#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g0f h ASN 567 N 0.00 0.41 -3.15 6.41 2.35 -2.14 -3.44 115.58 116.03 3g0f h ASN 567 Ca 0.00 -0.91 -0.53 0.00 -0.55 0.00 0.00 56.30 54.31 3g0f h ASN 567 Cb 0.00 -0.13 0.01 0.00 0.05 0.00 0.00 38.32 38.24 3g0f h ASN 567 CO 0.00 1.29 0.60 -0.31 -1.65 0.00 0.00 177.43 177.36 3g0f s TYR 568 N -2.61 3.38 -0.10 1.19 2.02 -1.26 -5.03 117.35 114.94 3g0f s TYR 568 Ca -0.14 1.22 -0.06 0.00 -0.37 0.00 0.00 57.07 57.72 3g0f s TYR 568 Cb 0.01 -3.47 0.04 0.00 -0.40 0.00 0.00 41.96 38.14 3g0f s TYR 568 CO 0.81 -1.51 0.24 0.08 -1.57 0.00 0.00 175.55 173.60 3g0f s VAL 569 N 1.14 -0.03 0.10 0.71 1.01 -1.26 -5.14 120.40 116.92 3g0f s VAL 569 Ca 0.60 0.12 -0.27 0.00 0.00 0.00 0.00 61.98 62.43 3g0f s VAL 569 Cb -0.31 -0.36 -0.06 0.00 0.00 0.00 0.00 36.38 35.65 3g0f s VAL 569 CO 0.29 0.05 0.83 -0.31 0.00 0.00 0.00 175.10 175.96 3g0f s TYR 570 N 1.03 3.81 0.06 5.22 1.51 -1.26 -5.01 117.35 122.70 3g0f s TYR 570 Ca -0.07 1.63 -0.31 0.00 -1.01 0.00 0.00 57.07 57.31 3g0f s TYR 570 Cb -0.09 -2.89 -0.06 0.00 -0.11 0.00 0.00 41.96 38.82 3g0f s TYR 570 CO -0.07 0.32 1.22 0.42 -1.11 0.00 0.00 175.55 176.33 3g0f s ILE 571 N -0.34 3.96 -0.06 2.71 -1.09 -1.26 -5.01 121.20 120.11 3g0f s ILE 571 Ca 0.40 1.40 -0.24 0.00 -2.23 0.00 0.00 60.65 59.98 3g0f s ILE 571 Cb -0.22 -3.90 -0.03 0.00 -1.58 0.00 0.00 42.46 36.73 3g0f s ILE 571 CO 0.26 0.10 0.75 -0.62 -1.23 0.00 0.00 174.94 174.20 3g0f s ASP 572 N 1.11 7.04 0.45 3.58 2.15 -1.26 -4.97 116.67 124.77 3g0f s ASP 572 Ca 0.59 1.26 0.13 0.00 0.43 0.00 0.00 52.55 54.96 3g0f s ASP 572 Cb -0.30 -2.44 1.06 0.00 -0.30 0.00 0.00 42.92 40.94 3g0f s ASP 572 CO 0.29 -0.15 2.05 -0.65 -0.17 0.00 0.00 175.17 176.54 3g0f h PRO 573 N 6.79 0.32 0.00 4.34 0.11 -1.95 -1.88 132.00 139.72 3g0f h PRO 573 Ca -0.41 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.69 3g0f h PRO 573 Cb 1.20 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3g0f h PRO 573 CO 0.76 0.21 0.00 0.25 -0.21 0.00 0.00 178.00 179.01 3g0f n THR 574 N -4.48 0.21 -0.04 -1.15 -2.24 -1.26 -2.75 114.28 102.57 3g0f n THR 574 Ca 0.05 0.05 -0.01 0.00 -2.27 0.00 0.00 64.05 61.87 3g0f n THR 574 Cb 0.23 -0.63 -0.14 0.00 -2.10 0.00 0.00 70.33 67.69 3g0f n THR 574 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3g0f n GLN 575 N -1.34 0.66 -1.63 -0.78 3.00 -0.71 -4.92 117.38 111.66 3g0f n GLN 575 Ca 0.11 -0.00 -0.37 0.00 -0.01 0.00 0.00 57.00 56.72 3g0f n GLN 575 Cb 0.23 -1.60 0.06 0.00 0.00 0.00 0.00 30.24 28.93 3g0f n GLN 575 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 3g0f n LEU 576 N -2.64 4.58 -4.77 1.08 4.32 -1.11 -4.97 117.00 113.49 3g0f n LEU 576 Ca -0.18 0.79 -0.37 0.00 -0.02 0.00 0.00 56.01 56.23 3g0f n LEU 576 Cb 0.89 -1.45 -0.01 0.00 -1.62 0.00 0.00 43.42 41.23 3g0f n LEU 576 CO 0.44 -1.58 0.83 -2.84 -1.22 0.00 0.00 177.39 173.02 3g0f s PRO 577 N -3.07 3.88 0.11 3.23 0.02 -1.26 -4.97 135.00 132.93 3g0f s PRO 577 Ca 0.79 1.78 -0.33 0.00 0.02 0.00 0.00 61.00 63.26 3g0f s PRO 577 Cb -0.39 -2.50 -0.13 0.00 0.02 0.00 0.00 34.50 31.50 3g0f s PRO 577 CO 0.44 -0.45 1.70 0.98 -0.33 0.00 0.00 177.00 179.34 3g0f n TYR 578 N -0.28 2.39 -3.08 6.54 4.19 -1.26 -4.95 117.16 120.71 3g0f n TYR 578 Ca 0.06 0.12 -0.40 0.00 3.31 0.00 0.00 57.90 60.98 3g0f n TYR 578 Cb 0.48 -2.61 -0.06 0.00 0.49 0.00 0.00 39.34 37.63 3g0f n TYR 578 CO 0.00 0.00 0.00 0.34 0.91 0.00 0.00 176.86 178.11 3g0f s ASP 579 N 1.92 6.68 0.01 2.98 -1.08 -1.26 -4.94 116.67 120.97 3g0f s ASP 579 Ca 0.82 0.83 0.21 0.00 -0.52 0.00 0.00 52.55 53.89 3g0f s ASP 579 Cb -0.63 -2.36 0.89 0.00 -1.46 0.00 0.00 42.92 39.36 3g0f s ASP 579 CO 0.40 -0.33 1.67 1.41 0.52 0.00 0.00 175.17 178.84 3g0f n HIS 580 N 5.34 0.02 0.32 -5.34 8.25 -1.26 -2.58 115.22 119.98 3g0f n HIS 580 Ca -0.00 0.01 0.19 0.00 -0.26 0.00 0.00 57.72 57.66 3g0f n HIS 580 Cb 0.49 -0.51 1.04 0.00 1.12 0.00 0.00 29.99 32.13 3g0f n HIS 580 CO 0.00 0.00 0.00 1.57 0.64 0.00 0.00 176.34 178.55 3g0f h LYS 581 N 0.00 0.00 0.00 -0.41 2.10 -2.02 -0.92 116.57 115.32 3g0f h LYS 581 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3g0f h LYS 581 Cb 0.36 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.69 3g0f h LYS 581 CO 0.00 0.00 -0.63 0.91 -2.00 0.00 0.00 179.45 177.73 3g0f n TRP 582 N -2.94 0.28 -1.87 0.07 7.02 -1.06 -4.96 117.44 113.98 3g0f n TRP 582 Ca -0.03 0.08 -0.41 0.00 -1.02 0.00 0.00 57.50 56.13 3g0f n TRP 582 Cb 0.17 -0.46 -0.01 0.00 -2.42 0.00 0.00 31.31 28.59 3g0f n TRP 582 CO 0.00 0.00 0.00 -2.00 -2.02 0.00 0.00 177.69 173.67 3g0f s GLU 583 N -3.10 4.17 -0.03 -0.99 2.56 -0.35 -0.42 118.70 120.53 3g0f s GLU 583 Ca 0.08 2.48 -0.02 0.00 0.00 0.00 0.00 54.97 57.51 3g0f s GLU 583 Cb 0.15 -3.01 0.02 0.00 2.00 0.00 0.00 34.13 33.29 3g0f s GLU 583 CO 0.72 -0.48 0.07 0.12 -0.56 0.00 0.00 175.26 175.13 3g0f s PHE 584 N -0.76 -0.06 0.08 5.30 5.36 0.12 -4.80 117.98 123.21 3g0f s PHE 584 Ca 0.55 0.22 -0.31 0.00 -0.96 0.00 0.00 56.93 56.43 3g0f s PHE 584 Cb -0.45 -0.06 -0.08 0.00 -0.34 0.00 0.00 43.02 42.09 3g0f s PHE 584 CO 0.56 -0.07 1.57 -2.14 -1.46 0.00 0.00 175.22 173.68 3g0f s PRO 585 N 0.50 4.23 0.05 10.12 0.02 -1.26 -4.35 135.00 144.31 3g0f s PRO 585 Ca -0.04 2.24 0.25 0.00 0.02 0.00 0.00 61.00 63.48 3g0f s PRO 585 Cb -0.06 -3.49 1.04 0.00 0.02 0.00 0.00 34.50 32.01 3g0f s PRO 585 CO -0.02 -0.66 1.80 2.89 -0.33 0.00 0.00 177.00 180.68 3g0f n ARG 586 N 5.16 0.05 0.00 5.54 1.85 -1.26 -1.59 116.66 126.41 3g0f n ARG 586 Ca 0.15 0.11 0.13 0.00 -1.00 0.00 0.00 57.85 57.23 3g0f n ARG 586 Cb 0.41 -1.57 0.77 0.00 -1.05 0.00 0.00 32.46 31.03 3g0f n ARG 586 CO 0.00 0.00 0.00 0.27 -0.01 0.00 0.00 177.63 177.89 3g0f n ASN 587 N -1.66 0.00 -1.21 2.89 2.04 -1.26 -2.17 115.26 113.89 3g0f n ASN 587 Ca 0.06 -0.97 0.11 0.00 -0.44 0.00 0.00 54.58 53.34 3g0f n ASN 587 Cb 0.31 0.00 0.27 0.00 -2.53 0.00 0.00 39.78 37.84 3g0f n ASN 587 CO 0.00 0.00 0.00 0.54 -0.44 0.00 0.00 177.26 177.36 3g0f n ARG 588 N -0.96 2.66 -4.69 -3.83 5.12 -0.62 -4.95 116.66 109.39 3g0f n ARG 588 Ca 0.20 -2.48 -0.33 0.00 -1.93 0.00 0.00 57.85 53.30 3g0f n ARG 588 Cb 0.09 -1.51 -0.12 0.00 -1.16 0.00 0.00 32.46 29.76 3g0f n ARG 588 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 3g0f s LEU 589 N -1.10 3.01 0.10 0.55 1.43 -0.92 -1.78 118.68 119.97 3g0f s LEU 589 Ca 0.43 -0.10 0.10 0.00 -1.03 0.00 0.00 54.13 53.53 3g0f s LEU 589 Cb 0.23 -1.66 -0.04 0.00 0.03 0.00 0.00 46.19 44.76 3g0f s LEU 589 CO 0.30 0.35 -0.25 -0.44 0.23 0.00 0.00 176.35 176.54 3g0f s SER 590 N -0.87 3.37 -0.02 2.29 0.01 -0.43 -4.97 113.70 113.08 3g0f s SER 590 Ca 0.13 -0.66 -0.01 0.00 1.31 0.00 0.00 55.95 56.71 3g0f s SER 590 Cb -0.11 -0.30 -0.04 0.00 0.21 0.00 0.00 66.02 65.79 3g0f s SER 590 CO 0.02 0.21 0.08 -0.36 0.41 0.00 0.00 173.24 173.60 3g0f s PHE 591 N -0.99 3.30 0.00 2.43 2.99 -1.26 -1.10 117.98 123.36 3g0f s PHE 591 Ca 0.14 0.23 0.00 0.00 0.00 0.00 0.00 56.93 57.30 3g0f s PHE 591 Cb -0.10 -1.76 0.00 0.00 0.00 0.00 0.00 43.02 41.16 3g0f s PHE 591 CO 0.05 0.56 0.00 0.41 -0.00 0.00 0.00 175.22 176.24 3g0f n GLY 592 N 1.28 2.95 3.82 4.36 0.00 0.89 -4.96 105.19 113.52 3g0f n GLY 592 Ca -0.14 -0.36 -0.33 0.00 0.00 0.00 0.00 46.02 45.20 3g0f n GLY 592 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3g0f s LYS 593 N 4.19 4.17 0.14 1.61 -2.85 -1.26 -4.64 119.74 121.10 3g0f s LYS 593 Ca 0.00 1.14 -0.30 0.00 -1.00 0.00 0.00 55.97 55.81 3g0f s LYS 593 Cb 0.00 -2.17 -0.07 0.00 -2.06 0.00 0.00 37.83 33.53 3g0f s LYS 593 CO 0.00 -0.09 1.23 0.99 0.10 0.00 0.00 175.35 177.58 3g0f s THR 594 N -2.18 3.66 -0.12 3.79 2.01 -1.26 -1.25 115.64 120.30 3g0f s THR 594 Ca 0.62 1.30 0.01 0.00 0.31 0.00 0.00 61.69 63.93 3g0f s THR 594 Cb -0.10 -3.83 -0.24 0.00 0.01 0.00 0.00 72.50 68.34 3g0f s THR 594 CO 0.15 0.16 0.37 0.18 -0.69 0.00 0.00 174.62 174.78 3g0f n LEU 595 N 3.12 2.07 -3.57 4.42 4.77 0.96 -4.88 117.00 123.89 3g0f n LEU 595 Ca 0.07 0.22 -0.16 0.00 -0.03 0.00 0.00 56.01 56.11 3g0f n LEU 595 Cb 0.45 -0.67 -0.06 0.00 -2.33 0.00 0.00 43.42 40.80 3g0f n LEU 595 CO 0.56 0.72 0.46 -0.83 -1.33 0.00 0.00 177.39 176.98 3g0f s GLY 596 N -5.56 -0.53 0.01 -0.72 0.00 -1.02 -5.00 107.32 94.50 3g0f s GLY 596 Ca -0.18 1.69 0.01 0.00 0.00 0.00 0.00 44.72 46.23 3g0f s GLY 596 CO 0.77 1.30 -0.03 0.00 0.00 0.00 0.00 173.10 175.14 3g0f s ALA 597 N -0.53 0.21 0.06 3.20 0.00 -1.06 -0.31 121.76 123.33 3g0f s ALA 597 Ca -0.06 -0.26 0.00 0.00 0.00 0.00 0.00 51.96 51.65 3g0f s ALA 597 Cb -0.02 0.00 -0.00 0.00 0.00 0.00 0.00 23.12 23.10 3g0f s ALA 597 CO 0.05 -0.00 0.01 0.41 0.00 0.00 0.00 175.76 176.23 3g0f n GLY 598 N 2.59 4.08 0.21 0.00 0.00 0.83 -2.87 105.19 110.02 3g0f n GLY 598 Ca -0.16 -2.13 -0.02 0.00 0.00 0.00 0.00 46.02 43.72 3g0f n GLY 598 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g0f h ALA 599 N 1.05 0.65 -0.01 4.61 0.00 -1.80 -3.27 119.26 120.49 3g0f h ALA 599 Ca -0.05 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3g0f h ALA 599 Cb 0.16 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3g0f h ALA 599 CO 0.08 -0.25 -0.15 1.19 0.00 0.00 0.00 179.25 180.13 3g0f n PHE 600 N -5.05 0.00 -3.82 0.00 3.72 -1.26 -4.92 117.46 106.13 3g0f n PHE 600 Ca 0.07 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.42 3g0f n PHE 600 Cb 0.25 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.79 3g0f n PHE 600 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 3g0f s GLY 601 N -1.31 0.02 0.21 1.37 0.00 -1.22 -0.25 107.32 106.14 3g0f s GLY 601 Ca 0.11 -0.27 -0.10 0.00 0.00 0.00 0.00 44.72 44.46 3g0f s GLY 601 CO 0.24 0.57 0.38 -1.59 0.00 0.00 0.00 173.10 172.69 3g0f s LYS 602 N -2.87 1.37 -0.11 2.90 -2.85 -0.72 -0.12 119.74 117.34 3g0f s LYS 602 Ca 0.15 -1.25 0.03 0.00 -1.00 0.00 0.00 55.97 53.90 3g0f s LYS 602 Cb -0.03 0.42 0.01 0.00 -2.06 0.00 0.00 37.83 36.16 3g0f s LYS 602 CO 0.06 -0.54 -0.21 0.08 0.10 0.00 0.00 175.35 174.85 3g0f s VAL 603 N -4.01 1.86 0.01 1.79 1.01 0.57 -1.93 120.40 119.70 3g0f s VAL 603 Ca 0.22 -0.88 0.08 0.00 0.00 0.00 0.00 61.98 61.40 3g0f s VAL 603 Cb 0.02 -1.64 -0.02 0.00 0.00 0.00 0.00 36.38 34.73 3g0f s VAL 603 CO 0.06 0.51 -0.26 -0.69 0.00 0.00 0.00 175.10 174.73 3g0f s VAL 604 N 0.64 2.14 0.39 2.92 1.01 0.14 -0.03 120.40 127.61 3g0f s VAL 604 Ca -0.13 -1.21 -0.26 0.00 0.00 0.00 0.00 61.98 60.38 3g0f s VAL 604 Cb -0.16 -1.78 -0.09 0.00 0.00 0.00 0.00 36.38 34.35 3g0f s VAL 604 CO 0.03 0.49 1.19 -0.70 0.00 0.00 0.00 175.10 176.11 3g0f s GLU 605 N -0.89 4.07 0.15 2.72 2.12 -0.38 -0.85 118.70 125.65 3g0f s GLU 605 Ca 0.11 1.90 -0.16 0.00 0.36 0.00 0.00 54.97 57.18 3g0f s GLU 605 Cb -0.10 -2.72 0.03 0.00 0.26 0.00 0.00 34.13 31.59 3g0f s GLU 605 CO 0.00 -0.32 0.43 0.00 -0.54 0.00 0.00 175.26 174.84 3g0f s ALA 606 N -1.37 -0.86 -0.09 6.30 0.00 -0.35 -0.08 121.76 125.33 3g0f s ALA 606 Ca 0.56 -0.18 0.01 0.00 0.00 0.00 0.00 51.96 52.36 3g0f s ALA 606 Cb -0.32 0.76 -0.02 0.00 0.00 0.00 0.00 23.12 23.54 3g0f s ALA 606 CO 0.41 -0.70 -0.10 0.99 0.00 0.00 0.00 175.76 176.36 3g0f s THR 607 N -3.84 3.36 -0.09 0.00 2.01 -0.26 -0.75 115.64 116.07 3g0f s THR 607 Ca 0.06 -0.59 0.03 0.00 0.31 0.00 0.00 61.69 61.51 3g0f s THR 607 Cb 0.01 -2.38 0.00 0.00 0.01 0.00 0.00 72.50 70.15 3g0f s THR 607 CO -0.08 0.57 -0.20 0.00 -0.69 0.00 0.00 174.62 174.22 3g0f s ALA 608 N -0.37 1.88 -0.19 7.40 0.00 -0.73 -1.32 121.76 128.44 3g0f s ALA 608 Ca 0.04 -0.80 -0.08 0.00 0.00 0.00 0.00 51.96 51.13 3g0f s ALA 608 Cb -0.12 -0.74 -0.04 0.00 0.00 0.00 0.00 23.12 22.21 3g0f s ALA 608 CO 0.02 0.22 0.08 -0.47 0.00 0.00 0.00 175.76 175.62 3g0f s TYR 609 N 0.46 3.31 -0.53 0.00 5.04 -0.73 -1.89 117.35 123.02 3g0f s TYR 609 Ca -0.17 0.17 0.00 0.00 -2.44 0.00 0.00 57.07 54.63 3g0f s TYR 609 Cb -0.17 -2.10 0.00 0.00 0.35 0.00 0.00 41.96 40.04 3g0f s TYR 609 CO 0.07 0.22 0.00 0.41 -1.34 0.00 0.00 175.55 174.91 3g0f n GLY 610 N 3.48 0.30 0.08 8.97 0.00 0.10 -4.93 105.19 113.19 3g0f n GLY 610 Ca -0.16 -0.68 -0.11 0.00 0.00 0.00 0.00 46.02 45.07 3g0f n GLY 610 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3g0f h LEU 611 N 0.00 -0.05 0.00 0.99 5.85 -1.76 -3.41 115.31 116.94 3g0f h LEU 611 Ca -0.13 -0.61 0.00 0.00 0.84 0.00 0.00 57.88 57.98 3g0f h LEU 611 Cb 0.93 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.97 3g0f h LEU 611 CO 0.17 0.71 -0.47 -0.38 -0.34 0.00 0.00 178.44 178.12 3g0f n ILE 612 N -4.74 0.75 -3.40 4.05 2.08 -1.26 -4.94 119.36 111.90 3g0f n ILE 612 Ca -0.07 0.32 -0.37 0.00 0.56 0.00 0.00 62.75 63.19 3g0f n ILE 612 Cb 0.32 -1.93 -0.06 0.00 -0.75 0.00 0.00 39.64 37.22 3g0f n ILE 612 CO 0.00 0.00 0.00 -0.54 0.56 0.00 0.00 176.55 176.57 3g0f s LYS 613 N -1.91 4.01 0.33 0.38 1.02 -1.26 -4.99 119.74 117.31 3g0f s LYS 613 Ca -0.14 0.52 0.14 0.00 0.02 0.00 0.00 55.97 56.51 3g0f s LYS 613 Cb 0.02 -3.13 0.54 0.00 -0.52 0.00 0.00 37.83 34.74 3g0f s LYS 613 CO 0.20 0.61 1.70 0.77 -0.92 0.00 0.00 175.35 177.70 3g0f h SER 614 N 4.25 0.00 -0.96 2.83 0.02 -1.92 -2.90 113.55 114.86 3g0f h SER 614 Ca -0.50 0.00 0.02 0.00 -0.84 0.00 0.00 61.79 60.47 3g0f h SER 614 Cb 1.21 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.70 3g0f h SER 614 CO 0.64 0.49 0.64 -0.78 -1.14 0.00 0.00 176.83 176.67 3g0f h ASP 615 N 0.00 1.08 -1.41 3.07 1.82 -1.94 -3.38 116.42 115.66 3g0f h ASP 615 Ca -0.00 -0.02 -0.60 0.00 -0.39 0.00 0.00 57.03 56.02 3g0f h ASP 615 Cb 0.94 -0.26 -0.10 0.00 0.68 0.00 0.00 39.33 40.59 3g0f h ASP 615 CO 0.06 0.76 -0.51 0.00 -1.61 0.00 0.00 179.24 177.94 3g0f s ALA 616 N -6.05 3.59 0.10 -0.78 0.00 -1.10 -4.85 121.76 112.67 3g0f s ALA 616 Ca -0.12 -1.93 0.09 0.00 0.00 0.00 0.00 51.96 50.00 3g0f s ALA 616 Cb 0.18 -0.22 -0.04 0.00 0.00 0.00 0.00 23.12 23.05 3g0f s ALA 616 CO 0.81 -0.16 -0.24 0.00 0.00 0.00 0.00 175.76 176.17 3g0f s ALA 617 N -2.67 2.12 0.05 0.00 0.00 -1.26 0.02 121.76 120.01 3g0f s ALA 617 Ca 0.35 -1.33 -0.02 0.00 0.00 0.00 0.00 51.96 50.97 3g0f s ALA 617 Cb 0.05 -0.35 -0.03 0.00 0.00 0.00 0.00 23.12 22.79 3g0f s ALA 617 CO 0.19 0.47 -0.01 0.00 0.00 0.00 0.00 175.76 176.41 3g0f s MET 618 N -1.79 0.59 0.12 0.00 0.23 -0.79 -4.99 119.30 112.68 3g0f s MET 618 Ca 0.11 -1.11 -0.27 0.00 -1.03 0.00 0.00 55.69 53.39 3g0f s MET 618 Cb -0.10 0.21 -0.07 0.00 -1.53 0.00 0.00 34.83 33.34 3g0f s MET 618 CO 0.04 -0.12 0.84 0.99 -2.03 0.00 0.00 175.02 174.75 3g0f s THR 619 N -3.58 4.47 0.25 3.16 2.01 -1.26 -1.77 115.64 118.92 3g0f s THR 619 Ca 0.04 1.83 0.01 0.00 0.31 0.00 0.00 61.69 63.88 3g0f s THR 619 Cb 0.05 -4.20 -0.04 0.00 0.01 0.00 0.00 72.50 68.32 3g0f s THR 619 CO -0.09 0.42 0.15 0.68 -0.69 0.00 0.00 174.62 175.09 3g0f s VAL 620 N -0.52 0.15 -0.09 3.82 -7.23 0.07 -4.33 120.40 112.27 3g0f s VAL 620 Ca 0.40 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.58 3g0f s VAL 620 Cb -0.23 -2.52 -0.03 0.00 0.56 0.00 0.00 36.38 34.16 3g0f s VAL 620 CO 0.27 0.00 -0.08 0.00 -0.31 0.00 0.00 175.10 174.97 3g0f s ALA 621 N -3.90 2.88 -0.09 1.32 0.00 0.05 -1.21 121.76 120.83 3g0f s ALA 621 Ca 0.38 -0.89 0.05 0.00 0.00 0.00 0.00 51.96 51.50 3g0f s ALA 621 Cb 0.06 -1.23 -0.00 0.00 0.00 0.00 0.00 23.12 21.95 3g0f s ALA 621 CO 0.15 0.47 -0.24 0.08 0.00 0.00 0.00 175.76 176.23 3g0f s VAL 622 N -0.47 2.02 -0.05 0.00 1.01 -0.03 -0.53 120.40 122.35 3g0f s VAL 622 Ca 0.07 -1.01 0.01 0.00 0.00 0.00 0.00 61.98 61.04 3g0f s VAL 622 Cb -0.12 -1.74 -0.03 0.00 0.00 0.00 0.00 36.38 34.49 3g0f s VAL 622 CO 0.02 0.55 -0.04 -0.75 0.00 0.00 0.00 175.10 174.89 3g0f s LYS 623 N 0.20 2.78 0.18 2.72 2.20 -0.03 -0.68 119.74 127.10 3g0f s LYS 623 Ca -0.14 -0.56 -0.22 0.00 -0.36 0.00 0.00 55.97 54.69 3g0f s LYS 623 Cb -0.17 -2.64 0.06 0.00 -1.51 0.00 0.00 37.83 33.58 3g0f s LYS 623 CO 0.07 0.66 0.61 0.00 -0.36 0.00 0.00 175.35 176.33 3g0f s MET 624 N -1.08 1.36 0.11 4.03 0.23 -0.81 -1.38 119.30 121.76 3g0f s MET 624 Ca 0.15 -0.56 -0.16 0.00 -1.03 0.00 0.00 55.69 54.08 3g0f s MET 624 Cb -0.11 0.59 -0.07 0.00 -1.53 0.00 0.00 34.83 33.71 3g0f s MET 624 CO 0.04 -0.60 0.55 -0.51 -2.03 0.00 0.00 175.02 172.48 3g0f s LEU 625 N -2.78 4.43 0.79 0.18 1.43 -1.26 -1.76 118.68 119.71 3g0f s LEU 625 Ca 0.03 1.15 -0.11 0.00 -1.03 0.00 0.00 54.13 54.17 3g0f s LEU 625 Cb -0.02 -3.07 0.07 0.00 0.03 0.00 0.00 46.19 43.20 3g0f s LEU 625 CO -0.10 0.19 1.11 -0.54 0.23 0.00 0.00 176.35 177.24 3g0f s LYS 626 N -1.55 2.03 0.09 1.70 1.02 0.65 -4.88 119.74 118.81 3g0f s LYS 626 Ca 0.33 1.28 0.06 0.00 0.02 0.00 0.00 55.97 57.66 3g0f s LYS 626 Cb -0.17 -1.86 0.32 0.00 -0.52 0.00 0.00 37.83 35.59 3g0f s LYS 626 CO 0.19 -1.83 1.17 -2.30 -0.92 0.00 0.00 175.35 171.66 3g0f n PRO 627 N -3.58 0.04 -0.93 -1.68 -0.02 -1.26 -2.09 135.00 125.48 3g0f n PRO 627 Ca 0.10 0.53 -0.01 0.00 -2.02 0.00 0.00 63.50 62.09 3g0f n PRO 627 Cb 0.53 -1.64 0.32 0.00 -0.02 0.00 0.00 33.50 32.69 3g0f n PRO 627 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3g0f n SER 628 N -1.70 4.88 -4.81 2.55 3.41 -1.26 -4.98 113.62 111.72 3g0f n SER 628 Ca -0.00 -3.16 -0.39 0.00 -0.26 0.00 0.00 58.87 55.06 3g0f n SER 628 Cb 0.03 -0.71 -0.06 0.00 -0.26 0.00 0.00 64.21 63.21 3g0f n SER 628 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3g0f s ALA 629 N -2.94 3.58 0.60 7.33 0.00 -0.89 -4.93 121.76 124.52 3g0f s ALA 629 Ca 0.53 0.05 0.03 0.00 0.00 0.00 0.00 51.96 52.57 3g0f s ALA 629 Cb 0.42 -2.65 0.08 0.00 0.00 0.00 0.00 23.12 20.97 3g0f s ALA 629 CO 0.13 0.39 0.84 -1.01 0.00 0.00 0.00 175.76 176.11 3g0f s HIS 630 N -1.08 2.12 0.47 0.00 3.76 -1.26 -4.92 115.29 114.39 3g0f s HIS 630 Ca 0.29 -0.28 0.15 0.00 -0.15 0.00 0.00 55.06 55.07 3g0f s HIS 630 Cb -0.20 -2.71 1.11 0.00 1.11 0.00 0.00 32.58 31.90 3g0f s HIS 630 CO 0.19 -1.19 2.04 1.25 -0.85 0.00 0.00 174.74 176.19 3g0f h LEU 631 N -0.07 0.24 -1.56 0.89 5.85 -1.99 -0.00 115.31 118.67 3g0f h LEU 631 Ca -0.38 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.31 3g0f h LEU 631 Cb 1.28 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 42.25 3g0f h LEU 631 CO 0.45 0.16 -0.13 0.74 -0.34 0.00 0.00 178.44 179.32 3g0f h THR 632 N 0.28 1.14 0.12 1.05 2.02 -1.99 -0.96 112.91 114.56 3g0f h THR 632 Ca 0.18 -0.63 -0.30 0.00 0.77 0.00 0.00 66.41 66.43 3g0f h THR 632 Cb 0.36 1.22 -0.01 0.00 -1.74 0.00 0.00 68.15 67.99 3g0f h THR 632 CO -0.04 0.19 -1.46 -0.33 0.37 0.00 0.00 175.52 174.26 3g0f h GLU 633 N 0.12 0.25 -0.81 6.66 3.07 -1.38 -1.56 114.58 120.92 3g0f h GLU 633 Ca 0.03 -0.42 -0.00 0.00 -0.50 0.00 0.00 59.36 58.46 3g0f h GLU 633 Cb 0.31 0.16 -0.04 0.00 -0.84 0.00 0.00 28.75 28.34 3g0f h GLU 633 CO 0.02 1.13 0.49 0.00 -1.40 0.00 0.00 179.01 179.25 3g0f h ARG 634 N 0.07 1.10 -0.43 2.33 3.08 -1.23 -0.38 114.38 118.92 3g0f h ARG 634 Ca -0.21 -0.10 -0.06 0.00 0.07 0.00 0.00 59.98 59.67 3g0f h ARG 634 Cb 2.00 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 31.80 3g0f h ARG 634 CO 0.17 0.77 0.02 0.93 -1.07 0.00 0.00 179.97 180.79 3g0f h GLU 635 N 1.11 0.74 -0.51 0.04 5.08 -1.20 -1.49 114.58 118.36 3g0f h GLU 635 Ca 0.29 -0.23 0.03 0.00 -1.00 0.00 0.00 59.36 58.46 3g0f h GLU 635 Cb -0.05 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.09 3g0f h GLU 635 CO -0.06 0.81 0.28 0.00 -1.00 0.00 0.00 179.01 179.04 3g0f h ALA 636 N 0.91 0.65 -0.53 3.43 0.00 -0.95 0.28 119.26 123.04 3g0f h ALA 636 Ca 0.12 0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.93 3g0f h ALA 636 Cb 0.46 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 3g0f h ALA 636 CO 0.02 -0.05 -0.09 1.25 0.00 0.00 0.00 179.25 180.39 3g0f h LEU 637 N 0.55 0.98 -0.58 0.00 5.85 -0.89 0.11 115.31 121.33 3g0f h LEU 637 Ca 0.21 -0.31 -0.15 0.00 0.84 0.00 0.00 57.88 58.48 3g0f h LEU 637 Cb 0.08 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.84 3g0f h LEU 637 CO -0.12 1.08 -0.46 -0.03 -0.34 0.00 0.00 178.44 178.57 3g0f h MET 638 N 0.88 0.61 -0.55 1.25 4.05 -0.98 -2.35 114.93 117.84 3g0f h MET 638 Ca 0.14 -0.34 -0.08 0.00 -0.28 0.00 0.00 59.70 59.14 3g0f h MET 638 Cb 0.63 0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 31.43 3g0f h MET 638 CO 0.04 0.94 0.02 0.77 0.23 0.00 0.00 176.91 178.91 3g0f h SER 639 N 0.49 0.89 -0.97 1.39 0.02 -0.06 -1.23 113.55 114.09 3g0f h SER 639 Ca 0.03 -0.23 0.04 0.00 -0.84 0.00 0.00 61.79 60.80 3g0f h SER 639 Cb 0.99 -0.24 -0.06 0.00 0.14 0.00 0.00 62.40 63.23 3g0f h SER 639 CO 0.09 0.94 0.63 -0.08 -1.14 0.00 0.00 176.83 177.27 3g0f h GLU 640 N 0.86 1.17 -0.27 3.45 4.81 -0.54 -0.98 114.58 123.08 3g0f h GLU 640 Ca 0.16 -0.07 -0.11 0.00 -0.13 0.00 0.00 59.36 59.21 3g0f h GLU 640 Cb 0.48 -0.26 -0.00 0.00 0.63 0.00 0.00 28.75 29.59 3g0f h GLU 640 CO 0.02 0.77 -0.27 1.25 -0.73 0.00 0.00 179.01 180.06 3g0f h LEU 641 N 1.20 0.69 -0.70 1.64 5.85 -0.90 -1.93 115.31 121.17 3g0f h LEU 641 Ca 0.39 -0.47 -0.13 0.00 0.84 0.00 0.00 57.88 58.51 3g0f h LEU 641 Cb 0.04 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 40.86 3g0f h LEU 641 CO -0.13 1.03 -0.43 0.11 -0.34 0.00 0.00 178.44 178.67 3g0f h LYS 642 N 0.38 0.50 -0.01 1.25 1.57 -0.95 -1.40 116.57 117.92 3g0f h LYS 642 Ca 0.04 -0.26 -0.00 0.00 -1.87 0.00 0.00 60.65 58.56 3g0f h LYS 642 Cb 0.83 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 33.15 3g0f h LYS 642 CO 0.07 0.84 0.00 0.28 -0.57 0.00 0.00 179.45 180.07 3g0f h VAL 643 N 0.41 1.13 -0.97 0.50 2.07 -1.15 -1.03 116.25 117.21 3g0f h VAL 643 Ca 0.03 -0.38 0.08 0.00 0.82 0.00 0.00 66.70 67.25 3g0f h VAL 643 Cb 0.92 1.37 -0.07 0.00 -1.52 0.00 0.00 31.29 31.98 3g0f h VAL 643 CO 0.08 0.10 0.61 -0.07 0.02 0.00 0.00 177.57 178.31 3g0f h LEU 644 N -0.14 0.95 -0.76 2.57 3.38 -1.23 0.53 115.31 120.60 3g0f h LEU 644 Ca 0.00 0.02 -0.11 0.00 0.09 0.00 0.00 57.88 57.89 3g0f h LEU 644 Cb 0.16 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 3g0f h LEU 644 CO -0.00 0.58 -0.20 -1.28 0.09 0.00 0.00 178.44 177.63 3g0f h SER 645 N 1.07 0.73 -0.37 -0.43 0.87 -1.13 -2.87 113.55 111.41 3g0f h SER 645 Ca 0.44 -0.25 -0.11 0.00 -1.23 0.00 0.00 61.79 60.64 3g0f h SER 645 Cb 0.27 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.02 3g0f h SER 645 CO -0.20 0.92 -0.19 0.22 -0.53 0.00 0.00 176.83 177.05 3g0f h TYR 646 N 0.64 0.90 -0.82 2.24 3.20 -0.18 -3.24 116.97 119.71 3g0f h TYR 646 Ca 0.10 -0.23 -0.01 0.00 3.14 0.00 0.00 58.73 61.73 3g0f h TYR 646 Cb 0.68 -0.21 -0.04 0.00 1.54 0.00 0.00 36.73 38.71 3g0f h TYR 646 CO 0.03 0.97 0.47 -0.07 -1.64 0.00 0.00 178.16 177.92 3g0f h LEU 647 N 0.57 1.00 0.00 2.82 3.38 -0.78 -3.49 115.31 118.81 3g0f h LEU 647 Ca 0.08 -0.07 0.02 0.00 0.09 0.00 0.00 57.88 58.00 3g0f h LEU 647 Cb 0.74 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.23 3g0f h LEU 647 CO 0.06 0.79 -0.03 0.61 0.09 0.00 0.00 178.44 179.96 3g0f n GLY 648 N -1.22 -1.96 3.84 0.83 0.00 -1.10 -4.94 105.19 100.64 3g0f n GLY 648 Ca 0.09 -1.38 -0.32 0.00 0.00 0.00 0.00 46.02 44.41 3g0f n GLY 648 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3g0f s ASN 649 N -3.75 6.78 -0.12 1.61 0.02 -1.26 -4.93 114.94 113.29 3g0f s ASN 649 Ca 0.00 1.52 -0.29 0.00 -1.02 0.00 0.00 52.86 53.07 3g0f s ASN 649 Cb 0.00 -2.48 0.07 0.00 0.02 0.00 0.00 41.25 38.86 3g0f s ASN 649 CO 0.00 -0.40 0.69 -2.28 0.02 0.00 0.00 177.10 175.14 3g0f s HIS 650 N -2.29 -0.70 0.59 2.20 2.46 -1.26 -5.04 115.29 111.25 3g0f s HIS 650 Ca 0.59 1.38 0.42 0.00 0.47 0.00 0.00 55.06 57.92 3g0f s HIS 650 Cb -0.10 0.37 2.24 0.00 -0.13 0.00 0.00 32.58 34.96 3g0f s HIS 650 CO 0.21 -0.54 2.31 1.98 -2.47 0.00 0.00 174.74 176.24 3g0f h MET 651 N 3.63 0.00 -0.26 2.88 4.05 -1.98 -2.91 114.93 120.34 3g0f h MET 651 Ca -0.28 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.14 3g0f h MET 651 Cb 1.15 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.95 3g0f h MET 651 CO 0.28 0.00 0.00 0.09 0.23 0.00 0.00 176.91 177.52 3g0f n ASN 652 N -3.16 3.30 -4.46 1.39 4.13 -1.26 -4.75 115.26 110.44 3g0f n ASN 652 Ca -0.03 -2.56 -0.23 0.00 1.68 0.00 0.00 54.58 53.44 3g0f n ASN 652 Cb 0.10 -0.38 -0.10 0.00 -1.54 0.00 0.00 39.78 37.86 3g0f n ASN 652 CO 0.00 0.00 0.00 0.27 0.28 0.00 0.00 177.26 177.81 3g0f s ILE 653 N -2.00 2.32 -0.02 2.41 -4.36 -1.10 -0.58 121.20 117.88 3g0f s ILE 653 Ca 0.31 -2.34 -0.30 0.00 -0.26 0.00 0.00 60.65 58.06 3g0f s ILE 653 Cb 0.23 -2.33 -0.04 0.00 1.25 0.00 0.00 42.46 41.57 3g0f s ILE 653 CO 0.11 -0.39 1.26 -0.69 0.24 0.00 0.00 174.94 175.47 3g0f s VAL 654 N -2.60 4.03 0.13 8.37 1.01 -0.36 -4.76 120.40 126.22 3g0f s VAL 654 Ca 0.29 1.40 -0.00 0.00 0.00 0.00 0.00 61.98 63.67 3g0f s VAL 654 Cb -0.03 -3.90 -0.04 0.00 0.00 0.00 0.00 36.38 32.41 3g0f s VAL 654 CO 0.14 0.02 0.30 0.20 0.00 0.00 0.00 175.10 175.76 3g0f s ASN 655 N 1.52 6.38 0.21 3.32 0.01 -1.26 -4.89 114.94 120.24 3g0f s ASN 655 Ca 0.59 0.32 -0.30 0.00 -0.71 0.00 0.00 52.86 52.76 3g0f s ASN 655 Cb -0.28 -1.98 -0.09 0.00 0.41 0.00 0.00 41.25 39.32 3g0f s ASN 655 CO 0.25 0.07 1.21 -0.22 -1.51 0.00 0.00 177.10 176.89 3g0f s LEU 656 N -2.94 4.46 -0.02 0.60 2.96 -1.26 -2.36 118.68 120.12 3g0f s LEU 656 Ca 0.37 2.31 0.04 0.00 -0.22 0.00 0.00 54.13 56.62 3g0f s LEU 656 Cb -0.12 -3.61 -0.06 0.00 0.50 0.00 0.00 46.19 42.90 3g0f s LEU 656 CO 0.28 -0.38 0.05 0.18 -1.32 0.00 0.00 176.35 175.16 3g0f n LEU 657 N 2.18 0.00 0.00 -0.68 4.77 0.10 -4.95 117.00 118.42 3g0f n LEU 657 Ca 0.03 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 3g0f n LEU 657 Cb 0.44 0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 3g0f n LEU 657 CO 0.56 0.05 0.00 0.61 -1.33 0.00 0.00 177.39 177.28 3g0f n GLY 658 N 2.52 0.30 3.07 -0.72 0.00 -1.06 -5.01 105.19 104.29 3g0f n GLY 658 Ca -0.04 -1.05 -0.09 0.00 0.00 0.00 0.00 46.02 44.84 3g0f n GLY 658 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g0f s ALA 659 N -2.00 -0.03 -0.25 4.61 0.00 0.44 -0.43 121.76 124.10 3g0f s ALA 659 Ca 0.00 -0.52 -0.02 0.00 0.00 0.00 0.00 51.96 51.42 3g0f s ALA 659 Cb 0.00 0.19 0.02 0.00 0.00 0.00 0.00 23.12 23.33 3g0f s ALA 659 CO 0.00 -0.25 -0.05 0.00 0.00 0.00 0.00 175.76 175.46 3g0f n THR 661 N 4.68 0.00 -3.47 0.00 -2.24 -1.26 -0.29 114.28 111.70 3g0f n THR 661 Ca -0.16 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.27 3g0f n THR 661 Cb 0.47 -0.79 -0.06 0.00 -2.10 0.00 0.00 70.33 67.85 3g0f n THR 661 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 3g0f s ILE 662 N -1.96 4.98 0.00 2.28 -4.36 -1.26 -4.48 121.20 116.40 3g0f s ILE 662 Ca 0.00 0.58 0.00 0.00 -0.26 0.00 0.00 60.65 60.97 3g0f s ILE 662 Cb 0.00 -3.68 0.00 0.00 1.25 0.00 0.00 42.46 40.03 3g0f s ILE 662 CO 0.00 0.20 0.00 0.61 0.24 0.00 0.00 174.94 175.99 3g0f n GLY 663 N 0.65 0.60 0.00 6.27 0.00 -1.26 -4.94 105.19 106.52 3g0f n GLY 663 Ca -0.05 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.18 3g0f n GLY 663 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3g0f n GLY 664 N -1.71 0.86 3.68 -0.02 0.00 -1.26 -5.09 105.19 101.64 3g0f n GLY 664 Ca 0.00 -1.87 -0.37 0.00 0.00 0.00 0.00 46.02 43.78 3g0f n GLY 664 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3g0f n PRO 665 N -0.07 1.02 -1.99 1.61 -0.02 -1.26 -4.80 135.00 129.49 3g0f n PRO 665 Ca 0.00 0.40 -0.42 0.00 -2.02 0.00 0.00 63.50 61.46 3g0f n PRO 665 Cb 0.00 -2.38 -0.03 0.00 -0.02 0.00 0.00 33.50 31.07 3g0f n PRO 665 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3g0f s THR 666 N -1.44 2.80 -0.11 3.45 2.01 -1.26 -4.68 115.64 116.41 3g0f s THR 666 Ca 0.80 0.56 0.03 0.00 0.31 0.00 0.00 61.69 63.39 3g0f s THR 666 Cb -0.39 -3.36 0.00 0.00 0.01 0.00 0.00 72.50 68.76 3g0f s THR 666 CO 0.43 0.04 -0.23 -0.76 -0.69 0.00 0.00 174.62 173.41 3g0f s LEU 667 N 1.24 2.09 -0.32 4.42 1.43 0.60 -4.48 118.68 123.66 3g0f s LEU 667 Ca 0.69 -0.57 -0.07 0.00 -1.03 0.00 0.00 54.13 53.14 3g0f s LEU 667 Cb -0.42 -1.41 0.02 0.00 0.03 0.00 0.00 46.19 44.41 3g0f s LEU 667 CO 0.31 0.13 0.11 -0.69 0.23 0.00 0.00 176.35 176.44 3g0f s VAL 668 N 0.53 4.03 -0.23 -1.59 1.01 -0.48 -0.99 120.40 122.69 3g0f s VAL 668 Ca -0.14 -0.86 -0.16 0.00 0.00 0.00 0.00 61.98 60.82 3g0f s VAL 668 Cb -0.17 -3.18 -0.04 0.00 0.00 0.00 0.00 36.38 32.99 3g0f s VAL 668 CO 0.05 -0.07 0.39 -0.63 0.00 0.00 0.00 175.10 174.85 3g0f s ILE 669 N 1.48 5.19 0.38 2.22 1.01 0.42 -0.85 121.20 131.05 3g0f s ILE 669 Ca 0.01 0.67 0.05 0.00 0.00 0.00 0.00 60.65 61.38 3g0f s ILE 669 Cb -0.18 -3.72 -0.02 0.00 0.01 0.00 0.00 42.46 38.54 3g0f s ILE 669 CO 0.03 0.22 0.20 0.42 0.00 0.00 0.00 174.94 175.81 3g0f s THR 670 N 1.59 0.31 0.26 2.92 -4.23 0.31 0.01 115.64 116.81 3g0f s THR 670 Ca 0.18 -2.00 -0.30 0.00 -1.18 0.00 0.00 61.69 58.39 3g0f s THR 670 Cb -0.15 -2.39 -0.09 0.00 1.34 0.00 0.00 72.50 71.20 3g0f s THR 670 CO 0.08 0.00 1.25 -1.61 -0.54 0.00 0.00 174.62 173.81 3g0f s GLU 671 N -3.59 4.44 0.03 3.99 2.02 -0.99 -0.77 118.70 123.83 3g0f s GLU 671 Ca 0.30 2.04 -0.24 0.00 0.02 0.00 0.00 54.97 57.09 3g0f s GLU 671 Cb 0.02 -3.16 -0.05 0.00 0.10 0.00 0.00 34.13 31.04 3g0f s GLU 671 CO 0.20 -0.12 0.74 -0.47 0.02 0.00 0.00 175.26 175.63 3g0f s TYR 672 N -0.57 3.72 -0.35 1.61 5.04 -1.26 -4.34 117.35 121.20 3g0f s TYR 672 Ca 0.51 1.43 -0.00 0.00 -2.44 0.00 0.00 57.07 56.57 3g0f s TYR 672 Cb -0.36 -2.79 0.09 0.00 0.35 0.00 0.00 41.96 39.25 3g0f s TYR 672 CO 0.43 0.28 0.09 0.00 -1.34 0.00 0.00 175.55 175.01 3g0f n TYR 675 N -3.94 0.00 -4.08 0.00 4.02 -0.60 -5.04 117.16 107.51 3g0f n TYR 675 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.87 3g0f n TYR 675 Cb 0.23 -0.10 0.00 0.00 -0.02 0.00 0.00 39.34 39.45 3g0f n TYR 675 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3g0f n GLY 676 N 1.24 -1.81 3.86 2.72 0.00 -0.79 -4.76 105.19 105.66 3g0f n GLY 676 Ca 0.16 -1.36 -0.31 0.00 0.00 0.00 0.00 46.02 44.51 3g0f n GLY 676 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3g0f s ASP 677 N -4.00 6.51 0.21 1.61 1.47 -1.26 -0.41 116.67 120.80 3g0f s ASP 677 Ca 0.00 1.43 0.09 0.00 1.18 0.00 0.00 52.55 55.24 3g0f s ASP 677 Cb 0.00 -2.45 0.14 0.00 -0.34 0.00 0.00 42.92 40.27 3g0f s ASP 677 CO 0.00 -0.61 1.49 0.25 0.68 0.00 0.00 175.17 176.97 3g0f h LEU 678 N 0.69 0.03 0.27 2.11 5.85 -0.43 -2.82 115.31 121.00 3g0f h LEU 678 Ca -0.46 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.22 3g0f h LEU 678 Cb 1.19 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.21 3g0f h LEU 678 CO 0.62 0.78 -0.13 0.25 -0.34 0.00 0.00 178.44 179.62 3g0f h LEU 679 N 0.01 -0.30 -1.43 2.25 5.85 -1.79 -0.31 115.31 119.59 3g0f h LEU 679 Ca -0.01 -0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.68 3g0f h LEU 679 Cb 1.34 0.08 -0.02 0.00 0.37 0.00 0.00 40.66 42.43 3g0f h LEU 679 CO 0.10 -0.18 0.30 0.78 -0.34 0.00 0.00 178.44 179.10 3g0f h ASN 680 N -0.41 0.60 -0.56 1.25 2.35 -1.90 -1.87 115.58 115.04 3g0f h ASN 680 Ca -0.04 -0.03 -0.09 0.00 -0.55 0.00 0.00 56.30 55.59 3g0f h ASN 680 Cb 0.31 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.51 3g0f h ASN 680 CO 0.06 0.47 0.01 0.15 -1.65 0.00 0.00 177.43 176.47 3g0f h PHE 681 N 0.69 1.08 -0.47 1.19 3.57 -1.22 -2.17 116.94 119.60 3g0f h PHE 681 Ca 0.18 -0.18 -0.10 0.00 3.53 0.00 0.00 57.97 61.40 3g0f h PHE 681 Cb -0.01 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 38.43 3g0f h PHE 681 CO 0.00 0.96 -0.08 -0.07 -2.23 0.00 0.00 178.31 176.90 3g0f h LEU 682 N 0.88 0.89 -0.25 0.59 3.38 -0.37 -2.29 115.31 118.14 3g0f h LEU 682 Ca 0.16 -0.35 -0.02 0.00 0.09 0.00 0.00 57.88 57.77 3g0f h LEU 682 Cb 0.53 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 3g0f h LEU 682 CO 0.03 1.02 0.08 0.03 0.09 0.00 0.00 178.44 179.69 3g0f h ARG 683 N 0.73 0.39 0.00 1.13 3.08 -1.30 0.15 114.38 118.56 3g0f h ARG 683 Ca 0.12 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 60.09 3g0f h ARG 683 Cb 0.62 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.61 3g0f h ARG 683 CO 0.04 0.46 0.00 0.07 -1.07 0.00 0.00 179.97 179.47 3g0f h ARG 684 N 0.24 0.00 -0.02 0.04 0.11 -1.37 -1.71 114.38 111.66 3g0f h ARG 684 Ca 0.08 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.16 3g0f h ARG 684 Cb 0.24 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.32 3g0f h ARG 684 CO -0.00 0.00 -0.32 1.63 0.10 0.00 0.00 179.97 181.38 3g0f n LYS 685 N -2.36 1.54 0.30 0.08 4.76 -0.86 -4.31 118.16 117.30 3g0f n LYS 685 Ca 0.03 -1.26 0.18 0.00 -2.87 0.00 0.00 58.31 54.39 3g0f n LYS 685 Cb 0.31 -1.47 0.94 0.00 -1.84 0.00 0.00 35.03 32.96 3g0f n LYS 685 CO 0.00 0.00 0.00 -0.09 -1.37 0.00 0.00 177.40 175.94 3g0f h ARG 686 N 3.06 0.00 0.80 1.97 2.43 0.01 -3.06 114.38 119.59 3g0f h ARG 686 Ca 0.00 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.13 3g0f h ARG 686 Cb 0.81 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.37 3g0f h ARG 686 CO 0.00 0.04 -0.39 -0.44 -1.51 0.00 0.00 179.97 177.67 3g0f h ASP 687 N 0.00 -0.91 -3.12 -3.80 3.45 -1.75 -3.42 116.42 106.86 3g0f h ASP 687 Ca -0.00 0.03 -0.59 0.00 0.43 0.00 0.00 57.03 56.90 3g0f h ASP 687 Cb 0.18 0.24 -0.04 0.00 -0.56 0.00 0.00 39.33 39.15 3g0f h ASP 687 CO 0.00 -0.58 -0.24 -0.94 -1.57 0.00 0.00 179.24 175.92 3g0f s SER 688 N -4.09 6.65 0.00 6.45 1.04 -1.16 -5.23 113.70 117.36 3g0f s SER 688 Ca -0.16 0.81 0.00 0.00 0.48 0.00 0.00 55.95 57.08 3g0f s SER 688 Cb 0.02 -2.18 0.00 0.00 0.10 0.00 0.00 66.02 63.95 3g0f s SER 688 CO 0.47 0.17 0.00 0.33 0.98 0.00 0.00 173.24 175.19 3g0f n PHE 689 N 0.89 0.00 -0.83 5.02 -0.00 -1.26 -4.88 117.46 116.40 3g0f n PHE 689 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.37 3g0f n PHE 689 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 40.00 3g0f n PHE 689 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.76 176.65 3g0f n LEU 764 N 0.00 0.00 0.00 -2.13 7.94 -1.26 -4.90 117.00 116.65 3g0f n LEU 764 Ca 0.00 0.43 -0.20 0.00 -1.11 0.00 0.00 56.01 55.13 3g0f n LEU 764 Cb 0.00 -0.93 -0.08 0.00 0.53 0.00 0.00 43.42 42.95 3g0f n LEU 764 CO 0.00 0.00 -0.10 -0.90 -1.11 0.00 0.00 177.39 175.28 3g0f n ASP 765 N 0.02 -0.62 0.30 1.96 3.85 -1.26 -5.04 116.55 115.76 3g0f n ASP 765 Ca 0.00 -3.18 0.17 0.00 -0.71 0.00 0.00 54.79 51.07 3g0f n ASP 765 Cb 0.00 1.64 0.94 0.00 -1.35 0.00 0.00 41.12 42.34 3g0f n ASP 765 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.20 176.44 3g0f h LEU 766 N 0.00 0.00 -1.03 -2.12 5.85 -1.98 -1.85 115.31 114.18 3g0f h LEU 766 Ca -0.24 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.38 3g0f h LEU 766 Cb 1.19 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.21 3g0f h LEU 766 CO 0.35 0.04 -0.43 -0.33 -0.34 0.00 0.00 178.44 177.72 3g0f h GLU 767 N 0.00 0.11 0.01 1.25 4.39 -2.00 -2.70 114.58 115.64 3g0f h GLU 767 Ca -0.00 -0.05 -0.22 0.00 0.34 0.00 0.00 59.36 59.43 3g0f h GLU 767 Cb 0.14 -0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.79 3g0f h GLU 767 CO 0.00 0.53 -0.93 -0.44 -1.16 0.00 0.00 179.01 177.01 3g0f h ASP 768 N 0.09 0.40 0.42 1.42 3.32 -1.75 -2.74 116.42 117.58 3g0f h ASP 768 Ca 0.01 -0.33 -0.07 0.00 0.02 0.00 0.00 57.03 56.66 3g0f h ASP 768 Cb 0.81 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.23 3g0f h ASP 768 CO 0.06 1.13 -0.34 -0.07 -1.72 0.00 0.00 179.24 178.30 3g0f h LEU 769 N 0.16 0.00 -0.40 1.55 3.38 -1.49 -0.28 115.31 118.23 3g0f h LEU 769 Ca -0.07 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.78 3g0f h LEU 769 Cb 1.57 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.31 3g0f h LEU 769 CO 0.15 0.34 -0.22 -0.07 0.09 0.00 0.00 178.44 178.73 3g0f h LEU 770 N 0.00 0.89 -0.45 1.67 3.38 -1.37 -2.18 115.31 117.25 3g0f h LEU 770 Ca -0.00 -0.41 -0.07 0.00 0.09 0.00 0.00 57.88 57.48 3g0f h LEU 770 Cb 0.64 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 3g0f h LEU 770 CO 0.04 1.11 -0.01 -1.28 0.09 0.00 0.00 178.44 178.39 3g0f h SER 771 N 0.68 0.79 -0.99 -0.43 0.87 -1.09 -1.94 113.55 111.44 3g0f h SER 771 Ca 0.09 -0.31 0.06 0.00 -1.23 0.00 0.00 61.79 60.39 3g0f h SER 771 Cb 0.78 -0.21 -0.06 0.00 -0.44 0.00 0.00 62.40 62.47 3g0f h SER 771 CO 0.06 0.91 0.64 -0.26 -0.53 0.00 0.00 176.83 177.65 3g0f h PHE 772 N 0.65 1.18 -0.41 2.24 0.05 -1.00 -0.38 116.94 119.27 3g0f h PHE 772 Ca 0.13 0.03 -0.01 0.00 3.82 0.00 0.00 57.97 61.94 3g0f h PHE 772 Cb 0.51 -0.39 -0.02 0.00 2.00 0.00 0.00 35.95 38.05 3g0f h PHE 772 CO 0.04 0.63 0.21 0.77 -0.18 0.00 0.00 178.31 179.78 3g0f h SER 773 N 1.18 0.52 -0.04 2.17 0.02 -1.13 -1.81 113.55 114.47 3g0f h SER 773 Ca 0.42 -0.11 -0.01 0.00 -0.84 0.00 0.00 61.79 61.24 3g0f h SER 773 Cb 0.12 -0.13 -0.00 0.00 0.14 0.00 0.00 62.40 62.53 3g0f h SER 773 CO -0.16 0.48 -0.03 0.22 -1.14 0.00 0.00 176.83 176.20 3g0f h TYR 774 N 0.52 0.10 -0.71 3.45 -0.00 -0.82 -2.20 116.97 117.31 3g0f h TYR 774 Ca 0.14 -0.03 0.01 0.00 -0.00 0.00 0.00 58.73 58.85 3g0f h TYR 774 Cb 0.09 -0.02 -0.04 0.00 -0.00 0.00 0.00 36.73 36.76 3g0f h TYR 774 CO -0.02 0.54 0.47 1.96 -0.00 0.00 0.00 178.16 181.11 3g0f h GLN 775 N -0.36 0.93 -0.30 1.82 4.20 -1.06 0.19 115.11 120.52 3g0f h GLN 775 Ca 0.01 -0.06 -0.15 0.00 0.06 0.00 0.00 58.65 58.51 3g0f h GLN 775 Cb 0.52 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 28.08 3g0f h GLN 775 CO 0.01 0.62 -0.42 0.28 -0.67 0.00 0.00 178.83 178.65 3g0f h VAL 776 N 0.96 1.29 -0.58 -0.54 2.07 -1.31 -0.18 116.25 117.95 3g0f h VAL 776 Ca 0.26 -1.60 -0.06 0.00 0.82 0.00 0.00 66.70 66.12 3g0f h VAL 776 Cb -0.11 1.50 -0.03 0.00 -1.52 0.00 0.00 31.29 31.14 3g0f h VAL 776 CO -0.06 0.52 0.12 0.00 0.02 0.00 0.00 177.57 178.17 3g0f h ALA 777 N 0.92 1.12 -0.56 1.67 0.00 -1.02 -1.08 119.26 120.30 3g0f h ALA 777 Ca 0.05 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.67 3g0f h ALA 777 Cb 0.97 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 3g0f h ALA 777 CO 0.09 0.59 0.13 0.87 0.00 0.00 0.00 179.25 180.93 3g0f h LYS 778 N 0.87 0.87 -0.41 0.00 1.57 -0.03 0.33 116.57 119.78 3g0f h LYS 778 Ca 0.19 -0.18 -0.13 0.00 -1.87 0.00 0.00 60.65 58.65 3g0f h LYS 778 Cb 0.34 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 3g0f h LYS 778 CO 0.00 0.79 -0.27 0.78 -0.57 0.00 0.00 179.45 180.18 3g0f h GLY 779 N 0.99 0.94 1.17 3.86 0.00 -0.59 -2.03 103.07 107.41 3g0f h GLY 779 Ca 0.18 -0.85 -0.22 0.00 0.00 0.00 0.00 47.33 46.44 3g0f h GLY 779 CO -0.00 0.78 -0.73 -0.33 0.00 0.00 0.00 176.54 176.26 3g0f h MET 780 N 0.74 0.82 -0.66 4.80 2.86 -0.98 -1.84 114.93 120.67 3g0f h MET 780 Ca 0.09 -0.64 0.08 0.00 -2.06 0.00 0.00 59.70 57.17 3g0f h MET 780 Cb 0.82 0.12 -0.04 0.00 0.06 0.00 0.00 31.60 32.56 3g0f h MET 780 CO 0.07 1.25 0.44 0.00 1.06 0.00 0.00 176.91 179.73 3g0f h ALA 781 N 0.58 1.85 -0.14 6.32 0.00 -0.84 0.20 119.26 127.24 3g0f h ALA 781 Ca -0.04 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.73 3g0f h ALA 781 Cb 1.36 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3g0f h ALA 781 CO 0.15 0.03 -0.41 0.35 0.00 0.00 0.00 179.25 179.38 3g0f h PHE 782 N 0.59 0.67 -0.55 0.00 3.57 -1.12 -2.04 116.94 118.05 3g0f h PHE 782 Ca 0.30 -0.27 -0.02 0.00 3.53 0.00 0.00 57.97 61.51 3g0f h PHE 782 Cb 0.39 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 38.99 3g0f h PHE 782 CO -0.00 1.02 0.27 -0.07 -2.23 0.00 0.00 178.31 177.29 3g0f h LEU 783 N 0.13 0.71 -1.22 0.59 3.38 -0.51 -2.21 115.31 116.19 3g0f h LEU 783 Ca -0.01 -0.13 0.08 0.00 0.09 0.00 0.00 57.88 57.91 3g0f h LEU 783 Cb 1.03 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 41.53 3g0f h LEU 783 CO 0.09 0.64 0.56 0.00 0.09 0.00 0.00 178.44 179.82 3g0f h ALA 784 N 1.10 1.61 0.00 1.53 0.00 -0.61 0.85 119.26 123.74 3g0f h ALA 784 Ca 0.19 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 3g0f h ALA 784 Cb 0.11 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3g0f h ALA 784 CO -0.02 0.24 -0.18 0.66 0.00 0.00 0.00 179.25 179.95 3g0f h SER 785 N 0.91 0.00 -0.55 0.00 4.64 -0.75 0.97 113.55 118.77 3g0f h SER 785 Ca 0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.70 3g0f h SER 785 Cb 0.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 3g0f h SER 785 CO -0.15 0.18 0.00 0.29 -0.87 0.00 0.00 176.83 176.28 3g0f n LYS 786 N -3.36 2.82 -2.75 4.77 4.76 -0.74 -4.93 118.16 118.73 3g0f n LYS 786 Ca 0.00 -2.21 -0.16 0.00 -2.87 0.00 0.00 58.31 53.07 3g0f n LYS 786 Cb 0.39 -1.63 0.02 0.00 -1.84 0.00 0.00 35.03 31.97 3g0f n LYS 786 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3g0f n ASN 787 N 1.02 -4.89 -4.61 4.39 4.13 0.33 -5.02 115.26 110.62 3g0f n ASN 787 Ca 0.20 -0.19 -0.30 0.00 1.68 0.00 0.00 54.58 55.98 3g0f n ASN 787 Cb 0.63 -3.78 -0.09 0.00 -1.54 0.00 0.00 39.78 34.99 3g0f n ASN 787 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3g0f s ILE 789 N -1.23 2.45 -0.22 0.00 1.09 -1.26 -3.45 121.20 118.58 3g0f s ILE 789 Ca 0.22 -1.65 -0.07 0.00 -1.10 0.00 0.00 60.65 58.05 3g0f s ILE 789 Cb -0.11 -2.09 -0.03 0.00 -1.06 0.00 0.00 42.46 39.16 3g0f s ILE 789 CO 0.15 0.11 0.07 -2.28 -0.10 0.00 0.00 174.94 172.89 3g0f s HIS 790 N -1.07 3.15 -2.09 3.97 2.46 -1.26 -5.00 115.29 115.45 3g0f s HIS 790 Ca 0.15 -0.18 0.29 0.00 0.47 0.00 0.00 55.06 55.79 3g0f s HIS 790 Cb -0.10 -2.17 1.64 0.00 -0.13 0.00 0.00 32.58 31.82 3g0f s HIS 790 CO 0.07 -0.12 2.07 0.54 -2.47 0.00 0.00 174.74 174.82 3g0f n ARG 791 N 4.30 1.13 -2.69 2.88 1.74 -1.26 -4.20 116.66 118.56 3g0f n ARG 791 Ca -0.16 -0.19 -0.05 0.00 -0.77 0.00 0.00 57.85 56.68 3g0f n ARG 791 Cb 0.52 -1.47 0.12 0.00 -1.02 0.00 0.00 32.46 30.61 3g0f n ARG 791 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3g0f n ASP 792 N -0.74 -1.69 -4.65 0.55 4.64 -1.26 -4.97 116.55 108.42 3g0f n ASP 792 Ca 0.22 -2.38 -0.43 0.00 -1.38 0.00 0.00 54.79 50.82 3g0f n ASP 792 Cb 0.15 0.88 -0.03 0.00 -1.04 0.00 0.00 41.12 41.08 3g0f n ASP 792 CO 0.00 0.00 0.00 -0.22 -0.82 0.00 0.00 177.20 176.16 3g0f s LEU 793 N -3.52 4.13 -0.17 -2.67 2.96 -1.26 -4.71 118.68 113.44 3g0f s LEU 793 Ca 0.18 1.94 -0.29 0.00 -0.22 0.00 0.00 54.13 55.74 3g0f s LEU 793 Cb 0.42 -3.53 0.12 0.00 0.50 0.00 0.00 46.19 43.69 3g0f s LEU 793 CO -0.10 -1.05 0.95 0.00 -1.32 0.00 0.00 176.35 174.84 3g0f s ALA 794 N 4.48 -1.92 0.51 5.97 0.00 -1.26 -4.81 121.76 124.74 3g0f s ALA 794 Ca 0.71 1.63 0.28 0.00 0.00 0.00 0.00 51.96 54.57 3g0f s ALA 794 Cb -0.29 -0.79 1.38 0.00 0.00 0.00 0.00 23.12 23.42 3g0f s ALA 794 CO 0.28 -0.30 1.88 0.00 0.00 0.00 0.00 175.76 177.62 3g0f h ALA 795 N 3.04 2.67 0.00 0.00 0.00 -1.91 0.30 119.26 123.35 3g0f h ALA 795 Ca -0.22 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3g0f h ALA 795 Cb 1.16 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3g0f h ALA 795 CO 0.27 -0.93 0.00 0.07 0.00 0.00 0.00 179.25 178.66 3g0f h ARG 796 N 0.10 0.00 -0.58 0.00 0.11 -1.94 -2.24 114.38 109.83 3g0f h ARG 796 Ca 0.43 0.00 -0.23 0.00 0.10 0.00 0.00 59.98 60.28 3g0f h ARG 796 Cb 1.55 0.00 -0.14 0.00 1.11 0.00 0.00 29.97 32.49 3g0f h ARG 796 CO -0.05 0.00 0.19 0.09 0.10 0.00 0.00 179.97 180.29 3g0f n ASN 797 N -2.83 3.65 -4.25 0.08 5.03 0.10 -4.84 115.26 112.22 3g0f n ASN 797 Ca -0.00 -3.45 -0.33 0.00 0.87 0.00 0.00 54.58 51.66 3g0f n ASN 797 Cb 0.21 -0.69 -0.15 0.00 -1.02 0.00 0.00 39.78 38.13 3g0f n ASN 797 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3g0f s ILE 798 N -3.12 2.67 0.23 2.41 -1.09 -0.85 -1.67 121.20 119.78 3g0f s ILE 798 Ca 0.50 -0.76 0.06 0.00 -2.23 0.00 0.00 60.65 58.22 3g0f s ILE 798 Cb 0.42 -2.14 -0.03 0.00 -1.58 0.00 0.00 42.46 39.12 3g0f s ILE 798 CO 0.08 0.51 0.24 -0.76 -1.23 0.00 0.00 174.94 173.77 3g0f s LEU 799 N 1.00 3.98 -0.09 2.97 1.43 0.12 0.06 118.68 128.16 3g0f s LEU 799 Ca -0.02 -0.12 0.04 0.00 -1.03 0.00 0.00 54.13 53.00 3g0f s LEU 799 Cb -0.15 -2.53 -0.00 0.00 0.03 0.00 0.00 46.19 43.54 3g0f s LEU 799 CO -0.03 -0.03 -0.23 -0.22 0.23 0.00 0.00 176.35 176.08 3g0f s LEU 800 N -3.75 2.18 0.00 1.79 1.98 0.45 -0.97 118.68 120.36 3g0f s LEU 800 Ca 0.33 -0.51 0.00 0.00 -2.89 0.00 0.00 54.13 51.06 3g0f s LEU 800 Cb -0.09 -1.43 0.00 0.00 0.66 0.00 0.00 46.19 45.33 3g0f s LEU 800 CO 0.26 0.19 0.00 1.07 -1.89 0.00 0.00 176.35 175.98 3g0f n THR 801 N 3.36 0.00 -0.89 3.68 5.66 -0.54 -1.56 114.28 123.98 3g0f n THR 801 Ca -0.18 0.00 -0.29 0.00 -3.05 0.00 0.00 64.05 60.52 3g0f n THR 801 Cb 0.53 0.00 0.18 0.00 -1.55 0.00 0.00 70.33 69.49 3g0f n THR 801 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 175.07 171.02 3g0f s HIS 802 N -0.81 1.85 -0.77 1.09 3.76 -1.26 -3.50 115.29 115.65 3g0f s HIS 802 Ca 0.00 1.30 0.00 0.00 -0.15 0.00 0.00 55.06 56.21 3g0f s HIS 802 Cb 0.00 -3.18 0.00 0.00 1.11 0.00 0.00 32.58 30.51 3g0f s HIS 802 CO 0.00 -3.01 0.00 0.41 -0.85 0.00 0.00 174.74 171.29 3g0f n GLY 803 N -0.25 0.91 2.38 -2.22 0.00 -1.26 -2.15 105.19 102.60 3g0f n GLY 803 Ca 0.06 -0.42 -0.16 0.00 0.00 0.00 0.00 46.02 45.51 3g0f n GLY 803 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3g0f n ARG 804 N -2.27 -1.16 -3.20 1.61 5.12 -1.25 -4.97 116.66 110.54 3g0f n ARG 804 Ca -0.07 0.92 -0.39 0.00 -1.93 0.00 0.00 57.85 56.38 3g0f n ARG 804 Cb 0.30 -5.18 -0.05 0.00 -1.16 0.00 0.00 32.46 26.37 3g0f n ARG 804 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 3g0f s ILE 805 N -2.67 5.06 -0.01 0.55 -1.09 -0.91 -4.97 121.20 117.15 3g0f s ILE 805 Ca 0.00 1.19 0.00 0.00 -2.23 0.00 0.00 60.65 59.62 3g0f s ILE 805 Cb 0.00 -3.92 -0.04 0.00 -1.58 0.00 0.00 42.46 36.92 3g0f s ILE 805 CO 0.00 0.34 0.03 0.42 -1.23 0.00 0.00 174.94 174.49 3g0f s THR 806 N 0.40 4.37 -0.07 2.92 -4.23 -1.26 -1.47 115.64 116.30 3g0f s THR 806 Ca 0.31 -0.49 0.00 0.00 -1.18 0.00 0.00 61.69 60.34 3g0f s THR 806 Cb -0.17 -2.95 0.02 0.00 1.34 0.00 0.00 72.50 70.74 3g0f s THR 806 CO 0.15 0.40 -0.05 -0.54 -0.54 0.00 0.00 174.62 174.04 3g0f s LYS 807 N -1.53 1.05 0.29 3.99 1.02 -0.14 -4.43 119.74 119.99 3g0f s LYS 807 Ca 0.20 -0.13 -0.29 0.00 0.02 0.00 0.00 55.97 55.76 3g0f s LYS 807 Cb -0.12 -1.10 -0.10 0.00 -0.52 0.00 0.00 37.83 35.99 3g0f s LYS 807 CO 0.10 -0.15 1.34 0.42 -0.92 0.00 0.00 175.35 176.14 3g0f s ILE 808 N 1.28 2.78 0.02 2.17 1.01 0.26 -0.70 121.20 128.01 3g0f s ILE 808 Ca -0.05 0.73 0.03 0.00 0.00 0.00 0.00 60.65 61.36 3g0f s ILE 808 Cb -0.14 -3.46 -0.01 0.00 0.01 0.00 0.00 42.46 38.85 3g0f s ILE 808 CO -0.02 0.15 -0.10 0.00 0.00 0.00 0.00 174.94 174.97 3g0f s ASP 810 N -0.74 6.27 0.00 0.00 3.68 -1.26 -4.82 116.67 119.80 3g0f s ASP 810 Ca -0.00 -0.66 0.07 0.00 2.13 0.00 0.00 52.55 54.08 3g0f s ASP 810 Cb -0.06 -2.34 0.23 0.00 -1.45 0.00 0.00 42.92 39.30 3g0f s ASP 810 CO 0.00 -0.99 1.18 0.49 0.13 0.00 0.00 175.17 175.98 3g0f n PHE 811 N 6.60 0.24 -1.53 -5.34 3.01 -1.26 -4.95 117.46 114.23 3g0f n PHE 811 Ca -0.03 -0.12 -0.54 0.00 1.01 0.00 0.00 57.45 57.76 3g0f n PHE 811 Cb 0.46 0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 39.87 3g0f n PHE 811 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3g0f n GLY 812 N 0.82 -0.08 3.23 1.37 0.00 -1.26 -1.51 105.19 107.76 3g0f n GLY 812 Ca 0.07 0.68 0.00 0.00 0.00 0.00 0.00 46.02 46.77 3g0f n GLY 812 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3g0f n LEU 813 N 1.95 0.00 -0.61 0.99 4.32 -1.26 -4.80 117.00 117.59 3g0f n LEU 813 Ca 0.19 0.00 0.05 0.00 -0.02 0.00 0.00 56.01 56.23 3g0f n LEU 813 Cb 0.15 -0.03 0.20 0.00 -1.62 0.00 0.00 43.42 42.12 3g0f n LEU 813 CO 0.61 0.00 0.41 0.00 -1.22 0.00 0.00 177.39 177.19 3g0f n ALA 814 N 0.08 3.61 -3.29 -1.18 0.00 -0.57 -3.38 120.51 115.78 3g0f n ALA 814 Ca 0.00 -3.23 -0.13 0.00 0.00 0.00 0.00 53.44 50.08 3g0f n ALA 814 Cb 0.00 -0.39 -0.14 0.00 0.00 0.00 0.00 19.45 18.92 3g0f n ALA 814 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3g0f s ARG 815 N -3.21 0.09 -0.10 0.00 3.52 -1.23 -2.55 118.95 115.48 3g0f s ARG 815 Ca 0.38 0.21 -0.05 0.00 -0.13 0.00 0.00 55.73 56.14 3g0f s ARG 815 Cb 0.37 -0.05 -0.04 0.00 -1.56 0.00 0.00 34.95 33.67 3g0f s ARG 815 CO -0.05 -0.08 0.12 -1.58 -0.81 0.00 0.00 175.30 172.90 3g0f s HIS 816 N 0.50 3.51 0.00 5.12 5.65 -1.14 -4.41 115.29 124.52 3g0f s HIS 816 Ca -0.04 0.45 0.00 0.00 0.25 0.00 0.00 55.06 55.72 3g0f s HIS 816 Cb -0.05 -1.90 0.00 0.00 -1.18 0.00 0.00 32.58 29.45 3g0f s HIS 816 CO -0.02 0.68 0.00 0.44 -0.65 0.00 0.00 174.74 175.19 3g0f n ILE 817 N 1.87 0.00 0.20 0.89 -5.35 -1.26 -4.54 119.36 111.17 3g0f n ILE 817 Ca -0.19 -0.36 0.10 0.00 -0.27 0.00 0.00 62.75 62.03 3g0f n ILE 817 Cb 0.54 0.86 0.49 0.00 -1.74 0.00 0.00 39.64 39.80 3g0f n ILE 817 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 3g0f n LYS 818 N -1.12 0.13 0.00 6.28 5.02 -1.26 -1.60 118.16 125.61 3g0f n LYS 818 Ca 0.00 0.57 0.00 0.00 -2.02 0.00 0.00 58.31 56.86 3g0f n LYS 818 Cb 0.00 -1.87 0.00 0.00 -0.02 0.00 0.00 35.03 33.14 3g0f n LYS 818 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 3g0f n ASN 819 N -2.14 1.29 -4.54 4.39 6.94 -1.26 -4.97 115.26 114.96 3g0f n ASN 819 Ca -0.00 -1.41 -0.41 0.00 -0.02 0.00 0.00 54.58 52.73 3g0f n ASN 819 Cb 0.07 0.00 -0.09 0.00 -2.36 0.00 0.00 39.78 37.41 3g0f n ASN 819 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 3g0f s ASP 820 N -0.41 6.23 0.61 0.53 -1.08 -0.63 -4.95 116.67 116.98 3g0f s ASP 820 Ca 0.00 -0.23 0.30 0.00 -0.52 0.00 0.00 52.55 52.10 3g0f s ASP 820 Cb 0.00 -2.23 1.68 0.00 -1.46 0.00 0.00 42.92 40.91 3g0f s ASP 820 CO 0.00 -0.43 2.04 0.77 0.52 0.00 0.00 175.17 178.07 3g0f h SER 821 N 8.51 0.00 0.71 -0.34 4.64 -1.93 -0.18 113.55 124.95 3g0f h SER 821 Ca -0.29 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.02 3g0f h SER 821 Cb 1.13 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.22 3g0f h SER 821 CO 0.74 0.00 -0.06 0.78 -0.87 0.00 0.00 176.83 177.42 3g0f h ASN 822 N 0.00 0.00 -3.42 4.97 -0.26 -1.92 -3.40 115.58 111.56 3g0f h ASN 822 Ca 0.09 0.00 -0.63 0.00 -0.56 0.00 0.00 56.30 55.19 3g0f h ASN 822 Cb 0.64 0.00 -0.20 0.00 -1.06 0.00 0.00 38.32 37.70 3g0f h ASN 822 CO -0.00 0.06 -0.62 -0.31 -1.06 0.00 0.00 177.43 175.50 3g0f s TYR 823 N -3.85 3.11 -0.01 1.19 1.51 -0.08 -3.99 117.35 115.24 3g0f s TYR 823 Ca -0.01 -0.24 0.02 0.00 -1.01 0.00 0.00 57.07 55.83 3g0f s TYR 823 Cb 0.11 -2.09 -0.00 0.00 -0.11 0.00 0.00 41.96 39.86 3g0f s TYR 823 CO 0.54 -0.10 -0.06 0.54 -1.11 0.00 0.00 175.55 175.37 3g0f s VAL 824 N 0.82 0.44 0.13 0.71 0.11 0.69 -4.79 120.40 118.51 3g0f s VAL 824 Ca 0.02 -0.23 -0.31 0.00 -2.93 0.00 0.00 61.98 58.52 3g0f s VAL 824 Cb -0.14 -0.38 -0.10 0.00 -1.53 0.00 0.00 36.38 34.24 3g0f s VAL 824 CO 0.02 0.13 1.68 -0.69 -3.33 0.00 0.00 175.10 172.91 3g0f s VAL 825 N -0.10 2.63 -0.05 2.04 1.01 -1.26 -1.06 120.40 123.61 3g0f s VAL 825 Ca 0.02 0.29 -0.02 0.00 0.00 0.00 0.00 61.98 62.27 3g0f s VAL 825 Cb -0.03 -3.19 0.04 0.00 0.00 0.00 0.00 36.38 33.20 3g0f s VAL 825 CO -0.00 0.01 0.11 -0.75 0.00 0.00 0.00 175.10 174.47 3g0f s LYS 826 N 1.99 0.04 5.08 2.72 2.20 -0.50 -4.93 119.74 126.33 3g0f s LYS 826 Ca 0.75 0.34 0.00 0.00 -0.36 0.00 0.00 55.97 56.70 3g0f s LYS 826 Cb -0.44 -0.23 0.00 0.00 -1.51 0.00 0.00 37.83 35.65 3g0f s LYS 826 CO 0.33 -0.19 0.00 0.41 -0.36 0.00 0.00 175.35 175.54 3g0f n GLY 827 N 4.39 3.23 0.13 5.54 0.00 -1.26 -2.37 105.19 114.86 3g0f n GLY 827 Ca -0.23 0.27 -0.20 0.00 0.00 0.00 0.00 46.02 45.85 3g0f n GLY 827 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 3g0f h ASN 828 N 0.00 0.50 -1.22 1.61 -0.73 -2.00 -3.48 115.58 110.26 3g0f h ASN 828 Ca 0.00 -0.76 -0.50 0.00 1.87 0.00 0.00 56.30 56.91 3g0f h ASN 828 Cb 0.00 -0.16 -0.02 0.00 0.27 0.00 0.00 38.32 38.41 3g0f h ASN 828 CO 0.00 1.64 -0.30 0.00 -0.37 0.00 0.00 177.43 178.40 3g0f s ALA 829 N -2.59 4.29 -0.25 1.57 0.00 -1.00 -5.10 121.76 118.68 3g0f s ALA 829 Ca -0.13 -1.78 -0.12 0.00 0.00 0.00 0.00 51.96 49.93 3g0f s ALA 829 Cb 0.06 -1.11 -0.05 0.00 0.00 0.00 0.00 23.12 22.02 3g0f s ALA 829 CO 0.85 -0.37 0.23 1.03 0.00 0.00 0.00 175.76 177.50 3g0f s ARG 830 N -4.27 4.03 0.13 0.00 0.52 -1.26 -1.41 118.95 116.69 3g0f s ARG 830 Ca 0.48 -0.18 0.08 0.00 -0.52 0.00 0.00 55.73 55.60 3g0f s ARG 830 Cb -0.04 -3.60 -0.04 0.00 0.52 0.00 0.00 34.95 31.79 3g0f s ARG 830 CO 0.29 -0.09 -0.19 -0.51 0.02 0.00 0.00 175.30 174.82 3g0f s LEU 831 N 1.50 2.36 -1.23 2.53 1.43 -0.22 -4.74 118.68 120.31 3g0f s LEU 831 Ca 0.10 -0.77 -0.19 0.00 -1.03 0.00 0.00 54.13 52.24 3g0f s LEU 831 Cb -0.15 -0.81 0.07 0.00 0.03 0.00 0.00 46.19 45.33 3g0f s LEU 831 CO 0.08 -0.01 1.66 -2.16 0.23 0.00 0.00 176.35 176.15 3g0f s PRO 832 N -2.33 3.89 0.13 1.29 0.04 -1.26 -0.22 135.00 136.54 3g0f s PRO 832 Ca 0.10 -1.80 -0.01 0.00 0.04 0.00 0.00 61.00 59.34 3g0f s PRO 832 Cb -0.08 -5.48 -0.11 0.00 0.04 0.00 0.00 34.50 28.87 3g0f s PRO 832 CO 0.05 -2.23 1.29 -0.39 0.04 0.00 0.00 177.00 175.76 3g0f h VAL 833 N 5.85 1.49 0.00 -0.36 -1.51 -1.90 -2.91 116.25 116.90 3g0f h VAL 833 Ca 0.38 -2.74 0.00 0.00 -1.23 0.00 0.00 66.70 63.11 3g0f h VAL 833 Cb 0.91 2.60 0.00 0.00 -2.13 0.00 0.00 31.29 32.67 3g0f h VAL 833 CO 1.44 0.80 0.00 0.11 -1.23 0.00 0.00 177.57 178.70 3g0f h LYS 834 N 0.12 0.00 -0.00 5.19 1.57 -1.89 -1.99 116.57 119.57 3g0f h LYS 834 Ca -0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 3g0f h LYS 834 Cb 1.66 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.97 3g0f h LYS 834 CO 0.16 0.00 -0.84 0.91 -0.57 0.00 0.00 179.45 179.11 3g0f n TRP 835 N -2.78 0.00 -3.41 -1.35 8.01 -1.11 -4.96 117.44 111.85 3g0f n TRP 835 Ca -0.01 0.00 -0.38 0.00 -1.31 0.00 0.00 57.50 55.80 3g0f n TRP 835 Cb 0.15 0.00 -0.06 0.00 -2.01 0.00 0.00 31.31 29.39 3g0f n TRP 835 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.69 175.04 3g0f s MET 836 N -2.79 4.02 0.60 -0.99 -1.94 -0.75 -3.86 119.30 113.59 3g0f s MET 836 Ca 0.10 0.53 -0.18 0.00 -1.71 0.00 0.00 55.69 54.43 3g0f s MET 836 Cb 0.16 -3.19 -0.03 0.00 2.01 0.00 0.00 34.83 33.78 3g0f s MET 836 CO 0.76 0.65 1.18 0.00 -0.01 0.00 0.00 175.02 177.60 3g0f s ALA 837 N -1.15 2.54 0.25 3.03 0.00 -1.26 -4.87 121.76 120.31 3g0f s ALA 837 Ca 0.28 0.92 -0.04 0.00 0.00 0.00 0.00 51.96 53.12 3g0f s ALA 837 Cb -0.17 -3.42 0.37 0.00 0.00 0.00 0.00 23.12 19.90 3g0f s ALA 837 CO 0.16 -1.13 1.86 -1.00 0.00 0.00 0.00 175.76 175.65 3g0f h PRO 838 N 0.81 1.01 0.00 0.00 0.13 -1.96 -0.47 132.00 131.53 3g0f h PRO 838 Ca -0.50 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.57 3g0f h PRO 838 Cb 1.29 -0.23 0.00 0.00 0.13 0.00 0.00 31.00 32.19 3g0f h PRO 838 CO 0.55 0.67 0.00 1.05 -0.23 0.00 0.00 178.00 180.04 3g0f h GLU 839 N 1.04 0.00 0.09 0.86 9.09 -1.92 -1.96 114.58 121.78 3g0f h GLU 839 Ca 0.40 0.00 -0.28 0.00 0.05 0.00 0.00 59.36 59.54 3g0f h GLU 839 Cb 0.19 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.28 3g0f h GLU 839 CO -0.18 0.00 -1.36 0.77 0.05 0.00 0.00 179.01 178.29 3g0f h SER 840 N 0.00 0.29 -0.22 3.06 0.02 -1.17 -2.58 113.55 112.95 3g0f h SER 840 Ca 0.00 -0.36 -0.09 0.00 -0.84 0.00 0.00 61.79 60.50 3g0f h SER 840 Cb 0.30 -0.09 -0.00 0.00 0.14 0.00 0.00 62.40 62.74 3g0f h SER 840 CO 0.00 1.30 -0.21 0.40 -1.14 0.00 0.00 176.83 177.18 3g0f h ILE 841 N 0.05 1.32 0.00 3.27 2.04 -1.09 -3.11 117.51 119.99 3g0f h ILE 841 Ca -0.17 -1.37 0.00 0.00 1.00 0.00 0.00 64.86 64.32 3g0f h ILE 841 Cb 1.95 1.71 0.00 0.00 -0.74 0.00 0.00 36.82 39.74 3g0f h ILE 841 CO 0.16 0.42 0.00 0.49 0.00 0.00 0.00 178.15 179.22 3g0f n PHE 842 N -4.41 0.00 0.34 1.37 3.72 -0.80 -4.43 117.46 113.25 3g0f n PHE 842 Ca -0.05 0.00 0.02 0.00 -0.05 0.00 0.00 57.45 57.37 3g0f n PHE 842 Cb 0.41 0.00 0.13 0.00 -0.94 0.00 0.00 39.48 39.08 3g0f n PHE 842 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 3g0f n ASN 843 N 0.00 0.00 -3.89 4.37 3.02 -1.07 -4.77 115.26 112.93 3g0f n ASN 843 Ca 0.00 -0.21 -0.29 0.00 -0.03 0.00 0.00 54.58 54.06 3g0f n ASN 843 Cb 0.00 0.00 0.02 0.00 -0.61 0.00 0.00 39.78 39.19 3g0f n ASN 843 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3g0f s VAL 845 N -3.39 4.92 -0.45 0.00 1.01 -1.00 -4.96 120.40 116.52 3g0f s VAL 845 Ca 0.52 -0.16 -0.14 0.00 0.00 0.00 0.00 61.98 62.20 3g0f s VAL 845 Cb -0.26 -4.17 0.06 0.00 0.00 0.00 0.00 36.38 32.01 3g0f s VAL 845 CO 0.83 -0.59 0.36 -0.31 0.00 0.00 0.00 175.10 175.39 3g0f s TYR 846 N 2.57 3.26 0.00 5.22 4.12 -1.26 -3.73 117.35 127.52 3g0f s TYR 846 Ca 0.18 -0.95 0.00 0.00 0.02 0.00 0.00 57.07 56.32 3g0f s TYR 846 Cb -0.16 -3.02 0.00 0.00 -1.52 0.00 0.00 41.96 37.26 3g0f s TYR 846 CO 0.16 -0.76 0.00 0.25 0.02 0.00 0.00 175.55 175.21 3g0f n THR 847 N 5.15 0.00 -0.08 -0.71 -2.24 -1.26 -5.02 114.28 110.13 3g0f n THR 847 Ca -0.12 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.61 3g0f n THR 847 Cb 0.44 0.00 0.15 0.00 -2.10 0.00 0.00 70.33 68.82 3g0f n THR 847 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 3g0f h PHE 848 N 0.92 0.79 0.00 4.78 -1.00 -1.97 -2.79 116.94 117.68 3g0f h PHE 848 Ca 0.00 -0.14 0.00 0.00 2.81 0.00 0.00 57.97 60.64 3g0f h PHE 848 Cb 0.00 -0.21 0.00 0.00 3.61 0.00 0.00 35.95 39.35 3g0f h PHE 848 CO 0.00 0.80 0.00 0.93 -1.61 0.00 0.00 178.31 178.43 3g0f h GLU 849 N 0.66 0.00 -0.77 1.51 3.07 -1.95 -2.87 114.58 114.24 3g0f h GLU 849 Ca 0.12 0.00 -0.05 0.00 -0.50 0.00 0.00 59.36 58.92 3g0f h GLU 849 Cb 0.56 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.44 3g0f h GLU 849 CO 0.03 0.00 0.28 0.77 -1.40 0.00 0.00 179.01 178.69 3g0f h SER 850 N 0.00 1.09 -0.69 1.42 0.02 -1.84 -3.05 113.55 110.50 3g0f h SER 850 Ca 0.00 -0.19 -0.05 0.00 -0.84 0.00 0.00 61.79 60.71 3g0f h SER 850 Cb 0.84 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 63.07 3g0f h SER 850 CO 0.00 0.99 0.22 0.44 -1.14 0.00 0.00 176.83 177.34 3g0f h ASP 851 N 1.13 1.00 -0.77 3.07 3.32 -1.51 -2.64 116.42 120.02 3g0f h ASP 851 Ca 0.25 -0.21 0.01 0.00 0.02 0.00 0.00 57.03 57.11 3g0f h ASP 851 Cb 0.26 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 39.51 3g0f h ASP 851 CO -0.01 0.94 0.51 0.58 -1.72 0.00 0.00 179.24 179.54 3g0f h VAL 852 N 1.01 1.19 -0.36 -1.35 2.07 -1.55 0.18 116.25 117.44 3g0f h VAL 852 Ca 0.22 -0.35 0.05 0.00 0.82 0.00 0.00 66.70 67.43 3g0f h VAL 852 Cb 0.29 0.07 -0.04 0.00 -1.52 0.00 0.00 31.29 30.09 3g0f h VAL 852 CO -0.01 0.19 0.11 -0.25 0.02 0.00 0.00 177.57 177.63 3g0f h TRP 853 N 1.03 0.20 0.00 1.57 2.91 -1.37 -1.32 115.95 118.97 3g0f h TRP 853 Ca 0.28 0.02 -0.06 0.00 1.13 0.00 0.00 58.89 60.27 3g0f h TRP 853 Cb -0.10 -0.04 -0.01 0.00 -0.51 0.00 0.00 29.16 28.50 3g0f h TRP 853 CO -0.00 0.07 -0.27 0.77 -1.03 0.00 0.00 178.44 177.98 3g0f h SER 854 N 0.26 0.00 -0.39 2.65 0.02 -0.84 -0.84 113.55 114.41 3g0f h SER 854 Ca 0.17 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 61.01 3g0f h SER 854 Cb 0.16 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.68 3g0f h SER 854 CO -0.18 0.27 -0.14 0.22 -1.14 0.00 0.00 176.83 175.86 3g0f h TYR 855 N 0.00 0.95 -0.46 3.45 3.20 0.33 -0.20 116.97 124.24 3g0f h TYR 855 Ca -0.00 -0.19 -0.01 0.00 3.14 0.00 0.00 58.73 61.66 3g0f h TYR 855 Cb 0.61 -0.24 -0.02 0.00 1.54 0.00 0.00 36.73 38.62 3g0f h TYR 855 CO 0.00 0.93 0.24 0.78 -1.64 0.00 0.00 178.16 178.48 3g0f h GLY 856 N 0.96 0.69 1.67 1.82 0.00 -0.17 0.16 103.07 108.20 3g0f h GLY 856 Ca 0.12 -0.32 -0.05 0.00 0.00 0.00 0.00 47.33 47.08 3g0f h GLY 856 CO 0.05 0.31 -0.06 -2.22 0.00 0.00 0.00 176.54 174.61 3g0f h ILE 857 N 0.60 1.19 -0.27 2.60 1.08 -1.17 -1.60 117.51 119.94 3g0f h ILE 857 Ca 0.16 -0.80 -0.04 0.00 -0.39 0.00 0.00 64.86 63.79 3g0f h ILE 857 Cb 0.07 1.06 -0.01 0.00 -3.07 0.00 0.00 36.82 34.87 3g0f h ILE 857 CO -0.02 0.26 0.02 0.15 -0.69 0.00 0.00 178.15 177.87 3g0f h PHE 858 N 0.40 0.50 -0.48 1.37 3.04 -0.28 -0.65 116.94 120.83 3g0f h PHE 858 Ca 0.08 -0.08 0.05 0.00 3.98 0.00 0.00 57.97 62.01 3g0f h PHE 858 Cb 0.36 -0.13 -0.03 0.00 2.56 0.00 0.00 35.95 38.71 3g0f h PHE 858 CO 0.01 0.59 0.32 -0.07 -2.02 0.00 0.00 178.31 177.14 3g0f h LEU 859 N 0.26 0.38 -0.07 0.59 3.38 -0.23 0.12 115.31 119.73 3g0f h LEU 859 Ca 0.08 -0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.00 3g0f h LEU 859 Cb 0.38 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.05 3g0f h LEU 859 CO 0.01 0.25 -0.15 -0.25 0.09 0.00 0.00 178.44 178.39 3g0f h TRP 860 N 0.43 0.30 -0.85 1.13 7.01 -0.79 -1.53 115.95 121.65 3g0f h TRP 860 Ca 0.20 -0.11 0.14 0.00 2.11 0.00 0.00 58.89 61.24 3g0f h TRP 860 Cb 0.26 -0.06 -0.09 0.00 -2.10 0.00 0.00 29.16 27.17 3g0f h TRP 860 CO -0.00 0.75 0.44 0.93 -2.79 0.00 0.00 178.44 177.77 3g0f h GLU 861 N -0.24 0.61 0.16 2.65 5.08 -0.43 -2.23 114.58 120.18 3g0f h GLU 861 Ca 0.00 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 3g0f h GLU 861 Cb 0.74 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.85 3g0f h GLU 861 CO 0.03 0.41 -0.08 1.25 -1.00 0.00 0.00 179.01 179.62 3g0f h LEU 862 N 0.63 -0.19 -0.19 1.33 5.85 -0.49 0.37 115.31 122.62 3g0f h LEU 862 Ca 0.46 -0.23 0.00 0.00 0.84 0.00 0.00 57.88 58.95 3g0f h LEU 862 Cb 0.65 0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.72 3g0f h LEU 862 CO -0.36 0.14 -0.01 0.49 -0.34 0.00 0.00 178.44 178.35 3g0f n PHE 863 N -5.05 0.00 1.04 1.25 3.72 -0.60 -2.02 117.46 115.80 3g0f n PHE 863 Ca -0.09 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.43 3g0f n PHE 863 Cb 0.22 -0.06 0.18 0.00 -0.94 0.00 0.00 39.48 38.88 3g0f n PHE 863 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 3g0f n SER 864 N -0.84 0.75 -3.31 4.37 7.64 -0.85 -3.84 113.62 117.54 3g0f n SER 864 Ca 0.21 -0.56 -0.19 0.00 1.01 0.00 0.00 58.87 59.34 3g0f n SER 864 Cb 0.19 0.40 0.08 0.00 -1.01 0.00 0.00 64.21 63.87 3g0f n SER 864 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3g0f n LEU 865 N -1.31 -3.62 0.00 -3.43 4.77 -0.86 -3.79 117.00 108.77 3g0f n LEU 865 Ca 0.06 -0.54 0.00 0.00 -0.03 0.00 0.00 56.01 55.50 3g0f n LEU 865 Cb 0.34 -2.90 0.00 0.00 -2.33 0.00 0.00 43.42 38.53 3g0f n LEU 865 CO 0.35 0.47 0.00 0.61 -1.33 0.00 0.00 177.39 177.50 3g0f n GLY 866 N -1.49 0.39 3.68 -0.72 0.00 0.12 -3.98 105.19 103.20 3g0f n GLY 866 Ca -0.14 -1.04 -0.30 0.00 0.00 0.00 0.00 46.02 44.54 3g0f n GLY 866 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3g0f s SER 867 N -2.98 3.20 0.21 1.61 0.01 -1.25 -4.89 113.70 109.60 3g0f s SER 867 Ca 0.00 1.84 -0.23 0.00 1.31 0.00 0.00 55.95 58.88 3g0f s SER 867 Cb 0.00 -2.43 -0.08 0.00 0.21 0.00 0.00 66.02 63.72 3g0f s SER 867 CO 0.00 -2.87 0.77 -0.55 0.41 0.00 0.00 173.24 171.00 3g0f s SER 868 N -3.01 7.22 0.56 2.44 0.15 -1.26 -4.73 113.70 115.07 3g0f s SER 868 Ca 0.65 1.55 -0.19 0.00 0.70 0.00 0.00 55.95 58.66 3g0f s SER 868 Cb -0.20 -2.47 -0.05 0.00 -1.71 0.00 0.00 66.02 61.59 3g0f s SER 868 CO 0.58 0.10 1.17 -2.84 1.20 0.00 0.00 173.24 173.45 3g0f s PRO 869 N -1.64 3.19 -1.11 5.44 0.02 -1.26 -3.59 135.00 136.05 3g0f s PRO 869 Ca 0.41 1.73 -0.26 0.00 0.02 0.00 0.00 61.00 62.90 3g0f s PRO 869 Cb -0.19 -1.99 0.04 0.00 0.02 0.00 0.00 34.50 32.37 3g0f s PRO 869 CO 0.23 -1.01 0.66 0.66 -0.33 0.00 0.00 177.00 177.21 3g0f n TYR 870 N -1.39 -1.54 -1.95 6.54 4.01 -1.26 -4.75 117.16 116.82 3g0f n TYR 870 Ca 0.12 0.25 -0.42 0.00 -0.16 0.00 0.00 57.90 57.70 3g0f n TYR 870 Cb 0.50 -2.74 -0.03 0.00 -0.31 0.00 0.00 39.34 36.76 3g0f n TYR 870 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 3g0f s PRO 871 N -6.84 4.23 0.00 -0.72 0.04 -1.24 -2.53 135.00 127.94 3g0f s PRO 871 Ca 0.36 2.36 0.00 0.00 0.04 0.00 0.00 61.00 63.76 3g0f s PRO 871 Cb -0.20 -3.13 0.00 0.00 0.04 0.00 0.00 34.50 31.21 3g0f s PRO 871 CO 0.96 -0.54 0.00 0.41 0.04 0.00 0.00 177.00 177.87 3g0f n GLY 872 N 3.02 2.68 3.68 0.56 0.00 -1.26 -5.02 105.19 108.86 3g0f n GLY 872 Ca 0.11 -0.49 -0.42 0.00 0.00 0.00 0.00 46.02 45.22 3g0f n GLY 872 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3g0f s MET 873 N 0.00 4.33 0.69 1.61 -1.94 -1.05 -5.04 119.30 117.90 3g0f s MET 873 Ca 0.00 1.69 -0.11 0.00 -1.71 0.00 0.00 55.69 55.56 3g0f s MET 873 Cb 0.00 -3.58 0.00 0.00 2.01 0.00 0.00 34.83 33.26 3g0f s MET 873 CO 0.00 -0.49 1.06 -1.25 -0.01 0.00 0.00 175.02 174.34 3g0f s PRO 874 N 2.38 3.00 -0.40 2.03 0.04 -1.26 -4.99 135.00 135.80 3g0f s PRO 874 Ca 0.56 0.74 -0.18 0.00 0.04 0.00 0.00 61.00 62.16 3g0f s PRO 874 Cb -0.25 -2.01 0.01 0.00 0.04 0.00 0.00 34.50 32.29 3g0f s PRO 874 CO 0.21 -1.00 0.48 0.08 0.04 0.00 0.00 177.00 176.82 3g0f s VAL 875 N -3.17 5.03 0.00 -0.36 1.01 -1.26 -4.63 120.40 117.02 3g0f s VAL 875 Ca 0.58 -0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.48 3g0f s VAL 875 Cb -0.13 -4.03 0.00 0.00 0.00 0.00 0.00 36.38 32.22 3g0f s VAL 875 CO 0.54 -0.38 0.00 -0.90 0.00 0.00 0.00 175.10 174.36 3g0f n ASP 876 N 5.73 0.00 -0.28 3.32 5.75 -1.26 -4.97 116.55 124.85 3g0f n ASP 876 Ca -0.06 -0.65 0.04 0.00 -0.01 0.00 0.00 54.79 54.12 3g0f n ASP 876 Cb 0.48 0.00 0.18 0.00 -1.03 0.00 0.00 41.12 40.75 3g0f n ASP 876 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 3g0f h SER 877 N 0.00 0.51 -0.44 -1.12 0.02 -2.00 0.10 113.55 110.62 3g0f h SER 877 Ca 0.00 0.08 0.09 0.00 -0.84 0.00 0.00 61.79 61.11 3g0f h SER 877 Cb 0.00 -0.01 -0.10 0.00 0.14 0.00 0.00 62.40 62.44 3g0f h SER 877 CO 0.00 0.25 -0.27 0.50 -1.14 0.00 0.00 176.83 176.17 3g0f h LYS 878 N 0.63 -0.18 0.80 3.45 3.64 -1.96 -1.45 116.57 121.51 3g0f h LYS 878 Ca 0.41 0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.77 3g0f h LYS 878 Cb 0.51 0.04 0.01 0.00 -0.41 0.00 0.00 32.23 32.38 3g0f h LYS 878 CO -0.32 -0.12 -0.39 0.35 -2.27 0.00 0.00 179.45 176.71 3g0f h PHE 879 N -0.19 -1.00 -0.51 1.91 3.57 -1.09 -1.81 116.94 117.83 3g0f h PHE 879 Ca 0.20 -0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.74 3g0f h PHE 879 Cb 0.50 0.33 -0.06 0.00 2.79 0.00 0.00 35.95 39.52 3g0f h PHE 879 CO -0.51 -0.61 0.18 1.88 -2.23 0.00 0.00 178.31 177.02 3g0f h TYR 880 N -1.12 0.32 -0.95 0.41 -1.99 -1.28 -1.60 116.97 110.76 3g0f h TYR 880 Ca -0.11 0.03 0.02 0.00 2.00 0.00 0.00 58.73 60.67 3g0f h TYR 880 Cb 0.84 -0.07 -0.05 0.00 2.00 0.00 0.00 36.73 39.45 3g0f h TYR 880 CO -0.01 0.10 0.62 -0.22 -0.00 0.00 0.00 178.16 178.66 3g0f h LYS 881 N 0.36 1.21 -0.60 4.88 3.64 -1.15 -1.65 116.57 123.27 3g0f h LYS 881 Ca 0.25 -0.07 -0.08 0.00 -1.27 0.00 0.00 60.65 59.47 3g0f h LYS 881 Cb 0.26 -0.27 -0.02 0.00 -0.41 0.00 0.00 32.23 31.79 3g0f h LYS 881 CO -0.25 0.80 0.04 0.52 -2.27 0.00 0.00 179.45 178.29 3g0f h MET 882 N 1.24 1.01 -0.49 1.90 2.86 -0.43 -2.05 114.93 118.98 3g0f h MET 882 Ca 0.36 -0.29 -0.08 0.00 -2.06 0.00 0.00 59.70 57.64 3g0f h MET 882 Cb -0.07 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 31.46 3g0f h MET 882 CO -0.10 0.96 -0.03 0.82 1.06 0.00 0.00 176.91 179.62 3g0f h ILE 883 N 0.94 1.25 -0.57 -1.22 1.08 -0.60 0.37 117.51 118.75 3g0f h ILE 883 Ca 0.18 -1.08 -0.06 0.00 -0.39 0.00 0.00 64.86 63.51 3g0f h ILE 883 Cb 0.48 0.91 -0.03 0.00 -3.07 0.00 0.00 36.82 35.12 3g0f h ILE 883 CO 0.02 0.38 0.10 0.50 -0.69 0.00 0.00 178.15 178.46 3g0f h LYS 884 N 0.77 0.91 -0.74 2.37 3.64 -1.13 -2.61 116.57 119.78 3g0f h LYS 884 Ca 0.14 -0.22 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 3g0f h LYS 884 Cb 0.51 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.21 3g0f h LYS 884 CO 0.03 0.84 0.00 0.39 -2.27 0.00 0.00 179.45 178.44 3g0f n GLU 885 N -4.24 2.42 -0.19 1.90 -0.58 -0.79 -4.85 120.64 114.31 3g0f n GLU 885 Ca 0.04 -1.23 0.00 0.00 -0.42 0.00 0.00 57.16 55.54 3g0f n GLU 885 Cb 0.26 -1.71 0.00 0.00 -0.57 0.00 0.00 31.44 29.42 3g0f n GLU 885 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3g0f n GLY 886 N 0.38 0.77 3.76 0.62 0.00 -0.96 -5.03 105.19 104.74 3g0f n GLY 886 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 3g0f n GLY 886 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3g0f s PHE 887 N -2.16 2.71 0.12 1.61 5.36 0.07 -5.00 117.98 120.69 3g0f s PHE 887 Ca 0.00 1.02 -0.06 0.00 -0.96 0.00 0.00 56.93 56.93 3g0f s PHE 887 Cb 0.00 -4.01 -0.02 0.00 -0.34 0.00 0.00 43.02 38.65 3g0f s PHE 887 CO 0.00 -3.14 0.15 1.03 -1.46 0.00 0.00 175.22 171.80 3g0f s ARG 888 N -1.33 0.93 0.43 10.12 1.81 -1.26 -4.64 118.95 125.02 3g0f s ARG 888 Ca 0.57 -1.19 -0.21 0.00 -1.72 0.00 0.00 55.73 53.17 3g0f s ARG 888 Cb -0.46 0.31 -0.10 0.00 -0.45 0.00 0.00 34.95 34.24 3g0f s ARG 888 CO 0.55 -0.29 0.97 -1.64 -0.68 0.00 0.00 175.30 174.21 3g0f s MET 889 N -3.95 4.16 0.56 3.54 -1.94 -1.26 -5.08 119.30 115.32 3g0f s MET 889 Ca 0.14 1.19 0.01 0.00 -1.71 0.00 0.00 55.69 55.33 3g0f s MET 889 Cb 0.05 -2.21 0.04 0.00 2.01 0.00 0.00 34.83 34.72 3g0f s MET 889 CO -0.04 -0.10 0.78 -0.51 -0.01 0.00 0.00 175.02 175.15 3g0f s LEU 890 N -3.16 3.26 0.23 -0.03 1.43 -1.26 -5.02 118.68 114.14 3g0f s LEU 890 Ca 0.62 -0.05 -0.31 0.00 -1.03 0.00 0.00 54.13 53.36 3g0f s LEU 890 Cb -0.11 -2.81 -0.14 0.00 0.03 0.00 0.00 46.19 43.16 3g0f s LEU 890 CO 0.15 -1.17 1.38 -0.24 0.23 0.00 0.00 176.35 176.71 3g0f n SER 891 N -2.35 2.60 -4.75 2.29 2.88 -1.26 -4.94 113.62 108.09 3g0f n SER 891 Ca 0.08 1.14 -0.39 0.00 -1.33 0.00 0.00 58.87 58.37 3g0f n SER 891 Cb 0.60 -1.40 0.03 0.00 -0.75 0.00 0.00 64.21 62.68 3g0f n SER 891 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 3g0f n PRO 892 N 2.02 1.95 -0.23 -1.46 -0.02 -1.26 -4.87 135.00 131.13 3g0f n PRO 892 Ca 0.12 0.71 0.21 0.00 -2.02 0.00 0.00 63.50 62.51 3g0f n PRO 892 Cb 0.31 -2.60 0.54 0.00 -0.02 0.00 0.00 33.50 31.73 3g0f n PRO 892 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3g0f h GLU 893 N 1.83 0.34 -0.51 -0.52 4.81 -1.92 -2.03 114.58 116.58 3g0f h GLU 893 Ca -0.51 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.70 3g0f h GLU 893 Cb 1.29 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.59 3g0f h GLU 893 CO 0.59 0.22 0.00 0.72 -0.73 0.00 0.00 179.01 179.81 3g0f n HIS 894 N -4.48 1.01 -2.96 0.92 8.25 -1.25 -4.97 115.22 111.74 3g0f n HIS 894 Ca 0.19 -0.60 -0.40 0.00 -0.26 0.00 0.00 57.72 56.65 3g0f n HIS 894 Cb 0.74 -0.15 -0.04 0.00 1.12 0.00 0.00 29.99 31.65 3g0f n HIS 894 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3g0f s ALA 895 N -1.62 3.30 0.43 -1.41 0.00 -0.77 -5.00 121.76 116.69 3g0f s ALA 895 Ca 0.41 0.23 -0.26 0.00 0.00 0.00 0.00 51.96 52.34 3g0f s ALA 895 Cb 0.26 -3.05 -0.09 0.00 0.00 0.00 0.00 23.12 20.23 3g0f s ALA 895 CO 0.21 -0.14 1.42 -1.25 0.00 0.00 0.00 175.76 176.00 3g0f s PRO 896 N 0.87 3.83 0.40 0.00 0.04 -1.26 -4.86 135.00 134.02 3g0f s PRO 896 Ca 0.41 2.41 0.14 0.00 0.04 0.00 0.00 61.00 64.01 3g0f s PRO 896 Cb -0.18 -2.75 0.99 0.00 0.04 0.00 0.00 34.50 32.60 3g0f s PRO 896 CO 0.20 -0.70 1.88 0.00 0.04 0.00 0.00 177.00 178.42 3g0f h ALA 897 N 2.54 2.05 -0.17 8.56 0.00 -1.99 -1.04 119.26 129.22 3g0f h ALA 897 Ca -0.51 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.40 3g0f h ALA 897 Cb 1.26 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 3g0f h ALA 897 CO 0.62 -0.30 0.03 0.93 0.00 0.00 0.00 179.25 180.54 3g0f h GLU 898 N 0.50 0.28 -0.36 0.00 3.07 -1.99 -1.02 114.58 115.05 3g0f h GLU 898 Ca 0.43 -0.07 0.00 0.00 -0.50 0.00 0.00 59.36 59.22 3g0f h GLU 898 Cb 0.91 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.77 3g0f h GLU 898 CO -0.17 0.43 0.23 0.52 -1.40 0.00 0.00 179.01 178.62 3g0f h MET 899 N 0.07 0.48 -0.41 2.33 2.86 -1.58 0.16 114.93 118.83 3g0f h MET 899 Ca 0.05 -0.03 -0.10 0.00 -2.06 0.00 0.00 59.70 57.56 3g0f h MET 899 Cb 0.29 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 31.83 3g0f h MET 899 CO 0.00 0.33 -0.16 -0.92 1.06 0.00 0.00 176.91 177.22 3g0f h TYR 900 N 0.49 0.87 -0.56 -0.22 3.20 -1.01 -1.72 116.97 118.02 3g0f h TYR 900 Ca 0.13 -0.18 -0.06 0.00 3.14 0.00 0.00 58.73 61.76 3g0f h TYR 900 Cb -0.04 -0.22 -0.02 0.00 1.54 0.00 0.00 36.73 37.99 3g0f h TYR 900 CO 0.00 0.89 0.11 -0.44 -1.64 0.00 0.00 178.16 177.08 3g0f h ASP 901 N 0.69 0.82 -0.59 -2.11 3.45 0.33 -0.13 116.42 118.88 3g0f h ASP 901 Ca 0.11 -0.16 -0.07 0.00 0.43 0.00 0.00 57.03 57.34 3g0f h ASP 901 Cb 0.66 -0.22 -0.02 0.00 -0.56 0.00 0.00 39.33 39.19 3g0f h ASP 901 CO 0.05 0.82 0.10 0.40 -1.57 0.00 0.00 179.24 179.04 3g0f h ILE 902 N 0.83 1.26 -0.33 0.35 2.04 -1.07 -1.34 117.51 119.25 3g0f h ILE 902 Ca 0.18 -0.98 0.06 0.00 1.00 0.00 0.00 64.86 65.12 3g0f h ILE 902 Cb 0.34 0.74 -0.05 0.00 -0.74 0.00 0.00 36.82 37.11 3g0f h ILE 902 CO 0.00 0.36 0.01 0.24 0.00 0.00 0.00 178.15 178.77 3g0f h MET 903 N 0.88 0.11 -0.45 2.37 2.86 -0.52 -0.36 114.93 119.82 3g0f h MET 903 Ca 0.18 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.81 3g0f h MET 903 Cb 0.41 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.02 3g0f h MET 903 CO 0.01 0.07 0.27 0.87 1.06 0.00 0.00 176.91 179.19 3g0f h LYS 904 N 0.11 0.62 0.00 1.72 1.57 -0.79 -0.77 116.57 119.04 3g0f h LYS 904 Ca 0.16 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.86 3g0f h LYS 904 Cb 0.21 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.39 3g0f h LYS 904 CO -0.25 0.47 -0.08 1.79 -0.57 0.00 0.00 179.45 180.80 3g0f h THR 905 N 0.60 0.29 0.00 -0.16 1.35 -0.90 -0.90 112.91 113.20 3g0f h THR 905 Ca 0.16 -0.53 0.00 0.00 -0.55 0.00 0.00 66.41 65.49 3g0f h THR 905 Cb 0.01 1.41 0.00 0.00 -1.73 0.00 0.00 68.15 67.84 3g0f h THR 905 CO -0.03 0.08 0.00 0.00 -0.25 0.00 0.00 175.52 175.32 3g0f n TRP 907 N -3.00 1.46 -1.87 0.00 8.01 -0.35 -3.80 117.44 117.89 3g0f n TRP 907 Ca 0.02 -0.80 -0.42 0.00 -1.31 0.00 0.00 57.50 54.99 3g0f n TRP 907 Cb 0.40 -0.40 -0.03 0.00 -2.01 0.00 0.00 31.31 29.27 3g0f n TRP 907 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.69 177.02 3g0f s ASP 908 N -1.40 6.54 0.57 -0.99 3.68 -1.20 -4.85 116.67 119.03 3g0f s ASP 908 Ca 0.48 2.62 0.27 0.00 2.13 0.00 0.00 52.55 58.05 3g0f s ASP 908 Cb 0.37 -2.58 1.64 0.00 -1.45 0.00 0.00 42.92 40.90 3g0f s ASP 908 CO 0.12 -0.89 2.16 0.00 0.13 0.00 0.00 175.17 176.69 3g0f h ALA 909 N 7.59 1.78 -2.23 3.66 0.00 -1.93 -3.37 119.26 124.75 3g0f h ALA 909 Ca -0.43 -0.00 -0.64 0.00 0.00 0.00 0.00 54.91 53.83 3g0f h ALA 909 Cb 1.20 0.01 -0.14 0.00 0.00 0.00 0.00 17.79 18.86 3g0f h ALA 909 CO 0.93 -0.16 0.15 0.34 0.00 0.00 0.00 179.25 180.51 3g0f s ASP 910 N -6.16 6.37 0.52 0.00 3.68 -1.26 -4.95 116.67 114.87 3g0f s ASP 910 Ca -0.05 -0.13 0.26 0.00 2.13 0.00 0.00 52.55 54.77 3g0f s ASP 910 Cb 0.16 -2.33 1.39 0.00 -1.45 0.00 0.00 42.92 40.70 3g0f s ASP 910 CO 0.58 -0.71 1.95 -0.65 0.13 0.00 0.00 175.17 176.47 3g0f h PRO 911 N 8.72 0.04 -0.00 4.34 0.11 -1.97 -0.57 132.00 142.67 3g0f h PRO 911 Ca -0.26 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 3g0f h PRO 911 Cb 1.10 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3g0f h PRO 911 CO 0.87 0.02 -0.21 1.28 -0.21 0.00 0.00 178.00 179.76 3g0f n LEU 912 N -4.35 0.65 0.06 2.35 4.77 -1.26 -3.22 117.00 116.00 3g0f n LEU 912 Ca 0.13 -0.06 0.11 0.00 -0.03 0.00 0.00 56.01 56.16 3g0f n LEU 912 Cb 0.72 -0.19 0.03 0.00 -2.33 0.00 0.00 43.42 41.64 3g0f n LEU 912 CO 0.37 0.13 0.01 0.29 -1.33 0.00 0.00 177.39 176.86 3g0f n LYS 913 N -0.95 0.45 -2.29 3.23 5.02 -0.22 -4.94 118.16 118.46 3g0f n LYS 913 Ca 0.12 0.05 -0.36 0.00 -2.02 0.00 0.00 58.31 56.10 3g0f n LYS 913 Cb 0.32 -1.70 -0.01 0.00 -0.02 0.00 0.00 35.03 33.62 3g0f n LYS 913 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3g0f s ARG 914 N -3.29 3.54 0.75 1.97 0.52 -1.20 -4.98 118.95 116.27 3g0f s ARG 914 Ca 0.01 1.65 -0.12 0.00 -0.52 0.00 0.00 55.73 56.75 3g0f s ARG 914 Cb 0.12 -2.16 0.05 0.00 0.52 0.00 0.00 34.95 33.48 3g0f s ARG 914 CO 0.79 -0.70 1.12 -1.25 0.02 0.00 0.00 175.30 175.28 3g0f s PRO 915 N -3.06 2.24 0.45 3.54 0.04 -1.26 -5.05 135.00 131.91 3g0f s PRO 915 Ca 0.69 1.37 -0.02 0.00 0.04 0.00 0.00 61.00 63.08 3g0f s PRO 915 Cb -0.25 -1.88 -0.02 0.00 0.04 0.00 0.00 34.50 32.39 3g0f s PRO 915 CO 0.29 -1.68 0.71 0.95 0.04 0.00 0.00 177.00 177.31 3g0f s THR 916 N -2.57 4.50 0.28 1.26 -4.23 -1.26 -4.91 115.64 108.71 3g0f s THR 916 Ca 0.65 -0.20 -0.02 0.00 -1.18 0.00 0.00 61.69 60.94 3g0f s THR 916 Cb -0.21 -3.69 0.20 0.00 1.34 0.00 0.00 72.50 70.14 3g0f s THR 916 CO 0.50 -0.57 1.88 -0.26 -0.54 0.00 0.00 174.62 175.63 3g0f h PHE 917 N 0.35 0.96 -0.94 3.99 0.04 -1.94 -1.21 116.94 118.19 3g0f h PHE 917 Ca -0.47 -0.04 0.06 0.00 2.80 0.00 0.00 57.97 60.32 3g0f h PHE 917 Cb 1.23 -0.30 -0.06 0.00 2.20 0.00 0.00 35.95 39.02 3g0f h PHE 917 CO 0.51 0.71 0.61 -0.22 -0.60 0.00 0.00 178.31 179.32 3g0f h LYS 918 N 0.96 1.05 -0.32 1.51 3.64 -1.90 0.12 116.57 121.63 3g0f h LYS 918 Ca 0.23 -0.06 -0.15 0.00 -1.27 0.00 0.00 60.65 59.40 3g0f h LYS 918 Cb 0.13 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 31.70 3g0f h LYS 918 CO -0.03 0.70 -0.41 1.96 -2.27 0.00 0.00 179.45 179.40 3g0f h GLN 919 N 1.08 0.78 -0.59 1.90 4.20 -1.66 -2.56 115.11 118.27 3g0f h GLN 919 Ca 0.40 -0.42 -0.09 0.00 0.06 0.00 0.00 58.65 58.60 3g0f h GLN 919 Cb 0.18 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.96 3g0f h GLN 919 CO -0.15 1.04 -0.01 0.82 -0.67 0.00 0.00 178.83 179.86 3g0f h ILE 920 N 0.64 1.26 -0.22 2.54 2.04 -0.26 -0.53 117.51 122.98 3g0f h ILE 920 Ca 0.05 -1.14 0.02 0.00 1.00 0.00 0.00 64.86 64.79 3g0f h ILE 920 Cb 0.97 0.82 -0.02 0.00 -0.74 0.00 0.00 36.82 37.84 3g0f h ILE 920 CO 0.09 0.41 0.09 0.58 0.00 0.00 0.00 178.15 179.32 3g0f h VAL 921 N 0.94 0.96 -0.24 1.67 2.07 -0.75 -2.60 116.25 118.30 3g0f h VAL 921 Ca 0.17 -0.07 -0.13 0.00 0.82 0.00 0.00 66.70 67.49 3g0f h VAL 921 Cb 0.55 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 3g0f h VAL 921 CO 0.03 0.04 -0.38 1.56 0.02 0.00 0.00 177.57 178.84 3g0f h GLN 922 N 0.20 0.54 0.12 1.57 4.20 -1.05 -1.19 115.11 119.50 3g0f h GLN 922 Ca 0.10 -0.26 -0.00 0.00 0.06 0.00 0.00 58.65 58.54 3g0f h GLN 922 Cb 0.05 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.82 3g0f h GLN 922 CO -0.09 0.83 -0.17 -0.07 -0.67 0.00 0.00 178.83 178.66 3g0f h LEU 923 N 0.45 -0.50 -1.00 1.46 3.38 -1.06 -2.98 115.31 115.07 3g0f h LEU 923 Ca 0.04 0.04 0.28 0.00 0.09 0.00 0.00 57.88 58.34 3g0f h LEU 923 Cb 0.86 0.17 -0.14 0.00 0.09 0.00 0.00 40.66 41.64 3g0f h LEU 923 CO 0.07 -0.21 0.58 0.40 0.09 0.00 0.00 178.44 179.37 3g0f h ILE 924 N -0.31 0.42 0.00 1.22 2.04 -1.25 0.34 117.51 119.97 3g0f h ILE 924 Ca -0.01 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.69 3g0f h ILE 924 Cb 0.28 -0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.29 3g0f h ILE 924 CO -0.05 0.08 0.00 -0.62 0.00 0.00 0.00 178.15 177.56 3g0f n GLU 925 N -4.97 0.50 0.00 2.37 1.02 -0.47 -2.56 120.64 116.54 3g0f n GLU 925 Ca 0.29 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.43 3g0f n GLU 925 Cb 0.86 -1.14 0.00 0.00 -0.02 0.00 0.00 31.44 31.15 3g0f n GLU 925 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3g0f n LYS 926 N -0.10 0.02 0.00 3.49 5.02 0.11 -4.65 118.16 122.05 3g0f n LYS 926 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3g0f n LYS 926 Cb 0.07 -0.56 0.00 0.00 -0.02 0.00 0.00 35.03 34.52 3g0f n LYS 926 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 3g0f n GLN 927 N -1.59 0.00 -0.05 1.97 7.27 -0.68 -2.77 117.38 121.53 3g0f n GLN 927 Ca 0.00 0.00 -0.16 0.00 0.07 0.00 0.00 57.00 56.91 3g0f n GLN 927 Cb 0.06 -0.99 -0.14 0.00 2.41 0.00 0.00 30.24 31.58 3g0f n GLN 927 CO 0.00 0.00 0.00 1.51 0.07 0.00 0.00 177.06 178.64 3g0f n ILE 928 N -0.36 1.61 1.32 1.69 0.00 -1.06 -4.16 119.36 118.40 3g0f n ILE 928 Ca 0.00 -0.70 0.13 0.00 0.00 0.00 0.00 62.75 62.18 3g0f n ILE 928 Cb 0.00 -1.30 0.40 0.00 0.00 0.00 0.00 39.64 38.75 3g0f n ILE 928 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 3g0f n SER 929 N -3.21 1.35 -0.16 9.51 3.41 -1.12 -5.14 113.62 118.26 3g0f n SER 929 Ca -0.32 -1.21 0.02 0.00 -0.26 0.00 0.00 58.87 57.10 3g0f n SER 929 Cb 1.05 0.10 0.02 0.00 -0.26 0.00 0.00 64.21 65.12 3g0f n SER 929 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26