 0.00 0.00 58.73 60.15 1i9y h TYR 836 Cb 0.78 0.00 -0.13 0.00 1.00 0.00 0.00 36.73 38.38 1i9y h TYR 836 CO 0.00 0.02 -0.55 0.45 -0.00 0.00 0.00 178.16 178.09 1i9y s SER 837 N -5.78 3.23 0.00 3.88 0.15 -1.26 -4.76 113.70 109.16 1i9y s SER 837 Ca 0.01 -1.55 0.22 0.00 0.70 0.00 0.00 55.95 55.34 1i9y s SER 837 Cb 0.09 0.23 1.05 0.00 -1.71 0.00 0.00 66.02 65.67 1i9y s SER 837 CO 0.56 -0.76 1.71 -0.90 1.20 0.00 0.00 173.24 175.06 1i9y n ASP 838 N -1.09 0.86 -4.36 5.45 5.68 -1.26 -4.52 116.55 117.31 1i9y n ASP 838 Ca -0.09 -1.50 -0.27 0.00 -0.50 0.00 0.00 54.79 52.44 1i9y n ASP 838 Cb 0.66 -0.04 -0.13 0.00 -1.14 0.00 0.00 41.12 40.47 1i9y n ASP 838 CO 0.00 0.00 0.00 -1.00 -1.33 0.00 0.00 177.20 174.87 1i9y s HIS 839 N -1.92 2.12 0.22 2.11 3.76 -1.26 -1.15 115.29 119.17 1i9y s HIS 839 Ca 0.33 -0.39 -0.10 0.00 -0.15 0.00 0.00 55.06 54.74 1i9y s HIS 839 Cb 0.17 -1.13 -0.07 0.00 1.11 0.00 0.00 32.58 32.65 1i9y s HIS 839 CO 0.27 0.31 0.55 1.03 -0.85 0.00 0.00 174.74 176.06 1i9y s ARG 840 N -2.12 3.83 0.65 1.40 1.81 0.20 -4.85 118.95 119.86 1i9y s ARG 840 Ca 0.12 0.32 -0.10 0.00 -1.72 0.00 0.00 55.73 54.35 1i9y s ARG 840 Cb -0.10 -2.69 -0.01 0.00 -0.45 0.00 0.00 34.95 31.71 1i9y s ARG 840 CO 0.06 0.34 1.03 -1.25 -0.68 0.00 0.00 175.30 174.80 1i9y s PRO 841 N -2.68 3.20 0.19 3.54 0.04 -1.26 -4.77 135.00 133.25 1i9y s PRO 841 Ca 0.46 0.51 0.00 0.00 0.04 0.00 0.00 61.00 62.01 1i9y s PRO 841 Cb -0.12 -2.09 -0.04 0.00 0.04 0.00 0.00 34.50 32.29 1i9y s PRO 841 CO 0.21 -0.77 0.06 0.96 0.04 0.00 0.00 177.00 177.50 1i9y s ILE 842 N -3.21 0.37 0.16 0.56 -4.36 -0.22 -1.12 121.20 113.38 1i9y s ILE 842 Ca 0.56 -1.97 -0.13 0.00 -0.26 0.00 0.00 60.65 58.85 1i9y s ILE 842 Cb -0.11 -2.29 0.01 0.00 1.25 0.00 0.00 42.46 41.32 1i9y s ILE 842 CO 0.52 -0.28 0.36 -0.72 0.24 0.00 0.00 174.94 175.06 1i9y s TYR 843 N -3.87 0.10 0.02 1.37 -0.85 -0.07 -1.38 117.35 112.66 1i9y s TYR 843 Ca 0.30 -0.46 -0.05 0.00 -0.52 0.00 0.00 57.07 56.34 1i9y s TYR 843 Cb 0.07 0.13 -0.01 0.00 0.38 0.00 0.00 41.96 42.54 1i9y s TYR 843 CO 0.07 -0.75 0.07 0.00 -1.52 0.00 0.00 175.55 173.42 1i9y s ALA 844 N -3.90 -0.12 0.11 9.51 0.00 0.51 -1.28 121.76 126.59 1i9y s ALA 844 Ca 0.11 -0.38 0.09 0.00 0.00 0.00 0.00 51.96 51.78 1i9y s ALA 844 Cb 0.02 0.15 -0.04 0.00 0.00 0.00 0.00 23.12 23.26 1i9y s ALA 844 CO -0.04 -0.22 -0.23 0.95 0.00 0.00 0.00 175.76 176.22 1i9y s THR 845 N -1.70 1.87 0.05 0.00 -4.23 -0.54 -0.78 115.64 110.32 1i9y s THR 845 Ca -0.13 -1.60 -0.04 0.00 -1.18 0.00 0.00 61.69 58.74 1i9y s THR 845 Cb -0.07 -1.68 -0.02 0.00 1.34 0.00 0.00 72.50 72.07 1i9y s THR 845 CO -0.01 -0.01 0.06 -0.31 -0.54 0.00 0.00 174.62 173.81 1i9y s TYR 846 N -1.13 0.32 -0.08 3.99 1.51 0.07 -0.72 117.35 121.31 1i9y s TYR 846 Ca 0.09 -0.75 0.04 0.00 -1.01 0.00 0.00 57.07 55.43 1i9y s TYR 846 Cb -0.10 -0.22 -0.01 0.00 -0.11 0.00 0.00 41.96 41.52 1i9y s TYR 846 CO 0.05 -0.41 -0.21 -1.21 -1.11 0.00 0.00 175.55 172.65 1i9y s GLU 847 N -3.41 2.81 -0.17 -0.62 2.02 -0.33 -0.58 118.70 118.42 1i9y s GLU 847 Ca 0.02 -0.84 0.01 0.00 0.02 0.00 0.00 54.97 54.18 1i9y s GLU 847 Cb 0.04 -2.30 0.03 0.00 0.10 0.00 0.00 34.13 31.99 1i9y s GLU 847 CO -0.08 0.33 -0.13 0.00 0.02 0.00 0.00 175.26 175.39 1i9y s ALA 848 N -0.01 1.97 0.02 5.21 0.00 0.88 -0.92 121.76 128.92 1i9y s ALA 848 Ca -0.07 -1.06 -0.30 0.00 0.00 0.00 0.00 51.96 50.53 1i9y s ALA 848 Cb -0.15 -1.16 -0.05 0.00 0.00 0.00 0.00 23.12 21.77 1i9y s ALA 848 CO 0.05 -0.55 1.21 1.21 0.00 0.00 0.00 175.76 177.68 1i9y s ASN 849 N 1.43 7.06 -0.02 0.00 3.84 -1.26 0.09 114.94 126.08 1i9y s ASN 849 Ca 0.03 1.96 0.03 0.00 0.21 0.00 0.00 52.86 55.09 1i9y s ASN 849 Cb -0.14 -2.57 -0.03 0.00 -0.55 0.00 0.00 41.25 37.96 1i9y s ASN 849 CO -0.10 -0.51 -0.10 -0.63 -2.79 0.00 0.00 177.10 172.97 1i9y s ILE 850 N 1.48 3.42 -0.10 -5.21 1.09 0.27 -4.96 121.20 117.19 1i9y s ILE 850 Ca 0.58 -0.76 0.04 0.00 -1.10 0.00 0.00 60.65 59.41 1i9y s ILE 850 Cb -0.28 -2.43 0.00 0.00 -1.06 0.00 0.00 42.46 38.68 1i9y s ILE 850 CO 0.27 0.47 -0.24 -0.69 -0.10 0.00 0.00 174.94 174.65 1i9y s VAL 851 N -0.90 2.06 -0.27 2.92 1.01 -1.26 -0.93 120.40 123.04 1i9y s VAL 851 Ca 0.15 -1.02 -0.05 0.00 0.00 0.00 0.00 61.98 61.06 1i9y s VAL 851 Cb -0.11 -1.78 0.01 0.00 0.00 0.00 0.00 36.38 34.50 1i9y s VAL 851 CO 0.05 0.56 0.02 -0.75 0.00 0.00 0.00 175.10 174.97 1i9y s LYS 852 N 0.36 3.06 -0.22 2.72 2.20 0.26 -0.58 119.74 127.54 1i9y s LYS 852 Ca -0.18 -0.86 -0.08 0.00 -0.36 0.00 0.00 55.97 54.49 1i9y s LYS 852 Cb -0.18 -3.19 -0.04 0.00 -1.51 0.00 0.00 37.83 32.91 1i9y s LYS 852 CO 0.09 -0.39 0.09 0.08 -0.36 0.00 0.00 175.35 174.86 1i9y s VAL 853 N 1.44 4.73 -0.84 4.02 1.01 -1.26 -1.01 120.40 128.50 1i9y s VAL 853 Ca 0.02 -0.04 -0.25 0.00 0.00 0.00 0.00 61.98 61.71 1i9y s VAL 853 Cb -0.17 -3.19 0.03 0.00 0.00 0.00 0.00 36.38 33.06 1i9y s VAL 853 CO -0.01 0.38 1.43 -0.62 0.00 0.00 0.00 175.10 176.28 1i9y s ASP 854 N 1.07 6.15 0.35 3.32 -1.08 0.77 -4.84 116.67 122.40 1i9y s ASP 854 Ca 0.05 -0.76 0.04 0.00 -0.52 0.00 0.00 52.55 51.36 1i9y s ASP 854 Cb -0.14 -2.56 0.66 0.00 -1.46 0.00 0.00 42.92 39.42 1i9y s ASP 854 CO 0.04 -1.82 1.95 0.03 0.52 0.00 0.00 175.17 175.89 1i9y h ARG 855 N 10.44 0.64 0.47 4.34 2.47 -1.96 -1.62 114.38 129.16 1i9y h ARG 855 Ca -0.08 -0.08 -0.02 0.00 -1.26 0.00 0.00 59.98 58.53 1i9y h ARG 855 Cb 1.04 -0.12 0.00 0.00 -1.65 0.00 0.00 29.97 29.25 1i9y h ARG 855 CO 1.32 0.52 -0.23 1.49 0.56 0.00 0.00 179.97 183.64 1i9y h GLU 856 N 0.64 -0.61 -0.40 0.04 4.81 -1.97 0.49 114.58 117.57 1i9y h GLU 856 Ca 0.16 0.04 0.01 0.00 -0.13 0.00 0.00 59.36 59.44 1i9y h GLU 856 Cb 0.11 0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.61 1i9y h GLU 856 CO -0.02 -0.32 0.27 -0.22 -0.73 0.00 0.00 179.01 177.99 1i9y h LYS 857 N -0.85 0.51 -0.09 1.92 3.64 -1.92 -1.93 116.57 117.84 1i9y h LYS 857 Ca -0.06 -0.03 -0.16 0.00 -1.27 0.00 0.00 60.65 59.12 1i9y h LYS 857 Cb 0.57 -0.11 0.01 0.00 -0.41 0.00 0.00 32.23 32.29 1i9y h LYS 857 CO 0.11 0.34 -0.57 -0.22 -2.27 0.00 0.00 179.45 176.83 1i9y h LYS 858 N 0.52 0.56 0.00 1.90 3.64 -1.16 -2.55 116.57 119.48 1i9y h LYS 858 Ca 0.15 -0.47 -0.05 0.00 -1.27 0.00 0.00 60.65 59.01 1i9y h LYS 858 Cb -0.02 0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.89 1i9y h LYS 858 CO -0.03 1.10 -0.22 -0.22 -2.27 0.00 0.00 179.45 177.80 1i9y h LYS 859 N 0.17 0.00 0.11 1.90 3.11 -0.52 -0.34 116.57 121.00 1i9y h LYS 859 Ca -0.04 0.00 -0.01 0.00 -2.81 0.00 0.00 60.65 57.79 1i9y h LYS 859 Cb 1.22 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.46 1i9y h LYS 859 CO 0.12 0.22 -0.05 0.82 -2.81 0.00 0.00 179.45 177.75 1i9y h ILE 860 N 0.00 1.09 -0.94 2.00 2.04 -1.30 -2.02 117.51 118.39 1i9y h ILE 860 Ca -0.00 -1.03 0.00 0.00 1.00 0.00 0.00 64.86 64.83 1i9y h ILE 860 Cb 0.48 1.72 -0.05 0.00 -0.74 0.00 0.00 36.82 38.23 1i9y h ILE 860 CO 0.03 0.24 0.59 -0.07 0.00 0.00 0.00 178.15 178.94 1i9y h LEU 861 N -0.65 1.10 0.47 1.44 3.38 -1.17 -0.28 115.31 119.58 1i9y h LEU 861 Ca -0.02 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 1i9y h LEU 861 Cb 0.51 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1i9y h LEU 861 CO 0.03 0.82 -0.32 0.15 0.09 0.00 0.00 178.44 179.20 1i9y h PHE 862 N 1.28 -0.86 -0.43 1.13 3.57 -1.04 0.28 116.94 120.87 1i9y h PHE 862 Ca 0.34 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.86 1i9y h PHE 862 Cb -0.10 0.31 -0.02 0.00 2.79 0.00 0.00 35.95 38.93 1i9y h PHE 862 CO 0.00 -0.48 0.29 0.93 -2.23 0.00 0.00 178.31 176.82 1i9y h GLU 863 N -0.77 0.47 0.25 1.11 4.39 -1.11 0.33 114.58 119.26 1i9y h GLU 863 Ca -0.05 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.61 1i9y h GLU 863 Cb 0.64 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.19 1i9y h GLU 863 CO 0.03 0.31 -0.12 1.49 -1.16 0.00 0.00 179.01 179.56 1i9y h GLU 864 N 0.49 -0.33 -0.34 2.33 4.81 -0.50 -0.98 114.58 120.06 1i9y h GLU 864 Ca 0.17 0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.41 1i9y h GLU 864 Cb 0.08 0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.52 1i9y h GLU 864 CO -0.04 0.01 0.14 -0.07 -0.73 0.00 0.00 179.01 178.33 1i9y h LEU 865 N -0.74 0.42 -0.08 1.64 -0.00 -0.16 -0.28 115.31 116.10 1i9y h LEU 865 Ca -0.03 -0.04 -0.01 0.00 -0.00 0.00 0.00 57.88 57.80 1i9y h LEU 865 Cb 0.50 -0.11 -0.00 0.00 -0.00 0.00 0.00 40.66 41.04 1i9y h LEU 865 CO 0.06 0.39 0.00 0.22 -0.00 0.00 0.00 178.44 179.11 1i9y h TYR 866 N 0.48 0.16 -0.13 1.13 3.20 -0.25 -1.63 116.97 119.92 1i9y h TYR 866 Ca 0.12 -0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.95 1i9y h TYR 866 Cb 0.09 -0.04 -0.00 0.00 1.54 0.00 0.00 36.73 38.31 1i9y h TYR 866 CO 0.00 0.39 0.01 -0.91 -1.64 0.00 0.00 178.16 176.02 1i9y h ASN 867 N -0.13 0.22 -0.80 -2.11 2.35 -0.88 0.13 115.58 114.35 1i9y h ASN 867 Ca 0.02 -0.28 0.12 0.00 -0.55 0.00 0.00 56.30 55.62 1i9y h ASN 867 Cb 0.33 -0.06 -0.08 0.00 0.05 0.00 0.00 38.32 38.56 1i9y h ASN 867 CO 0.00 0.44 0.41 -0.61 -1.65 0.00 0.00 177.43 176.03 1i9y h GLN 868 N -0.02 0.62 -0.44 0.81 4.15 -1.08 0.44 115.11 119.59 1i9y h GLN 868 Ca 0.04 -0.04 -0.14 0.00 0.77 0.00 0.00 58.65 59.28 1i9y h GLN 868 Cb 0.32 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 27.86 1i9y h GLN 868 CO 0.00 0.41 -0.29 -0.09 -1.93 0.00 0.00 178.83 176.93 1i9y h ARG 869 N 0.63 0.98 -0.29 1.69 9.65 -1.07 0.73 114.38 126.71 1i9y h ARG 869 Ca 0.42 -0.46 -0.07 0.00 -1.10 0.00 0.00 59.98 58.77 1i9y h ARG 869 Cb 0.53 -0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 29.08 1i9y h ARG 869 CO -0.32 1.13 -0.13 -0.22 2.80 0.00 0.00 179.97 183.23 1i9y h LYS 870 N 0.82 0.50 -0.06 0.20 3.64 0.72 -1.93 116.57 120.46 1i9y h LYS 870 Ca 0.09 -0.15 -0.04 0.00 -1.27 0.00 0.00 60.65 59.29 1i9y h LYS 870 Cb 0.88 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.65 1i9y h LYS 870 CO 0.08 0.62 -0.11 0.37 -2.27 0.00 0.00 179.45 178.15 1i9y h GLN 871 N 0.46 0.18 -0.72 1.90 5.75 0.01 -2.12 115.11 120.57 1i9y h GLN 871 Ca 0.08 -0.11 0.19 0.00 -0.15 0.00 0.00 58.65 58.66 1i9y h GLN 871 Cb 0.50 0.01 -0.04 0.00 1.07 0.00 0.00 27.48 29.03 1i9y h GLN 871 CO 0.03 0.69 0.50 0.93 -2.65 0.00 0.00 178.83 178.33 1i9y h GLU 872 N -0.31 0.12 0.00 1.69 5.08 -0.66 0.37 114.58 120.87 1i9y h GLU 872 Ca 0.00 -0.01 -0.18 0.00 -1.00 0.00 0.00 59.36 58.17 1i9y h GLU 872 Cb 0.68 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.88 1i9y h GLU 872 CO 0.02 0.08 -0.85 0.28 -1.00 0.00 0.00 179.01 177.55 1i9y h VAL 873 N 0.12 1.55 0.21 3.13 2.07 -1.10 -2.69 116.25 119.55 1i9y h VAL 873 Ca 0.35 -2.74 -0.01 0.00 0.82 0.00 0.00 66.70 65.12 1i9y h VAL 873 Cb 1.20 2.50 0.00 0.00 -1.52 0.00 0.00 31.29 33.47 1i9y h VAL 873 CO -0.05 0.79 -0.10 0.03 0.02 0.00 0.00 177.57 178.26 1i9y h ARG 874 N 0.04 -0.27 -0.91 1.57 3.08 0.35 -2.85 114.38 115.39 1i9y h ARG 874 Ca -0.02 0.02 0.06 0.00 0.07 0.00 0.00 59.98 60.11 1i9y h ARG 874 Cb 1.48 0.06 -0.06 0.00 0.08 0.00 0.00 29.97 31.53 1i9y h ARG 874 CO 0.12 0.10 0.59 -0.44 -1.07 0.00 0.00 179.97 179.27 1i9y h ASP 875 N -0.72 0.92 0.63 7.04 3.32 -1.26 -0.68 116.42 125.66 1i9y h ASP 875 Ca -0.03 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.03 1i9y h ASP 875 Cb 0.50 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 39.85 1i9y h ASP 875 CO 0.05 0.59 -0.00 0.00 -1.72 0.00 0.00 179.24 178.16 1i9y h ALA 876 N 1.50 1.00 -0.98 3.45 0.00 -1.46 -2.40 119.26 120.38 1i9y h ALA 876 Ca 0.39 -0.00 -0.51 0.00 0.00 0.00 0.00 54.91 54.78 1i9y h ALA 876 Cb 0.18 -0.00 -0.30 0.00 0.00 0.00 0.00 17.79 17.66 1i9y h ALA 876 CO -0.14 0.00 0.64 0.43 0.00 0.00 0.00 179.25 180.18 1i9y n SER 877 N -3.09 3.79 0.00 0.00 7.64 -0.26 -5.09 113.62 116.61 1i9y n SER 877 Ca -0.01 -3.62 0.00 0.00 1.01 0.00 0.00 58.87 56.25 1i9y n SER 877 Cb 0.22 -0.84 0.00 0.00 -1.01 0.00 0.00 64.21 62.58 1i9y n SER 877 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03