#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hcn s LYS 566 N 0.00 2.72 0.16 5.56 -2.85 -1.26 -4.78 119.74 119.29 3hcn s LYS 566 Ca 0.00 1.92 -0.34 0.00 -1.00 0.00 0.00 55.97 56.56 3hcn s LYS 566 Cb 0.00 -1.88 -0.15 0.00 -2.06 0.00 0.00 37.83 33.74 3hcn s LYS 566 CO 0.00 -1.43 1.44 -0.35 0.10 0.00 0.00 175.35 175.11 3hcn n PRO 567 N -1.83 1.79 -0.10 1.78 -0.04 -1.26 -4.47 135.00 130.87 3hcn n PRO 567 Ca 0.15 0.64 -0.20 0.00 -0.04 0.00 0.00 63.50 64.05 3hcn n PRO 567 Cb 0.49 -2.33 -0.08 0.00 -0.04 0.00 0.00 33.50 31.54 3hcn n PRO 567 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 3hcn n LYS 568 N 2.74 0.44 -4.36 0.54 4.81 -0.45 -4.57 118.16 117.32 3hcn n LYS 568 Ca 0.16 0.17 -0.34 0.00 -0.87 0.00 0.00 58.31 57.43 3hcn n LYS 568 Cb 0.27 -1.26 -0.15 0.00 0.02 0.00 0.00 35.03 33.91 3hcn n LYS 568 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 3hcn s THR 569 N -2.37 2.75 -0.17 3.15 2.01 -0.95 -1.34 115.64 118.72 3hcn s THR 569 Ca -0.28 -0.73 -0.06 0.00 0.31 0.00 0.00 61.69 60.94 3hcn s THR 569 Cb 0.10 -2.18 -0.03 0.00 0.01 0.00 0.00 72.50 70.39 3hcn s THR 569 CO 0.38 0.50 0.02 -0.83 -0.69 0.00 0.00 174.62 174.00 3hcn s GLY 570 N 0.99 1.83 -0.36 4.40 0.00 0.07 -1.15 107.32 113.10 3hcn s GLY 570 Ca -0.02 -0.77 -0.06 0.00 0.00 0.00 0.00 44.72 43.86 3hcn s GLY 570 CO -0.02 -0.01 0.14 -0.42 0.00 0.00 0.00 173.10 172.79 3hcn s ILE 571 N 0.34 3.78 -0.51 0.90 1.09 0.16 -0.64 121.20 126.32 3hcn s ILE 571 Ca 0.00 -1.27 -0.24 0.00 -1.10 0.00 0.00 60.65 58.04 3hcn s ILE 571 Cb -0.13 -3.21 0.04 0.00 -1.06 0.00 0.00 42.46 38.09 3hcn s ILE 571 CO 0.01 -0.28 0.87 -0.22 -0.10 0.00 0.00 174.94 175.22 3hcn s LEU 572 N 1.38 4.21 -0.46 2.97 2.96 0.57 -0.65 118.68 129.65 3hcn s LEU 572 Ca -0.00 -0.27 -0.27 0.00 -0.22 0.00 0.00 54.13 53.37 3hcn s LEU 572 Cb -0.20 -2.88 0.03 0.00 0.50 0.00 0.00 46.19 43.63 3hcn s LEU 572 CO 0.02 -1.08 1.01 -0.04 -1.32 0.00 0.00 176.35 174.94 3hcn s MET 573 N 3.62 3.63 -0.15 1.98 -1.94 0.11 -0.84 119.30 125.71 3hcn s MET 573 Ca 0.30 0.36 -0.13 0.00 -1.71 0.00 0.00 55.69 54.51 3hcn s MET 573 Cb -0.13 -3.91 -0.05 0.00 2.01 0.00 0.00 34.83 32.76 3hcn s MET 573 CO 0.20 -1.27 0.28 -0.51 -0.01 0.00 0.00 175.02 173.72 3hcn s LEU 574 N 4.02 4.27 0.27 -0.03 1.43 -0.65 -0.99 118.68 127.01 3hcn s LEU 574 Ca 0.42 0.52 -0.21 0.00 -1.03 0.00 0.00 54.13 53.83 3hcn s LEU 574 Cb -0.09 -2.35 0.03 0.00 0.03 0.00 0.00 46.19 43.81 3hcn s LEU 574 CO 0.28 0.15 0.74 0.21 0.23 0.00 0.00 176.35 177.96 3hcn s ASN 575 N 0.21 -0.24 0.36 2.29 3.84 -1.11 -0.53 114.94 119.76 3hcn s ASN 575 Ca 0.16 -0.61 0.19 0.00 0.21 0.00 0.00 52.86 52.81 3hcn s ASN 575 Cb -0.13 0.71 0.55 0.00 -0.55 0.00 0.00 41.25 41.83 3hcn s ASN 575 CO 0.04 -1.32 1.67 0.00 -2.79 0.00 0.00 177.10 174.70 3hcn h MET 576 N 2.00 0.00 0.00 0.43 -0.00 -1.93 -0.49 114.93 114.93 3hcn h MET 576 Ca -0.20 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.50 3hcn h MET 576 Cb 1.25 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.85 3hcn h MET 576 CO 0.24 0.38 0.00 0.41 -0.00 0.00 0.00 176.91 177.94 3hcn n GLY 577 N 0.51 -2.16 3.53 -3.00 0.00 -1.26 -1.83 105.19 100.98 3hcn n GLY 577 Ca 0.00 -1.58 -0.10 0.00 0.00 0.00 0.00 46.02 44.34 3hcn n GLY 577 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hcn s GLY 578 N -0.96 -0.41 -0.10 -0.02 0.00 -1.26 -4.95 107.32 99.62 3hcn s GLY 578 Ca 0.00 1.40 -0.29 0.00 0.00 0.00 0.00 44.72 45.82 3hcn s GLY 578 CO 0.00 0.65 1.58 2.56 0.00 0.00 0.00 173.10 177.88 3hcn s PRO 579 N -2.21 4.14 0.27 2.90 0.04 -1.26 -4.77 135.00 134.11 3hcn s PRO 579 Ca 0.01 2.03 -0.03 0.00 0.04 0.00 0.00 61.00 63.04 3hcn s PRO 579 Cb -0.01 -3.95 0.36 0.00 0.04 0.00 0.00 34.50 30.94 3hcn s PRO 579 CO -0.03 -0.88 1.88 1.49 0.04 0.00 0.00 177.00 179.50 3hcn h GLU 580 N 9.45 1.04 -4.96 4.56 4.81 -1.91 0.13 114.58 127.70 3hcn h GLU 580 Ca -0.36 -0.13 -0.35 0.00 -0.13 0.00 0.00 59.36 58.39 3hcn h GLU 580 Cb 1.16 -0.20 -0.14 0.00 0.63 0.00 0.00 28.75 30.20 3hcn h GLU 580 CO 0.96 0.79 -0.64 0.95 -0.73 0.00 0.00 179.01 180.34 3hcn s THR 581 N -5.64 0.81 0.57 0.32 -4.23 -1.26 -4.12 115.64 102.10 3hcn s THR 581 Ca -0.11 -2.01 0.34 0.00 -1.18 0.00 0.00 61.69 58.73 3hcn s THR 581 Cb 0.17 -2.39 0.38 0.00 1.34 0.00 0.00 72.50 72.00 3hcn s THR 581 CO 0.81 -0.26 2.26 -0.07 -0.54 0.00 0.00 174.62 176.82 3hcn h LEU 582 N 2.49 0.00 -0.20 4.79 3.38 -1.85 -0.14 115.31 123.78 3hcn h LEU 582 Ca -0.38 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.59 3hcn h LEU 582 Cb 1.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.98 3hcn h LEU 582 CO 0.63 0.02 0.00 0.61 0.09 0.00 0.00 178.44 179.79 3hcn n GLY 583 N -1.10 -1.37 0.12 0.83 0.00 -1.26 -2.85 105.19 99.56 3hcn n GLY 583 Ca -0.03 -0.02 0.11 0.00 0.00 0.00 0.00 46.02 46.09 3hcn n GLY 583 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3hcn n ASP 584 N -1.91 0.97 0.03 1.61 8.00 -0.07 -4.49 116.55 120.70 3hcn n ASP 584 Ca 0.04 -0.78 -0.10 0.00 0.71 0.00 0.00 54.79 54.66 3hcn n ASP 584 Cb 0.29 0.47 -0.04 0.00 -0.02 0.00 0.00 41.12 41.83 3hcn n ASP 584 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 3hcn h VAL 585 N 0.60 0.54 -0.16 2.53 2.07 -1.58 -2.34 116.25 117.90 3hcn h VAL 585 Ca 0.00 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.57 3hcn h VAL 585 Cb 0.54 0.54 -0.07 0.00 -1.52 0.00 0.00 31.29 30.78 3hcn h VAL 585 CO 0.00 0.00 -0.32 -0.74 0.02 0.00 0.00 177.57 176.53 3hcn h HIS 586 N -0.27 -0.87 -0.43 1.57 -0.00 -1.81 -0.51 115.15 112.82 3hcn h HIS 586 Ca 0.08 0.04 -0.02 0.00 -0.00 0.00 0.00 60.37 60.47 3hcn h HIS 586 Cb 0.38 0.41 -0.02 0.00 -0.00 0.00 0.00 27.41 28.18 3hcn h HIS 586 CO -0.27 -0.39 0.20 -0.44 -0.00 0.00 0.00 177.93 177.03 3hcn h ASP 587 N -0.37 0.54 0.01 3.26 3.32 -1.84 -0.20 116.42 121.13 3hcn h ASP 587 Ca 0.10 -0.05 -0.00 0.00 0.02 0.00 0.00 57.03 57.11 3hcn h ASP 587 Cb 0.54 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.95 3hcn h ASP 587 CO -0.37 0.47 -0.00 0.15 -1.72 0.00 0.00 179.24 177.76 3hcn h PHE 588 N 0.60 -0.01 -0.21 4.55 3.57 -0.73 -2.32 116.94 122.39 3hcn h PHE 588 Ca 0.15 -0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.54 3hcn h PHE 588 Cb 0.08 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.81 3hcn h PHE 588 CO 0.00 0.01 -0.35 -0.07 -2.23 0.00 0.00 178.31 175.68 3hcn h LEU 589 N -0.02 0.47 0.28 0.59 3.38 -0.68 -2.36 115.31 116.98 3hcn h LEU 589 Ca -0.00 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.77 3hcn h LEU 589 Cb 0.02 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.64 3hcn h LEU 589 CO 0.00 0.79 -0.14 0.25 0.09 0.00 0.00 178.44 179.43 3hcn h LEU 590 N 0.39 -0.34 -1.30 1.67 5.85 -0.84 -0.82 115.31 119.92 3hcn h LEU 590 Ca 0.04 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.75 3hcn h LEU 590 Cb 0.79 0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.89 3hcn h LEU 590 CO 0.06 -0.24 0.12 0.03 -0.34 0.00 0.00 178.44 178.08 3hcn h ARG 591 N -0.39 0.60 -0.16 1.25 3.08 -1.40 -2.22 114.38 115.15 3hcn h ARG 591 Ca -0.04 -0.09 -0.02 0.00 0.07 0.00 0.00 59.98 59.90 3hcn h ARG 591 Cb 0.30 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.24 3hcn h ARG 591 CO 0.06 0.53 0.01 1.25 -1.07 0.00 0.00 179.97 180.76 3hcn h LEU 592 N 0.60 0.27 -0.13 3.04 6.46 -1.05 -2.63 115.31 121.86 3hcn h LEU 592 Ca 0.14 -0.28 0.00 0.00 -0.12 0.00 0.00 57.88 57.62 3hcn h LEU 592 Cb 0.19 -0.07 0.00 0.00 -0.73 0.00 0.00 40.66 40.05 3hcn h LEU 592 CO -0.01 0.49 0.00 0.49 -0.62 0.00 0.00 178.44 178.79 3hcn n PHE 593 N -4.76 0.26 1.04 1.25 3.01 -0.35 -2.24 117.46 115.67 3hcn n PHE 593 Ca -0.05 0.09 0.12 0.00 1.01 0.00 0.00 57.45 58.62 3hcn n PHE 593 Cb 0.20 -0.65 0.20 0.00 -0.01 0.00 0.00 39.48 39.22 3hcn n PHE 593 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 3hcn n LEU 594 N -1.73 0.72 -4.56 4.37 4.77 -0.85 -4.71 117.00 115.01 3hcn n LEU 594 Ca 0.04 -0.15 -0.40 0.00 -0.03 0.00 0.00 56.01 55.47 3hcn n LEU 594 Cb 0.26 -0.18 -0.03 0.00 -2.33 0.00 0.00 43.42 41.14 3hcn n LEU 594 CO 0.20 0.16 1.37 -0.62 -1.33 0.00 0.00 177.39 177.18 3hcn s ASP 595 N -2.90 5.78 0.06 -1.43 3.68 -0.95 -4.85 116.67 116.05 3hcn s ASP 595 Ca 0.13 0.04 0.17 0.00 2.13 0.00 0.00 52.55 55.01 3hcn s ASP 595 Cb 0.18 -2.54 0.71 0.00 -1.45 0.00 0.00 42.92 39.81 3hcn s ASP 595 CO 0.70 -2.04 1.53 0.54 0.13 0.00 0.00 175.17 176.02 3hcn n ARG 596 N 9.16 0.05 0.03 4.34 1.74 -1.25 -1.41 116.66 129.32 3hcn n ARG 596 Ca 0.12 0.29 0.12 0.00 -0.77 0.00 0.00 57.85 57.62 3hcn n ARG 596 Cb 0.50 -1.59 0.28 0.00 -1.02 0.00 0.00 32.46 30.64 3hcn n ARG 596 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 3hcn n ASP 597 N -1.68 0.51 -0.13 0.55 8.00 -1.26 -4.08 116.55 118.46 3hcn n ASP 597 Ca 0.03 0.03 -0.27 0.00 0.71 0.00 0.00 54.79 55.29 3hcn n ASP 597 Cb 0.19 0.06 -0.10 0.00 -0.02 0.00 0.00 41.12 41.25 3hcn n ASP 597 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 3hcn n LEU 598 N -1.75 1.94 -3.69 0.64 7.94 -0.50 -4.51 117.00 117.07 3hcn n LEU 598 Ca 0.05 0.36 -0.11 0.00 -1.11 0.00 0.00 56.01 55.20 3hcn n LEU 598 Cb 0.38 -0.84 -0.06 0.00 0.53 0.00 0.00 43.42 43.43 3hcn n LEU 598 CO 0.34 0.47 0.10 0.00 -1.11 0.00 0.00 177.39 177.20 3hcn s MET 599 N -2.50 0.97 -0.12 1.96 0.23 -0.66 -4.94 119.30 114.24 3hcn s MET 599 Ca -0.36 -0.64 0.03 0.00 -1.03 0.00 0.00 55.69 53.68 3hcn s MET 599 Cb 0.13 0.42 0.01 0.00 -1.53 0.00 0.00 34.83 33.86 3hcn s MET 599 CO 0.50 -0.35 -0.21 0.99 -2.03 0.00 0.00 175.02 173.93 3hcn s THR 600 N -3.35 1.89 0.15 3.16 2.01 -1.26 -3.90 115.64 114.34 3hcn s THR 600 Ca 0.00 -0.89 0.07 0.00 0.31 0.00 0.00 61.69 61.18 3hcn s THR 600 Cb 0.01 -1.67 -0.04 0.00 0.01 0.00 0.00 72.50 70.81 3hcn s THR 600 CO -0.09 0.52 -0.15 -0.76 -0.69 0.00 0.00 174.62 173.45 3hcn s LEU 601 N 0.73 2.44 0.44 4.42 1.43 -1.26 -5.10 118.68 121.78 3hcn s LEU 601 Ca -0.10 -0.87 -0.24 0.00 -1.03 0.00 0.00 54.13 51.89 3hcn s LEU 601 Cb -0.16 -0.64 -0.08 0.00 0.03 0.00 0.00 46.19 45.34 3hcn s LEU 601 CO 0.01 -0.13 1.18 -2.84 0.23 0.00 0.00 176.35 174.81 3hcn s PRO 602 N -2.91 3.82 -1.16 1.29 0.02 -1.26 -2.96 135.00 131.84 3hcn s PRO 602 Ca 0.13 1.82 -0.05 0.00 0.02 0.00 0.00 61.00 62.93 3hcn s PRO 602 Cb -0.04 -2.49 0.01 0.00 0.02 0.00 0.00 34.50 32.00 3hcn s PRO 602 CO 0.04 -0.51 0.09 0.44 -0.33 0.00 0.00 177.00 176.73 3hcn n ILE 603 N -0.34 -0.99 -0.34 2.83 -5.35 -1.26 -4.62 119.36 109.29 3hcn n ILE 603 Ca 0.06 -0.40 0.09 0.00 -0.27 0.00 0.00 62.75 62.24 3hcn n ILE 603 Cb 0.47 -0.94 0.29 0.00 -1.74 0.00 0.00 39.64 37.72 3hcn n ILE 603 CO 0.00 0.00 0.00 -0.61 -1.76 0.00 0.00 176.55 174.18 3hcn h GLN 604 N -1.20 0.86 0.00 6.28 4.15 -1.94 -0.19 115.11 123.06 3hcn h GLN 604 Ca -0.52 -0.05 -0.00 0.00 0.77 0.00 0.00 58.65 58.85 3hcn h GLN 604 Cb 1.09 -0.19 -0.00 0.00 0.21 0.00 0.00 27.48 28.58 3hcn h GLN 604 CO 0.52 0.57 -0.01 -0.91 -1.93 0.00 0.00 178.83 177.07 3hcn h ASN 605 N 0.88 0.00 0.02 -0.69 2.35 -1.90 0.55 115.58 116.79 3hcn h ASN 605 Ca 0.50 0.00 -0.39 0.00 -0.55 0.00 0.00 56.30 55.86 3hcn h ASN 605 Cb 0.62 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.93 3hcn h ASN 605 CO -0.27 0.01 -2.36 0.29 -1.65 0.00 0.00 177.43 173.45 3hcn n LYS 606 N -3.53 0.65 -0.03 0.81 4.76 -0.24 -4.46 118.16 116.12 3hcn n LYS 606 Ca -0.03 0.21 -0.10 0.00 -2.87 0.00 0.00 58.31 55.51 3hcn n LYS 606 Cb 0.10 -1.56 0.04 0.00 -1.84 0.00 0.00 35.03 31.77 3hcn n LYS 606 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 3hcn h LEU 607 N -0.20 0.72 -0.23 -0.35 3.38 -0.95 -3.17 115.31 114.51 3hcn h LEU 607 Ca -0.57 -0.37 0.06 0.00 0.09 0.00 0.00 57.88 57.10 3hcn h LEU 607 Cb 1.85 -0.20 -0.07 0.00 0.09 0.00 0.00 40.66 42.33 3hcn h LEU 607 CO -0.12 1.09 -0.22 0.00 0.09 0.00 0.00 178.44 179.28 3hcn h ALA 608 N 0.92 -0.11 -0.66 1.53 0.00 -1.12 0.26 119.26 120.08 3hcn h ALA 608 Ca 0.02 0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.03 3hcn h ALA 608 Cb 1.06 0.47 -0.04 0.00 0.00 0.00 0.00 17.79 19.27 3hcn h ALA 608 CO 0.10 -0.65 0.41 -1.35 0.00 0.00 0.00 179.25 177.76 3hcn h PRO 609 N -0.24 0.78 0.02 0.00 0.11 -1.78 -0.38 132.00 130.51 3hcn h PRO 609 Ca 0.13 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.20 3hcn h PRO 609 Cb 0.44 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 31.37 3hcn h PRO 609 CO -0.36 0.52 -0.02 0.35 -0.21 0.00 0.00 178.00 178.28 3hcn h PHE 610 N 0.81 -0.05 -0.51 0.65 3.57 -1.29 -2.13 116.94 117.99 3hcn h PHE 610 Ca 0.27 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.76 3hcn h PHE 610 Cb 0.02 0.02 -0.02 0.00 2.79 0.00 0.00 35.95 38.75 3hcn h PHE 610 CO -0.05 -0.03 0.28 0.82 -2.23 0.00 0.00 178.31 177.11 3hcn h ILE 611 N -0.04 1.17 -0.09 1.41 2.04 -0.25 -2.18 117.51 119.57 3hcn h ILE 611 Ca 0.00 -0.44 0.04 0.00 1.00 0.00 0.00 64.86 65.46 3hcn h ILE 611 Cb 0.04 0.53 -0.04 0.00 -0.74 0.00 0.00 36.82 36.61 3hcn h ILE 611 CO -0.01 0.18 -0.14 0.00 0.00 0.00 0.00 178.15 178.19 3hcn h ALA 612 N 1.12 -0.09 -0.58 1.87 0.00 -0.91 -1.08 119.26 119.60 3hcn h ALA 612 Ca 0.18 0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.15 3hcn h ALA 612 Cb 0.04 0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 3hcn h ALA 612 CO -0.03 -0.60 0.36 0.87 0.00 0.00 0.00 179.25 179.85 3hcn h LYS 613 N -0.19 0.70 -0.29 0.00 6.56 -1.28 -0.51 116.57 121.56 3hcn h LYS 613 Ca 0.08 -0.04 -0.04 0.00 -1.06 0.00 0.00 60.65 59.58 3hcn h LYS 613 Cb 0.30 -0.16 -0.02 0.00 -0.57 0.00 0.00 32.23 31.79 3hcn h LYS 613 CO -0.20 0.46 -0.00 -0.09 -2.06 0.00 0.00 179.45 177.56 3hcn h ARG 614 N 0.72 0.44 0.00 3.15 2.43 -0.94 -3.13 114.38 117.05 3hcn h ARG 614 Ca 0.23 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.31 3hcn h ARG 614 Cb -0.01 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.47 3hcn h ARG 614 CO -0.08 0.47 -1.12 0.54 -1.51 0.00 0.00 179.97 178.27 3hcn n ARG 615 N -4.31 0.25 -0.22 0.20 1.74 -0.45 -4.48 116.66 109.40 3hcn n ARG 615 Ca 0.01 -0.03 0.03 0.00 -0.77 0.00 0.00 57.85 57.09 3hcn n ARG 615 Cb 0.23 -1.56 0.13 0.00 -1.02 0.00 0.00 32.46 30.24 3hcn n ARG 615 CO 0.00 0.00 0.00 1.15 -1.52 0.00 0.00 177.63 177.26 3hcn h THR 616 N 0.00 0.52 -0.14 0.55 2.02 -1.03 -1.25 112.91 113.57 3hcn h THR 616 Ca 0.00 -0.07 0.02 0.00 0.77 0.00 0.00 66.41 67.13 3hcn h THR 616 Cb 0.70 0.31 -0.02 0.00 -1.74 0.00 0.00 68.15 67.40 3hcn h THR 616 CO 0.00 0.03 0.02 -0.65 0.37 0.00 0.00 175.52 175.29 3hcn h PRO 617 N 0.19 0.07 -0.43 6.66 0.11 -1.78 0.74 132.00 137.55 3hcn h PRO 617 Ca 0.36 -0.00 0.02 0.00 0.11 0.00 0.00 66.00 66.48 3hcn h PRO 617 Cb 0.59 -0.02 -0.03 0.00 0.11 0.00 0.00 31.00 31.65 3hcn h PRO 617 CO -0.51 0.05 0.26 -0.22 -0.21 0.00 0.00 178.00 177.37 3hcn h LYS 618 N 0.07 0.51 -0.16 1.05 3.64 -1.71 -1.63 116.57 118.34 3hcn h LYS 618 Ca 0.06 -0.03 -0.12 0.00 -1.27 0.00 0.00 60.65 59.29 3hcn h LYS 618 Cb 0.06 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.75 3hcn h LYS 618 CO -0.09 0.34 -0.43 0.82 -2.27 0.00 0.00 179.45 177.82 3hcn h ILE 619 N 0.53 1.31 -0.55 2.00 1.08 -1.05 -1.58 117.51 119.25 3hcn h ILE 619 Ca 0.17 -1.59 -0.05 0.00 -0.39 0.00 0.00 64.86 63.00 3hcn h ILE 619 Cb -0.00 1.67 -0.02 0.00 -3.07 0.00 0.00 36.82 35.39 3hcn h ILE 619 CO -0.07 0.49 0.15 1.56 -0.69 0.00 0.00 178.15 179.58 3hcn h GLN 620 N 0.31 0.87 -0.53 2.37 4.20 -0.56 -1.18 115.11 120.58 3hcn h GLN 620 Ca 0.02 -0.20 0.01 0.00 0.06 0.00 0.00 58.65 58.54 3hcn h GLN 620 Cb 0.89 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 28.52 3hcn h GLN 620 CO 0.07 0.81 0.34 1.49 -0.67 0.00 0.00 178.83 180.87 3hcn h GLU 621 N 0.77 0.67 -0.73 1.46 4.57 -1.02 0.51 114.58 120.81 3hcn h GLU 621 Ca 0.17 -0.04 0.01 0.00 -1.18 0.00 0.00 59.36 58.32 3hcn h GLU 621 Cb 0.32 -0.15 -0.04 0.00 -0.16 0.00 0.00 28.75 28.72 3hcn h GLU 621 CO -0.00 0.44 0.48 1.96 -1.18 0.00 0.00 179.01 180.71 3hcn h GLN 622 N 0.69 0.97 -0.00 1.92 1.08 -0.88 -1.49 115.11 117.40 3hcn h GLN 622 Ca 0.20 -0.06 -0.12 0.00 -1.45 0.00 0.00 58.65 57.21 3hcn h GLN 622 Cb -0.05 -0.22 -0.02 0.00 -0.05 0.00 0.00 27.48 27.15 3hcn h GLN 622 CO -0.06 0.65 -0.58 1.88 -0.95 0.00 0.00 178.83 179.77 3hcn h TYR 623 N 0.99 0.00 -0.60 2.96 -1.99 -0.78 -2.68 116.97 114.87 3hcn h TYR 623 Ca 0.27 -0.00 -0.05 0.00 2.00 0.00 0.00 58.73 60.94 3hcn h TYR 623 Cb -0.10 -0.00 -0.03 0.00 2.00 0.00 0.00 36.73 38.60 3hcn h TYR 623 CO -0.02 0.58 0.17 -0.09 -0.00 0.00 0.00 178.16 178.80 3hcn h ARG 624 N 0.00 0.93 0.00 4.88 2.43 -0.20 0.24 114.38 122.66 3hcn h ARG 624 Ca -0.01 -0.19 -0.00 0.00 -0.81 0.00 0.00 59.98 58.97 3hcn h ARG 624 Cb 1.03 -0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 30.44 3hcn h ARG 624 CO 0.08 0.82 -0.02 0.00 -1.51 0.00 0.00 179.97 179.33 3hcn h ARG 625 N 0.89 0.00 -0.29 0.20 2.47 -0.94 -2.67 114.38 114.05 3hcn h ARG 625 Ca 0.20 0.00 -0.09 0.00 -1.26 0.00 0.00 59.98 58.82 3hcn h ARG 625 Cb 0.29 0.00 -0.06 0.00 -1.65 0.00 0.00 29.97 28.56 3hcn h ARG 625 CO -0.00 0.02 -0.03 0.44 0.56 0.00 0.00 179.97 180.95 3hcn n ILE 626 N -3.20 2.40 0.00 2.04 -5.35 -0.78 -4.93 119.36 109.53 3hcn n ILE 626 Ca -0.02 -2.34 0.00 0.00 -0.27 0.00 0.00 62.75 60.12 3hcn n ILE 626 Cb 0.17 -0.29 0.00 0.00 -1.74 0.00 0.00 39.64 37.78 3hcn n ILE 626 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3hcn n GLY 627 N -0.90 1.96 0.00 3.28 0.00 -1.01 -4.68 105.19 103.84 3hcn n GLY 627 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.29 3hcn n GLY 627 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hcn n GLY 628 N -0.06 1.26 0.00 -0.02 0.00 0.76 -4.95 105.19 102.18 3hcn n GLY 628 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3hcn n GLY 628 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hcn n GLY 629 N -1.34 -2.36 3.77 -0.02 0.00 -1.14 -3.24 105.19 100.87 3hcn n GLY 629 Ca 0.00 -1.38 -0.37 0.00 0.00 0.00 0.00 46.02 44.28 3hcn n GLY 629 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3hcn s SER 630 N -0.59 6.46 -0.02 1.61 0.15 0.47 -4.93 113.70 116.84 3hcn s SER 630 Ca 0.00 0.54 0.13 0.00 0.70 0.00 0.00 55.95 57.32 3hcn s SER 630 Cb 0.00 -2.16 0.42 0.00 -1.71 0.00 0.00 66.02 62.58 3hcn s SER 630 CO 0.00 0.21 1.33 -0.81 1.20 0.00 0.00 173.24 175.17 3hcn n PRO 631 N 2.98 2.28 -0.24 5.44 -0.04 -1.26 -4.43 135.00 139.72 3hcn n PRO 631 Ca -0.14 -1.71 0.10 0.00 -0.04 0.00 0.00 63.50 61.71 3hcn n PRO 631 Cb 0.53 -1.45 0.38 0.00 -0.04 0.00 0.00 33.50 32.91 3hcn n PRO 631 CO 0.00 0.00 0.00 0.97 -0.04 0.00 0.00 175.50 176.43 3hcn h ILE 632 N 2.68 0.89 -0.21 0.52 2.10 -1.92 -1.94 117.51 119.63 3hcn h ILE 632 Ca 0.00 -0.24 -0.03 0.00 1.08 0.00 0.00 64.86 65.67 3hcn h ILE 632 Cb 0.74 0.13 -0.01 0.00 -1.09 0.00 0.00 36.82 36.59 3hcn h ILE 632 CO 0.05 0.13 0.01 0.50 -1.08 0.00 0.00 178.15 177.75 3hcn h LYS 633 N 0.70 0.37 -0.36 2.19 3.64 -1.91 -0.49 116.57 120.71 3hcn h LYS 633 Ca 0.40 -0.11 -0.02 0.00 -1.27 0.00 0.00 60.65 59.65 3hcn h LYS 633 Cb 0.59 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.36 3hcn h LYS 633 CO -0.17 0.55 0.15 0.82 -2.27 0.00 0.00 179.45 178.53 3hcn h ILE 634 N 0.14 1.18 -0.54 2.00 1.08 -1.79 -1.78 117.51 117.80 3hcn h ILE 634 Ca 0.06 -0.56 -0.08 0.00 -0.39 0.00 0.00 64.86 63.90 3hcn h ILE 634 Cb 0.38 0.89 -0.02 0.00 -3.07 0.00 0.00 36.82 35.00 3hcn h ILE 634 CO 0.01 0.20 0.04 -0.50 -0.69 0.00 0.00 178.15 177.20 3hcn h TRP 635 N 0.43 1.01 -0.73 1.37 -0.00 -1.35 -1.51 115.95 115.17 3hcn h TRP 635 Ca 0.12 -0.16 -0.03 0.00 -0.00 0.00 0.00 58.89 58.82 3hcn h TRP 635 Cb 0.17 -0.27 -0.03 0.00 -0.00 0.00 0.00 29.16 29.03 3hcn h TRP 635 CO -0.01 0.91 0.34 1.15 -0.00 0.00 0.00 178.44 180.83 3hcn h THR 636 N 0.82 1.24 -0.24 1.49 2.02 -0.98 -0.98 112.91 116.27 3hcn h THR 636 Ca 0.16 -0.70 -0.02 0.00 0.77 0.00 0.00 66.41 66.61 3hcn h THR 636 Cb 0.49 0.34 -0.01 0.00 -1.74 0.00 0.00 68.15 67.23 3hcn h THR 636 CO 0.02 0.29 0.06 0.28 0.37 0.00 0.00 175.52 176.54 3hcn h SER 637 N 1.03 0.37 -0.66 4.18 0.02 -1.18 0.12 113.55 117.44 3hcn h SER 637 Ca 0.25 -0.23 0.01 0.00 -0.84 0.00 0.00 61.79 60.98 3hcn h SER 637 Cb 0.14 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 62.55 3hcn h SER 637 CO -0.03 0.50 0.43 0.11 -1.14 0.00 0.00 176.83 176.71 3hcn h LYS 638 N 0.22 0.86 -0.43 3.45 1.79 -1.06 0.08 116.57 121.47 3hcn h LYS 638 Ca 0.08 -0.05 -0.11 0.00 -2.18 0.00 0.00 60.65 58.39 3hcn h LYS 638 Cb 0.28 -0.19 -0.02 0.00 -1.58 0.00 0.00 32.23 30.72 3hcn h LYS 638 CO 0.00 0.57 -0.17 1.96 -1.08 0.00 0.00 179.45 180.73 3hcn h GLN 639 N 0.88 0.83 -0.71 3.15 1.08 -1.02 -2.07 115.11 117.26 3hcn h GLN 639 Ca 0.24 -0.31 -0.05 0.00 -1.45 0.00 0.00 58.65 57.08 3hcn h GLN 639 Cb -0.09 -0.05 -0.03 0.00 -0.05 0.00 0.00 27.48 27.26 3hcn h GLN 639 CO -0.06 0.94 0.25 0.78 -0.95 0.00 0.00 178.83 179.78 3hcn h GLY 640 N 0.96 1.15 0.86 3.46 0.00 -0.04 0.70 103.07 110.16 3hcn h GLY 640 Ca 0.11 -0.65 -0.04 0.00 0.00 0.00 0.00 47.33 46.76 3hcn h GLY 640 CO 0.05 0.61 0.01 0.83 0.00 0.00 0.00 176.54 178.04 3hcn h GLU 641 N 1.04 0.46 -0.68 4.80 5.08 -0.83 -1.09 114.58 123.36 3hcn h GLU 641 Ca 0.23 -0.14 -0.05 0.00 -1.00 0.00 0.00 59.36 58.41 3hcn h GLU 641 Cb 0.25 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.43 3hcn h GLU 641 CO -0.01 0.62 0.25 0.78 -1.00 0.00 0.00 179.01 179.64 3hcn h GLY 642 N 0.25 1.10 0.80 -3.84 0.00 -1.08 -1.62 103.07 98.68 3hcn h GLY 642 Ca 0.08 -0.60 -0.00 0.00 0.00 0.00 0.00 47.33 46.80 3hcn h GLY 642 CO 0.01 0.56 -0.03 1.98 0.00 0.00 0.00 176.54 179.06 3hcn h MET 643 N 0.99 -0.09 -0.62 4.80 1.85 -0.70 -2.82 114.93 118.35 3hcn h MET 643 Ca 0.23 0.01 0.04 0.00 -0.61 0.00 0.00 59.70 59.37 3hcn h MET 643 Cb 0.23 0.02 -0.05 0.00 0.43 0.00 0.00 31.60 32.23 3hcn h MET 643 CO -0.01 0.13 0.36 0.28 -0.40 0.00 0.00 176.91 177.26 3hcn h VAL 644 N -0.29 1.02 -0.39 -5.77 2.07 -1.05 -0.68 116.25 111.16 3hcn h VAL 644 Ca -0.01 -0.24 0.08 0.00 0.82 0.00 0.00 66.70 67.35 3hcn h VAL 644 Cb 0.25 0.26 -0.08 0.00 -1.52 0.00 0.00 31.29 30.21 3hcn h VAL 644 CO 0.02 0.13 -0.13 0.11 0.02 0.00 0.00 177.57 177.71 3hcn h LYS 645 N 0.69 -0.04 -0.40 1.57 1.79 -1.21 -1.71 116.57 117.26 3hcn h LYS 645 Ca 0.27 0.00 -0.12 0.00 -2.18 0.00 0.00 60.65 58.62 3hcn h LYS 645 Cb 0.10 0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 30.75 3hcn h LYS 645 CO -0.14 -0.03 -0.21 -0.07 -1.08 0.00 0.00 179.45 177.92 3hcn h LEU 646 N -0.04 0.87 -1.05 2.94 3.38 -1.20 -3.21 115.31 117.00 3hcn h LEU 646 Ca 0.19 -0.41 0.03 0.00 0.09 0.00 0.00 57.88 57.78 3hcn h LEU 646 Cb 0.33 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.79 3hcn h LEU 646 CO -0.42 1.09 0.64 -0.07 0.09 0.00 0.00 178.44 179.77 3hcn h LEU 647 N 0.65 1.08 -2.24 1.67 3.38 -0.66 0.34 115.31 119.53 3hcn h LEU 647 Ca 0.09 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3hcn h LEU 647 Cb 0.77 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.27 3hcn h LEU 647 CO 0.06 0.75 0.00 0.44 0.09 0.00 0.00 178.44 179.79 3hcn h ASP 648 N 1.26 0.00 0.15 -0.43 3.32 -1.32 0.64 116.42 120.04 3hcn h ASP 648 Ca 0.38 0.00 -0.36 0.00 0.02 0.00 0.00 57.03 57.07 3hcn h ASP 648 Cb -0.04 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.47 3hcn h ASP 648 CO -0.11 0.00 -2.09 -0.62 -1.72 0.00 0.00 179.24 174.70 3hcn n GLU 649 N -4.18 0.71 -0.08 3.56 -0.58 -0.77 -4.05 120.64 115.24 3hcn n GLU 649 Ca -0.03 0.22 -0.12 0.00 -0.42 0.00 0.00 57.16 56.82 3hcn n GLU 649 Cb 0.09 -1.67 -0.05 0.00 -0.57 0.00 0.00 31.44 29.25 3hcn n GLU 649 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 3hcn h LEU 650 N 0.04 0.42 -6.87 -4.62 3.38 -0.62 -3.38 115.31 103.65 3hcn h LEU 650 Ca -0.45 -0.34 -0.61 0.00 0.09 0.00 0.00 57.88 56.57 3hcn h LEU 650 Cb 2.02 -0.11 -0.41 0.00 0.09 0.00 0.00 40.66 42.25 3hcn h LEU 650 CO 0.04 0.65 -0.69 -0.55 0.09 0.00 0.00 178.44 177.99 3hcn s SER 651 N -5.97 3.84 0.34 -0.43 0.15 0.19 -4.95 113.70 106.87 3hcn s SER 651 Ca -0.14 -3.64 0.02 0.00 0.70 0.00 0.00 55.95 52.89 3hcn s SER 651 Cb 0.07 -1.29 0.60 0.00 -1.71 0.00 0.00 66.02 63.70 3hcn s SER 651 CO 0.75 -0.11 1.99 -0.65 1.20 0.00 0.00 173.24 176.42 3hcn h PRO 652 N 5.46 0.88 -0.00 5.44 0.11 -1.76 -2.56 132.00 139.57 3hcn h PRO 652 Ca 0.18 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.24 3hcn h PRO 652 Cb 0.80 -0.20 -0.00 0.00 0.11 0.00 0.00 31.00 31.71 3hcn h PRO 652 CO 0.62 0.59 0.01 -0.91 -0.21 0.00 0.00 178.00 178.09 3hcn h ASN 653 N 0.91 0.00 -0.10 -2.05 -0.26 -1.92 -1.87 115.58 110.29 3hcn h ASN 653 Ca 0.27 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.01 3hcn h ASN 653 Cb -0.04 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.22 3hcn h ASN 653 CO -0.07 0.00 0.00 0.35 -1.06 0.00 0.00 177.43 176.65 3hcn n THR 654 N -3.35 0.35 -2.31 2.81 -2.24 -0.98 -5.01 114.28 103.54 3hcn n THR 654 Ca -0.03 -0.67 -0.31 0.00 -2.27 0.00 0.00 64.05 60.77 3hcn n THR 654 Cb 0.08 0.94 -0.01 0.00 -2.10 0.00 0.00 70.33 69.24 3hcn n THR 654 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hcn s ALA 655 N -0.82 3.17 0.42 6.98 0.00 -0.70 -3.55 121.76 127.26 3hcn s ALA 655 Ca 0.13 -0.08 -0.24 0.00 0.00 0.00 0.00 51.96 51.77 3hcn s ALA 655 Cb 0.08 -2.96 -0.08 0.00 0.00 0.00 0.00 23.12 20.16 3hcn s ALA 655 CO 0.11 -0.38 1.09 -2.14 0.00 0.00 0.00 175.76 174.44 3hcn s PRO 656 N -4.54 4.02 0.05 0.00 0.02 -1.26 -4.72 135.00 128.57 3hcn s PRO 656 Ca 0.55 1.60 0.01 0.00 0.02 0.00 0.00 61.00 63.18 3hcn s PRO 656 Cb -0.10 -2.49 -0.04 0.00 0.02 0.00 0.00 34.50 31.88 3hcn s PRO 656 CO 0.42 -0.28 0.14 -1.01 -0.33 0.00 0.00 177.00 175.93 3hcn s HIS 657 N -1.62 3.37 -0.03 6.54 3.76 -1.26 -1.34 115.29 124.70 3hcn s HIS 657 Ca 0.60 0.19 -0.02 0.00 -0.15 0.00 0.00 55.06 55.68 3hcn s HIS 657 Cb -0.24 -1.71 0.02 0.00 1.11 0.00 0.00 32.58 31.76 3hcn s HIS 657 CO 0.30 0.56 0.08 0.21 -0.85 0.00 0.00 174.74 175.04 3hcn s LYS 658 N -2.33 0.06 0.03 1.40 2.20 -0.30 -4.96 119.74 115.84 3hcn s LYS 658 Ca 0.31 0.18 -0.02 0.00 -0.36 0.00 0.00 55.97 56.08 3hcn s LYS 658 Cb -0.13 -0.08 -0.04 0.00 -1.51 0.00 0.00 37.83 36.08 3hcn s LYS 658 CO 0.23 -0.08 0.21 1.52 -0.36 0.00 0.00 175.35 176.87 3hcn s TYR 659 N 0.54 3.54 -0.01 4.03 -0.85 -1.26 -0.66 117.35 122.67 3hcn s TYR 659 Ca -0.04 0.34 0.03 0.00 -0.52 0.00 0.00 57.07 56.88 3hcn s TYR 659 Cb -0.06 -1.82 -0.01 0.00 0.38 0.00 0.00 41.96 40.46 3hcn s TYR 659 CO -0.02 0.61 -0.10 0.71 -1.52 0.00 0.00 175.55 175.23 3hcn s TYR 660 N -1.42 0.94 -0.19 -3.49 1.51 0.18 -4.89 117.35 109.99 3hcn s TYR 660 Ca 0.31 -0.18 -0.14 0.00 -1.01 0.00 0.00 57.07 56.05 3hcn s TYR 660 Cb -0.13 -0.61 -0.04 0.00 -0.11 0.00 0.00 41.96 41.07 3hcn s TYR 660 CO 0.23 -0.03 0.31 0.42 -1.11 0.00 0.00 175.55 175.37 3hcn s ILE 661 N -0.19 5.28 -0.46 2.71 1.01 -1.26 0.07 121.20 128.36 3hcn s ILE 661 Ca 0.03 0.54 0.03 0.00 0.00 0.00 0.00 60.65 61.25 3hcn s ILE 661 Cb -0.05 -3.64 0.13 0.00 0.01 0.00 0.00 42.46 38.91 3hcn s ILE 661 CO -0.00 0.34 0.24 -0.83 0.00 0.00 0.00 174.94 174.68 3hcn s GLY 662 N 0.75 1.91 0.16 6.18 0.00 -0.16 -4.66 107.32 111.50 3hcn s GLY 662 Ca 0.16 -2.78 -0.20 0.00 0.00 0.00 0.00 44.72 41.90 3hcn s GLY 662 CO 0.05 1.36 0.66 -1.36 0.00 0.00 0.00 173.10 173.81 3hcn s PHE 663 N 0.20 3.74 0.13 1.90 2.99 -0.25 -2.75 117.98 123.94 3hcn s PHE 663 Ca 0.17 1.35 -0.08 0.00 0.00 0.00 0.00 56.93 58.37 3hcn s PHE 663 Cb -0.25 -2.57 -0.07 0.00 0.00 0.00 0.00 43.02 40.13 3hcn s PHE 663 CO -0.01 0.46 1.36 -0.09 -0.00 0.00 0.00 175.22 176.94 3hcn h ARG 664 N 3.94 0.65 -0.03 0.44 9.65 -0.93 -1.04 114.38 127.06 3hcn h ARG 664 Ca -0.48 -0.53 0.00 0.00 -1.10 0.00 0.00 59.98 57.87 3hcn h ARG 664 Cb 1.20 0.11 0.00 0.00 -1.39 0.00 0.00 29.97 29.89 3hcn h ARG 664 CO 0.65 1.15 0.00 0.66 2.80 0.00 0.00 179.97 185.22 3hcn n TYR 665 N -3.90 0.03 -3.96 2.20 0.53 -0.76 -4.78 117.16 106.52 3hcn n TYR 665 Ca -0.06 -0.14 -0.09 0.00 -1.02 0.00 0.00 57.90 56.58 3hcn n TYR 665 Cb 0.73 -0.01 -0.07 0.00 -1.03 0.00 0.00 39.34 38.96 3hcn n TYR 665 CO 0.00 0.00 0.00 0.14 -1.02 0.00 0.00 176.86 175.98 3hcn s VAL 666 N -0.46 0.08 0.27 -0.72 -7.23 -1.26 -4.31 120.40 106.78 3hcn s VAL 666 Ca 0.04 -1.41 -0.29 0.00 -1.81 0.00 0.00 61.98 58.51 3hcn s VAL 666 Cb 0.03 -1.79 -0.09 0.00 0.56 0.00 0.00 36.38 35.09 3hcn s VAL 666 CO 0.04 -0.36 1.11 -1.00 -0.31 0.00 0.00 175.10 174.57 3hcn s HIS 667 N -3.96 3.57 -0.10 2.82 3.76 -1.26 -2.72 115.29 117.40 3hcn s HIS 667 Ca 0.16 1.68 -0.30 0.00 -0.15 0.00 0.00 55.06 56.45 3hcn s HIS 667 Cb 0.04 -3.29 -0.02 0.00 1.11 0.00 0.00 32.58 30.42 3hcn s HIS 667 CO -0.01 -0.59 1.14 -1.25 -0.85 0.00 0.00 174.74 173.17 3hcn s PRO 668 N -1.33 4.35 0.68 8.40 0.04 -1.26 -4.98 135.00 140.90 3hcn s PRO 668 Ca 0.45 1.56 -0.14 0.00 0.04 0.00 0.00 61.00 62.92 3hcn s PRO 668 Cb -0.32 -3.59 0.01 0.00 0.04 0.00 0.00 34.50 30.64 3hcn s PRO 668 CO 0.41 -0.46 1.09 -0.51 0.04 0.00 0.00 177.00 177.56 3hcn s LEU 669 N 2.43 3.29 0.18 -3.56 1.43 -1.10 -1.09 118.68 120.26 3hcn s LEU 669 Ca 0.52 1.89 -0.15 0.00 -1.03 0.00 0.00 54.13 55.36 3hcn s LEU 669 Cb -0.21 -4.54 0.14 0.00 0.03 0.00 0.00 46.19 41.61 3hcn s LEU 669 CO 0.18 -1.64 1.68 0.74 0.23 0.00 0.00 176.35 177.54 3hcn h THR 670 N -0.26 0.61 -0.88 5.49 2.02 -1.42 -0.48 112.91 117.98 3hcn h THR 670 Ca -0.46 -0.02 0.03 0.00 0.77 0.00 0.00 66.41 66.73 3hcn h THR 670 Cb 1.23 0.54 -0.05 0.00 -1.74 0.00 0.00 68.15 68.13 3hcn h THR 670 CO 0.54 0.01 0.57 -0.33 0.37 0.00 0.00 175.52 176.69 3hcn h GLU 671 N 0.06 1.10 -0.42 6.66 3.07 -1.90 -1.34 114.58 121.81 3hcn h GLU 671 Ca 0.22 -0.07 -0.08 0.00 -0.50 0.00 0.00 59.36 58.93 3hcn h GLU 671 Cb 0.34 -0.25 -0.02 0.00 -0.84 0.00 0.00 28.75 27.98 3hcn h GLU 671 CO -0.41 0.73 -0.09 0.93 -1.40 0.00 0.00 179.01 178.76 3hcn h GLU 672 N 1.13 0.73 -0.32 2.33 5.08 -1.62 -2.28 114.58 119.63 3hcn h GLU 672 Ca 0.35 -0.22 -0.10 0.00 -1.00 0.00 0.00 59.36 58.38 3hcn h GLU 672 Cb -0.03 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 3hcn h GLU 672 CO -0.11 0.80 -0.19 0.00 -1.00 0.00 0.00 179.01 178.51 3hcn h ALA 673 N 1.24 0.46 -0.55 3.43 0.00 -0.50 -2.37 119.26 120.96 3hcn h ALA 673 Ca 0.12 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 3hcn h ALA 673 Cb 0.54 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 3hcn h ALA 673 CO 0.03 0.39 0.32 0.82 0.00 0.00 0.00 179.25 180.81 3hcn h ILE 674 N 0.46 1.18 -0.77 0.00 2.04 -1.16 -0.71 117.51 118.56 3hcn h ILE 674 Ca 0.07 -0.43 0.06 0.00 1.00 0.00 0.00 64.86 65.55 3hcn h ILE 674 Cb 0.73 0.46 -0.06 0.00 -0.74 0.00 0.00 36.82 37.21 3hcn h ILE 674 CO 0.05 0.19 0.46 -0.08 0.00 0.00 0.00 178.15 178.77 3hcn h GLU 675 N 0.74 0.82 -0.31 2.37 4.81 -1.33 -1.22 114.58 120.47 3hcn h GLU 675 Ca 0.20 -0.05 -0.15 0.00 -0.13 0.00 0.00 59.36 59.23 3hcn h GLU 675 Cb 0.02 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.21 3hcn h GLU 675 CO -0.03 0.54 -0.41 1.49 -0.73 0.00 0.00 179.01 179.87 3hcn h GLU 676 N 0.84 0.75 -0.88 1.92 4.81 -0.98 -2.43 114.58 118.62 3hcn h GLU 676 Ca 0.34 -0.40 -0.02 0.00 -0.13 0.00 0.00 59.36 59.15 3hcn h GLU 676 Cb 0.17 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.53 3hcn h GLU 676 CO -0.17 1.02 0.48 0.52 -0.73 0.00 0.00 179.01 180.13 3hcn h MET 677 N 0.61 1.22 -0.31 1.92 2.86 -0.46 -1.18 114.93 119.59 3hcn h MET 677 Ca 0.05 -0.14 -0.14 0.00 -2.06 0.00 0.00 59.70 57.41 3hcn h MET 677 Cb 0.97 -0.24 -0.01 0.00 0.06 0.00 0.00 31.60 32.38 3hcn h MET 677 CO 0.09 0.89 -0.36 0.93 1.06 0.00 0.00 176.91 179.52 3hcn h GLU 678 N 1.22 0.71 0.00 1.72 5.08 -1.17 -2.79 114.58 119.36 3hcn h GLU 678 Ca 0.31 -0.35 -0.06 0.00 -1.00 0.00 0.00 59.36 58.26 3hcn h GLU 678 Cb 0.02 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 3hcn h GLU 678 CO -0.05 0.96 -0.27 0.00 -1.00 0.00 0.00 179.01 178.65 3hcn h ARG 679 N 0.59 0.00 0.00 2.33 3.08 -0.95 -2.10 114.38 117.33 3hcn h ARG 679 Ca 0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.11 3hcn h ARG 679 Cb 0.89 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.94 3hcn h ARG 679 CO 0.08 0.27 0.00 -0.25 -1.07 0.00 0.00 179.97 179.00 3hcn n ASP 680 N -3.75 0.00 -3.70 7.04 8.00 -0.49 -4.92 116.55 118.74 3hcn n ASP 680 Ca -0.01 -0.73 -0.25 0.00 0.71 0.00 0.00 54.79 54.51 3hcn n ASP 680 Cb 0.38 -0.09 0.06 0.00 -0.02 0.00 0.00 41.12 41.45 3hcn n ASP 680 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3hcn n GLY 681 N 1.08 -0.50 3.74 0.44 0.00 -0.79 -4.80 105.19 104.35 3hcn n GLY 681 Ca 0.21 0.22 -0.34 0.00 0.00 0.00 0.00 46.02 46.10 3hcn n GLY 681 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hcn s LEU 682 N -7.19 3.44 -0.14 0.99 1.43 -1.23 -4.96 118.68 111.01 3hcn s LEU 682 Ca 0.53 2.28 -0.10 0.00 -1.03 0.00 0.00 54.13 55.81 3hcn s LEU 682 Cb -0.25 -4.58 -0.24 0.00 0.03 0.00 0.00 46.19 41.15 3hcn s LEU 682 CO 0.77 -1.92 0.32 -0.62 0.23 0.00 0.00 176.35 175.13 3hcn n GLU 683 N -2.32 0.71 -4.89 1.70 1.02 -0.45 -4.65 120.64 111.77 3hcn n GLU 683 Ca 0.13 0.33 -0.26 0.00 -0.02 0.00 0.00 57.16 57.34 3hcn n GLU 683 Cb 0.50 -1.71 -0.16 0.00 -0.02 0.00 0.00 31.44 30.06 3hcn n GLU 683 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 3hcn s ARG 684 N -2.51 1.56 -0.06 3.49 3.52 -1.10 -2.59 118.95 121.26 3hcn s ARG 684 Ca -0.24 -0.66 0.03 0.00 -0.13 0.00 0.00 55.73 54.73 3hcn s ARG 684 Cb 0.07 -1.48 0.01 0.00 -1.56 0.00 0.00 34.95 31.99 3hcn s ARG 684 CO 0.72 0.37 -0.13 0.00 -0.81 0.00 0.00 175.30 175.46 3hcn s ALA 685 N -0.35 1.30 -0.18 6.12 0.00 -0.00 -0.75 121.76 127.89 3hcn s ALA 685 Ca 0.05 -0.46 0.01 0.00 0.00 0.00 0.00 51.96 51.56 3hcn s ALA 685 Cb -0.08 -0.55 0.03 0.00 0.00 0.00 0.00 23.12 22.52 3hcn s ALA 685 CO -0.00 0.14 -0.18 0.42 0.00 0.00 0.00 175.76 176.15 3hcn s ILE 686 N 0.54 1.96 -0.73 0.00 1.01 0.19 -2.20 121.20 121.96 3hcn s ILE 686 Ca -0.13 -0.95 -0.24 0.00 0.00 0.00 0.00 60.65 59.33 3hcn s ILE 686 Cb -0.15 -1.82 0.06 0.00 0.01 0.00 0.00 42.46 40.56 3hcn s ILE 686 CO 0.04 0.46 1.13 0.00 0.00 0.00 0.00 174.94 176.56 3hcn s ALA 687 N 1.32 2.95 -0.54 9.38 0.00 -0.04 -0.32 121.76 134.52 3hcn s ALA 687 Ca 0.03 -1.72 -0.13 0.00 0.00 0.00 0.00 51.96 50.14 3hcn s ALA 687 Cb -0.14 -4.07 0.13 0.00 0.00 0.00 0.00 23.12 19.04 3hcn s ALA 687 CO -0.12 -3.05 0.46 0.12 0.00 0.00 0.00 175.76 173.18 3hcn s PHE 688 N 4.73 3.37 0.36 0.00 5.99 -0.02 -1.15 117.98 131.26 3hcn s PHE 688 Ca 0.29 -1.63 -0.28 0.00 0.00 0.00 0.00 56.93 55.32 3hcn s PHE 688 Cb -0.12 -3.67 -0.10 0.00 0.00 0.00 0.00 43.02 39.14 3hcn s PHE 688 CO 0.10 -1.00 1.35 -0.08 -0.00 0.00 0.00 175.22 175.59 3hcn s THR 689 N 1.33 2.53 -2.11 0.12 -1.32 -0.92 -1.63 115.64 113.64 3hcn s THR 689 Ca 0.06 0.52 0.20 0.00 -1.21 0.00 0.00 61.69 61.25 3hcn s THR 689 Cb -0.27 -3.32 0.51 0.00 -1.51 0.00 0.00 72.50 67.91 3hcn s THR 689 CO 0.00 0.11 1.44 0.00 -2.21 0.00 0.00 174.62 173.97 3hcn n GLN 690 N 0.56 2.35 -3.57 7.08 1.13 0.31 -4.75 117.38 120.49 3hcn n GLN 690 Ca 0.01 -2.09 -0.40 0.00 -1.94 0.00 0.00 57.00 52.59 3hcn n GLN 690 Cb 0.42 -1.47 -0.11 0.00 0.11 0.00 0.00 30.24 29.19 3hcn n GLN 690 CO 0.00 0.00 0.00 0.71 -1.44 0.00 0.00 177.06 176.33 3hcn s TYR 691 N -1.30 3.22 0.37 1.08 1.51 -1.26 -4.72 117.35 116.24 3hcn s TYR 691 Ca 0.39 -0.26 0.08 0.00 -1.01 0.00 0.00 57.07 56.27 3hcn s TYR 691 Cb 0.21 -2.44 0.73 0.00 -0.11 0.00 0.00 41.96 40.36 3hcn s TYR 691 CO 0.28 -0.36 1.91 -1.35 -1.11 0.00 0.00 175.55 174.92 3hcn h PRO 692 N 8.44 0.35 -5.51 -1.71 0.11 -1.86 -3.42 132.00 128.40 3hcn h PRO 692 Ca -0.32 -0.07 -0.64 0.00 0.11 0.00 0.00 66.00 65.08 3hcn h PRO 692 Cb 1.16 -0.05 -0.16 0.00 0.11 0.00 0.00 31.00 32.06 3hcn h PRO 692 CO 0.62 0.43 -0.59 -0.65 -0.21 0.00 0.00 178.00 177.60 3hcn s GLN 693 N -4.86 3.61 -0.04 1.05 1.11 -1.26 -0.50 119.66 118.77 3hcn s GLN 693 Ca -0.06 -0.37 -0.28 0.00 0.01 0.00 0.00 55.36 54.66 3hcn s GLN 693 Cb 0.16 -3.05 -0.03 0.00 -1.01 0.00 0.00 33.01 29.08 3hcn s GLN 693 CO 0.74 0.44 0.92 -0.47 0.01 0.00 0.00 175.29 176.93 3hcn s TYR 694 N -0.11 3.61 0.01 0.91 5.04 -1.26 -4.85 117.35 120.70 3hcn s TYR 694 Ca 0.06 1.57 0.03 0.00 -2.44 0.00 0.00 57.07 56.29 3hcn s TYR 694 Cb -0.12 -3.06 -0.01 0.00 0.35 0.00 0.00 41.96 39.11 3hcn s TYR 694 CO 0.01 -0.04 -0.09 0.45 -1.34 0.00 0.00 175.55 174.54 3hcn s SER 695 N 0.99 1.10 0.56 4.32 0.15 -1.26 -1.09 113.70 118.47 3hcn s SER 695 Ca 0.48 -0.29 0.36 0.00 0.70 0.00 0.00 55.95 57.20 3hcn s SER 695 Cb -0.20 -0.08 1.63 0.00 -1.71 0.00 0.00 66.02 65.66 3hcn s SER 695 CO 0.24 0.03 2.06 0.00 1.20 0.00 0.00 173.24 176.77 3hcn h SER 697 N 0.00 0.00 0.00 0.00 4.64 -1.92 -1.81 113.55 114.46 3hcn h SER 697 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3hcn h SER 697 Cb 0.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 3hcn h SER 697 CO 0.00 0.22 0.00 0.35 -0.87 0.00 0.00 176.83 176.53 3hcn n THR 698 N -3.18 0.00 -0.32 2.95 -2.24 -0.92 -4.46 114.28 106.12 3hcn n THR 698 Ca 0.03 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.82 3hcn n THR 698 Cb 0.58 -0.40 0.16 0.00 -2.10 0.00 0.00 70.33 68.57 3hcn n THR 698 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 3hcn h THR 699 N 0.00 1.01 -0.54 4.28 2.02 -1.75 -1.99 112.91 115.93 3hcn h THR 699 Ca 0.00 -0.33 0.05 0.00 0.77 0.00 0.00 66.41 66.91 3hcn h THR 699 Cb 0.00 -0.03 -0.05 0.00 -1.74 0.00 0.00 68.15 66.33 3hcn h THR 699 CO 0.00 0.17 0.26 1.23 0.37 0.00 0.00 175.52 177.56 3hcn h GLY 700 N 0.96 0.76 0.96 2.16 0.00 -1.38 0.45 103.07 106.98 3hcn h GLY 700 Ca 0.40 -0.18 -0.04 0.00 0.00 0.00 0.00 47.33 47.51 3hcn h GLY 700 CO -0.20 0.10 0.13 0.23 0.00 0.00 0.00 176.54 176.80 3hcn h SER 701 N 0.50 0.70 -0.77 0.19 0.87 -0.76 0.18 113.55 114.46 3hcn h SER 701 Ca 0.24 -0.22 -0.04 0.00 -1.23 0.00 0.00 61.79 60.55 3hcn h SER 701 Cb 0.17 -0.18 -0.03 0.00 -0.44 0.00 0.00 62.40 61.92 3hcn h SER 701 CO -0.18 0.74 0.34 0.28 -0.53 0.00 0.00 176.83 177.48 3hcn h SER 702 N 0.63 1.03 -0.32 6.23 0.02 -0.84 0.15 113.55 120.46 3hcn h SER 702 Ca 0.15 -0.15 -0.12 0.00 -0.84 0.00 0.00 61.79 60.83 3hcn h SER 702 Cb 0.30 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.57 3hcn h SER 702 CO -0.00 0.90 -0.28 -0.07 -1.14 0.00 0.00 176.83 176.24 3hcn h LEU 703 N 1.10 0.79 -1.47 5.07 3.38 -0.78 -2.86 115.31 120.54 3hcn h LEU 703 Ca 0.26 -0.46 -0.00 0.00 0.09 0.00 0.00 57.88 57.77 3hcn h LEU 703 Cb 0.16 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 3hcn h LEU 703 CO -0.03 1.08 0.31 0.78 0.09 0.00 0.00 178.44 180.67 3hcn h ASN 704 N 0.51 0.58 -0.16 -0.43 4.21 -0.65 -1.10 115.58 118.54 3hcn h ASN 704 Ca 0.05 -0.02 -0.03 0.00 1.21 0.00 0.00 56.30 57.51 3hcn h ASN 704 Cb 0.85 -0.15 -0.01 0.00 -1.12 0.00 0.00 38.32 37.89 3hcn h ASN 704 CO 0.07 0.44 0.02 0.00 -1.29 0.00 0.00 177.43 176.67 3hcn h ALA 705 N 1.66 1.57 -0.17 -0.83 0.00 -0.74 0.29 119.26 121.04 3hcn h ALA 705 Ca 0.18 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 3hcn h ALA 705 Cb -0.04 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 3hcn h ALA 705 CO -0.04 0.32 -0.07 0.82 0.00 0.00 0.00 179.25 180.28 3hcn h ILE 706 N 0.36 1.30 -0.22 0.00 2.04 -1.06 -0.35 117.51 119.59 3hcn h ILE 706 Ca 0.09 -1.10 -0.01 0.00 1.00 0.00 0.00 64.86 64.84 3hcn h ILE 706 Cb 0.21 1.66 -0.01 0.00 -0.74 0.00 0.00 36.82 37.94 3hcn h ILE 706 CO 0.00 0.33 0.11 0.22 0.00 0.00 0.00 178.15 178.81 3hcn h TYR 707 N 0.05 0.30 -0.72 1.37 3.20 -1.06 -2.68 116.97 117.43 3hcn h TYR 707 Ca 0.04 -0.01 0.06 0.00 3.14 0.00 0.00 58.73 61.96 3hcn h TYR 707 Cb 0.54 -0.10 -0.04 0.00 1.54 0.00 0.00 36.73 38.67 3hcn h TYR 707 CO 0.06 0.29 0.48 0.00 -1.64 0.00 0.00 178.16 177.35 3hcn h ARG 708 N 0.23 0.73 0.30 1.82 3.08 -0.36 -1.78 114.38 118.40 3hcn h ARG 708 Ca 0.08 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.08 3hcn h ARG 708 Cb 0.09 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 29.97 3hcn h ARG 708 CO -0.01 0.48 -0.22 -0.92 -1.07 0.00 0.00 179.97 178.23 3hcn h TYR 709 N 0.75 -0.58 0.00 3.04 3.20 -0.71 0.81 116.97 123.48 3hcn h TYR 709 Ca 0.31 -0.00 -0.06 0.00 3.14 0.00 0.00 58.73 62.12 3hcn h TYR 709 Cb 0.26 0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.74 3hcn h TYR 709 CO -0.00 -0.34 -0.31 1.88 -1.64 0.00 0.00 178.16 177.75 3hcn h TYR 710 N -0.52 0.00 0.03 -3.82 -1.99 -1.38 -1.64 116.97 107.65 3hcn h TYR 710 Ca -0.02 0.00 -0.23 0.00 2.00 0.00 0.00 58.73 60.48 3hcn h TYR 710 Cb 0.45 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.18 3hcn h TYR 710 CO -0.12 0.31 -0.99 -0.97 -0.00 0.00 0.00 178.16 176.39 3hcn h ASN 711 N 0.00 0.45 0.19 3.88 -0.73 -1.02 -1.90 115.58 116.45 3hcn h ASN 711 Ca -0.00 -0.38 -0.23 0.00 1.87 0.00 0.00 56.30 57.55 3hcn h ASN 711 Cb 0.62 -0.14 0.01 0.00 0.27 0.00 0.00 38.32 39.08 3hcn h ASN 711 CO 0.04 1.20 -0.93 -0.61 -0.37 0.00 0.00 177.43 176.77 3hcn h GLN 712 N 0.17 0.53 0.00 6.67 4.15 -0.65 -3.11 115.11 122.87 3hcn h GLN 712 Ca -0.08 -0.53 -0.03 0.00 0.77 0.00 0.00 58.65 58.77 3hcn h GLN 712 Cb 1.64 0.14 -0.00 0.00 0.21 0.00 0.00 27.48 29.47 3hcn h GLN 712 CO 0.16 1.16 -0.16 -0.24 -1.93 0.00 0.00 178.83 177.83 3hcn h VAL 713 N 0.31 0.32 -0.38 2.39 3.04 -1.36 -3.47 116.25 117.09 3hcn h VAL 713 Ca -0.08 -1.14 -0.09 0.00 -1.01 0.00 0.00 66.70 64.37 3hcn h VAL 713 Cb 1.56 1.90 -0.02 0.00 -2.01 0.00 0.00 31.29 32.71 3hcn h VAL 713 CO 0.17 0.15 -0.10 0.61 -1.01 0.00 0.00 177.57 177.39 3hcn n GLY 714 N 0.60 0.52 3.21 3.17 0.00 -0.74 -5.04 105.19 106.91 3hcn n GLY 714 Ca 0.02 -0.80 -0.17 0.00 0.00 0.00 0.00 46.02 45.07 3hcn n GLY 714 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hcn s ARG 715 N -3.09 0.94 0.36 1.61 0.52 -1.03 -5.05 118.95 113.21 3hcn s ARG 715 Ca 0.00 -1.19 -0.10 0.00 -0.52 0.00 0.00 55.73 53.92 3hcn s ARG 715 Cb 0.00 -0.75 -0.07 0.00 0.52 0.00 0.00 34.95 34.65 3hcn s ARG 715 CO 0.00 0.14 0.71 0.15 0.02 0.00 0.00 175.30 176.32 3hcn s LYS 716 N -2.66 3.79 0.61 3.54 1.02 -1.26 -4.63 119.74 120.15 3hcn s LYS 716 Ca 0.07 0.41 -0.19 0.00 0.02 0.00 0.00 55.97 56.27 3hcn s LYS 716 Cb -0.04 -2.46 -0.02 0.00 -0.52 0.00 0.00 37.83 34.78 3hcn s LYS 716 CO 0.02 0.07 1.29 -2.14 -0.92 0.00 0.00 175.35 173.67 3hcn s PRO 717 N -3.57 2.77 0.00 -1.68 0.02 -1.26 -4.92 135.00 126.36 3hcn s PRO 717 Ca 0.50 2.06 0.17 0.00 0.02 0.00 0.00 61.00 63.75 3hcn s PRO 717 Cb -0.10 -1.95 0.43 0.00 0.02 0.00 0.00 34.50 32.89 3hcn s PRO 717 CO 0.28 -1.43 1.35 0.25 -0.33 0.00 0.00 177.00 177.11 3hcn n THR 718 N -1.64 0.81 -4.27 0.99 -2.24 -1.26 -4.95 114.28 101.71 3hcn n THR 718 Ca 0.14 -0.90 -0.17 0.00 -2.27 0.00 0.00 64.05 60.85 3hcn n THR 718 Cb 0.48 0.67 -0.10 0.00 -2.10 0.00 0.00 70.33 69.27 3hcn n THR 718 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 3hcn s MET 719 N -1.10 1.11 -0.39 -0.78 -1.94 -1.26 -4.91 119.30 110.03 3hcn s MET 719 Ca 0.34 -1.40 -0.22 0.00 -1.71 0.00 0.00 55.69 52.70 3hcn s MET 719 Cb 0.19 -0.87 0.01 0.00 2.01 0.00 0.00 34.83 36.17 3hcn s MET 719 CO 0.25 0.15 0.73 0.15 -0.01 0.00 0.00 175.02 176.29 3hcn s LYS 720 N -3.26 3.60 0.35 2.03 1.02 -1.07 -4.90 119.74 117.50 3hcn s LYS 720 Ca 0.15 0.07 -0.01 0.00 0.02 0.00 0.00 55.97 56.20 3hcn s LYS 720 Cb -0.01 -3.86 -0.04 0.00 -0.52 0.00 0.00 37.83 33.40 3hcn s LYS 720 CO 0.03 -0.91 0.58 -1.58 -0.92 0.00 0.00 175.35 172.55 3hcn s TRP 721 N 3.03 3.51 0.16 3.18 0.52 -1.26 -0.82 118.94 127.25 3hcn s TRP 721 Ca 0.28 0.47 -0.24 0.00 0.02 0.00 0.00 56.10 56.63 3hcn s TRP 721 Cb -0.13 -1.99 0.06 0.00 -1.15 0.00 0.00 33.47 30.26 3hcn s TRP 721 CO 0.18 0.08 0.86 -1.54 0.02 0.00 0.00 176.95 176.54 3hcn s SER 722 N -3.87 -0.27 -0.03 2.95 1.04 -0.94 -4.79 113.70 107.79 3hcn s SER 722 Ca 0.42 -0.35 -0.06 0.00 0.48 0.00 0.00 55.95 56.44 3hcn s SER 722 Cb -0.10 0.54 0.01 0.00 0.10 0.00 0.00 66.02 66.57 3hcn s SER 722 CO 0.36 -0.97 0.15 0.28 0.98 0.00 0.00 173.24 174.04 3hcn s THR 723 N -3.46 0.04 -0.65 2.02 -1.32 -0.00 -0.86 115.64 111.41 3hcn s THR 723 Ca 0.10 -0.32 -0.09 0.00 -1.21 0.00 0.00 61.69 60.16 3hcn s THR 723 Cb -0.02 -0.32 0.17 0.00 -1.51 0.00 0.00 72.50 70.82 3hcn s THR 723 CO 0.00 -0.18 0.53 -0.63 -2.21 0.00 0.00 174.62 172.14 3hcn s ILE 724 N -0.59 4.61 -1.17 5.08 1.01 -0.30 -4.00 121.20 125.84 3hcn s ILE 724 Ca -0.07 -2.38 0.26 0.00 0.00 0.00 0.00 60.65 58.46 3hcn s ILE 724 Cb -0.04 -3.94 0.13 0.00 0.01 0.00 0.00 42.46 38.62 3hcn s ILE 724 CO 0.01 -0.90 1.58 -0.90 0.00 0.00 0.00 174.94 174.73 3hcn n ASP 725 N 4.15 0.47 -3.54 3.58 5.75 -1.26 -2.17 116.55 123.53 3hcn n ASP 725 Ca 0.04 -0.22 -0.09 0.00 -0.01 0.00 0.00 54.79 54.51 3hcn n ASP 725 Cb 0.42 0.06 -0.03 0.00 -1.03 0.00 0.00 41.12 40.53 3hcn n ASP 725 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3hcn s ARG 726 N -2.88 0.71 -0.39 0.11 1.70 -1.26 -4.62 118.95 112.31 3hcn s ARG 726 Ca 0.15 -0.13 0.06 0.00 -0.47 0.00 0.00 55.73 55.34 3hcn s ARG 726 Cb 0.18 0.33 0.30 0.00 -0.57 0.00 0.00 34.95 35.19 3hcn s ARG 726 CO 0.62 -0.28 1.24 -2.67 -1.08 0.00 0.00 175.30 173.13 3hcn n TRP 727 N 0.11 -1.89 0.31 5.89 4.27 0.34 -5.03 117.44 121.44 3hcn n TRP 727 Ca -0.09 -1.58 0.19 0.00 -3.89 0.00 0.00 57.50 52.14 3hcn n TRP 727 Cb 0.60 1.47 1.01 0.00 -1.36 0.00 0.00 31.31 33.03 3hcn n TRP 727 CO 0.00 0.00 0.00 -1.00 -2.29 0.00 0.00 177.69 174.40 3hcn h PRO 728 N 2.18 0.00 0.00 -2.67 0.13 -1.57 -3.17 132.00 126.91 3hcn h PRO 728 Ca -0.29 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.83 3hcn h PRO 728 Cb 1.21 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.32 3hcn h PRO 728 CO -0.02 0.02 -0.26 0.25 -0.23 0.00 0.00 178.00 177.76 3hcn n THR 729 N -3.31 1.35 -1.67 1.56 -2.24 -1.26 -4.03 114.28 104.68 3hcn n THR 729 Ca -0.02 -1.77 -0.47 0.00 -2.27 0.00 0.00 64.05 59.52 3hcn n THR 729 Cb 0.14 0.02 -0.04 0.00 -2.10 0.00 0.00 70.33 68.35 3hcn n THR 729 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 3hcn n HIS 730 N -0.91 2.28 -0.28 4.78 -0.00 -1.20 -4.81 115.22 115.07 3hcn n HIS 730 Ca 0.12 0.20 0.20 0.00 0.46 0.00 0.00 57.72 58.70 3hcn n HIS 730 Cb 0.69 -2.57 0.50 0.00 -0.12 0.00 0.00 29.99 28.50 3hcn n HIS 730 CO 0.00 0.00 0.00 1.12 0.46 0.00 0.00 176.34 177.92 3hcn h HIS 731 N 6.73 0.60 0.00 1.57 2.07 -1.97 -0.51 115.15 123.64 3hcn h HIS 731 Ca -0.46 0.02 -0.16 0.00 -2.85 0.00 0.00 60.37 56.92 3hcn h HIS 731 Cb 1.26 -0.18 -0.02 0.00 2.57 0.00 0.00 27.41 31.04 3hcn h HIS 731 CO 0.69 0.13 -0.75 -0.07 -3.07 0.00 0.00 177.93 174.86 3hcn h LEU 732 N 0.42 0.00 -0.30 6.12 3.38 -1.94 -1.36 115.31 121.63 3hcn h LEU 732 Ca 0.51 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.42 3hcn h LEU 732 Cb 1.27 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.01 3hcn h LEU 732 CO -0.22 0.75 -0.08 0.25 0.09 0.00 0.00 178.44 179.23 3hcn h LEU 733 N 0.00 0.58 -0.64 1.67 5.85 -1.47 -1.42 115.31 119.88 3hcn h LEU 733 Ca -0.01 -0.37 -0.02 0.00 0.84 0.00 0.00 57.88 58.33 3hcn h LEU 733 Cb 1.52 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 42.36 3hcn h LEU 733 CO 0.10 0.82 0.34 0.40 -0.34 0.00 0.00 178.44 179.75 3hcn h ILE 734 N 0.34 1.21 -0.86 4.05 1.08 -1.23 -1.91 117.51 120.19 3hcn h ILE 734 Ca 0.07 -0.55 -0.01 0.00 -0.39 0.00 0.00 64.86 63.99 3hcn h ILE 734 Cb 0.56 0.40 -0.04 0.00 -3.07 0.00 0.00 36.82 34.67 3hcn h ILE 734 CO 0.03 0.23 0.49 -0.61 -0.69 0.00 0.00 178.15 177.60 3hcn h GLN 735 N 0.88 1.19 -0.26 2.37 4.15 -1.07 -1.06 115.11 121.30 3hcn h GLN 735 Ca 0.22 -0.13 -0.01 0.00 0.77 0.00 0.00 58.65 59.51 3hcn h GLN 735 Cb 0.07 -0.24 -0.01 0.00 0.21 0.00 0.00 27.48 27.50 3hcn h GLN 735 CO -0.03 0.86 0.14 0.00 -1.93 0.00 0.00 178.83 177.87 3hcn h PHE 737 N 0.31 0.64 -0.57 0.00 0.05 -1.03 -1.21 116.94 115.13 3hcn h PHE 737 Ca 0.09 -0.01 -0.01 0.00 3.82 0.00 0.00 57.97 61.86 3hcn h PHE 737 Cb 0.08 -0.21 -0.03 0.00 2.00 0.00 0.00 35.95 37.79 3hcn h PHE 737 CO -0.03 0.47 0.33 0.00 -0.18 0.00 0.00 178.31 178.90 3hcn h ALA 738 N 1.11 0.73 -0.54 2.45 0.00 -1.01 -0.97 119.26 121.03 3hcn h ALA 738 Ca 0.17 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 3hcn h ALA 738 Cb 0.04 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 3hcn h ALA 738 CO -0.03 0.23 0.34 -0.44 0.00 0.00 0.00 179.25 179.35 3hcn h ASP 739 N 0.77 0.64 0.21 0.00 3.45 -0.67 -1.28 116.42 119.54 3hcn h ASP 739 Ca 0.20 -0.04 -0.11 0.00 0.43 0.00 0.00 57.03 57.51 3hcn h ASP 739 Cb 0.01 -0.16 -0.01 0.00 -0.56 0.00 0.00 39.33 38.61 3hcn h ASP 739 CO -0.04 0.49 -0.41 0.45 -1.57 0.00 0.00 179.24 178.17 3hcn h HIS 740 N 0.73 0.30 -0.33 4.55 3.86 -0.94 -1.63 115.15 121.70 3hcn h HIS 740 Ca 0.19 -0.08 -0.08 0.00 -1.16 0.00 0.00 60.37 59.24 3hcn h HIS 740 Cb -0.04 -0.07 -0.01 0.00 1.06 0.00 0.00 27.41 28.36 3hcn h HIS 740 CO -0.03 0.63 -0.10 0.82 0.86 0.00 0.00 177.93 180.11 3hcn h ILE 741 N 0.22 1.28 -0.67 2.45 2.04 -0.85 -2.01 117.51 119.97 3hcn h ILE 741 Ca 0.02 -1.18 -0.04 0.00 1.00 0.00 0.00 64.86 64.67 3hcn h ILE 741 Cb 0.82 1.37 -0.03 0.00 -0.74 0.00 0.00 36.82 38.24 3hcn h ILE 741 CO 0.06 0.38 0.28 -0.07 0.00 0.00 0.00 178.15 178.81 3hcn h LEU 742 N 0.42 0.92 -1.05 1.44 3.38 -1.08 -0.15 115.31 119.19 3hcn h LEU 742 Ca 0.08 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 57.85 3hcn h LEU 742 Cb 0.61 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 3hcn h LEU 742 CO 0.04 0.83 0.21 0.50 0.09 0.00 0.00 178.44 180.11 3hcn h LYS 743 N 0.95 0.90 0.02 1.13 3.64 -1.21 -2.47 116.57 119.52 3hcn h LYS 743 Ca 0.23 -0.16 -0.23 0.00 -1.27 0.00 0.00 60.65 59.22 3hcn h LYS 743 Cb 0.19 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.86 3hcn h LYS 743 CO -0.02 0.75 -0.98 1.49 -2.27 0.00 0.00 179.45 178.43 3hcn h GLU 744 N 0.88 0.34 -0.23 1.90 4.57 -1.01 -3.08 114.58 117.95 3hcn h GLU 744 Ca 0.20 -0.40 -0.01 0.00 -1.18 0.00 0.00 59.36 57.97 3hcn h GLU 744 Cb 0.22 0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 28.91 3hcn h GLU 744 CO -0.01 1.09 0.10 -0.07 -1.18 0.00 0.00 179.01 178.94 3hcn h LEU 745 N 0.18 0.28 -1.85 1.64 3.38 -0.74 -0.12 115.31 118.08 3hcn h LEU 745 Ca -0.08 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.87 3hcn h LEU 745 Cb 1.63 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.31 3hcn h LEU 745 CO 0.16 0.25 0.00 0.44 0.09 0.00 0.00 178.44 179.38 3hcn h ASP 746 N 0.32 0.00 0.80 -0.43 3.45 -1.35 -1.71 116.42 117.49 3hcn h ASP 746 Ca 0.08 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.54 3hcn h ASP 746 Cb 0.05 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.82 3hcn h ASP 746 CO -0.01 0.00 -0.13 1.41 -1.57 0.00 0.00 179.24 178.94 3hcn n HIS 747 N -2.76 0.00 -3.13 4.55 8.25 -0.06 -4.83 115.22 117.25 3hcn n HIS 747 Ca -0.01 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.16 3hcn n HIS 747 Cb 0.15 -0.40 -0.03 0.00 1.12 0.00 0.00 29.99 30.83 3hcn n HIS 747 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 3hcn s PHE 748 N -2.93 3.47 0.32 4.41 0.40 -0.65 -5.02 117.98 118.00 3hcn s PHE 748 Ca 0.16 0.81 -0.29 0.00 -0.60 0.00 0.00 56.93 57.01 3hcn s PHE 748 Cb 0.19 -2.25 -0.12 0.00 0.51 0.00 0.00 43.02 41.35 3hcn s PHE 748 CO 0.56 0.05 1.43 -2.30 0.70 0.00 0.00 175.22 175.66 3hcn n PRO 749 N -1.11 2.39 -0.30 0.24 -0.02 -1.26 -4.75 135.00 130.19 3hcn n PRO 749 Ca 0.00 0.84 0.11 0.00 -2.02 0.00 0.00 63.50 62.43 3hcn n PRO 749 Cb 0.54 -2.52 0.27 0.00 -0.02 0.00 0.00 33.50 31.77 3hcn n PRO 749 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3hcn h LEU 750 N 3.41 0.36 0.00 2.45 5.85 -1.93 0.56 115.31 126.00 3hcn h LEU 750 Ca -0.47 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.38 3hcn h LEU 750 Cb 1.26 0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.39 3hcn h LEU 750 CO 0.69 0.06 0.00 -0.62 -0.34 0.00 0.00 178.44 178.23 3hcn n GLU 751 N -5.00 0.21 0.00 1.25 4.71 -1.26 -3.07 120.64 117.47 3hcn n GLU 751 Ca 0.20 0.15 0.00 0.00 -0.01 0.00 0.00 57.16 57.50 3hcn n GLU 751 Cb 0.57 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.50 3hcn n GLU 751 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 3hcn n LYS 752 N -1.29 3.84 -0.34 3.49 4.76 0.10 -4.77 118.16 123.95 3hcn n LYS 752 Ca 0.07 -0.11 0.16 0.00 -2.87 0.00 0.00 58.31 55.55 3hcn n LYS 752 Cb 0.12 -0.54 0.37 0.00 -1.84 0.00 0.00 35.03 33.14 3hcn n LYS 752 CO 0.00 0.00 0.00 -0.09 -1.37 0.00 0.00 177.40 175.94 3hcn h ARG 753 N 0.00 0.63 0.00 1.97 2.43 -1.24 0.24 114.38 118.40 3hcn h ARG 753 Ca 0.00 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 3hcn h ARG 753 Cb 0.03 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.43 3hcn h ARG 753 CO 0.00 0.42 0.00 0.66 -1.51 0.00 0.00 179.97 179.54 3hcn h SER 754 N 0.65 0.00 0.61 -3.80 4.64 -1.86 -3.05 113.55 110.73 3hcn h SER 754 Ca 0.60 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.92 3hcn h SER 754 Cb 1.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 3hcn h SER 754 CO -0.39 0.00 -0.75 -0.62 -0.87 0.00 0.00 176.83 174.19 3hcn n GLU 755 N -2.77 0.22 -1.74 4.77 -0.58 0.81 -4.85 120.64 116.49 3hcn n GLU 755 Ca 0.02 0.03 -0.42 0.00 -0.42 0.00 0.00 57.16 56.37 3hcn n GLU 755 Cb 0.32 -1.61 -0.02 0.00 -0.57 0.00 0.00 31.44 29.56 3hcn n GLU 755 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 3hcn n VAL 756 N -1.91 0.82 -3.52 2.62 0.31 -1.07 -4.76 118.33 110.82 3hcn n VAL 756 Ca 0.03 -0.21 -0.37 0.00 -0.01 0.00 0.00 64.34 63.78 3hcn n VAL 756 Cb 0.41 -1.99 -0.08 0.00 -0.91 0.00 0.00 33.84 31.27 3hcn n VAL 756 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3hcn s VAL 757 N 0.23 5.28 -0.36 2.52 1.01 -0.49 -4.19 120.40 124.40 3hcn s VAL 757 Ca 0.66 0.46 -0.22 0.00 0.00 0.00 0.00 61.98 62.89 3hcn s VAL 757 Cb -0.49 -3.62 0.01 0.00 0.00 0.00 0.00 36.38 32.28 3hcn s VAL 757 CO 0.45 0.30 0.71 -0.63 0.00 0.00 0.00 175.10 175.93 3hcn s ILE 758 N 1.16 4.81 -0.47 2.22 1.01 -0.20 -0.85 121.20 128.88 3hcn s ILE 758 Ca 0.14 0.70 -0.09 0.00 0.00 0.00 0.00 60.65 61.40 3hcn s ILE 758 Cb -0.14 -4.15 0.12 0.00 0.01 0.00 0.00 42.46 38.30 3hcn s ILE 758 CO 0.06 -0.38 0.34 -0.22 0.00 0.00 0.00 174.94 174.74 3hcn s LEU 759 N 2.90 5.68 -0.01 2.97 2.96 0.65 -2.18 118.68 131.65 3hcn s LEU 759 Ca 0.28 -1.89 -0.30 0.00 -0.22 0.00 0.00 54.13 52.00 3hcn s LEU 759 Cb -0.14 -2.01 -0.04 0.00 0.50 0.00 0.00 46.19 44.49 3hcn s LEU 759 CO 0.16 -0.69 1.25 -0.36 -1.32 0.00 0.00 176.35 175.39 3hcn s PHE 760 N 1.37 3.17 -0.25 5.38 0.40 -0.44 -1.13 117.98 126.48 3hcn s PHE 760 Ca 0.06 1.13 0.02 0.00 -0.60 0.00 0.00 56.93 57.54 3hcn s PHE 760 Cb -0.26 -3.48 0.06 0.00 0.51 0.00 0.00 43.02 39.84 3hcn s PHE 760 CO -0.01 -1.60 -0.08 0.45 0.70 0.00 0.00 175.22 174.69 3hcn s SER 761 N 1.47 4.15 0.17 1.36 0.15 -0.04 -0.44 113.70 120.51 3hcn s SER 761 Ca 0.59 -1.29 0.07 0.00 0.70 0.00 0.00 55.95 56.02 3hcn s SER 761 Cb -0.28 -1.36 -0.04 0.00 -1.71 0.00 0.00 66.02 62.63 3hcn s SER 761 CO 0.25 -0.21 0.02 0.00 1.20 0.00 0.00 173.24 174.49 3hcn s ALA 762 N 1.25 3.26 0.31 5.45 0.00 -0.89 -3.73 121.76 127.41 3hcn s ALA 762 Ca -0.07 -1.33 -0.29 0.00 0.00 0.00 0.00 51.96 50.27 3hcn s ALA 762 Cb -0.19 -1.06 -0.11 0.00 0.00 0.00 0.00 23.12 21.76 3hcn s ALA 762 CO -0.06 0.50 1.48 -1.01 0.00 0.00 0.00 175.76 176.68 3hcn s HIS 763 N -1.70 2.82 0.93 0.00 3.76 -1.26 -0.50 115.29 119.33 3hcn s HIS 763 Ca 0.28 1.04 -0.12 0.00 -0.15 0.00 0.00 55.06 56.11 3hcn s HIS 763 Cb -0.10 -3.94 0.15 0.00 1.11 0.00 0.00 32.58 29.81 3hcn s HIS 763 CO 0.19 -2.94 1.13 0.45 -0.85 0.00 0.00 174.74 172.72 3hcn s SER 764 N 0.14 3.36 0.05 1.40 0.15 -0.68 -4.75 113.70 113.37 3hcn s SER 764 Ca 0.57 1.02 0.05 0.00 0.70 0.00 0.00 55.95 58.29 3hcn s SER 764 Cb -0.45 -1.62 -0.02 0.00 -1.71 0.00 0.00 66.02 62.22 3hcn s SER 764 CO 0.52 -2.65 -0.13 -0.76 1.20 0.00 0.00 173.24 171.41 3hcn s LEU 765 N -6.11 2.21 0.48 3.45 1.43 -1.26 -4.93 118.68 113.95 3hcn s LEU 765 Ca 0.64 -0.51 -0.23 0.00 -1.03 0.00 0.00 54.13 53.00 3hcn s LEU 765 Cb -0.16 -0.52 -0.07 0.00 0.03 0.00 0.00 46.19 45.48 3hcn s LEU 765 CO 0.54 -0.03 1.27 -2.84 0.23 0.00 0.00 176.35 175.52 3hcn s PRO 766 N -1.37 3.54 0.55 1.29 0.02 -1.26 -0.88 135.00 136.89 3hcn s PRO 766 Ca -0.01 2.04 0.28 0.00 0.02 0.00 0.00 61.00 63.33 3hcn s PRO 766 Cb -0.09 -2.41 1.62 0.00 0.02 0.00 0.00 34.50 33.64 3hcn s PRO 766 CO 0.02 -0.80 2.16 0.52 -0.33 0.00 0.00 177.00 178.56 3hcn h MET 767 N 1.92 0.00 -0.06 5.54 2.86 -1.39 -0.71 114.93 123.10 3hcn h MET 767 Ca -0.50 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.09 3hcn h MET 767 Cb 1.27 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.92 3hcn h MET 767 CO 0.59 0.07 -0.19 0.66 1.06 0.00 0.00 176.91 179.10 3hcn h SER 768 N 0.00 0.09 0.18 1.22 4.64 -1.90 0.20 113.55 117.98 3hcn h SER 768 Ca -0.00 -0.02 -0.28 0.00 -0.47 0.00 0.00 61.79 61.02 3hcn h SER 768 Cb 0.18 -0.02 0.02 0.00 -0.31 0.00 0.00 62.40 62.27 3hcn h SER 768 CO 0.01 0.28 -1.30 0.58 -0.87 0.00 0.00 176.83 175.53 3hcn h VAL 769 N 0.09 1.24 -0.27 0.95 2.07 -1.52 -3.09 116.25 115.71 3hcn h VAL 769 Ca 0.02 -2.55 0.01 0.00 0.82 0.00 0.00 66.70 64.99 3hcn h VAL 769 Cb 0.39 2.98 -0.02 0.00 -1.52 0.00 0.00 31.29 33.12 3hcn h VAL 769 CO 0.03 0.77 0.16 0.58 0.02 0.00 0.00 177.57 179.12 3hcn h VAL 770 N -0.13 1.03 0.00 2.57 2.07 -1.05 -2.62 116.25 118.13 3hcn h VAL 770 Ca -0.25 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.16 3hcn h VAL 770 Cb 1.90 0.68 0.00 0.00 -1.52 0.00 0.00 31.29 32.35 3hcn h VAL 770 CO 0.17 0.06 0.00 0.59 0.02 0.00 0.00 177.57 178.41 3hcn n ASN 771 N -4.94 0.00 -0.16 0.57 3.02 0.69 -1.87 115.26 112.57 3hcn n ASN 771 Ca -0.02 0.38 0.12 0.00 -0.03 0.00 0.00 54.58 55.04 3hcn n ASN 771 Cb 0.04 -0.44 0.23 0.00 -0.61 0.00 0.00 39.78 39.00 3hcn n ASN 771 CO 0.00 0.00 0.00 -2.11 -2.62 0.00 0.00 177.26 172.53 3hcn n ARG 772 N -1.44 0.50 0.00 3.52 1.85 -1.00 -4.92 116.66 115.16 3hcn n ARG 772 Ca 0.05 -0.32 0.00 0.00 -1.00 0.00 0.00 57.85 56.57 3hcn n ARG 772 Cb 0.17 -1.49 0.00 0.00 -1.05 0.00 0.00 32.46 30.09 3hcn n ARG 772 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3hcn n GLY 773 N 1.42 1.51 3.70 2.89 0.00 -0.78 -1.83 105.19 112.10 3hcn n GLY 773 Ca 0.09 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.67 3hcn n GLY 773 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3hcn n ASP 774 N 0.00 3.25 0.25 1.61 2.03 -1.13 -4.71 116.55 117.84 3hcn n ASP 774 Ca 0.00 1.13 0.16 0.00 0.52 0.00 0.00 54.79 56.60 3hcn n ASP 774 Cb 0.00 -1.49 0.60 0.00 -0.72 0.00 0.00 41.12 39.51 3hcn n ASP 774 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3hcn h PRO 775 N 4.82 0.00 -0.19 -0.67 0.11 -1.94 -3.39 132.00 130.74 3hcn h PRO 775 Ca -0.45 0.00 0.05 0.00 0.11 0.00 0.00 66.00 65.71 3hcn h PRO 775 Cb 1.25 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.29 3hcn h PRO 775 CO 0.80 0.00 -0.36 -0.92 -0.21 0.00 0.00 178.00 177.31 3hcn h TYR 776 N 0.00 -1.01 -0.85 0.65 3.20 -1.45 -2.56 116.97 114.96 3hcn h TYR 776 Ca 0.00 0.05 0.11 0.00 3.14 0.00 0.00 58.73 62.03 3hcn h TYR 776 Cb 0.55 0.47 -0.08 0.00 1.54 0.00 0.00 36.73 39.21 3hcn h TYR 776 CO 0.00 -0.42 0.48 -1.35 -1.64 0.00 0.00 178.16 175.22 3hcn h PRO 777 N -0.40 0.74 -0.31 1.82 0.11 -1.87 0.43 132.00 132.50 3hcn h PRO 777 Ca 0.10 -0.04 -0.14 0.00 0.11 0.00 0.00 66.00 66.03 3hcn h PRO 777 Cb 0.57 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.51 3hcn h PRO 777 CO -0.41 0.49 -0.36 0.37 -0.21 0.00 0.00 178.00 177.88 3hcn h GLN 778 N 0.76 0.72 -0.26 1.05 -0.00 -1.82 -1.89 115.11 113.66 3hcn h GLN 778 Ca 0.43 -0.35 -0.20 0.00 -0.00 0.00 0.00 58.65 58.53 3hcn h GLN 778 Cb 0.47 -0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.95 3hcn h GLN 778 CO -0.28 0.96 -0.60 0.93 0.00 0.00 0.00 178.83 179.84 3hcn h GLU 779 N 0.60 0.87 -0.88 1.69 5.08 -0.93 -2.15 114.58 118.85 3hcn h GLU 779 Ca 0.06 -0.58 -0.01 0.00 -1.00 0.00 0.00 59.36 57.82 3hcn h GLU 779 Cb 0.89 0.08 -0.04 0.00 0.50 0.00 0.00 28.75 30.18 3hcn h GLU 779 CO 0.08 1.21 0.51 0.28 -1.00 0.00 0.00 179.01 180.10 3hcn h VAL 780 N 0.64 1.25 -0.61 3.13 2.07 -0.91 -1.67 116.25 120.15 3hcn h VAL 780 Ca -0.00 -0.57 -0.01 0.00 0.82 0.00 0.00 66.70 66.94 3hcn h VAL 780 Cb 1.22 0.03 -0.03 0.00 -1.52 0.00 0.00 31.29 30.99 3hcn h VAL 780 CO 0.13 0.27 0.35 0.28 0.02 0.00 0.00 177.57 178.62 3hcn h SER 781 N 1.22 0.74 -0.47 0.57 0.02 -1.18 -1.63 113.55 112.83 3hcn h SER 781 Ca 0.31 -0.05 -0.08 0.00 -0.84 0.00 0.00 61.79 61.14 3hcn h SER 781 Cb -0.02 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.32 3hcn h SER 781 CO -0.06 0.58 -0.00 0.00 -1.14 0.00 0.00 176.83 176.21 3hcn h ALA 782 N 1.54 0.63 -0.37 3.77 0.00 -0.66 -1.93 119.26 122.24 3hcn h ALA 782 Ca 0.22 -0.28 0.01 0.00 0.00 0.00 0.00 54.91 54.86 3hcn h ALA 782 Cb -0.00 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 3hcn h ALA 782 CO -0.04 0.43 0.22 1.15 0.00 0.00 0.00 179.25 181.02 3hcn h THR 783 N 0.68 1.05 -0.36 0.00 2.02 -0.67 -1.91 112.91 113.71 3hcn h THR 783 Ca 0.13 -0.16 0.05 0.00 0.77 0.00 0.00 66.41 67.20 3hcn h THR 783 Cb 0.51 0.55 -0.04 0.00 -1.74 0.00 0.00 68.15 67.43 3hcn h THR 783 CO 0.02 0.08 0.11 0.58 0.37 0.00 0.00 175.52 176.68 3hcn h VAL 784 N 0.46 0.87 -0.51 3.16 2.07 -1.13 -1.47 116.25 119.69 3hcn h VAL 784 Ca 0.15 -0.08 -0.01 0.00 0.82 0.00 0.00 66.70 67.57 3hcn h VAL 784 Cb -0.01 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 30.34 3hcn h VAL 784 CO -0.06 0.04 0.28 -0.61 0.02 0.00 0.00 177.57 177.25 3hcn h GLN 785 N 0.24 0.70 -0.53 1.57 5.75 -1.06 -1.26 115.11 120.52 3hcn h GLN 785 Ca 0.17 -0.08 -0.05 0.00 -0.15 0.00 0.00 58.65 58.54 3hcn h GLN 785 Cb 0.16 -0.14 -0.02 0.00 1.07 0.00 0.00 27.48 28.55 3hcn h GLN 785 CO -0.19 0.54 0.14 -0.22 -2.65 0.00 0.00 178.83 176.45 3hcn h LYS 786 N 0.67 0.81 -0.35 1.69 3.64 -1.03 -0.16 116.57 121.83 3hcn h LYS 786 Ca 0.18 -0.16 -0.08 0.00 -1.27 0.00 0.00 60.65 59.32 3hcn h LYS 786 Cb 0.04 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.72 3hcn h LYS 786 CO -0.03 0.72 -0.08 0.28 -2.27 0.00 0.00 179.45 178.07 3hcn h VAL 787 N 0.78 1.28 -0.11 2.00 2.07 -0.91 -1.77 116.25 119.59 3hcn h VAL 787 Ca 0.17 -1.14 -0.09 0.00 0.82 0.00 0.00 66.70 66.46 3hcn h VAL 787 Cb 0.27 1.30 -0.01 0.00 -1.52 0.00 0.00 31.29 31.33 3hcn h VAL 787 CO -0.00 0.37 -0.33 0.24 0.02 0.00 0.00 177.57 177.87 3hcn h MET 788 N 0.46 0.21 -0.49 1.57 2.86 -0.84 -1.04 114.93 117.65 3hcn h MET 788 Ca 0.09 -0.08 -0.13 0.00 -2.06 0.00 0.00 59.70 57.52 3hcn h MET 788 Cb 0.59 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.22 3hcn h MET 788 CO 0.03 0.52 -0.19 0.93 1.06 0.00 0.00 176.91 179.27 3hcn h GLU 789 N 0.18 1.00 -0.57 1.72 5.08 -0.89 -0.05 114.58 121.05 3hcn h GLU 789 Ca 0.02 -0.41 -0.05 0.00 -1.00 0.00 0.00 59.36 57.91 3hcn h GLU 789 Cb 0.68 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.87 3hcn h GLU 789 CO 0.05 1.09 0.13 -0.09 -1.00 0.00 0.00 179.01 179.20 3hcn h ARG 790 N 0.85 0.88 -0.01 2.33 9.65 -0.87 -1.41 114.38 125.81 3hcn h ARG 790 Ca 0.12 -0.19 0.00 0.00 -1.10 0.00 0.00 59.98 58.81 3hcn h ARG 790 Cb 0.77 -0.13 0.00 0.00 -1.39 0.00 0.00 29.97 29.22 3hcn h ARG 790 CO 0.06 0.80 0.00 1.28 2.80 0.00 0.00 179.97 184.91 3hcn n LEU 791 N -4.26 0.16 -3.41 3.80 4.77 -0.44 -4.90 117.00 112.73 3hcn n LEU 791 Ca 0.04 -0.06 -0.25 0.00 -0.03 0.00 0.00 56.01 55.71 3hcn n LEU 791 Cb 0.24 -0.01 0.03 0.00 -2.33 0.00 0.00 43.42 41.35 3hcn n LEU 791 CO 0.40 0.03 0.06 -0.62 -1.33 0.00 0.00 177.39 175.93 3hcn n GLU 792 N -0.77 -5.21 -4.11 3.23 1.02 -0.53 -2.35 120.64 111.92 3hcn n GLU 792 Ca 0.19 0.72 -0.32 0.00 -0.02 0.00 0.00 57.16 57.72 3hcn n GLU 792 Cb 0.11 -5.59 -0.02 0.00 -0.02 0.00 0.00 31.44 25.92 3hcn n GLU 792 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 3hcn n TYR 793 N -4.50 -1.77 0.25 -0.32 4.01 -0.12 -4.84 117.16 109.87 3hcn n TYR 793 Ca -0.03 0.79 0.11 0.00 -0.16 0.00 0.00 57.90 58.61 3hcn n TYR 793 Cb 0.57 -3.29 0.66 0.00 -0.31 0.00 0.00 39.34 36.97 3hcn n TYR 793 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3hcn s ASN 795 N -6.31 0.65 0.55 0.00 -0.87 -1.26 -4.96 114.94 102.74 3hcn s ASN 795 Ca -0.03 -1.03 -0.15 0.00 -1.57 0.00 0.00 52.86 50.08 3hcn s ASN 795 Cb 0.13 0.18 -0.06 0.00 -0.02 0.00 0.00 41.25 41.48 3hcn s ASN 795 CO 0.61 -0.58 1.01 -2.16 -2.57 0.00 0.00 177.10 173.41 3hcn s PRO 796 N -3.91 3.74 0.23 -0.60 0.04 -1.26 -4.88 135.00 128.35 3hcn s PRO 796 Ca 0.11 0.98 -0.09 0.00 0.04 0.00 0.00 61.00 62.03 3hcn s PRO 796 Cb 0.07 -2.10 -0.01 0.00 0.04 0.00 0.00 34.50 32.50 3hcn s PRO 796 CO -0.07 -0.45 0.37 1.52 0.04 0.00 0.00 177.00 178.41 3hcn s TYR 797 N -2.68 0.56 -0.08 0.56 -0.85 -1.26 -1.03 117.35 112.57 3hcn s TYR 797 Ca 0.59 -0.89 -0.17 0.00 -0.52 0.00 0.00 57.07 56.08 3hcn s TYR 797 Cb -0.11 -0.02 0.04 0.00 0.38 0.00 0.00 41.96 42.24 3hcn s TYR 797 CO 0.36 -0.88 0.42 1.03 -1.52 0.00 0.00 175.55 174.96 3hcn s ARG 798 N -4.05 0.66 -0.32 -3.49 1.81 -0.93 -4.96 118.95 107.68 3hcn s ARG 798 Ca 0.26 0.21 -0.11 0.00 -1.72 0.00 0.00 55.73 54.36 3hcn s ARG 798 Cb 0.02 0.31 -0.02 0.00 -0.45 0.00 0.00 34.95 34.80 3hcn s ARG 798 CO 0.09 -0.15 0.20 -1.17 -0.68 0.00 0.00 175.30 173.58 3hcn s LEU 799 N -0.66 4.26 0.40 2.53 2.96 -1.26 -1.33 118.68 125.59 3hcn s LEU 799 Ca -0.08 -0.34 0.06 0.00 -0.22 0.00 0.00 54.13 53.55 3hcn s LEU 799 Cb -0.04 -2.09 -0.07 0.00 0.50 0.00 0.00 46.19 44.50 3hcn s LEU 799 CO 0.04 -0.18 0.02 0.68 -1.32 0.00 0.00 176.35 175.59 3hcn s VAL 800 N 1.70 1.69 -0.07 1.68 -7.23 0.42 -4.75 120.40 113.83 3hcn s VAL 800 Ca 0.06 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.26 3hcn s VAL 800 Cb -0.17 -2.84 0.01 0.00 0.56 0.00 0.00 36.38 33.93 3hcn s VAL 800 CO 0.09 0.00 -0.17 0.26 -0.31 0.00 0.00 175.10 174.98 3hcn s TRP 801 N -2.87 1.83 0.42 2.82 0.52 -0.24 -2.08 118.94 119.34 3hcn s TRP 801 Ca 0.32 -0.68 0.08 0.00 0.02 0.00 0.00 56.10 55.84 3hcn s TRP 801 Cb 0.09 -1.28 -0.02 0.00 -1.15 0.00 0.00 33.47 31.11 3hcn s TRP 801 CO 0.16 -0.30 0.37 1.14 0.02 0.00 0.00 176.95 178.34 3hcn s GLN 802 N 0.44 2.51 -1.62 4.98 -2.07 0.34 -1.07 119.66 123.17 3hcn s GLN 802 Ca -0.14 -1.57 0.00 0.00 -1.82 0.00 0.00 55.36 51.84 3hcn s GLN 802 Cb -0.16 -2.35 0.00 0.00 -1.09 0.00 0.00 33.01 29.42 3hcn s GLN 802 CO 0.05 -0.20 0.00 0.43 -1.32 0.00 0.00 175.29 174.25 3hcn n SER 803 N -1.53 -4.76 -4.46 12.60 7.64 -1.26 -1.68 113.62 120.16 3hcn n SER 803 Ca 0.03 0.38 -0.39 0.00 1.01 0.00 0.00 58.87 59.90 3hcn n SER 803 Cb 0.62 -4.05 0.03 0.00 -1.01 0.00 0.00 64.21 59.80 3hcn n SER 803 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 3hcn n LYS 804 N -1.73 0.52 -4.50 1.43 2.85 -1.26 -4.92 118.16 110.54 3hcn n LYS 804 Ca -0.15 0.20 -0.22 0.00 -1.05 0.00 0.00 58.31 57.09 3hcn n LYS 804 Cb 0.56 -1.66 -0.14 0.00 -0.65 0.00 0.00 35.03 33.15 3hcn n LYS 804 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 177.40 177.49 3hcn s VAL 805 N -1.70 1.26 0.00 0.58 -7.23 -1.26 -5.09 120.40 106.96 3hcn s VAL 805 Ca 0.68 -0.96 0.00 0.00 -1.81 0.00 0.00 61.98 59.88 3hcn s VAL 805 Cb -0.47 -1.11 0.00 0.00 0.56 0.00 0.00 36.38 35.37 3hcn s VAL 805 CO 0.55 0.13 0.00 0.61 -0.31 0.00 0.00 175.10 176.08 3hcn n GLY 806 N 2.07 -0.23 0.65 2.32 0.00 -1.26 -4.69 105.19 104.05 3hcn n GLY 806 Ca -0.17 -1.87 0.12 0.00 0.00 0.00 0.00 46.02 44.10 3hcn n GLY 806 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3hcn n PRO 807 N -0.32 1.65 -1.78 1.61 -0.04 -1.26 -4.99 135.00 129.88 3hcn n PRO 807 Ca 0.00 -1.30 -0.30 0.00 -0.04 0.00 0.00 63.50 61.86 3hcn n PRO 807 Cb 0.00 -1.47 0.06 0.00 -0.04 0.00 0.00 33.50 32.04 3hcn n PRO 807 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 3hcn s MET 808 N -2.24 2.72 0.10 0.54 -1.94 -1.26 -5.00 119.30 112.22 3hcn s MET 808 Ca 0.25 0.55 -0.31 0.00 -1.71 0.00 0.00 55.69 54.48 3hcn s MET 808 Cb 0.19 -2.00 -0.07 0.00 2.01 0.00 0.00 34.83 34.96 3hcn s MET 808 CO 0.43 -1.16 1.37 -2.14 -0.01 0.00 0.00 175.02 173.51 3hcn s PRO 809 N -5.28 4.33 0.24 2.03 0.02 -1.26 -4.99 135.00 130.09 3hcn s PRO 809 Ca 0.59 2.03 0.09 0.00 0.02 0.00 0.00 61.00 63.72 3hcn s PRO 809 Cb -0.12 -3.28 -0.05 0.00 0.02 0.00 0.00 34.50 31.07 3hcn s PRO 809 CO 0.53 -0.42 -0.15 -1.58 -0.33 0.00 0.00 177.00 175.05 3hcn s TRP 810 N 1.19 1.90 0.12 6.54 0.52 -1.26 -1.07 118.94 126.88 3hcn s TRP 810 Ca 0.64 -0.53 -0.31 0.00 0.02 0.00 0.00 56.10 55.92 3hcn s TRP 810 Cb -0.36 -0.90 -0.09 0.00 -1.15 0.00 0.00 33.47 30.98 3hcn s TRP 810 CO 0.30 0.44 1.65 -1.17 0.02 0.00 0.00 176.95 178.19 3hcn s LEU 811 N -3.39 4.37 0.00 2.99 2.96 -0.06 -4.74 118.68 120.82 3hcn s LEU 811 Ca 0.25 2.59 0.00 0.00 -0.22 0.00 0.00 54.13 56.76 3hcn s LEU 811 Cb -0.01 -3.58 0.00 0.00 0.50 0.00 0.00 46.19 43.11 3hcn s LEU 811 CO 0.10 -0.89 0.02 0.61 -1.32 0.00 0.00 176.35 174.87 3hcn n GLY 812 N 3.95 3.82 3.75 7.98 0.00 -1.26 -4.65 105.19 118.78 3hcn n GLY 812 Ca 0.15 -2.26 -0.34 0.00 0.00 0.00 0.00 46.02 43.57 3hcn n GLY 812 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3hcn s PRO 813 N -2.64 2.69 0.33 1.61 0.04 -1.26 -4.82 135.00 130.95 3hcn s PRO 813 Ca 0.02 1.65 -0.27 0.00 0.04 0.00 0.00 61.00 62.44 3hcn s PRO 813 Cb -0.00 -1.91 -0.09 0.00 0.04 0.00 0.00 34.50 32.53 3hcn s PRO 813 CO 0.01 -1.38 1.02 -0.65 0.04 0.00 0.00 177.00 176.04 3hcn s GLN 814 N -3.74 4.49 0.17 4.56 -0.21 -1.26 -1.08 119.66 122.59 3hcn s GLN 814 Ca 0.73 1.53 -0.14 0.00 0.02 0.00 0.00 55.36 57.49 3hcn s GLN 814 Cb -0.26 -2.87 0.09 0.00 1.00 0.00 0.00 33.01 30.97 3hcn s GLN 814 CO 0.39 0.15 1.80 1.15 -2.12 0.00 0.00 175.29 176.66 3hcn h THR 815 N 2.66 1.03 0.42 -0.19 2.02 -1.43 -0.42 112.91 116.99 3hcn h THR 815 Ca -0.47 -0.19 -0.01 0.00 0.77 0.00 0.00 66.41 66.51 3hcn h THR 815 Cb 1.21 0.43 -0.01 0.00 -1.74 0.00 0.00 68.15 68.03 3hcn h THR 815 CO 0.65 0.10 -0.31 0.44 0.37 0.00 0.00 175.52 176.77 3hcn h ASP 816 N 0.55 -0.80 0.17 4.18 3.32 -1.93 -1.31 116.42 120.60 3hcn h ASP 816 Ca 0.20 0.06 -0.03 0.00 0.02 0.00 0.00 57.03 57.28 3hcn h ASP 816 Cb 0.04 0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.84 3hcn h ASP 816 CO -0.10 -0.47 -0.12 1.05 -1.72 0.00 0.00 179.24 177.88 3hcn h GLU 817 N -0.72 0.00 -0.08 3.56 4.11 -1.94 -2.25 114.58 117.27 3hcn h GLU 817 Ca -0.04 0.00 -0.17 0.00 0.07 0.00 0.00 59.36 59.22 3hcn h GLU 817 Cb 0.61 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 3hcn h GLU 817 CO 0.01 0.12 -0.68 0.77 0.07 0.00 0.00 179.01 179.30 3hcn h SER 818 N 0.00 0.39 -0.14 3.06 0.02 -0.65 -0.16 113.55 116.07 3hcn h SER 818 Ca -0.00 -0.24 -0.05 0.00 -0.84 0.00 0.00 61.79 60.65 3hcn h SER 818 Cb 0.24 -0.11 -0.00 0.00 0.14 0.00 0.00 62.40 62.66 3hcn h SER 818 CO 0.02 0.95 -0.12 0.40 -1.14 0.00 0.00 176.83 176.94 3hcn h ILE 819 N 0.23 1.34 -0.38 3.27 2.04 -0.70 -1.01 117.51 122.31 3hcn h ILE 819 Ca -0.02 -1.25 -0.00 0.00 1.00 0.00 0.00 64.86 64.59 3hcn h ILE 819 Cb 1.22 1.85 -0.02 0.00 -0.74 0.00 0.00 36.82 39.13 3hcn h ILE 819 CO 0.11 0.37 0.23 0.50 0.00 0.00 0.00 178.15 179.35 3hcn h LYS 820 N -0.03 0.52 -0.54 2.37 3.64 -1.42 -2.09 116.57 119.02 3hcn h LYS 820 Ca 0.03 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.35 3hcn h LYS 820 Cb 0.63 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.32 3hcn h LYS 820 CO 0.03 0.39 0.32 0.78 -2.27 0.00 0.00 179.45 178.70 3hcn h GLY 821 N 0.50 0.79 1.01 5.01 0.00 -0.98 -1.32 103.07 108.08 3hcn h GLY 821 Ca 0.14 -0.34 -0.03 0.00 0.00 0.00 0.00 47.33 47.10 3hcn h GLY 821 CO -0.03 0.33 0.31 1.41 0.00 0.00 0.00 176.54 178.56 3hcn h LEU 822 N 0.73 0.88 -0.45 3.11 3.38 -1.01 -2.22 115.31 119.72 3hcn h LEU 822 Ca 0.19 -0.14 -0.08 0.00 0.09 0.00 0.00 57.88 57.94 3hcn h LEU 822 Cb 0.00 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 3hcn h LEU 822 CO -0.04 0.78 -0.04 0.00 0.09 0.00 0.00 178.44 179.23 3hcn h GLU 824 N 0.66 0.00 -0.57 0.00 5.08 -1.03 -1.43 114.58 117.29 3hcn h GLU 824 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 3hcn h GLU 824 Cb 0.55 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.80 3hcn h GLU 824 CO 0.03 0.01 0.00 0.54 -1.00 0.00 0.00 179.01 178.59 3hcn n ARG 825 N -3.39 3.68 -0.06 2.33 1.74 -0.78 -4.96 116.66 115.22 3hcn n ARG 825 Ca -0.03 -2.84 0.00 0.00 -0.77 0.00 0.00 57.85 54.21 3hcn n ARG 825 Cb 0.11 -1.87 0.00 0.00 -1.02 0.00 0.00 32.46 29.68 3hcn n ARG 825 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hcn n GLY 826 N 0.83 0.46 3.44 -0.13 0.00 -0.54 -5.04 105.19 104.21 3hcn n GLY 826 Ca 0.24 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.83 3hcn n GLY 826 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hcn s ARG 827 N -0.90 3.10 0.00 1.61 1.81 0.10 -4.87 118.95 119.80 3hcn s ARG 827 Ca 0.00 -0.92 0.25 0.00 -1.72 0.00 0.00 55.73 53.35 3hcn s ARG 827 Cb 0.00 -4.23 0.54 0.00 -0.45 0.00 0.00 34.95 30.81 3hcn s ARG 827 CO 0.00 -1.73 1.45 1.63 -0.68 0.00 0.00 175.30 175.96 3hcn n LYS 828 N 7.37 1.65 -3.88 3.54 5.02 -1.26 -3.56 118.16 127.03 3hcn n LYS 828 Ca -0.05 -1.19 -0.28 0.00 -2.02 0.00 0.00 58.31 54.77 3hcn n LYS 828 Cb 0.45 -1.48 -0.16 0.00 -0.02 0.00 0.00 35.03 33.82 3hcn n LYS 828 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 3hcn s ASN 829 N -2.17 2.93 -0.02 4.39 -0.87 -1.26 -1.06 114.94 116.88 3hcn s ASN 829 Ca 0.29 -0.72 0.04 0.00 -1.57 0.00 0.00 52.86 50.90 3hcn s ASN 829 Cb 0.20 -0.92 -0.01 0.00 -0.02 0.00 0.00 41.25 40.50 3hcn s ASN 829 CO 0.40 -0.20 -0.15 -0.63 -2.57 0.00 0.00 177.10 173.95 3hcn s ILE 830 N 1.62 1.17 -0.23 0.60 1.01 0.25 -1.39 121.20 124.23 3hcn s ILE 830 Ca -0.00 -0.62 0.02 0.00 0.00 0.00 0.00 60.65 60.05 3hcn s ILE 830 Cb -0.16 -0.98 0.05 0.00 0.01 0.00 0.00 42.46 41.38 3hcn s ILE 830 CO -0.08 0.33 -0.13 -0.22 0.00 0.00 0.00 174.94 174.85 3hcn s LEU 831 N -0.27 2.98 0.07 2.97 2.96 -0.03 -1.42 118.68 125.93 3hcn s LEU 831 Ca 0.04 -1.16 -0.24 0.00 -0.22 0.00 0.00 54.13 52.55 3hcn s LEU 831 Cb -0.07 -1.48 -0.06 0.00 0.50 0.00 0.00 46.19 45.08 3hcn s LEU 831 CO -0.00 -0.14 0.73 -0.76 -1.32 0.00 0.00 176.35 174.85 3hcn s LEU 832 N 1.19 4.48 -0.15 -0.68 1.43 0.49 -0.26 118.68 125.18 3hcn s LEU 832 Ca -0.05 1.43 0.00 0.00 -1.03 0.00 0.00 54.13 54.49 3hcn s LEU 832 Cb -0.18 -3.17 0.02 0.00 0.03 0.00 0.00 46.19 42.89 3hcn s LEU 832 CO -0.07 0.09 -0.14 -0.69 0.23 0.00 0.00 176.35 175.77 3hcn s VAL 833 N -0.41 1.61 -1.25 -1.59 1.01 -0.28 -1.05 120.40 118.43 3hcn s VAL 833 Ca 0.36 -0.67 -0.19 0.00 0.00 0.00 0.00 61.98 61.48 3hcn s VAL 833 Cb -0.21 -1.51 0.00 0.00 0.00 0.00 0.00 36.38 34.66 3hcn s VAL 833 CO 0.22 0.45 1.87 -0.81 0.00 0.00 0.00 175.10 176.84 3hcn n PRO 834 N 4.76 2.57 0.08 2.72 -0.04 -1.26 -0.86 135.00 142.96 3hcn n PRO 834 Ca -0.17 -2.85 0.12 0.00 -0.04 0.00 0.00 63.50 60.56 3hcn n PRO 834 Cb 0.50 -3.50 0.46 0.00 -0.04 0.00 0.00 33.50 30.92 3hcn n PRO 834 CO 0.00 0.00 0.00 1.51 -0.04 0.00 0.00 175.50 176.97 3hcn n ILE 835 N 6.62 0.57 -0.77 0.52 0.13 -1.24 -4.03 119.36 121.16 3hcn n ILE 835 Ca 0.48 -0.06 0.02 0.00 -1.10 0.00 0.00 62.75 62.09 3hcn n ILE 835 Cb 0.45 -0.74 0.03 0.00 -0.84 0.00 0.00 39.64 38.54 3hcn n ILE 835 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 3hcn n ALA 836 N -1.70 1.82 -3.61 1.51 0.00 -1.26 -4.98 120.51 112.29 3hcn n ALA 836 Ca 0.05 -1.25 -0.09 0.00 0.00 0.00 0.00 53.44 52.15 3hcn n ALA 836 Cb 0.34 -0.16 -0.10 0.00 0.00 0.00 0.00 19.45 19.54 3hcn n ALA 836 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 3hcn s PHE 837 N -1.04 -0.74 -2.00 0.00 5.36 -1.26 -4.78 117.98 113.52 3hcn s PHE 837 Ca 0.07 1.31 0.28 0.00 -0.96 0.00 0.00 56.93 57.64 3hcn s PHE 837 Cb 0.06 0.20 1.69 0.00 -0.34 0.00 0.00 43.02 44.63 3hcn s PHE 837 CO 0.01 -0.50 2.03 0.25 -1.46 0.00 0.00 175.22 175.55 3hcn n THR 838 N 5.38 0.00 -4.33 0.12 -2.24 -1.26 -4.84 114.28 107.10 3hcn n THR 838 Ca -0.07 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.52 3hcn n THR 838 Cb 0.50 -0.55 -0.10 0.00 -2.10 0.00 0.00 70.33 68.07 3hcn n THR 838 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3hcn s SER 839 N -2.00 2.53 0.33 3.42 0.01 -1.26 -2.50 113.70 114.24 3hcn s SER 839 Ca 0.42 -0.97 -0.29 0.00 1.31 0.00 0.00 55.95 56.42 3hcn s SER 839 Cb 0.19 -0.13 -0.12 0.00 0.21 0.00 0.00 66.02 66.17 3hcn s SER 839 CO 0.33 -0.15 1.41 0.47 0.41 0.00 0.00 173.24 175.71 3hcn n ASP 840 N -0.18 3.24 -2.30 2.44 8.00 -1.26 -4.98 116.55 121.51 3hcn n ASP 840 Ca -0.10 1.20 -0.10 0.00 0.71 0.00 0.00 54.79 56.50 3hcn n ASP 840 Cb 0.59 -1.53 -0.03 0.00 -0.02 0.00 0.00 41.12 40.13 3hcn n ASP 840 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3hcn n HIS 841 N 0.86 -0.83 -1.77 1.24 1.44 -1.26 -4.68 115.22 110.22 3hcn n HIS 841 Ca 0.05 -1.58 -0.42 0.00 -2.01 0.00 0.00 57.72 53.76 3hcn n HIS 841 Cb 0.36 0.28 -0.03 0.00 0.12 0.00 0.00 29.99 30.72 3hcn n HIS 841 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 3hcn s ILE 842 N -2.74 2.15 0.84 0.61 1.01 -1.26 -4.99 121.20 116.82 3hcn s ILE 842 Ca 0.21 0.11 -0.09 0.00 0.00 0.00 0.00 60.65 60.87 3hcn s ILE 842 Cb 0.00 -3.07 0.16 0.00 0.01 0.00 0.00 42.46 39.56 3hcn s ILE 842 CO 0.15 0.01 1.17 -1.61 0.00 0.00 0.00 174.94 174.65 3hcn s GLU 843 N 1.11 1.20 0.63 2.79 2.02 -1.26 -5.04 118.70 120.15 3hcn s GLU 843 Ca 0.73 -0.67 -0.04 0.00 0.02 0.00 0.00 54.97 55.01 3hcn s GLU 843 Cb -0.48 -2.07 0.04 0.00 0.10 0.00 0.00 34.13 31.72 3hcn s GLU 843 CO 0.32 -1.92 0.92 0.95 0.02 0.00 0.00 175.26 175.55 3hcn s THR 844 N -3.54 2.73 0.20 3.63 -4.23 -1.26 -4.91 115.64 108.27 3hcn s THR 844 Ca 0.70 -0.31 -0.14 0.00 -1.18 0.00 0.00 61.69 60.76 3hcn s THR 844 Cb -0.05 -3.12 0.20 0.00 1.34 0.00 0.00 72.50 70.87 3hcn s THR 844 CO 0.49 -0.12 1.64 0.25 -0.54 0.00 0.00 174.62 176.34 3hcn h LEU 845 N -0.32 -0.50 0.00 4.79 5.85 -1.98 -1.16 115.31 122.00 3hcn h LEU 845 Ca -0.44 0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.45 3hcn h LEU 845 Cb 1.30 0.34 0.00 0.00 0.37 0.00 0.00 40.66 42.67 3hcn h LEU 845 CO 0.58 -0.18 0.00 -1.22 -0.34 0.00 0.00 178.44 177.28 3hcn n TYR 846 N -5.38 0.00 -0.05 1.25 4.02 -1.26 -0.68 117.16 115.06 3hcn n TYR 846 Ca 0.06 0.00 0.01 0.00 -0.01 0.00 0.00 57.90 57.96 3hcn n TYR 846 Cb 0.30 -0.22 -0.16 0.00 -0.02 0.00 0.00 39.34 39.25 3hcn n TYR 846 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 3hcn n GLU 847 N -1.22 0.67 -0.07 -0.72 1.02 -0.48 -4.68 120.64 115.16 3hcn n GLU 847 Ca 0.12 -0.07 -0.08 0.00 -0.02 0.00 0.00 57.16 57.10 3hcn n GLU 847 Cb 0.16 -1.55 -0.08 0.00 -0.02 0.00 0.00 31.44 29.95 3hcn n GLU 847 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3hcn n LEU 848 N -2.54 1.82 -4.57 -4.62 4.77 -0.93 -4.96 117.00 105.97 3hcn n LEU 848 Ca -0.18 -0.05 -0.42 0.00 -0.03 0.00 0.00 56.01 55.33 3hcn n LEU 848 Cb 0.86 -0.20 -0.05 0.00 -2.33 0.00 0.00 43.42 41.70 3hcn n LEU 848 CO 0.44 0.57 0.60 -0.62 -1.33 0.00 0.00 177.39 177.05 3hcn s ASP 849 N -5.03 6.52 0.30 -1.43 -1.08 0.15 -4.92 116.67 111.17 3hcn s ASP 849 Ca -0.14 0.23 0.02 0.00 -0.52 0.00 0.00 52.55 52.13 3hcn s ASP 849 Cb 0.04 -2.40 0.48 0.00 -1.46 0.00 0.00 42.92 39.58 3hcn s ASP 849 CO 0.39 -0.81 1.81 0.40 0.52 0.00 0.00 175.17 177.48 3hcn h ILE 850 N 5.84 1.23 0.28 4.11 2.04 -1.93 -1.56 117.51 127.52 3hcn h ILE 850 Ca -0.25 -0.95 -0.01 0.00 1.00 0.00 0.00 64.86 64.66 3hcn h ILE 850 Cb 1.09 1.01 -0.01 0.00 -0.74 0.00 0.00 36.82 38.17 3hcn h ILE 850 CO 0.94 0.32 -0.19 -0.08 0.00 0.00 0.00 178.15 179.14 3hcn h GLU 851 N 0.56 -0.45 -0.59 2.37 4.81 -1.96 -0.60 114.58 118.71 3hcn h GLU 851 Ca 0.11 0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 59.29 3hcn h GLU 851 Cb 0.44 0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.90 3hcn h GLU 851 CO 0.02 -0.30 0.06 1.88 -0.73 0.00 0.00 179.01 179.94 3hcn h TYR 852 N -0.46 1.04 -0.48 0.92 0.05 -1.89 -1.79 116.97 114.35 3hcn h TYR 852 Ca -0.02 -0.14 0.01 0.00 0.05 0.00 0.00 58.73 58.62 3hcn h TYR 852 Cb 0.40 -0.28 -0.02 0.00 1.01 0.00 0.00 36.73 37.83 3hcn h TYR 852 CO -0.11 0.90 0.32 0.77 -1.05 0.00 0.00 178.16 178.99 3hcn h SER 853 N 0.91 0.55 0.12 3.88 0.02 -1.09 -0.50 113.55 117.44 3hcn h SER 853 Ca 0.18 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.11 3hcn h SER 853 Cb 0.45 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.85 3hcn h SER 853 CO 0.02 0.39 -0.06 -0.61 -1.14 0.00 0.00 176.83 175.43 3hcn h GLN 854 N 0.65 -0.16 -0.60 3.45 4.15 -0.90 -0.94 115.11 120.76 3hcn h GLN 854 Ca 0.18 0.01 0.09 0.00 0.77 0.00 0.00 58.65 59.70 3hcn h GLN 854 Cb -0.07 0.04 -0.07 0.00 0.21 0.00 0.00 27.48 27.59 3hcn h GLN 854 CO -0.04 0.04 0.22 0.28 -1.93 0.00 0.00 178.83 177.40 3hcn h VAL 855 N -0.33 0.77 -0.42 2.39 2.07 -1.17 0.95 116.25 120.50 3hcn h VAL 855 Ca -0.02 -0.14 -0.02 0.00 0.82 0.00 0.00 66.70 67.35 3hcn h VAL 855 Cb 0.27 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 30.36 3hcn h VAL 855 CO 0.03 0.07 0.20 0.25 0.02 0.00 0.00 177.57 178.14 3hcn h LEU 856 N 0.40 0.55 -1.12 2.57 5.85 -0.96 0.22 115.31 122.82 3hcn h LEU 856 Ca 0.30 -0.13 -0.08 0.00 0.84 0.00 0.00 57.88 58.82 3hcn h LEU 856 Cb 0.37 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 3hcn h LEU 856 CO -0.30 0.52 -0.23 0.00 -0.34 0.00 0.00 178.44 178.09 3hcn h ALA 857 N 1.05 1.27 0.00 1.25 0.00 -0.33 0.38 119.26 122.87 3hcn h ALA 857 Ca 0.15 -0.30 -0.21 0.00 0.00 0.00 0.00 54.91 54.54 3hcn h ALA 857 Cb 0.12 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 3hcn h ALA 857 CO -0.02 0.49 -1.12 0.87 0.00 0.00 0.00 179.25 179.46 3hcn h LYS 858 N 0.31 0.00 0.10 0.00 1.79 -0.59 -0.73 116.57 117.45 3hcn h LYS 858 Ca 0.05 0.00 -0.31 0.00 -2.18 0.00 0.00 60.65 58.21 3hcn h LYS 858 Cb 0.57 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.21 3hcn h LYS 858 CO 0.04 0.79 -1.58 1.49 -1.08 0.00 0.00 179.45 179.11 3hcn h GLU 859 N 0.00 0.22 0.00 3.15 4.81 -0.36 -3.41 114.58 118.98 3hcn h GLU 859 Ca -0.08 -0.37 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 3hcn h GLU 859 Cb 1.77 0.14 0.00 0.00 0.63 0.00 0.00 28.75 31.29 3hcn h GLU 859 CO 0.11 1.05 0.00 0.00 -0.73 0.00 0.00 179.01 179.44 3hcn n GLY 861 N 0.43 -0.07 3.77 0.00 0.00 -0.28 -4.89 105.19 104.14 3hcn n GLY 861 Ca 0.00 -0.04 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 3hcn n GLY 861 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3hcn n VAL 862 N -2.59 2.17 -0.11 1.61 0.31 -1.26 -4.88 118.33 113.59 3hcn n VAL 862 Ca -0.11 -0.50 -0.22 0.00 -0.01 0.00 0.00 64.34 63.50 3hcn n VAL 862 Cb 0.58 -1.92 -0.07 0.00 -0.91 0.00 0.00 33.84 31.52 3hcn n VAL 862 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3hcn n GLU 863 N 0.31 0.48 -3.70 5.55 1.02 -0.23 -4.87 120.64 119.20 3hcn n GLU 863 Ca 0.02 0.21 -0.13 0.00 -0.02 0.00 0.00 57.16 57.24 3hcn n GLU 863 Cb 0.39 -1.31 -0.13 0.00 -0.02 0.00 0.00 31.44 30.37 3hcn n GLU 863 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 3hcn s ASN 864 N -6.87 0.01 -0.24 1.62 -0.87 -0.46 -5.03 114.94 103.11 3hcn s ASN 864 Ca -0.31 0.55 0.00 0.00 -1.57 0.00 0.00 52.86 51.54 3hcn s ASN 864 Cb 0.11 0.53 0.06 0.00 -0.02 0.00 0.00 41.25 41.93 3hcn s ASN 864 CO 0.40 -0.20 -0.03 -0.63 -2.57 0.00 0.00 177.10 174.07 3hcn s ILE 865 N 1.76 1.40 0.27 0.60 1.01 -1.26 -0.59 121.20 124.39 3hcn s ILE 865 Ca -0.05 -1.18 0.08 0.00 0.00 0.00 0.00 60.65 59.51 3hcn s ILE 865 Cb -0.11 -1.72 -0.06 0.00 0.01 0.00 0.00 42.46 40.58 3hcn s ILE 865 CO -0.09 -0.16 -0.11 -0.13 0.00 0.00 0.00 174.94 174.46 3hcn s ARG 866 N 1.45 1.58 -0.07 2.79 0.52 -0.51 -5.01 118.95 119.70 3hcn s ARG 866 Ca -0.04 -1.77 0.03 0.00 -0.52 0.00 0.00 55.73 53.44 3hcn s ARG 866 Cb -0.19 -1.37 0.00 0.00 0.52 0.00 0.00 34.95 33.92 3hcn s ARG 866 CO -0.07 0.15 -0.16 0.50 0.02 0.00 0.00 175.30 175.73 3hcn s ARG 867 N -3.64 2.01 0.46 3.54 3.52 -1.26 -0.38 118.95 123.20 3hcn s ARG 867 Ca 0.29 -0.58 -0.24 0.00 -0.13 0.00 0.00 55.73 55.07 3hcn s ARG 867 Cb 0.01 -1.64 -0.07 0.00 -1.56 0.00 0.00 34.95 31.68 3hcn s ARG 867 CO 0.12 0.13 1.26 0.00 -0.81 0.00 0.00 175.30 176.00 3hcn s ALA 868 N 0.39 3.04 0.49 6.12 0.00 -0.22 -4.94 121.76 126.63 3hcn s ALA 868 Ca -0.12 1.13 -0.22 0.00 0.00 0.00 0.00 51.96 52.75 3hcn s ALA 868 Cb -0.15 -3.46 -0.07 0.00 0.00 0.00 0.00 23.12 19.44 3hcn s ALA 868 CO 0.04 -0.88 1.17 -1.83 0.00 0.00 0.00 175.76 174.27 3hcn s GLU 869 N -2.58 3.61 0.81 0.00 -1.05 -1.26 -4.67 118.70 113.56 3hcn s GLU 869 Ca 0.63 1.78 -0.10 0.00 -0.15 0.00 0.00 54.97 57.13 3hcn s GLU 869 Cb -0.35 -2.31 0.08 0.00 -0.44 0.00 0.00 34.13 31.12 3hcn s GLU 869 CO 0.43 -0.67 1.11 -1.12 0.95 0.00 0.00 175.26 175.95 3hcn s SER 870 N -1.41 4.09 0.47 0.83 0.01 -1.26 -4.90 113.70 111.53 3hcn s SER 870 Ca 0.66 1.93 0.12 0.00 1.31 0.00 0.00 55.95 59.97 3hcn s SER 870 Cb -0.29 -2.53 1.09 0.00 0.21 0.00 0.00 66.02 64.50 3hcn s SER 870 CO 0.34 -2.32 2.11 -0.07 0.41 0.00 0.00 173.24 173.71 3hcn h LEU 871 N -1.31 0.19 0.00 2.44 3.38 -1.84 -3.44 115.31 114.73 3hcn h LEU 871 Ca -0.43 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.53 3hcn h LEU 871 Cb 1.24 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.94 3hcn h LEU 871 CO 0.49 0.15 0.00 0.59 0.09 0.00 0.00 178.44 179.75 3hcn n ASN 872 N -4.50 0.00 -1.86 -0.43 3.02 -1.04 -1.05 115.26 109.40 3hcn n ASN 872 Ca -0.01 0.00 -0.05 0.00 -0.03 0.00 0.00 54.58 54.49 3hcn n ASN 872 Cb 0.08 0.00 0.29 0.00 -0.61 0.00 0.00 39.78 39.55 3hcn n ASN 872 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hcn n GLY 873 N 0.00 3.83 3.66 7.41 0.00 -1.26 -4.81 105.19 114.02 3hcn n GLY 873 Ca 0.00 -1.03 -0.42 0.00 0.00 0.00 0.00 46.02 44.57 3hcn n GLY 873 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3hcn s ASN 874 N -1.24 6.59 0.50 1.61 3.04 -0.21 -4.88 114.94 120.34 3hcn s ASN 874 Ca 0.53 2.40 0.23 0.00 0.04 0.00 0.00 52.86 56.07 3hcn s ASN 874 Cb 0.43 -2.53 1.30 0.00 -1.54 0.00 0.00 41.25 38.91 3hcn s ASN 874 CO 0.12 -0.97 1.94 -0.65 -3.04 0.00 0.00 177.10 174.50 3hcn h PRO 875 N 9.88 0.14 0.00 0.43 0.11 -1.94 0.22 132.00 140.85 3hcn h PRO 875 Ca -0.43 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.62 3hcn h PRO 875 Cb 1.20 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 3hcn h PRO 875 CO 0.95 0.09 -0.23 1.25 -0.21 0.00 0.00 178.00 179.85 3hcn h LEU 876 N 0.14 0.00 -0.11 2.35 5.85 -1.98 -1.44 115.31 120.13 3hcn h LEU 876 Ca 0.34 0.00 -0.24 0.00 0.84 0.00 0.00 57.88 58.82 3hcn h LEU 876 Cb 1.12 0.00 0.01 0.00 0.37 0.00 0.00 40.66 42.17 3hcn h LEU 876 CO -0.05 0.23 -0.92 0.15 -0.34 0.00 0.00 178.44 177.51 3hcn h PHE 877 N 0.00 0.95 -0.77 1.25 -0.00 -0.89 -1.50 116.94 115.99 3hcn h PHE 877 Ca -0.00 -0.48 -0.03 0.00 -0.00 0.00 0.00 57.97 57.46 3hcn h PHE 877 Cb 0.59 -0.12 -0.04 0.00 -0.00 0.00 0.00 35.95 36.38 3hcn h PHE 877 CO 0.00 1.30 0.36 0.77 -0.00 0.00 0.00 178.31 180.74 3hcn h SER 878 N 0.41 1.00 -0.05 0.41 0.02 -1.22 -0.64 113.55 113.48 3hcn h SER 878 Ca -0.09 -0.12 -0.08 0.00 -0.84 0.00 0.00 61.79 60.66 3hcn h SER 878 Cb 1.56 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 63.82 3hcn h SER 878 CO 0.18 0.85 -0.19 0.50 -1.14 0.00 0.00 176.83 177.03 3hcn h LYS 879 N 1.09 0.43 -0.20 3.45 3.64 -1.16 -1.53 116.57 122.28 3hcn h LYS 879 Ca 0.26 -0.14 -0.02 0.00 -1.27 0.00 0.00 60.65 59.49 3hcn h LYS 879 Cb 0.12 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.90 3hcn h LYS 879 CO -0.03 0.60 0.06 0.00 -2.27 0.00 0.00 179.45 177.81 3hcn h ALA 880 N 1.42 0.27 -0.45 5.00 0.00 -0.14 -0.73 119.26 124.62 3hcn h ALA 880 Ca 0.07 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3hcn h ALA 880 Cb 0.55 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 3hcn h ALA 880 CO 0.04 -0.10 0.29 -0.07 0.00 0.00 0.00 179.25 179.41 3hcn h LEU 881 N 0.15 0.52 -0.58 0.00 3.38 -0.87 -1.07 115.31 116.84 3hcn h LEU 881 Ca 0.07 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 3hcn h LEU 881 Cb 0.24 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 3hcn h LEU 881 CO -0.00 0.39 0.18 0.00 0.09 0.00 0.00 178.44 179.10 3hcn h ALA 882 N 1.16 0.76 -0.77 1.53 0.00 -1.20 -2.01 119.26 118.72 3hcn h ALA 882 Ca 0.17 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.88 3hcn h ALA 882 Cb -0.06 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.47 3hcn h ALA 882 CO -0.03 0.42 0.51 0.22 0.00 0.00 0.00 179.25 180.37 3hcn h ASP 883 N 0.82 0.89 -0.39 0.00 3.58 -0.83 0.99 116.42 121.48 3hcn h ASP 883 Ca 0.19 -0.02 -0.02 0.00 0.42 0.00 0.00 57.03 57.60 3hcn h ASP 883 Cb 0.29 -0.22 -0.02 0.00 1.72 0.00 0.00 39.33 41.10 3hcn h ASP 883 CO -0.01 0.65 0.18 -0.07 -2.88 0.00 0.00 179.24 177.12 3hcn h LEU 884 N 1.05 0.52 -0.40 2.28 3.38 -0.92 -0.81 115.31 120.41 3hcn h LEU 884 Ca 0.28 -0.13 -0.11 0.00 0.09 0.00 0.00 57.88 58.01 3hcn h LEU 884 Cb -0.12 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 3hcn h LEU 884 CO -0.06 0.51 -0.18 0.58 0.09 0.00 0.00 178.44 179.37 3hcn h VAL 885 N 0.49 1.28 0.14 1.22 2.07 -1.06 -1.65 116.25 118.75 3hcn h VAL 885 Ca 0.13 -1.32 -0.00 0.00 0.82 0.00 0.00 66.70 66.34 3hcn h VAL 885 Cb 0.13 1.29 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 3hcn h VAL 885 CO -0.02 0.44 -0.11 -0.74 0.02 0.00 0.00 177.57 177.17 3hcn h HIS 886 N 0.63 -0.28 -0.63 1.57 -0.00 -0.68 -0.77 115.15 115.00 3hcn h HIS 886 Ca 0.09 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.46 3hcn h HIS 886 Cb 0.74 0.10 -0.03 0.00 -0.00 0.00 0.00 27.41 28.22 3hcn h HIS 886 CO 0.06 -0.17 0.39 0.77 -0.00 0.00 0.00 177.93 178.98 3hcn h SER 887 N -0.26 0.74 -0.06 3.26 0.02 -1.14 -1.46 113.55 114.64 3hcn h SER 887 Ca -0.01 -0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 60.91 3hcn h SER 887 Cb 0.23 -0.18 -0.00 0.00 0.14 0.00 0.00 62.40 62.58 3hcn h SER 887 CO -0.01 0.55 0.04 -0.74 -1.14 0.00 0.00 176.83 175.53 3hcn h HIS 888 N 0.86 0.09 -0.15 3.45 6.17 -0.79 -0.81 115.15 123.97 3hcn h HIS 888 Ca 0.23 -0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.31 3hcn h HIS 888 Cb -0.06 -0.03 -0.01 0.00 2.52 0.00 0.00 27.41 29.83 3hcn h HIS 888 CO 0.00 0.14 0.09 0.82 0.71 0.00 0.00 177.93 179.69 3hcn h ILE 889 N 0.01 1.05 -0.27 6.26 2.04 -0.75 -2.54 117.51 123.31 3hcn h ILE 889 Ca 0.02 -0.12 -0.01 0.00 1.00 0.00 0.00 64.86 65.76 3hcn h ILE 889 Cb 0.08 0.87 -0.01 0.00 -0.74 0.00 0.00 36.82 37.01 3hcn h ILE 889 CO -0.00 0.05 0.14 1.56 0.00 0.00 0.00 178.15 179.90 3hcn h GLN 890 N 0.18 0.37 0.00 2.37 4.20 -1.13 -2.44 115.11 118.66 3hcn h GLN 890 Ca 0.05 -0.03 -0.04 0.00 0.06 0.00 0.00 58.65 58.69 3hcn h GLN 890 Cb 0.00 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.70 3hcn h GLN 890 CO -0.01 0.28 -0.18 0.66 -0.67 0.00 0.00 178.83 178.92 3hcn h SER 891 N 0.38 0.00 -0.18 1.46 4.64 -0.81 -3.47 113.55 115.57 3hcn h SER 891 Ca 0.10 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.34 3hcn h SER 891 Cb 0.03 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.09 3hcn h SER 891 CO -0.02 0.18 -0.07 0.59 -0.87 0.00 0.00 176.83 176.64 3hcn n ASN 892 N -3.19 -4.89 -4.78 4.97 5.03 -0.92 -4.97 115.26 106.51 3hcn n ASN 892 Ca 0.02 0.09 -0.35 0.00 0.87 0.00 0.00 54.58 55.21 3hcn n ASN 892 Cb 0.52 -2.72 -0.01 0.00 -1.02 0.00 0.00 39.78 36.55 3hcn n ASN 892 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 3hcn s GLU 893 N -1.83 3.63 -0.03 3.52 2.02 -1.25 -4.96 118.70 119.80 3hcn s GLU 893 Ca 0.00 1.56 0.20 0.00 0.02 0.00 0.00 54.97 56.75 3hcn s GLU 893 Cb 0.00 -2.15 -0.24 0.00 0.10 0.00 0.00 34.13 31.84 3hcn s GLU 893 CO 0.00 -0.61 0.51 1.28 0.02 0.00 0.00 175.26 176.46 3hcn n LEU 894 N -0.94 0.26 -3.65 1.80 4.77 -1.26 -4.72 117.00 113.26 3hcn n LEU 894 Ca 0.10 0.11 0.02 0.00 -0.03 0.00 0.00 56.01 56.20 3hcn n LEU 894 Cb 0.51 0.13 -0.00 0.00 -2.33 0.00 0.00 43.42 41.72 3hcn n LEU 894 CO 0.43 0.13 1.07 0.00 -1.33 0.00 0.00 177.39 177.68 3hcn s SER 896 N -3.05 4.76 0.33 0.00 1.04 -1.26 -4.92 113.70 110.59 3hcn s SER 896 Ca 0.15 1.64 0.05 0.00 0.48 0.00 0.00 55.95 58.28 3hcn s SER 896 Cb 0.05 -2.42 0.58 0.00 0.10 0.00 0.00 66.02 64.33 3hcn s SER 896 CO -0.04 -1.84 1.82 0.50 0.98 0.00 0.00 173.24 174.66 3hcn h LYS 897 N -1.00 0.41 -0.34 4.02 1.63 -2.01 -2.57 116.57 116.71 3hcn h LYS 897 Ca -0.45 -0.12 -0.00 0.00 -0.85 0.00 0.00 60.65 59.23 3hcn h LYS 897 Cb 1.23 -0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 32.80 3hcn h LYS 897 CO 0.55 0.56 0.19 1.96 -3.45 0.00 0.00 179.45 179.26 3hcn h GLN 898 N 0.38 0.45 0.00 1.90 1.08 -1.95 -2.06 115.11 114.92 3hcn h GLN 898 Ca 0.07 -0.04 -0.01 0.00 -1.45 0.00 0.00 58.65 57.22 3hcn h GLN 898 Cb 0.49 -0.10 -0.00 0.00 -0.05 0.00 0.00 27.48 27.82 3hcn h GLN 898 CO 0.03 0.33 -0.06 1.25 -0.95 0.00 0.00 178.83 179.43 3hcn h LEU 899 N 0.46 0.00 0.00 1.46 5.85 -1.82 -2.34 115.31 118.92 3hcn h LEU 899 Ca 0.12 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.84 3hcn h LEU 899 Cb -0.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 3hcn h LEU 899 CO -0.02 0.06 0.00 0.35 -0.34 0.00 0.00 178.44 178.49 3hcn n THR 900 N -3.31 0.06 -4.05 1.05 -2.24 -0.77 -4.58 114.28 100.44 3hcn n THR 900 Ca -0.01 0.02 -0.31 0.00 -2.27 0.00 0.00 64.05 61.47 3hcn n THR 900 Cb 0.24 -0.62 -0.16 0.00 -2.10 0.00 0.00 70.33 67.69 3hcn n THR 900 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 3hcn s LEU 901 N -2.15 2.22 0.69 3.22 2.96 -0.88 -5.13 118.68 119.62 3hcn s LEU 901 Ca 0.34 -0.77 -0.10 0.00 -0.22 0.00 0.00 54.13 53.38 3hcn s LEU 901 Cb 0.17 -1.33 0.02 0.00 0.50 0.00 0.00 46.19 45.55 3hcn s LEU 901 CO 0.31 -0.08 1.06 -0.44 -1.32 0.00 0.00 176.35 175.88 3hcn s SER 902 N 1.35 5.32 0.42 3.68 0.01 -1.26 -4.99 113.70 118.22 3hcn s SER 902 Ca 0.01 0.96 -0.25 0.00 1.31 0.00 0.00 55.95 57.98 3hcn s SER 902 Cb -0.15 -1.75 -0.10 0.00 0.21 0.00 0.00 66.02 64.24 3hcn s SER 902 CO -0.10 -1.37 1.25 0.00 0.41 0.00 0.00 173.24 173.43 3hcn h PRO 904 N 2.06 0.00 -0.22 0.00 0.11 -1.84 -2.22 132.00 129.89 3hcn h PRO 904 Ca -0.47 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.48 3hcn h PRO 904 Cb 1.30 0.00 -0.12 0.00 0.11 0.00 0.00 31.00 32.29 3hcn h PRO 904 CO 0.60 0.00 -0.53 1.28 -0.21 0.00 0.00 178.00 179.13 3hcn n LEU 905 N -4.36 3.41 -4.74 2.35 4.77 -0.76 -5.05 117.00 112.62 3hcn n LEU 905 Ca 0.09 -4.11 -0.42 0.00 -0.03 0.00 0.00 56.01 51.54 3hcn n LEU 905 Cb 0.59 -0.50 -0.02 0.00 -2.33 0.00 0.00 43.42 41.16 3hcn n LEU 905 CO 0.37 1.57 1.26 0.00 -1.33 0.00 0.00 177.39 179.26 3hcn n VAL 907 N 2.90 1.51 -3.69 0.00 0.24 -1.26 -4.96 118.33 113.07 3hcn n VAL 907 Ca 0.11 -1.81 -0.39 0.00 -2.04 0.00 0.00 64.34 60.21 3hcn n VAL 907 Cb 0.37 -0.08 -0.11 0.00 -1.47 0.00 0.00 33.84 32.55 3hcn n VAL 907 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 3hcn s ASN 908 N -2.48 5.45 0.65 -1.34 3.84 -1.26 -4.98 114.94 114.83 3hcn s ASN 908 Ca 0.25 -1.33 0.40 0.00 0.21 0.00 0.00 52.86 52.39 3hcn s ASN 908 Cb 0.22 -1.92 2.22 0.00 -0.55 0.00 0.00 41.25 41.23 3hcn s ASN 908 CO 0.02 -0.42 2.30 1.55 -2.79 0.00 0.00 177.10 177.76 3hcn h PRO 909 N 8.29 0.00 -0.02 0.43 0.13 -2.02 -2.59 132.00 136.22 3hcn h PRO 909 Ca -0.22 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.77 3hcn h PRO 909 Cb 1.08 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.19 3hcn h PRO 909 CO 0.67 0.00 -0.61 0.28 -0.23 0.00 0.00 178.00 178.11 3hcn h VAL 910 N 0.00 1.42 -0.51 1.56 2.07 -2.00 -3.28 116.25 115.51 3hcn h VAL 910 Ca 0.00 -2.06 0.09 0.00 0.82 0.00 0.00 66.70 65.56 3hcn h VAL 910 Cb 0.08 2.09 -0.08 0.00 -1.52 0.00 0.00 31.29 31.87 3hcn h VAL 910 CO -0.00 0.60 0.08 0.00 0.02 0.00 0.00 177.57 178.26 3hcn h ARG 912 N 0.20 0.88 -0.48 0.00 2.43 -1.75 -1.48 114.38 114.18 3hcn h ARG 912 Ca 0.26 -0.16 -0.08 0.00 -0.81 0.00 0.00 59.98 59.18 3hcn h ARG 912 Cb 0.37 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.76 3hcn h ARG 912 CO -0.36 0.76 -0.02 0.93 -1.51 0.00 0.00 179.97 179.76 3hcn h GLU 913 N 0.85 0.87 -0.59 0.20 4.39 -1.28 -2.25 114.58 116.78 3hcn h GLU 913 Ca 0.19 -0.29 -0.05 0.00 0.34 0.00 0.00 59.36 59.56 3hcn h GLU 913 Cb 0.25 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.80 3hcn h GLU 913 CO -0.01 0.92 0.19 1.15 -1.16 0.00 0.00 179.01 180.10 3hcn h THR 914 N 0.73 1.24 -0.02 1.13 2.02 -0.70 -0.92 112.91 116.38 3hcn h THR 914 Ca 0.13 -0.81 0.02 0.00 0.77 0.00 0.00 66.41 66.52 3hcn h THR 914 Cb 0.55 0.66 -0.03 0.00 -1.74 0.00 0.00 68.15 67.59 3hcn h THR 914 CO 0.03 0.31 -0.10 0.50 0.37 0.00 0.00 175.52 176.62 3hcn h LYS 915 N 0.83 -0.16 -0.27 6.66 3.64 -1.11 -2.17 116.57 124.00 3hcn h LYS 915 Ca 0.19 0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.54 3hcn h LYS 915 Cb 0.28 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.12 3hcn h LYS 915 CO -0.01 -0.11 0.01 0.77 -2.27 0.00 0.00 179.45 177.84 3hcn h SER 916 N -0.16 0.36 -0.40 4.20 0.02 -1.26 -1.02 113.55 115.30 3hcn h SER 916 Ca 0.05 -0.05 0.05 0.00 -0.84 0.00 0.00 61.79 61.00 3hcn h SER 916 Cb 0.23 -0.09 -0.05 0.00 0.14 0.00 0.00 62.40 62.62 3hcn h SER 916 CO -0.12 0.42 0.11 0.15 -1.14 0.00 0.00 176.83 176.25 3hcn h PHE 917 N 0.38 0.19 0.07 3.45 3.57 -0.54 -1.60 116.94 122.47 3hcn h PHE 917 Ca 0.09 0.02 -0.20 0.00 3.53 0.00 0.00 57.97 61.41 3hcn h PHE 917 Cb 0.25 -0.03 0.02 0.00 2.79 0.00 0.00 35.95 38.98 3hcn h PHE 917 CO 0.01 0.06 -0.83 0.74 -2.23 0.00 0.00 178.31 176.05 3hcn h PHE 918 N 0.26 0.71 0.00 0.41 -1.00 -1.01 -3.24 116.94 113.07 3hcn h PHE 918 Ca 0.19 -0.43 -0.02 0.00 2.81 0.00 0.00 57.97 60.51 3hcn h PHE 918 Cb 0.19 -0.06 -0.00 0.00 3.61 0.00 0.00 35.95 39.69 3hcn h PHE 918 CO -0.17 1.28 -0.09 1.79 -1.61 0.00 0.00 178.31 179.51 3hcn h THR 919 N -0.06 0.36 -0.09 -1.55 1.35 -1.15 -2.93 112.91 108.84 3hcn h THR 919 Ca -0.12 -0.55 0.00 0.00 -0.55 0.00 0.00 66.41 65.19 3hcn h THR 919 Cb 1.57 1.40 0.00 0.00 -1.73 0.00 0.00 68.15 69.39 3hcn h THR 919 CO 0.16 0.09 0.00 -1.20 -0.25 0.00 0.00 175.52 174.32 3hcn n SER 920 N -3.40 2.43 -4.74 5.36 7.64 -0.61 -5.00 113.62 115.32 3hcn n SER 920 Ca -0.01 -1.81 -0.38 0.00 1.01 0.00 0.00 58.87 57.68 3hcn n SER 920 Cb 0.26 -0.04 0.05 0.00 -1.01 0.00 0.00 64.21 63.46 3hcn n SER 920 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3hcn n GLN 921 N 0.88 1.62 -1.86 1.43 1.13 -1.11 -4.91 117.38 114.56 3hcn n GLN 921 Ca 0.17 0.60 -0.42 0.00 -1.94 0.00 0.00 57.00 55.40 3hcn n GLN 921 Cb 0.49 -2.55 -0.03 0.00 0.11 0.00 0.00 30.24 28.26 3hcn n GLN 921 CO 0.00 0.00 0.00 -1.14 -1.44 0.00 0.00 177.06 174.48 3hcn s GLN 922 N -2.91 4.18 0.00 -1.09 0.74 -1.26 -5.02 119.66 114.30 3hcn s GLN 922 Ca 0.73 2.46 0.00 0.00 0.05 0.00 0.00 55.36 58.60 3hcn s GLN 922 Cb -0.42 -3.10 0.00 0.00 1.10 0.00 0.00 33.01 30.60 3hcn s GLN 922 CO 0.48 -0.62 0.00 1.28 -0.55 0.00 0.00 175.29 175.88