#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g0f s GLY 565 N 0.00 2.76 -0.16 8.20 0.00 -1.26 -4.39 107.32 112.47 3g0f s GLY 565 Ca 0.00 0.97 -0.06 0.00 0.00 0.00 0.00 44.72 45.62 3g0f s GLY 565 CO 0.00 1.40 0.13 -2.01 0.00 0.00 0.00 173.10 172.62 3g0f n ASN 566 N -0.86 -2.49 0.14 1.64 2.85 -1.26 -4.96 115.26 110.32 3g0f n ASN 566 Ca 0.09 0.99 0.08 0.00 -0.11 0.00 0.00 54.58 55.63 3g0f n ASN 566 Cb 0.48 -4.10 0.05 0.00 1.24 0.00 0.00 39.78 37.46 3g0f n ASN 566 CO 0.00 0.00 0.00 0.78 -2.11 0.00 0.00 177.26 175.93 3g0f h ASN 567 N 2.71 0.00 -3.16 1.20 2.35 -2.10 -3.42 115.58 113.17 3g0f h ASN 567 Ca -0.29 0.00 -0.58 0.00 -0.55 0.00 0.00 56.30 54.89 3g0f h ASN 567 Cb 0.65 0.00 -0.10 0.00 0.05 0.00 0.00 38.32 38.92 3g0f h ASN 567 CO 0.03 0.22 0.80 -0.31 -1.65 0.00 0.00 177.43 176.51 3g0f s TYR 568 N -3.14 2.67 -0.19 1.19 2.02 -1.26 -5.01 117.35 113.64 3g0f s TYR 568 Ca 0.03 0.20 -0.01 0.00 -0.37 0.00 0.00 57.07 56.91 3g0f s TYR 568 Cb 0.07 -4.33 -0.00 0.00 -0.40 0.00 0.00 41.96 37.31 3g0f s TYR 568 CO 0.74 -1.51 -0.11 0.54 -1.57 0.00 0.00 175.55 173.64 3g0f s VAL 569 N 4.54 2.89 0.08 0.71 0.11 -1.26 -5.09 120.40 122.38 3g0f s VAL 569 Ca 0.37 -0.67 -0.31 0.00 -2.93 0.00 0.00 61.98 58.44 3g0f s VAL 569 Cb -0.10 -2.27 -0.08 0.00 -1.53 0.00 0.00 36.38 32.40 3g0f s VAL 569 CO 0.22 0.48 1.54 -0.47 -3.33 0.00 0.00 175.10 173.54 3g0f s TYR 570 N 1.16 2.77 -0.21 1.54 5.04 -1.26 -5.01 117.35 121.38 3g0f s TYR 570 Ca 0.01 0.59 -0.10 0.00 -2.44 0.00 0.00 57.07 55.13 3g0f s TYR 570 Cb -0.14 -3.85 -0.05 0.00 0.35 0.00 0.00 41.96 38.27 3g0f s TYR 570 CO -0.04 -3.24 0.12 0.42 -1.34 0.00 0.00 175.55 171.47 3g0f s ILE 571 N 2.05 5.27 -0.07 3.14 -1.09 -1.26 -5.08 121.20 124.16 3g0f s ILE 571 Ca 0.70 0.14 -0.13 0.00 -2.23 0.00 0.00 60.65 59.13 3g0f s ILE 571 Cb -0.38 -3.41 -0.05 0.00 -1.58 0.00 0.00 42.46 37.03 3g0f s ILE 571 CO 0.30 0.42 0.33 -0.62 -1.23 0.00 0.00 174.94 174.14 3g0f s ASP 572 N 0.53 6.62 0.48 3.58 2.15 -1.26 -4.97 116.67 123.80 3g0f s ASP 572 Ca 0.07 0.74 0.31 0.00 0.43 0.00 0.00 52.55 54.10 3g0f s ASP 572 Cb -0.12 -2.20 1.70 0.00 -0.30 0.00 0.00 42.92 42.00 3g0f s ASP 572 CO -0.00 0.26 1.95 1.55 -0.17 0.00 0.00 175.17 178.76 3g0f h PRO 573 N 5.39 0.00 -0.63 4.34 0.13 -1.98 -0.80 132.00 138.45 3g0f h PRO 573 Ca -0.49 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.61 3g0f h PRO 573 Cb 1.21 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.31 3g0f h PRO 573 CO 0.65 0.00 0.28 1.15 -0.23 0.00 0.00 178.00 179.86 3g0f h THR 574 N 0.00 1.23 -3.30 1.56 2.02 -1.89 -3.36 112.91 109.16 3g0f h THR 574 Ca 0.00 -0.66 -0.75 0.00 0.77 0.00 0.00 66.41 65.76 3g0f h THR 574 Cb 0.06 0.49 -0.23 0.00 -1.74 0.00 0.00 68.15 66.73 3g0f h THR 574 CO 0.00 0.27 0.16 0.00 0.37 0.00 0.00 175.52 176.31 3g0f s GLN 575 N -5.64 3.39 0.00 6.66 -2.07 -0.31 -4.94 119.66 116.75 3g0f s GLN 575 Ca -0.13 -2.01 0.00 0.00 -1.82 0.00 0.00 55.36 51.40 3g0f s GLN 575 Cb 0.13 -4.45 0.00 0.00 -1.09 0.00 0.00 33.01 27.60 3g0f s GLN 575 CO 0.80 -1.42 0.00 -0.11 -1.32 0.00 0.00 175.29 173.24 3g0f n LEU 576 N 5.03 0.00 -4.77 2.60 0.00 -1.26 -4.60 117.00 114.00 3g0f n LEU 576 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 56.01 55.66 3g0f n LEU 576 Cb 0.45 0.00 -0.01 0.00 0.00 0.00 0.00 43.42 43.86 3g0f n LEU 576 CO 0.44 0.00 1.08 -2.16 0.00 0.00 0.00 177.39 176.76 3g0f s PRO 577 N -2.00 4.21 -0.21 1.96 0.04 -1.26 -4.92 135.00 132.81 3g0f s PRO 577 Ca 0.00 2.43 -0.29 0.00 0.04 0.00 0.00 61.00 63.18 3g0f s PRO 577 Cb 0.00 -3.01 -0.02 0.00 0.04 0.00 0.00 34.50 31.51 3g0f s PRO 577 CO 0.00 -0.41 1.43 -0.47 0.04 0.00 0.00 177.00 177.59 3g0f s TYR 578 N -1.02 2.46 0.08 0.56 5.04 -1.26 -4.99 117.35 118.22 3g0f s TYR 578 Ca 0.52 0.72 -0.31 0.00 -2.44 0.00 0.00 57.07 55.57 3g0f s TYR 578 Cb -0.44 -3.82 -0.06 0.00 0.35 0.00 0.00 41.96 37.99 3g0f s TYR 578 CO 0.58 -2.36 1.25 0.34 -1.34 0.00 0.00 175.55 174.02 3g0f s ASP 579 N 3.06 7.01 0.00 4.32 -1.08 -1.26 -4.93 116.67 123.80 3g0f s ASP 579 Ca 0.63 2.11 0.27 0.00 -0.52 0.00 0.00 52.55 55.03 3g0f s ASP 579 Cb -0.23 -2.58 0.80 0.00 -1.46 0.00 0.00 42.92 39.45 3g0f s ASP 579 CO 0.23 -0.51 1.60 1.41 0.52 0.00 0.00 175.17 178.41 3g0f n HIS 580 N 3.86 0.00 0.15 -5.34 8.25 -1.26 -3.62 115.22 117.26 3g0f n HIS 580 Ca 0.09 0.00 0.10 0.00 -0.26 0.00 0.00 57.72 57.65 3g0f n HIS 580 Cb 0.45 -0.14 0.54 0.00 1.12 0.00 0.00 29.99 31.96 3g0f n HIS 580 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 3g0f n LYS 581 N -0.77 0.13 0.08 -0.41 2.85 -1.26 -0.94 118.16 117.84 3g0f n LYS 581 Ca 0.12 0.63 0.05 0.00 -1.05 0.00 0.00 58.31 58.06 3g0f n LYS 581 Cb 0.34 -1.94 -0.03 0.00 -0.65 0.00 0.00 35.03 32.75 3g0f n LYS 581 CO 0.00 0.00 0.00 -1.49 -0.05 0.00 0.00 177.40 175.86 3g0f h TRP 582 N 0.00 0.00 -3.89 5.58 4.06 -1.94 -3.48 115.95 116.28 3g0f h TRP 582 Ca 0.00 0.00 -0.54 0.00 2.06 0.00 0.00 58.89 60.41 3g0f h TRP 582 Cb 0.04 0.00 0.11 0.00 -1.00 0.00 0.00 29.16 28.31 3g0f h TRP 582 CO 0.00 0.33 0.80 -2.00 -3.56 0.00 0.00 178.44 174.00 3g0f s GLU 583 N -3.10 4.10 -0.05 0.49 2.56 -0.11 -1.93 118.70 120.64 3g0f s GLU 583 Ca -0.01 2.60 -0.07 0.00 0.00 0.00 0.00 54.97 57.49 3g0f s GLU 583 Cb 0.09 -2.97 0.01 0.00 2.00 0.00 0.00 34.13 33.26 3g0f s GLU 583 CO 0.79 -0.56 0.17 0.12 -0.56 0.00 0.00 175.26 175.21 3g0f s PHE 584 N -1.01 -0.14 -0.03 5.30 5.36 0.04 -4.84 117.98 122.66 3g0f s PHE 584 Ca 0.54 0.34 -0.30 0.00 -0.96 0.00 0.00 56.93 56.55 3g0f s PHE 584 Cb -0.47 0.04 -0.06 0.00 -0.34 0.00 0.00 43.02 42.19 3g0f s PHE 584 CO 0.62 -0.14 1.62 -2.14 -1.46 0.00 0.00 175.22 173.72 3g0f s PRO 585 N -0.25 4.20 0.00 10.12 0.02 -1.26 -4.44 135.00 143.38 3g0f s PRO 585 Ca -0.03 2.17 0.14 0.00 0.02 0.00 0.00 61.00 63.30 3g0f s PRO 585 Cb -0.03 -3.88 0.60 0.00 0.02 0.00 0.00 34.50 31.21 3g0f s PRO 585 CO 0.01 -0.80 1.44 2.89 -0.33 0.00 0.00 177.00 180.21 3g0f n ARG 586 N 6.72 0.01 -0.09 5.54 1.85 -1.26 -1.25 116.66 128.18 3g0f n ARG 586 Ca 0.17 0.25 0.04 0.00 -1.00 0.00 0.00 57.85 57.31 3g0f n ARG 586 Cb 0.43 -1.50 0.15 0.00 -1.05 0.00 0.00 32.46 30.48 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 -1.49 1.03 -0.54 2.89 2.04 -1.26 -3.45 115.26 114.48 3g0f n ASN 587 Ca 0.04 -1.93 0.07 0.00 -0.44 0.00 0.00 54.58 52.32 3g0f n ASN 587 Cb 0.16 -0.12 0.19 0.00 -2.53 0.00 0.00 39.78 37.48 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 0.03 1.90 -4.88 -3.83 1.74 -0.38 -4.99 116.66 106.25 3g0f n ARG 588 Ca 0.08 -2.84 -0.27 0.00 -0.77 0.00 0.00 57.85 54.06 3g0f n ARG 588 Cb 0.17 -1.67 -0.16 0.00 -1.02 0.00 0.00 32.46 29.79 3g0f n ARG 588 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3g0f s LEU 589 N -2.96 1.94 -0.25 0.55 1.43 -1.22 -1.97 118.68 116.19 3g0f s LEU 589 Ca 0.38 -0.37 0.01 0.00 -1.03 0.00 0.00 54.13 53.12 3g0f s LEU 589 Cb 0.33 -1.01 0.05 0.00 0.03 0.00 0.00 46.19 45.59 3g0f s LEU 589 CO 0.03 0.17 -0.10 -0.44 0.23 0.00 0.00 176.35 176.24 3g0f s SER 590 N -0.00 4.32 0.38 2.29 0.01 -0.58 -4.95 113.70 115.16 3g0f s SER 590 Ca -0.03 -1.18 -0.25 0.00 1.31 0.00 0.00 55.95 55.79 3g0f s SER 590 Cb -0.11 -1.59 -0.09 0.00 0.21 0.00 0.00 66.02 64.44 3g0f s SER 590 CO 0.02 -0.16 1.09 -0.36 0.41 0.00 0.00 173.24 174.24 3g0f s PHE 591 N 1.19 3.26 0.00 2.43 2.99 -1.26 -1.60 117.98 124.99 3g0f s PHE 591 Ca -0.05 1.63 0.00 0.00 0.00 0.00 0.00 56.93 58.51 3g0f s PHE 591 Cb -0.18 -3.24 0.00 0.00 0.00 0.00 0.00 43.02 39.60 3g0f s PHE 591 CO -0.05 -0.83 0.00 0.41 -0.00 0.00 0.00 175.22 174.75 3g0f n GLY 592 N 0.59 5.39 3.77 4.36 0.00 0.19 -4.94 105.19 114.54 3g0f n GLY 592 Ca 0.04 -1.34 -0.38 0.00 0.00 0.00 0.00 46.02 44.33 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 4.70 4.07 0.39 1.61 -2.85 -1.26 -4.59 119.74 121.81 3g0f s LYS 593 Ca 0.00 1.82 -0.25 0.00 -1.00 0.00 0.00 55.97 56.54 3g0f s LYS 593 Cb 0.00 -2.67 -0.09 0.00 -2.06 0.00 0.00 37.83 33.01 3g0f s LYS 593 CO 0.00 -0.30 1.10 0.99 0.10 0.00 0.00 175.35 177.24 3g0f s THR 594 N -1.43 3.48 -0.10 3.79 2.01 -1.26 -1.44 115.64 120.69 3g0f s THR 594 Ca 0.57 1.20 0.11 0.00 0.31 0.00 0.00 61.69 63.89 3g0f s THR 594 Cb -0.30 -3.65 -0.16 0.00 0.01 0.00 0.00 72.50 68.39 3g0f s THR 594 CO 0.38 0.07 0.09 0.18 -0.69 0.00 0.00 174.62 174.65 3g0f n LEU 595 N 0.08 0.00 -3.61 4.42 4.77 0.76 -4.88 117.00 118.55 3g0f n LEU 595 Ca 0.04 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.93 3g0f n LEU 595 Cb 0.48 0.24 -0.06 0.00 -2.33 0.00 0.00 43.42 41.75 3g0f n LEU 595 CO 0.48 0.24 0.80 -0.83 -1.33 0.00 0.00 177.39 176.75 3g0f s GLY 596 N -4.31 -0.18 -0.02 -0.72 0.00 -1.14 -4.97 107.32 95.97 3g0f s GLY 596 Ca -0.06 2.37 -0.06 0.00 0.00 0.00 0.00 44.72 46.98 3g0f s GLY 596 CO 0.51 1.37 0.13 0.00 0.00 0.00 0.00 173.10 175.12 3g0f s ALA 597 N -0.56 -0.31 0.00 3.20 0.00 -0.95 0.49 121.76 123.62 3g0f s ALA 597 Ca 0.01 0.08 0.00 0.00 0.00 0.00 0.00 51.96 52.05 3g0f s ALA 597 Cb -0.02 -0.05 0.00 0.00 0.00 0.00 0.00 23.12 23.05 3g0f s ALA 597 CO -0.02 -0.14 0.00 0.41 0.00 0.00 0.00 175.76 176.00 3g0f n GLY 598 N 2.16 2.87 0.19 0.00 0.00 0.18 -3.28 105.19 107.31 3g0f n GLY 598 Ca -0.18 -2.10 0.03 0.00 0.00 0.00 0.00 46.02 43.76 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 0.16 1.40 -0.00 4.61 0.00 -1.83 -3.33 119.26 120.27 3g0f h ALA 599 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.58 3g0f h ALA 599 Cb 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3g0f h ALA 599 CO 0.00 0.45 -0.17 1.19 0.00 0.00 0.00 179.25 180.72 3g0f n PHE 600 N -4.11 0.00 -3.92 0.00 3.72 -1.26 -4.75 117.46 107.14 3g0f n PHE 600 Ca -0.02 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.29 3g0f n PHE 600 Cb 0.40 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.92 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 -1.30 0.37 -0.01 1.37 0.00 -1.19 -0.10 107.32 106.46 3g0f s GLY 601 Ca 0.02 -0.71 -0.26 0.00 0.00 0.00 0.00 44.72 43.78 3g0f s GLY 601 CO 0.16 -0.40 0.57 -1.59 0.00 0.00 0.00 173.10 171.83 3g0f s LYS 602 N -3.53 0.99 -0.16 2.90 -2.85 -0.33 0.47 119.74 117.23 3g0f s LYS 602 Ca 0.18 0.02 -0.05 0.00 -1.00 0.00 0.00 55.97 55.12 3g0f s LYS 602 Cb -0.04 0.46 -0.03 0.00 -2.06 0.00 0.00 37.83 36.16 3g0f s LYS 602 CO 0.10 -0.33 0.01 0.08 0.10 0.00 0.00 175.35 175.31 3g0f s VAL 603 N -1.65 4.30 -0.02 1.79 1.01 0.18 -2.16 120.40 123.84 3g0f s VAL 603 Ca -0.09 -0.22 0.08 0.00 0.00 0.00 0.00 61.98 61.75 3g0f s VAL 603 Cb -0.01 -2.90 -0.02 0.00 0.00 0.00 0.00 36.38 33.45 3g0f s VAL 603 CO 0.05 0.49 -0.26 -0.69 0.00 0.00 0.00 175.10 174.70 3g0f s VAL 604 N 0.23 2.02 0.34 2.92 1.01 0.11 -0.17 120.40 126.86 3g0f s VAL 604 Ca 0.00 -1.09 -0.27 0.00 0.00 0.00 0.00 61.98 60.62 3g0f s VAL 604 Cb -0.13 -1.68 -0.09 0.00 0.00 0.00 0.00 36.38 34.48 3g0f s VAL 604 CO 0.02 0.57 1.10 -0.70 0.00 0.00 0.00 175.10 176.09 3g0f s GLU 605 N -0.56 4.40 0.18 2.72 2.12 -0.52 0.01 118.70 127.04 3g0f s GLU 605 Ca 0.09 1.73 -0.19 0.00 0.36 0.00 0.00 54.97 56.96 3g0f s GLU 605 Cb -0.10 -2.91 0.04 0.00 0.26 0.00 0.00 34.13 31.41 3g0f s GLU 605 CO -0.01 0.01 0.53 0.00 -0.54 0.00 0.00 175.26 175.26 3g0f s ALA 606 N -1.35 -1.09 -0.16 6.30 0.00 -0.69 0.56 121.76 125.32 3g0f s ALA 606 Ca 0.50 -0.05 -0.02 0.00 0.00 0.00 0.00 51.96 52.40 3g0f s ALA 606 Cb -0.29 0.83 -0.01 0.00 0.00 0.00 0.00 23.12 23.65 3g0f s ALA 606 CO 0.37 -0.78 -0.10 0.99 0.00 0.00 0.00 175.76 176.24 3g0f s THR 607 N -3.84 3.23 -0.27 0.00 2.01 -0.63 -1.20 115.64 114.94 3g0f s THR 607 Ca 0.06 -0.58 -0.06 0.00 0.31 0.00 0.00 61.69 61.43 3g0f s THR 607 Cb -0.01 -2.39 0.00 0.00 0.01 0.00 0.00 72.50 70.11 3g0f s THR 607 CO -0.06 0.50 0.04 0.00 -0.69 0.00 0.00 174.62 174.41 3g0f s ALA 608 N 0.66 2.99 -0.11 7.40 0.00 -0.50 -1.53 121.76 130.67 3g0f s ALA 608 Ca -0.05 -1.38 -0.19 0.00 0.00 0.00 0.00 51.96 50.34 3g0f s ALA 608 Cb -0.15 -2.01 -0.04 0.00 0.00 0.00 0.00 23.12 20.92 3g0f s ALA 608 CO 0.02 -0.79 0.53 0.71 0.00 0.00 0.00 175.76 176.24 3g0f s TYR 609 N 1.48 3.51 -1.03 0.00 2.02 -0.83 -2.55 117.35 119.95 3g0f s TYR 609 Ca 0.03 0.95 -0.02 0.00 -0.37 0.00 0.00 57.07 57.67 3g0f s TYR 609 Cb -0.16 -2.62 0.00 0.00 -0.40 0.00 0.00 41.96 38.78 3g0f s TYR 609 CO 0.01 0.13 0.87 0.41 -1.57 0.00 0.00 175.55 175.40 3g0f n GLY 610 N 3.29 -0.24 0.12 0.71 0.00 -0.19 -4.91 105.19 103.97 3g0f n GLY 610 Ca -0.06 0.03 -0.17 0.00 0.00 0.00 0.00 46.02 45.82 3g0f n GLY 610 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3g0f n LEU 611 N -3.78 2.28 -4.08 0.99 7.94 -1.26 -4.89 117.00 114.20 3g0f n LEU 611 Ca -0.17 0.03 -0.25 0.00 -1.11 0.00 0.00 56.01 54.51 3g0f n LEU 611 Cb 0.62 -0.68 -0.16 0.00 0.53 0.00 0.00 43.42 43.73 3g0f n LEU 611 CO 0.52 0.81 -0.48 -0.63 -1.11 0.00 0.00 177.39 176.49 3g0f s ILE 612 N -2.53 1.25 -0.31 1.96 -1.09 -1.26 -5.03 121.20 114.20 3g0f s ILE 612 Ca -0.25 -0.59 0.17 0.00 -2.23 0.00 0.00 60.65 57.75 3g0f s ILE 612 Cb 0.08 -1.11 0.17 0.00 -1.58 0.00 0.00 42.46 40.02 3g0f s ILE 612 CO 0.70 0.37 1.50 1.17 -1.23 0.00 0.00 174.94 177.46 3g0f n LYS 613 N 3.46 0.11 -0.01 2.79 4.81 -1.26 -0.78 118.16 127.27 3g0f n LYS 613 Ca -0.20 0.60 -0.14 0.00 -0.87 0.00 0.00 58.31 57.70 3g0f n LYS 613 Cb 0.53 -1.90 -0.14 0.00 0.02 0.00 0.00 35.03 33.54 3g0f n LYS 613 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 3g0f n SER 614 N -2.10 1.40 -4.20 3.14 3.41 -1.26 -4.78 113.62 109.23 3g0f n SER 614 Ca -0.01 0.32 -0.37 0.00 -0.26 0.00 0.00 58.87 58.55 3g0f n SER 614 Cb 0.06 -0.39 -0.12 0.00 -0.26 0.00 0.00 64.21 63.50 3g0f n SER 614 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3g0f s ASP 615 N -6.49 5.17 0.32 4.04 -1.08 0.04 -4.96 116.67 113.71 3g0f s ASP 615 Ca -0.12 -1.43 0.10 0.00 -0.52 0.00 0.00 52.55 50.58 3g0f s ASP 615 Cb 0.07 -1.81 0.53 0.00 -1.46 0.00 0.00 42.92 40.25 3g0f s ASP 615 CO 0.80 -0.37 1.72 0.00 0.52 0.00 0.00 175.17 177.84 3g0f h ALA 616 N 8.11 1.18 -2.60 3.66 0.00 -1.87 -3.35 119.26 124.40 3g0f h ALA 616 Ca -0.20 -0.43 -0.47 0.00 0.00 0.00 0.00 54.91 53.81 3g0f h ALA 616 Cb 1.07 -0.08 -0.38 0.00 0.00 0.00 0.00 17.79 18.40 3g0f h ALA 616 CO 0.61 0.59 -0.74 0.00 0.00 0.00 0.00 179.25 179.71 3g0f s ALA 617 N -4.01 0.32 0.03 0.00 0.00 -1.26 -1.02 121.76 115.81 3g0f s ALA 617 Ca -0.03 -0.89 0.05 0.00 0.00 0.00 0.00 51.96 51.09 3g0f s ALA 617 Cb 0.14 -1.52 -0.03 0.00 0.00 0.00 0.00 23.12 21.71 3g0f s ALA 617 CO 0.75 -1.68 -0.13 0.00 0.00 0.00 0.00 175.76 174.70 3g0f s MET 618 N 2.14 2.29 0.25 0.00 0.23 -1.06 -4.91 119.30 118.25 3g0f s MET 618 Ca 0.09 -0.87 -0.30 0.00 -1.03 0.00 0.00 55.69 53.59 3g0f s MET 618 Cb -0.16 -2.33 -0.09 0.00 -1.53 0.00 0.00 34.83 30.72 3g0f s MET 618 CO -0.35 0.57 1.12 0.99 -2.03 0.00 0.00 175.02 175.32 3g0f s THR 619 N -0.97 3.53 0.23 3.16 2.01 -1.26 -1.41 115.64 120.93 3g0f s THR 619 Ca 0.16 1.46 -0.01 0.00 0.31 0.00 0.00 61.69 63.61 3g0f s THR 619 Cb -0.11 -3.93 -0.03 0.00 0.01 0.00 0.00 72.50 68.44 3g0f s THR 619 CO 0.07 0.31 0.20 0.68 -0.69 0.00 0.00 174.62 175.19 3g0f s VAL 620 N -0.84 0.00 -0.05 3.82 -7.23 -0.34 -4.33 120.40 111.43 3g0f s VAL 620 Ca 0.47 -1.93 0.03 0.00 -1.81 0.00 0.00 61.98 58.74 3g0f s VAL 620 Cb -0.32 -2.48 -0.03 0.00 0.56 0.00 0.00 36.38 34.11 3g0f s VAL 620 CO 0.40 0.00 -0.13 0.00 -0.31 0.00 0.00 175.10 175.06 3g0f s ALA 621 N -3.99 2.72 -0.09 1.32 0.00 -0.17 -1.71 121.76 119.84 3g0f s ALA 621 Ca 0.38 -0.97 0.03 0.00 0.00 0.00 0.00 51.96 51.39 3g0f s ALA 621 Cb 0.05 -1.00 0.01 0.00 0.00 0.00 0.00 23.12 22.18 3g0f s ALA 621 CO 0.15 0.56 -0.19 0.08 0.00 0.00 0.00 175.76 176.36 3g0f s VAL 622 N -0.76 1.66 -0.15 0.00 1.01 0.10 -0.82 120.40 121.45 3g0f s VAL 622 Ca 0.12 -0.78 -0.07 0.00 0.00 0.00 0.00 61.98 61.24 3g0f s VAL 622 Cb -0.11 -1.47 -0.04 0.00 0.00 0.00 0.00 36.38 34.76 3g0f s VAL 622 CO 0.01 0.47 0.10 -0.75 0.00 0.00 0.00 175.10 174.94 3g0f s LYS 623 N 0.56 3.73 0.05 2.72 2.47 -0.19 0.07 119.74 129.15 3g0f s LYS 623 Ca -0.15 -0.23 -0.27 0.00 -1.56 0.00 0.00 55.97 53.75 3g0f s LYS 623 Cb -0.17 -3.22 0.07 0.00 -1.46 0.00 0.00 37.83 33.05 3g0f s LYS 623 CO 0.05 0.52 0.63 0.00 0.16 0.00 0.00 175.35 176.71 3g0f s MET 624 N -0.29 1.16 0.42 4.03 0.23 -0.92 -1.62 119.30 122.31 3g0f s MET 624 Ca 0.10 -0.11 -0.15 0.00 -1.03 0.00 0.00 55.69 54.50 3g0f s MET 624 Cb -0.12 0.54 -0.08 0.00 -1.53 0.00 0.00 34.83 33.64 3g0f s MET 624 CO 0.01 -0.44 0.85 -0.51 -2.03 0.00 0.00 175.02 172.90 3g0f s LEU 625 N -1.96 3.84 0.32 0.18 1.43 -1.26 -1.19 118.68 120.03 3g0f s LEU 625 Ca -0.05 1.37 -0.07 0.00 -1.03 0.00 0.00 54.13 54.34 3g0f s LEU 625 Cb -0.01 -4.24 -0.06 0.00 0.03 0.00 0.00 46.19 41.91 3g0f s LEU 625 CO -0.01 -0.40 0.62 -0.54 0.23 0.00 0.00 176.35 176.24 3g0f s LYS 626 N -3.63 3.70 0.00 1.70 1.02 0.85 -4.86 119.74 118.52 3g0f s LYS 626 Ca 0.56 0.18 0.00 0.00 0.02 0.00 0.00 55.97 56.73 3g0f s LYS 626 Cb -0.10 -2.57 0.00 0.00 -0.52 0.00 0.00 37.83 34.64 3g0f s LYS 626 CO 0.26 0.15 0.40 -2.30 -0.92 0.00 0.00 175.35 172.93 3g0f n PRO 627 N -0.95 0.00 0.00 -1.68 -0.02 -1.26 -1.14 135.00 129.95 3g0f n PRO 627 Ca -0.00 0.00 0.15 0.00 -2.02 0.00 0.00 63.50 61.63 3g0f n PRO 627 Cb 0.54 -1.41 0.77 0.00 -0.02 0.00 0.00 33.50 33.38 3g0f n PRO 627 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 3g0f n SER 628 N -0.90 0.10 -4.88 2.55 7.64 -1.26 -4.94 113.62 111.94 3g0f n SER 628 Ca 0.00 -0.42 -0.35 0.00 1.01 0.00 0.00 58.87 59.11 3g0f n SER 628 Cb 0.00 -0.18 -0.05 0.00 -1.01 0.00 0.00 64.21 62.96 3g0f n SER 628 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3g0f s ALA 629 N -2.43 3.83 0.20 -0.43 0.00 -0.29 -4.94 121.76 117.71 3g0f s ALA 629 Ca 0.33 -0.54 0.02 0.00 0.00 0.00 0.00 51.96 51.77 3g0f s ALA 629 Cb 0.21 -2.09 0.03 0.00 0.00 0.00 0.00 23.12 21.26 3g0f s ALA 629 CO 0.44 0.63 0.24 0.72 0.00 0.00 0.00 175.76 177.79 3g0f n HIS 630 N 1.21 -2.85 -0.14 0.00 8.25 -1.26 -4.93 115.22 115.49 3g0f n HIS 630 Ca -0.12 -0.60 0.00 0.00 -0.26 0.00 0.00 57.72 56.75 3g0f n HIS 630 Cb 0.53 -0.16 0.26 0.00 1.12 0.00 0.00 29.99 31.74 3g0f n HIS 630 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 3g0f h LEU 631 N 0.00 0.75 -0.39 2.41 5.85 -1.99 -2.41 115.31 119.53 3g0f h LEU 631 Ca -0.08 -0.06 0.03 0.00 0.84 0.00 0.00 57.88 58.61 3g0f h LEU 631 Cb 0.36 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.16 3g0f h LEU 631 CO 0.11 0.61 0.20 0.74 -0.34 0.00 0.00 178.44 179.77 3g0f h THR 632 N 0.85 0.99 -0.49 1.05 2.02 -2.00 -2.11 112.91 113.24 3g0f h THR 632 Ca 0.22 -0.14 -0.10 0.00 0.77 0.00 0.00 66.41 67.15 3g0f h THR 632 Cb 0.03 0.54 -0.02 0.00 -1.74 0.00 0.00 68.15 66.97 3g0f h THR 632 CO -0.03 0.08 -0.09 -0.33 0.37 0.00 0.00 175.52 175.51 3g0f h GLU 633 N 0.41 0.92 -0.36 6.66 3.07 -1.88 -1.96 114.58 121.45 3g0f h GLU 633 Ca 0.16 -0.34 0.01 0.00 -0.50 0.00 0.00 59.36 58.69 3g0f h GLU 633 Cb 0.06 -0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 27.89 3g0f h GLU 633 CO -0.10 1.00 0.24 -0.09 -1.40 0.00 0.00 179.01 178.65 3g0f h ARG 634 N 0.78 0.45 0.16 2.33 2.43 -1.10 -0.52 114.38 118.91 3g0f h ARG 634 Ca 0.13 -0.03 -0.29 0.00 -0.81 0.00 0.00 59.98 58.98 3g0f h ARG 634 Cb 0.64 -0.10 0.01 0.00 -0.42 0.00 0.00 29.97 30.11 3g0f h ARG 634 CO 0.04 0.30 -1.30 0.93 -1.51 0.00 0.00 179.97 178.42 3g0f h GLU 635 N 0.46 0.34 -0.31 0.20 5.08 -1.23 -2.89 114.58 116.23 3g0f h GLU 635 Ca 0.13 -0.59 0.01 0.00 -1.00 0.00 0.00 59.36 57.92 3g0f h GLU 635 Cb -0.02 0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 3g0f h GLU 635 CO -0.03 1.28 0.19 0.00 -1.00 0.00 0.00 179.01 179.45 3g0f h ALA 636 N 0.47 0.38 -0.72 3.43 0.00 -0.52 0.90 119.26 123.21 3g0f h ALA 636 Ca -0.17 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 3g0f h ALA 636 Cb 2.02 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 19.68 3g0f h ALA 636 CO 0.22 -0.18 0.37 1.25 0.00 0.00 0.00 179.25 180.92 3g0f h LEU 637 N 0.38 0.91 -0.42 0.00 5.85 -1.18 0.05 115.31 120.89 3g0f h LEU 637 Ca 0.12 -0.08 -0.16 0.00 0.84 0.00 0.00 57.88 58.59 3g0f h LEU 637 Cb -0.01 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.78 3g0f h LEU 637 CO -0.05 0.75 -0.42 -0.03 -0.34 0.00 0.00 178.44 178.35 3g0f h MET 638 N 1.01 0.87 -0.63 1.25 4.05 -1.24 -1.61 114.93 118.64 3g0f h MET 638 Ca 0.25 -0.47 0.04 0.00 -0.28 0.00 0.00 59.70 59.23 3g0f h MET 638 Cb 0.06 0.02 -0.04 0.00 -0.80 0.00 0.00 31.60 30.84 3g0f h MET 638 CO -0.04 1.12 0.38 0.77 0.23 0.00 0.00 176.91 179.37 3g0f h SER 639 N 0.70 0.60 -0.06 1.39 0.02 -0.38 0.42 113.55 116.25 3g0f h SER 639 Ca 0.05 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 3g0f h SER 639 Cb 1.01 -0.11 -0.00 0.00 0.14 0.00 0.00 62.40 63.43 3g0f h SER 639 CO 0.10 0.41 0.04 -0.08 -1.14 0.00 0.00 176.83 176.15 3g0f h GLU 640 N 0.73 0.08 -0.55 3.45 4.81 -0.81 0.13 114.58 122.41 3g0f h GLU 640 Ca 0.26 -0.01 0.09 0.00 -0.13 0.00 0.00 59.36 59.58 3g0f h GLU 640 Cb 0.07 -0.02 -0.07 0.00 0.63 0.00 0.00 28.75 29.36 3g0f h GLU 640 CO -0.12 0.07 0.15 1.25 -0.73 0.00 0.00 179.01 179.63 3g0f h LEU 641 N 0.06 0.08 -0.28 1.64 5.85 -1.07 0.09 115.31 121.69 3g0f h LEU 641 Ca 0.02 0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.81 3g0f h LEU 641 Cb 0.01 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 3g0f h LEU 641 CO -0.00 0.06 0.09 0.11 -0.34 0.00 0.00 178.44 178.35 3g0f h LYS 642 N 0.30 0.43 -0.18 1.25 1.57 -0.39 -1.43 116.57 118.13 3g0f h LYS 642 Ca 0.28 -0.09 0.05 0.00 -1.87 0.00 0.00 60.65 59.02 3g0f h LYS 642 Cb 0.38 -0.06 -0.05 0.00 0.08 0.00 0.00 32.23 32.57 3g0f h LYS 642 CO -0.33 0.49 -0.14 0.28 -0.57 0.00 0.00 179.45 179.18 3g0f h VAL 643 N 0.29 0.61 -0.43 0.50 2.07 -0.34 -2.10 116.25 116.85 3g0f h VAL 643 Ca 0.09 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.61 3g0f h VAL 643 Cb 0.24 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 30.60 3g0f h VAL 643 CO -0.00 0.00 0.28 -0.07 0.02 0.00 0.00 177.57 177.79 3g0f h LEU 644 N -0.14 0.49 -1.75 2.57 3.38 -0.83 -1.91 115.31 117.12 3g0f h LEU 644 Ca 0.11 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 3g0f h LEU 644 Cb 0.30 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 3g0f h LEU 644 CO -0.26 0.36 -0.14 -1.28 0.09 0.00 0.00 178.44 177.21 3g0f h SER 645 N 0.58 0.00 0.34 -0.43 0.87 -0.56 -3.14 113.55 111.20 3g0f h SER 645 Ca 0.16 0.00 -0.22 0.00 -1.23 0.00 0.00 61.79 60.50 3g0f h SER 645 Cb -0.05 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 61.87 3g0f h SER 645 CO -0.03 0.14 -1.86 0.00 -0.53 0.00 0.00 176.83 174.55 3g0f n TYR 646 N -3.55 0.51 -0.15 2.24 9.36 -0.74 -4.53 117.16 120.30 3g0f n TYR 646 Ca -0.01 0.17 -0.03 0.00 3.32 0.00 0.00 57.90 61.35 3g0f n TYR 646 Cb 0.28 -0.97 0.04 0.00 -0.63 0.00 0.00 39.34 38.06 3g0f n TYR 646 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 3g0f h LEU 647 N 0.00 -0.33 0.00 2.98 3.38 -1.45 -3.49 115.31 116.40 3g0f h LEU 647 Ca -0.28 0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.83 3g0f h LEU 647 Cb 1.75 0.25 0.00 0.00 0.09 0.00 0.00 40.66 42.76 3g0f h LEU 647 CO 0.04 -0.12 0.00 0.61 0.09 0.00 0.00 178.44 179.06 3g0f n GLY 648 N -1.33 0.37 3.91 0.83 0.00 -1.26 -4.99 105.19 102.72 3g0f n GLY 648 Ca 0.05 -2.00 -0.28 0.00 0.00 0.00 0.00 46.02 43.78 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 -0.45 6.43 -0.09 1.61 0.02 -1.26 -4.92 114.94 116.27 3g0f s ASN 649 Ca 0.00 0.54 -0.27 0.00 -1.02 0.00 0.00 52.86 52.11 3g0f s ASN 649 Cb 0.00 -2.07 0.06 0.00 0.02 0.00 0.00 41.25 39.26 3g0f s ASN 649 CO 0.00 -0.07 0.62 -2.28 0.02 0.00 0.00 177.10 175.39 3g0f s HIS 650 N -1.90 -0.60 0.52 2.20 2.46 -1.26 -5.04 115.29 111.66 3g0f s HIS 650 Ca 0.41 1.15 0.17 0.00 0.47 0.00 0.00 55.06 57.26 3g0f s HIS 650 Cb -0.11 0.33 1.27 0.00 -0.13 0.00 0.00 32.58 33.94 3g0f s HIS 650 CO 0.28 -0.52 2.12 1.98 -2.47 0.00 0.00 174.74 176.13 3g0f h MET 651 N 3.61 0.03 -0.59 2.88 4.05 -1.99 -3.01 114.93 119.90 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 -0.01 0.00 0.00 -0.80 0.00 0.00 31.60 31.95 3g0f h MET 651 CO 0.32 0.02 0.00 0.09 0.23 0.00 0.00 176.91 177.57 3g0f n ASN 652 N -4.51 4.70 -4.50 1.39 4.13 -1.26 -4.80 115.26 110.40 3g0f n ASN 652 Ca -0.00 -2.53 -0.24 0.00 1.68 0.00 0.00 54.58 53.48 3g0f n ASN 652 Cb 0.18 -0.57 -0.10 0.00 -1.54 0.00 0.00 39.78 37.75 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 2.01 -0.27 2.41 -4.36 -1.14 -0.46 121.20 117.39 3g0f s ILE 653 Ca 0.49 -2.17 -0.27 0.00 -0.26 0.00 0.00 60.65 58.44 3g0f s ILE 653 Cb 0.33 -2.59 0.01 0.00 1.25 0.00 0.00 42.46 41.45 3g0f s ILE 653 CO 0.22 -0.23 0.96 -0.69 0.24 0.00 0.00 174.94 175.45 3g0f s VAL 654 N -2.77 4.68 0.14 8.37 1.01 -0.47 -4.72 120.40 126.64 3g0f s VAL 654 Ca 0.32 1.71 -0.07 0.00 0.00 0.00 0.00 61.98 63.93 3g0f s VAL 654 Cb 0.03 -4.27 -0.06 0.00 0.00 0.00 0.00 36.38 32.08 3g0f s VAL 654 CO 0.15 -0.26 0.41 0.20 0.00 0.00 0.00 175.10 175.61 3g0f s ASN 655 N 1.43 6.56 0.20 3.32 0.01 -1.26 -4.85 114.94 120.36 3g0f s ASN 655 Ca 0.41 0.71 -0.31 0.00 -0.71 0.00 0.00 52.86 52.96 3g0f s ASN 655 Cb -0.14 -2.14 -0.10 0.00 0.41 0.00 0.00 41.25 39.27 3g0f s ASN 655 CO 0.10 0.07 1.54 -0.22 -1.51 0.00 0.00 177.10 177.08 3g0f s LEU 656 N -2.45 4.37 -0.08 0.60 2.96 -1.26 -2.14 118.68 120.68 3g0f s LEU 656 Ca 0.40 2.66 0.08 0.00 -0.22 0.00 0.00 54.13 57.05 3g0f s LEU 656 Cb -0.13 -3.60 -0.12 0.00 0.50 0.00 0.00 46.19 42.84 3g0f s LEU 656 CO 0.22 -0.80 0.05 0.18 -1.32 0.00 0.00 176.35 174.67 3g0f n LEU 657 N 3.39 0.00 0.00 -0.68 4.77 0.17 -4.94 117.00 119.71 3g0f n LEU 657 Ca 0.12 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 3g0f n LEU 657 Cb 0.39 0.21 0.00 0.00 -2.33 0.00 0.00 43.42 41.69 3g0f n LEU 657 CO 0.61 0.21 0.00 0.61 -1.33 0.00 0.00 177.39 177.49 3g0f n GLY 658 N 2.40 0.23 3.15 -0.72 0.00 -0.87 -5.00 105.19 104.38 3g0f n GLY 658 Ca -0.14 -1.07 -0.09 0.00 0.00 0.00 0.00 46.02 44.73 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 0.69 -0.21 4.61 0.00 -0.81 0.46 121.76 124.50 3g0f s ALA 659 Ca 0.00 -1.35 -0.00 0.00 0.00 0.00 0.00 51.96 50.61 3g0f s ALA 659 Cb 0.00 0.72 0.05 0.00 0.00 0.00 0.00 23.12 23.89 3g0f s ALA 659 CO 0.00 -0.47 -0.04 0.00 0.00 0.00 0.00 175.76 175.25 3g0f n THR 661 N 4.80 0.55 -2.94 0.00 -2.24 -1.26 -1.10 114.28 112.09 3g0f n THR 661 Ca -0.12 -0.23 -0.40 0.00 -2.27 0.00 0.00 64.05 61.03 3g0f n THR 661 Cb 0.46 -0.83 -0.05 0.00 -2.10 0.00 0.00 70.33 67.80 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 -2.19 4.62 -0.16 2.28 -4.36 -1.26 -4.29 121.20 115.84 3g0f s ILE 662 Ca -0.11 1.72 -0.01 0.00 -0.26 0.00 0.00 60.65 61.99 3g0f s ILE 662 Cb 0.03 -4.16 0.00 0.00 1.25 0.00 0.00 42.46 39.59 3g0f s ILE 662 CO 0.24 0.39 0.14 0.61 0.24 0.00 0.00 174.94 176.56 3g0f n GLY 663 N 2.21 0.76 0.00 6.27 0.00 -1.26 -4.93 105.19 108.24 3g0f n GLY 663 Ca -0.02 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.70 -0.52 3.75 -0.02 0.00 -1.26 -5.07 105.19 101.37 3g0f n GLY 664 Ca -0.00 -1.63 -0.34 0.00 0.00 0.00 0.00 46.02 44.05 3g0f n GLY 664 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3g0f s PRO 665 N -1.70 2.52 0.18 1.61 0.02 -1.26 -4.84 135.00 131.53 3g0f s PRO 665 Ca 0.00 1.61 -0.31 0.00 0.02 0.00 0.00 61.00 62.33 3g0f s PRO 665 Cb 0.00 -1.90 -0.09 0.00 0.02 0.00 0.00 34.50 32.53 3g0f s PRO 665 CO 0.00 -1.51 1.47 0.99 -0.33 0.00 0.00 177.00 177.62 3g0f s THR 666 N -2.08 2.86 -0.11 0.99 2.01 -1.26 -4.70 115.64 113.35 3g0f s THR 666 Ca 0.72 0.65 0.02 0.00 0.31 0.00 0.00 61.69 63.38 3g0f s THR 666 Cb -0.26 -3.41 0.01 0.00 0.01 0.00 0.00 72.50 68.85 3g0f s THR 666 CO 0.42 0.07 -0.16 -0.76 -0.69 0.00 0.00 174.62 173.49 3g0f s LEU 667 N 0.63 1.78 -0.28 4.42 1.43 -0.26 -4.52 118.68 121.88 3g0f s LEU 667 Ca 0.65 -0.44 -0.08 0.00 -1.03 0.00 0.00 54.13 53.22 3g0f s LEU 667 Cb -0.41 -1.12 -0.02 0.00 0.03 0.00 0.00 46.19 44.67 3g0f s LEU 667 CO 0.35 0.03 0.10 -0.69 0.23 0.00 0.00 176.35 176.38 3g0f s VAL 668 N 0.89 4.39 -0.27 -1.59 1.01 -0.64 -0.52 120.40 123.68 3g0f s VAL 668 Ca -0.08 -0.33 -0.10 0.00 0.00 0.00 0.00 61.98 61.47 3g0f s VAL 668 Cb -0.15 -3.15 -0.05 0.00 0.00 0.00 0.00 36.38 33.03 3g0f s VAL 668 CO -0.00 0.20 0.16 -0.63 0.00 0.00 0.00 175.10 174.83 3g0f s ILE 669 N 1.60 5.13 0.41 2.22 1.01 0.17 -1.03 121.20 130.72 3g0f s ILE 669 Ca 0.05 0.11 0.04 0.00 0.00 0.00 0.00 60.65 60.85 3g0f s ILE 669 Cb -0.16 -3.43 -0.02 0.00 0.01 0.00 0.00 42.46 38.85 3g0f s ILE 669 CO 0.05 0.28 0.12 0.42 0.00 0.00 0.00 174.94 175.81 3g0f s THR 670 N 1.62 0.63 0.47 2.92 -4.23 0.00 0.45 115.64 117.50 3g0f s THR 670 Ca 0.07 -2.00 -0.24 0.00 -1.18 0.00 0.00 61.69 58.34 3g0f s THR 670 Cb -0.15 -2.35 -0.07 0.00 1.34 0.00 0.00 72.50 71.26 3g0f s THR 670 CO 0.09 0.00 1.32 -1.61 -0.54 0.00 0.00 174.62 173.88 3g0f s GLU 671 N -3.72 3.62 -0.07 3.99 2.02 -0.91 -1.00 118.70 122.63 3g0f s GLU 671 Ca 0.23 2.17 -0.15 0.00 0.02 0.00 0.00 54.97 57.25 3g0f s GLU 671 Cb 0.03 -2.52 -0.05 0.00 0.10 0.00 0.00 34.13 31.68 3g0f s GLU 671 CO 0.14 -0.79 0.40 -0.47 0.02 0.00 0.00 175.26 174.56 3g0f s TYR 672 N -1.31 3.61 -0.33 1.61 5.04 -1.26 -4.26 117.35 120.45 3g0f s TYR 672 Ca 0.63 0.88 0.01 0.00 -2.44 0.00 0.00 57.07 56.15 3g0f s TYR 672 Cb -0.38 -2.37 0.08 0.00 0.35 0.00 0.00 41.96 39.64 3g0f s TYR 672 CO 0.48 0.43 0.05 0.00 -1.34 0.00 0.00 175.55 175.17 3g0f n TYR 675 N -3.73 0.34 -4.34 0.00 0.53 -0.50 -5.04 117.16 104.44 3g0f n TYR 675 Ca -0.02 -0.17 0.00 0.00 -1.02 0.00 0.00 57.90 56.69 3g0f n TYR 675 Cb 0.20 0.00 0.00 0.00 -1.03 0.00 0.00 39.34 38.51 3g0f n TYR 675 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 3g0f n GLY 676 N 1.18 -0.67 3.93 2.72 0.00 -0.83 -4.69 105.19 106.84 3g0f n GLY 676 Ca 0.16 -1.15 -0.25 0.00 0.00 0.00 0.00 46.02 44.78 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 6.33 0.16 1.61 -4.77 -1.26 -0.28 116.67 114.46 3g0f s ASP 677 Ca 0.00 0.49 -0.06 0.00 -3.30 0.00 0.00 52.55 49.68 3g0f s ASP 677 Cb 0.00 -2.05 0.02 0.00 -1.09 0.00 0.00 42.92 39.80 3g0f s ASP 677 CO 0.00 -0.24 1.43 0.25 0.70 0.00 0.00 175.17 177.31 3g0f h LEU 678 N 1.09 0.69 0.09 2.11 5.85 -0.36 -2.57 115.31 122.22 3g0f h LEU 678 Ca -0.49 -0.41 -0.00 0.00 0.84 0.00 0.00 57.88 57.82 3g0f h LEU 678 Cb 1.21 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 42.04 3g0f h LEU 678 CO 0.63 1.16 -0.04 0.25 -0.34 0.00 0.00 178.44 180.10 3g0f h LEU 679 N 0.44 -0.10 -0.12 2.25 5.85 -1.79 0.24 115.31 122.08 3g0f h LEU 679 Ca -0.01 -0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.71 3g0f h LEU 679 Cb 1.22 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 42.25 3g0f h LEU 679 CO 0.12 -0.04 -0.08 0.78 -0.34 0.00 0.00 178.44 178.88 3g0f h ASN 680 N -0.15 -0.25 -0.27 1.25 2.35 -1.89 -0.18 115.58 116.45 3g0f h ASN 680 Ca -0.01 0.06 0.06 0.00 -0.55 0.00 0.00 56.30 55.86 3g0f h ASN 680 Cb 0.12 0.13 -0.07 0.00 0.05 0.00 0.00 38.32 38.55 3g0f h ASN 680 CO 0.02 -0.11 -0.16 0.15 -1.65 0.00 0.00 177.43 175.68 3g0f h PHE 681 N -0.08 -0.41 -0.91 1.19 3.57 -1.27 0.40 116.94 119.44 3g0f h PHE 681 Ca 0.07 0.03 0.08 0.00 3.53 0.00 0.00 57.97 61.69 3g0f h PHE 681 Cb 0.19 0.22 -0.06 0.00 2.79 0.00 0.00 35.95 39.08 3g0f h PHE 681 CO -0.20 -0.24 0.59 -0.07 -2.23 0.00 0.00 178.31 176.16 3g0f h LEU 682 N -0.14 0.87 0.06 0.59 3.38 0.06 -2.44 115.31 117.70 3g0f h LEU 682 Ca 0.14 0.02 -0.24 0.00 0.09 0.00 0.00 57.88 57.89 3g0f h LEU 682 Cb 0.36 -0.17 0.02 0.00 0.09 0.00 0.00 40.66 40.96 3g0f h LEU 682 CO -0.35 0.54 -0.99 0.03 0.09 0.00 0.00 178.44 177.76 3g0f h ARG 683 N 0.98 0.55 0.00 1.13 3.08 0.16 -2.30 114.38 117.98 3g0f h ARG 683 Ca 0.41 -0.68 0.00 0.00 0.07 0.00 0.00 59.98 59.78 3g0f h ARG 683 Cb 0.30 0.21 0.00 0.00 0.08 0.00 0.00 29.97 30.56 3g0f h ARG 683 CO -0.17 1.28 0.00 2.89 -1.07 0.00 0.00 179.97 182.91 3g0f n ARG 684 N -3.96 0.13 -0.06 0.04 1.85 0.02 -2.13 116.66 112.54 3g0f n ARG 684 Ca -0.12 0.16 0.06 0.00 -1.00 0.00 0.00 57.85 56.94 3g0f n ARG 684 Cb 0.86 -1.50 0.09 0.00 -1.05 0.00 0.00 32.46 30.86 3g0f n ARG 684 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 3g0f n LYS 685 N -1.39 1.36 0.24 2.89 4.76 -0.93 -4.60 118.16 120.49 3g0f n LYS 685 Ca 0.06 -1.50 0.08 0.00 -2.87 0.00 0.00 58.31 54.09 3g0f n LYS 685 Cb 0.18 -1.25 0.59 0.00 -1.84 0.00 0.00 35.03 32.70 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 2.31 0.00 0.03 1.97 2.43 -0.88 -3.26 114.38 116.97 3g0f h ARG 686 Ca 0.00 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3g0f h ARG 686 Cb 0.58 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.13 3g0f h ARG 686 CO 0.00 0.16 -0.01 0.38 -1.51 0.00 0.00 179.97 178.99 3g0f h ASP 687 N 0.00 -0.03 -0.65 -3.80 2.03 -1.81 -3.38 116.42 108.78 3g0f h ASP 687 Ca -0.00 0.00 -0.68 0.00 -0.73 0.00 0.00 57.03 55.62 3g0f h ASP 687 Cb 0.33 0.01 -0.07 0.00 -0.83 0.00 0.00 39.33 38.77 3g0f h ASP 687 CO 0.02 0.03 2.42 -1.54 -1.03 0.00 0.00 179.24 179.14 3g0f n SER 688 N -2.41 4.67 -4.22 4.15 3.41 -1.23 -5.17 113.62 112.81 3g0f n SER 688 Ca -0.00 -2.90 -0.38 0.00 -0.26 0.00 0.00 58.87 55.33 3g0f n SER 688 Cb 0.01 -1.73 -0.11 0.00 -0.26 0.00 0.00 64.21 62.12 3g0f n SER 688 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 3g0f s PHE 689 N 4.05 3.37 0.00 7.33 5.99 -1.25 -4.94 117.98 132.54 3g0f s PHE 689 Ca 0.52 -1.78 0.00 0.00 0.00 0.00 0.00 56.93 55.68 3g0f s PHE 689 Cb 0.06 -2.78 0.00 0.00 0.00 0.00 0.00 43.02 40.30 3g0f s PHE 689 CO 0.04 -0.85 0.00 -0.11 -0.00 0.00 0.00 175.22 174.30 3g0f n LEU 764 N 4.78 0.00 0.00 6.12 0.00 -1.26 -5.02 117.00 121.61 3g0f n LEU 764 Ca -0.09 0.08 -0.09 0.00 0.00 0.00 0.00 56.01 55.91 3g0f n LEU 764 Cb 0.43 -0.25 -0.03 0.00 0.00 0.00 0.00 43.42 43.57 3g0f n LEU 764 CO 0.34 0.00 -0.05 -0.90 0.00 0.00 0.00 177.39 176.78 3g0f n ASP 765 N -0.04 0.40 -0.30 1.96 3.85 -1.26 -5.05 116.55 116.10 3g0f n ASP 765 Ca 0.00 -1.88 0.06 0.00 -0.71 0.00 0.00 54.79 52.26 3g0f n ASP 765 Cb 0.00 0.55 0.27 0.00 -1.35 0.00 0.00 41.12 40.59 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 0.85 -0.99 -2.12 5.85 -1.98 -2.32 115.31 114.59 3g0f h LEU 766 Ca -0.11 0.02 -0.09 0.00 0.84 0.00 0.00 57.88 58.53 3g0f h LEU 766 Cb 0.49 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 3g0f h LEU 766 CO 0.17 0.51 -0.30 -0.33 -0.34 0.00 0.00 178.44 178.15 3g0f h GLU 767 N 0.94 0.36 -0.33 1.25 4.39 -2.00 -1.38 114.58 117.82 3g0f h GLU 767 Ca 0.42 -0.14 -0.05 0.00 0.34 0.00 0.00 59.36 59.92 3g0f h GLU 767 Cb 0.36 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.97 3g0f h GLU 767 CO -0.18 0.63 -0.02 -0.44 -1.16 0.00 0.00 179.01 177.84 3g0f h ASP 768 N 0.32 0.48 0.04 1.42 3.32 -1.83 -1.80 116.42 118.37 3g0f h ASP 768 Ca 0.04 -0.10 -0.18 0.00 0.02 0.00 0.00 57.03 56.82 3g0f h ASP 768 Cb 0.69 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 40.11 3g0f h ASP 768 CO 0.05 0.57 -0.62 -0.07 -1.72 0.00 0.00 179.24 177.45 3g0f h LEU 769 N 0.49 0.65 -0.72 1.55 3.38 -1.23 -0.98 115.31 118.45 3g0f h LEU 769 Ca 0.10 -0.37 -0.02 0.00 0.09 0.00 0.00 57.88 57.68 3g0f h LEU 769 Cb 0.35 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 3g0f h LEU 769 CO 0.01 1.11 0.38 -0.07 0.09 0.00 0.00 178.44 179.96 3g0f h LEU 770 N 0.42 0.91 -0.73 1.67 3.38 -1.16 -2.67 115.31 117.13 3g0f h LEU 770 Ca -0.01 -0.11 -0.04 0.00 0.09 0.00 0.00 57.88 57.81 3g0f h LEU 770 Cb 1.19 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.67 3g0f h LEU 770 CO 0.12 0.76 0.30 -1.28 0.09 0.00 0.00 178.44 178.43 3g0f h SER 771 N 1.00 1.01 -0.19 -0.43 0.87 -1.07 -2.27 113.55 112.48 3g0f h SER 771 Ca 0.25 -0.17 -0.11 0.00 -1.23 0.00 0.00 61.79 60.53 3g0f h SER 771 Cb 0.06 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 61.75 3g0f h SER 771 CO -0.04 0.90 -0.25 -0.26 -0.53 0.00 0.00 176.83 176.65 3g0f h PHE 772 N 1.05 0.74 0.00 2.24 0.05 -0.98 -1.47 116.94 118.57 3g0f h PHE 772 Ca 0.24 -0.17 -0.19 0.00 3.82 0.00 0.00 57.97 61.68 3g0f h PHE 772 Cb 0.21 -0.18 -0.02 0.00 2.00 0.00 0.00 35.95 37.96 3g0f h PHE 772 CO 0.02 0.84 -0.85 0.66 -0.18 0.00 0.00 178.31 178.80 3g0f h SER 773 N 0.57 0.17 -0.28 2.17 4.64 -1.32 -0.17 113.55 119.32 3g0f h SER 773 Ca 0.08 -0.13 -0.05 0.00 -0.47 0.00 0.00 61.79 61.21 3g0f h SER 773 Cb 0.73 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.76 3g0f h SER 773 CO 0.06 0.94 -0.02 0.22 -0.87 0.00 0.00 176.83 177.15 3g0f h TYR 774 N 0.07 0.56 -0.42 4.77 -0.00 -1.29 -1.57 116.97 119.10 3g0f h TYR 774 Ca -0.03 -0.11 -0.13 0.00 -0.00 0.00 0.00 58.73 58.47 3g0f h TYR 774 Cb 1.47 -0.14 -0.01 0.00 -0.00 0.00 0.00 36.73 38.05 3g0f h TYR 774 CO 0.02 0.67 -0.24 1.96 -0.00 0.00 0.00 178.16 180.57 3g0f h GLN 775 N 0.28 0.86 -0.31 1.82 4.20 -1.12 -1.00 115.11 119.84 3g0f h GLN 775 Ca 0.08 -0.37 -0.13 0.00 0.06 0.00 0.00 58.65 58.29 3g0f h GLN 775 Cb 0.47 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.21 3g0f h GLN 775 CO 0.02 1.01 -0.34 0.28 -0.67 0.00 0.00 178.83 179.13 3g0f h VAL 776 N 0.74 1.28 -0.51 -0.54 2.07 -1.04 -1.58 116.25 116.67 3g0f h VAL 776 Ca 0.10 -1.48 0.01 0.00 0.82 0.00 0.00 66.70 66.14 3g0f h VAL 776 Cb 0.79 1.41 -0.03 0.00 -1.52 0.00 0.00 31.29 31.93 3g0f h VAL 776 CO 0.07 0.48 0.33 0.00 0.02 0.00 0.00 177.57 178.46 3g0f h ALA 777 N 1.04 0.66 -0.68 1.67 0.00 -1.00 -0.45 119.26 120.50 3g0f h ALA 777 Ca 0.06 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 3g0f h ALA 777 Cb 0.86 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 3g0f h ALA 777 CO 0.07 0.06 0.32 0.87 0.00 0.00 0.00 179.25 180.57 3g0f h LYS 778 N 0.66 0.98 -0.57 0.00 1.57 -0.94 0.15 116.57 118.42 3g0f h LYS 778 Ca 0.20 -0.15 -0.07 0.00 -1.87 0.00 0.00 60.65 58.76 3g0f h LYS 778 Cb -0.04 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.07 3g0f h LYS 778 CO -0.06 0.78 0.09 0.78 -0.57 0.00 0.00 179.45 180.47 3g0f h GLY 779 N 0.94 0.98 1.31 3.86 0.00 -0.95 -0.25 103.07 108.97 3g0f h GLY 779 Ca 0.23 -0.62 -0.14 0.00 0.00 0.00 0.00 47.33 46.81 3g0f h GLY 779 CO -0.03 0.57 -0.35 -0.33 0.00 0.00 0.00 176.54 176.41 3g0f h MET 780 N 0.87 0.77 -0.97 4.80 2.86 -0.69 -2.15 114.93 120.42 3g0f h MET 780 Ca 0.18 -0.37 0.00 0.00 -2.06 0.00 0.00 59.70 57.45 3g0f h MET 780 Cb 0.38 -0.00 -0.05 0.00 0.06 0.00 0.00 31.60 31.99 3g0f h MET 780 CO 0.01 1.00 0.62 0.00 1.06 0.00 0.00 176.91 179.60 3g0f h ALA 781 N 0.97 1.23 0.11 6.32 0.00 -0.11 -0.22 119.26 127.55 3g0f h ALA 781 Ca 0.06 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3g0f h ALA 781 Cb 0.89 -0.39 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3g0f h ALA 781 CO 0.08 0.64 -0.05 0.35 0.00 0.00 0.00 179.25 180.27 3g0f h PHE 782 N 1.32 -0.13 -0.89 0.00 3.57 -0.95 -0.44 116.94 119.41 3g0f h PHE 782 Ca 0.35 -0.00 0.13 0.00 3.53 0.00 0.00 57.97 61.98 3g0f h PHE 782 Cb -0.12 0.04 -0.09 0.00 2.79 0.00 0.00 35.95 38.58 3g0f h PHE 782 CO 0.00 0.08 0.50 -0.07 -2.23 0.00 0.00 178.31 176.59 3g0f h LEU 783 N -0.33 0.68 -0.65 0.59 3.38 -1.10 -1.56 115.31 116.32 3g0f h LEU 783 Ca -0.01 0.07 -0.14 0.00 0.09 0.00 0.00 57.88 57.88 3g0f h LEU 783 Cb 0.27 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 3g0f h LEU 783 CO 0.02 0.33 -0.52 0.00 0.09 0.00 0.00 178.44 178.37 3g0f h ALA 784 N 1.53 0.84 0.00 1.53 0.00 -0.88 0.45 119.26 122.73 3g0f h ALA 784 Ca 0.46 -0.49 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3g0f h ALA 784 Cb 0.55 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 3g0f h ALA 784 CO -0.31 0.68 -0.05 0.66 0.00 0.00 0.00 179.25 180.23 3g0f h SER 785 N 0.32 0.00 -0.58 0.00 4.64 -0.12 -0.40 113.55 117.41 3g0f h SER 785 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 3g0f h SER 785 Cb 1.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.11 3g0f h SER 785 CO 0.09 0.05 0.00 0.29 -0.87 0.00 0.00 176.83 176.39 3g0f n LYS 786 N -3.22 3.32 -1.26 4.77 4.76 -0.79 -4.92 118.16 120.83 3g0f n LYS 786 Ca -0.01 -2.49 -0.09 0.00 -2.87 0.00 0.00 58.31 52.86 3g0f n LYS 786 Cb 0.26 -1.79 -0.04 0.00 -1.84 0.00 0.00 35.03 31.62 3g0f n LYS 786 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 3g0f n ASN 787 N 1.00 -4.46 -4.87 4.39 5.15 -0.16 -4.99 115.26 111.33 3g0f n ASN 787 Ca 0.23 0.22 -0.36 0.00 -0.60 0.00 0.00 54.58 54.07 3g0f n ASN 787 Cb 0.78 -2.74 -0.06 0.00 -0.53 0.00 0.00 39.78 37.22 3g0f n ASN 787 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3g0f s ILE 789 N -1.09 3.42 -0.31 0.00 -1.09 -1.26 -3.50 121.20 117.37 3g0f s ILE 789 Ca 0.18 -0.78 -0.10 0.00 -2.23 0.00 0.00 60.65 57.71 3g0f s ILE 789 Cb -0.12 -2.44 -0.02 0.00 -1.58 0.00 0.00 42.46 38.30 3g0f s ILE 789 CO 0.07 0.45 0.16 -2.28 -1.23 0.00 0.00 174.94 172.12 3g0f s HIS 790 N -0.91 3.18 -0.83 3.97 5.65 -1.26 -4.98 115.29 120.12 3g0f s HIS 790 Ca 0.15 -0.42 0.09 0.00 0.25 0.00 0.00 55.06 55.13 3g0f s HIS 790 Cb -0.11 -2.37 0.47 0.00 -1.18 0.00 0.00 32.58 29.39 3g0f s HIS 790 CO 0.05 -0.40 1.25 0.54 -0.65 0.00 0.00 174.74 175.53 3g0f n ARG 791 N 5.01 3.07 -2.69 2.88 1.74 -1.26 -4.05 116.66 121.35 3g0f n ARG 791 Ca -0.14 -1.81 -0.08 0.00 -0.77 0.00 0.00 57.85 55.05 3g0f n ARG 791 Cb 0.50 -1.84 0.09 0.00 -1.02 0.00 0.00 32.46 30.19 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 0.45 -0.86 -4.69 0.55 4.64 -1.26 -4.93 116.55 110.44 3g0f n ASP 792 Ca 0.16 -2.58 -0.42 0.00 -1.38 0.00 0.00 54.79 50.57 3g0f n ASP 792 Cb 0.73 0.55 -0.03 0.00 -1.04 0.00 0.00 41.12 41.33 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 -3.14 4.31 -0.27 -2.67 2.96 -1.26 -4.77 118.68 113.84 3g0f s LEU 793 Ca 0.24 1.98 -0.31 0.00 -0.22 0.00 0.00 54.13 55.83 3g0f s LEU 793 Cb 0.41 -3.56 0.18 0.00 0.50 0.00 0.00 46.19 43.72 3g0f s LEU 793 CO -0.05 -0.62 1.34 0.00 -1.32 0.00 0.00 176.35 175.69 3g0f s ALA 794 N 2.08 -2.12 0.54 5.97 0.00 -1.26 -4.81 121.76 122.15 3g0f s ALA 794 Ca 0.60 1.87 0.27 0.00 0.00 0.00 0.00 51.96 54.69 3g0f s ALA 794 Cb -0.29 -1.29 1.42 0.00 0.00 0.00 0.00 23.12 22.97 3g0f s ALA 794 CO 0.25 -0.29 1.98 0.00 0.00 0.00 0.00 175.76 177.69 3g0f h ALA 795 N 2.07 2.52 0.00 0.00 0.00 -1.92 0.83 119.26 122.76 3g0f h ALA 795 Ca -0.08 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3g0f h ALA 795 Cb 1.18 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3g0f h ALA 795 CO 0.22 -0.72 0.00 2.89 0.00 0.00 0.00 179.25 181.64 3g0f n ARG 796 N -4.30 0.06 -0.39 0.00 1.85 -1.26 -2.04 116.66 110.57 3g0f n ARG 796 Ca 0.11 0.29 0.08 0.00 -1.00 0.00 0.00 57.85 57.33 3g0f n ARG 796 Cb 0.66 -1.61 0.24 0.00 -1.05 0.00 0.00 32.46 30.69 3g0f n ARG 796 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 3g0f n ASN 797 N -1.73 3.71 -4.59 2.89 5.03 0.28 -4.83 115.26 116.02 3g0f n ASN 797 Ca 0.03 -2.78 -0.34 0.00 0.87 0.00 0.00 54.58 52.36 3g0f n ASN 797 Cb 0.20 -0.48 -0.10 0.00 -1.02 0.00 0.00 39.78 38.38 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 -2.41 4.51 0.20 2.41 -1.09 -0.87 -1.68 121.20 122.28 3g0f s ILE 798 Ca 0.38 -0.13 0.06 0.00 -2.23 0.00 0.00 60.65 58.73 3g0f s ILE 798 Cb 0.29 -3.02 -0.04 0.00 -1.58 0.00 0.00 42.46 38.12 3g0f s ILE 798 CO 0.11 0.47 0.12 -0.76 -1.23 0.00 0.00 174.94 173.64 3g0f s LEU 799 N 0.36 3.66 -0.08 2.97 1.43 -0.01 0.15 118.68 127.15 3g0f s LEU 799 Ca 0.01 -0.26 0.04 0.00 -1.03 0.00 0.00 54.13 52.88 3g0f s LEU 799 Cb -0.13 -2.25 -0.01 0.00 0.03 0.00 0.00 46.19 43.83 3g0f s LEU 799 CO 0.01 0.03 -0.20 -0.22 0.23 0.00 0.00 176.35 176.21 3g0f s LEU 800 N -3.36 2.37 0.00 1.79 1.98 0.61 -1.06 118.68 121.02 3g0f s LEU 800 Ca 0.31 -0.42 0.00 0.00 -2.89 0.00 0.00 54.13 51.13 3g0f s LEU 800 Cb -0.09 -1.48 0.00 0.00 0.66 0.00 0.00 46.19 45.29 3g0f s LEU 800 CO 0.23 0.23 0.00 1.07 -1.89 0.00 0.00 176.35 175.98 3g0f n THR 801 N 3.10 0.00 -1.19 3.68 5.66 -0.69 -1.41 114.28 123.43 3g0f n THR 801 Ca -0.18 0.00 -0.29 0.00 -3.05 0.00 0.00 64.05 60.53 3g0f n THR 801 Cb 0.52 0.00 0.20 0.00 -1.55 0.00 0.00 70.33 69.50 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 -0.75 1.49 -0.37 1.09 3.76 -1.26 -3.62 115.29 115.63 3g0f s HIS 802 Ca 0.00 0.75 0.00 0.00 -0.15 0.00 0.00 55.06 55.66 3g0f s HIS 802 Cb 0.00 -3.38 0.00 0.00 1.11 0.00 0.00 32.58 30.31 3g0f s HIS 802 CO 0.00 -3.25 0.00 0.41 -0.85 0.00 0.00 174.74 171.05 3g0f n GLY 803 N -1.22 0.47 2.56 -2.22 0.00 -1.26 -1.07 105.19 102.44 3g0f n GLY 803 Ca 0.09 -0.08 -0.18 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.73 -2.74 -3.23 1.61 5.12 -1.24 -4.99 116.66 110.45 3g0f n ARG 804 Ca -0.03 0.79 -0.39 0.00 -1.93 0.00 0.00 57.85 56.29 3g0f n ARG 804 Cb 0.38 -5.28 -0.06 0.00 -1.16 0.00 0.00 32.46 26.35 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 -2.96 5.00 0.09 0.55 -1.09 -0.24 -4.98 121.20 117.57 3g0f s ILE 805 Ca 0.13 1.17 0.03 0.00 -2.23 0.00 0.00 60.65 59.75 3g0f s ILE 805 Cb -0.06 -3.90 -0.04 0.00 -1.58 0.00 0.00 42.46 36.88 3g0f s ILE 805 CO 0.16 0.39 0.11 0.42 -1.23 0.00 0.00 174.94 174.79 3g0f s THR 806 N 0.06 4.68 -0.03 2.92 -4.23 -1.26 -1.70 115.64 116.07 3g0f s THR 806 Ca 0.30 -0.75 -0.00 0.00 -1.18 0.00 0.00 61.69 60.05 3g0f s THR 806 Cb -0.17 -3.28 0.03 0.00 1.34 0.00 0.00 72.50 70.41 3g0f s THR 806 CO 0.15 0.09 0.03 -0.54 -0.54 0.00 0.00 174.62 173.81 3g0f s LYS 807 N -2.54 0.10 0.48 3.99 1.02 -0.22 -4.45 119.74 118.12 3g0f s LYS 807 Ca 0.31 0.19 -0.21 0.00 0.02 0.00 0.00 55.97 56.27 3g0f s LYS 807 Cb -0.12 -0.42 -0.07 0.00 -0.52 0.00 0.00 37.83 36.70 3g0f s LYS 807 CO 0.23 -0.20 1.10 0.42 -0.92 0.00 0.00 175.35 175.98 3g0f s ILE 808 N 1.33 3.41 0.00 2.17 1.01 0.39 -0.83 121.20 128.68 3g0f s ILE 808 Ca -0.06 0.96 -0.03 0.00 0.00 0.00 0.00 60.65 61.52 3g0f s ILE 808 Cb -0.13 -3.43 -0.01 0.00 0.01 0.00 0.00 42.46 38.90 3g0f s ILE 808 CO -0.03 -0.11 0.05 0.00 0.00 0.00 0.00 174.94 174.85 3g0f s ASP 810 N -0.99 5.92 0.00 0.00 3.68 -1.26 -4.86 116.67 119.15 3g0f s ASP 810 Ca -0.11 -0.26 0.24 0.00 2.13 0.00 0.00 52.55 54.56 3g0f s ASP 810 Cb -0.06 -2.10 0.37 0.00 -1.45 0.00 0.00 42.92 39.68 3g0f s ASP 810 CO 0.00 -0.14 1.36 0.49 0.13 0.00 0.00 175.17 177.01 3g0f n PHE 811 N 5.06 0.14 -1.30 -5.34 3.01 -1.26 -5.01 117.46 112.75 3g0f n PHE 811 Ca -0.14 -0.07 -0.50 0.00 1.01 0.00 0.00 57.45 57.75 3g0f n PHE 811 Cb 0.51 0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 39.91 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 1.36 -0.49 4.17 1.37 0.00 -1.26 -0.76 105.19 109.58 3g0f n GLY 812 Ca 0.16 0.60 0.00 0.00 0.00 0.00 0.00 46.02 46.78 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 1.40 0.00 -1.85 0.99 4.32 -1.26 -4.75 117.00 115.85 3g0f n LEU 813 Ca 0.17 0.00 -0.09 0.00 -0.02 0.00 0.00 56.01 56.07 3g0f n LEU 813 Cb 0.10 0.00 0.23 0.00 -1.62 0.00 0.00 43.42 42.13 3g0f n LEU 813 CO 0.53 0.00 0.98 0.00 -1.22 0.00 0.00 177.39 177.68 3g0f n ALA 814 N 0.05 4.45 -3.46 -1.18 0.00 0.06 -2.32 120.51 118.10 3g0f n ALA 814 Ca 0.00 -2.03 -0.13 0.00 0.00 0.00 0.00 53.44 51.28 3g0f n ALA 814 Cb 0.00 -1.26 -0.13 0.00 0.00 0.00 0.00 19.45 18.07 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 -2.59 0.22 -0.31 0.00 3.52 -1.24 -2.24 118.95 116.30 3g0f s ARG 815 Ca 0.46 0.43 -0.13 0.00 -0.13 0.00 0.00 55.73 56.36 3g0f s ARG 815 Cb 0.37 -0.02 -0.03 0.00 -1.56 0.00 0.00 34.95 33.71 3g0f s ARG 815 CO 0.11 -0.11 0.25 -1.58 -0.81 0.00 0.00 175.30 173.16 3g0f s HIS 816 N 0.77 3.22 -0.18 5.12 5.65 -1.20 -4.40 115.29 124.27 3g0f s HIS 816 Ca -0.05 0.00 0.22 0.00 0.25 0.00 0.00 55.06 55.48 3g0f s HIS 816 Cb -0.07 -2.48 -0.22 0.00 -1.18 0.00 0.00 32.58 28.63 3g0f s HIS 816 CO -0.05 -0.28 0.69 0.44 -0.65 0.00 0.00 174.74 174.89 3g0f n ILE 817 N 5.11 0.16 0.34 0.89 -5.35 -1.26 -3.50 119.36 115.75 3g0f n ILE 817 Ca -0.12 -0.46 0.14 0.00 -0.27 0.00 0.00 62.75 62.03 3g0f n ILE 817 Cb 0.51 -0.01 0.59 0.00 -1.74 0.00 0.00 39.64 38.98 3g0f n ILE 817 CO 0.00 0.00 0.00 0.11 -1.76 0.00 0.00 176.55 174.90 3g0f h LYS 818 N 0.00 0.00 0.00 6.28 1.57 -1.92 -2.63 116.57 119.87 3g0f h LYS 818 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3g0f h LYS 818 Cb 0.95 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.26 3g0f h LYS 818 CO 0.00 0.00 -0.99 0.09 -0.57 0.00 0.00 179.45 177.98 3g0f n ASN 819 N -2.51 0.63 -4.43 0.86 3.02 -1.23 -4.89 115.26 106.71 3g0f n ASN 819 Ca 0.01 -0.29 -0.36 0.00 -0.03 0.00 0.00 54.58 53.91 3g0f n ASN 819 Cb 0.23 0.79 -0.13 0.00 -0.61 0.00 0.00 39.78 40.06 3g0f n ASN 819 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3g0f s ASP 820 N -3.75 4.96 0.00 6.41 -1.08 -0.99 -4.98 116.67 117.24 3g0f s ASP 820 Ca 0.05 -0.23 0.18 0.00 -0.52 0.00 0.00 52.55 52.03 3g0f s ASP 820 Cb 0.15 -1.88 0.85 0.00 -1.46 0.00 0.00 42.92 40.58 3g0f s ASP 820 CO 0.80 -0.01 1.56 -1.54 0.52 0.00 0.00 175.17 176.50 3g0f n SER 821 N 4.75 0.00 0.23 -0.34 3.41 -1.26 -1.80 113.62 118.60 3g0f n SER 821 Ca -0.17 0.23 0.14 0.00 -0.26 0.00 0.00 58.87 58.82 3g0f n SER 821 Cb 0.51 -0.38 0.43 0.00 -0.26 0.00 0.00 64.21 64.52 3g0f n SER 821 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 3g0f h ASN 822 N 0.00 0.00 -3.31 4.04 -0.26 -1.93 -3.41 115.58 110.70 3g0f h ASN 822 Ca 0.00 0.00 -0.62 0.00 -0.56 0.00 0.00 56.30 55.12 3g0f h ASN 822 Cb 0.23 0.00 -0.18 0.00 -1.06 0.00 0.00 38.32 37.31 3g0f h ASN 822 CO 0.00 0.00 -0.59 -0.31 -1.06 0.00 0.00 177.43 175.47 3g0f s TYR 823 N -3.40 3.19 0.01 1.19 1.51 -0.75 -4.17 117.35 114.93 3g0f s TYR 823 Ca 0.05 -0.04 0.01 0.00 -1.01 0.00 0.00 57.07 56.07 3g0f s TYR 823 Cb 0.08 -2.06 -0.01 0.00 -0.11 0.00 0.00 41.96 39.86 3g0f s TYR 823 CO 0.59 0.08 -0.04 0.54 -1.11 0.00 0.00 175.55 175.61 3g0f s VAL 824 N 0.43 0.26 0.13 0.71 0.11 0.32 -4.81 120.40 117.56 3g0f s VAL 824 Ca 0.01 -0.49 -0.31 0.00 -2.93 0.00 0.00 61.98 58.26 3g0f s VAL 824 Cb -0.13 -0.29 -0.09 0.00 -1.53 0.00 0.00 36.38 34.34 3g0f s VAL 824 CO 0.01 -0.16 1.55 -0.69 -3.33 0.00 0.00 175.10 172.48 3g0f s VAL 825 N -0.65 2.84 -0.11 2.04 1.01 -1.26 -1.20 120.40 123.06 3g0f s VAL 825 Ca -0.05 0.55 -0.05 0.00 0.00 0.00 0.00 61.98 62.43 3g0f s VAL 825 Cb -0.05 -3.35 0.05 0.00 0.00 0.00 0.00 36.38 33.03 3g0f s VAL 825 CO -0.00 0.03 0.24 -0.75 0.00 0.00 0.00 175.10 174.62 3g0f s LYS 826 N 1.44 0.16 6.68 2.72 2.20 -0.23 -4.93 119.74 127.77 3g0f s LYS 826 Ca 0.70 0.62 0.00 0.00 -0.36 0.00 0.00 55.97 56.93 3g0f s LYS 826 Cb -0.42 -0.10 0.00 0.00 -1.51 0.00 0.00 37.83 35.80 3g0f s LYS 826 CO 0.31 -0.23 0.00 0.41 -0.36 0.00 0.00 175.35 175.48 3g0f n GLY 827 N 4.83 3.13 0.12 5.54 0.00 -1.26 -2.56 105.19 114.99 3g0f n GLY 827 Ca -0.15 -0.29 -0.07 0.00 0.00 0.00 0.00 46.02 45.52 3g0f n GLY 827 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3g0f h ASN 828 N 6.15 0.16 -3.25 1.61 2.35 -2.01 -3.47 115.58 117.11 3g0f h ASN 828 Ca 0.00 -0.13 -0.50 0.00 -0.55 0.00 0.00 56.30 55.12 3g0f h ASN 828 Cb 0.00 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.32 3g0f h ASN 828 CO 0.00 0.91 -0.07 0.00 -1.65 0.00 0.00 177.43 176.62 3g0f s ALA 829 N -3.25 3.56 -0.37 -0.83 0.00 -1.06 -5.07 121.76 114.74 3g0f s ALA 829 Ca -0.02 -0.57 -0.18 0.00 0.00 0.00 0.00 51.96 51.19 3g0f s ALA 829 Cb 0.11 -2.37 0.00 0.00 0.00 0.00 0.00 23.12 20.86 3g0f s ALA 829 CO 0.81 0.06 0.49 1.03 0.00 0.00 0.00 175.76 178.14 3g0f s ARG 830 N -3.94 3.51 0.26 0.00 0.52 -1.26 -1.07 118.95 116.96 3g0f s ARG 830 Ca 0.45 -0.31 0.12 0.00 -0.52 0.00 0.00 55.73 55.46 3g0f s ARG 830 Cb -0.10 -3.84 -0.05 0.00 0.52 0.00 0.00 34.95 31.48 3g0f s ARG 830 CO 0.34 -0.68 -0.19 -0.51 0.02 0.00 0.00 175.30 174.28 3g0f s LEU 831 N 2.33 2.63 -1.35 2.53 1.43 -0.34 -4.71 118.68 121.20 3g0f s LEU 831 Ca 0.17 -0.95 -0.11 0.00 -1.03 0.00 0.00 54.13 52.21 3g0f s LEU 831 Cb -0.16 -1.19 0.12 0.00 0.03 0.00 0.00 46.19 44.99 3g0f s LEU 831 CO 0.14 0.05 2.05 -0.81 0.23 0.00 0.00 176.35 178.01 3g0f n PRO 832 N -0.47 3.43 0.23 1.29 -0.04 -1.26 -0.52 135.00 137.66 3g0f n PRO 832 Ca -0.07 -3.18 0.09 0.00 -0.04 0.00 0.00 63.50 60.30 3g0f n PRO 832 Cb 0.59 -3.02 0.57 0.00 -0.04 0.00 0.00 33.50 31.60 3g0f n PRO 832 CO 0.00 0.00 0.00 -0.39 -0.04 0.00 0.00 175.50 175.07 3g0f h VAL 833 N 3.74 0.74 0.00 0.52 -1.51 -1.88 -1.18 116.25 116.68 3g0f h VAL 833 Ca 0.48 -0.85 0.00 0.00 -1.23 0.00 0.00 66.70 65.10 3g0f h VAL 833 Cb 0.60 1.53 0.00 0.00 -2.13 0.00 0.00 31.29 31.29 3g0f h VAL 833 CO 1.71 0.20 0.00 0.11 -1.23 0.00 0.00 177.57 178.36 3g0f h LYS 834 N 0.00 0.00 -0.23 5.19 1.57 -1.88 -1.96 116.57 119.26 3g0f h LYS 834 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3g0f h LYS 834 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.82 3g0f h LYS 834 CO 0.03 0.00 0.00 0.91 -0.57 0.00 0.00 179.45 179.82 3g0f n TRP 835 N -2.32 0.28 -4.16 -1.35 8.01 -0.45 -4.98 117.44 112.47 3g0f n TRP 835 Ca 0.03 -0.14 -0.35 0.00 -1.31 0.00 0.00 57.50 55.73 3g0f n TRP 835 Cb 0.27 0.00 -0.08 0.00 -2.01 0.00 0.00 31.31 29.49 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 -1.72 3.13 0.41 -0.99 -1.94 -0.74 -3.78 119.30 113.67 3g0f s MET 836 Ca 0.35 -0.36 -0.25 0.00 -1.71 0.00 0.00 55.69 53.71 3g0f s MET 836 Cb 0.21 -2.92 -0.08 0.00 2.01 0.00 0.00 34.83 34.05 3g0f s MET 836 CO 0.30 0.71 1.25 0.00 -0.01 0.00 0.00 175.02 177.28 3g0f s ALA 837 N -1.02 3.19 0.23 3.03 0.00 -1.26 -4.86 121.76 121.07 3g0f s ALA 837 Ca 0.17 1.14 -0.07 0.00 0.00 0.00 0.00 51.96 53.20 3g0f s ALA 837 Cb -0.12 -3.45 0.34 0.00 0.00 0.00 0.00 23.12 19.89 3g0f s ALA 837 CO 0.06 -0.75 1.78 -1.00 0.00 0.00 0.00 175.76 175.85 3g0f h PRO 838 N 2.58 0.57 -0.01 0.00 0.13 -1.95 0.31 132.00 133.63 3g0f h PRO 838 Ca -0.49 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.61 3g0f h PRO 838 Cb 1.25 -0.13 -0.00 0.00 0.13 0.00 0.00 31.00 32.25 3g0f h PRO 838 CO 0.62 0.38 0.05 1.05 -0.23 0.00 0.00 178.00 179.87 3g0f h GLU 839 N 0.59 0.00 0.13 0.86 9.09 -1.92 0.18 114.58 123.51 3g0f h GLU 839 Ca 0.35 0.00 -0.28 0.00 0.05 0.00 0.00 59.36 59.48 3g0f h GLU 839 Cb 0.38 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.48 3g0f h GLU 839 CO -0.28 0.00 -1.32 0.77 0.05 0.00 0.00 179.01 178.23 3g0f h SER 840 N 0.00 0.42 0.07 3.06 0.02 -0.48 -2.21 113.55 114.43 3g0f h SER 840 Ca 0.01 -0.48 -0.15 0.00 -0.84 0.00 0.00 61.79 60.33 3g0f h SER 840 Cb 0.10 -0.14 0.02 0.00 0.14 0.00 0.00 62.40 62.51 3g0f h SER 840 CO -0.00 1.38 -0.62 0.40 -1.14 0.00 0.00 176.83 176.85 3g0f h ILE 841 N 0.07 1.51 0.09 3.27 2.04 0.21 -2.89 117.51 121.82 3g0f h ILE 841 Ca -0.16 -2.31 -0.34 0.00 1.00 0.00 0.00 64.86 63.04 3g0f h ILE 841 Cb 1.99 2.98 -0.03 0.00 -0.74 0.00 0.00 36.82 41.02 3g0f h ILE 841 CO 0.20 0.65 -1.89 0.49 0.00 0.00 0.00 178.15 177.60 3g0f n PHE 842 N -4.24 1.21 0.12 1.37 3.72 0.27 -4.44 117.46 115.48 3g0f n PHE 842 Ca -0.12 0.31 0.04 0.00 -0.05 0.00 0.00 57.45 57.62 3g0f n PHE 842 Cb 0.71 -1.18 0.07 0.00 -0.94 0.00 0.00 39.48 38.14 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 -3.35 2.12 -3.42 4.37 3.02 -1.08 -4.99 115.26 111.92 3g0f n ASN 843 Ca -0.27 -1.64 -0.25 0.00 -0.03 0.00 0.00 54.58 52.39 3g0f n ASN 843 Cb 1.05 -0.08 0.02 0.00 -0.61 0.00 0.00 39.78 40.16 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 -3.11 4.26 -0.69 0.00 1.01 -0.86 -4.97 120.40 116.04 3g0f s VAL 845 Ca 0.45 -0.32 -0.08 0.00 0.00 0.00 0.00 61.98 62.03 3g0f s VAL 845 Cb -0.22 -3.06 0.18 0.00 0.00 0.00 0.00 36.38 33.27 3g0f s VAL 845 CO 0.56 0.25 0.56 -0.31 0.00 0.00 0.00 175.10 176.16 3g0f s TYR 846 N 1.59 3.55 0.31 5.22 1.51 -1.26 -3.57 117.35 124.69 3g0f s TYR 846 Ca 0.05 -2.33 0.03 0.00 -1.01 0.00 0.00 57.07 53.81 3g0f s TYR 846 Cb -0.16 -3.48 0.06 0.00 -0.11 0.00 0.00 41.96 38.27 3g0f s TYR 846 CO 0.04 -0.92 0.43 0.25 -1.11 0.00 0.00 175.55 174.24 3g0f n THR 847 N 3.84 0.00 0.16 -0.71 -2.24 -1.26 -4.96 114.28 109.11 3g0f n THR 847 Ca 0.08 -0.88 0.02 0.00 -2.27 0.00 0.00 64.05 61.00 3g0f n THR 847 Cb 0.42 -0.90 0.26 0.00 -2.10 0.00 0.00 70.33 68.01 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 -0.14 0.00 0.00 4.78 -1.00 -1.97 -2.93 116.94 115.68 3g0f h PHE 848 Ca -0.14 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.64 3g0f h PHE 848 Cb 0.61 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.17 3g0f h PHE 848 CO 0.00 0.50 -0.05 0.93 -1.61 0.00 0.00 178.31 178.07 3g0f h GLU 849 N 0.00 0.00 -0.91 1.51 4.39 -1.94 -3.04 114.58 114.59 3g0f h GLU 849 Ca -0.00 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.68 3g0f h GLU 849 Cb 0.96 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.57 3g0f h GLU 849 CO 0.06 0.00 0.51 0.77 -1.16 0.00 0.00 179.01 179.20 3g0f h SER 850 N 0.00 1.13 -0.28 1.42 0.02 -1.87 -2.37 113.55 111.59 3g0f h SER 850 Ca 0.00 -0.09 -0.07 0.00 -0.84 0.00 0.00 61.79 60.79 3g0f h SER 850 Cb 0.89 -0.29 -0.02 0.00 0.14 0.00 0.00 62.40 63.12 3g0f h SER 850 CO 0.00 0.89 -0.04 0.44 -1.14 0.00 0.00 176.83 176.98 3g0f h ASP 851 N 1.27 0.62 -0.02 3.07 3.32 -1.58 -2.86 116.42 120.24 3g0f h ASP 851 Ca 0.32 -0.15 -0.08 0.00 0.02 0.00 0.00 57.03 57.14 3g0f h ASP 851 Cb 0.00 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.38 3g0f h ASP 851 CO -0.05 0.72 -0.22 0.58 -1.72 0.00 0.00 179.24 178.54 3g0f h VAL 852 N 0.61 1.25 -0.12 -1.35 2.07 -1.43 -0.67 116.25 116.60 3g0f h VAL 852 Ca 0.12 -1.17 0.00 0.00 0.82 0.00 0.00 66.70 66.47 3g0f h VAL 852 Cb 0.44 1.32 -0.01 0.00 -1.52 0.00 0.00 31.29 31.53 3g0f h VAL 852 CO 0.02 0.37 0.08 -0.25 0.02 0.00 0.00 177.57 177.81 3g0f h TRP 853 N 0.37 0.16 -0.34 1.57 2.91 -1.25 -1.86 115.95 117.51 3g0f h TRP 853 Ca 0.06 0.00 -0.04 0.00 1.13 0.00 0.00 58.89 60.04 3g0f h TRP 853 Cb 0.60 -0.05 -0.02 0.00 -0.51 0.00 0.00 29.16 29.18 3g0f h TRP 853 CO 0.02 0.11 0.04 0.77 -1.03 0.00 0.00 178.44 178.35 3g0f h SER 854 N 0.16 0.47 -0.54 2.65 0.02 -1.27 -0.61 113.55 114.43 3g0f h SER 854 Ca 0.05 -0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 60.91 3g0f h SER 854 Cb -0.01 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 62.38 3g0f h SER 854 CO -0.01 0.52 0.31 0.22 -1.14 0.00 0.00 176.83 176.72 3g0f h TYR 855 N 0.50 0.73 -0.42 3.45 3.20 -0.87 0.14 116.97 123.70 3g0f h TYR 855 Ca 0.11 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.04 3g0f h TYR 855 Cb 0.26 -0.24 -0.06 0.00 1.54 0.00 0.00 36.73 38.24 3g0f h TYR 855 CO 0.01 0.53 0.09 0.78 -1.64 0.00 0.00 178.16 177.92 3g0f h GLY 856 N 0.73 0.51 1.79 1.82 0.00 -0.31 0.76 103.07 108.37 3g0f h GLY 856 Ca 0.19 -0.03 -0.05 0.00 0.00 0.00 0.00 47.33 47.45 3g0f h GLY 856 CO -0.03 -0.04 -0.12 -2.22 0.00 0.00 0.00 176.54 174.13 3g0f h ILE 857 N 0.22 1.18 -0.51 2.60 1.08 -0.77 -2.28 117.51 119.02 3g0f h ILE 857 Ca 0.21 -0.78 -0.08 0.00 -0.39 0.00 0.00 64.86 63.81 3g0f h ILE 857 Cb 0.25 1.19 -0.02 0.00 -3.07 0.00 0.00 36.82 35.17 3g0f h ILE 857 CO -0.27 0.25 0.00 0.15 -0.69 0.00 0.00 178.15 177.59 3g0f h PHE 858 N 0.25 0.98 -0.49 1.37 3.04 0.46 0.60 116.94 123.16 3g0f h PHE 858 Ca 0.05 -0.17 0.00 0.00 3.98 0.00 0.00 57.97 61.84 3g0f h PHE 858 Cb 0.37 -0.26 -0.02 0.00 2.56 0.00 0.00 35.95 38.60 3g0f h PHE 858 CO 0.01 0.91 0.32 -0.07 -2.02 0.00 0.00 178.31 177.46 3g0f h LEU 859 N 0.77 0.56 -0.02 0.59 3.38 -0.43 0.24 115.31 120.41 3g0f h LEU 859 Ca 0.14 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.11 3g0f h LEU 859 Cb 0.52 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 3g0f h LEU 859 CO 0.03 0.41 -0.03 -0.25 0.09 0.00 0.00 178.44 178.69 3g0f h TRP 860 N 0.66 -0.06 -0.86 1.13 7.01 -1.18 0.69 115.95 123.34 3g0f h TRP 860 Ca 0.18 0.00 0.20 0.00 2.11 0.00 0.00 58.89 61.38 3g0f h TRP 860 Cb -0.07 0.03 -0.12 0.00 -2.10 0.00 0.00 29.16 26.90 3g0f h TRP 860 CO -0.04 -0.04 0.36 1.49 -2.79 0.00 0.00 178.44 177.42 3g0f h GLU 861 N -0.04 0.40 -0.10 2.65 4.81 -0.56 -1.44 114.58 120.30 3g0f h GLU 861 Ca 0.02 -0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 59.12 3g0f h GLU 861 Cb 0.06 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.36 3g0f h GLU 861 CO -0.04 0.26 -0.33 1.25 -0.73 0.00 0.00 179.01 179.43 3g0f h LEU 862 N 0.41 0.46 -0.19 1.64 5.85 0.58 -0.99 115.31 123.07 3g0f h LEU 862 Ca 0.52 -0.61 0.00 0.00 0.84 0.00 0.00 57.88 58.63 3g0f h LEU 862 Cb 0.94 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.83 3g0f h LEU 862 CO -0.50 0.99 -0.14 0.49 -0.34 0.00 0.00 178.44 178.94 3g0f n PHE 863 N -4.40 0.00 1.37 1.25 3.72 0.13 -2.15 117.46 117.39 3g0f n PHE 863 Ca -0.08 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.46 3g0f n PHE 863 Cb 0.50 -0.22 0.45 0.00 -0.94 0.00 0.00 39.48 39.27 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 -1.05 1.72 -3.49 4.37 7.64 -0.56 -3.84 113.62 118.40 3g0f n SER 864 Ca 0.13 -1.60 -0.18 0.00 1.01 0.00 0.00 58.87 58.23 3g0f n SER 864 Cb 0.29 -0.03 0.08 0.00 -1.01 0.00 0.00 64.21 63.54 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 0.34 -3.82 0.00 -3.43 4.77 -0.91 -3.60 117.00 110.35 3g0f n LEU 865 Ca 0.18 -0.65 0.00 0.00 -0.03 0.00 0.00 56.01 55.51 3g0f n LEU 865 Cb 0.38 -3.03 0.00 0.00 -2.33 0.00 0.00 43.42 38.44 3g0f n LEU 865 CO 0.16 0.40 0.00 0.61 -1.33 0.00 0.00 177.39 177.23 3g0f n GLY 866 N -1.26 0.67 3.86 -0.72 0.00 -0.38 -4.38 105.19 102.97 3g0f n GLY 866 Ca -0.27 -0.44 -0.31 0.00 0.00 0.00 0.00 46.02 45.00 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 -2.40 5.99 0.38 1.61 0.01 -1.24 -4.90 113.70 113.15 3g0f s SER 867 Ca 0.00 1.40 -0.25 0.00 1.31 0.00 0.00 55.95 58.41 3g0f s SER 867 Cb 0.00 -2.39 -0.09 0.00 0.21 0.00 0.00 66.02 63.75 3g0f s SER 867 CO 0.00 -1.02 1.08 -0.44 0.41 0.00 0.00 173.24 173.27 3g0f s SER 868 N -4.16 6.79 0.42 2.44 0.01 -1.26 -4.69 113.70 113.25 3g0f s SER 868 Ca 0.56 2.15 -0.26 0.00 1.31 0.00 0.00 55.95 59.71 3g0f s SER 868 Cb -0.11 -2.60 -0.08 0.00 0.21 0.00 0.00 66.02 63.43 3g0f s SER 868 CO 0.54 -0.47 1.30 -2.84 0.41 0.00 0.00 173.24 172.17 3g0f s PRO 869 N -2.27 3.92 -1.18 12.44 0.02 -1.26 -3.30 135.00 143.37 3g0f s PRO 869 Ca 0.55 2.15 -0.30 0.00 0.02 0.00 0.00 61.00 63.42 3g0f s PRO 869 Cb -0.26 -2.72 0.03 0.00 0.02 0.00 0.00 34.50 31.58 3g0f s PRO 869 CO 0.32 -0.53 0.72 0.66 -0.33 0.00 0.00 177.00 177.84 3g0f n TYR 870 N 0.04 -1.56 -1.70 6.54 4.01 -1.26 -4.73 117.16 118.49 3g0f n TYR 870 Ca 0.04 0.20 -0.44 0.00 -0.16 0.00 0.00 57.90 57.54 3g0f n TYR 870 Cb 0.44 -2.99 -0.03 0.00 -0.31 0.00 0.00 39.34 36.45 3g0f n TYR 870 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 3g0f n PRO 871 N -4.75 2.53 0.00 -0.72 -0.04 -1.21 -2.19 135.00 128.62 3g0f n PRO 871 Ca -0.11 0.91 0.00 0.00 -0.04 0.00 0.00 63.50 64.27 3g0f n PRO 871 Cb 0.57 -2.73 0.00 0.00 -0.04 0.00 0.00 33.50 31.31 3g0f n PRO 871 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3g0f n GLY 872 N 3.70 3.12 3.64 0.55 0.00 -1.26 -5.02 105.19 109.92 3g0f n GLY 872 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 3g0f n GLY 872 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3g0f s MET 873 N -0.38 4.13 0.59 1.61 0.00 -0.93 -5.06 119.30 119.26 3g0f s MET 873 Ca 0.00 0.46 -0.16 0.00 0.00 0.00 0.00 55.69 55.98 3g0f s MET 873 Cb 0.00 -3.62 -0.04 0.00 0.00 0.00 0.00 34.83 31.17 3g0f s MET 873 CO 0.00 -0.31 1.07 -1.25 0.00 0.00 0.00 175.02 174.53 3g0f s PRO 874 N 2.16 3.29 -0.17 4.11 0.04 -1.26 -4.98 135.00 138.19 3g0f s PRO 874 Ca 0.24 1.28 -0.28 0.00 0.04 0.00 0.00 61.00 62.29 3g0f s PRO 874 Cb -0.16 -2.02 -0.01 0.00 0.04 0.00 0.00 34.50 32.35 3g0f s PRO 874 CO 0.09 -0.84 0.94 0.08 0.04 0.00 0.00 177.00 177.31 3g0f s VAL 875 N -2.34 4.80 0.01 -0.36 1.01 -1.26 -4.63 120.40 117.62 3g0f s VAL 875 Ca 0.65 1.86 -0.01 0.00 0.00 0.00 0.00 61.98 64.49 3g0f s VAL 875 Cb -0.17 -4.24 0.00 0.00 0.00 0.00 0.00 36.38 31.97 3g0f s VAL 875 CO 0.35 -0.04 0.03 -0.90 0.00 0.00 0.00 175.10 174.54 3g0f n ASP 876 N 5.48 -0.06 -0.26 3.32 5.75 -1.26 -5.00 116.55 124.52 3g0f n ASP 876 Ca 0.08 -1.03 0.06 0.00 -0.01 0.00 0.00 54.79 53.89 3g0f n ASP 876 Cb 0.48 0.09 0.31 0.00 -1.03 0.00 0.00 41.12 40.96 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 0.06 0.78 -0.37 -1.12 0.02 -2.00 -2.20 113.55 108.71 3g0f h SER 877 Ca -0.01 0.01 -0.09 0.00 -0.84 0.00 0.00 61.79 60.86 3g0f h SER 877 Cb 0.04 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.42 3g0f h SER 877 CO 0.01 0.48 -0.13 0.11 -1.14 0.00 0.00 176.83 176.16 3g0f h LYS 878 N 0.87 0.75 0.03 3.45 1.79 -1.96 -2.19 116.57 119.32 3g0f h LYS 878 Ca 0.38 -0.31 0.01 0.00 -2.18 0.00 0.00 60.65 58.55 3g0f h LYS 878 Cb 0.33 -0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 30.93 3g0f h LYS 878 CO -0.15 0.92 -0.09 0.35 -1.08 0.00 0.00 179.45 179.40 3g0f h PHE 879 N 0.55 -0.22 -0.57 -1.35 3.57 -1.67 -0.58 116.94 116.67 3g0f h PHE 879 Ca 0.09 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.61 3g0f h PHE 879 Cb 0.66 0.09 -0.03 0.00 2.79 0.00 0.00 35.95 39.47 3g0f h PHE 879 CO 0.05 -0.13 0.38 1.88 -2.23 0.00 0.00 178.31 178.26 3g0f h TYR 880 N -0.16 0.68 -0.18 0.41 0.99 -1.36 0.40 116.97 117.75 3g0f h TYR 880 Ca 0.02 0.02 -0.06 0.00 2.00 0.00 0.00 58.73 60.71 3g0f h TYR 880 Cb 0.19 -0.23 -0.00 0.00 1.00 0.00 0.00 36.73 37.69 3g0f h TYR 880 CO -0.14 0.41 -0.12 -0.22 -0.00 0.00 0.00 178.16 178.09 3g0f h LYS 881 N 0.72 0.40 -0.44 4.88 3.64 -1.01 -1.12 116.57 123.63 3g0f h LYS 881 Ca 0.22 -0.19 0.03 0.00 -1.27 0.00 0.00 60.65 59.44 3g0f h LYS 881 Cb 0.00 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.78 3g0f h LYS 881 CO -0.05 0.73 0.25 1.98 -2.27 0.00 0.00 179.45 180.08 3g0f h MET 882 N 0.07 0.48 -0.78 1.90 4.05 -0.10 0.20 114.93 120.75 3g0f h MET 882 Ca 0.04 -0.03 -0.01 0.00 -0.28 0.00 0.00 59.70 59.41 3g0f h MET 882 Cb 0.62 -0.11 -0.04 0.00 -0.80 0.00 0.00 31.60 31.28 3g0f h MET 882 CO 0.03 0.32 0.43 0.82 0.23 0.00 0.00 176.91 178.74 3g0f h ILE 883 N 0.50 1.23 -0.57 1.77 1.08 -0.90 -2.30 117.51 118.32 3g0f h ILE 883 Ca 0.18 -0.57 -0.11 0.00 -0.39 0.00 0.00 64.86 63.97 3g0f h ILE 883 Cb 0.04 0.20 -0.02 0.00 -3.07 0.00 0.00 36.82 33.97 3g0f h ILE 883 CO -0.10 0.26 -0.07 0.50 -0.69 0.00 0.00 178.15 178.05 3g0f h LYS 884 N 1.07 1.05 0.00 2.37 3.11 -0.59 -3.02 116.57 120.56 3g0f h LYS 884 Ca 0.27 -0.37 -0.08 0.00 -2.81 0.00 0.00 60.65 57.67 3g0f h LYS 884 Cb 0.03 -0.08 -0.01 0.00 -1.00 0.00 0.00 32.23 31.17 3g0f h LYS 884 CO -0.04 1.07 -0.36 0.93 -2.81 0.00 0.00 179.45 178.23 3g0f h GLU 885 N 0.94 0.00 0.00 1.90 4.39 -0.40 -3.47 114.58 117.94 3g0f h GLU 885 Ca 0.15 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.85 3g0f h GLU 885 Cb 0.64 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.29 3g0f h GLU 885 CO 0.04 0.36 0.00 0.41 -1.16 0.00 0.00 179.01 178.66 3g0f n GLY 886 N -0.22 1.65 3.75 -3.84 0.00 -0.94 -5.10 105.19 100.49 3g0f n GLY 886 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 3g0f n GLY 886 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3g0f s PHE 887 N -2.00 3.56 0.16 1.61 0.08 -0.91 -5.04 117.98 115.44 3g0f s PHE 887 Ca 0.00 1.62 0.06 0.00 0.12 0.00 0.00 56.93 58.74 3g0f s PHE 887 Cb 0.00 -3.30 -0.04 0.00 -0.57 0.00 0.00 43.02 39.10 3g0f s PHE 887 CO 0.00 -0.67 -0.14 1.03 -0.10 0.00 0.00 175.22 175.34 3g0f s ARG 888 N -0.90 1.15 0.74 0.44 1.81 -1.26 -4.64 118.95 116.30 3g0f s ARG 888 Ca 0.47 -1.41 -0.12 0.00 -1.72 0.00 0.00 55.73 52.95 3g0f s ARG 888 Cb -0.31 -0.96 0.04 0.00 -0.45 0.00 0.00 34.95 33.27 3g0f s ARG 888 CO 0.38 0.17 1.11 -1.64 -0.68 0.00 0.00 175.30 174.64 3g0f s MET 889 N -3.21 2.33 0.49 3.54 -1.94 -1.26 -5.04 119.30 114.21 3g0f s MET 889 Ca 0.15 1.33 -0.01 0.00 -1.71 0.00 0.00 55.69 55.45 3g0f s MET 889 Cb -0.02 -1.90 0.00 0.00 2.01 0.00 0.00 34.83 34.93 3g0f s MET 889 CO 0.04 -1.61 0.72 -0.51 -0.01 0.00 0.00 175.02 173.66 3g0f s LEU 890 N -5.55 3.53 0.29 -0.03 1.43 -1.26 -5.03 118.68 112.06 3g0f s LEU 890 Ca 0.65 0.32 -0.30 0.00 -1.03 0.00 0.00 54.13 53.76 3g0f s LEU 890 Cb -0.20 -3.19 -0.12 0.00 0.03 0.00 0.00 46.19 42.72 3g0f s LEU 890 CO 0.50 -0.82 1.54 -0.24 0.23 0.00 0.00 176.35 177.56 3g0f n SER 891 N -2.20 3.61 -4.72 2.29 2.88 -1.26 -4.97 113.62 109.25 3g0f n SER 891 Ca 0.03 1.16 -0.34 0.00 -1.33 0.00 0.00 58.87 58.39 3g0f n SER 891 Cb 0.58 -1.56 0.10 0.00 -0.75 0.00 0.00 64.21 62.58 3g0f n SER 891 CO 0.00 0.00 0.00 -2.84 -1.23 0.00 0.00 175.04 170.97 3g0f s PRO 892 N -0.71 2.05 0.54 -1.46 0.02 -1.26 -4.89 135.00 129.30 3g0f s PRO 892 Ca 0.63 1.70 0.21 0.00 0.02 0.00 0.00 61.00 63.56 3g0f s PRO 892 Cb -0.52 -1.83 1.45 0.00 0.02 0.00 0.00 34.50 33.61 3g0f s PRO 892 CO 0.51 -1.89 2.16 1.49 -0.33 0.00 0.00 177.00 178.94 3g0f h GLU 893 N -0.48 0.00 -0.28 5.54 4.81 -1.94 -2.66 114.58 119.58 3g0f h GLU 893 Ca -0.47 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 3g0f h GLU 893 Cb 1.29 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.67 3g0f h GLU 893 CO 0.49 0.00 0.00 0.72 -0.73 0.00 0.00 179.01 179.49 3g0f n HIS 894 N -4.30 0.36 -2.48 0.92 8.25 -1.25 -4.96 115.22 111.76 3g0f n HIS 894 Ca -0.02 -0.25 -0.42 0.00 -0.26 0.00 0.00 57.72 56.77 3g0f n HIS 894 Cb 0.14 -0.01 -0.03 0.00 1.12 0.00 0.00 29.99 31.22 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 -1.21 3.54 0.84 -1.41 0.00 -1.00 -5.01 121.76 117.50 3g0f s ALA 895 Ca 0.28 0.55 -0.12 0.00 0.00 0.00 0.00 51.96 52.67 3g0f s ALA 895 Cb 0.16 -3.54 0.10 0.00 0.00 0.00 0.00 23.12 19.85 3g0f s ALA 895 CO 0.23 -0.86 1.17 -1.25 0.00 0.00 0.00 175.76 175.05 3g0f s PRO 896 N 2.54 1.51 0.33 0.00 0.04 -1.26 -4.82 135.00 133.34 3g0f s PRO 896 Ca 0.55 1.61 0.01 0.00 0.04 0.00 0.00 61.00 63.20 3g0f s PRO 896 Cb -0.23 -1.78 0.57 0.00 0.04 0.00 0.00 34.50 33.10 3g0f s PRO 896 CO 0.19 -2.28 1.96 0.00 0.04 0.00 0.00 177.00 176.92 3g0f h ALA 897 N -1.25 1.46 -0.89 8.56 0.00 -2.00 -2.22 119.26 122.93 3g0f h ALA 897 Ca -0.45 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.36 3g0f h ALA 897 Cb 1.28 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.77 3g0f h ALA 897 CO 0.45 0.46 0.47 0.93 0.00 0.00 0.00 179.25 181.56 3g0f h GLU 898 N 0.86 1.25 -0.04 0.00 3.07 -1.99 -2.30 114.58 115.42 3g0f h GLU 898 Ca 0.22 -0.16 -0.03 0.00 -0.50 0.00 0.00 59.36 58.90 3g0f h GLU 898 Cb -0.00 -0.24 0.00 0.00 -0.84 0.00 0.00 28.75 27.67 3g0f h GLU 898 CO -0.04 0.92 -0.08 0.52 -1.40 0.00 0.00 179.01 178.94 3g0f h MET 899 N 1.25 0.13 -0.55 2.33 2.86 -1.77 -2.37 114.93 116.79 3g0f h MET 899 Ca 0.31 -0.08 0.11 0.00 -2.06 0.00 0.00 59.70 57.98 3g0f h MET 899 Cb 0.06 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.69 3g0f h MET 899 CO -0.05 0.65 0.38 -0.92 1.06 0.00 0.00 176.91 178.03 3g0f h TYR 900 N -0.38 0.31 -0.17 -0.22 3.20 -1.48 0.16 116.97 118.39 3g0f h TYR 900 Ca 0.00 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.88 3g0f h TYR 900 Cb 0.64 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.80 3g0f h TYR 900 CO 0.11 0.14 0.10 -0.44 -1.64 0.00 0.00 178.16 176.44 3g0f h ASP 901 N 0.29 0.22 0.03 -2.11 3.32 -1.17 -0.09 116.42 116.91 3g0f h ASP 901 Ca 0.26 -0.07 -0.00 0.00 0.02 0.00 0.00 57.03 57.24 3g0f h ASP 901 Cb 0.64 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.13 3g0f h ASP 901 CO -0.06 0.22 -0.02 0.40 -1.72 0.00 0.00 179.24 178.07 3g0f h ILE 902 N 0.19 1.03 -0.93 0.35 2.04 -0.47 -2.65 117.51 117.07 3g0f h ILE 902 Ca 0.06 -0.19 0.11 0.00 1.00 0.00 0.00 64.86 65.84 3g0f h ILE 902 Cb 0.05 1.16 -0.13 0.00 -0.74 0.00 0.00 36.82 37.16 3g0f h ILE 902 CO -0.01 0.05 -0.46 0.23 0.00 0.00 0.00 178.15 177.96 3g0f n MET 903 N -5.07 -0.32 -0.08 2.37 2.81 0.37 -1.31 117.12 115.90 3g0f n MET 903 Ca -0.08 1.42 -0.09 0.00 -1.81 0.00 0.00 57.70 57.14 3g0f n MET 903 Cb 0.08 -2.09 -0.02 0.00 -0.71 0.00 0.00 33.22 30.48 3g0f n MET 903 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 3g0f h LYS 904 N 0.00 0.37 -0.06 0.03 1.57 -0.79 -1.83 116.57 115.86 3g0f h LYS 904 Ca 0.23 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.95 3g0f h LYS 904 Cb 0.47 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.69 3g0f h LYS 904 CO -0.90 0.27 -0.11 1.79 -0.57 0.00 0.00 179.45 179.93 3g0f h THR 905 N 0.36 1.12 0.00 -0.16 1.35 -1.05 -1.28 112.91 113.26 3g0f h THR 905 Ca 0.10 -0.53 -0.03 0.00 -0.55 0.00 0.00 66.41 65.40 3g0f h THR 905 Cb -0.01 1.20 -0.00 0.00 -1.73 0.00 0.00 68.15 67.61 3g0f h THR 905 CO -0.02 0.16 -0.13 0.00 -0.25 0.00 0.00 175.52 175.28 3g0f n TRP 907 N -3.81 2.23 -2.21 0.00 8.01 -0.49 -3.89 117.44 117.28 3g0f n TRP 907 Ca -0.02 -0.89 -0.40 0.00 -1.31 0.00 0.00 57.50 54.88 3g0f n TRP 907 Cb 0.24 -0.58 -0.03 0.00 -2.01 0.00 0.00 31.31 28.93 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 -0.84 6.88 0.27 -0.99 3.68 -1.01 -4.91 116.67 119.75 3g0f s ASP 908 Ca 0.55 2.57 0.08 0.00 2.13 0.00 0.00 52.55 57.87 3g0f s ASP 908 Cb 0.42 -2.64 0.35 0.00 -1.45 0.00 0.00 42.92 39.61 3g0f s ASP 908 CO 0.15 -0.44 1.62 0.00 0.13 0.00 0.00 175.17 176.62 3g0f h ALA 909 N 3.45 0.97 -2.00 3.66 0.00 -1.92 -3.38 119.26 120.04 3g0f h ALA 909 Ca -0.48 -0.53 -0.59 0.00 0.00 0.00 0.00 54.91 53.31 3g0f h ALA 909 Cb 1.22 -0.09 -0.09 0.00 0.00 0.00 0.00 17.79 18.84 3g0f h ALA 909 CO 0.66 0.72 0.66 0.34 0.00 0.00 0.00 179.25 181.63 3g0f s ASP 910 N -6.87 6.71 0.52 0.00 3.68 -1.26 -4.92 116.67 114.52 3g0f s ASP 910 Ca -0.02 0.64 0.17 0.00 2.13 0.00 0.00 52.55 55.47 3g0f s ASP 910 Cb 0.13 -2.48 1.28 0.00 -1.45 0.00 0.00 42.92 40.39 3g0f s ASP 910 CO 0.77 -0.89 2.12 -0.65 0.13 0.00 0.00 175.17 176.65 3g0f h PRO 911 N 8.48 0.02 0.00 4.34 0.11 -1.98 -2.04 132.00 140.93 3g0f h PRO 911 Ca -0.23 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.88 3g0f h PRO 911 Cb 1.07 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3g0f h PRO 911 CO 1.00 0.01 0.00 -0.07 -0.21 0.00 0.00 178.00 178.74 3g0f h LEU 912 N 0.02 0.00 -0.92 2.35 3.38 -1.93 -1.92 115.31 116.30 3g0f h LEU 912 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3g0f h LEU 912 Cb 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 3g0f h LEU 912 CO -0.00 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.82 3g0f n LYS 913 N -3.02 1.62 -3.04 1.13 5.02 -0.77 -4.89 118.16 114.22 3g0f n LYS 913 Ca 0.02 -0.92 -0.38 0.00 -2.02 0.00 0.00 58.31 55.01 3g0f n LYS 913 Cb 0.38 -1.46 -0.06 0.00 -0.02 0.00 0.00 35.03 33.88 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 -1.95 4.43 0.69 1.97 0.52 -0.72 -4.92 118.95 118.96 3g0f s ARG 914 Ca 0.37 1.03 -0.16 0.00 -0.52 0.00 0.00 55.73 56.45 3g0f s ARG 914 Cb 0.20 -3.10 0.02 0.00 0.52 0.00 0.00 34.95 32.59 3g0f s ARG 914 CO 0.32 0.50 1.22 -1.25 0.02 0.00 0.00 175.30 176.11 3g0f s PRO 915 N -1.49 2.37 0.51 3.54 0.04 -1.26 -5.04 135.00 133.67 3g0f s PRO 915 Ca 0.38 1.83 -0.03 0.00 0.04 0.00 0.00 61.00 63.22 3g0f s PRO 915 Cb -0.20 -1.85 -0.01 0.00 0.04 0.00 0.00 34.50 32.48 3g0f s PRO 915 CO 0.24 -1.67 0.78 0.95 0.04 0.00 0.00 177.00 177.33 3g0f s THR 916 N -1.80 4.08 0.28 1.26 -4.23 -1.26 -4.93 115.64 109.03 3g0f s THR 916 Ca 0.76 -0.17 -0.02 0.00 -1.18 0.00 0.00 61.69 61.09 3g0f s THR 916 Cb -0.31 -3.56 0.27 0.00 1.34 0.00 0.00 72.50 70.25 3g0f s THR 916 CO 0.42 -0.49 1.91 -0.26 -0.54 0.00 0.00 174.62 175.66 3g0f h PHE 917 N 0.15 1.15 -0.84 3.99 0.04 -1.93 -0.70 116.94 118.80 3g0f h PHE 917 Ca -0.46 0.03 0.07 0.00 2.80 0.00 0.00 57.97 60.41 3g0f h PHE 917 Cb 1.24 -0.38 -0.06 0.00 2.20 0.00 0.00 35.95 38.95 3g0f h PHE 917 CO 0.49 0.64 0.51 -0.22 -0.60 0.00 0.00 178.31 179.12 3g0f h LYS 918 N 1.16 0.89 -0.53 1.51 3.64 -1.91 -1.60 116.57 119.74 3g0f h LYS 918 Ca 0.39 -0.05 -0.11 0.00 -1.27 0.00 0.00 60.65 59.61 3g0f h LYS 918 Cb 0.08 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 31.68 3g0f h LYS 918 CO -0.13 0.59 -0.12 1.96 -2.27 0.00 0.00 179.45 179.48 3g0f h GLN 919 N 0.92 1.00 -0.67 1.90 4.20 -1.59 -2.22 115.11 118.66 3g0f h GLN 919 Ca 0.37 -0.37 0.01 0.00 0.06 0.00 0.00 58.65 58.72 3g0f h GLN 919 Cb 0.21 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 27.89 3g0f h GLN 919 CO -0.19 1.05 0.44 0.82 -0.67 0.00 0.00 178.83 180.29 3g0f h ILE 920 N 0.89 1.16 -0.44 2.54 2.04 -0.67 0.74 117.51 123.78 3g0f h ILE 920 Ca 0.14 -0.31 -0.04 0.00 1.00 0.00 0.00 64.86 65.65 3g0f h ILE 920 Cb 0.68 0.18 -0.02 0.00 -0.74 0.00 0.00 36.82 36.92 3g0f h ILE 920 CO 0.05 0.16 0.11 0.58 0.00 0.00 0.00 178.15 179.06 3g0f h VAL 921 N 0.90 1.23 0.00 1.67 2.07 -1.18 -0.70 116.25 120.24 3g0f h VAL 921 Ca 0.25 -0.79 -0.10 0.00 0.82 0.00 0.00 66.70 66.88 3g0f h VAL 921 Cb -0.09 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 30.58 3g0f h VAL 921 CO -0.06 0.28 -0.46 1.56 0.02 0.00 0.00 177.57 178.91 3g0f h GLN 922 N 0.57 0.00 -0.12 1.57 4.20 -1.12 -1.98 115.11 118.23 3g0f h GLN 922 Ca 0.14 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.78 3g0f h GLN 922 Cb 0.31 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.09 3g0f h GLN 922 CO 0.00 0.46 -0.19 1.25 -0.67 0.00 0.00 178.83 179.68 3g0f h LEU 923 N 0.00 0.37 -1.49 1.46 6.46 -0.49 -1.59 115.31 120.03 3g0f h LEU 923 Ca -0.00 -0.53 -0.03 0.00 -0.12 0.00 0.00 57.88 57.19 3g0f h LEU 923 Cb 0.83 -0.11 -0.01 0.00 -0.73 0.00 0.00 40.66 40.64 3g0f h LEU 923 CO 0.06 0.83 -0.01 0.40 -0.62 0.00 0.00 178.44 179.10 3g0f h ILE 924 N -0.08 1.14 0.00 4.05 2.04 -0.99 -1.84 117.51 121.84 3g0f h ILE 924 Ca 0.01 -0.57 -0.17 0.00 1.00 0.00 0.00 64.86 65.14 3g0f h ILE 924 Cb 0.75 1.00 0.01 0.00 -0.74 0.00 0.00 36.82 37.85 3g0f h ILE 924 CO 0.04 0.19 -0.65 -0.33 0.00 0.00 0.00 178.15 177.40 3g0f h GLU 925 N 0.31 0.43 0.00 2.37 5.08 -1.28 -2.57 114.58 118.91 3g0f h GLU 925 Ca 0.07 -0.47 -0.04 0.00 -1.00 0.00 0.00 59.36 57.92 3g0f h GLU 925 Cb 0.23 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 3g0f h GLU 925 CO 0.01 1.13 -0.19 0.87 -1.00 0.00 0.00 179.01 179.82 3g0f h LYS 926 N -0.07 0.00 -0.46 2.33 1.57 -1.15 -3.08 116.57 115.71 3g0f h LYS 926 Ca -0.08 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 3g0f h LYS 926 Cb 1.36 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.67 3g0f h LYS 926 CO 0.13 0.19 0.00 1.04 -0.57 0.00 0.00 179.45 180.24 3g0f n GLN 927 N -4.18 2.50 0.24 3.15 6.02 -0.70 -4.57 117.38 119.82 3g0f n GLN 927 Ca -0.02 -2.26 0.07 0.00 -0.01 0.00 0.00 57.00 54.77 3g0f n GLN 927 Cb 0.26 -1.45 0.56 0.00 1.02 0.00 0.00 30.24 30.63 3g0f n GLN 927 CO 0.00 0.00 0.00 0.97 -1.01 0.00 0.00 177.06 177.02 3g0f h ILE 928 N 3.68 1.04 0.00 5.09 -0.00 -1.36 -1.62 117.51 124.34 3g0f h ILE 928 Ca 0.00 -0.45 0.00 0.00 -0.00 0.00 0.00 64.86 64.41 3g0f h ILE 928 Cb 0.89 1.25 0.00 0.00 -0.00 0.00 0.00 36.82 38.96 3g0f h ILE 928 CO 0.00 0.13 -0.10 -1.54 -0.00 0.00 0.00 178.15 176.63 3g0f n SER 929 N -4.31 0.26 0.00 2.19 3.41 -1.26 -5.12 113.62 108.79 3g0f n SER 929 Ca -0.03 0.39 0.14 0.00 -0.26 0.00 0.00 58.87 59.11 3g0f n SER 929 Cb 0.20 -0.42 0.82 0.00 -0.26 0.00 0.00 64.21 64.55 3g0f n SER 929 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26