#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nvv s MET 567 N 0.00 0.23 0.19 -1.09 -2.45 -1.26 -5.13 119.30 109.80 1nvv s MET 567 Ca 0.00 -0.16 -0.33 0.00 -1.25 0.00 0.00 55.69 53.95 1nvv s MET 567 Cb 0.00 -1.85 -0.13 0.00 1.25 0.00 0.00 34.83 34.10 1nvv s MET 567 CO 0.00 -0.64 1.67 0.54 1.05 0.00 0.00 175.02 177.64 1nvv n ARG 568 N 5.21 2.56 -2.77 4.11 1.74 -1.26 -5.01 116.66 121.24 1nvv n ARG 568 Ca -0.07 0.92 -0.24 0.00 -0.77 0.00 0.00 57.85 57.69 1nvv n ARG 568 Cb 0.49 -2.74 0.02 0.00 -1.02 0.00 0.00 32.46 29.20 1nvv n ARG 568 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1nvv s LEU 569 N 1.09 3.49 0.85 0.55 1.43 -1.26 -5.06 118.68 119.77 1nvv s LEU 569 Ca 0.76 0.41 -0.11 0.00 -1.03 0.00 0.00 54.13 54.16 1nvv s LEU 569 Cb -0.57 -3.27 0.11 0.00 0.03 0.00 0.00 46.19 42.49 1nvv s LEU 569 CO 0.34 -0.84 1.15 -2.84 0.23 0.00 0.00 176.35 174.39 1nvv s PRO 570 N -4.71 1.44 0.29 1.29 0.02 -1.26 -4.92 135.00 127.15 1nvv s PRO 570 Ca 0.51 1.52 -0.30 0.00 0.02 0.00 0.00 61.00 62.75 1nvv s PRO 570 Cb -0.10 -1.78 -0.10 0.00 0.02 0.00 0.00 34.50 32.54 1nvv s PRO 570 CO 0.40 -2.31 1.45 0.45 -0.33 0.00 0.00 177.00 176.66 1nvv s SER 571 N -2.69 6.59 0.10 2.53 0.15 -1.26 -4.84 113.70 114.28 1nvv s SER 571 Ca 0.67 2.77 0.13 0.00 0.70 0.00 0.00 55.95 60.21 1nvv s SER 571 Cb -0.23 -2.64 0.58 0.00 -1.71 0.00 0.00 66.02 62.02 1nvv s SER 571 CO 0.55 -0.73 1.39 0.00 1.20 0.00 0.00 173.24 175.65 1nvv n ALA 572 N 1.81 1.35 0.72 5.45 0.00 -1.26 -1.75 120.51 126.83 1nvv n ALA 572 Ca 0.05 0.03 0.12 0.00 0.00 0.00 0.00 53.44 53.65 1nvv n ALA 572 Cb 0.40 -1.20 0.27 0.00 0.00 0.00 0.00 19.45 18.92 1nvv n ALA 572 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1nvv n ASP 573 N -1.76 0.60 -0.00 0.00 8.00 -1.26 -4.00 116.55 118.13 1nvv n ASP 573 Ca 0.01 0.14 0.01 0.00 0.71 0.00 0.00 54.79 55.66 1nvv n ASP 573 Cb 0.10 -0.03 -0.01 0.00 -0.02 0.00 0.00 41.12 41.17 1nvv n ASP 573 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 1nvv n VAL 574 N -1.93 0.00 -3.49 2.53 0.24 -0.71 -4.94 118.33 110.03 1nvv n VAL 574 Ca 0.04 -0.35 -0.21 0.00 -2.04 0.00 0.00 64.34 61.78 1nvv n VAL 574 Cb 0.40 0.86 -0.13 0.00 -1.47 0.00 0.00 33.84 33.51 1nvv n VAL 574 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 1nvv s TYR 575 N -1.40 -0.17 0.63 6.34 5.04 -0.73 -4.94 117.35 122.12 1nvv s TYR 575 Ca 0.00 -0.16 0.36 0.00 -2.44 0.00 0.00 57.07 54.84 1nvv s TYR 575 Cb 0.01 -0.53 2.06 0.00 0.35 0.00 0.00 41.96 43.86 1nvv s TYR 575 CO 0.06 -0.73 2.28 0.00 -1.34 0.00 0.00 175.55 175.83 1nvv h ARG 576 N 8.33 0.00 -0.39 4.97 3.08 -1.86 -2.45 114.38 126.06 1nvv h ARG 576 Ca -0.16 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.89 1nvv h ARG 576 Cb 1.10 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.15 1nvv h ARG 576 CO 0.33 0.00 0.00 1.19 -1.07 0.00 0.00 179.97 180.42 1nvv n PHE 577 N -3.49 0.32 0.84 3.04 3.01 -1.26 -3.49 117.46 116.43 1nvv n PHE 577 Ca -0.03 -0.14 0.09 0.00 1.01 0.00 0.00 57.45 58.39 1nvv n PHE 577 Cb 0.11 -0.06 -0.03 0.00 -0.01 0.00 0.00 39.48 39.49 1nvv n PHE 577 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1nvv n ALA 578 N 0.06 3.62 -1.73 4.37 0.00 -0.92 -4.97 120.51 120.94 1nvv n ALA 578 Ca 0.06 -0.56 -0.42 0.00 0.00 0.00 0.00 53.44 52.51 1nvv n ALA 578 Cb 0.25 -0.66 -0.02 0.00 0.00 0.00 0.00 19.45 19.02 1nvv n ALA 578 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1nvv n GLU 579 N -0.45 2.58 -1.28 0.00 -0.58 -1.23 -4.78 120.64 114.91 1nvv n GLU 579 Ca 0.07 0.92 -0.32 0.00 -0.42 0.00 0.00 57.16 57.41 1nvv n GLU 579 Cb 0.36 -2.68 0.10 0.00 -0.57 0.00 0.00 31.44 28.65 1nvv n GLU 579 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 1nvv s PRO 580 N -0.38 2.09 0.42 3.49 0.04 -1.26 -4.98 135.00 134.42 1nvv s PRO 580 Ca 0.66 1.39 -0.24 0.00 0.04 0.00 0.00 61.00 62.84 1nvv s PRO 580 Cb -0.53 -1.86 -0.08 0.00 0.04 0.00 0.00 34.50 32.07 1nvv s PRO 580 CO 0.48 -1.80 1.16 -0.51 0.04 0.00 0.00 177.00 176.37 1nvv s ASP 581 N -2.85 6.43 0.21 6.66 1.01 -1.26 -5.00 116.67 121.87 1nvv s ASP 581 Ca 0.66 2.32 -0.16 0.00 0.71 0.00 0.00 52.55 56.07 1nvv s ASP 581 Cb -0.21 -2.61 0.02 0.00 1.01 0.00 0.00 42.92 41.13 1nvv s ASP 581 CO 0.51 -0.74 0.52 -0.94 0.21 0.00 0.00 175.17 174.73 1nvv s SER 582 N -1.22 -0.21 0.00 0.27 1.04 -1.26 -5.01 113.70 107.31 1nvv s SER 582 Ca 0.59 -0.60 0.07 0.00 0.48 0.00 0.00 55.95 56.49 1nvv s SER 582 Cb -0.30 0.58 0.31 0.00 0.10 0.00 0.00 66.02 66.72 1nvv s SER 582 CO 0.37 -1.08 1.20 -0.62 0.98 0.00 0.00 173.24 174.08 1nvv n GLU 583 N -0.35 0.02 0.04 4.02 -0.58 -1.26 -2.02 120.64 120.51 1nvv n GLU 583 Ca -0.08 0.35 0.11 0.00 -0.42 0.00 0.00 57.16 57.12 1nvv n GLU 583 Cb 0.62 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.99 1nvv n GLU 583 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1nvv n GLU 584 N -1.46 0.37 0.00 3.49 1.02 -1.26 -4.54 120.64 118.27 1nvv n GLU 584 Ca 0.02 -0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.16 1nvv n GLU 584 Cb 0.08 -1.62 0.00 0.00 -0.02 0.00 0.00 31.44 29.87 1nvv n GLU 584 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1nvv n ASN 585 N -2.10 0.20 -3.63 1.62 2.04 -0.85 -4.90 115.26 107.63 1nvv n ASN 585 Ca 0.01 -0.53 -0.13 0.00 -0.44 0.00 0.00 54.58 53.49 1nvv n ASN 585 Cb 0.47 0.40 -0.07 0.00 -2.53 0.00 0.00 39.78 38.05 1nvv n ASN 585 CO 0.00 0.00 0.00 -0.51 -0.44 0.00 0.00 177.26 176.31 1nvv s ILE 586 N -0.40 0.00 -0.05 1.53 2.07 -0.89 -1.48 121.20 121.98 1nvv s ILE 586 Ca 0.00 0.00 0.02 0.00 -1.41 0.00 0.00 60.65 59.26 1nvv s ILE 586 Cb 0.00 -1.00 0.01 0.00 0.13 0.00 0.00 42.46 41.60 1nvv s ILE 586 CO 0.00 0.00 -0.09 -0.63 -1.91 0.00 0.00 174.94 172.31 1nvv s ILE 587 N 0.43 0.84 0.22 2.00 1.01 0.51 -4.39 121.20 121.82 1nvv s ILE 587 Ca -0.00 -0.33 0.05 0.00 0.00 0.00 0.00 60.65 60.37 1nvv s ILE 587 Cb -0.05 -0.79 -0.03 0.00 0.01 0.00 0.00 42.46 41.60 1nvv s ILE 587 CO -0.01 0.28 0.29 -0.36 0.00 0.00 0.00 174.94 175.15 1nvv s PHE 588 N 0.63 3.36 0.29 3.97 0.08 -1.26 0.09 117.98 125.15 1nvv s PHE 588 Ca -0.11 -0.01 -0.27 0.00 0.12 0.00 0.00 56.93 56.66 1nvv s PHE 588 Cb -0.14 -1.55 -0.10 0.00 -0.57 0.00 0.00 43.02 40.67 1nvv s PHE 588 CO 0.02 0.48 0.93 -2.00 -0.10 0.00 0.00 175.22 174.54 1nvv s GLU 589 N -3.73 4.63 -1.37 0.44 2.56 0.83 -4.62 118.70 117.44 1nvv s GLU 589 Ca 0.34 1.34 -0.16 0.00 0.00 0.00 0.00 54.97 56.48 1nvv s GLU 589 Cb -0.09 -2.92 0.06 0.00 2.00 0.00 0.00 34.13 33.17 1nvv s GLU 589 CO 0.28 0.35 1.97 0.39 -0.56 0.00 0.00 175.26 177.68 1nvv n GLU 590 N 0.80 3.04 0.00 4.30 4.71 -1.26 -4.75 120.64 127.48 1nvv n GLU 590 Ca 0.01 -2.97 0.00 0.00 -0.01 0.00 0.00 57.16 54.19 1nvv n GLU 590 Cb 0.49 -3.39 0.00 0.00 -1.01 0.00 0.00 31.44 27.54 1nvv n GLU 590 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1nvv n GLY 597 N 4.73 0.65 3.75 0.62 0.00 -1.26 -5.08 105.19 108.59 1nvv n GLY 597 Ca 0.50 -0.66 -0.33 0.00 0.00 0.00 0.00 46.02 45.53 1nvv n GLY 597 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1nvv s ILE 598 N 0.00 2.87 0.54 -0.61 -4.36 -1.26 -4.99 121.20 113.40 1nvv s ILE 598 Ca 0.00 0.40 -0.21 0.00 -0.26 0.00 0.00 60.65 60.58 1nvv s ILE 598 Cb 0.00 -2.91 -0.05 0.00 1.25 0.00 0.00 42.46 40.76 1nvv s ILE 598 CO 0.00 -0.26 1.27 -2.84 0.24 0.00 0.00 174.94 173.35 1nvv s PRO 599 N -4.11 3.23 -0.16 0.37 0.02 -1.26 -5.01 135.00 128.07 1nvv s PRO 599 Ca 0.69 2.01 0.01 0.00 0.02 0.00 0.00 61.00 63.73 1nvv s PRO 599 Cb -0.23 -2.20 0.02 0.00 0.02 0.00 0.00 34.50 32.11 1nvv s PRO 599 CO 0.44 -1.05 -0.19 0.42 -0.33 0.00 0.00 177.00 176.30 1nvv s ILE 600 N -1.44 1.93 -0.08 2.83 1.01 -1.26 -5.05 121.20 119.14 1nvv s ILE 600 Ca 0.71 -0.86 -0.30 0.00 0.00 0.00 0.00 60.65 60.20 1nvv s ILE 600 Cb -0.35 -1.75 -0.02 0.00 0.01 0.00 0.00 42.46 40.35 1nvv s ILE 600 CO 0.40 0.52 1.09 -0.63 0.00 0.00 0.00 174.94 176.33 1nvv s ILE 601 N 1.25 4.54 -0.18 2.92 1.09 -1.26 -0.12 121.20 129.43 1nvv s ILE 601 Ca 0.03 1.83 -0.18 0.00 -1.10 0.00 0.00 60.65 61.22 1nvv s ILE 601 Cb -0.13 -4.18 -0.21 0.00 -1.06 0.00 0.00 42.46 36.88 1nvv s ILE 601 CO -0.10 0.01 0.28 0.50 -0.10 0.00 0.00 174.94 175.53 1nvv h LYS 602 N 7.23 0.07 -3.37 2.79 3.64 -0.61 -3.38 116.57 122.94 1nvv h LYS 602 Ca -0.33 -0.12 -0.03 0.00 -1.27 0.00 0.00 60.65 58.90 1nvv h LYS 602 Cb 1.16 0.04 -0.11 0.00 -0.41 0.00 0.00 32.23 32.92 1nvv h LYS 602 CO 0.86 1.06 -0.01 0.00 -2.27 0.00 0.00 179.45 179.09 1nvv s ALA 603 N -2.41 -0.86 0.00 5.00 0.00 -0.88 -1.39 121.76 121.22 1nvv s ALA 603 Ca -0.27 -0.25 0.00 0.00 0.00 0.00 0.00 51.96 51.44 1nvv s ALA 603 Cb 0.06 0.84 0.00 0.00 0.00 0.00 0.00 23.12 24.01 1nvv s ALA 603 CO 0.64 -0.77 0.00 0.41 0.00 0.00 0.00 175.76 176.04 1nvv n GLY 604 N -0.32 0.59 3.84 0.00 0.00 -0.90 -0.36 105.19 108.03 1nvv n GLY 604 Ca -0.11 -0.83 -0.31 0.00 0.00 0.00 0.00 46.02 44.78 1nvv n GLY 604 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1nvv s THR 605 N -2.00 3.77 0.25 2.61 -4.23 -0.55 -0.37 115.64 115.12 1nvv s THR 605 Ca 0.00 0.58 -0.05 0.00 -1.18 0.00 0.00 61.69 61.03 1nvv s THR 605 Cb 0.00 -3.41 0.23 0.00 1.34 0.00 0.00 72.50 70.66 1nvv s THR 605 CO 0.00 -0.75 1.87 0.58 -0.54 0.00 0.00 174.62 175.78 1nvv h VAL 606 N -0.75 1.10 -0.33 2.29 2.07 -1.95 -0.49 116.25 118.20 1nvv h VAL 606 Ca -0.45 -0.37 0.03 0.00 0.82 0.00 0.00 66.70 66.73 1nvv h VAL 606 Cb 1.23 -0.08 -0.03 0.00 -1.52 0.00 0.00 31.29 30.89 1nvv h VAL 606 CO 0.60 0.20 0.14 0.40 0.02 0.00 0.00 177.57 178.93 1nvv h ILE 607 N 1.08 0.95 -0.24 4.57 1.08 -1.96 -1.36 117.51 121.64 1nvv h ILE 607 Ca 0.38 -0.10 -0.11 0.00 -0.39 0.00 0.00 64.86 64.63 1nvv h ILE 607 Cb 0.10 0.63 -0.01 0.00 -3.07 0.00 0.00 36.82 34.46 1nvv h ILE 607 CO -0.15 0.06 -0.32 0.11 -0.69 0.00 0.00 178.15 177.16 1nvv h LYS 608 N 0.30 0.50 -0.68 2.37 6.56 -1.68 -1.86 116.57 122.09 1nvv h LYS 608 Ca 0.14 -0.22 -0.01 0.00 -1.06 0.00 0.00 60.65 59.50 1nvv h LYS 608 Cb 0.08 -0.02 -0.03 0.00 -0.57 0.00 0.00 32.23 31.69 1nvv h LYS 608 CO -0.12 0.76 0.38 -0.07 -2.06 0.00 0.00 179.45 178.35 1nvv h LEU 609 N 0.43 0.84 -0.66 2.94 4.07 -0.78 -1.22 115.31 120.92 1nvv h LEU 609 Ca 0.05 -0.08 -0.14 0.00 0.08 0.00 0.00 57.88 57.79 1nvv h LEU 609 Cb 0.77 -0.21 -0.01 0.00 1.08 0.00 0.00 40.66 42.29 1nvv h LEU 609 CO 0.06 0.68 -0.55 0.40 -1.08 0.00 0.00 178.44 177.94 1nvv h ILE 610 N 0.93 1.36 -0.33 1.22 2.04 -1.03 0.58 117.51 122.28 1nvv h ILE 610 Ca 0.24 -1.85 -0.02 0.00 1.00 0.00 0.00 64.86 64.23 1nvv h ILE 610 Cb 0.02 1.88 -0.01 0.00 -0.74 0.00 0.00 36.82 37.96 1nvv h ILE 610 CO -0.04 0.56 0.14 -0.08 0.00 0.00 0.00 178.15 178.72 1nvv h GLU 611 N 0.25 0.49 -0.11 2.37 4.81 -1.02 -2.56 114.58 118.82 1nvv h GLU 611 Ca 0.00 -0.09 -0.12 0.00 -0.13 0.00 0.00 59.36 59.03 1nvv h GLU 611 Cb 1.05 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.34 1nvv h GLU 611 CO 0.09 0.48 -0.46 0.00 -0.73 0.00 0.00 179.01 178.39 1nvv h ARG 612 N 0.39 0.26 -0.07 1.92 2.47 -1.01 -0.57 114.38 117.78 1nvv h ARG 612 Ca 0.11 -0.14 0.02 0.00 -1.26 0.00 0.00 59.98 58.71 1nvv h ARG 612 Cb 0.17 0.01 -0.00 0.00 -1.65 0.00 0.00 29.97 28.49 1nvv h ARG 612 CO -0.01 0.68 0.06 1.25 0.56 0.00 0.00 179.97 182.51 1nvv h LEU 613 N 0.21 0.00 -4.30 3.04 5.85 -0.58 -2.66 115.31 116.87 1nvv h LEU 613 Ca 0.01 0.00 -0.34 0.00 0.84 0.00 0.00 57.88 58.39 1nvv h LEU 613 Cb 0.90 0.00 -0.38 0.00 0.37 0.00 0.00 40.66 41.56 1nvv h LEU 613 CO 0.07 0.00 -0.93 0.35 -0.34 0.00 0.00 178.44 177.59 1nvv n THR 614 N -4.03 1.76 -1.90 1.05 -2.24 -0.90 -4.86 114.28 103.16 1nvv n THR 614 Ca -0.01 -3.31 -0.37 0.00 -2.27 0.00 0.00 64.05 58.08 1nvv n THR 614 Cb 0.16 0.13 0.04 0.00 -2.10 0.00 0.00 70.33 68.57 1nvv n THR 614 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1nvv s TYR 615 N -3.33 2.33 -0.25 4.78 5.04 -0.27 -4.58 117.35 121.07 1nvv s TYR 615 Ca 0.39 1.46 0.23 0.00 -2.44 0.00 0.00 57.07 56.70 1nvv s TYR 615 Cb 0.37 -3.64 0.03 0.00 0.35 0.00 0.00 41.96 39.07 1nvv s TYR 615 CO -0.02 -2.55 1.09 1.12 -1.34 0.00 0.00 175.55 173.85 1nvv h HIS 616 N 1.16 0.00 0.02 4.97 2.07 -1.90 -3.41 115.15 118.06 1nvv h HIS 616 Ca -0.51 0.00 -0.06 0.00 -2.85 0.00 0.00 60.37 56.95 1nvv h HIS 616 Cb 1.30 0.00 0.01 0.00 2.57 0.00 0.00 27.41 31.29 1nvv h HIS 616 CO 0.46 0.00 -0.26 0.52 -3.07 0.00 0.00 177.93 175.59 1nvv h MET 617 N 0.00 0.14 -4.95 5.12 2.86 -1.93 -3.48 114.93 112.69 1nvv h MET 617 Ca -0.00 -0.18 -0.46 0.00 -2.06 0.00 0.00 59.70 57.00 1nvv h MET 617 Cb 1.00 0.06 -0.14 0.00 0.06 0.00 0.00 31.60 32.58 1nvv h MET 617 CO 0.00 0.98 -0.55 1.52 1.06 0.00 0.00 176.91 179.92 1nvv s TYR 618 N -2.81 1.68 0.19 -0.22 -0.85 -1.26 -5.17 117.35 108.91 1nvv s TYR 618 Ca -0.16 -1.33 0.07 0.00 -0.52 0.00 0.00 57.07 55.13 1nvv s TYR 618 Cb -0.00 -0.96 -0.04 0.00 0.38 0.00 0.00 41.96 41.34 1nvv s TYR 618 CO 0.74 -0.44 0.02 0.00 -1.52 0.00 0.00 175.55 174.35 1nvv s ALA 619 N -3.47 3.26 -0.41 9.51 0.00 -1.26 -4.77 121.76 124.61 1nvv s ALA 619 Ca 0.33 -1.38 0.01 0.00 0.00 0.00 0.00 51.96 50.92 1nvv s ALA 619 Cb 0.05 -1.03 0.24 0.00 0.00 0.00 0.00 23.12 22.38 1nvv s ALA 619 CO 0.17 0.45 1.03 -3.47 0.00 0.00 0.00 175.76 173.94 1nvv n ASP 620 N -0.28 -2.19 0.18 0.00 2.03 -1.26 -5.00 116.55 110.03 1nvv n ASP 620 Ca -0.09 -2.39 0.11 0.00 0.52 0.00 0.00 54.79 52.94 1nvv n ASP 620 Cb 0.56 1.27 0.60 0.00 -0.72 0.00 0.00 41.12 42.82 1nvv n ASP 620 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1nvv h PRO 621 N 3.82 0.00 -0.12 -0.67 0.11 -1.99 0.94 132.00 134.10 1nvv h PRO 621 Ca -0.14 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.87 1nvv h PRO 621 Cb 1.12 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 1nvv h PRO 621 CO 0.04 0.00 -0.39 -0.97 -0.21 0.00 0.00 178.00 176.47 1nvv h ASN 622 N 0.00 0.26 -0.33 -2.05 -1.24 -2.01 -3.12 115.58 107.09 1nvv h ASN 622 Ca 0.00 -0.11 -0.06 0.00 0.71 0.00 0.00 56.30 56.84 1nvv h ASN 622 Cb 0.13 -0.07 -0.01 0.00 0.73 0.00 0.00 38.32 39.10 1nvv h ASN 622 CO 0.00 0.63 -0.05 0.15 -1.29 0.00 0.00 177.43 176.88 1nvv h PHE 623 N 0.21 0.68 -0.28 0.67 3.57 -1.23 -2.58 116.94 117.99 1nvv h PHE 623 Ca 0.02 -0.14 0.02 0.00 3.53 0.00 0.00 57.97 61.41 1nvv h PHE 623 Cb 0.79 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 39.34 1nvv h PHE 623 CO 0.01 0.76 0.13 0.28 -2.23 0.00 0.00 178.31 177.26 1nvv h VAL 624 N 0.40 0.97 0.09 1.41 2.07 -1.60 -0.22 116.25 119.37 1nvv h VAL 624 Ca 0.09 -0.09 -0.00 0.00 0.82 0.00 0.00 66.70 67.51 1nvv h VAL 624 Cb 0.52 0.68 0.00 0.00 -1.52 0.00 0.00 31.29 30.98 1nvv h VAL 624 CO 0.03 0.05 -0.04 -0.09 0.02 0.00 0.00 177.57 177.53 1nvv h ARG 625 N 0.27 -0.12 -0.38 1.57 2.43 -1.56 0.11 114.38 116.70 1nvv h ARG 625 Ca 0.12 0.01 0.08 0.00 -0.81 0.00 0.00 59.98 59.38 1nvv h ARG 625 Cb 0.05 0.03 -0.08 0.00 -0.42 0.00 0.00 29.97 29.55 1nvv h ARG 625 CO -0.09 0.03 -0.15 1.15 -1.51 0.00 0.00 179.97 179.40 1nvv h THR 626 N -0.25 0.51 0.31 0.20 2.02 -1.30 -0.22 112.91 114.18 1nvv h THR 626 Ca -0.01 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.15 1nvv h THR 626 Cb 0.21 0.51 0.00 0.00 -1.74 0.00 0.00 68.15 67.13 1nvv h THR 626 CO 0.02 0.00 -0.15 0.15 0.37 0.00 0.00 175.52 175.91 1nvv h PHE 627 N -0.07 -0.39 0.00 3.16 3.04 -0.90 -1.76 116.94 120.02 1nvv h PHE 627 Ca 0.19 -0.01 -0.00 0.00 3.98 0.00 0.00 57.97 62.13 1nvv h PHE 627 Cb 0.36 0.13 -0.00 0.00 2.56 0.00 0.00 35.95 39.00 1nvv h PHE 627 CO -0.39 -0.14 -0.02 -0.07 -2.02 0.00 0.00 178.31 175.68 1nvv h LEU 628 N -0.57 0.00 0.02 0.59 3.38 -0.75 0.15 115.31 118.13 1nvv h LEU 628 Ca -0.04 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.68 1nvv h LEU 628 Cb 0.42 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.14 1nvv h LEU 628 CO 0.07 0.02 -1.27 0.74 0.09 0.00 0.00 178.44 178.08 1nvv h THR 629 N 0.00 1.39 -0.00 0.22 2.02 -0.84 -3.41 112.91 112.29 1nvv h THR 629 Ca -0.00 -3.14 0.00 0.00 0.77 0.00 0.00 66.41 64.04 1nvv h THR 629 Cb 0.04 2.71 0.00 0.00 -1.74 0.00 0.00 68.15 69.17 1nvv h THR 629 CO 0.00 0.81 -0.07 0.35 0.37 0.00 0.00 175.52 176.99 1nvv n THR 630 N -3.27 0.00 0.21 3.16 -2.24 -0.68 -4.79 114.28 106.67 1nvv n THR 630 Ca -0.07 -0.47 0.15 0.00 -2.27 0.00 0.00 64.05 61.40 1nvv n THR 630 Cb 0.99 1.01 0.79 0.00 -2.10 0.00 0.00 70.33 71.02 1nvv n THR 630 CO 0.00 0.00 0.00 0.10 -0.57 0.00 0.00 175.07 174.60 1nvv h TYR 631 N 0.11 0.00 0.00 4.78 -0.00 -0.95 -3.17 116.97 117.74 1nvv h TYR 631 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.73 1nvv h TYR 631 Cb 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 36.79 1nvv h TYR 631 CO 0.00 0.00 0.13 0.00 -0.00 0.00 0.00 178.16 178.29 1nvv h ARG 632 N 0.00 0.00 0.00 0.10 3.08 -1.85 0.30 114.38 116.01 1nvv h ARG 632 Ca 0.08 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 60.03 1nvv h ARG 632 Cb 0.37 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.41 1nvv h ARG 632 CO -0.00 0.00 -0.48 0.66 -1.07 0.00 0.00 179.97 179.08 1nvv h SER 633 N 0.00 0.00 0.00 7.04 4.64 -1.96 -3.36 113.55 119.91 1nvv h SER 633 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1nvv h SER 633 Cb 0.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 1nvv h SER 633 CO 0.00 0.43 0.00 2.22 -0.87 0.00 0.00 176.83 178.61 1nvv n PHE 634 N -3.19 0.00 -3.64 4.77 1.16 -0.36 -5.03 117.46 111.17 1nvv n PHE 634 Ca 0.02 -0.17 -0.08 0.00 -1.87 0.00 0.00 57.45 55.34 1nvv n PHE 634 Cb 0.71 -0.02 -0.07 0.00 -1.61 0.00 0.00 39.48 38.49 1nvv n PHE 634 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1nvv s LYS 636 N 1.37 4.09 0.16 0.00 1.02 -1.26 -3.89 119.74 121.23 1nvv s LYS 636 Ca -0.08 1.24 -0.21 0.00 0.02 0.00 0.00 55.97 56.94 1nvv s LYS 636 Cb -0.05 -2.20 0.05 0.00 -0.52 0.00 0.00 37.83 35.12 1nvv s LYS 636 CO -0.16 -0.17 1.63 -1.35 -0.92 0.00 0.00 175.35 174.39 1nvv h PRO 637 N 1.88 -0.19 -0.81 -1.68 0.11 -1.95 0.29 132.00 129.64 1nvv h PRO 637 Ca -0.49 0.01 0.11 0.00 0.11 0.00 0.00 66.00 65.74 1nvv h PRO 637 Cb 1.20 0.04 -0.08 0.00 0.11 0.00 0.00 31.00 32.27 1nvv h PRO 637 CO 0.61 -0.13 0.44 1.96 -0.21 0.00 0.00 178.00 180.66 1nvv h GLN 638 N -0.20 0.68 -0.35 1.05 1.08 -1.99 -0.92 115.11 114.45 1nvv h GLN 638 Ca 0.16 -0.04 -0.13 0.00 -1.45 0.00 0.00 58.65 57.19 1nvv h GLN 638 Cb 0.44 -0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 27.71 1nvv h GLN 638 CO -0.42 0.45 -0.30 1.49 -0.95 0.00 0.00 178.83 179.09 1nvv h GLU 639 N 0.70 0.75 -0.74 1.46 4.57 -1.74 -2.20 114.58 117.38 1nvv h GLU 639 Ca 0.41 -0.34 -0.02 0.00 -1.18 0.00 0.00 59.36 58.22 1nvv h GLU 639 Cb 0.46 -0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 29.00 1nvv h GLU 639 CO -0.29 0.96 0.37 1.25 -1.18 0.00 0.00 179.01 180.12 1nvv h LEU 640 N 0.64 0.96 -0.59 1.64 6.46 0.24 -0.39 115.31 124.27 1nvv h LEU 640 Ca 0.07 -0.13 -0.06 0.00 -0.12 0.00 0.00 57.88 57.64 1nvv h LEU 640 Cb 0.83 -0.25 -0.02 0.00 -0.73 0.00 0.00 40.66 40.49 1nvv h LEU 640 CO 0.07 0.82 0.12 0.25 -0.62 0.00 0.00 178.44 179.08 1nvv h LEU 641 N 1.04 0.92 -0.54 2.25 5.85 -1.07 -1.37 115.31 122.38 1nvv h LEU 641 Ca 0.26 -0.25 -0.00 0.00 0.84 0.00 0.00 57.88 58.73 1nvv h LEU 641 Cb 0.10 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.86 1nvv h LEU 641 CO -0.03 0.93 0.32 0.28 -0.34 0.00 0.00 178.44 179.60 1nvv h SER 642 N 0.87 0.66 -0.59 1.25 0.02 -0.90 -1.83 113.55 113.03 1nvv h SER 642 Ca 0.18 -0.06 -0.09 0.00 -0.84 0.00 0.00 61.79 60.98 1nvv h SER 642 Cb 0.38 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.73 1nvv h SER 642 CO 0.01 0.53 0.04 -0.07 -1.14 0.00 0.00 176.83 176.20 1nvv h LEU 643 N 0.73 1.00 -0.52 5.07 3.38 -0.78 -1.12 115.31 123.06 1nvv h LEU 643 Ca 0.19 -0.26 -0.16 0.00 0.09 0.00 0.00 57.88 57.74 1nvv h LEU 643 Cb -0.00 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 1nvv h LEU 643 CO -0.04 1.03 -0.70 0.16 0.09 0.00 0.00 178.44 178.98 1nvv h ILE 644 N 0.95 1.42 -0.53 1.22 3.07 -1.03 -0.23 117.51 122.39 1nvv h ILE 644 Ca 0.18 -2.20 -0.08 0.00 1.55 0.00 0.00 64.86 64.31 1nvv h ILE 644 Cb 0.49 2.16 -0.02 0.00 -0.27 0.00 0.00 36.82 39.18 1nvv h ILE 644 CO 0.02 0.65 0.02 0.40 -1.05 0.00 0.00 178.15 178.19 1nvv h ILE 645 N 0.15 1.26 -0.67 0.16 2.04 -1.24 0.85 117.51 120.06 1nvv h ILE 645 Ca -0.02 -1.07 -0.04 0.00 1.00 0.00 0.00 64.86 64.73 1nvv h ILE 645 Cb 1.24 0.91 -0.03 0.00 -0.74 0.00 0.00 36.82 38.21 1nvv h ILE 645 CO 0.11 0.38 0.26 -0.08 0.00 0.00 0.00 178.15 178.82 1nvv h GLU 646 N 0.79 0.98 -0.64 2.37 4.81 -0.99 -2.20 114.58 119.70 1nvv h GLU 646 Ca 0.15 -0.16 -0.05 0.00 -0.13 0.00 0.00 59.36 59.17 1nvv h GLU 646 Cb 0.50 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.69 1nvv h GLU 646 CO 0.02 0.80 0.19 -0.09 -0.73 0.00 0.00 179.01 179.20 1nvv h ARG 647 N 0.96 1.00 -0.32 1.92 9.65 -0.49 -2.95 114.38 124.16 1nvv h ARG 647 Ca 0.22 -0.22 -0.04 0.00 -1.10 0.00 0.00 59.98 58.84 1nvv h ARG 647 Cb 0.19 -0.14 -0.02 0.00 -1.39 0.00 0.00 29.97 28.61 1nvv h ARG 647 CO -0.02 0.89 0.01 0.35 2.80 0.00 0.00 179.97 184.00 1nvv h PHE 648 N 0.93 0.49 -0.90 2.20 3.57 -0.30 -3.37 116.94 119.56 1nvv h PHE 648 Ca 0.20 -0.04 -0.70 0.00 3.53 0.00 0.00 57.97 60.96 1nvv h PHE 648 Cb 0.31 -0.15 -0.09 0.00 2.79 0.00 0.00 35.95 38.82 1nvv h PHE 648 CO 0.02 0.49 2.30 0.39 -2.23 0.00 0.00 178.31 179.27 1nvv n GLU 649 N -4.30 3.18 -3.22 1.11 -0.58 -0.88 -4.89 120.64 111.06 1nvv n GLU 649 Ca 0.01 -3.22 -0.39 0.00 -0.42 0.00 0.00 57.16 53.14 1nvv n GLU 649 Cb 0.23 -3.31 -0.07 0.00 -0.57 0.00 0.00 31.44 27.72 1nvv n GLU 649 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1nvv s ILE 650 N 3.15 5.08 0.17 -3.67 1.01 -1.26 -5.01 121.20 120.68 1nvv s ILE 650 Ca 0.49 0.98 -0.30 0.00 0.00 0.00 0.00 60.65 61.82 1nvv s ILE 650 Cb 0.06 -3.86 -0.08 0.00 0.01 0.00 0.00 42.46 38.59 1nvv s ILE 650 CO 0.02 0.14 1.23 -2.16 0.00 0.00 0.00 174.94 174.17 1nvv s PRO 651 N 1.84 4.45 0.41 2.79 0.04 -1.26 -5.02 135.00 138.26 1nvv s PRO 651 Ca 0.24 1.92 -0.22 0.00 0.04 0.00 0.00 61.00 62.98 1nvv s PRO 651 Cb -0.15 -3.24 -0.11 0.00 0.04 0.00 0.00 34.50 31.04 1nvv s PRO 651 CO 0.09 -0.16 0.95 -1.21 0.04 0.00 0.00 177.00 176.72 1nvv s GLU 652 N -0.04 4.29 0.72 4.56 2.02 -1.26 -4.88 118.70 124.12 1nvv s GLU 652 Ca 0.55 1.17 -0.13 0.00 0.02 0.00 0.00 54.97 56.57 1nvv s GLU 652 Cb -0.33 -2.30 0.03 0.00 0.10 0.00 0.00 34.13 31.63 1nvv s GLU 652 CO 0.36 0.02 1.12 -1.25 0.02 0.00 0.00 175.26 175.53 1nvv s PRO 653 N -2.97 2.40 0.50 0.39 0.04 -1.26 -5.03 135.00 129.07 1nvv s PRO 653 Ca 0.60 1.40 -0.19 0.00 0.04 0.00 0.00 61.00 62.85 1nvv s PRO 653 Cb -0.11 -1.90 -0.08 0.00 0.04 0.00 0.00 34.50 32.45 1nvv s PRO 653 CO 0.15 -1.56 1.01 -1.21 0.04 0.00 0.00 177.00 175.42 1nvv s GLU 654 N -4.33 3.86 0.35 4.56 2.02 -1.26 -4.98 118.70 118.93 1nvv s GLU 654 Ca 0.67 1.17 -0.27 0.00 0.02 0.00 0.00 54.97 56.56 1nvv s GLU 654 Cb -0.21 -2.12 -0.12 0.00 0.10 0.00 0.00 34.13 31.78 1nvv s GLU 654 CO 0.47 -0.35 1.17 -2.30 0.02 0.00 0.00 175.26 174.27 1nvv n PRO 655 N -1.22 1.77 -1.69 0.39 -0.02 -1.26 -4.99 135.00 127.99 1nvv n PRO 655 Ca 0.08 0.62 -0.30 0.00 -2.02 0.00 0.00 63.50 61.89 1nvv n PRO 655 Cb 0.53 -2.16 0.19 0.00 -0.02 0.00 0.00 33.50 32.04 1nvv n PRO 655 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1nvv s THR 656 N -1.13 1.90 0.22 3.45 -4.23 -1.26 -4.75 115.64 109.84 1nvv s THR 656 Ca 0.58 0.00 -0.09 0.00 -1.18 0.00 0.00 61.69 61.00 1nvv s THR 656 Cb -0.59 -2.85 0.18 0.00 1.34 0.00 0.00 72.50 70.57 1nvv s THR 656 CO 0.60 0.00 1.89 -0.08 -0.54 0.00 0.00 174.62 176.49 1nvv h GLU 657 N -1.84 1.04 -0.74 3.99 4.57 -1.99 -0.90 114.58 118.72 1nvv h GLU 657 Ca -0.45 -0.06 -0.04 0.00 -1.18 0.00 0.00 59.36 57.62 1nvv h GLU 657 Cb 1.26 -0.23 -0.03 0.00 -0.16 0.00 0.00 28.75 29.58 1nvv h GLU 657 CO 0.40 0.69 0.29 0.00 -1.18 0.00 0.00 179.01 179.21 1nvv h ALA 658 N 1.30 1.11 -0.17 2.92 0.00 -2.00 -1.44 119.26 120.98 1nvv h ALA 658 Ca 0.30 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1nvv h ALA 658 Cb -0.10 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.39 1nvv h ALA 658 CO -0.07 0.63 0.03 -0.44 0.00 0.00 0.00 179.25 179.40 1nvv h ASP 659 N 1.07 0.26 -0.91 0.00 3.32 -1.75 -2.46 116.42 115.96 1nvv h ASP 659 Ca 0.25 -0.26 0.06 0.00 0.02 0.00 0.00 57.03 57.09 1nvv h ASP 659 Cb 0.22 -0.07 -0.06 0.00 0.22 0.00 0.00 39.33 39.64 1nvv h ASP 659 CO -0.02 0.45 0.58 0.03 -1.72 0.00 0.00 179.24 178.56 1nvv h ARG 660 N 0.06 1.03 -0.77 3.56 3.08 -0.99 0.29 114.38 120.65 1nvv h ARG 660 Ca 0.05 -0.06 -0.04 0.00 0.07 0.00 0.00 59.98 60.00 1nvv h ARG 660 Cb 0.30 -0.23 -0.03 0.00 0.08 0.00 0.00 29.97 30.09 1nvv h ARG 660 CO 0.00 0.68 0.34 0.82 -1.07 0.00 0.00 179.97 180.75 1nvv h ILE 661 N 1.06 1.25 0.19 2.04 2.04 -1.13 -0.33 117.51 122.63 1nvv h ILE 661 Ca 0.39 -0.74 -0.01 0.00 1.00 0.00 0.00 64.86 65.50 1nvv h ILE 661 Cb 0.13 0.31 0.00 0.00 -0.74 0.00 0.00 36.82 36.52 1nvv h ILE 661 CO -0.16 0.31 -0.09 0.00 0.00 0.00 0.00 178.15 178.21 1nvv h ALA 662 N 1.18 -0.25 -1.00 1.87 0.00 -0.88 -2.80 119.26 117.37 1nvv h ALA 662 Ca 0.26 -0.18 0.16 0.00 0.00 0.00 0.00 54.91 55.16 1nvv h ALA 662 Cb 0.16 0.10 -0.10 0.00 0.00 0.00 0.00 17.79 17.95 1nvv h ALA 662 CO -0.03 -0.47 0.61 0.82 0.00 0.00 0.00 179.25 180.18 1nvv h ILE 663 N -0.59 0.79 0.00 0.00 2.04 -0.85 0.17 117.51 119.06 1nvv h ILE 663 Ca -0.03 -0.29 0.00 0.00 1.00 0.00 0.00 64.86 65.54 1nvv h ILE 663 Cb 0.44 -0.14 0.00 0.00 -0.74 0.00 0.00 36.82 36.38 1nvv h ILE 663 CO 0.04 0.16 0.00 -0.08 0.00 0.00 0.00 178.15 178.27 1nvv h GLU 664 N 0.85 0.00 -0.43 2.37 4.81 -0.95 -2.08 114.58 119.15 1nvv h GLU 664 Ca 0.54 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.77 1nvv h GLU 664 Cb 0.73 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.11 1nvv h GLU 664 CO -0.34 0.00 0.00 0.09 -0.73 0.00 0.00 179.01 178.03 1nvv n ASN 665 N -2.39 3.27 0.00 1.04 3.02 0.55 -4.96 115.26 115.79 1nvv n ASN 665 Ca 0.01 -1.94 0.00 0.00 -0.03 0.00 0.00 54.58 52.62 1nvv n ASN 665 Cb 0.20 -0.29 0.00 0.00 -0.61 0.00 0.00 39.78 39.08 1nvv n ASN 665 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1nvv n GLY 666 N 1.12 0.54 3.69 7.41 0.00 -0.78 -5.05 105.19 112.12 1nvv n GLY 666 Ca 0.17 -0.23 -0.27 0.00 0.00 0.00 0.00 46.02 45.70 1nvv n GLY 666 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1nvv s ASP 667 N -2.21 4.17 0.11 1.61 -4.77 -1.05 -5.02 116.67 109.52 1nvv s ASP 667 Ca 0.00 -1.24 -0.31 0.00 -3.30 0.00 0.00 52.55 47.71 1nvv s ASP 667 Cb 0.00 -0.39 -0.07 0.00 -1.09 0.00 0.00 42.92 41.37 1nvv s ASP 667 CO 0.00 -0.53 1.27 -1.58 0.70 0.00 0.00 175.17 175.03 1nvv s GLN 668 N -3.82 4.40 0.39 2.11 0.74 -1.26 -3.68 119.66 118.54 1nvv s GLN 668 Ca 0.37 1.90 -0.24 0.00 0.05 0.00 0.00 55.36 57.44 1nvv s GLN 668 Cb 0.06 -3.29 -0.09 0.00 1.10 0.00 0.00 33.01 30.80 1nvv s GLN 668 CO 0.20 -0.28 1.03 -2.14 -0.55 0.00 0.00 175.29 173.55 1nvv s PRO 669 N 0.77 4.24 0.25 1.67 0.02 -1.26 -4.89 135.00 135.80 1nvv s PRO 669 Ca 0.59 1.48 0.09 0.00 0.02 0.00 0.00 61.00 63.18 1nvv s PRO 669 Cb -0.33 -2.58 0.29 0.00 0.02 0.00 0.00 34.50 31.90 1nvv s PRO 669 CO 0.31 -0.07 1.58 -0.07 -0.33 0.00 0.00 177.00 178.42 1nvv h LEU 670 N 2.61 0.07 -1.50 -5.54 3.38 -1.93 -3.47 115.31 108.94 1nvv h LEU 670 Ca -0.48 -0.05 -0.50 0.00 0.09 0.00 0.00 57.88 56.94 1nvv h LEU 670 Cb 1.21 -0.02 -0.09 0.00 0.09 0.00 0.00 40.66 41.85 1nvv h LEU 670 CO 0.63 0.70 -0.84 -1.20 0.09 0.00 0.00 178.44 177.81 1nvv n SER 671 N -3.79 -2.05 -0.09 -0.43 7.64 -1.26 -4.89 113.62 108.75 1nvv n SER 671 Ca -0.01 -0.95 -0.06 0.00 1.01 0.00 0.00 58.87 58.85 1nvv n SER 671 Cb 0.64 -3.20 0.00 0.00 -1.01 0.00 0.00 64.21 60.64 1nvv n SER 671 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1nvv h ALA 672 N 0.89 0.29 -0.39 -0.43 0.00 -2.00 -1.75 119.26 115.87 1nvv h ALA 672 Ca -0.61 0.09 -0.15 0.00 0.00 0.00 0.00 54.91 54.23 1nvv h ALA 672 Cb 1.38 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.30 1nvv h ALA 672 CO 0.67 -0.40 -0.36 0.93 0.00 0.00 0.00 179.25 180.09 1nvv h GLU 673 N 0.10 0.92 -0.34 0.00 5.08 -1.99 -2.34 114.58 116.00 1nvv h GLU 673 Ca 0.15 -0.47 0.01 0.00 -1.00 0.00 0.00 59.36 58.05 1nvv h GLU 673 Cb 0.20 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 1nvv h GLU 673 CO -0.25 1.12 0.22 1.25 -1.00 0.00 0.00 179.01 180.35 1nvv h LEU 674 N 0.76 0.37 -1.24 1.33 5.85 -1.91 -0.18 115.31 120.29 1nvv h LEU 674 Ca 0.07 -0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.73 1nvv h LEU 674 Cb 0.95 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.87 1nvv h LEU 674 CO 0.09 0.27 0.01 0.11 -0.34 0.00 0.00 178.44 178.58 1nvv h LYS 675 N 0.45 0.53 -0.24 1.25 1.57 -1.27 -1.44 116.57 117.41 1nvv h LYS 675 Ca 0.13 -0.11 -0.14 0.00 -1.87 0.00 0.00 60.65 58.66 1nvv h LYS 675 Cb -0.04 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.19 1nvv h LYS 675 CO -0.04 0.54 -0.40 -0.09 -0.57 0.00 0.00 179.45 178.90 1nvv h ARG 676 N 0.51 0.69 -0.61 3.15 2.43 -1.04 -2.40 114.38 117.11 1nvv h ARG 676 Ca 0.11 -0.43 -0.02 0.00 -0.81 0.00 0.00 59.98 58.84 1nvv h ARG 676 Cb 0.31 0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.88 1nvv h ARG 676 CO 0.01 1.05 0.32 0.35 -1.51 0.00 0.00 179.97 180.18 1nvv h PHE 677 N 0.41 0.83 -0.29 2.20 3.57 -0.56 0.26 116.94 123.37 1nvv h PHE 677 Ca 0.02 -0.02 -0.17 0.00 3.53 0.00 0.00 57.97 61.33 1nvv h PHE 677 Cb 1.00 -0.27 -0.00 0.00 2.79 0.00 0.00 35.95 39.47 1nvv h PHE 677 CO 0.08 0.59 -0.48 0.00 -2.23 0.00 0.00 178.31 176.27 1nvv h ARG 678 N 0.85 0.79 -0.01 1.11 3.08 -1.22 -0.99 114.38 118.01 1nvv h ARG 678 Ca 0.22 -0.46 -0.25 0.00 0.07 0.00 0.00 59.98 59.55 1nvv h ARG 678 Cb 0.05 0.04 0.02 0.00 0.08 0.00 0.00 29.97 30.16 1nvv h ARG 678 CO -0.03 1.10 -0.98 -0.22 -1.07 0.00 0.00 179.97 178.77 1nvv h LYS 679 N 0.63 0.67 -0.02 0.04 3.64 -0.95 -0.45 116.57 120.13 1nvv h LYS 679 Ca 0.03 -0.72 0.00 0.00 -1.27 0.00 0.00 60.65 58.69 1nvv h LYS 679 Cb 1.06 0.20 0.00 0.00 -0.41 0.00 0.00 32.23 33.08 1nvv h LYS 679 CO 0.11 1.30 -0.41 0.39 -2.27 0.00 0.00 179.45 178.56 1nvv n GLU 680 N -3.91 1.39 0.09 1.90 1.02 0.88 -4.50 120.64 117.51 1nvv n GLU 680 Ca -0.11 -1.03 0.00 0.00 -0.02 0.00 0.00 57.16 56.00 1nvv n GLU 680 Cb 0.85 -1.43 0.00 0.00 -0.02 0.00 0.00 31.44 30.84 1nvv n GLU 680 CO 0.00 0.00 0.00 0.98 1.18 0.00 0.00 177.13 179.29 1nvv n TYR 681 N 0.06 -1.14 0.18 -0.32 4.19 -0.44 -4.83 117.16 114.86 1nvv n TYR 681 Ca 0.09 0.20 -0.15 0.00 3.31 0.00 0.00 57.90 61.36 1nvv n TYR 681 Cb 0.45 0.28 -0.08 0.00 0.49 0.00 0.00 39.34 40.48 1nvv n TYR 681 CO 0.00 0.00 0.00 0.82 0.91 0.00 0.00 176.86 178.59 1nvv h ILE 682 N 0.00 0.72 0.27 2.97 2.04 -1.41 -2.07 117.51 120.03 1nvv h ILE 682 Ca 0.00 -0.06 -0.01 0.00 1.00 0.00 0.00 64.86 65.79 1nvv h ILE 682 Cb 0.05 0.75 0.00 0.00 -0.74 0.00 0.00 36.82 36.89 1nvv h ILE 682 CO 0.00 0.01 -0.13 -0.61 0.00 0.00 0.00 178.15 177.42 1nvv h GLN 683 N -0.43 -0.35 -0.36 2.37 4.15 -1.33 0.11 115.11 119.28 1nvv h GLN 683 Ca -0.04 0.02 -0.05 0.00 0.77 0.00 0.00 58.65 59.36 1nvv h GLN 683 Cb 0.32 0.08 -0.02 0.00 0.21 0.00 0.00 27.48 28.08 1nvv h GLN 683 CO 0.07 -0.23 0.02 -1.00 -1.93 0.00 0.00 178.83 175.75 1nvv h PRO 684 N -0.37 0.55 -0.28 -2.39 0.13 -1.79 0.03 132.00 127.89 1nvv h PRO 684 Ca -0.04 -0.11 -0.11 0.00 -0.87 0.00 0.00 66.00 64.87 1nvv h PRO 684 Cb 0.28 -0.08 -0.00 0.00 0.13 0.00 0.00 31.00 31.32 1nvv h PRO 684 CO 0.06 0.56 -0.27 0.28 -0.23 0.00 0.00 178.00 178.40 1nvv h VAL 685 N 0.53 1.30 -0.40 1.56 2.07 -1.10 -1.82 116.25 118.40 1nvv h VAL 685 Ca 0.12 -1.43 -0.12 0.00 0.82 0.00 0.00 66.70 66.08 1nvv h VAL 685 Cb 0.31 1.59 -0.01 0.00 -1.52 0.00 0.00 31.29 31.66 1nvv h VAL 685 CO 0.01 0.46 -0.25 1.56 0.02 0.00 0.00 177.57 179.37 1nvv h GLN 686 N 0.42 0.82 -0.64 1.57 4.20 -0.53 -0.93 115.11 120.01 1nvv h GLN 686 Ca 0.05 -0.35 -0.07 0.00 0.06 0.00 0.00 58.65 58.34 1nvv h GLN 686 Cb 0.83 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.56 1nvv h GLN 686 CO 0.07 0.98 0.14 -0.07 -0.67 0.00 0.00 178.83 179.27 1nvv h LEU 687 N 0.71 1.00 -1.12 1.46 3.38 -0.99 -0.96 115.31 118.79 1nvv h LEU 687 Ca 0.09 -0.24 -0.09 0.00 0.09 0.00 0.00 57.88 57.73 1nvv h LEU 687 Cb 0.78 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 1nvv h LEU 687 CO 0.06 0.98 -0.37 0.03 0.09 0.00 0.00 178.44 179.24 1nvv h ARG 688 N 0.97 0.13 -0.27 1.13 3.08 -1.08 0.18 114.38 118.50 1nvv h ARG 688 Ca 0.20 -0.05 -0.05 0.00 0.07 0.00 0.00 59.98 60.14 1nvv h ARG 688 Cb 0.39 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.43 1nvv h ARG 688 CO 0.01 0.49 -0.04 0.28 -1.07 0.00 0.00 179.97 179.64 1nvv h VAL 689 N 0.11 1.27 -0.48 2.04 2.07 -0.71 -1.91 116.25 118.64 1nvv h VAL 689 Ca 0.01 -1.01 -0.04 0.00 0.82 0.00 0.00 66.70 66.48 1nvv h VAL 689 Cb 0.71 1.39 -0.02 0.00 -1.52 0.00 0.00 31.29 31.85 1nvv h VAL 689 CO 0.05 0.32 0.14 -0.07 0.02 0.00 0.00 177.57 178.03 1nvv h LEU 690 N 0.27 0.66 -0.59 2.57 3.38 -0.80 -1.50 115.31 119.29 1nvv h LEU 690 Ca 0.07 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 1nvv h LEU 690 Cb 0.49 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.04 1nvv h LEU 690 CO 0.02 0.64 0.31 -1.13 0.09 0.00 0.00 178.44 178.37 1nvv h ASN 691 N 0.70 0.75 -0.64 -0.43 -1.24 -0.33 -0.89 115.58 113.50 1nvv h ASN 691 Ca 0.16 -0.11 0.00 0.00 0.71 0.00 0.00 56.30 57.06 1nvv h ASN 691 Cb 0.23 -0.19 -0.03 0.00 0.73 0.00 0.00 38.32 39.05 1nvv h ASN 691 CO -0.01 0.65 0.40 0.58 -1.29 0.00 0.00 177.43 177.76 1nvv h VAL 692 N 0.80 1.18 -0.45 2.57 2.07 -0.73 -1.92 116.25 119.77 1nvv h VAL 692 Ca 0.21 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 67.35 1nvv h VAL 692 Cb 0.07 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 30.09 1nvv h VAL 692 CO -0.03 0.18 0.29 0.00 0.02 0.00 0.00 177.57 178.03 1nvv h ARG 694 N 0.61 -0.06 -0.86 0.00 2.43 -0.90 -1.52 114.38 114.07 1nvv h ARG 694 Ca 0.16 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.32 1nvv h ARG 694 Cb -0.04 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.49 1nvv h ARG 694 CO -0.03 0.02 0.48 0.45 -1.51 0.00 0.00 179.97 179.38 1nvv h HIS 695 N -0.13 1.17 0.12 2.20 3.86 -1.28 0.17 115.15 121.25 1nvv h HIS 695 Ca -0.01 -0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.18 1nvv h HIS 695 Cb 0.11 -0.38 -0.01 0.00 1.06 0.00 0.00 27.41 28.20 1nvv h HIS 695 CO -0.05 0.80 -0.09 2.35 0.86 0.00 0.00 177.93 181.80 1nvv h TRP 696 N 1.20 -0.23 -0.27 2.45 2.91 -0.72 0.77 115.95 122.06 1nvv h TRP 696 Ca 0.30 -0.00 -0.16 0.00 1.13 0.00 0.00 58.89 60.17 1nvv h TRP 696 Cb 0.01 0.08 -0.01 0.00 -0.51 0.00 0.00 29.16 28.73 1nvv h TRP 696 CO 0.01 -0.14 -0.47 0.28 -1.03 0.00 0.00 178.44 177.09 1nvv h VAL 697 N -0.21 1.29 -0.14 2.65 2.07 -1.13 -1.30 116.25 119.48 1nvv h VAL 697 Ca -0.00 -1.67 -0.05 0.00 0.82 0.00 0.00 66.70 65.80 1nvv h VAL 697 Cb 0.19 1.59 -0.00 0.00 -1.52 0.00 0.00 31.29 31.55 1nvv h VAL 697 CO -0.00 0.53 -0.09 -0.08 0.02 0.00 0.00 177.57 177.95 1nvv h GLU 698 N 0.56 0.31 -0.06 1.57 4.81 -0.47 -3.31 114.58 118.00 1nvv h GLU 698 Ca 0.03 -0.15 0.00 0.00 -0.13 0.00 0.00 59.36 59.11 1nvv h GLU 698 Cb 1.03 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.40 1nvv h GLU 698 CO 0.10 0.66 0.00 0.72 -0.73 0.00 0.00 179.01 179.76 1nvv n HIS 699 N -4.62 0.08 -2.75 0.92 8.25 0.25 -4.66 115.22 112.68 1nvv n HIS 699 Ca -0.06 -0.19 -0.04 0.00 -0.26 0.00 0.00 57.72 57.17 1nvv n HIS 699 Cb 0.32 -0.01 0.05 0.00 1.12 0.00 0.00 29.99 31.46 1nvv n HIS 699 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1nvv n HIS 700 N 0.17 0.82 0.31 4.41 8.25 -0.49 -4.93 115.22 123.75 1nvv n HIS 700 Ca 0.04 -2.34 0.20 0.00 -0.26 0.00 0.00 57.72 55.35 1nvv n HIS 700 Cb 0.20 -0.08 1.00 0.00 1.12 0.00 0.00 29.99 32.24 1nvv n HIS 700 CO 0.00 0.00 0.00 0.35 0.64 0.00 0.00 176.34 177.33 1nvv h PHE 701 N 2.62 0.00 -0.19 4.41 3.57 -1.64 -2.92 116.94 122.79 1nvv h PHE 701 Ca -0.15 0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.40 1nvv h PHE 701 Cb 1.24 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.97 1nvv h PHE 701 CO 0.44 0.02 0.15 0.10 -2.23 0.00 0.00 178.31 176.79 1nvv h TYR 702 N 0.00 0.00 -0.96 0.41 -0.00 -1.91 0.75 116.97 115.25 1nvv h TYR 702 Ca -0.00 0.00 0.03 0.00 0.00 0.00 0.00 58.73 58.76 1nvv h TYR 702 Cb 0.17 0.00 -0.05 0.00 0.00 0.00 0.00 36.73 36.84 1nvv h TYR 702 CO 0.00 0.00 0.63 -0.44 -0.00 0.00 0.00 178.16 178.35 1nvv h ASP 703 N 0.00 1.06 0.69 0.10 3.32 -1.89 -0.99 116.42 118.70 1nvv h ASP 703 Ca 0.09 -0.01 -0.19 0.00 0.02 0.00 0.00 57.03 56.93 1nvv h ASP 703 Cb 0.38 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.67 1nvv h ASP 703 CO -0.00 0.73 -0.89 -0.26 -1.72 0.00 0.00 179.24 177.10 1nvv h PHE 704 N 1.23 0.19 -0.26 4.55 0.04 -1.11 -2.76 116.94 118.82 1nvv h PHE 704 Ca 0.38 -0.11 -0.11 0.00 2.80 0.00 0.00 57.97 60.93 1nvv h PHE 704 Cb -0.02 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 38.09 1nvv h PHE 704 CO -0.01 0.95 -0.30 0.93 -0.60 0.00 0.00 178.31 179.28 1nvv h GLU 705 N 0.07 0.54 0.00 1.51 5.08 -0.79 -3.01 114.58 117.97 1nvv h GLU 705 Ca -0.04 -0.23 0.00 0.00 -1.00 0.00 0.00 59.36 58.10 1nvv h GLU 705 Cb 1.53 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.76 1nvv h GLU 705 CO 0.13 0.78 -0.31 0.54 -1.00 0.00 0.00 179.01 179.15 1nvv n ARG 706 N -4.09 0.21 -3.62 2.33 1.74 -0.42 -4.63 116.66 108.18 1nvv n ARG 706 Ca -0.01 0.11 -0.29 0.00 -0.77 0.00 0.00 57.85 56.89 1nvv n ARG 706 Cb 0.44 -1.68 -0.15 0.00 -1.02 0.00 0.00 32.46 30.05 1nvv n ARG 706 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1nvv s ASP 707 N -4.02 3.68 0.20 0.55 -1.08 -1.05 -5.02 116.67 109.94 1nvv s ASP 707 Ca 0.09 -1.40 -0.11 0.00 -0.52 0.00 0.00 52.55 50.62 1nvv s ASP 707 Cb 0.14 -0.55 0.15 0.00 -1.46 0.00 0.00 42.92 41.20 1nvv s ASP 707 CO 0.65 -0.43 1.85 0.00 0.52 0.00 0.00 175.17 177.76 1nvv h ALA 708 N 8.29 0.85 -0.50 3.66 0.00 -1.82 -2.35 119.26 127.38 1nvv h ALA 708 Ca -0.17 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.66 1nvv h ALA 708 Cb 1.02 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 1nvv h ALA 708 CO 0.45 0.21 0.13 -0.92 0.00 0.00 0.00 179.25 179.12 1nvv h TYR 709 N 0.84 0.77 -0.55 0.00 3.20 -1.95 -1.73 116.97 117.55 1nvv h TYR 709 Ca 0.25 -0.06 0.05 0.00 3.14 0.00 0.00 58.73 62.11 1nvv h TYR 709 Cb -0.04 -0.23 -0.05 0.00 1.54 0.00 0.00 36.73 37.96 1nvv h TYR 709 CO -0.04 0.65 0.29 1.25 -1.64 0.00 0.00 178.16 178.67 1nvv h LEU 710 N 0.73 0.43 -0.28 2.82 5.85 -1.77 0.34 115.31 123.43 1nvv h LEU 710 Ca 0.17 0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.87 1nvv h LEU 710 Cb 0.26 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 1nvv h LEU 710 CO -0.00 0.29 0.03 0.25 -0.34 0.00 0.00 178.44 178.67 1nvv h LEU 711 N 0.56 0.47 -0.86 2.25 5.85 -1.28 -1.99 115.31 120.31 1nvv h LEU 711 Ca 0.24 -0.28 0.07 0.00 0.84 0.00 0.00 57.88 58.75 1nvv h LEU 711 Cb 0.13 -0.12 -0.06 0.00 0.37 0.00 0.00 40.66 40.97 1nvv h LEU 711 CO -0.16 0.63 0.53 1.56 -0.34 0.00 0.00 178.44 180.66 1nvv h GLN 712 N 0.29 0.92 -0.42 1.25 4.20 -0.71 -0.23 115.11 120.40 1nvv h GLN 712 Ca 0.08 -0.06 -0.08 0.00 0.06 0.00 0.00 58.65 58.66 1nvv h GLN 712 Cb 0.37 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 27.93 1nvv h GLN 712 CO 0.01 0.61 -0.06 0.00 -0.67 0.00 0.00 178.83 178.71 1nvv h ARG 713 N 0.95 0.71 -0.21 1.46 3.08 -0.73 -0.40 114.38 119.24 1nvv h ARG 713 Ca 0.39 -0.21 -0.08 0.00 0.07 0.00 0.00 59.98 60.15 1nvv h ARG 713 Cb 0.22 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.19 1nvv h ARG 713 CO -0.19 0.77 -0.20 1.98 -1.07 0.00 0.00 179.97 181.26 1nvv h MET 714 N 0.66 0.50 -0.60 0.04 4.05 -0.58 0.19 114.93 119.18 1nvv h MET 714 Ca 0.12 -0.26 -0.04 0.00 -0.28 0.00 0.00 59.70 59.24 1nvv h MET 714 Cb 0.50 0.01 -0.03 0.00 -0.80 0.00 0.00 31.60 31.28 1nvv h MET 714 CO 0.03 0.84 0.21 0.93 0.23 0.00 0.00 176.91 179.14 1nvv h GLU 715 N 0.17 0.90 -0.07 0.39 5.08 -0.91 -0.56 114.58 119.58 1nvv h GLU 715 Ca 0.03 -0.16 -0.20 0.00 -1.00 0.00 0.00 59.36 58.04 1nvv h GLU 715 Cb 0.74 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.84 1nvv h GLU 715 CO 0.05 0.76 -0.78 0.93 -1.00 0.00 0.00 179.01 178.97 1nvv h GLU 716 N 0.88 0.44 0.49 2.33 5.08 -0.96 -2.12 114.58 120.72 1nvv h GLU 716 Ca 0.20 -0.38 -0.02 0.00 -1.00 0.00 0.00 59.36 58.15 1nvv h GLU 716 Cb 0.23 0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.57 1nvv h GLU 716 CO -0.01 1.03 -0.24 0.35 -1.00 0.00 0.00 179.01 179.14 1nvv h PHE 717 N 0.29 -0.61 -0.79 4.33 3.57 -0.49 -2.13 116.94 121.11 1nvv h PHE 717 Ca -0.04 -0.01 0.13 0.00 3.53 0.00 0.00 57.97 61.57 1nvv h PHE 717 Cb 1.37 0.20 -0.06 0.00 2.79 0.00 0.00 35.95 40.26 1nvv h PHE 717 CO 0.05 -0.31 0.52 0.82 -2.23 0.00 0.00 178.31 177.15 1nvv h ILE 718 N -0.82 0.86 0.00 1.41 1.08 -1.16 -0.79 117.51 118.09 1nvv h ILE 718 Ca -0.07 -0.20 0.00 0.00 -0.39 0.00 0.00 64.86 64.20 1nvv h ILE 718 Cb 0.57 0.23 0.00 0.00 -3.07 0.00 0.00 36.82 34.56 1nvv h ILE 718 CO 0.11 0.11 0.00 0.61 -0.69 0.00 0.00 178.15 178.29 1nvv n GLY 719 N -1.48 -1.46 0.02 5.37 0.00 -0.80 -3.20 105.19 103.64 1nvv n GLY 719 Ca 0.14 -0.07 0.11 0.00 0.00 0.00 0.00 46.02 46.21 1nvv n GLY 719 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1nvv n THR 720 N -1.71 0.09 -1.89 2.61 -2.24 -0.31 -4.90 114.28 105.93 1nvv n THR 720 Ca 0.06 -0.16 -0.43 0.00 -2.27 0.00 0.00 64.05 61.25 1nvv n THR 720 Cb 0.33 0.40 -0.03 0.00 -2.10 0.00 0.00 70.33 68.93 1nvv n THR 720 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1nvv s VAL 721 N -3.14 3.36 0.37 2.28 1.01 -1.16 -4.99 120.40 118.13 1nvv s VAL 721 Ca 0.05 0.39 0.06 0.00 0.00 0.00 0.00 61.98 62.48 1nvv s VAL 721 Cb 0.15 -3.42 -0.00 0.00 0.00 0.00 0.00 36.38 33.11 1nvv s VAL 721 CO 0.81 -0.22 0.52 -0.13 0.00 0.00 0.00 175.10 176.08 1nvv s ARG 722 N 5.45 3.02 0.00 2.72 0.52 -1.26 -4.90 118.95 124.50 1nvv s ARG 722 Ca 0.84 -1.04 0.00 0.00 -0.52 0.00 0.00 55.73 55.01 1nvv s ARG 722 Cb -0.28 -2.78 0.00 0.00 0.52 0.00 0.00 34.95 32.41 1nvv s ARG 722 CO 0.34 -0.07 0.00 0.41 0.02 0.00 0.00 175.30 175.99 1nvv n GLY 723 N -1.75 2.54 0.20 -3.53 0.00 -1.26 -4.79 105.19 96.61 1nvv n GLY 723 Ca 0.03 -1.58 0.13 0.00 0.00 0.00 0.00 46.02 44.60 1nvv n GLY 723 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1nvv h LYS 724 N 0.00 0.00 0.00 1.61 2.10 -2.00 -2.92 116.57 115.36 1nvv h LYS 724 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1nvv h LYS 724 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1nvv h LYS 724 CO 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 179.45 177.45 1nvv n ALA 725 N -2.02 2.35 0.00 0.07 0.00 -1.26 -3.27 120.51 116.38 1nvv n ALA 725 Ca 0.03 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1nvv n ALA 725 Cb 0.44 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 18.78 1nvv n ALA 725 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1nvv n MET 726 N -0.64 5.26 -0.35 0.00 2.81 -1.18 -4.88 117.12 118.14 1nvv n MET 726 Ca 0.05 0.00 0.25 0.00 -1.81 0.00 0.00 57.70 56.19 1nvv n MET 726 Cb 0.02 -0.45 0.50 0.00 -0.71 0.00 0.00 33.22 32.58 1nvv n MET 726 CO 0.00 0.00 0.00 -0.22 1.51 0.00 0.00 175.97 177.26 1nvv h LYS 727 N 0.00 0.32 -0.23 0.03 3.64 -1.50 0.29 116.57 119.13 1nvv h LYS 727 Ca 0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1nvv h LYS 727 Cb 0.00 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.73 1nvv h LYS 727 CO 0.00 0.21 0.14 0.87 -2.27 0.00 0.00 179.45 178.41 1nvv h LYS 728 N 0.33 0.28 0.02 1.90 1.57 -1.90 -1.26 116.57 117.51 1nvv h LYS 728 Ca 0.71 -0.02 -0.21 0.00 -1.87 0.00 0.00 60.65 59.27 1nvv h LYS 728 Cb 1.73 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.96 1nvv h LYS 728 CO -0.51 0.19 -0.94 -1.49 -0.57 0.00 0.00 179.45 176.13 1nvv h TRP 729 N 0.29 0.33 -0.02 -1.35 6.55 -1.41 -2.68 115.95 117.65 1nvv h TRP 729 Ca 0.08 -0.19 -0.00 0.00 0.95 0.00 0.00 58.89 59.73 1nvv h TRP 729 Cb -0.02 -0.03 -0.00 0.00 -0.86 0.00 0.00 29.16 28.24 1nvv h TRP 729 CO -0.07 1.03 0.01 0.28 -1.05 0.00 0.00 178.44 178.64 1nvv h VAL 730 N 0.11 1.13 -0.82 1.49 2.07 -0.91 -1.09 116.25 118.22 1nvv h VAL 730 Ca -0.06 -0.40 0.02 0.00 0.82 0.00 0.00 66.70 67.09 1nvv h VAL 730 Cb 1.59 1.36 -0.05 0.00 -1.52 0.00 0.00 31.29 32.67 1nvv h VAL 730 CO 0.14 0.11 0.53 -0.08 0.02 0.00 0.00 177.57 178.30 1nvv h GLU 731 N -0.12 1.03 0.23 1.57 4.81 -1.30 -1.38 114.58 119.43 1nvv h GLU 731 Ca 0.01 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 1nvv h GLU 731 Cb 0.16 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.31 1nvv h GLU 731 CO -0.00 0.68 -0.11 1.03 -0.73 0.00 0.00 179.01 179.88 1nvv h SER 732 N 1.06 -0.27 -0.68 1.04 0.87 -1.18 -2.34 113.55 112.05 1nvv h SER 732 Ca 0.32 -0.01 -0.03 0.00 -1.23 0.00 0.00 61.79 60.84 1nvv h SER 732 Cb -0.04 0.07 -0.03 0.00 -0.44 0.00 0.00 62.40 61.96 1nvv h SER 732 CO -0.10 -0.16 0.32 0.40 -0.53 0.00 0.00 176.83 176.75 1nvv h ILE 733 N -0.34 1.23 -0.83 2.23 2.04 -0.99 -1.45 117.51 119.40 1nvv h ILE 733 Ca -0.03 -0.67 0.02 0.00 1.00 0.00 0.00 64.86 65.18 1nvv h ILE 733 Cb 0.26 0.36 -0.04 0.00 -0.74 0.00 0.00 36.82 36.66 1nvv h ILE 733 CO 0.05 0.28 0.54 0.74 0.00 0.00 0.00 178.15 179.76 1nvv h THR 734 N 0.99 1.18 -0.37 -0.27 2.02 -1.10 -0.58 112.91 114.78 1nvv h THR 734 Ca 0.24 -0.37 -0.14 0.00 0.77 0.00 0.00 66.41 66.90 1nvv h THR 734 Cb 0.13 -0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.53 1nvv h THR 734 CO -0.03 0.20 -0.34 0.11 0.37 0.00 0.00 175.52 175.83 1nvv h LYS 735 N 1.09 0.83 -0.78 6.66 1.57 -0.93 -2.42 116.57 122.59 1nvv h LYS 735 Ca 0.31 -0.40 -0.05 0.00 -1.87 0.00 0.00 60.65 58.64 1nvv h LYS 735 Cb -0.08 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.19 1nvv h LYS 735 CO -0.08 1.04 0.28 0.82 -0.57 0.00 0.00 179.45 180.94 1nvv h ILE 736 N 0.69 1.26 -0.57 1.86 2.04 -0.79 -1.16 117.51 120.85 1nvv h ILE 736 Ca 0.07 -0.87 -0.03 0.00 1.00 0.00 0.00 64.86 65.03 1nvv h ILE 736 Cb 0.89 0.36 -0.03 0.00 -0.74 0.00 0.00 36.82 37.31 1nvv h ILE 736 CO 0.08 0.35 0.25 0.40 0.00 0.00 0.00 178.15 179.23 1nvv h ILE 737 N 1.15 1.21 -0.03 -0.67 2.04 -0.98 -2.18 117.51 118.05 1nvv h ILE 737 Ca 0.26 -0.64 -0.09 0.00 1.00 0.00 0.00 64.86 65.39 1nvv h ILE 737 Cb 0.26 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 36.91 1nvv h ILE 737 CO -0.02 0.25 -0.41 1.56 0.00 0.00 0.00 178.15 179.54 1nvv h GLN 738 N 0.77 0.06 -0.06 2.37 1.08 -1.09 -2.70 115.11 115.54 1nvv h GLN 738 Ca 0.19 -0.03 -0.12 0.00 -1.45 0.00 0.00 58.65 57.25 1nvv h GLN 738 Cb 0.16 -0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.57 1nvv h GLN 738 CO -0.02 0.46 -0.50 0.00 -0.95 0.00 0.00 178.83 177.82 1nvv h ARG 739 N 0.05 0.17 0.00 1.46 3.08 -0.85 -2.76 114.38 115.53 1nvv h ARG 739 Ca 0.00 -0.09 -0.02 0.00 0.07 0.00 0.00 59.98 59.94 1nvv h ARG 739 Cb 0.75 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.80 1nvv h ARG 739 CO 0.06 0.63 -0.10 0.87 -1.07 0.00 0.00 179.97 180.36 1nvv h LYS 740 N 0.13 0.00 0.02 0.04 1.79 -1.07 -3.09 116.57 114.39 1nvv h LYS 740 Ca 0.00 0.00 -0.28 0.00 -2.18 0.00 0.00 60.65 58.20 1nvv h LYS 740 Cb 0.93 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.54 1nvv h LYS 740 CO 0.07 0.10 -1.53 0.87 -1.08 0.00 0.00 179.45 177.88 1nvv h LYS 741 N 0.00 0.04 -0.03 3.15 1.57 -1.35 -3.37 116.57 116.58 1nvv h LYS 741 Ca -0.00 -0.06 -0.24 0.00 -1.87 0.00 0.00 60.65 58.47 1nvv h LYS 741 Cb 0.62 0.02 0.01 0.00 0.08 0.00 0.00 32.23 32.96 1nvv h LYS 741 CO 0.01 0.71 -0.96 -0.84 -0.57 0.00 0.00 179.45 177.81 1nvv h ILE 742 N 0.01 1.32 0.00 1.86 3.07 -1.46 -3.52 117.51 118.78 1nvv h ILE 742 Ca -0.22 -2.25 0.00 0.00 1.55 0.00 0.00 64.86 63.95 1nvv h ILE 742 Cb 1.95 2.31 0.00 0.00 -0.27 0.00 0.00 36.82 40.81 1nvv h ILE 742 CO 0.10 0.69 0.00 0.00 -1.05 0.00 0.00 178.15 177.89 1nvv n ALA 743 N -2.61 0.00 0.00 0.16 0.00 -1.17 -5.14 120.51 111.75 1nvv n ALA 743 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1nvv n ALA 743 Cb 0.84 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.29 1nvv n ALA 743 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1nvv n HIS 750 N 0.00 0.00 -1.60 0.00 -0.00 -1.26 -4.92 115.22 107.44 1nvv n HIS 750 Ca 0.00 0.00 -0.31 0.00 0.46 0.00 0.00 57.72 57.87 1nvv n HIS 750 Cb 0.00 0.00 0.05 0.00 -0.12 0.00 0.00 29.99 29.92 1nvv n HIS 750 CO 0.00 0.00 0.00 1.21 0.46 0.00 0.00 176.34 178.01 1nvv s ASN 751 N 0.00 5.27 -0.06 0.26 2.47 -1.26 -5.07 114.94 116.55 1nvv s ASN 751 Ca 0.00 1.52 0.02 0.00 0.42 0.00 0.00 52.86 54.83 1nvv s ASN 751 Cb 0.00 -2.38 0.01 0.00 -1.45 0.00 0.00 41.25 37.43 1nvv s ASN 751 CO 0.00 -1.50 -0.13 -0.63 -3.72 0.00 0.00 177.10 171.12 1nvv s ILE 752 N -3.09 1.18 -0.06 -5.21 -1.09 -1.26 -5.14 121.20 106.54 1nvv s ILE 752 Ca 0.58 -0.51 0.01 0.00 -2.23 0.00 0.00 60.65 58.50 1nvv s ILE 752 Cb -0.14 -1.07 -0.03 0.00 -1.58 0.00 0.00 42.46 39.64 1nvv s ILE 752 CO 0.55 0.36 -0.07 -0.89 -1.23 0.00 0.00 174.94 173.67 1nvv s THR 753 N 0.61 3.73 0.15 2.92 2.01 -1.26 -5.13 115.64 118.67 1nvv s THR 753 Ca -0.14 -0.49 0.10 0.00 0.31 0.00 0.00 61.69 61.46 1nvv s THR 753 Cb -0.16 -2.53 -0.04 0.00 0.01 0.00 0.00 72.50 69.78 1nvv s THR 753 CO 0.04 0.58 -0.22 -0.36 -0.69 0.00 0.00 174.62 173.97 1nvv s PHE 754 N -0.83 2.06 0.00 4.92 0.08 -1.26 -5.06 117.98 117.89 1nvv s PHE 754 Ca 0.13 -0.41 0.00 0.00 0.12 0.00 0.00 56.93 56.77 1nvv s PHE 754 Cb -0.11 -1.06 0.00 0.00 -0.57 0.00 0.00 43.02 41.28 1nvv s PHE 754 CO 0.02 0.36 0.95 1.04 -0.10 0.00 0.00 175.22 177.49 1nvv n GLN 755 N 0.57 0.00 -1.36 0.44 1.13 -1.26 -4.86 117.38 112.04 1nvv n GLN 755 Ca -0.15 0.46 -0.05 0.00 -1.94 0.00 0.00 57.00 55.31 1nvv n GLN 755 Cb 0.55 -1.45 0.02 0.00 0.11 0.00 0.00 30.24 29.47 1nvv n GLN 755 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 1nvv n SER 756 N -1.87 0.47 -4.79 1.08 2.88 -1.26 -5.12 113.62 105.01 1nvv n SER 756 Ca 0.00 -1.36 -0.31 0.00 -1.33 0.00 0.00 58.87 55.86 1nvv n SER 756 Cb 0.00 -0.14 -0.06 0.00 -0.75 0.00 0.00 64.21 63.26 1nvv n SER 756 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1nvv s SER 757 N -2.00 5.66 0.54 -3.46 0.15 -1.26 -5.09 113.70 108.23 1nvv s SER 757 Ca 0.17 0.07 -0.21 0.00 0.70 0.00 0.00 55.95 56.67 1nvv s SER 757 Cb -0.01 -1.58 -0.05 0.00 -1.71 0.00 0.00 66.02 62.67 1nvv s SER 757 CO 0.11 0.21 1.27 -2.16 1.20 0.00 0.00 173.24 173.87 1nvv s PRO 758 N -2.17 3.24 0.73 5.44 0.04 -1.26 -4.99 135.00 136.03 1nvv s PRO 758 Ca 0.28 2.02 -0.13 0.00 0.04 0.00 0.00 61.00 63.20 1nvv s PRO 758 Cb -0.12 -2.21 0.04 0.00 0.04 0.00 0.00 34.50 32.25 1nvv s PRO 758 CO 0.20 -1.04 1.12 -1.25 0.04 0.00 0.00 177.00 176.07 1nvv s PRO 759 N -2.96 2.36 0.29 0.56 0.04 -1.26 -4.95 135.00 129.08 1nvv s PRO 759 Ca 0.71 1.41 -0.29 0.00 0.04 0.00 0.00 61.00 62.87 1nvv s PRO 759 Cb -0.35 -1.89 -0.10 0.00 0.04 0.00 0.00 34.50 32.20 1nvv s PRO 759 CO 0.41 -1.60 1.35 0.99 0.04 0.00 0.00 177.00 178.19 1nvv s THR 760 N -2.47 2.74 0.25 1.26 2.01 -1.26 -4.63 115.64 113.54 1nvv s THR 760 Ca 0.67 0.69 -0.30 0.00 0.31 0.00 0.00 61.69 63.05 1nvv s THR 760 Cb -0.21 -3.44 -0.10 0.00 0.01 0.00 0.00 72.50 68.76 1nvv s THR 760 CO 0.48 0.14 1.47 -0.69 -0.69 0.00 0.00 174.62 175.33 1nvv s VAL 761 N -0.67 2.55 -0.12 3.82 1.01 -1.26 -5.00 120.40 120.72 1nvv s VAL 761 Ca 0.53 0.46 -0.05 0.00 0.00 0.00 0.00 61.98 62.91 1nvv s VAL 761 Cb -0.40 -3.29 -0.04 0.00 0.00 0.00 0.00 36.38 32.65 1nvv s VAL 761 CO 0.49 0.07 0.08 -1.61 0.00 0.00 0.00 175.10 174.13 1nvv s GLU 762 N -0.33 3.40 0.11 2.72 2.02 -1.26 -5.10 118.70 120.26 1nvv s GLU 762 Ca 0.61 -0.26 0.10 0.00 0.02 0.00 0.00 54.97 55.43 1nvv s GLU 762 Cb -0.43 -3.07 -0.04 0.00 0.10 0.00 0.00 34.13 30.70 1nvv s GLU 762 CO 0.44 0.65 -0.25 -1.58 0.02 0.00 0.00 175.26 174.53 1nvv s TRP 763 N -0.70 2.18 0.00 1.61 0.52 -1.26 -4.53 118.94 116.76 1nvv s TRP 763 Ca 0.12 -0.39 0.00 0.00 0.02 0.00 0.00 56.10 55.85 1nvv s TRP 763 Cb -0.12 -1.20 0.00 0.00 -1.15 0.00 0.00 33.47 31.00 1nvv s TRP 763 CO 0.03 0.29 0.00 1.58 0.02 0.00 0.00 176.95 178.86 1nvv n HIS 764 N 1.05 0.00 0.00 -1.98 -0.00 -1.26 -4.84 115.22 108.19 1nvv n HIS 764 Ca -0.18 0.00 -0.11 0.00 0.46 0.00 0.00 57.72 57.88 1nvv n HIS 764 Cb 0.53 0.00 -0.09 0.00 -0.12 0.00 0.00 29.99 30.31 1nvv n HIS 764 CO 0.00 0.00 0.00 0.82 0.46 0.00 0.00 176.34 177.62 1nvv h ILE 765 N 0.00 1.16 -3.56 3.57 2.04 -1.54 -3.44 117.51 115.74 1nvv h ILE 765 Ca 0.00 -1.42 -0.52 0.00 1.00 0.00 0.00 64.86 63.91 1nvv h ILE 765 Cb 0.00 2.00 0.05 0.00 -0.74 0.00 0.00 36.82 38.13 1nvv h ILE 765 CO 0.00 0.32 0.68 -0.44 0.00 0.00 0.00 178.15 178.71 1nvv s SER 766 N -5.71 6.78 0.33 1.72 0.01 -0.45 -5.02 113.70 111.36 1nvv s SER 766 Ca -0.14 2.59 0.07 0.00 1.31 0.00 0.00 55.95 59.78 1nvv s SER 766 Cb -0.00 -2.63 -0.03 0.00 0.21 0.00 0.00 66.02 63.57 1nvv s SER 766 CO 0.55 -0.58 0.28 -0.13 0.41 0.00 0.00 173.24 173.76 1nvv s ARG 767 N -0.80 2.72 0.18 12.44 1.81 -1.26 -4.91 118.95 129.13 1nvv s ARG 767 Ca 0.55 -1.29 -0.33 0.00 -1.72 0.00 0.00 55.73 52.94 1nvv s ARG 767 Cb -0.39 -2.47 -0.14 0.00 -0.45 0.00 0.00 34.95 31.49 1nvv s ARG 767 CO 0.45 0.12 1.44 -2.30 -0.68 0.00 0.00 175.30 174.32 1nvv n PRO 768 N -1.35 1.86 0.00 3.54 -0.02 -1.26 -1.89 135.00 135.88 1nvv n PRO 768 Ca -0.02 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.12 1nvv n PRO 768 Cb 0.60 -2.35 0.00 0.00 -0.02 0.00 0.00 33.50 31.73 1nvv n PRO 768 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1nvv n GLY 769 N 2.67 2.41 2.67 -1.23 0.00 -1.26 -4.93 105.19 105.52 1nvv n GLY 769 Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 1nvv n GLY 769 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1nvv n HIS 770 N -2.00 2.66 0.33 1.61 8.25 -0.79 -4.78 115.22 120.50 1nvv n HIS 770 Ca 0.00 -2.47 0.15 0.00 -0.26 0.00 0.00 57.72 55.14 1nvv n HIS 770 Cb 0.00 -1.33 0.79 0.00 1.12 0.00 0.00 29.99 30.56 1nvv n HIS 770 CO 0.00 0.00 0.00 -0.84 0.64 0.00 0.00 176.34 176.14 1nvv h ILE 771 N 2.20 0.01 0.00 1.59 3.07 -1.92 -1.33 117.51 121.13 1nvv h ILE 771 Ca 0.56 0.00 -0.00 0.00 1.55 0.00 0.00 64.86 66.97 1nvv h ILE 771 Cb 0.28 0.64 -0.00 0.00 -0.27 0.00 0.00 36.82 37.47 1nvv h ILE 771 CO 1.27 0.00 -0.02 -0.33 -1.05 0.00 0.00 178.15 178.01 1nvv h GLU 772 N 0.00 0.00 -0.01 0.16 3.07 -1.97 -2.98 114.58 112.85 1nvv h GLU 772 Ca 0.01 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.87 1nvv h GLU 772 Cb 0.73 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.64 1nvv h GLU 772 CO -0.00 0.02 -0.53 0.25 -1.40 0.00 0.00 179.01 177.36 1nvv n THR 773 N -3.12 0.00 -1.70 1.13 -2.24 -0.50 -4.97 114.28 102.88 1nvv n THR 773 Ca 0.01 -0.12 -0.44 0.00 -2.27 0.00 0.00 64.05 61.23 1nvv n THR 773 Cb 0.34 0.78 -0.03 0.00 -2.10 0.00 0.00 70.33 69.32 1nvv n THR 773 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1nvv n PHE 774 N -0.77 2.52 -3.79 4.78 3.01 -1.13 -4.79 117.46 117.28 1nvv n PHE 774 Ca 0.08 0.22 -0.03 0.00 1.01 0.00 0.00 57.45 58.73 1nvv n PHE 774 Cb 0.38 -2.58 -0.00 0.00 -0.01 0.00 0.00 39.48 37.27 1nvv n PHE 774 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1nvv s ASP 775 N 0.82 -0.11 0.25 4.37 -1.08 -1.26 -5.01 116.67 114.65 1nvv s ASP 775 Ca 0.73 -0.51 -0.03 0.00 -0.52 0.00 0.00 52.55 52.23 1nvv s ASP 775 Cb -0.59 0.50 0.50 0.00 -1.46 0.00 0.00 42.92 41.88 1nvv s ASP 775 CO 0.40 -0.95 1.74 0.25 0.52 0.00 0.00 175.17 177.12 1nvv h LEU 776 N 2.00 0.37 0.00 -1.34 5.85 -1.93 -2.36 115.31 117.90 1nvv h LEU 776 Ca -0.26 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.57 1nvv h LEU 776 Cb 1.23 0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.32 1nvv h LEU 776 CO 0.29 0.14 -0.77 0.18 -0.34 0.00 0.00 178.44 177.94 1nvv n LEU 777 N -4.96 0.69 -0.01 2.25 4.77 -1.26 -4.30 117.00 114.18 1nvv n LEU 777 Ca 0.16 -0.18 -0.01 0.00 -0.03 0.00 0.00 56.01 55.95 1nvv n LEU 777 Cb 0.44 -0.14 -0.12 0.00 -2.33 0.00 0.00 43.42 41.27 1nvv n LEU 777 CO 0.19 0.15 -0.62 0.35 -1.33 0.00 0.00 177.39 176.13 1nvv n THR 778 N -1.58 1.06 -2.80 -5.08 -2.24 -1.08 -4.78 114.28 97.78 1nvv n THR 778 Ca 0.04 -0.71 -0.32 0.00 -2.27 0.00 0.00 64.05 60.80 1nvv n THR 778 Cb 0.35 -0.56 -0.05 0.00 -2.10 0.00 0.00 70.33 67.98 1nvv n THR 778 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1nvv s LEU 779 N -5.50 3.85 0.12 3.22 1.43 -0.91 -1.34 118.68 119.55 1nvv s LEU 779 Ca -0.06 1.38 -0.31 0.00 -1.03 0.00 0.00 54.13 54.11 1nvv s LEU 779 Cb 0.09 -4.25 -0.07 0.00 0.03 0.00 0.00 46.19 41.98 1nvv s LEU 779 CO 0.83 -0.39 1.30 -2.28 0.23 0.00 0.00 176.35 176.03 1nvv s HIS 780 N -2.31 3.33 0.42 0.29 5.65 -1.26 -4.83 115.29 116.58 1nvv s HIS 780 Ca 0.56 1.16 0.13 0.00 0.25 0.00 0.00 55.06 57.16 1nvv s HIS 780 Cb -0.10 -3.56 0.98 0.00 -1.18 0.00 0.00 32.58 28.72 1nvv s HIS 780 CO 0.25 -1.82 1.96 -1.00 -0.65 0.00 0.00 174.74 173.47 1nvv h PRO 781 N 6.36 0.46 -0.34 2.88 0.13 -1.88 -0.97 132.00 138.64 1nvv h PRO 781 Ca -0.43 -0.03 -0.03 0.00 -0.87 0.00 0.00 66.00 64.65 1nvv h PRO 781 Cb 1.21 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 32.22 1nvv h PRO 781 CO 0.82 0.30 0.10 0.82 -0.23 0.00 0.00 178.00 179.81 1nvv h ILE 782 N 0.47 1.21 0.00 -3.56 2.04 -1.91 -2.19 117.51 113.57 1nvv h ILE 782 Ca 0.31 -0.69 -0.10 0.00 1.00 0.00 0.00 64.86 65.38 1nvv h ILE 782 Cb 0.58 1.02 -0.01 0.00 -0.74 0.00 0.00 36.82 37.66 1nvv h ILE 782 CO -0.10 0.24 -0.46 -0.08 0.00 0.00 0.00 178.15 177.76 1nvv h GLU 783 N 0.40 0.00 0.17 2.37 4.57 -1.58 -1.49 114.58 119.02 1nvv h GLU 783 Ca 0.11 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.28 1nvv h GLU 783 Cb 0.26 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.85 1nvv h GLU 783 CO -0.00 0.46 -0.08 0.82 -1.18 0.00 0.00 179.01 179.02 1nvv h ILE 784 N 0.00 0.92 -0.85 2.32 2.04 -0.99 -0.47 117.51 120.48 1nvv h ILE 784 Ca -0.00 -0.39 0.03 0.00 1.00 0.00 0.00 64.86 65.49 1nvv h ILE 784 Cb 0.84 1.16 -0.05 0.00 -0.74 0.00 0.00 36.82 38.03 1nvv h ILE 784 CO 0.06 0.09 0.55 0.00 0.00 0.00 0.00 178.15 178.85 1nvv h ALA 785 N 0.38 1.11 0.21 1.87 0.00 -1.27 -1.23 119.26 120.32 1nvv h ALA 785 Ca -0.02 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1nvv h ALA 785 Cb 0.32 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1nvv h ALA 785 CO 0.04 0.41 -0.10 0.00 0.00 0.00 0.00 179.25 179.60 1nvv h ARG 786 N 1.08 -0.27 -0.86 0.00 3.08 -1.12 -0.79 114.38 115.51 1nvv h ARG 786 Ca 0.33 0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.38 1nvv h ARG 786 Cb -0.03 0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.04 1nvv h ARG 786 CO -0.10 0.01 0.44 1.96 -1.07 0.00 0.00 179.97 181.21 1nvv h GLN 787 N -0.54 1.21 -0.04 0.04 1.08 -1.02 -0.42 115.11 115.43 1nvv h GLN 787 Ca -0.03 -0.16 -0.09 0.00 -1.45 0.00 0.00 58.65 56.92 1nvv h GLN 787 Cb 0.40 -0.23 -0.01 0.00 -0.05 0.00 0.00 27.48 27.59 1nvv h GLN 787 CO 0.05 0.91 -0.41 -0.07 -0.95 0.00 0.00 178.83 178.36 1nvv h LEU 788 N 1.21 0.08 -0.46 1.46 3.38 -1.23 -0.79 115.31 118.97 1nvv h LEU 788 Ca 0.30 -0.03 -0.17 0.00 0.09 0.00 0.00 57.88 58.07 1nvv h LEU 788 Cb 0.07 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 1nvv h LEU 788 CO -0.04 0.48 -0.59 0.74 0.09 0.00 0.00 178.44 179.12 1nvv h THR 789 N 0.06 1.32 -0.25 0.22 2.02 0.02 0.21 112.91 116.51 1nvv h THR 789 Ca 0.00 -1.85 -0.04 0.00 0.77 0.00 0.00 66.41 65.30 1nvv h THR 789 Cb 0.75 1.82 -0.01 0.00 -1.74 0.00 0.00 68.15 68.97 1nvv h THR 789 CO 0.06 0.58 0.02 -0.07 0.37 0.00 0.00 175.52 176.47 1nvv h LEU 790 N 0.44 0.43 0.27 2.58 3.38 -0.84 0.15 115.31 121.71 1nvv h LEU 790 Ca -0.00 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.67 1nvv h LEU 790 Cb 1.15 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.78 1nvv h LEU 790 CO 0.11 0.61 -0.19 0.25 0.09 0.00 0.00 178.44 179.32 1nvv h LEU 791 N 0.23 -0.48 -1.51 1.67 5.85 -1.01 -1.58 115.31 118.48 1nvv h LEU 791 Ca 0.07 0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.78 1nvv h LEU 791 Cb 0.38 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.56 1nvv h LEU 791 CO 0.01 -0.30 -0.25 -0.33 -0.34 0.00 0.00 178.44 177.24 1nvv h GLU 792 N -0.45 0.00 -0.17 1.25 5.08 -0.50 -2.17 114.58 117.61 1nvv h GLU 792 Ca -0.02 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.27 1nvv h GLU 792 Cb 0.39 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.64 1nvv h GLU 792 CO 0.01 0.25 -0.14 1.03 -1.00 0.00 0.00 179.01 179.15 1nvv h SER 793 N 0.00 0.42 -0.65 1.42 0.87 -0.39 -2.17 113.55 113.04 1nvv h SER 793 Ca -0.00 -0.46 -0.04 0.00 -1.23 0.00 0.00 61.79 60.05 1nvv h SER 793 Cb 0.51 -0.12 -0.03 0.00 -0.44 0.00 0.00 62.40 62.32 1nvv h SER 793 CO 0.03 0.80 0.24 0.44 -0.53 0.00 0.00 176.83 177.81 1nvv h ASP 794 N 0.05 0.93 -0.59 6.23 3.32 -0.96 -0.26 116.42 125.15 1nvv h ASP 794 Ca 0.03 -0.15 -0.06 0.00 0.02 0.00 0.00 57.03 56.87 1nvv h ASP 794 Cb 0.67 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.95 1nvv h ASP 794 CO 0.04 0.85 0.12 -0.07 -1.72 0.00 0.00 179.24 178.46 1nvv h LEU 795 N 0.99 0.90 -0.34 1.55 3.38 -1.36 -2.39 115.31 118.04 1nvv h LEU 795 Ca 0.23 -0.24 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 1nvv h LEU 795 Cb 0.23 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1nvv h LEU 795 CO -0.01 0.92 0.13 0.22 0.09 0.00 0.00 178.44 179.78 1nvv h TYR 796 N 0.85 0.52 0.00 1.13 3.20 -1.01 -2.69 116.97 118.97 1nvv h TYR 796 Ca 0.18 -0.04 0.00 0.00 3.14 0.00 0.00 58.73 62.01 1nvv h TYR 796 Cb 0.38 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 38.49 1nvv h TYR 796 CO 0.03 0.49 0.00 0.00 -1.64 0.00 0.00 178.16 177.04 1nvv h ARG 797 N 0.40 0.00 -0.01 1.82 3.08 -0.97 -2.87 114.38 115.83 1nvv h ARG 797 Ca 0.11 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.16 1nvv h ARG 797 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.25 1nvv h ARG 797 CO -0.01 0.00 -0.09 0.00 -1.07 0.00 0.00 179.97 178.80 1nvv n ALA 798 N -1.98 2.76 -2.66 0.04 0.00 -0.91 -4.85 120.51 112.91 1nvv n ALA 798 Ca 0.00 -0.41 -0.43 0.00 0.00 0.00 0.00 53.44 52.61 1nvv n ALA 798 Cb 0.21 -1.18 -0.03 0.00 0.00 0.00 0.00 19.45 18.46 1nvv n ALA 798 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1nvv s VAL 799 N -2.20 4.73 0.21 0.00 1.01 -1.09 -4.86 120.40 118.20 1nvv s VAL 799 Ca 0.33 1.94 -0.03 0.00 0.00 0.00 0.00 61.98 64.23 1nvv s VAL 799 Cb 0.20 -4.27 -0.05 0.00 0.00 0.00 0.00 36.38 32.26 1nvv s VAL 799 CO 0.41 -0.13 0.43 -1.10 0.00 0.00 0.00 175.10 174.71 1nvv s GLN 800 N 2.92 3.57 0.34 2.72 -1.52 -1.26 -5.01 119.66 121.41 1nvv s GLN 800 Ca 0.43 -0.20 0.06 0.00 -1.95 0.00 0.00 55.36 53.69 1nvv s GLN 800 Cb -0.16 -2.79 0.71 0.00 -0.22 0.00 0.00 33.01 30.55 1nvv s GLN 800 CO 0.08 0.37 1.91 -1.35 -0.25 0.00 0.00 175.29 176.05 1nvv h PRO 801 N 2.09 0.78 -0.17 2.91 0.11 -1.96 -1.66 132.00 134.11 1nvv h PRO 801 Ca -0.47 -0.05 0.05 0.00 0.11 0.00 0.00 66.00 65.64 1nvv h PRO 801 Cb 1.18 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.11 1nvv h PRO 801 CO 0.68 0.52 0.26 0.66 -0.21 0.00 0.00 178.00 179.91 1nvv h SER 802 N 0.80 0.00 1.06 -2.05 4.64 -1.93 0.39 113.55 116.47 1nvv h SER 802 Ca 0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.71 1nvv h SER 802 Cb 0.42 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 1nvv h SER 802 CO -0.15 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.19 1nvv n GLU 803 N -3.53 0.05 -0.07 4.77 1.02 -0.62 -4.21 120.64 118.05 1nvv n GLU 803 Ca 0.02 0.05 -0.12 0.00 -0.02 0.00 0.00 57.16 57.08 1nvv n GLU 803 Cb 0.37 -1.56 -0.06 0.00 -0.02 0.00 0.00 31.44 30.18 1nvv n GLU 803 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1nvv n LEU 804 N -1.64 2.13 -4.70 -4.62 4.32 0.13 -4.01 117.00 108.62 1nvv n LEU 804 Ca 0.07 0.04 -0.42 0.00 -0.02 0.00 0.00 56.01 55.67 1nvv n LEU 804 Cb 0.35 -0.46 -0.00 0.00 -1.62 0.00 0.00 43.42 41.69 1nvv n LEU 804 CO 0.27 0.54 0.90 0.52 -1.22 0.00 0.00 177.39 178.41 1nvv n VAL 805 N -3.23 2.06 -0.97 4.08 0.31 -0.62 -1.53 118.33 118.43 1nvv n VAL 805 Ca -0.26 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.57 1nvv n VAL 805 Cb 0.73 -1.58 0.00 0.00 -0.91 0.00 0.00 33.84 32.08 1nvv n VAL 805 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1nvv n GLY 806 N 0.77 0.43 2.50 2.92 0.00 -1.26 -3.57 105.19 106.97 1nvv n GLY 806 Ca 0.05 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.89 1nvv n GLY 806 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1nvv n SER 807 N -0.22 -4.97 0.33 1.61 7.64 -0.58 -4.87 113.62 112.56 1nvv n SER 807 Ca 0.00 0.04 0.20 0.00 1.01 0.00 0.00 58.87 60.12 1nvv n SER 807 Cb 0.11 -4.15 1.07 0.00 -1.01 0.00 0.00 64.21 60.23 1nvv n SER 807 CO 0.00 0.00 0.00 -0.37 -3.01 0.00 0.00 175.04 171.66 1nvv h VAL 808 N -0.13 0.07 0.00 0.44 -1.51 -1.69 -2.04 116.25 111.39 1nvv h VAL 808 Ca -0.41 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.06 1nvv h VAL 808 Cb 1.30 0.90 0.00 0.00 -2.13 0.00 0.00 31.29 31.35 1nvv h VAL 808 CO 0.48 0.00 0.00 -2.67 -1.23 0.00 0.00 177.57 174.15 1nvv n TRP 809 N -3.13 0.00 0.76 5.19 2.14 -1.26 -2.58 117.44 118.57 1nvv n TRP 809 Ca -0.02 0.00 0.09 0.00 2.07 0.00 0.00 57.50 59.63 1nvv n TRP 809 Cb 0.18 -0.44 0.03 0.00 -0.81 0.00 0.00 31.31 30.27 1nvv n TRP 809 CO 0.00 0.00 0.00 0.25 2.07 0.00 0.00 177.69 180.01 1nvv n THR 810 N -1.44 0.00 -2.97 -1.67 -2.24 -0.77 -4.79 114.28 100.40 1nvv n THR 810 Ca 0.06 -0.40 -0.20 0.00 -2.27 0.00 0.00 64.05 61.24 1nvv n THR 810 Cb 0.22 1.28 0.02 0.00 -2.10 0.00 0.00 70.33 69.74 1nvv n THR 810 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1nvv s LYS 811 N -1.79 2.86 0.51 -0.78 -0.14 -1.06 -4.99 119.74 114.35 1nvv s LYS 811 Ca 0.17 -0.84 0.29 0.00 -1.36 0.00 0.00 55.97 54.24 1nvv s LYS 811 Cb 0.14 -2.63 1.42 0.00 -1.68 0.00 0.00 37.83 35.08 1nvv s LYS 811 CO 0.35 -0.35 1.87 0.93 -0.76 0.00 0.00 175.35 177.39 1nvv h GLU 812 N 0.44 0.07 -0.65 1.68 5.08 -1.95 -0.74 114.58 118.51 1nvv h GLU 812 Ca -0.44 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 1nvv h GLU 812 Cb 1.27 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.51 1nvv h GLU 812 CO 0.52 0.05 0.00 -0.25 -1.00 0.00 0.00 179.01 178.33 1nvv n ASP 813 N -4.31 4.70 -0.26 1.42 8.00 -1.26 -4.62 116.55 120.21 1nvv n ASP 813 Ca 0.20 -2.66 0.17 0.00 0.71 0.00 0.00 54.79 53.21 1nvv n ASP 813 Cb 0.95 -0.62 0.47 0.00 -0.02 0.00 0.00 41.12 41.90 1nvv n ASP 813 CO 0.00 0.00 0.00 0.07 -0.39 0.00 0.00 177.20 176.88 1nvv h LYS 814 N 3.35 0.48 -0.02 -1.24 2.10 -1.24 0.62 116.57 120.62 1nvv h LYS 814 Ca 0.00 -0.03 -0.06 0.00 -2.00 0.00 0.00 60.65 58.56 1nvv h LYS 814 Cb 1.60 -0.11 -0.01 0.00 -0.90 0.00 0.00 32.23 32.81 1nvv h LYS 814 CO 0.35 0.31 -0.26 0.93 -2.00 0.00 0.00 179.45 178.79 1nvv h GLU 815 N 0.49 0.03 0.12 0.07 4.39 -1.85 0.45 114.58 118.28 1nvv h GLU 815 Ca 0.48 -0.01 -0.26 0.00 0.34 0.00 0.00 59.36 59.92 1nvv h GLU 815 Cb 1.08 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.73 1nvv h GLU 815 CO -0.21 0.29 -1.29 0.82 -1.16 0.00 0.00 179.01 177.45 1nvv h ILE 816 N 0.03 1.12 0.00 3.13 2.04 -1.32 -3.32 117.51 119.18 1nvv h ILE 816 Ca 0.00 -2.42 -0.10 0.00 1.00 0.00 0.00 64.86 63.34 1nvv h ILE 816 Cb 0.47 2.80 -0.02 0.00 -0.74 0.00 0.00 36.82 39.33 1nvv h ILE 816 CO 0.03 0.70 -0.88 0.78 0.00 0.00 0.00 178.15 178.79 1nvv h ASN 817 N -0.33 0.00 -0.80 1.72 2.35 -0.94 -3.39 115.58 114.19 1nvv h ASN 817 Ca -0.27 0.00 -0.41 0.00 -0.55 0.00 0.00 56.30 55.07 1nvv h ASN 817 Cb 1.73 0.00 -0.41 0.00 0.05 0.00 0.00 38.32 39.69 1nvv h ASN 817 CO 0.07 0.39 -0.98 -1.20 -1.65 0.00 0.00 177.43 174.06 1nvv n SER 818 N -2.99 3.07 -0.23 5.81 7.64 0.16 -4.18 113.62 122.90 1nvv n SER 818 Ca -0.02 -2.94 0.00 0.00 1.01 0.00 0.00 58.87 56.92 1nvv n SER 818 Cb 0.72 -0.44 0.12 0.00 -1.01 0.00 0.00 64.21 63.60 1nvv n SER 818 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1nvv h PRO 819 N 2.54 0.55 -0.30 1.43 0.13 -1.67 -1.09 132.00 133.59 1nvv h PRO 819 Ca 0.09 -0.03 -0.14 0.00 -0.87 0.00 0.00 66.00 65.05 1nvv h PRO 819 Cb 1.29 -0.12 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 1nvv h PRO 819 CO 0.52 0.37 -0.39 -0.91 -0.23 0.00 0.00 178.00 177.35 1nvv h ASN 820 N 0.57 0.76 -0.32 1.44 2.35 -1.91 -0.70 115.58 117.77 1nvv h ASN 820 Ca 0.33 -0.34 -0.02 0.00 -0.55 0.00 0.00 56.30 55.72 1nvv h ASN 820 Cb 0.33 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.48 1nvv h ASN 820 CO -0.26 1.07 0.13 0.25 -1.65 0.00 0.00 177.43 176.97 1nvv h LEU 821 N 0.59 0.44 -0.99 1.61 5.85 -1.81 -1.65 115.31 119.35 1nvv h LEU 821 Ca 0.05 -0.16 -0.09 0.00 0.84 0.00 0.00 57.88 58.52 1nvv h LEU 821 Cb 0.93 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.83 1nvv h LEU 821 CO 0.08 0.48 -0.23 -0.07 -0.34 0.00 0.00 178.44 178.36 1nvv h LEU 822 N 0.37 0.45 -0.54 2.25 3.38 -1.12 -1.76 115.31 118.34 1nvv h LEU 822 Ca 0.11 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 1nvv h LEU 822 Cb 0.18 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 1nvv h LEU 822 CO -0.01 0.69 0.29 0.11 0.09 0.00 0.00 178.44 179.61 1nvv h LYS 823 N 0.41 0.75 -0.06 1.13 1.57 -0.81 -0.48 116.57 119.08 1nvv h LYS 823 Ca 0.06 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1nvv h LYS 823 Cb 0.63 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.79 1nvv h LYS 823 CO 0.05 0.59 0.04 1.98 -0.57 0.00 0.00 179.45 181.53 1nvv h MET 824 N 0.72 0.08 -0.64 3.15 4.05 -0.82 -1.65 114.93 119.82 1nvv h MET 824 Ca 0.19 -0.01 -0.02 0.00 -0.28 0.00 0.00 59.70 59.58 1nvv h MET 824 Cb 0.06 -0.02 -0.03 0.00 -0.80 0.00 0.00 31.60 30.81 1nvv h MET 824 CO -0.03 0.06 0.32 0.82 0.23 0.00 0.00 176.91 178.31 1nvv h ILE 825 N 0.06 1.21 -0.30 1.77 2.04 -1.22 -2.30 117.51 118.78 1nvv h ILE 825 Ca 0.02 -0.59 -0.05 0.00 1.00 0.00 0.00 64.86 65.25 1nvv h ILE 825 Cb 0.01 0.43 -0.02 0.00 -0.74 0.00 0.00 36.82 36.50 1nvv h ILE 825 CO -0.00 0.24 -0.01 0.03 0.00 0.00 0.00 178.15 178.41 1nvv h ARG 826 N 0.87 0.46 -0.41 2.37 3.08 -0.95 -1.16 114.38 118.65 1nvv h ARG 826 Ca 0.22 -0.10 -0.08 0.00 0.07 0.00 0.00 59.98 60.09 1nvv h ARG 826 Cb 0.10 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 1nvv h ARG 826 CO -0.03 0.50 -0.06 1.25 -1.07 0.00 0.00 179.97 180.57 1nvv h HIS 827 N 0.45 0.84 -0.47 3.04 2.76 -0.98 -1.21 115.15 119.58 1nvv h HIS 827 Ca 0.10 -0.17 -0.01 0.00 -2.20 0.00 0.00 60.37 58.09 1nvv h HIS 827 Cb 0.31 -0.21 -0.02 0.00 1.55 0.00 0.00 27.41 29.04 1nvv h HIS 827 CO 0.01 0.86 0.26 1.15 -1.30 0.00 0.00 177.93 178.92 1nvv h THR 828 N 0.58 1.16 -0.40 6.26 2.02 -0.90 -1.58 112.91 120.05 1nvv h THR 828 Ca 0.11 -0.40 -0.02 0.00 0.77 0.00 0.00 66.41 66.87 1nvv h THR 828 Cb 0.56 0.57 -0.02 0.00 -1.74 0.00 0.00 68.15 67.53 1nvv h THR 828 CO 0.03 0.17 0.17 0.74 0.37 0.00 0.00 175.52 177.00 1nvv h THR 829 N 0.62 1.19 -0.55 3.16 2.02 -1.13 -1.86 112.91 116.36 1nvv h THR 829 Ca 0.17 -0.55 -0.02 0.00 0.77 0.00 0.00 66.41 66.77 1nvv h THR 829 Cb 0.03 0.81 -0.03 0.00 -1.74 0.00 0.00 68.15 67.23 1nvv h THR 829 CO -0.03 0.20 0.27 0.78 0.37 0.00 0.00 175.52 177.11 1nvv h ASN 830 N 0.50 0.69 0.29 4.18 4.21 -1.00 -1.67 115.58 122.79 1nvv h ASN 830 Ca 0.14 -0.06 -0.19 0.00 1.21 0.00 0.00 56.30 57.39 1nvv h ASN 830 Cb 0.16 -0.18 -0.00 0.00 -1.12 0.00 0.00 38.32 37.18 1nvv h ASN 830 CO -0.01 0.59 -0.78 0.25 -1.29 0.00 0.00 177.43 176.18 1nvv h LEU 831 N 0.77 0.48 -0.56 1.61 5.85 -1.05 -1.72 115.31 120.70 1nvv h LEU 831 Ca 0.19 -0.33 -0.07 0.00 0.84 0.00 0.00 57.88 58.51 1nvv h LEU 831 Cb 0.08 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 40.94 1nvv h LEU 831 CO -0.03 1.09 0.08 0.74 -0.34 0.00 0.00 178.44 179.98 1nvv h THR 832 N 0.26 1.26 -0.30 1.05 2.02 -0.91 -1.91 112.91 114.38 1nvv h THR 832 Ca -0.04 -1.00 -0.13 0.00 0.77 0.00 0.00 66.41 66.01 1nvv h THR 832 Cb 1.37 0.81 -0.01 0.00 -1.74 0.00 0.00 68.15 68.58 1nvv h THR 832 CO 0.13 0.36 -0.35 -0.07 0.37 0.00 0.00 175.52 175.96 1nvv h LEU 833 N 0.83 0.70 -0.69 2.58 3.38 -1.28 -2.16 115.31 118.67 1nvv h LEU 833 Ca 0.17 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 1nvv h LEU 833 Cb 0.44 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 1nvv h LEU 833 CO 0.01 0.99 0.37 -0.25 0.09 0.00 0.00 178.44 179.66 1nvv h TRP 834 N 0.56 0.94 -0.61 1.13 7.01 -1.06 0.14 115.95 124.05 1nvv h TRP 834 Ca 0.06 -0.02 -0.02 0.00 2.11 0.00 0.00 58.89 61.02 1nvv h TRP 834 Cb 0.87 -0.30 -0.03 0.00 -2.10 0.00 0.00 29.16 27.60 1nvv h TRP 834 CO 0.04 0.67 0.32 0.74 -2.79 0.00 0.00 178.44 177.42 1nvv h PHE 835 N 0.94 0.86 -0.57 2.65 0.04 -1.16 -0.50 116.94 119.20 1nvv h PHE 835 Ca 0.24 -0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.96 1nvv h PHE 835 Cb 0.04 -0.27 -0.03 0.00 2.20 0.00 0.00 35.95 37.89 1nvv h PHE 835 CO -0.00 0.63 0.26 0.93 -0.60 0.00 0.00 178.31 179.53 1nvv h GLU 836 N 0.84 0.84 -0.46 1.51 5.08 -0.91 -2.48 114.58 118.99 1nvv h GLU 836 Ca 0.21 -0.13 -0.05 0.00 -1.00 0.00 0.00 59.36 58.39 1nvv h GLU 836 Cb 0.07 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.16 1nvv h GLU 836 CO -0.03 0.70 0.08 -0.22 -1.00 0.00 0.00 179.01 178.54 1nvv h LYS 837 N 0.78 0.75 -0.89 2.33 3.64 -0.50 -2.14 116.57 120.55 1nvv h LYS 837 Ca 0.19 -0.20 0.03 0.00 -1.27 0.00 0.00 60.65 59.41 1nvv h LYS 837 Cb 0.15 -0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 31.83 1nvv h LYS 837 CO -0.02 0.76 0.58 0.00 -2.27 0.00 0.00 179.45 178.50 1nvv h ILE 839 N 1.11 0.27 0.00 0.00 2.04 -1.23 -3.25 117.51 116.45 1nvv h ILE 839 Ca 0.35 -0.69 0.00 0.00 1.00 0.00 0.00 64.86 65.52 1nvv h ILE 839 Cb 0.02 0.43 0.00 0.00 -0.74 0.00 0.00 36.82 36.54 1nvv h ILE 839 CO -0.10 0.06 0.00 -0.37 0.00 0.00 0.00 178.15 177.74 1nvv h VAL 840 N -1.05 0.00 -0.01 1.67 -1.51 -1.40 -2.33 116.25 111.62 1nvv h VAL 840 Ca -0.05 -0.50 0.00 0.00 -1.23 0.00 0.00 66.70 64.91 1nvv h VAL 840 Cb 0.49 1.49 0.00 0.00 -2.13 0.00 0.00 31.29 31.14 1nvv h VAL 840 CO 0.08 0.00 -0.13 -0.62 -1.23 0.00 0.00 177.57 175.68 1nvv n GLU 841 N -3.05 0.92 -3.29 5.19 1.02 -0.68 -4.42 120.64 116.33 1nvv n GLU 841 Ca 0.01 -0.42 -0.46 0.00 -0.02 0.00 0.00 57.16 56.26 1nvv n GLU 841 Cb 0.30 -1.49 -0.02 0.00 -0.02 0.00 0.00 31.44 30.22 1nvv n GLU 841 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1nvv s THR 842 N -2.37 5.60 0.23 2.62 2.01 -0.88 -4.90 115.64 117.95 1nvv s THR 842 Ca 0.30 -2.56 -0.06 0.00 0.31 0.00 0.00 61.69 59.68 1nvv s THR 842 Cb 0.20 -4.53 0.14 0.00 0.01 0.00 0.00 72.50 68.33 1nvv s THR 842 CO 0.46 -1.11 1.77 -0.33 -0.69 0.00 0.00 174.62 174.72 1nvv h GLU 843 N 7.67 1.07 -6.48 4.92 5.08 -1.82 -3.39 114.58 121.62 1nvv h GLU 843 Ca 0.13 -0.22 -0.53 0.00 -1.00 0.00 0.00 59.36 57.73 1nvv h GLU 843 Cb 1.01 -0.16 0.03 0.00 0.50 0.00 0.00 28.75 30.13 1nvv h GLU 843 CO 0.83 0.92 0.96 1.21 -1.00 0.00 0.00 179.01 181.93 1nvv s ASN 844 N -6.46 6.61 0.13 1.42 3.84 -1.26 -4.67 114.94 114.55 1nvv s ASN 844 Ca -0.11 2.50 -0.24 0.00 0.21 0.00 0.00 52.86 55.21 1nvv s ASN 844 Cb 0.15 -2.57 -0.03 0.00 -0.55 0.00 0.00 41.25 38.25 1nvv s ASN 844 CO 0.83 -0.86 1.64 0.25 -2.79 0.00 0.00 177.10 176.17 1nvv h LEU 845 N 8.12 -0.68 -0.63 3.21 5.85 -1.86 -0.48 115.31 128.85 1nvv h LEU 845 Ca -0.42 0.10 0.05 0.00 0.84 0.00 0.00 57.88 58.45 1nvv h LEU 845 Cb 1.20 0.29 -0.05 0.00 0.37 0.00 0.00 40.66 42.47 1nvv h LEU 845 CO 0.92 -0.29 0.35 -0.08 -0.34 0.00 0.00 178.44 179.01 1nvv h GLU 846 N -0.32 0.64 -0.53 1.25 4.81 -1.96 -0.19 114.58 118.29 1nvv h GLU 846 Ca 0.08 -0.04 -0.12 0.00 -0.13 0.00 0.00 59.36 59.15 1nvv h GLU 846 Cb 0.43 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.65 1nvv h GLU 846 CO -0.25 0.43 -0.14 0.93 -0.73 0.00 0.00 179.01 179.25 1nvv h GLU 847 N 0.66 1.02 -0.71 1.92 5.08 -1.88 -2.43 114.58 118.25 1nvv h GLU 847 Ca 0.28 -0.39 -0.02 0.00 -1.00 0.00 0.00 59.36 58.22 1nvv h GLU 847 Cb 0.15 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.31 1nvv h GLU 847 CO -0.16 1.08 0.36 -0.09 -1.00 0.00 0.00 179.01 179.19 1nvv h ARG 848 N 0.90 1.00 -0.76 2.33 2.43 -0.60 -0.09 114.38 119.59 1nvv h ARG 848 Ca 0.13 -0.13 -0.01 0.00 -0.81 0.00 0.00 59.98 59.17 1nvv h ARG 848 Cb 0.71 -0.19 -0.04 0.00 -0.42 0.00 0.00 29.97 30.04 1nvv h ARG 848 CO 0.05 0.76 0.44 0.28 -1.51 0.00 0.00 179.97 179.99 1nvv h VAL 849 N 1.00 1.22 -0.33 0.20 2.07 -0.80 0.11 116.25 119.71 1nvv h VAL 849 Ca 0.25 -0.51 -0.06 0.00 0.82 0.00 0.00 66.70 67.19 1nvv h VAL 849 Cb 0.08 0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 30.02 1nvv h VAL 849 CO -0.03 0.24 -0.07 0.00 0.02 0.00 0.00 177.57 177.72 1nvv h ALA 850 N 1.23 1.27 -0.11 1.67 0.00 -0.74 -0.63 119.26 121.95 1nvv h ALA 850 Ca 0.27 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 1nvv h ALA 850 Cb -0.01 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 1nvv h ALA 850 CO -0.05 0.49 -0.09 0.28 0.00 0.00 0.00 179.25 179.88 1nvv h VAL 851 N 0.51 1.35 -0.61 0.00 2.07 -0.17 -1.77 116.25 117.63 1nvv h VAL 851 Ca 0.10 -1.21 0.01 0.00 0.82 0.00 0.00 66.70 66.42 1nvv h VAL 851 Cb 0.44 1.92 -0.03 0.00 -1.52 0.00 0.00 31.29 32.09 1nvv h VAL 851 CO 0.02 0.34 0.40 0.58 0.02 0.00 0.00 177.57 178.94 1nvv h VAL 852 N -0.15 1.16 -0.64 2.57 2.07 -0.55 -2.05 116.25 118.66 1nvv h VAL 852 Ca 0.02 -0.29 0.01 0.00 0.82 0.00 0.00 66.70 67.26 1nvv h VAL 852 Cb 0.59 0.27 -0.03 0.00 -1.52 0.00 0.00 31.29 30.59 1nvv h VAL 852 CO 0.02 0.15 0.41 -1.28 0.02 0.00 0.00 177.57 176.90 1nvv h SER 853 N 0.82 0.71 -0.60 0.57 0.87 -1.12 -0.99 113.55 113.81 1nvv h SER 853 Ca 0.22 -0.01 -0.03 0.00 -1.23 0.00 0.00 61.79 60.74 1nvv h SER 853 Cb -0.09 -0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 61.67 1nvv h SER 853 CO -0.05 0.50 0.27 -0.09 -0.53 0.00 0.00 176.83 176.94 1nvv h ARG 854 N 0.84 0.87 -0.84 2.24 9.65 -0.95 -1.53 114.38 124.65 1nvv h ARG 854 Ca 0.24 -0.14 -0.03 0.00 -1.10 0.00 0.00 59.98 58.95 1nvv h ARG 854 Cb -0.06 -0.15 -0.04 0.00 -1.39 0.00 0.00 29.97 28.33 1nvv h ARG 854 CO -0.07 0.72 0.41 0.82 2.80 0.00 0.00 179.97 184.65 1nvv h ILE 855 N 0.82 1.26 -0.20 1.20 2.04 -0.91 -0.97 117.51 120.75 1nvv h ILE 855 Ca 0.20 -0.73 -0.07 0.00 1.00 0.00 0.00 64.86 65.27 1nvv h ILE 855 Cb 0.15 0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 36.39 1nvv h ILE 855 CO -0.02 0.31 -0.18 0.40 0.00 0.00 0.00 178.15 178.66 1nvv h ILE 856 N 1.20 1.22 -0.30 -0.67 2.04 -0.83 -1.11 117.51 119.07 1nvv h ILE 856 Ca 0.29 -1.01 -0.12 0.00 1.00 0.00 0.00 64.86 65.02 1nvv h ILE 856 Cb 0.12 1.27 -0.01 0.00 -0.74 0.00 0.00 36.82 37.46 1nvv h ILE 856 CO -0.04 0.32 -0.30 -0.33 0.00 0.00 0.00 178.15 177.80 1nvv h GLU 857 N 0.31 0.62 -0.75 2.37 5.08 -0.43 -1.13 114.58 120.65 1nvv h GLU 857 Ca 0.06 -0.27 -0.05 0.00 -1.00 0.00 0.00 59.36 58.09 1nvv h GLU 857 Cb 0.50 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.70 1nvv h GLU 857 CO 0.03 0.85 0.27 0.82 -1.00 0.00 0.00 179.01 179.98 1nvv h ILE 858 N 0.53 1.26 -0.62 3.13 2.04 -0.64 -1.88 117.51 121.32 1nvv h ILE 858 Ca 0.06 -0.85 0.05 0.00 1.00 0.00 0.00 64.86 65.12 1nvv h ILE 858 Cb 0.79 0.39 -0.05 0.00 -0.74 0.00 0.00 36.82 37.21 1nvv h ILE 858 CO 0.06 0.34 0.35 0.25 0.00 0.00 0.00 178.15 179.16 1nvv h LEU 859 N 1.11 0.53 -1.04 1.44 5.85 -0.66 -1.13 115.31 121.42 1nvv h LEU 859 Ca 0.25 0.02 0.04 0.00 0.84 0.00 0.00 57.88 59.03 1nvv h LEU 859 Cb 0.26 -0.08 -0.06 0.00 0.37 0.00 0.00 40.66 41.15 1nvv h LEU 859 CO -0.01 0.35 0.65 -0.61 -0.34 0.00 0.00 178.44 178.48 1nvv h GLN 860 N 0.66 1.20 -0.13 1.25 4.15 -0.45 -1.46 115.11 120.34 1nvv h GLN 860 Ca 0.27 -0.07 -0.17 0.00 0.77 0.00 0.00 58.65 59.44 1nvv h GLN 860 Cb 0.13 -0.27 -0.00 0.00 0.21 0.00 0.00 27.48 27.55 1nvv h GLN 860 CO -0.16 0.80 -0.65 0.28 -1.93 0.00 0.00 178.83 177.17 1nvv h VAL 861 N 1.24 1.35 -0.71 2.39 2.07 -0.77 -2.67 116.25 119.15 1nvv h VAL 861 Ca 0.39 -1.97 0.04 0.00 0.82 0.00 0.00 66.70 65.99 1nvv h VAL 861 Cb 0.02 1.95 -0.05 0.00 -1.52 0.00 0.00 31.29 31.69 1nvv h VAL 861 CO -0.13 0.60 0.43 -0.26 0.02 0.00 0.00 177.57 178.24 1nvv h PHE 862 N 0.35 0.80 -0.64 1.57 0.04 -0.42 -0.89 116.94 117.75 1nvv h PHE 862 Ca -0.01 0.02 -0.06 0.00 2.80 0.00 0.00 57.97 60.72 1nvv h PHE 862 Cb 1.20 -0.26 -0.03 0.00 2.20 0.00 0.00 35.95 39.07 1nvv h PHE 862 CO 0.05 0.44 0.18 0.37 -0.60 0.00 0.00 178.31 178.74 1nvv h GLN 863 N 0.83 1.01 -0.09 1.51 4.15 -1.22 0.11 115.11 121.40 1nvv h GLN 863 Ca 0.29 -0.23 -0.06 0.00 0.77 0.00 0.00 58.65 59.43 1nvv h GLN 863 Cb 0.07 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 27.61 1nvv h GLN 863 CO -0.13 0.90 -0.21 0.93 -1.93 0.00 0.00 178.83 178.39 1nvv h GLU 864 N 0.93 0.16 -0.04 1.69 5.08 -1.05 -2.28 114.58 119.06 1nvv h GLU 864 Ca 0.20 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 1nvv h GLU 864 Cb 0.33 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.56 1nvv h GLU 864 CO -0.00 0.36 0.00 1.28 -1.00 0.00 0.00 179.01 179.65 1nvv n LEU 865 N -4.23 1.45 -2.46 1.33 4.77 -0.40 -4.92 117.00 112.54 1nvv n LEU 865 Ca -0.01 -0.51 -0.20 0.00 -0.03 0.00 0.00 56.01 55.26 1nvv n LEU 865 Cb 0.31 -0.02 0.01 0.00 -2.33 0.00 0.00 43.42 41.39 1nvv n LEU 865 CO 0.38 0.25 -0.14 0.59 -1.33 0.00 0.00 177.39 177.15 1nvv n ASN 866 N 0.14 -5.66 -4.40 -1.43 3.02 -0.54 -4.60 115.26 101.79 1nvv n ASN 866 Ca 0.19 -0.13 -0.45 0.00 -0.03 0.00 0.00 54.58 54.16 1nvv n ASN 866 Cb 0.34 -4.61 -0.01 0.00 -0.61 0.00 0.00 39.78 34.89 1nvv n ASN 866 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1nvv s ASN 867 N -2.39 7.03 0.31 6.41 3.84 0.26 -1.31 114.94 129.09 1nvv s ASN 867 Ca 0.12 -2.98 0.03 0.00 0.21 0.00 0.00 52.86 50.24 1nvv s ASN 867 Cb -0.05 -2.30 0.52 0.00 -0.55 0.00 0.00 41.25 38.86 1nvv s ASN 867 CO 0.15 -0.62 1.83 -0.26 -2.79 0.00 0.00 177.10 175.41 1nvv h PHE 868 N 7.39 0.62 -0.49 0.43 0.04 -1.55 -1.44 116.94 121.94 1nvv h PHE 868 Ca 0.21 -0.07 -0.00 0.00 2.80 0.00 0.00 57.97 60.90 1nvv h PHE 868 Cb 0.93 -0.17 -0.02 0.00 2.20 0.00 0.00 35.95 38.88 1nvv h PHE 868 CO 0.99 0.61 0.30 -0.97 -0.60 0.00 0.00 178.31 178.64 1nvv h ASN 869 N 0.56 0.59 -0.41 2.17 -1.24 -1.57 -0.77 115.58 114.90 1nvv h ASN 869 Ca 0.11 -0.05 -0.01 0.00 0.71 0.00 0.00 56.30 57.07 1nvv h ASN 869 Cb 0.39 -0.15 -0.02 0.00 0.73 0.00 0.00 38.32 39.27 1nvv h ASN 869 CO 0.02 0.46 0.24 1.23 -1.29 0.00 0.00 177.43 178.09 1nvv h GLY 870 N 0.66 0.61 0.55 1.57 0.00 -1.73 -1.44 103.07 103.30 1nvv h GLY 870 Ca 0.18 -0.27 0.06 0.00 0.00 0.00 0.00 47.33 47.30 1nvv h GLY 870 CO -0.03 0.26 0.07 -2.08 0.00 0.00 0.00 176.54 174.76 1nvv h VAL 871 N 0.54 0.81 0.00 4.60 2.07 -0.93 -2.02 116.25 121.32 1nvv h VAL 871 Ca 0.15 -0.07 -0.06 0.00 0.82 0.00 0.00 66.70 67.53 1nvv h VAL 871 Cb 0.03 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 30.39 1nvv h VAL 871 CO -0.03 0.04 -0.31 -0.07 0.02 0.00 0.00 177.57 177.22 1nvv h LEU 872 N 0.20 0.00 -0.63 2.57 3.38 -0.92 -1.78 115.31 118.13 1nvv h LEU 872 Ca 0.18 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.07 1nvv h LEU 872 Cb 0.21 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 1nvv h LEU 872 CO -0.23 0.31 0.10 -0.33 0.09 0.00 0.00 178.44 178.37 1nvv h GLU 873 N 0.00 1.04 -0.17 1.13 5.08 -0.53 0.50 114.58 121.62 1nvv h GLU 873 Ca -0.00 -0.28 -0.04 0.00 -1.00 0.00 0.00 59.36 58.04 1nvv h GLU 873 Cb 0.71 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 1nvv h GLU 873 CO 0.04 0.97 -0.03 0.28 -1.00 0.00 0.00 179.01 179.27 1nvv h VAL 874 N 0.95 1.28 -0.44 3.13 2.07 -1.21 -2.31 116.25 119.72 1nvv h VAL 874 Ca 0.19 -0.98 0.02 0.00 0.82 0.00 0.00 66.70 66.76 1nvv h VAL 874 Cb 0.44 1.58 -0.03 0.00 -1.52 0.00 0.00 31.29 31.76 1nvv h VAL 874 CO 0.01 0.29 0.25 0.58 0.02 0.00 0.00 177.57 178.73 1nvv h VAL 875 N 0.04 1.03 -0.70 2.57 2.07 -1.15 -0.14 116.25 119.97 1nvv h VAL 875 Ca 0.04 -0.17 0.02 0.00 0.82 0.00 0.00 66.70 67.40 1nvv h VAL 875 Cb 0.46 0.47 -0.04 0.00 -1.52 0.00 0.00 31.29 30.67 1nvv h VAL 875 CO 0.02 0.09 0.46 0.28 0.02 0.00 0.00 177.57 178.44 1nvv h SER 876 N 0.51 0.78 -0.20 0.57 0.02 -0.88 -1.04 113.55 113.30 1nvv h SER 876 Ca 0.18 -0.02 -0.04 0.00 -0.84 0.00 0.00 61.79 61.07 1nvv h SER 876 Cb 0.03 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.38 1nvv h SER 876 CO -0.09 0.55 -0.04 0.00 -1.14 0.00 0.00 176.83 176.11 1nvv h ALA 877 N 1.57 0.27 0.00 3.77 0.00 -0.79 -2.21 119.26 121.88 1nvv h ALA 877 Ca 0.26 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1nvv h ALA 877 Cb -0.06 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 1nvv h ALA 877 CO -0.06 0.04 -0.07 0.52 0.00 0.00 0.00 179.25 179.68 1nvv h MET 878 N 0.10 0.00 -0.49 0.00 2.86 -0.61 -2.79 114.93 114.00 1nvv h MET 878 Ca 0.05 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 1nvv h MET 878 Cb 0.48 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.14 1nvv h MET 878 CO 0.02 0.07 0.00 0.09 1.06 0.00 0.00 176.91 178.14 1nvv n ASN 879 N -3.30 3.43 -4.82 1.22 3.02 -0.43 -3.32 115.26 111.06 1nvv n ASN 879 Ca -0.01 -1.96 -0.31 0.00 -0.03 0.00 0.00 54.58 52.26 1nvv n ASN 879 Cb 0.25 -0.32 0.03 0.00 -0.61 0.00 0.00 39.78 39.13 1nvv n ASN 879 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1nvv s SER 880 N -1.15 5.61 0.18 6.41 1.04 -0.85 -4.71 113.70 120.22 1nvv s SER 880 Ca 0.37 1.65 -0.14 0.00 0.48 0.00 0.00 55.95 58.32 1nvv s SER 880 Cb 0.20 -2.50 0.15 0.00 0.10 0.00 0.00 66.02 63.97 1nvv s SER 880 CO 0.28 -1.29 1.73 0.28 0.98 0.00 0.00 173.24 175.21 1nvv h SER 881 N -0.30 0.04 -0.57 7.02 0.02 -1.91 0.22 113.55 118.07 1nvv h SER 881 Ca -0.45 0.07 -0.02 0.00 -0.84 0.00 0.00 61.79 60.55 1nvv h SER 881 Cb 1.21 0.09 -0.03 0.00 0.14 0.00 0.00 62.40 63.81 1nvv h SER 881 CO 0.57 0.06 0.27 -0.65 -1.14 0.00 0.00 176.83 175.94 1nvv h PRO 882 N 0.25 0.85 0.10 3.45 0.11 -1.92 -3.31 132.00 131.53 1nvv h PRO 882 Ca 0.22 -0.11 -0.37 0.00 0.11 0.00 0.00 66.00 65.85 1nvv h PRO 882 Cb 0.27 -0.16 -0.03 0.00 0.11 0.00 0.00 31.00 31.19 1nvv h PRO 882 CO -0.27 0.67 -2.06 0.28 -0.21 0.00 0.00 178.00 176.41 1nvv n VAL 883 N -4.35 1.73 -0.23 3.15 0.31 -0.93 -4.33 118.33 113.69 1nvv n VAL 883 Ca 0.05 -0.65 0.23 0.00 -0.01 0.00 0.00 64.34 63.96 1nvv n VAL 883 Cb 0.14 -1.66 0.58 0.00 -0.91 0.00 0.00 33.84 32.00 1nvv n VAL 883 CO 0.00 0.00 0.00 0.22 -1.32 0.00 0.00 176.83 175.73 1nvv h TYR 884 N 0.06 0.37 -0.05 3.52 3.20 -0.57 -2.04 116.97 121.46 1nvv h TYR 884 Ca -0.44 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.44 1nvv h TYR 884 Cb 2.02 -0.11 0.00 0.00 1.54 0.00 0.00 36.73 40.18 1nvv h TYR 884 CO 0.07 0.08 0.00 2.89 -1.64 0.00 0.00 178.16 179.56 1nvv n ARG 885 N -4.44 1.43 -1.84 1.82 1.85 -1.25 -4.63 116.66 109.61 1nvv n ARG 885 Ca 0.20 -0.64 -0.42 0.00 -1.00 0.00 0.00 57.85 55.99 1nvv n ARG 885 Cb 0.81 -1.44 -0.00 0.00 -1.05 0.00 0.00 32.46 30.78 1nvv n ARG 885 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 1nvv n LEU 886 N -0.20 7.18 -0.36 2.89 4.77 -0.77 -4.78 117.00 125.73 1nvv n LEU 886 Ca 0.19 -4.36 0.06 0.00 -0.03 0.00 0.00 56.01 51.87 1nvv n LEU 886 Cb 0.25 -1.58 0.23 0.00 -2.33 0.00 0.00 43.42 39.99 1nvv n LEU 886 CO 0.15 1.39 1.24 0.44 -1.33 0.00 0.00 177.39 179.28 1nvv h ASP 887 N 5.69 0.94 0.11 -1.43 3.32 -1.88 -1.62 116.42 121.55 1nvv h ASP 887 Ca 0.58 0.04 -0.04 0.00 0.02 0.00 0.00 57.03 57.63 1nvv h ASP 887 Cb 0.56 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.95 1nvv h ASP 887 CO 1.78 0.52 -0.14 0.45 -1.72 0.00 0.00 179.24 180.12 1nvv h HIS 888 N 1.02 0.08 0.07 4.55 3.86 -2.00 -1.61 115.15 121.12 1nvv h HIS 888 Ca 0.49 -0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.68 1nvv h HIS 888 Cb 0.43 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.88 1nvv h HIS 888 CO -0.00 0.23 -0.04 1.15 0.86 0.00 0.00 177.93 180.13 1nvv h THR 889 N 0.08 1.16 0.00 2.45 2.02 -1.70 -3.28 112.91 113.63 1nvv h THR 889 Ca 0.02 -1.45 -0.01 0.00 0.77 0.00 0.00 66.41 65.74 1nvv h THR 889 Cb 0.31 2.01 -0.00 0.00 -1.74 0.00 0.00 68.15 68.72 1nvv h THR 889 CO 0.02 0.32 -0.06 -0.26 0.37 0.00 0.00 175.52 175.91 1nvv h PHE 890 N -0.83 0.00 -0.13 3.16 0.04 -1.38 -2.34 116.94 115.47 1nvv h PHE 890 Ca -0.01 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.71 1nvv h PHE 890 Cb 0.61 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.75 1nvv h PHE 890 CO 0.13 0.06 -0.16 0.93 -0.60 0.00 0.00 178.31 178.68 1nvv h GLU 891 N 0.00 0.21 -0.01 1.51 5.08 -1.35 -2.67 114.58 117.34 1nvv h GLU 891 Ca -0.00 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1nvv h GLU 891 Cb 0.27 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.50 1nvv h GLU 891 CO 0.01 0.37 -0.16 1.04 -1.00 0.00 0.00 179.01 179.26 1nvv n GLN 892 N -4.26 1.13 -2.49 2.33 6.02 -0.88 -4.88 117.38 114.35 1nvv n GLN 892 Ca -0.01 -0.66 -0.42 0.00 -0.01 0.00 0.00 57.00 55.90 1nvv n GLN 892 Cb 0.28 -1.49 -0.03 0.00 1.02 0.00 0.00 30.24 30.02 1nvv n GLN 892 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1nvv s ILE 893 N -2.32 4.13 0.46 5.09 -1.09 -1.01 -4.97 121.20 121.48 1nvv s ILE 893 Ca 0.29 1.59 -0.25 0.00 -2.23 0.00 0.00 60.65 60.05 1nvv s ILE 893 Cb 0.20 -4.02 -0.08 0.00 -1.58 0.00 0.00 42.46 36.98 1nvv s ILE 893 CO 0.45 0.16 1.33 -0.81 -1.23 0.00 0.00 174.94 174.84 1nvv n PRO 894 N 3.57 1.96 -0.32 2.79 -0.04 -1.26 -4.77 135.00 136.93 1nvv n PRO 894 Ca 0.07 0.70 0.14 0.00 -0.04 0.00 0.00 63.50 64.38 1nvv n PRO 894 Cb 0.47 -2.49 0.33 0.00 -0.04 0.00 0.00 33.50 31.77 1nvv n PRO 894 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1nvv h SER 895 N 1.99 0.51 -0.84 3.54 0.87 -1.96 -0.83 113.55 116.83 1nvv h SER 895 Ca -0.49 0.14 0.03 0.00 -1.23 0.00 0.00 61.79 60.24 1nvv h SER 895 Cb 1.29 0.07 -0.05 0.00 -0.44 0.00 0.00 62.40 63.28 1nvv h SER 895 CO 0.59 0.07 0.55 0.08 -0.53 0.00 0.00 176.83 177.60 1nvv h ARG 896 N 0.51 1.02 -0.01 2.24 0.11 -2.00 -2.13 114.38 114.12 1nvv h ARG 896 Ca 0.59 -0.06 -0.18 0.00 0.10 0.00 0.00 59.98 60.43 1nvv h ARG 896 Cb 1.09 -0.23 -0.01 0.00 1.11 0.00 0.00 29.97 31.93 1nvv h ARG 896 CO -0.49 0.67 -0.81 1.96 0.10 0.00 0.00 179.97 181.41 1nvv h GLN 897 N 1.05 0.16 -0.70 0.08 4.20 -1.52 -2.62 115.11 115.76 1nvv h GLN 897 Ca 0.33 -0.16 -0.04 0.00 0.06 0.00 0.00 58.65 58.84 1nvv h GLN 897 Cb 0.02 0.04 -0.03 0.00 0.30 0.00 0.00 27.48 27.81 1nvv h GLN 897 CO -0.10 0.88 0.26 0.87 -0.67 0.00 0.00 178.83 180.08 1nvv h LYS 898 N 0.09 1.05 -0.52 1.46 1.57 -0.98 -1.50 116.57 117.73 1nvv h LYS 898 Ca -0.03 -0.19 -0.11 0.00 -1.87 0.00 0.00 60.65 58.45 1nvv h LYS 898 Cb 1.41 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 33.54 1nvv h LYS 898 CO 0.12 0.87 -0.09 -0.22 -0.57 0.00 0.00 179.45 179.55 1nvv h LYS 899 N 1.02 0.99 -0.21 3.15 3.64 -1.29 -0.12 116.57 123.75 1nvv h LYS 899 Ca 0.23 -0.36 0.00 0.00 -1.27 0.00 0.00 60.65 59.25 1nvv h LYS 899 Cb 0.22 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.97 1nvv h LYS 899 CO -0.02 1.04 0.14 0.82 -2.27 0.00 0.00 179.45 179.16 1nvv h ILE 900 N 0.86 1.06 -0.50 2.00 2.04 -1.08 0.45 117.51 122.34 1nvv h ILE 900 Ca 0.14 -0.11 -0.01 0.00 1.00 0.00 0.00 64.86 65.87 1nvv h ILE 900 Cb 0.65 0.76 -0.02 0.00 -0.74 0.00 0.00 36.82 37.47 1nvv h ILE 900 CO 0.05 0.06 0.26 0.25 0.00 0.00 0.00 178.15 178.76 1nvv h LEU 901 N 0.28 0.63 -0.76 1.44 5.85 -1.16 -2.12 115.31 119.47 1nvv h LEU 901 Ca 0.08 -0.10 -0.02 0.00 0.84 0.00 0.00 57.88 58.67 1nvv h LEU 901 Cb -0.03 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 40.81 1nvv h LEU 901 CO -0.02 0.56 0.39 -0.08 -0.34 0.00 0.00 178.44 178.95 1nvv h GLU 902 N 0.66 1.08 -0.66 1.25 4.57 -0.64 -0.14 114.58 120.71 1nvv h GLU 902 Ca 0.17 -0.14 -0.08 0.00 -1.18 0.00 0.00 59.36 58.13 1nvv h GLU 902 Cb 0.07 -0.20 -0.03 0.00 -0.16 0.00 0.00 28.75 28.43 1nvv h GLU 902 CO -0.03 0.83 0.10 0.93 -1.18 0.00 0.00 179.01 179.66 1nvv h GLU 903 N 1.06 1.11 -0.40 1.92 4.39 -0.76 -0.88 114.58 121.03 1nvv h GLU 903 Ca 0.26 -0.30 -0.04 0.00 0.34 0.00 0.00 59.36 59.63 1nvv h GLU 903 Cb 0.08 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.59 1nvv h GLU 903 CO -0.04 1.02 0.11 0.00 -1.16 0.00 0.00 179.01 178.95 1nvv h ALA 904 N 1.04 0.53 -0.67 3.43 0.00 -1.06 -2.60 119.26 119.93 1nvv h ALA 904 Ca 0.20 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1nvv h ALA 904 Cb 0.46 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 1nvv h ALA 904 CO 0.02 0.19 0.34 1.25 0.00 0.00 0.00 179.25 181.04 1nvv h HIS 905 N 0.51 0.93 0.00 0.00 -0.00 -0.78 -2.08 115.15 113.72 1nvv h HIS 905 Ca 0.13 -0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.47 1nvv h HIS 905 Cb 0.28 -0.30 0.00 0.00 -0.00 0.00 0.00 27.41 27.40 1nvv h HIS 905 CO 0.01 0.67 0.00 0.93 -0.00 0.00 0.00 177.93 179.54 1nvv h GLU 906 N 0.94 0.00 -0.47 5.26 5.08 -0.76 -2.56 114.58 122.07 1nvv h GLU 906 Ca 0.24 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.56 1nvv h GLU 906 Cb 0.07 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 1nvv h GLU 906 CO -0.03 0.00 0.15 -0.07 -1.00 0.00 0.00 179.01 178.06 1nvv h LEU 907 N 0.00 0.62 0.00 1.33 3.38 -1.28 -2.91 115.31 116.44 1nvv h LEU 907 Ca 0.00 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1nvv h LEU 907 Cb 0.09 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.67 1nvv h LEU 907 CO 0.00 0.59 -0.35 0.77 0.09 0.00 0.00 178.44 179.54 1nvv h SER 908 N 0.67 0.00 -4.16 -0.43 4.64 -1.62 -2.53 113.55 110.12 1nvv h SER 908 Ca 0.16 -0.01 -0.54 0.00 -0.47 0.00 0.00 61.79 60.93 1nvv h SER 908 Cb 0.19 0.00 0.16 0.00 -0.31 0.00 0.00 62.40 62.43 1nvv h SER 908 CO -0.01 0.01 0.42 -1.61 -0.87 0.00 0.00 176.83 174.76 1nvv s GLU 909 N -3.25 2.24 -1.36 4.77 2.02 -1.10 -1.31 118.70 120.71 1nvv s GLU 909 Ca 0.05 1.82 -0.04 0.00 0.02 0.00 0.00 54.97 56.82 1nvv s GLU 909 Cb 0.07 -1.84 0.02 0.00 0.10 0.00 0.00 34.13 32.49 1nvv s GLU 909 CO 0.70 -1.77 0.78 -3.47 0.02 0.00 0.00 175.26 171.53 1nvv n ASP 910 N -2.53 -2.19 -3.31 -0.19 2.03 -1.26 -2.29 116.55 106.81 1nvv n ASP 910 Ca 0.14 -0.80 -0.19 0.00 0.52 0.00 0.00 54.79 54.46 1nvv n ASP 910 Cb 0.50 -4.06 0.08 0.00 -0.72 0.00 0.00 41.12 36.92 1nvv n ASP 910 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 1nvv n HIS 911 N -4.39 -2.32 -2.07 -0.67 8.25 -1.23 -3.12 115.22 109.68 1nvv n HIS 911 Ca -0.21 0.91 -0.21 0.00 -0.26 0.00 0.00 57.72 57.95 1nvv n HIS 911 Cb 0.64 -4.82 -0.04 0.00 1.12 0.00 0.00 29.99 26.89 1nvv n HIS 911 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1nvv n TYR 912 N -4.32 -0.58 -0.14 4.41 4.01 -0.42 -4.90 117.16 115.22 1nvv n TYR 912 Ca -0.15 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 57.55 1nvv n TYR 912 Cb 0.61 -3.73 0.03 0.00 -0.31 0.00 0.00 39.34 35.94 1nvv n TYR 912 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 1nvv h LYS 913 N 0.00 0.03 -0.25 -0.72 3.64 -1.47 -0.31 116.57 117.48 1nvv h LYS 913 Ca -0.46 -0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 58.78 1nvv h LYS 913 Cb 1.35 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 33.16 1nvv h LYS 913 CO 0.59 0.02 -0.42 0.87 -2.27 0.00 0.00 179.45 178.24 1nvv h LYS 914 N 0.03 0.61 0.04 1.90 1.57 -1.79 -2.65 116.57 116.29 1nvv h LYS 914 Ca 0.21 -0.32 -0.00 0.00 -1.87 0.00 0.00 60.65 58.67 1nvv h LYS 914 Cb 0.33 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.65 1nvv h LYS 914 CO -0.43 0.92 -0.03 -0.92 -0.57 0.00 0.00 179.45 178.43 1nvv h TYR 915 N 0.50 -0.07 -0.99 -1.35 3.20 -0.92 0.17 116.97 117.52 1nvv h TYR 915 Ca 0.04 -0.00 0.09 0.00 3.14 0.00 0.00 58.73 61.99 1nvv h TYR 915 Cb 0.94 0.02 -0.07 0.00 1.54 0.00 0.00 36.73 39.16 1nvv h TYR 915 CO 0.04 -0.04 0.63 -0.07 -1.64 0.00 0.00 178.16 177.08 1nvv h LEU 916 N -0.07 0.97 -0.32 2.82 3.38 -1.03 0.19 115.31 121.25 1nvv h LEU 916 Ca -0.00 0.03 -0.11 0.00 0.09 0.00 0.00 57.88 57.89 1nvv h LEU 916 Cb 0.06 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 1nvv h LEU 916 CO 0.00 0.58 -0.22 0.00 0.09 0.00 0.00 178.44 178.89 1nvv h ALA 917 N 1.48 0.45 -0.32 1.53 0.00 -1.24 -2.69 119.26 118.47 1nvv h ALA 917 Ca 0.45 -0.37 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1nvv h ALA 917 Cb 0.29 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1nvv h ALA 917 CO -0.21 0.42 0.10 -0.22 0.00 0.00 0.00 179.25 179.33 1nvv h LYS 918 N 0.47 0.50 -1.00 0.00 1.63 -0.01 -2.75 116.57 115.41 1nvv h LYS 918 Ca 0.06 -0.11 0.03 0.00 -0.85 0.00 0.00 60.65 59.79 1nvv h LYS 918 Cb 0.77 -0.07 -0.06 0.00 -0.60 0.00 0.00 32.23 32.27 1nvv h LYS 918 CO 0.06 0.54 0.66 1.25 -3.45 0.00 0.00 179.45 178.50 1nvv h LEU 919 N 0.36 1.10 -0.33 5.20 5.85 -0.66 -1.29 115.31 125.55 1nvv h LEU 919 Ca 0.10 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.81 1nvv h LEU 919 Cb 0.25 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.02 1nvv h LEU 919 CO -0.00 0.76 0.00 0.54 -0.34 0.00 0.00 178.44 179.40 1nvv n ARG 920 N -4.44 0.13 -0.01 1.25 1.74 -1.02 -3.53 116.66 110.79 1nvv n ARG 920 Ca 0.13 0.30 0.08 0.00 -0.77 0.00 0.00 57.85 57.59 1nvv n ARG 920 Cb 0.08 -1.72 -0.12 0.00 -1.02 0.00 0.00 32.46 29.67 1nvv n ARG 920 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1nvv n SER 921 N -1.96 1.28 -4.76 0.55 3.41 -0.54 -5.03 113.62 106.57 1nvv n SER 921 Ca 0.04 -0.05 -0.29 0.00 -0.26 0.00 0.00 58.87 58.31 1nvv n SER 921 Cb 0.26 1.70 0.13 0.00 -0.26 0.00 0.00 64.21 66.03 1nvv n SER 921 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 1nvv s ILE 922 N -3.08 1.99 -0.36 -1.33 -5.25 -0.87 -5.03 121.20 107.27 1nvv s ILE 922 Ca -0.05 0.00 -0.10 0.00 -0.99 0.00 0.00 60.65 59.51 1nvv s ILE 922 Cb 0.10 -2.78 0.02 0.00 2.95 0.00 0.00 42.46 42.75 1nvv s ILE 922 CO 0.67 0.00 0.18 0.21 -1.79 0.00 0.00 174.94 174.21 1nvv s ASN 923 N -4.13 5.61 1.18 4.36 2.47 -1.26 -5.07 114.94 118.10 1nvv s ASN 923 Ca 0.64 -0.95 -0.13 0.00 0.42 0.00 0.00 52.86 52.84 1nvv s ASN 923 Cb -0.14 -1.99 0.29 0.00 -1.45 0.00 0.00 41.25 37.96 1nvv s ASN 923 CO 0.53 -0.34 0.97 -0.81 -3.72 0.00 0.00 177.10 173.73 1nvv n PRO 924 N 4.96 -2.47 -1.67 0.43 -0.04 -1.26 -4.78 135.00 130.17 1nvv n PRO 924 Ca -0.12 -0.69 -0.35 0.00 -0.04 0.00 0.00 63.50 62.30 1nvv n PRO 924 Cb 0.46 -2.15 0.07 0.00 -0.04 0.00 0.00 33.50 31.84 1nvv n PRO 924 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 1nvv s PRO 925 N -4.35 2.50 0.20 0.54 0.04 -1.26 -5.10 135.00 127.56 1nvv s PRO 925 Ca 0.68 1.75 -0.16 0.00 0.04 0.00 0.00 61.00 63.31 1nvv s PRO 925 Cb -0.25 -1.88 0.02 0.00 0.04 0.00 0.00 34.50 32.43 1nvv s PRO 925 CO 0.65 -1.56 0.51 0.00 0.04 0.00 0.00 177.00 176.65 1nvv s VAL 927 N -3.90 1.62 0.91 0.00 1.01 -0.43 -4.96 120.40 114.66 1nvv s VAL 927 Ca 0.11 -2.18 -0.11 0.00 0.00 0.00 0.00 61.98 59.80 1nvv s VAL 927 Cb -0.01 -2.18 0.14 0.00 0.00 0.00 0.00 36.38 34.33 1nvv s VAL 927 CO -0.01 -0.72 1.10 -2.16 0.00 0.00 0.00 175.10 173.31 1nvv s PRO 928 N 0.88 1.11 -0.26 2.72 0.04 -1.26 -1.59 135.00 136.63 1nvv s PRO 928 Ca 0.13 1.11 -0.25 0.00 0.04 0.00 0.00 61.00 62.03 1nvv s PRO 928 Cb -0.21 -1.77 -0.00 0.00 0.04 0.00 0.00 34.50 32.56 1nvv s PRO 928 CO -0.11 -2.43 0.83 0.12 0.04 0.00 0.00 177.00 175.46 1nvv s PHE 929 N -2.78 3.28 0.16 0.56 5.36 -1.26 -4.18 117.98 119.13 1nvv s PHE 929 Ca 0.65 1.08 0.20 0.00 -0.96 0.00 0.00 56.93 57.90 1nvv s PHE 929 Cb -0.20 -3.11 0.74 0.00 -0.34 0.00 0.00 43.02 40.11 1nvv s PHE 929 CO 0.58 -0.45 1.76 0.35 -1.46 0.00 0.00 175.22 176.00 1nvv h PHE 930 N 7.77 0.00 -0.77 10.12 3.04 -1.99 -3.33 116.94 131.79 1nvv h PHE 930 Ca -0.23 0.00 0.18 0.00 3.98 0.00 0.00 57.97 61.90 1nvv h PHE 930 Cb 1.09 0.00 -0.13 0.00 2.56 0.00 0.00 35.95 39.47 1nvv h PHE 930 CO 0.76 0.33 0.07 0.78 -2.02 0.00 0.00 178.31 178.23 1nvv h GLY 931 N 2.04 0.95 0.62 2.40 0.00 -2.00 -1.21 103.07 105.86 1nvv h GLY 931 Ca -0.00 0.06 0.05 0.00 0.00 0.00 0.00 47.33 47.44 1nvv h GLY 931 CO 0.04 -0.28 0.16 -2.22 0.00 0.00 0.00 176.54 174.24 1nvv h ILE 932 N 0.15 0.87 -0.97 2.60 1.08 -2.01 -2.11 117.51 117.12 1nvv h ILE 932 Ca 0.43 -0.11 0.01 0.00 -0.39 0.00 0.00 64.86 64.80 1nvv h ILE 932 Cb 0.78 0.51 -0.05 0.00 -3.07 0.00 0.00 36.82 34.99 1nvv h ILE 932 CO -0.63 0.06 0.63 1.88 -0.69 0.00 0.00 178.15 179.40 1nvv h TYR 933 N 0.33 1.22 -0.42 1.37 0.05 -1.45 -2.08 116.97 115.99 1nvv h TYR 933 Ca 0.20 0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.99 1nvv h TYR 933 Cb 0.19 -0.41 -0.02 0.00 1.01 0.00 0.00 36.73 37.50 1nvv h TYR 933 CO -0.15 0.78 0.21 -0.07 -1.05 0.00 0.00 178.16 177.87 1nvv h LEU 934 N 1.31 0.55 -0.73 3.88 3.38 -0.96 -0.89 115.31 121.84 1nvv h LEU 934 Ca 0.35 -0.12 -0.06 0.00 0.09 0.00 0.00 57.88 58.14 1nvv h LEU 934 Cb -0.14 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.44 1nvv h LEU 934 CO -0.08 0.52 0.24 0.74 0.09 0.00 0.00 178.44 179.95 1nvv h THR 935 N 0.54 1.26 -0.19 0.22 2.02 -1.14 -1.59 112.91 114.02 1nvv h THR 935 Ca 0.14 -0.88 -0.13 0.00 0.77 0.00 0.00 66.41 66.31 1nvv h THR 935 Cb 0.11 0.45 -0.01 0.00 -1.74 0.00 0.00 68.15 66.96 1nvv h THR 935 CO -0.02 0.35 -0.44 0.78 0.37 0.00 0.00 175.52 176.56 1nvv h ASN 936 N 1.08 0.51 -0.13 4.18 2.35 -1.04 -1.93 115.58 120.59 1nvv h ASN 936 Ca 0.24 -0.23 -0.04 0.00 -0.55 0.00 0.00 56.30 55.71 1nvv h ASN 936 Cb 0.29 -0.14 -0.00 0.00 0.05 0.00 0.00 38.32 38.51 1nvv h ASN 936 CO -0.01 0.88 -0.09 0.40 -1.65 0.00 0.00 177.43 176.96 1nvv h ILE 937 N 0.38 1.33 -0.38 2.81 2.04 -1.02 -1.53 117.51 121.15 1nvv h ILE 937 Ca 0.03 -1.19 0.04 0.00 1.00 0.00 0.00 64.86 64.73 1nvv h ILE 937 Cb 0.93 1.84 -0.04 0.00 -0.74 0.00 0.00 36.82 38.81 1nvv h ILE 937 CO 0.08 0.35 0.16 0.25 0.00 0.00 0.00 178.15 178.99 1nvv h LEU 938 N -0.07 0.21 -0.45 1.44 5.85 -1.23 -0.04 115.31 121.01 1nvv h LEU 938 Ca 0.03 0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.71 1nvv h LEU 938 Cb 0.59 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.60 1nvv h LEU 938 CO 0.03 0.16 0.04 0.11 -0.34 0.00 0.00 178.44 178.43 1nvv h LYS 939 N 0.34 0.77 -0.75 1.25 1.57 -1.34 -1.36 116.57 117.05 1nvv h LYS 939 Ca 0.17 -0.23 0.04 0.00 -1.87 0.00 0.00 60.65 58.76 1nvv h LYS 939 Cb 0.12 -0.08 -0.05 0.00 0.08 0.00 0.00 32.23 32.30 1nvv h LYS 939 CO -0.15 0.82 0.47 1.15 -0.57 0.00 0.00 179.45 181.17 1nvv h THR 940 N 0.63 1.09 -0.59 -0.16 2.02 -0.91 0.20 112.91 115.19 1nvv h THR 940 Ca 0.13 -0.31 -0.10 0.00 0.77 0.00 0.00 66.41 66.90 1nvv h THR 940 Cb 0.44 0.10 -0.02 0.00 -1.74 0.00 0.00 68.15 66.93 1nvv h THR 940 CO 0.02 0.17 -0.02 -0.33 0.37 0.00 0.00 175.52 175.72 1nvv h GLU 941 N 0.91 1.05 -0.25 6.66 4.39 -0.70 -3.16 114.58 123.48 1nvv h GLU 941 Ca 0.31 -0.34 0.00 0.00 0.34 0.00 0.00 59.36 59.67 1nvv h GLU 941 Cb 0.05 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 28.60 1nvv h GLU 941 CO -0.12 1.04 0.00 -0.85 -1.16 0.00 0.00 179.01 177.91 1nvv n GLU 942 N -4.17 2.33 -0.16 2.33 0.28 -0.54 -4.14 120.64 116.57 1nvv n GLU 942 Ca 0.03 -2.09 0.09 0.00 -0.16 0.00 0.00 57.16 55.02 1nvv n GLU 942 Cb 0.36 -1.47 0.17 0.00 1.43 0.00 0.00 31.44 31.93 1nvv n GLU 942 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1nvv n GLY 943 N 1.36 1.66 2.91 -1.84 0.00 0.68 -4.94 105.19 105.03 1nvv n GLY 943 Ca 0.17 -0.57 -0.16 0.00 0.00 0.00 0.00 46.02 45.45 1nvv n GLY 943 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1nvv s ASN 944 N -1.22 0.58 0.48 1.61 0.01 -1.20 -5.03 114.94 110.17 1nvv s ASN 944 Ca 0.31 -0.08 -0.21 0.00 -0.71 0.00 0.00 52.86 52.16 1nvv s ASN 944 Cb 0.18 -0.15 -0.07 0.00 0.41 0.00 0.00 41.25 41.61 1nvv s ASN 944 CO 0.24 0.01 1.10 -2.16 -1.51 0.00 0.00 177.10 174.79 1nvv s PRO 945 N 0.28 3.72 0.36 -0.60 0.04 -1.26 -4.90 135.00 132.63 1nvv s PRO 945 Ca -0.03 1.58 0.14 0.00 0.04 0.00 0.00 61.00 62.73 1nvv s PRO 945 Cb -0.06 -2.24 0.68 0.00 0.04 0.00 0.00 34.50 32.92 1nvv s PRO 945 CO -0.00 -0.54 1.78 1.05 0.04 0.00 0.00 177.00 179.33 1nvv h GLU 946 N 1.76 0.00 -4.76 4.56 4.11 -1.93 -3.44 114.58 114.88 1nvv h GLU 946 Ca -0.49 0.00 -0.28 0.00 0.07 0.00 0.00 59.36 58.66 1nvv h GLU 946 Cb 1.24 0.00 -0.18 0.00 0.50 0.00 0.00 28.75 30.31 1nvv h GLU 946 CO 0.59 0.41 -0.72 0.14 0.07 0.00 0.00 179.01 179.50 1nvv s VAL 947 N -3.98 0.76 -0.07 -1.06 -7.23 -1.26 -1.38 120.40 106.17 1nvv s VAL 947 Ca -0.02 -1.59 0.03 0.00 -1.81 0.00 0.00 61.98 58.59 1nvv s VAL 947 Cb 0.13 -1.27 -0.02 0.00 0.56 0.00 0.00 36.38 35.78 1nvv s VAL 947 CO 0.72 -0.61 -0.16 -0.76 -0.31 0.00 0.00 175.10 173.98 1nvv s LEU 948 N -2.41 2.61 -0.15 1.32 1.43 0.17 -4.81 118.68 116.83 1nvv s LEU 948 Ca 0.03 -0.28 -0.08 0.00 -1.03 0.00 0.00 54.13 52.77 1nvv s LEU 948 Cb -0.02 -1.53 -0.04 0.00 0.03 0.00 0.00 46.19 44.62 1nvv s LEU 948 CO -0.01 0.28 0.13 -0.54 0.23 0.00 0.00 176.35 176.44 1nvv s LYS 949 N -0.37 3.69 -0.17 1.70 -0.14 -1.26 -0.07 119.74 123.12 1nvv s LYS 949 Ca 0.03 -0.17 -0.04 0.00 -1.36 0.00 0.00 55.97 54.43 1nvv s LYS 949 Cb -0.12 -3.26 0.09 0.00 -1.68 0.00 0.00 37.83 32.85 1nvv s LYS 949 CO 0.02 0.61 0.26 1.03 -0.76 0.00 0.00 175.35 176.51 1nvv s ARG 950 N -0.53 0.19 -1.39 1.68 1.81 0.03 -4.89 118.95 115.86 1nvv s ARG 950 Ca 0.12 0.50 -0.08 0.00 -1.72 0.00 0.00 55.73 54.55 1nvv s ARG 950 Cb -0.12 -0.57 0.03 0.00 -0.45 0.00 0.00 34.95 33.84 1nvv s ARG 950 CO 0.02 -0.48 1.05 0.72 -0.68 0.00 0.00 175.30 175.93 1nvv n HIS 951 N 5.34 -2.52 0.00 -0.53 8.25 -1.26 -0.81 115.22 123.69 1nvv n HIS 951 Ca -0.05 0.96 0.00 0.00 -0.26 0.00 0.00 57.72 58.36 1nvv n HIS 951 Cb 0.50 -4.65 0.00 0.00 1.12 0.00 0.00 29.99 26.95 1nvv n HIS 951 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1nvv n GLY 952 N -1.75 2.88 3.74 -1.41 0.00 -1.26 -4.98 105.19 102.40 1nvv n GLY 952 Ca -0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.56 1nvv n GLY 952 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nvv s LYS 953 N 0.00 4.69 -0.49 1.61 -0.14 0.01 -5.02 119.74 120.39 1nvv s LYS 953 Ca 0.00 1.37 -0.16 0.00 -1.36 0.00 0.00 55.97 55.82 1nvv s LYS 953 Cb 0.00 -3.35 0.08 0.00 -1.68 0.00 0.00 37.83 32.88 1nvv s LYS 953 CO 0.00 0.32 0.45 -2.00 -0.76 0.00 0.00 175.35 173.35 1nvv s GLU 954 N -0.34 3.00 0.04 1.68 2.12 -1.26 -0.79 118.70 123.16 1nvv s GLU 954 Ca 0.43 -1.34 -0.04 0.00 0.36 0.00 0.00 54.97 54.38 1nvv s GLU 954 Cb -0.23 -4.16 -0.05 0.00 0.26 0.00 0.00 34.13 29.95 1nvv s GLU 954 CO 0.29 -1.11 0.27 -0.51 -0.54 0.00 0.00 175.26 173.66 1nvv s LEU 955 N 1.79 4.35 0.02 2.70 1.43 0.89 -4.88 118.68 124.98 1nvv s LEU 955 Ca 0.05 0.48 -0.30 0.00 -1.03 0.00 0.00 54.13 53.33 1nvv s LEU 955 Cb -0.24 -2.86 -0.07 0.00 0.03 0.00 0.00 46.19 43.05 1nvv s LEU 955 CO 0.07 0.20 1.54 -0.63 0.23 0.00 0.00 176.35 177.75 1nvv s ILE 956 N -1.42 3.43 -1.02 -0.59 -1.09 0.50 -0.66 121.20 120.35 1nvv s ILE 956 Ca 0.32 0.80 -0.23 0.00 -2.23 0.00 0.00 60.65 59.31 1nvv s ILE 956 Cb -0.13 -3.51 0.03 0.00 -1.58 0.00 0.00 42.46 37.27 1nvv s ILE 956 CO 0.21 -0.01 1.56 0.21 -1.23 0.00 0.00 174.94 175.67 1nvv s ASN 957 N 2.30 6.27 0.47 3.58 2.47 -0.48 -2.12 114.94 127.43 1nvv s ASN 957 Ca 0.69 -1.37 0.27 0.00 0.42 0.00 0.00 52.86 52.87 1nvv s ASN 957 Cb -0.35 -2.57 0.91 0.00 -1.45 0.00 0.00 41.25 37.79 1nvv s ASN 957 CO 0.29 -1.72 1.81 0.15 -3.72 0.00 0.00 177.10 173.91 1nvv h PHE 958 N 9.94 0.00 -0.21 0.43 3.57 -1.67 -3.08 116.94 125.92 1nvv h PHE 958 Ca 0.19 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.61 1nvv h PHE 958 Cb 1.00 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.73 1nvv h PHE 958 CO 1.28 0.11 -0.24 0.66 -2.23 0.00 0.00 178.31 177.89 1nvv h SER 959 N 0.00 0.38 -0.87 0.41 4.64 -1.41 -0.72 113.55 115.98 1nvv h SER 959 Ca -0.00 -0.12 -0.02 0.00 -0.47 0.00 0.00 61.79 61.18 1nvv h SER 959 Cb 0.76 -0.10 -0.04 0.00 -0.31 0.00 0.00 62.40 62.70 1nvv h SER 959 CO 0.01 0.63 0.45 0.50 -0.87 0.00 0.00 176.83 177.55 1nvv h LYS 960 N 0.35 1.24 -0.28 4.77 3.64 -1.83 -2.10 116.57 122.35 1nvv h LYS 960 Ca 0.05 -0.16 -0.18 0.00 -1.27 0.00 0.00 60.65 59.09 1nvv h LYS 960 Cb 0.61 -0.23 -0.00 0.00 -0.41 0.00 0.00 32.23 32.19 1nvv h LYS 960 CO 0.04 0.93 -0.53 0.00 -2.27 0.00 0.00 179.45 177.61 1nvv h ARG 961 N 1.23 0.82 -0.39 1.90 -0.00 -1.53 -2.56 114.38 113.87 1nvv h ARG 961 Ca 0.30 -0.51 -0.01 0.00 -0.50 0.00 0.00 59.98 59.26 1nvv h ARG 961 Cb 0.07 0.06 -0.02 0.00 0.00 0.00 0.00 29.97 30.08 1nvv h ARG 961 CO -0.04 1.15 0.18 0.00 0.00 0.00 0.00 179.97 181.25 1nvv h ARG 962 N 0.63 0.53 -0.25 0.04 3.08 -0.84 -0.74 114.38 116.83 1nvv h ARG 962 Ca 0.02 -0.06 -0.17 0.00 0.07 0.00 0.00 59.98 59.84 1nvv h ARG 962 Cb 1.13 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 31.07 1nvv h ARG 962 CO 0.12 0.42 -0.50 0.87 -1.07 0.00 0.00 179.97 179.80 1nvv h LYS 963 N 0.54 0.79 -0.58 0.04 1.57 -1.21 -0.65 116.57 117.07 1nvv h LYS 963 Ca 0.14 -0.51 -0.11 0.00 -1.87 0.00 0.00 60.65 58.30 1nvv h LYS 963 Cb 0.07 0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.42 1nvv h LYS 963 CO -0.02 1.14 -0.05 0.28 -0.57 0.00 0.00 179.45 180.23 1nvv h VAL 964 N 0.54 1.27 0.00 0.50 2.07 -1.08 -2.65 116.25 116.90 1nvv h VAL 964 Ca 0.01 -1.21 -0.07 0.00 0.82 0.00 0.00 66.70 66.25 1nvv h VAL 964 Cb 1.11 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 31.75 1nvv h VAL 964 CO 0.11 0.43 -0.34 0.00 0.02 0.00 0.00 177.57 177.80 1nvv h ALA 965 N 0.96 1.30 -0.51 1.67 0.00 -1.10 -0.93 119.26 120.65 1nvv h ALA 965 Ca 0.16 -0.31 -0.08 0.00 0.00 0.00 0.00 54.91 54.68 1nvv h ALA 965 Cb 0.62 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1nvv h ALA 965 CO 0.04 0.42 0.02 1.49 0.00 0.00 0.00 179.25 181.22 1nvv h GLU 966 N 0.00 0.89 -0.13 0.00 4.22 -0.77 0.91 114.58 119.70 1nvv h GLU 966 Ca -0.00 -0.27 -0.03 0.00 0.08 0.00 0.00 59.36 59.13 1nvv h GLU 966 Cb 0.65 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.81 1nvv h GLU 966 CO 0.04 0.91 -0.04 0.82 -2.18 0.00 0.00 179.01 178.56 1nvv h ILE 967 N 0.76 1.30 -0.00 2.32 2.04 -1.13 -1.94 117.51 120.85 1nvv h ILE 967 Ca 0.15 -1.00 -0.03 0.00 1.00 0.00 0.00 64.86 64.97 1nvv h ILE 967 Cb 0.50 1.71 -0.00 0.00 -0.74 0.00 0.00 36.82 38.28 1nvv h ILE 967 CO 0.02 0.29 -0.14 0.71 0.00 0.00 0.00 178.15 179.03 1nvv h THR 968 N -0.07 1.11 -0.34 -0.27 1.35 -1.08 -1.60 112.91 112.00 1nvv h THR 968 Ca 0.03 -0.50 -0.10 0.00 -0.55 0.00 0.00 66.41 65.28 1nvv h THR 968 Cb 0.47 1.26 -0.01 0.00 -1.73 0.00 0.00 68.15 68.14 1nvv h THR 968 CO 0.01 0.14 -0.22 1.23 -0.25 0.00 0.00 175.52 176.44 1nvv h GLY 969 N 0.44 0.71 0.88 5.82 0.00 -0.55 -1.69 103.07 108.69 1nvv h GLY 969 Ca 0.00 -0.59 -0.04 0.00 0.00 0.00 0.00 47.33 46.70 1nvv h GLY 969 CO 0.02 0.54 0.04 0.83 0.00 0.00 0.00 176.54 177.97 1nvv h GLU 970 N 0.58 0.49 -0.43 4.80 5.08 -0.52 -1.47 114.58 123.12 1nvv h GLU 970 Ca 0.08 -0.14 0.06 0.00 -1.00 0.00 0.00 59.36 58.37 1nvv h GLU 970 Cb 0.69 -0.05 -0.06 0.00 0.50 0.00 0.00 28.75 29.83 1nvv h GLU 970 CO 0.05 0.61 0.10 0.82 -1.00 0.00 0.00 179.01 179.59 1nvv h ILE 971 N 0.31 0.79 -0.45 3.13 2.04 -1.27 -2.18 117.51 119.88 1nvv h ILE 971 Ca 0.09 -0.08 -0.06 0.00 1.00 0.00 0.00 64.86 65.81 1nvv h ILE 971 Cb 0.36 0.53 -0.02 0.00 -0.74 0.00 0.00 36.82 36.95 1nvv h ILE 971 CO 0.01 0.04 0.03 1.56 0.00 0.00 0.00 178.15 179.79 1nvv h GLN 972 N 0.24 0.71 -0.83 2.37 4.20 -1.10 -2.62 115.11 118.08 1nvv h GLN 972 Ca 0.21 -0.17 0.04 0.00 0.06 0.00 0.00 58.65 58.79 1nvv h GLN 972 Cb 0.24 -0.10 -0.05 0.00 0.30 0.00 0.00 27.48 27.88 1nvv h GLN 972 CO -0.26 0.71 0.55 0.37 -0.67 0.00 0.00 178.83 179.53 1nvv h GLN 973 N 0.68 0.99 -0.00 1.46 -0.00 -0.63 -0.25 115.11 117.36 1nvv h GLN 973 Ca 0.14 -0.06 0.00 0.00 -0.00 0.00 0.00 58.65 58.73 1nvv h GLN 973 Cb 0.37 -0.22 0.00 0.00 0.00 0.00 0.00 27.48 27.63 1nvv h GLN 973 CO 0.01 0.65 -0.08 0.66 0.00 0.00 0.00 178.83 180.07 1nvv n TYR 974 N -4.45 0.00 1.17 3.99 4.01 -1.02 -3.42 117.16 117.44 1nvv n TYR 974 Ca 0.11 0.00 0.13 0.00 -0.16 0.00 0.00 57.90 57.98 1nvv n TYR 974 Cb 0.13 -0.24 0.39 0.00 -0.31 0.00 0.00 39.34 39.30 1nvv n TYR 974 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 1nvv n GLN 975 N -1.14 0.45 0.09 -0.72 6.02 -0.11 -4.36 117.38 117.61 1nvv n GLN 975 Ca 0.14 -0.24 -0.22 0.00 -0.01 0.00 0.00 57.00 56.67 1nvv n GLN 975 Cb 0.27 -1.50 -0.13 0.00 1.02 0.00 0.00 30.24 29.90 1nvv n GLN 975 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 177.06 175.14 1nvv h ASN 976 N 0.58 0.80 -3.13 1.08 2.35 -1.57 -3.46 115.58 112.24 1nvv h ASN 976 Ca 0.00 -0.85 -0.57 0.00 -0.55 0.00 0.00 56.30 54.33 1nvv h ASN 976 Cb 0.48 -0.25 -0.06 0.00 0.05 0.00 0.00 38.32 38.54 1nvv h ASN 976 CO 0.00 1.57 0.86 -1.10 -1.65 0.00 0.00 177.43 177.11 1nvv s GLN 977 N -2.89 4.15 0.41 0.81 1.11 -1.26 -5.04 119.66 116.95 1nvv s GLN 977 Ca -0.10 1.32 -0.09 0.00 0.01 0.00 0.00 55.36 56.49 1nvv s GLN 977 Cb 0.05 -3.73 -0.06 0.00 -1.01 0.00 0.00 33.01 28.26 1nvv s GLN 977 CO 0.91 -0.79 0.75 -1.25 0.01 0.00 0.00 175.29 174.92 1nvv s PRO 978 N 3.53 3.72 0.19 2.91 0.04 -1.26 -4.70 135.00 139.44 1nvv s PRO 978 Ca 0.48 0.38 -0.28 0.00 0.04 0.00 0.00 61.00 61.62 1nvv s PRO 978 Cb -0.16 -2.41 -0.08 0.00 0.04 0.00 0.00 34.50 31.89 1nvv s PRO 978 CO 0.13 -0.04 0.86 0.71 0.04 0.00 0.00 177.00 178.69 1nvv s TYR 979 N -2.41 3.93 -1.17 0.56 2.02 -1.26 -4.71 117.35 114.31 1nvv s TYR 979 Ca 0.50 1.77 -0.08 0.00 -0.37 0.00 0.00 57.07 58.88 1nvv s TYR 979 Cb -0.10 -2.88 0.24 0.00 -0.40 0.00 0.00 41.96 38.82 1nvv s TYR 979 CO 0.34 0.47 1.54 0.00 -1.57 0.00 0.00 175.55 176.32 1nvv s LEU 981 N -1.04 2.10 0.04 0.00 1.43 -1.26 -4.38 118.68 115.57 1nvv s LEU 981 Ca 0.36 -0.22 -0.24 0.00 -1.03 0.00 0.00 54.13 53.00 1nvv s LEU 981 Cb 0.03 -0.03 -0.06 0.00 0.03 0.00 0.00 46.19 46.16 1nvv s LEU 981 CO 0.03 -0.10 0.73 -0.13 0.23 0.00 0.00 176.35 177.11 1nvv s ARG 982 N -0.61 4.46 0.36 1.70 0.52 -1.26 -5.05 118.95 119.07 1nvv s ARG 982 Ca -0.05 1.00 -0.25 0.00 -0.52 0.00 0.00 55.73 55.91 1nvv s ARG 982 Cb -0.04 -3.35 -0.09 0.00 0.52 0.00 0.00 34.95 31.98 1nvv s ARG 982 CO -0.00 0.32 1.02 0.08 0.02 0.00 0.00 175.30 176.74 1nvv s VAL 983 N -0.16 3.86 -0.38 3.52 1.01 -1.26 -4.93 120.40 122.05 1nvv s VAL 983 Ca 0.37 1.51 0.04 0.00 0.00 0.00 0.00 61.98 63.90 1nvv s VAL 983 Cb -0.20 -3.83 0.11 0.00 0.00 0.00 0.00 36.38 32.46 1nvv s VAL 983 CO 0.22 0.10 0.10 -0.70 0.00 0.00 0.00 175.10 174.82 1nvv s GLU 984 N -2.21 1.52 0.18 2.72 2.56 -1.26 -5.03 118.70 117.18 1nvv s GLU 984 Ca 0.53 -1.97 -0.21 0.00 0.00 0.00 0.00 54.97 53.32 1nvv s GLU 984 Cb -0.22 -3.12 0.09 0.00 2.00 0.00 0.00 34.13 32.89 1nvv s GLU 984 CO 0.28 -0.98 1.41 0.43 -0.56 0.00 0.00 175.26 175.83 1nvv n SER 985 N 4.05 -0.76 -0.28 -1.70 7.64 -1.26 -1.20 113.62 120.11 1nvv n SER 985 Ca 0.04 1.60 -0.05 0.00 1.01 0.00 0.00 58.87 61.47 1nvv n SER 985 Cb 0.40 -0.29 0.06 0.00 -1.01 0.00 0.00 64.21 63.36 1nvv n SER 985 CO 0.00 0.00 0.00 -2.24 -3.01 0.00 0.00 175.04 169.79 1nvv h ASP 986 N 0.00 0.96 -0.40 6.43 3.04 -1.99 -0.48 116.42 123.98 1nvv h ASP 986 Ca 0.24 -0.10 -0.11 0.00 -3.24 0.00 0.00 57.03 53.82 1nvv h ASP 986 Cb 0.47 -0.24 -0.01 0.00 -1.04 0.00 0.00 39.33 38.50 1nvv h ASP 986 CO -0.88 0.79 -0.18 0.40 -2.04 0.00 0.00 179.24 177.32 1nvv h ILE 987 N 1.05 1.28 -0.56 4.15 2.04 -1.73 -0.35 117.51 123.40 1nvv h ILE 987 Ca 0.27 -1.31 0.04 0.00 1.00 0.00 0.00 64.86 64.86 1nvv h ILE 987 Cb 0.05 1.28 -0.05 0.00 -0.74 0.00 0.00 36.82 37.36 1nvv h ILE 987 CO -0.04 0.44 0.30 0.50 0.00 0.00 0.00 178.15 179.35 1nvv h LYS 988 N 0.64 0.56 -0.29 2.37 3.64 -1.01 -0.84 116.57 121.65 1nvv h LYS 988 Ca 0.09 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.44 1nvv h LYS 988 Cb 0.73 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.41 1nvv h LYS 988 CO 0.06 0.37 0.18 -0.09 -2.27 0.00 0.00 179.45 177.69 1nvv h ARG 989 N 0.58 0.39 -0.34 1.90 9.65 -0.76 1.00 114.38 126.80 1nvv h ARG 989 Ca 0.24 -0.04 0.07 0.00 -1.10 0.00 0.00 59.98 59.16 1nvv h ARG 989 Cb 0.12 -0.08 -0.07 0.00 -1.39 0.00 0.00 29.97 28.55 1nvv h ARG 989 CO -0.15 0.30 -0.12 0.35 2.80 0.00 0.00 179.97 183.15 1nvv h PHE 990 N 0.37 -0.27 0.00 2.20 3.57 -0.42 -1.00 116.94 121.39 1nvv h PHE 990 Ca 0.10 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.57 1nvv h PHE 990 Cb 0.01 0.17 -0.01 0.00 2.79 0.00 0.00 35.95 38.91 1nvv h PHE 990 CO -0.04 -0.19 -0.33 0.74 -2.23 0.00 0.00 178.31 176.26 1nvv h PHE 991 N -0.05 0.00 -0.01 0.41 0.04 -0.74 -2.86 116.94 113.72 1nvv h PHE 991 Ca 0.17 0.00 -0.14 0.00 2.80 0.00 0.00 57.97 60.79 1nvv h PHE 991 Cb 0.30 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.43 1nvv h PHE 991 CO -0.34 0.33 -0.66 0.93 -0.60 0.00 0.00 178.31 177.96 1nvv h GLU 992 N 0.00 0.06 -0.17 1.51 5.08 -0.07 -3.16 114.58 117.82 1nvv h GLU 992 Ca -0.00 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1nvv h GLU 992 Cb 0.92 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.18 1nvv h GLU 992 CO 0.04 0.70 0.00 0.09 -1.00 0.00 0.00 179.01 178.84 1nvv n ASN 993 N -3.77 2.03 -4.70 1.42 3.02 -0.45 -4.94 115.26 107.87 1nvv n ASN 993 Ca -0.01 -1.75 -0.43 0.00 -0.03 0.00 0.00 54.58 52.36 1nvv n ASN 993 Cb 0.65 -0.11 -0.03 0.00 -0.61 0.00 0.00 39.78 39.68 1nvv n ASN 993 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1nvv n LEU 994 N 0.56 3.72 -3.24 3.41 4.77 -1.10 -4.94 117.00 120.19 1nvv n LEU 994 Ca 0.17 1.06 -0.20 0.00 -0.03 0.00 0.00 56.01 57.01 1nvv n LEU 994 Cb 0.40 -1.53 -0.07 0.00 -2.33 0.00 0.00 43.42 39.89 1nvv n LEU 994 CO 0.14 0.04 -0.19 0.21 -1.33 0.00 0.00 177.39 176.26 1nvv s ASN 995 N 1.23 0.74 0.25 -1.43 2.47 -1.26 -5.01 114.94 111.93 1nvv s ASN 995 Ca 0.77 -2.52 -0.04 0.00 0.42 0.00 0.00 52.86 51.49 1nvv s ASN 995 Cb -0.56 0.27 0.29 0.00 -1.45 0.00 0.00 41.25 39.80 1nvv s ASN 995 CO 0.34 -0.16 1.82 -0.65 -3.72 0.00 0.00 177.10 174.74 1nvv h PRO 996 N 5.72 1.05 0.00 0.43 0.11 -1.92 -2.92 132.00 134.47 1nvv h PRO 996 Ca 0.18 -0.18 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1nvv h PRO 996 Cb 0.98 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 31.92 1nvv h PRO 996 CO 0.25 0.85 0.00 0.52 -0.21 0.00 0.00 178.00 179.42 1nvv h MET 997 N 1.02 0.00 0.00 1.05 2.86 -1.94 -3.49 114.93 114.43 1nvv h MET 997 Ca 0.24 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.88 1nvv h MET 997 Cb 0.20 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.86 1nvv h MET 997 CO -0.02 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.36 1nvv n GLY 998 N 0.22 2.41 1.55 8.32 0.00 -1.11 -2.00 105.19 114.58 1nvv n GLY 998 Ca 0.01 -0.47 0.09 0.00 0.00 0.00 0.00 46.02 45.65 1nvv n GLY 998 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1nvv n ASN 999 N 0.82 4.58 -4.82 1.61 2.04 -1.26 -4.95 115.26 113.28 1nvv n ASN 999 Ca 0.00 -2.43 -0.34 0.00 -0.44 0.00 0.00 54.58 51.38 1nvv n ASN 999 Cb 0.00 -0.57 -0.07 0.00 -2.53 0.00 0.00 39.78 36.62 1nvv n ASN 999 CO 0.00 0.00 0.00 -0.55 -0.44 0.00 0.00 177.26 176.27 1nvv s SER 1000N -0.87 6.97 0.66 0.53 0.15 -0.85 -5.06 113.70 115.22 1nvv s SER 1000Ca 0.49 1.55 -0.11 0.00 0.70 0.00 0.00 55.95 58.59 1nvv s SER 1000Cb 0.32 -2.48 -0.02 0.00 -1.71 0.00 0.00 66.02 62.13 1nvv s SER 1000CO 0.24 -0.22 1.04 -0.04 1.20 0.00 0.00 173.24 175.47 1nvv s MET 1001N -2.79 3.27 0.13 5.44 -1.94 -1.26 -4.85 119.30 117.30 1nvv s MET 1001Ca 0.55 0.85 -0.27 0.00 -1.71 0.00 0.00 55.69 55.11 1nvv s MET 1001Cb -0.12 -2.03 -0.04 0.00 2.01 0.00 0.00 34.83 34.65 1nvv s MET 1001CO 0.17 -0.83 1.60 1.49 -0.01 0.00 0.00 175.02 177.43 1nvv h GLU 1002N -0.52 -0.43 -0.39 2.03 4.81 -1.97 -1.64 114.58 116.47 1nvv h GLU 1002Ca -0.44 0.03 0.08 0.00 -0.13 0.00 0.00 59.36 58.90 1nvv h GLU 1002Cb 1.20 0.10 -0.07 0.00 0.63 0.00 0.00 28.75 30.61 1nvv h GLU 1002CO 0.59 -0.29 -0.05 -0.22 -0.73 0.00 0.00 179.01 178.32 1nvv h LYS 1003N -0.45 0.05 -0.20 1.92 1.63 -1.99 0.47 116.57 118.00 1nvv h LYS 1003Ca 0.09 -0.00 0.02 0.00 -0.85 0.00 0.00 60.65 59.91 1nvv h LYS 1003Cb 0.59 -0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 32.19 1nvv h LYS 1003CO -0.37 0.03 0.05 0.93 -3.45 0.00 0.00 179.45 176.64 1nvv h GLU 1004N 0.05 0.14 -0.37 1.90 5.08 -1.89 -0.61 114.58 118.88 1nvv h GLU 1004Ca 0.19 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.50 1nvv h GLU 1004Cb 0.29 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 1nvv h GLU 1004CO -0.37 0.09 0.06 0.35 -1.00 0.00 0.00 179.01 178.15 1nvv h PHE 1005N 0.14 0.66 -0.34 4.33 3.57 -0.93 0.52 116.94 124.90 1nvv h PHE 1005Ca 0.09 -0.09 0.03 0.00 3.53 0.00 0.00 57.97 61.53 1nvv h PHE 1005Cb 0.07 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 38.60 1nvv h PHE 1005CO -0.13 0.66 0.13 1.15 -2.23 0.00 0.00 178.31 177.89 1nvv h THR 1006N 0.46 0.92 -0.53 4.41 2.02 -0.78 -0.66 112.91 118.76 1nvv h THR 1006Ca 0.11 -0.10 -0.07 0.00 0.77 0.00 0.00 66.41 67.13 1nvv h THR 1006Cb 0.36 0.62 -0.02 0.00 -1.74 0.00 0.00 68.15 67.36 1nvv h THR 1006CO 0.01 0.05 0.04 0.44 0.37 0.00 0.00 175.52 176.43 1nvv h ASP 1007N 0.28 0.82 -0.48 4.18 3.45 -0.93 -2.31 116.42 121.43 1nvv h ASP 1007Ca 0.15 -0.19 0.02 0.00 0.43 0.00 0.00 57.03 57.44 1nvv h ASP 1007Cb 0.11 -0.22 -0.03 0.00 -0.56 0.00 0.00 39.33 38.63 1nvv h ASP 1007CO -0.14 0.86 0.29 0.22 -1.57 0.00 0.00 179.24 178.90 1nvv h TYR 1008N 0.81 0.54 -0.33 4.55 3.20 -0.02 0.19 116.97 125.90 1nvv h TYR 1008Ca 0.16 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.03 1nvv h TYR 1008Cb 0.43 -0.18 -0.02 0.00 1.54 0.00 0.00 36.73 38.51 1nvv h TYR 1008CO 0.02 0.32 0.16 -0.07 -1.64 0.00 0.00 178.16 176.95 1nvv h LEU 1009N 0.58 0.44 -0.83 2.82 3.38 -0.88 -0.73 115.31 120.09 1nvv h LEU 1009Ca 0.19 -0.13 -0.08 0.00 0.09 0.00 0.00 57.88 57.95 1nvv h LEU 1009Cb 0.00 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 1nvv h LEU 1009CO -0.08 0.45 -0.01 0.15 0.09 0.00 0.00 178.44 179.04 1nvv h PHE 1010N 0.40 0.93 -0.32 1.13 3.57 -1.22 -1.31 116.94 120.13 1nvv h PHE 1010Ca 0.11 -0.14 -0.10 0.00 3.53 0.00 0.00 57.97 61.37 1nvv h PHE 1010Cb 0.13 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 38.60 1nvv h PHE 1010CO -0.02 0.85 -0.22 -0.91 -2.23 0.00 0.00 178.31 175.79 1nvv h ASN 1011N 0.80 0.61 -0.57 0.41 2.35 -0.69 -1.52 115.58 116.98 1nvv h ASN 1011Ca 0.15 -0.20 -0.05 0.00 -0.55 0.00 0.00 56.30 55.65 1nvv h ASN 1011Cb 0.49 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 38.67 1nvv h ASN 1011CO 0.02 0.82 0.19 0.11 -1.65 0.00 0.00 177.43 176.93 1nvv h LYS 1012N 0.54 0.92 -0.42 0.81 1.79 -0.70 -0.97 116.57 118.53 1nvv h LYS 1012Ca 0.08 -0.17 -0.03 0.00 -2.18 0.00 0.00 60.65 58.35 1nvv h LYS 1012Cb 0.67 -0.14 -0.02 0.00 -1.58 0.00 0.00 32.23 31.15 1nvv h LYS 1012CO 0.05 0.79 0.15 1.03 -1.08 0.00 0.00 179.45 180.39 1nvv h SER 1013N 0.89 0.59 -0.59 0.86 0.87 -0.67 -1.23 113.55 114.26 1nvv h SER 1013Ca 0.20 -0.18 -0.02 0.00 -1.23 0.00 0.00 61.79 60.55 1nvv h SER 1013Cb 0.26 -0.15 -0.03 0.00 -0.44 0.00 0.00 62.40 62.03 1nvv h SER 1013CO -0.01 0.61 0.30 -0.07 -0.53 0.00 0.00 176.83 177.13 1nvv h LEU 1014N 0.53 0.79 0.07 2.23 3.38 -0.77 -1.50 115.31 120.03 1nvv h LEU 1014Ca 0.14 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 1nvv h LEU 1014Cb 0.22 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1nvv h LEU 1014CO -0.01 0.68 -0.03 -0.33 0.09 0.00 0.00 178.44 178.84 1nvv h GLU 1015N 0.88 -0.09 0.00 1.13 5.08 -0.72 -1.97 114.58 118.89 1nvv h GLU 1015Ca 0.22 0.01 -0.12 0.00 -1.00 0.00 0.00 59.36 58.46 1nvv h GLU 1015Cb 0.10 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 1nvv h GLU 1015CO -0.03 0.17 -0.57 -0.84 -1.00 0.00 0.00 179.01 176.75 1nvv h ILE 1016N -0.34 1.30 -2.28 3.13 3.07 -1.13 -3.38 117.51 117.89 1nvv h ILE 1016Ca -0.01 -2.02 -0.56 0.00 1.55 0.00 0.00 64.86 63.83 1nvv h ILE 1016Cb 0.30 2.12 -0.37 0.00 -0.27 0.00 0.00 36.82 38.60 1nvv h ILE 1016CO 0.01 0.56 -0.94 -1.61 -1.05 0.00 0.00 178.15 175.12 1nvv s GLU 1017N -3.57 0.89 0.71 0.16 2.02 -0.58 -4.70 118.70 113.63 1nvv s GLU 1017Ca -0.01 -1.99 -0.16 0.00 0.02 0.00 0.00 54.97 52.83 1nvv s GLU 1017Cb 0.12 -1.31 -0.03 0.00 0.10 0.00 0.00 34.13 33.01 1nvv s GLU 1017CO 0.75 -1.37 0.65 -2.30 0.02 0.00 0.00 175.26 173.00 1nvv n PRO 1018N 2.92 0.38 -2.31 0.39 -0.02 -0.74 -4.55 135.00 131.07 1nvv n PRO 1018Ca 0.28 0.17 -0.35 0.00 -2.02 0.00 0.00 63.50 61.59 1nvv n PRO 1018Cb 0.48 -1.93 -0.01 0.00 -0.02 0.00 0.00 33.50 32.03 1nvv n PRO 1018CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1nvv s ARG 1019N -2.85 3.45 0.64 -0.52 0.52 -1.26 -4.81 118.95 114.12 1nvv s ARG 1019Ca 0.68 1.54 -0.16 0.00 -0.52 0.00 0.00 55.73 57.27 1nvv s ARG 1019Cb -0.36 -2.03 -0.01 0.00 0.52 0.00 0.00 34.95 33.08 1nvv s ARG 1019CO 0.56 -0.76 1.12 -0.80 0.02 0.00 0.00 175.30 175.44 1nvv s ASN 1020N -1.86 5.18 -0.02 0.23 0.01 -1.26 -1.25 114.94 115.97 1nvv s ASN 1020Ca 0.71 2.04 0.04 0.00 -0.71 0.00 0.00 52.86 54.95 1nvv s ASN 1020Cb -0.22 -2.56 0.16 0.00 0.41 0.00 0.00 41.25 39.04 1nvv s ASN 1020CO 0.26 -1.59 0.96 -2.65 -1.51 0.00 0.00 177.10 172.57 1nvv n PRO 1021N -2.24 1.59 -1.97 -0.60 -0.02 -1.26 -5.10 135.00 125.41 1nvv n PRO 1021Ca 0.11 -0.63 -0.41 0.00 -2.02 0.00 0.00 63.50 60.54 1nvv n PRO 1021Cb 0.52 -1.38 -0.02 0.00 -0.02 0.00 0.00 33.50 32.60 1nvv n PRO 1021CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1nvv s LYS 1022N -1.60 4.24 0.58 -0.52 2.20 -0.38 -4.96 119.74 119.30 1nvv s LYS 1022Ca 0.11 2.35 -0.18 0.00 -0.36 0.00 0.00 55.97 57.89 1nvv s LYS 1022Cb 0.07 -3.11 -0.04 0.00 -1.51 0.00 0.00 37.83 33.25 1nvv s LYS 1022CO 0.06 -0.48 1.16 -1.25 -0.36 0.00 0.00 175.35 174.47 1nvv s PRO 1023N -0.12 3.09 -0.22 4.03 0.04 -1.26 -4.70 135.00 135.85 1nvv s PRO 1023Ca 0.62 1.68 -0.29 0.00 0.04 0.00 0.00 61.00 63.05 1nvv s PRO 1023Cb -0.43 -1.96 0.01 0.00 0.04 0.00 0.00 34.50 32.16 1nvv s PRO 1023CO 0.42 -1.08 1.07 -1.17 0.04 0.00 0.00 177.00 176.28 1nvv s LEU 1024N -4.09 4.12 0.89 -3.56 2.96 -1.26 -4.74 118.68 113.00 1nvv s LEU 1024Ca 0.74 1.43 -0.12 0.00 -0.22 0.00 0.00 54.13 55.95 1nvv s LEU 1024Cb -0.26 -3.54 0.17 0.00 0.50 0.00 0.00 46.19 43.06 1nvv s LEU 1024CO 0.32 -0.68 1.24 -2.16 -1.32 0.00 0.00 176.35 173.75 1nvv s PRO 1025N 3.20 1.00 0.13 0.98 0.04 -1.26 -5.10 135.00 133.99 1nvv s PRO 1025Ca 0.46 -0.50 0.09 0.00 0.04 0.00 0.00 61.00 61.08 1nvv s PRO 1025Cb -0.16 -1.96 -0.04 0.00 0.04 0.00 0.00 34.50 32.38 1nvv s PRO 1025CO 0.08 -2.12 -0.16 1.03 0.04 0.00 0.00 177.00 175.87 1nvv s ARG 1026N -5.70 1.87 0.05 4.56 0.52 -1.26 -5.00 118.95 113.99 1nvv s ARG 1026Ca 0.71 -1.18 0.01 0.00 -0.52 0.00 0.00 55.73 54.76 1nvv s ARG 1026Cb -0.05 -2.14 -0.03 0.00 0.52 0.00 0.00 34.95 33.25 1nvv s ARG 1026CO 0.51 0.48 -0.06 -0.06 0.02 0.00 0.00 175.30 176.18 1nvv s PHE 1027N -1.25 0.62 0.62 -0.53 0.40 -1.26 -5.06 117.98 111.51 1nvv s PHE 1027Ca 0.20 -0.61 -0.14 0.00 -0.60 0.00 0.00 56.93 55.78 1nvv s PHE 1027Cb -0.10 -0.38 -0.03 0.00 0.51 0.00 0.00 43.02 43.02 1nvv s PHE 1027CO 0.11 -0.14 1.04 -1.25 0.70 0.00 0.00 175.22 175.69 1nvv s PRO 1028N -2.08 3.34 0.44 0.24 0.04 -1.26 -4.52 135.00 131.19 1nvv s PRO 1028Ca -0.06 1.02 -0.24 0.00 0.04 0.00 0.00 61.00 61.75 1nvv s PRO 1028Cb -0.06 -2.04 -0.08 0.00 0.04 0.00 0.00 34.50 32.36 1nvv s PRO 1028CO -0.01 -0.78 1.17 0.15 0.04 0.00 0.00 177.00 177.56 1nvv s LYS 1029N -4.55 3.86 -0.00 4.56 -0.14 -1.26 -4.25 119.74 117.96 1nvv s LYS 1029Ca 0.60 1.80 0.05 0.00 -1.36 0.00 0.00 55.97 57.06 1nvv s LYS 1029Cb -0.14 -2.50 -0.05 0.00 -1.68 0.00 0.00 37.83 33.46 1nvv s LYS 1029CO 0.44 -0.48 0.20 0.36 -0.76 0.00 0.00 175.35 175.11 1nvv n LYS 1030N -0.29 4.91 -3.86 1.68 2.85 -1.26 -5.01 118.16 117.18 1nvv n LYS 1030Ca 0.06 -0.00 -0.35 0.00 -1.05 0.00 0.00 58.31 56.96 1nvv n LYS 1030Cb 0.47 -0.76 -0.10 0.00 -0.65 0.00 0.00 35.03 33.99 1nvv n LYS 1030CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 1nvv s TYR 1031N -1.54 3.24 -2.24 5.58 2.02 -1.26 -4.98 117.35 118.17 1nvv s TYR 1031Ca 0.01 0.04 0.20 0.00 -0.37 0.00 0.00 57.07 56.95 1nvv s TYR 1031Cb 0.04 -2.16 0.55 0.00 -0.40 0.00 0.00 41.96 39.98 1nvv s TYR 1031CO 0.20 0.05 1.44 -1.13 -1.57 0.00 0.00 175.55 174.54 1nvv n SER 1032N 3.98 2.54 -4.43 2.29 3.41 -1.26 -4.92 113.62 115.23 1nvv n SER 1032Ca -0.16 -1.89 -0.25 0.00 -0.26 0.00 0.00 58.87 56.31 1nvv n SER 1032Cb 0.52 -0.23 -0.11 0.00 -0.26 0.00 0.00 64.21 64.13 1nvv n SER 1032CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 1nvv s TYR 1033N -1.55 2.20 0.25 7.33 -0.85 -1.26 -5.10 117.35 118.38 1nvv s TYR 1033Ca 0.34 -0.37 -0.31 0.00 -0.52 0.00 0.00 57.07 56.21 1nvv s TYR 1033Cb 0.19 -1.03 -0.13 0.00 0.38 0.00 0.00 41.96 41.37 1nvv s TYR 1033CO 0.27 0.56 1.35 -0.35 -1.52 0.00 0.00 175.55 175.86 1nvv n PRO 1034N -0.12 1.96 0.00 -3.49 -0.04 -1.26 -4.90 135.00 127.15 1nvv n PRO 1034Ca -0.09 0.69 0.13 0.00 -0.04 0.00 0.00 63.50 64.19 1nvv n PRO 1034Cb 0.58 -2.32 0.42 0.00 -0.04 0.00 0.00 33.50 32.14 1nvv n PRO 1034CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1nvv n LEU 1035N 1.89 1.37 -4.72 1.53 4.77 -1.26 -4.92 117.00 115.66 1nvv n LEU 1035Ca 0.11 -0.42 -0.42 0.00 -0.03 0.00 0.00 56.01 55.24 1nvv n LEU 1035Cb 0.32 -0.06 -0.03 0.00 -2.33 0.00 0.00 43.42 41.32 1nvv n LEU 1035CO 0.62 0.24 1.17 -0.75 -1.33 0.00 0.00 177.39 177.35 1nvv s LYS 1036N -2.24 4.25 0.32 3.23 2.20 -1.26 -4.97 119.74 121.26 1nvv s LYS 1036Ca 0.31 2.27 -0.27 0.00 -0.36 0.00 0.00 55.97 57.91 1nvv s LYS 1036Cb 0.20 -3.18 -0.09 0.00 -1.51 0.00 0.00 37.83 33.25 1nvv s LYS 1036CO 0.43 -0.55 1.04 0.45 -0.36 0.00 0.00 175.35 176.35 1nvv s SER 1037N 1.11 7.18 0.00 1.43 0.15 -1.26 -4.92 113.70 117.39 1nvv s SER 1037Ca 0.68 2.08 0.29 0.00 0.70 0.00 0.00 55.95 59.71 1nvv s SER 1037Cb -0.42 -2.60 1.64 0.00 -1.71 0.00 0.00 66.02 62.93 1nvv s SER 1037CO 0.31 -0.19 2.06 -0.81 1.20 0.00 0.00 173.24 175.82 1nvv n PRO 1038N 0.76 0.70 0.00 5.44 -0.04 -1.26 -5.01 135.00 135.59 1nvv n PRO 1038Ca 0.01 0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.48 1nvv n PRO 1038Cb 0.47 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.43 1nvv n PRO 1038CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1nvv n GLY 1039N 1.00 -0.74 0.62 0.55 0.00 -1.26 -4.77 105.19 100.59 1nvv n GLY 1039Ca 0.18 -1.70 0.09 0.00 0.00 0.00 0.00 46.02 44.60 1nvv n GLY 1039CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1nvv n VAL 1040N -0.81 2.16 -3.45 1.61 0.24 -1.26 -4.66 118.33 112.15 1nvv n VAL 1040Ca 0.00 -2.02 -0.39 0.00 -2.04 0.00 0.00 64.34 59.90 1nvv n VAL 1040Cb 0.00 -0.25 -0.09 0.00 -1.47 0.00 0.00 33.84 32.02 1nvv n VAL 1040CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1nvv s ARG 1041N -2.85 4.02 0.59 7.34 1.81 -1.26 -4.97 118.95 123.63 1nvv s ARG 1041Ca 0.39 -0.04 -0.19 0.00 -1.72 0.00 0.00 55.73 54.17 1nvv s ARG 1041Cb 0.32 -3.63 -0.04 0.00 -0.45 0.00 0.00 34.95 31.15 1nvv s ARG 1041CO 0.07 -0.20 1.22 -1.25 -0.68 0.00 0.00 175.30 174.45 1nvv s PRO 1042N 1.84 2.98 0.09 3.54 0.04 -1.26 -5.04 135.00 137.19 1nvv s PRO 1042Ca 0.13 1.85 0.01 0.00 0.04 0.00 0.00 61.00 63.04 1nvv s PRO 1042Cb -0.16 -1.95 -0.04 0.00 0.04 0.00 0.00 34.50 32.40 1nvv s PRO 1042CO 0.09 -1.21 0.19 -1.12 0.04 0.00 0.00 177.00 174.99 1nvv s SER 1043N -1.55 6.10 -0.65 6.66 0.01 -1.26 -5.09 113.70 117.92 1nvv s SER 1043Ca 0.77 0.16 0.05 0.00 1.31 0.00 0.00 55.95 58.25 1nvv s SER 1043Cb -0.31 -1.80 0.20 0.00 0.21 0.00 0.00 66.02 64.32 1nvv s SER 1043CO 0.34 0.15 0.58 0.59 0.41 0.00 0.00 173.24 175.30 1nvv n ASN 1044N 0.16 2.90 -4.10 2.44 3.02 -1.26 -4.89 115.26 113.52 1nvv n ASN 1044Ca -0.06 -3.21 -0.12 0.00 -0.03 0.00 0.00 54.58 51.15 1nvv n ASN 1044Cb 0.52 -0.71 -0.11 0.00 -0.61 0.00 0.00 39.78 38.87 1nvv n ASN 1044CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1nvv s PRO 1045N -1.71 0.63 0.00 3.52 0.04 -1.26 -5.20 135.00 131.03 1nvv s PRO 1045Ca 0.31 -0.95 0.00 0.00 0.04 0.00 0.00 61.00 60.41 1nvv s PRO 1045Cb 0.04 -0.26 0.00 0.00 0.04 0.00 0.00 34.50 34.32 1nvv s PRO 1045CO -0.11 0.03 0.00 2.89 0.04 0.00 0.00 177.00 179.84