#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g0w s PRO 671 N 0.00 3.73 0.18 3.69 0.04 -1.26 -5.09 135.00 136.29 3g0w s PRO 671 Ca 0.00 -2.53 -0.13 0.00 0.04 0.00 0.00 61.00 58.38 3g0w s PRO 671 Cb 0.00 -4.52 0.17 0.00 0.04 0.00 0.00 34.50 30.19 3g0w s PRO 671 CO 0.00 -1.35 1.74 0.82 0.04 0.00 0.00 177.00 178.26 3g0w h ILE 672 N 4.69 0.81 0.01 0.56 2.04 -2.06 0.18 117.51 123.74 3g0w h ILE 672 Ca 0.13 -0.11 -0.00 0.00 1.00 0.00 0.00 64.86 65.88 3g0w h ILE 672 Cb 1.00 0.45 0.00 0.00 -0.74 0.00 0.00 36.82 37.54 3g0w h ILE 672 CO 0.85 0.06 -0.01 0.15 0.00 0.00 0.00 178.15 179.20 3g0w h PHE 673 N 0.33 -0.02 -0.10 1.37 3.57 -2.00 -2.07 116.94 118.02 3g0w h PHE 673 Ca 0.24 -0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.64 3g0w h PHE 673 Cb 0.27 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.00 3g0w h PHE 673 CO -0.17 0.02 -0.37 -0.07 -2.23 0.00 0.00 178.31 175.49 3g0w h LEU 674 N -0.05 0.21 -0.31 0.59 3.38 -1.98 -1.95 115.31 115.21 3g0w h LEU 674 Ca -0.00 -0.08 0.04 0.00 0.09 0.00 0.00 57.88 57.93 3g0w h LEU 674 Cb 0.04 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 40.70 3g0w h LEU 674 CO 0.00 0.57 0.08 0.78 0.09 0.00 0.00 178.44 179.97 3g0w h ASN 675 N 0.18 0.06 0.25 -0.43 2.35 -0.69 -1.83 115.58 115.47 3g0w h ASN 675 Ca 0.02 0.04 -0.01 0.00 -0.55 0.00 0.00 56.30 55.80 3g0w h ASN 675 Cb 0.74 0.05 0.00 0.00 0.05 0.00 0.00 38.32 39.16 3g0w h ASN 675 CO 0.06 0.07 -0.12 0.58 -1.65 0.00 0.00 177.43 176.36 3g0w h VAL 676 N 0.21 0.76 -0.84 2.81 2.07 -0.72 -1.29 116.25 119.24 3g0w h VAL 676 Ca 0.14 -0.07 0.10 0.00 0.82 0.00 0.00 66.70 67.69 3g0w h VAL 676 Cb 0.14 0.81 -0.07 0.00 -1.52 0.00 0.00 31.29 30.64 3g0w h VAL 676 CO -0.17 0.02 0.49 -0.07 0.02 0.00 0.00 177.57 177.85 3g0w h LEU 677 N -0.37 0.70 -0.40 2.57 3.38 -1.22 -1.05 115.31 118.91 3g0w h LEU 677 Ca -0.03 0.05 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 3g0w h LEU 677 Cb 0.29 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 3g0w h LEU 677 CO 0.06 0.39 -0.03 -0.33 0.09 0.00 0.00 178.44 178.62 3g0w h GLU 678 N 0.81 0.74 -0.92 1.13 5.08 -1.25 -2.60 114.58 117.57 3g0w h GLU 678 Ca 0.41 -0.25 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 3g0w h GLU 678 Cb 0.38 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.53 3g0w h GLU 678 CO -0.25 0.84 0.58 0.00 -1.00 0.00 0.00 179.01 179.18 3g0w h ALA 679 N 0.87 1.17 -0.00 3.43 0.00 -0.04 -3.04 119.26 121.65 3g0w h ALA 679 Ca 0.11 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3g0w h ALA 679 Cb 0.53 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3g0w h ALA 679 CO 0.03 0.59 -0.33 0.44 0.00 0.00 0.00 179.25 179.98 3g0w n ILE 680 N -4.42 0.00 -1.70 0.00 -5.35 -0.54 -4.93 119.36 102.42 3g0w n ILE 680 Ca 0.10 -0.08 -0.43 0.00 -0.27 0.00 0.00 62.75 62.08 3g0w n ILE 680 Cb 0.03 0.31 -0.03 0.00 -1.74 0.00 0.00 39.64 38.21 3g0w n ILE 680 CO 0.00 0.00 0.00 1.21 -1.76 0.00 0.00 176.55 176.00 3g0w n GLU 681 N -0.96 2.73 -1.48 6.28 4.07 -0.99 -4.81 120.64 125.49 3g0w n GLU 681 Ca 0.10 0.99 -0.37 0.00 -0.06 0.00 0.00 57.16 57.82 3g0w n GLU 681 Cb 0.34 -2.85 0.07 0.00 -0.06 0.00 0.00 31.44 28.94 3g0w n GLU 681 CO 0.00 0.00 0.00 -2.30 -0.06 0.00 0.00 177.13 174.77 3g0w n PRO 682 N 4.62 0.66 -0.03 5.31 -0.02 -1.26 -5.04 135.00 139.23 3g0w n PRO 682 Ca 0.17 0.27 0.00 0.00 -2.02 0.00 0.00 63.50 61.92 3g0w n PRO 682 Cb 0.35 -2.14 0.00 0.00 -0.02 0.00 0.00 33.50 31.70 3g0w n PRO 682 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3g0w n GLY 683 N 1.28 -0.03 3.75 -1.23 0.00 -1.26 -5.02 105.19 102.68 3g0w n GLY 683 Ca 0.13 -1.75 -0.41 0.00 0.00 0.00 0.00 46.02 43.99 3g0w n GLY 683 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3g0w s VAL 684 N 0.46 3.42 -0.18 1.61 1.01 -1.26 -5.03 120.40 120.43 3g0w s VAL 684 Ca 0.00 1.26 0.01 0.00 0.00 0.00 0.00 61.98 63.25 3g0w s VAL 684 Cb 0.00 -3.81 0.03 0.00 0.00 0.00 0.00 36.38 32.60 3g0w s VAL 684 CO 0.00 0.24 -0.14 -0.69 0.00 0.00 0.00 175.10 174.51 3g0w s VAL 685 N -0.43 1.73 0.25 2.92 1.01 -1.26 -5.13 120.40 119.49 3g0w s VAL 685 Ca 0.51 -0.87 -0.10 0.00 0.00 0.00 0.00 61.98 61.52 3g0w s VAL 685 Cb -0.34 -1.67 -0.07 0.00 0.00 0.00 0.00 36.38 34.30 3g0w s VAL 685 CO 0.40 0.36 0.58 0.00 0.00 0.00 0.00 175.10 176.44 3g0w h ALA 687 N 2.42 0.68 0.00 0.00 0.00 -1.92 -3.46 119.26 116.98 3g0w h ALA 687 Ca -0.47 -1.21 0.00 0.00 0.00 0.00 0.00 54.91 53.23 3g0w h ALA 687 Cb 1.17 0.32 0.00 0.00 0.00 0.00 0.00 17.79 19.28 3g0w h ALA 687 CO 0.68 1.36 0.00 0.41 0.00 0.00 0.00 179.25 181.70 3g0w n GLY 688 N 1.47 0.44 3.77 0.00 0.00 -1.26 -4.54 105.19 105.08 3g0w n GLY 688 Ca -0.12 -0.96 -0.38 0.00 0.00 0.00 0.00 46.02 44.56 3g0w n GLY 688 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3g0w s HIS 689 N -2.00 3.29 -0.82 1.61 5.04 -1.26 -4.98 115.29 116.17 3g0w s HIS 689 Ca 0.00 1.64 -0.21 0.00 -1.54 0.00 0.00 55.06 54.94 3g0w s HIS 689 Cb 0.00 -3.23 0.09 0.00 0.04 0.00 0.00 32.58 29.47 3g0w s HIS 689 CO 0.00 -0.79 1.12 0.34 -2.34 0.00 0.00 174.74 173.07 3g0w s ASP 690 N -1.29 6.40 0.00 9.88 3.68 -1.26 -4.84 116.67 129.23 3g0w s ASP 690 Ca 0.54 -1.44 0.29 0.00 2.13 0.00 0.00 52.55 54.08 3g0w s ASP 690 Cb -0.27 -2.44 1.27 0.00 -1.45 0.00 0.00 42.92 40.03 3g0w s ASP 690 CO 0.34 -1.33 1.93 0.59 0.13 0.00 0.00 175.17 176.83 3g0w n ASN 691 N 7.52 0.03 -1.69 -0.34 3.02 -1.26 -3.96 115.26 118.59 3g0w n ASN 691 Ca 0.13 0.32 -0.13 0.00 -0.03 0.00 0.00 54.58 54.87 3g0w n ASN 691 Cb 0.48 -0.42 0.07 0.00 -0.61 0.00 0.00 39.78 39.30 3g0w n ASN 691 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3g0w n ASN 692 N -1.45 4.47 -3.56 6.41 3.02 -1.26 -4.84 115.26 118.05 3g0w n ASN 692 Ca 0.09 -2.86 -0.15 0.00 -0.03 0.00 0.00 54.58 51.62 3g0w n ASN 692 Cb 0.32 -0.80 -0.06 0.00 -0.61 0.00 0.00 39.78 38.62 3g0w n ASN 692 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3g0w s GLN 693 N -1.63 0.91 0.14 3.52 -2.07 -1.25 -5.15 119.66 114.13 3g0w s GLN 693 Ca 0.28 0.45 -0.32 0.00 -1.82 0.00 0.00 55.36 53.95 3g0w s GLN 693 Cb 0.23 0.43 -0.18 0.00 -1.09 0.00 0.00 33.01 32.40 3g0w s GLN 693 CO 0.03 -0.24 0.81 -2.30 -1.32 0.00 0.00 175.29 172.27 3g0w n PRO 694 N 1.41 0.25 -2.07 9.60 -0.02 -1.26 -4.90 135.00 138.01 3g0w n PRO 694 Ca -0.16 0.09 -0.37 0.00 -2.02 0.00 0.00 63.50 61.03 3g0w n PRO 694 Cb 0.57 -1.33 0.01 0.00 -0.02 0.00 0.00 33.50 32.72 3g0w n PRO 694 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3g0w s ASP 695 N -0.53 5.75 -0.01 2.55 -0.00 -1.26 -5.05 116.67 118.13 3g0w s ASP 695 Ca 0.73 2.46 -0.08 0.00 -0.00 0.00 0.00 52.55 55.67 3g0w s ASP 695 Cb -1.01 -2.61 0.01 0.00 -0.00 0.00 0.00 42.92 39.31 3g0w s ASP 695 CO 0.56 -1.22 0.16 -0.94 -0.00 0.00 0.00 175.17 173.73 3g0w s SER 696 N -1.26 -0.02 0.23 0.27 1.04 -1.26 -5.05 113.70 107.64 3g0w s SER 696 Ca 0.68 -0.10 -0.08 0.00 0.48 0.00 0.00 55.95 56.94 3g0w s SER 696 Cb -0.33 0.24 0.25 0.00 0.10 0.00 0.00 66.02 66.28 3g0w s SER 696 CO 0.39 -0.33 1.87 0.15 0.98 0.00 0.00 173.24 176.30 3g0w h PHE 697 N 4.51 0.98 -0.05 5.02 3.57 -1.97 -1.16 116.94 127.83 3g0w h PHE 697 Ca -0.30 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.23 3g0w h PHE 697 Cb 1.19 -0.32 -0.00 0.00 2.79 0.00 0.00 35.95 39.61 3g0w h PHE 697 CO 0.56 0.56 0.03 0.00 -2.23 0.00 0.00 178.31 177.22 3g0w h ALA 698 N 1.34 0.06 -0.32 2.41 0.00 -1.89 -1.62 119.26 119.26 3g0w h ALA 698 Ca 0.33 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 3g0w h ALA 698 Cb 0.02 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3g0w h ALA 698 CO -0.12 -0.40 0.17 0.00 0.00 0.00 0.00 179.25 178.89 3g0w h ALA 699 N 0.95 0.41 -0.35 0.00 0.00 -1.84 -0.74 119.26 117.69 3g0w h ALA 699 Ca 0.02 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 3g0w h ALA 699 Cb 0.07 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3g0w h ALA 699 CO -0.00 -0.06 0.14 -0.07 0.00 0.00 0.00 179.25 179.26 3g0w h LEU 700 N 0.39 0.48 -0.42 0.00 3.38 -1.10 -1.96 115.31 116.08 3g0w h LEU 700 Ca 0.11 -0.17 -0.17 0.00 0.09 0.00 0.00 57.88 57.74 3g0w h LEU 700 Cb 0.08 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 3g0w h LEU 700 CO -0.02 0.52 -0.56 -0.07 0.09 0.00 0.00 178.44 178.41 3g0w h LEU 701 N 0.42 0.76 -1.60 1.67 -0.00 -1.28 -1.26 115.31 114.02 3g0w h LEU 701 Ca 0.12 -0.41 -0.01 0.00 -0.00 0.00 0.00 57.88 57.57 3g0w h LEU 701 Cb 0.19 -0.22 -0.01 0.00 -0.00 0.00 0.00 40.66 40.62 3g0w h LEU 701 CO -0.01 1.16 0.10 0.28 -0.00 0.00 0.00 178.44 179.97 3g0w h SER 702 N 0.52 0.32 0.38 -0.43 0.02 -1.06 -0.01 113.55 113.28 3g0w h SER 702 Ca 0.01 -0.03 -0.20 0.00 -0.84 0.00 0.00 61.79 60.74 3g0w h SER 702 Cb 1.13 -0.08 -0.00 0.00 0.14 0.00 0.00 62.40 63.58 3g0w h SER 702 CO 0.11 0.30 -0.82 0.28 -1.14 0.00 0.00 176.83 175.56 3g0w h SER 703 N 0.36 0.42 -0.18 3.07 0.02 -1.00 -1.98 113.55 114.26 3g0w h SER 703 Ca 0.09 -0.31 -0.11 0.00 -0.84 0.00 0.00 61.79 60.63 3g0w h SER 703 Cb 0.09 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.49 3g0w h SER 703 CO -0.01 1.07 -0.24 -0.07 -1.14 0.00 0.00 176.83 176.45 3g0w h LEU 704 N 0.21 0.64 -0.42 5.07 3.38 -0.33 -0.71 115.31 123.15 3g0w h LEU 704 Ca -0.05 -0.23 -0.04 0.00 0.09 0.00 0.00 57.88 57.66 3g0w h LEU 704 Cb 1.43 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.98 3g0w h LEU 704 CO 0.14 0.87 0.12 0.78 0.09 0.00 0.00 178.44 180.43 3g0w h ASN 705 N 0.56 0.62 -0.26 -0.43 2.35 -0.88 0.48 115.58 118.01 3g0w h ASN 705 Ca 0.08 -0.22 -0.04 0.00 -0.55 0.00 0.00 56.30 55.57 3g0w h ASN 705 Cb 0.71 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.91 3g0w h ASN 705 CO 0.05 0.68 0.02 -0.08 -1.65 0.00 0.00 177.43 176.45 3g0w h GLU 706 N 0.54 0.45 -0.80 0.81 4.57 -1.22 -1.37 114.58 117.56 3g0w h GLU 706 Ca 0.13 -0.14 -0.03 0.00 -1.18 0.00 0.00 59.36 58.15 3g0w h GLU 706 Cb 0.29 -0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 28.79 3g0w h GLU 706 CO -0.00 0.60 0.37 1.25 -1.18 0.00 0.00 179.01 180.06 3g0w h LEU 707 N 0.24 1.05 -0.90 1.64 5.85 -0.99 -1.20 115.31 121.00 3g0w h LEU 707 Ca 0.08 -0.14 0.04 0.00 0.84 0.00 0.00 57.88 58.69 3g0w h LEU 707 Cb 0.39 -0.27 -0.06 0.00 0.37 0.00 0.00 40.66 41.09 3g0w h LEU 707 CO 0.01 0.90 0.58 1.23 -0.34 0.00 0.00 178.44 180.82 3g0w h GLY 708 N 1.13 1.32 0.69 3.75 0.00 0.31 -0.13 103.07 110.15 3g0w h GLY 708 Ca 0.27 -0.44 -0.02 0.00 0.00 0.00 0.00 47.33 47.14 3g0w h GLY 708 CO -0.03 0.37 -0.03 -2.09 0.00 0.00 0.00 176.54 174.76 3g0w h GLU 709 N 1.12 0.16 -0.99 4.80 4.81 -0.75 -1.77 114.58 121.97 3g0w h GLU 709 Ca 0.37 -0.06 0.12 0.00 -0.13 0.00 0.00 59.36 59.65 3g0w h GLU 709 Cb 0.03 -0.01 -0.08 0.00 0.63 0.00 0.00 28.75 29.32 3g0w h GLU 709 CO -0.13 0.50 0.63 0.00 -0.73 0.00 0.00 179.01 179.28 3g0w h ARG 710 N -0.19 0.94 -0.40 1.92 2.47 -0.84 -1.87 114.38 116.41 3g0w h ARG 710 Ca 0.02 -0.06 -0.13 0.00 -1.26 0.00 0.00 59.98 58.56 3g0w h ARG 710 Cb 0.45 -0.21 -0.01 0.00 -1.65 0.00 0.00 29.97 28.54 3g0w h ARG 710 CO 0.01 0.62 -0.24 1.96 0.56 0.00 0.00 179.97 182.88 3g0w h GLN 711 N 0.97 0.88 -0.72 0.04 1.08 -0.90 -2.57 115.11 113.89 3g0w h GLN 711 Ca 0.49 -0.40 0.03 0.00 -1.45 0.00 0.00 58.65 57.32 3g0w h GLN 711 Cb 0.50 -0.01 -0.05 0.00 -0.05 0.00 0.00 27.48 27.87 3g0w h GLN 711 CO -0.25 1.05 0.45 1.25 -0.95 0.00 0.00 178.83 180.38 3g0w h LEU 712 N 0.69 0.73 -0.67 1.46 5.85 -0.82 0.56 115.31 123.12 3g0w h LEU 712 Ca 0.08 0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.83 3g0w h LEU 712 Cb 0.81 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.65 3g0w h LEU 712 CO 0.07 0.50 0.43 0.58 -0.34 0.00 0.00 178.44 179.68 3g0w h VAL 713 N 0.87 1.12 -0.18 1.05 2.07 -1.17 -0.15 116.25 119.86 3g0w h VAL 713 Ca 0.29 -0.29 -0.19 0.00 0.82 0.00 0.00 66.70 67.33 3g0w h VAL 713 Cb 0.03 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 29.99 3g0w h VAL 713 CO -0.12 0.16 -0.65 0.45 0.02 0.00 0.00 177.57 177.43 3g0w h HIS 714 N 0.86 0.87 -0.67 1.57 3.86 -0.99 -3.03 115.15 117.61 3g0w h HIS 714 Ca 0.26 -0.35 -0.02 0.00 -1.16 0.00 0.00 60.37 59.10 3g0w h HIS 714 Cb -0.03 -0.15 -0.03 0.00 1.06 0.00 0.00 27.41 28.26 3g0w h HIS 714 CO -0.04 1.13 0.32 0.28 0.86 0.00 0.00 177.93 180.49 3g0w h VAL 715 N 0.49 1.22 -0.43 2.45 2.07 0.69 -0.46 116.25 122.28 3g0w h VAL 715 Ca -0.02 -0.61 -0.02 0.00 0.82 0.00 0.00 66.70 66.87 3g0w h VAL 715 Cb 1.24 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 31.35 3g0w h VAL 715 CO 0.13 0.26 0.19 0.58 0.02 0.00 0.00 177.57 178.75 3g0w h VAL 716 N 0.95 1.19 -0.47 2.57 2.07 -0.99 0.97 116.25 122.54 3g0w h VAL 716 Ca 0.23 -0.56 -0.13 0.00 0.82 0.00 0.00 66.70 67.07 3g0w h VAL 716 Cb 0.10 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 3g0w h VAL 716 CO -0.03 0.21 -0.20 0.11 0.02 0.00 0.00 177.57 177.68 3g0w h LYS 717 N 0.55 0.94 0.37 1.57 1.57 -1.37 -2.05 116.57 118.16 3g0w h LYS 717 Ca 0.15 -0.39 -0.02 0.00 -1.87 0.00 0.00 60.65 58.52 3g0w h LYS 717 Cb 0.15 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.43 3g0w h LYS 717 CO -0.02 1.05 -0.18 2.35 -0.57 0.00 0.00 179.45 182.09 3g0w h TRP 718 N 0.82 -0.46 -0.62 -1.35 7.01 -0.95 -3.04 115.95 117.37 3g0w h TRP 718 Ca 0.11 -0.01 0.08 0.00 2.11 0.00 0.00 58.89 61.18 3g0w h TRP 718 Cb 0.76 0.15 -0.06 0.00 -2.10 0.00 0.00 29.16 27.91 3g0w h TRP 718 CO 0.05 -0.20 0.28 0.00 -2.79 0.00 0.00 178.44 175.77 3g0w h ALA 719 N -0.05 0.82 0.00 2.65 0.00 -0.77 -1.36 119.26 120.55 3g0w h ALA 719 Ca -0.05 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3g0w h ALA 719 Cb 0.46 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3g0w h ALA 719 CO 0.08 -0.12 0.00 0.87 0.00 0.00 0.00 179.25 180.09 3g0w h LYS 720 N 0.50 0.00 -0.06 0.00 1.79 -1.36 -2.01 116.57 115.43 3g0w h LYS 720 Ca 0.30 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.77 3g0w h LYS 720 Cb 0.31 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.96 3g0w h LYS 720 CO -0.26 0.00 0.00 0.00 -1.08 0.00 0.00 179.45 178.11 3g0w n ALA 721 N -1.91 2.46 -1.78 3.86 0.00 -0.52 -4.77 120.51 117.85 3g0w n ALA 721 Ca -0.01 -0.72 -0.37 0.00 0.00 0.00 0.00 53.44 52.35 3g0w n ALA 721 Cb 0.11 -0.81 -0.02 0.00 0.00 0.00 0.00 19.45 18.73 3g0w n ALA 721 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3g0w s LEU 722 N -1.95 4.01 0.27 0.00 1.43 -0.76 -4.96 118.68 116.72 3g0w s LEU 722 Ca 0.29 2.21 -0.30 0.00 -1.03 0.00 0.00 54.13 55.30 3g0w s LEU 722 Cb 0.20 -4.28 -0.12 0.00 0.03 0.00 0.00 46.19 42.02 3g0w s LEU 722 CO 0.30 -0.84 1.52 -2.65 0.23 0.00 0.00 176.35 174.91 3g0w n PRO 723 N -0.50 2.44 0.00 1.29 -0.02 -1.26 -2.24 135.00 134.72 3g0w n PRO 723 Ca 0.07 0.87 0.00 0.00 -2.02 0.00 0.00 63.50 62.42 3g0w n PRO 723 Cb 0.49 -2.60 0.00 0.00 -0.02 0.00 0.00 33.50 31.37 3g0w n PRO 723 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3g0w n GLY 724 N 2.13 2.30 0.37 -1.23 0.00 -1.26 -4.89 105.19 102.61 3g0w n GLY 724 Ca 0.10 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.28 3g0w n GLY 724 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3g0w h PHE 725 N 0.00 0.92 0.00 1.61 3.57 -1.76 0.36 116.94 121.65 3g0w h PHE 725 Ca 0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 3g0w h PHE 725 Cb 0.00 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 38.47 3g0w h PHE 725 CO 0.00 0.16 0.00 0.54 -2.23 0.00 0.00 178.31 176.78 3g0w n ARG 726 N -4.73 0.78 0.13 1.11 1.74 -1.26 -2.33 116.66 112.10 3g0w n ARG 726 Ca 0.24 0.00 -0.02 0.00 -0.77 0.00 0.00 57.85 57.30 3g0w n ARG 726 Cb 0.68 -1.41 0.13 0.00 -1.02 0.00 0.00 32.46 30.84 3g0w n ARG 726 CO 0.00 0.00 0.00 -0.91 -1.52 0.00 0.00 177.63 175.20 3g0w h ASN 727 N 0.00 0.00 -4.17 0.55 -0.26 -0.67 -3.45 115.58 107.58 3g0w h ASN 727 Ca 0.00 0.00 -0.51 0.00 -0.56 0.00 0.00 56.30 55.23 3g0w h ASN 727 Cb 0.00 0.00 0.09 0.00 -1.06 0.00 0.00 38.32 37.35 3g0w h ASN 727 CO 0.00 0.67 0.39 -0.76 -1.06 0.00 0.00 177.43 176.67 3g0w s LEU 728 N -7.43 3.49 0.52 1.61 1.43 -0.98 -4.92 118.68 112.39 3g0w s LEU 728 Ca -0.01 2.05 -0.22 0.00 -1.03 0.00 0.00 54.13 54.93 3g0w s LEU 728 Cb 0.12 -4.56 -0.06 0.00 0.03 0.00 0.00 46.19 41.72 3g0w s LEU 728 CO 0.77 -1.53 1.26 -2.28 0.23 0.00 0.00 176.35 174.80 3g0w s HIS 729 N -2.18 2.54 0.36 0.29 5.65 -1.26 -4.80 115.29 115.89 3g0w s HIS 729 Ca 0.69 1.46 0.14 0.00 0.25 0.00 0.00 55.06 57.59 3g0w s HIS 729 Cb -0.22 -3.59 0.98 0.00 -1.18 0.00 0.00 32.58 28.57 3g0w s HIS 729 CO 0.38 -2.24 1.77 0.28 -0.65 0.00 0.00 174.74 174.28 3g0w h VAL 730 N 1.54 0.59 -0.00 0.89 2.07 -1.94 -0.34 116.25 119.06 3g0w h VAL 730 Ca -0.50 -0.18 -0.23 0.00 0.82 0.00 0.00 66.70 66.61 3g0w h VAL 730 Cb 1.28 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 31.08 3g0w h VAL 730 CO 0.58 0.09 -0.95 0.44 0.02 0.00 0.00 177.57 177.76 3g0w h ASP 731 N 0.52 0.59 0.56 0.57 5.19 -2.02 -3.11 116.42 118.71 3g0w h ASP 731 Ca 0.59 -0.47 -0.07 0.00 -0.62 0.00 0.00 57.03 56.46 3g0w h ASP 731 Cb 1.27 -0.18 -0.01 0.00 0.18 0.00 0.00 39.33 40.59 3g0w h ASP 731 CO -0.34 1.26 -0.33 0.44 -3.12 0.00 0.00 179.24 177.16 3g0w h ASP 732 N 0.26 0.00 0.89 6.45 3.32 -1.56 -3.05 116.42 122.73 3g0w h ASP 732 Ca -0.08 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.92 3g0w h ASP 732 Cb 1.58 0.00 0.01 0.00 0.22 0.00 0.00 39.33 41.14 3g0w h ASP 732 CO 0.17 0.33 -0.43 1.56 -1.72 0.00 0.00 179.24 179.15 3g0w h GLN 733 N 0.00 -1.15 -0.26 3.56 4.20 -1.04 -1.58 115.11 118.84 3g0w h GLN 733 Ca -0.00 0.08 -0.10 0.00 0.06 0.00 0.00 58.65 58.69 3g0w h GLN 733 Cb 0.70 0.26 -0.01 0.00 0.30 0.00 0.00 27.48 28.73 3g0w h GLN 733 CO 0.04 -0.77 -0.25 1.98 -0.67 0.00 0.00 178.83 179.17 3g0w h MET 734 N -1.21 0.50 -0.15 1.46 4.05 -1.64 -2.75 114.93 115.19 3g0w h MET 734 Ca -0.12 -0.19 -0.00 0.00 -0.28 0.00 0.00 59.70 59.11 3g0w h MET 734 Cb 0.92 -0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 31.68 3g0w h MET 734 CO 0.20 0.71 0.09 0.00 0.23 0.00 0.00 176.91 178.14 3g0w h ALA 735 N 1.29 0.19 -0.91 0.39 0.00 -1.51 0.04 119.26 118.74 3g0w h ALA 735 Ca 0.06 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3g0w h ALA 735 Cb 0.67 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.36 3g0w h ALA 735 CO 0.05 -0.30 0.59 0.28 0.00 0.00 0.00 179.25 179.87 3g0w h VAL 736 N 0.17 1.24 0.34 0.00 2.07 -1.21 -0.40 116.25 118.46 3g0w h VAL 736 Ca 0.05 -0.47 -0.02 0.00 0.82 0.00 0.00 66.70 67.08 3g0w h VAL 736 Cb 0.03 -0.08 0.00 0.00 -1.52 0.00 0.00 31.29 29.72 3g0w h VAL 736 CO -0.01 0.24 -0.16 0.40 0.02 0.00 0.00 177.57 178.06 3g0w h ILE 737 N 1.25 0.68 -0.64 4.57 2.04 -1.17 -2.02 117.51 122.21 3g0w h ILE 737 Ca 0.33 -0.26 0.05 0.00 1.00 0.00 0.00 64.86 65.98 3g0w h ILE 737 Cb -0.11 0.82 -0.05 0.00 -0.74 0.00 0.00 36.82 36.75 3g0w h ILE 737 CO -0.07 0.05 0.36 1.56 0.00 0.00 0.00 178.15 180.06 3g0w h GLN 738 N -0.60 0.67 -0.38 2.37 4.20 -0.65 0.86 115.11 121.58 3g0w h GLN 738 Ca -0.05 -0.04 -0.11 0.00 0.06 0.00 0.00 58.65 58.51 3g0w h GLN 738 Cb 0.44 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.05 3g0w h GLN 738 CO 0.08 0.44 -0.22 1.88 -0.67 0.00 0.00 178.83 180.33 3g0w h TYR 739 N 0.69 0.85 0.00 2.96 0.05 -1.07 -3.13 116.97 117.32 3g0w h TYR 739 Ca 0.28 -0.19 0.00 0.00 0.05 0.00 0.00 58.73 58.87 3g0w h TYR 739 Cb 0.14 -0.20 0.00 0.00 1.01 0.00 0.00 36.73 37.67 3g0w h TYR 739 CO -0.07 0.90 -0.43 0.77 -1.05 0.00 0.00 178.16 178.28 3g0w h SER 740 N 0.65 0.00 -0.56 3.88 0.02 -0.93 -3.41 113.55 113.21 3g0w h SER 740 Ca 0.09 -0.13 0.09 0.00 -0.84 0.00 0.00 61.79 61.00 3g0w h SER 740 Cb 0.72 0.00 -0.11 0.00 0.14 0.00 0.00 62.40 63.16 3g0w h SER 740 CO 0.06 0.07 -0.41 -0.25 -1.14 0.00 0.00 176.83 175.16 3g0w h TRP 741 N 0.00 -1.18 -0.43 3.45 7.01 -0.78 -0.90 115.95 123.12 3g0w h TRP 741 Ca 0.00 0.08 0.04 0.00 2.11 0.00 0.00 58.89 61.12 3g0w h TRP 741 Cb 0.77 0.60 -0.04 0.00 -2.10 0.00 0.00 29.16 28.38 3g0w h TRP 741 CO 0.00 -0.41 0.21 1.98 -2.79 0.00 0.00 178.44 177.42 3g0w h MET 742 N -0.22 0.40 -0.73 2.65 4.05 -1.81 -0.98 114.93 118.30 3g0w h MET 742 Ca 0.19 -0.02 -0.05 0.00 -0.28 0.00 0.00 59.70 59.53 3g0w h MET 742 Cb 0.56 -0.09 -0.03 0.00 -0.80 0.00 0.00 31.60 31.24 3g0w h MET 742 CO -0.67 0.27 0.26 0.78 0.23 0.00 0.00 176.91 177.78 3g0w h GLY 743 N 0.42 1.20 1.02 1.39 0.00 -1.74 0.13 103.07 105.48 3g0w h GLY 743 Ca 0.19 -0.68 -0.03 0.00 0.00 0.00 0.00 47.33 46.81 3g0w h GLY 743 CO -0.14 0.64 0.35 1.41 0.00 0.00 0.00 176.54 178.80 3g0w h LEU 744 N 1.06 0.95 -0.29 3.11 3.38 -0.79 -1.01 115.31 121.73 3g0w h LEU 744 Ca 0.24 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 3g0w h LEU 744 Cb 0.26 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 3g0w h LEU 744 CO -0.01 0.82 0.07 0.24 0.09 0.00 0.00 178.44 179.64 3g0w h MET 745 N 1.02 0.46 -0.36 1.13 2.86 -0.80 -1.72 114.93 117.52 3g0w h MET 745 Ca 0.25 -0.11 0.01 0.00 -2.06 0.00 0.00 59.70 57.78 3g0w h MET 745 Cb 0.12 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.70 3g0w h MET 745 CO -0.03 0.55 0.23 0.28 1.06 0.00 0.00 176.91 179.00 3g0w h VAL 746 N 0.30 1.08 -0.34 -2.22 2.07 -0.67 0.77 116.25 117.23 3g0w h VAL 746 Ca 0.09 -0.16 -0.03 0.00 0.82 0.00 0.00 66.70 67.42 3g0w h VAL 746 Cb 0.30 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 3g0w h VAL 746 CO 0.00 0.09 0.09 0.15 0.02 0.00 0.00 177.57 177.92 3g0w h PHE 747 N 0.47 0.57 -0.23 1.57 3.57 -1.08 -0.35 116.94 121.45 3g0w h PHE 747 Ca 0.14 -0.06 -0.12 0.00 3.53 0.00 0.00 57.97 61.45 3g0w h PHE 747 Cb -0.04 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 38.53 3g0w h PHE 747 CO -0.06 0.57 -0.35 0.00 -2.23 0.00 0.00 178.31 176.24 3g0w h ALA 748 N 0.93 0.95 -0.41 2.41 0.00 -1.15 -2.28 119.26 119.72 3g0w h ALA 748 Ca 0.11 -0.41 -0.11 0.00 0.00 0.00 0.00 54.91 54.51 3g0w h ALA 748 Cb 0.28 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3g0w h ALA 748 CO -0.00 0.62 -0.17 1.98 0.00 0.00 0.00 179.25 181.67 3g0w h MET 749 N 0.43 0.77 -0.84 0.00 1.85 -0.55 -1.50 114.93 115.10 3g0w h MET 749 Ca 0.05 -0.29 -0.03 0.00 -0.61 0.00 0.00 59.70 58.82 3g0w h MET 749 Cb 0.82 -0.05 -0.04 0.00 0.43 0.00 0.00 31.60 32.76 3g0w h MET 749 CO 0.07 0.90 0.42 0.78 -0.40 0.00 0.00 176.91 178.68 3g0w h GLY 750 N 0.97 1.27 0.68 1.39 0.00 -0.74 -1.10 103.07 105.54 3g0w h GLY 750 Ca 0.10 -0.61 -0.00 0.00 0.00 0.00 0.00 47.33 46.82 3g0w h GLY 750 CO 0.05 0.58 -0.02 -0.25 0.00 0.00 0.00 176.54 176.90 3g0w h TRP 751 N 1.18 -0.06 -0.97 5.60 2.91 -0.96 -1.59 115.95 122.06 3g0w h TRP 751 Ca 0.29 -0.00 0.13 0.00 1.13 0.00 0.00 58.89 60.44 3g0w h TRP 751 Cb 0.08 0.02 -0.09 0.00 -0.51 0.00 0.00 29.16 28.67 3g0w h TRP 751 CO 0.01 0.27 0.60 0.00 -1.03 0.00 0.00 178.44 178.29 3g0w h ARG 752 N -0.38 0.89 -0.36 2.65 3.08 -1.13 0.14 114.38 119.26 3g0w h ARG 752 Ca -0.01 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 59.95 3g0w h ARG 752 Cb 0.35 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 3g0w h ARG 752 CO 0.01 0.59 0.06 0.77 -1.07 0.00 0.00 179.97 180.33 3g0w h SER 753 N 0.92 0.56 0.47 7.04 0.02 -1.03 0.10 113.55 121.63 3g0w h SER 753 Ca 0.50 -0.26 -0.02 0.00 -0.84 0.00 0.00 61.79 61.17 3g0w h SER 753 Cb 0.54 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.94 3g0w h SER 753 CO -0.29 0.68 -0.23 0.15 -1.14 0.00 0.00 176.83 176.00 3g0w h PHE 754 N 0.43 -0.59 -0.49 3.45 3.57 -0.41 -0.80 116.94 122.10 3g0w h PHE 754 Ca 0.11 -0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.49 3g0w h PHE 754 Cb 0.35 0.19 -0.02 0.00 2.79 0.00 0.00 35.95 39.27 3g0w h PHE 754 CO 0.02 -0.33 -0.11 1.79 -2.23 0.00 0.00 178.31 177.46 3g0w h THR 755 N -0.71 1.26 0.13 4.41 1.35 -0.72 -2.29 112.91 116.35 3g0w h THR 755 Ca -0.06 -1.22 -0.28 0.00 -0.55 0.00 0.00 66.41 64.29 3g0w h THR 755 Cb 0.52 1.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.94 3g0w h THR 755 CO 0.11 0.43 -1.43 0.78 -0.25 0.00 0.00 175.52 175.16 3g0w h ASN 756 N 0.81 0.42 0.00 5.36 4.21 -0.84 -3.42 115.58 122.13 3g0w h ASN 756 Ca 0.13 -0.87 -0.07 0.00 1.21 0.00 0.00 56.30 56.70 3g0w h ASN 756 Cb 0.64 -0.14 -0.15 0.00 -1.12 0.00 0.00 38.32 37.54 3g0w h ASN 756 CO 0.04 1.63 -0.70 1.33 -1.29 0.00 0.00 177.43 178.44 3g0w n VAL 757 N -3.89 1.32 -3.56 2.81 0.24 -0.56 -4.99 118.33 109.71 3g0w n VAL 757 Ca -0.24 -2.32 -0.25 0.00 -2.04 0.00 0.00 64.34 59.48 3g0w n VAL 757 Cb 0.92 0.25 -0.02 0.00 -1.47 0.00 0.00 33.84 33.53 3g0w n VAL 757 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 3g0w n ASN 758 N -0.48 -3.04 -0.40 -1.34 4.05 -0.86 -0.67 115.26 112.53 3g0w n ASN 758 Ca 0.14 -0.50 -0.05 0.00 0.45 0.00 0.00 54.58 54.62 3g0w n ASN 758 Cb 0.87 -2.54 -0.02 0.00 1.23 0.00 0.00 39.78 39.31 3g0w n ASN 758 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 177.26 173.01 3g0w n SER 759 N -2.27 -5.13 0.17 1.20 7.64 -0.42 -4.86 113.62 109.96 3g0w n SER 759 Ca 0.02 0.13 0.05 0.00 1.01 0.00 0.00 58.87 60.08 3g0w n SER 759 Cb 0.51 -3.09 0.26 0.00 -1.01 0.00 0.00 64.21 60.89 3g0w n SER 759 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 3g0w h ARG 760 N 0.17 0.00 -4.14 1.43 9.65 -1.14 -3.46 114.38 116.89 3g0w h ARG 760 Ca -0.11 0.00 -0.14 0.00 -1.10 0.00 0.00 59.98 58.63 3g0w h ARG 760 Cb 0.84 0.00 -0.14 0.00 -1.39 0.00 0.00 29.97 29.29 3g0w h ARG 760 CO 0.16 0.42 -0.47 -1.64 2.80 0.00 0.00 179.97 181.24 3g0w s MET 761 N -3.44 1.08 -0.38 0.20 -1.94 -1.26 -4.90 119.30 108.65 3g0w s MET 761 Ca 0.01 -1.31 -0.22 0.00 -1.71 0.00 0.00 55.69 52.46 3g0w s MET 761 Cb 0.10 0.32 0.01 0.00 2.01 0.00 0.00 34.83 37.27 3g0w s MET 761 CO 0.70 -0.36 0.70 -0.51 -0.01 0.00 0.00 175.02 175.54 3g0w s LEU 762 N -3.01 4.25 -1.22 -0.03 1.43 -0.72 -4.79 118.68 114.59 3g0w s LEU 762 Ca 0.22 0.11 -0.10 0.00 -1.03 0.00 0.00 54.13 53.33 3g0w s LEU 762 Cb 0.05 -2.87 0.20 0.00 0.03 0.00 0.00 46.19 43.60 3g0w s LEU 762 CO 0.02 -0.70 1.64 0.00 0.23 0.00 0.00 176.35 177.54 3g0w n TYR 763 N 6.26 3.59 -0.12 0.29 9.36 -1.26 -0.34 117.16 134.94 3g0w n TYR 763 Ca 0.00 -3.00 -0.08 0.00 3.32 0.00 0.00 57.90 58.14 3g0w n TYR 763 Cb 0.48 -1.90 0.00 0.00 -0.63 0.00 0.00 39.34 37.30 3g0w n TYR 763 CO 0.00 0.00 0.00 0.74 0.22 0.00 0.00 176.86 177.82 3g0w h PHE 764 N 6.15 0.47 -3.09 2.98 -1.00 -1.82 -3.41 116.94 117.22 3g0w h PHE 764 Ca 0.33 0.01 0.02 0.00 2.81 0.00 0.00 57.97 61.14 3g0w h PHE 764 Cb 0.71 -0.16 -0.09 0.00 3.61 0.00 0.00 35.95 40.03 3g0w h PHE 764 CO 1.14 0.29 0.16 0.00 -1.61 0.00 0.00 178.31 178.29 3g0w s ALA 765 N -6.16 -1.24 0.45 2.45 0.00 -1.11 -4.96 121.76 111.18 3g0w s ALA 765 Ca -0.13 -0.06 0.11 0.00 0.00 0.00 0.00 51.96 51.89 3g0w s ALA 765 Cb 0.11 0.87 1.02 0.00 0.00 0.00 0.00 23.12 25.12 3g0w s ALA 765 CO 0.72 -0.89 2.06 -1.35 0.00 0.00 0.00 175.76 176.30 3g0w h PRO 766 N 2.06 0.36 -0.65 0.00 0.11 -1.89 -0.61 132.00 131.37 3g0w h PRO 766 Ca -0.26 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.83 3g0w h PRO 766 Cb 1.27 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3g0w h PRO 766 CO 0.31 0.24 0.00 -0.40 -0.21 0.00 0.00 178.00 177.94 3g0w n ASP 767 N -4.48 4.77 -3.05 -2.05 3.85 -1.26 -4.55 116.55 109.77 3g0w n ASP 767 Ca 0.04 -2.52 -0.18 0.00 -0.71 0.00 0.00 54.79 51.42 3g0w n ASP 767 Cb 0.16 -0.59 -0.03 0.00 -1.35 0.00 0.00 41.12 39.31 3g0w n ASP 767 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.20 176.08 3g0w n LEU 768 N 0.99 -1.21 -4.62 -2.12 7.94 -0.24 -4.41 117.00 113.33 3g0w n LEU 768 Ca 0.25 -4.05 -0.36 0.00 -1.11 0.00 0.00 56.01 50.74 3g0w n LEU 768 Cb 0.92 0.70 -0.10 0.00 0.53 0.00 0.00 43.42 45.46 3g0w n LEU 768 CO 0.25 2.00 -0.21 -0.69 -1.11 0.00 0.00 177.39 177.63 3g0w s VAL 769 N -0.22 5.02 -0.31 1.96 1.01 -1.24 -2.60 120.40 124.02 3g0w s VAL 769 Ca 0.33 0.06 -0.16 0.00 0.00 0.00 0.00 61.98 62.22 3g0w s VAL 769 Cb 0.15 -3.32 -0.02 0.00 0.00 0.00 0.00 36.38 33.19 3g0w s VAL 769 CO -0.16 0.38 0.40 -0.36 0.00 0.00 0.00 175.10 175.36 3g0w s PHE 770 N 0.94 3.22 0.60 5.22 0.40 0.54 -4.94 117.98 123.97 3g0w s PHE 770 Ca 0.06 0.24 -0.00 0.00 -0.60 0.00 0.00 56.93 56.63 3g0w s PHE 770 Cb -0.13 -2.67 0.12 0.00 0.51 0.00 0.00 43.02 40.84 3g0w s PHE 770 CO 0.03 -0.35 0.82 0.27 0.70 0.00 0.00 175.22 176.70 3g0w n ASN 771 N 5.43 1.12 -0.32 1.36 0.23 -1.26 -1.75 115.26 120.07 3g0w n ASN 771 Ca -0.08 -1.94 0.00 0.00 -0.53 0.00 0.00 54.58 52.03 3g0w n ASN 771 Cb 0.50 -0.53 0.18 0.00 -2.08 0.00 0.00 39.78 37.84 3g0w n ASN 771 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 3g0w h GLU 772 N 0.00 1.16 -0.39 -3.83 4.39 -1.98 -1.47 114.58 112.45 3g0w h GLU 772 Ca -0.27 -0.07 0.02 0.00 0.34 0.00 0.00 59.36 59.38 3g0w h GLU 772 Cb 1.01 -0.26 -0.03 0.00 -0.10 0.00 0.00 28.75 29.37 3g0w h GLU 772 CO 0.29 0.76 0.22 -0.92 -1.16 0.00 0.00 179.01 178.21 3g0w h TYR 773 N 1.19 0.41 -0.27 4.33 3.20 -2.00 -1.66 116.97 122.17 3g0w h TYR 773 Ca 0.36 0.01 -0.11 0.00 3.14 0.00 0.00 58.73 62.13 3g0w h TYR 773 Cb -0.04 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.09 3g0w h TYR 773 CO -0.00 0.23 -0.29 0.00 -1.64 0.00 0.00 178.16 176.46 3g0w h ARG 774 N 0.44 0.55 -0.87 1.82 3.08 -1.82 0.14 114.38 117.72 3g0w h ARG 774 Ca 0.16 -0.23 0.04 0.00 0.07 0.00 0.00 59.98 60.02 3g0w h ARG 774 Cb 0.03 -0.02 -0.06 0.00 0.08 0.00 0.00 29.97 30.00 3g0w h ARG 774 CO -0.09 0.78 0.56 0.52 -1.07 0.00 0.00 179.97 180.68 3g0w h MET 775 N 0.48 1.03 -0.07 0.04 2.86 -0.90 0.11 114.93 118.47 3g0w h MET 775 Ca 0.06 -0.06 -0.09 0.00 -2.06 0.00 0.00 59.70 57.55 3g0w h MET 775 Cb 0.74 -0.23 0.00 0.00 0.06 0.00 0.00 31.60 32.18 3g0w h MET 775 CO 0.06 0.68 -0.29 1.25 1.06 0.00 0.00 176.91 179.67 3g0w h HIS 776 N 1.06 0.44 -0.13 -0.22 -0.00 -1.02 -2.99 115.15 112.29 3g0w h HIS 776 Ca 0.36 -0.19 -0.01 0.00 -0.00 0.00 0.00 60.37 60.54 3g0w h HIS 776 Cb 0.06 -0.07 -0.01 0.00 -0.00 0.00 0.00 27.41 27.39 3g0w h HIS 776 CO -0.02 0.91 0.04 0.87 -0.00 0.00 0.00 177.93 179.73 3g0w h LYS 777 N -0.16 0.18 0.00 5.26 1.79 -0.49 -1.65 116.57 121.49 3g0w h LYS 777 Ca -0.02 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.44 3g0w h LYS 777 Cb 0.94 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.55 3g0w h LYS 777 CO 0.06 0.16 0.00 -1.13 -1.08 0.00 0.00 179.45 177.46 3g0w n SER 778 N -4.47 0.52 -0.62 0.86 3.41 0.32 -4.30 113.62 109.35 3g0w n SER 778 Ca -0.01 0.60 -0.08 0.00 -0.26 0.00 0.00 58.87 59.12 3g0w n SER 778 Cb 0.12 -0.72 -0.03 0.00 -0.26 0.00 0.00 64.21 63.31 3g0w n SER 778 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3g0w n ARG 779 N -2.04 -0.93 -2.14 4.33 1.74 -0.62 -4.87 116.66 112.12 3g0w n ARG 779 Ca 0.03 0.71 -0.19 0.00 -0.77 0.00 0.00 57.85 57.63 3g0w n ARG 779 Cb 0.27 -4.67 0.03 0.00 -1.02 0.00 0.00 32.46 27.07 3g0w n ARG 779 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 3g0w n MET 780 N -2.02 3.25 -0.03 5.56 0.00 -1.24 -4.89 117.12 117.76 3g0w n MET 780 Ca -0.08 -4.04 -0.08 0.00 0.00 0.00 0.00 57.70 53.50 3g0w n MET 780 Cb 0.36 -2.15 -0.02 0.00 0.00 0.00 0.00 33.22 31.41 3g0w n MET 780 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 175.97 175.05 3g0w h TYR 781 N 2.23 -0.43 -0.92 2.03 3.20 -1.82 0.09 116.97 121.35 3g0w h TYR 781 Ca 0.28 0.03 0.04 0.00 3.14 0.00 0.00 58.73 62.21 3g0w h TYR 781 Cb 1.49 0.22 -0.06 0.00 1.54 0.00 0.00 36.73 39.92 3g0w h TYR 781 CO 0.79 -0.24 0.60 0.66 -1.64 0.00 0.00 178.16 178.32 3g0w h SER 782 N -0.18 0.98 -0.61 -2.11 4.64 -1.90 0.11 113.55 114.48 3g0w h SER 782 Ca 0.12 -0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.35 3g0w h SER 782 Cb 0.36 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 62.21 3g0w h SER 782 CO -0.30 0.66 0.05 1.56 -0.87 0.00 0.00 176.83 177.93 3g0w h GLN 783 N 1.14 1.05 -0.72 4.77 7.50 -1.82 -2.30 115.11 124.73 3g0w h GLN 783 Ca 0.37 -0.31 -0.06 0.00 0.50 0.00 0.00 58.65 59.16 3g0w h GLN 783 Cb 0.04 -0.11 -0.03 0.00 0.05 0.00 0.00 27.48 27.43 3g0w h GLN 783 CO -0.13 1.00 0.23 0.00 -1.50 0.00 0.00 178.83 178.43 3g0w h VAL 785 N 1.06 1.21 -0.20 0.00 2.07 -0.51 0.91 116.25 120.78 3g0w h VAL 785 Ca 0.23 -0.85 -0.14 0.00 0.82 0.00 0.00 66.70 66.76 3g0w h VAL 785 Cb 0.29 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 3g0w h VAL 785 CO -0.01 0.29 -0.47 0.03 0.02 0.00 0.00 177.57 177.44 3g0w h ARG 786 N 0.54 0.52 -0.30 1.57 2.47 -1.07 -1.41 114.38 116.69 3g0w h ARG 786 Ca 0.11 -0.29 -0.14 0.00 -1.26 0.00 0.00 59.98 58.40 3g0w h ARG 786 Cb 0.37 0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 28.70 3g0w h ARG 786 CO 0.01 0.88 -0.38 0.52 0.56 0.00 0.00 179.97 181.56 3g0w h MET 787 N 0.41 0.71 -0.70 0.04 2.86 -0.68 -1.02 114.93 116.55 3g0w h MET 787 Ca 0.02 -0.36 -0.07 0.00 -2.06 0.00 0.00 59.70 57.24 3g0w h MET 787 Cb 0.97 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.61 3g0w h MET 787 CO 0.09 0.97 0.17 -0.09 1.06 0.00 0.00 176.91 179.11 3g0w h ARG 788 N 0.58 1.12 -0.51 1.72 2.43 -0.66 -1.14 114.38 117.93 3g0w h ARG 788 Ca 0.05 -0.27 -0.05 0.00 -0.81 0.00 0.00 59.98 58.90 3g0w h ARG 788 Cb 0.92 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 30.30 3g0w h ARG 788 CO 0.08 0.99 0.11 1.25 -1.51 0.00 0.00 179.97 180.89 3g0w h HIS 789 N 1.07 0.87 -0.76 2.20 2.76 -0.92 -0.93 115.15 119.43 3g0w h HIS 789 Ca 0.22 -0.11 0.02 0.00 -2.20 0.00 0.00 60.37 58.30 3g0w h HIS 789 Cb 0.37 -0.24 -0.04 0.00 1.55 0.00 0.00 27.41 29.04 3g0w h HIS 789 CO 0.03 0.78 0.49 1.25 -1.30 0.00 0.00 177.93 179.18 3g0w h LEU 790 N 0.71 0.83 -0.69 0.26 5.85 -0.84 -1.45 115.31 119.99 3g0w h LEU 790 Ca 0.16 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.83 3g0w h LEU 790 Cb 0.35 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.16 3g0w h LEU 790 CO 0.00 0.58 0.29 -1.28 -0.34 0.00 0.00 178.44 177.70 3g0w h SER 791 N 0.98 0.93 -0.26 1.25 0.87 -0.92 -2.34 113.55 114.06 3g0w h SER 791 Ca 0.29 -0.16 -0.02 0.00 -1.23 0.00 0.00 61.79 60.67 3g0w h SER 791 Cb -0.04 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 61.66 3g0w h SER 791 CO -0.09 0.84 0.10 1.56 -0.53 0.00 0.00 176.83 178.71 3g0w h GLN 792 N 0.97 0.46 0.00 2.24 4.20 -0.49 -2.15 115.11 120.34 3g0w h GLN 792 Ca 0.23 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.86 3g0w h GLN 792 Cb 0.18 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 27.88 3g0w h GLN 792 CO -0.02 0.41 -0.08 0.93 -0.67 0.00 0.00 178.83 179.40 3g0w h GLU 793 N 0.46 0.00 -0.27 1.46 5.08 -0.72 -0.64 114.58 119.94 3g0w h GLU 793 Ca 0.11 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.42 3g0w h GLU 793 Cb 0.14 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 3g0w h GLU 793 CO -0.01 0.08 -0.04 0.74 -1.00 0.00 0.00 179.01 178.78 3g0w h PHE 794 N 0.00 0.44 0.08 4.33 0.04 -1.33 0.33 116.94 120.82 3g0w h PHE 794 Ca -0.00 -0.04 -0.14 0.00 2.80 0.00 0.00 57.97 60.59 3g0w h PHE 794 Cb 0.20 -0.13 0.01 0.00 2.20 0.00 0.00 35.95 38.22 3g0w h PHE 794 CO 0.00 0.47 -0.66 0.78 -0.60 0.00 0.00 178.31 178.30 3g0w h GLY 795 N 0.79 0.18 0.90 -1.45 0.00 -1.30 -0.74 103.07 101.46 3g0w h GLY 795 Ca 0.09 -0.47 0.03 0.00 0.00 0.00 0.00 47.33 46.97 3g0w h GLY 795 CO 0.01 0.41 0.50 1.49 0.00 0.00 0.00 176.54 178.95 3g0w h TRP 796 N -0.63 0.93 -0.00 5.60 6.55 -1.03 -1.73 115.95 125.63 3g0w h TRP 796 Ca -0.14 0.02 0.00 0.00 0.95 0.00 0.00 58.89 59.73 3g0w h TRP 796 Cb 1.41 -0.31 0.00 0.00 -0.86 0.00 0.00 29.16 29.40 3g0w h TRP 796 CO 0.21 0.55 -0.11 1.28 -1.05 0.00 0.00 178.44 179.31 3g0w n LEU 797 N -4.60 0.47 -3.68 -4.49 4.77 0.09 -4.95 117.00 104.63 3g0w n LEU 797 Ca 0.09 0.01 -0.21 0.00 -0.03 0.00 0.00 56.01 55.86 3g0w n LEU 797 Cb 0.07 -0.19 0.04 0.00 -2.33 0.00 0.00 43.42 41.01 3g0w n LEU 797 CO 0.34 0.09 -0.03 0.00 -1.33 0.00 0.00 177.39 176.46 3g0w n GLN 798 N -0.96 -5.19 -1.96 3.23 6.02 -0.65 -4.89 117.38 112.97 3g0w n GLN 798 Ca 0.14 0.65 -0.42 0.00 -0.01 0.00 0.00 57.00 57.36 3g0w n GLN 798 Cb 0.28 -5.29 -0.03 0.00 1.02 0.00 0.00 30.24 26.22 3g0w n GLN 798 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3g0w s ILE 799 N -3.61 2.89 0.59 5.09 -1.09 -0.31 -4.99 121.20 119.76 3g0w s ILE 799 Ca 0.04 0.52 -0.12 0.00 -2.23 0.00 0.00 60.65 58.86 3g0w s ILE 799 Cb -0.02 -3.33 -0.05 0.00 -1.58 0.00 0.00 42.46 37.48 3g0w s ILE 799 CO 0.80 0.02 1.01 0.42 -1.23 0.00 0.00 174.94 175.96 3g0w s THR 800 N 1.82 4.67 0.48 2.92 -4.23 -1.26 -4.90 115.64 115.15 3g0w s THR 800 Ca 0.71 0.94 0.14 0.00 -1.18 0.00 0.00 61.69 62.30 3g0w s THR 800 Cb -0.41 -3.83 0.28 0.00 1.34 0.00 0.00 72.50 69.88 3g0w s THR 800 CO 0.31 -1.01 2.11 -0.65 -0.54 0.00 0.00 174.62 174.84 3g0w h PRO 801 N 0.04 0.18 0.01 3.99 0.11 -1.99 -0.68 132.00 133.65 3g0w h PRO 801 Ca -0.45 -0.01 -0.23 0.00 0.11 0.00 0.00 66.00 65.42 3g0w h PRO 801 Cb 1.19 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3g0w h PRO 801 CO 0.62 0.12 -0.96 1.96 -0.21 0.00 0.00 178.00 179.52 3g0w h GLN 802 N 0.18 0.44 -0.56 1.05 7.50 -1.99 -1.68 115.11 120.05 3g0w h GLN 802 Ca 0.07 -0.48 -0.06 0.00 0.50 0.00 0.00 58.65 58.68 3g0w h GLN 802 Cb 0.06 0.14 -0.02 0.00 0.05 0.00 0.00 27.48 27.71 3g0w h GLN 802 CO -0.01 1.13 0.11 0.93 -1.50 0.00 0.00 178.83 179.50 3g0w h GLU 803 N 0.24 0.91 -0.30 1.46 5.08 -1.78 -1.57 114.58 118.62 3g0w h GLU 803 Ca -0.09 -0.23 0.02 0.00 -1.00 0.00 0.00 59.36 58.06 3g0w h GLU 803 Cb 1.60 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 30.72 3g0w h GLU 803 CO 0.17 0.86 0.16 0.35 -1.00 0.00 0.00 179.01 179.54 3g0w h PHE 804 N 0.80 0.29 -0.55 4.33 3.57 -1.04 -0.00 116.94 124.34 3g0w h PHE 804 Ca 0.17 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.66 3g0w h PHE 804 Cb 0.38 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.00 3g0w h PHE 804 CO 0.03 0.16 0.23 -0.07 -2.23 0.00 0.00 178.31 176.43 3g0w h LEU 805 N 0.32 0.75 -0.63 0.59 3.38 -1.15 -0.15 115.31 118.42 3g0w h LEU 805 Ca 0.12 -0.16 -0.11 0.00 0.09 0.00 0.00 57.88 57.82 3g0w h LEU 805 Cb 0.03 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 3g0w h LEU 805 CO -0.08 0.70 -0.13 0.00 0.09 0.00 0.00 178.44 179.03 3g0w h MET 807 N 0.84 0.84 -0.86 0.00 2.86 -0.82 -1.21 114.93 116.59 3g0w h MET 807 Ca 0.13 -0.26 -0.03 0.00 -2.06 0.00 0.00 59.70 57.48 3g0w h MET 807 Cb 0.67 -0.08 -0.04 0.00 0.06 0.00 0.00 31.60 32.21 3g0w h MET 807 CO 0.05 0.88 0.43 -0.22 1.06 0.00 0.00 176.91 179.11 3g0w h LYS 808 N 0.70 1.21 -0.60 1.72 3.64 -0.93 -0.84 116.57 121.47 3g0w h LYS 808 Ca 0.14 -0.16 -0.06 0.00 -1.27 0.00 0.00 60.65 59.30 3g0w h LYS 808 Cb 0.49 -0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 32.06 3g0w h LYS 808 CO 0.02 0.91 0.15 0.00 -2.27 0.00 0.00 179.45 178.27 3g0w h ALA 809 N 1.27 0.79 -0.39 5.00 0.00 -1.18 -2.24 119.26 122.51 3g0w h ALA 809 Ca 0.30 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 3g0w h ALA 809 Cb 0.08 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3g0w h ALA 809 CO -0.04 0.50 0.23 1.25 0.00 0.00 0.00 179.25 181.19 3g0w h LEU 810 N 0.87 0.45 -1.83 0.00 6.46 -0.66 -1.95 115.31 118.65 3g0w h LEU 810 Ca 0.19 -0.02 0.02 0.00 -0.12 0.00 0.00 57.88 57.95 3g0w h LEU 810 Cb 0.35 -0.11 -0.01 0.00 -0.73 0.00 0.00 40.66 40.15 3g0w h LEU 810 CO 0.00 0.35 0.16 -0.07 -0.62 0.00 0.00 178.44 178.26 3g0w h LEU 811 N 0.53 0.19 -1.49 2.25 3.38 -0.54 -1.31 115.31 118.32 3g0w h LEU 811 Ca 0.14 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 3g0w h LEU 811 Cb -0.02 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 3g0w h LEU 811 CO -0.03 0.14 0.14 0.25 0.09 0.00 0.00 178.44 179.03 3g0w h LEU 812 N 0.23 0.43 -4.09 1.67 5.85 -1.32 -2.74 115.31 115.34 3g0w h LEU 812 Ca 0.10 -0.04 -0.68 0.00 0.84 0.00 0.00 57.88 58.10 3g0w h LEU 812 Cb 0.11 -0.11 -0.30 0.00 0.37 0.00 0.00 40.66 40.73 3g0w h LEU 812 CO -0.02 0.39 0.74 0.49 -0.34 0.00 0.00 178.44 179.70 3g0w n PHE 813 N -4.40 3.17 -0.56 1.25 3.72 -0.50 -4.56 117.46 115.59 3g0w n PHE 813 Ca 0.02 -2.90 0.03 0.00 -0.05 0.00 0.00 57.45 54.55 3g0w n PHE 813 Cb 0.13 -1.32 0.04 0.00 -0.94 0.00 0.00 39.48 37.39 3g0w n PHE 813 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 3g0w n SER 814 N -0.86 1.76 -3.65 4.37 7.64 -1.03 -4.92 113.62 116.93 3g0w n SER 814 Ca 0.60 -2.22 -0.04 0.00 1.01 0.00 0.00 58.87 58.22 3g0w n SER 814 Cb 0.64 -0.14 -0.06 0.00 -1.01 0.00 0.00 64.21 63.63 3g0w n SER 814 CO 0.00 0.00 0.00 -0.51 -3.01 0.00 0.00 175.04 171.52 3g0w s ILE 815 N -1.40 -0.84 0.13 0.44 2.07 -1.26 -0.08 121.20 120.26 3g0w s ILE 815 Ca 0.10 0.08 -0.04 0.00 -1.41 0.00 0.00 60.65 59.37 3g0w s ILE 815 Cb 0.08 -0.85 -0.03 0.00 0.13 0.00 0.00 42.46 41.80 3g0w s ILE 815 CO 0.01 0.03 0.14 0.27 -1.91 0.00 0.00 174.94 173.48 3g0w s ILE 816 N 2.77 0.10 0.27 2.00 -4.36 -0.91 -4.78 121.20 116.29 3g0w s ILE 816 Ca -0.04 -1.67 -0.30 0.00 -0.26 0.00 0.00 60.65 58.38 3g0w s ILE 816 Cb -0.12 -1.87 -0.11 0.00 1.25 0.00 0.00 42.46 41.60 3g0w s ILE 816 CO -0.16 -0.47 1.63 -2.84 0.24 0.00 0.00 174.94 173.33 3g0w s PRO 817 N -3.99 4.12 0.55 0.37 0.02 -1.26 -1.64 135.00 133.17 3g0w s PRO 817 Ca 0.19 2.58 0.29 0.00 0.02 0.00 0.00 61.00 64.08 3g0w s PRO 817 Cb 0.06 -3.04 1.46 0.00 0.02 0.00 0.00 34.50 33.00 3g0w s PRO 817 CO -0.01 -0.66 1.92 -0.24 -0.33 0.00 0.00 177.00 177.68 3g0w h VAL 818 N 3.50 0.57 -0.92 3.83 3.04 -0.04 0.04 116.25 126.26 3g0w h VAL 818 Ca -0.46 0.00 -0.58 0.00 -1.01 0.00 0.00 66.70 64.65 3g0w h VAL 818 Cb 1.22 0.62 -0.29 0.00 -2.01 0.00 0.00 31.29 30.82 3g0w h VAL 818 CO 0.84 0.00 0.59 -0.90 -1.01 0.00 0.00 177.57 177.08 3g0w n ASP 819 N -4.18 5.80 -1.24 3.17 5.75 -1.26 -5.06 116.55 119.52 3g0w n ASP 819 Ca 0.14 -3.73 0.16 0.00 -0.01 0.00 0.00 54.79 51.35 3g0w n ASP 819 Cb 0.79 -0.85 -0.05 0.00 -1.03 0.00 0.00 41.12 39.98 3g0w n ASP 819 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3g0w n GLY 820 N -0.99 -2.13 3.84 6.12 0.00 -0.00 -5.00 105.19 107.02 3g0w n GLY 820 Ca 0.58 -1.19 -0.22 0.00 0.00 0.00 0.00 46.02 45.20 3g0w n GLY 820 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3g0w n LEU 821 N -3.90 0.00 -0.13 0.99 4.77 -1.26 -4.61 117.00 112.86 3g0w n LEU 821 Ca -0.01 -2.61 -0.06 0.00 -0.03 0.00 0.00 56.01 53.29 3g0w n LEU 821 Cb 0.57 -0.29 0.02 0.00 -2.33 0.00 0.00 43.42 41.39 3g0w n LEU 821 CO 0.02 -0.67 1.00 0.11 -1.33 0.00 0.00 177.39 176.51 3g0w h LYS 822 N 0.00 0.41 -2.58 3.23 1.79 -1.96 -3.28 116.57 114.18 3g0w h LYS 822 Ca -0.30 -0.02 -0.60 0.00 -2.18 0.00 0.00 60.65 57.55 3g0w h LYS 822 Cb 1.25 -0.09 -0.40 0.00 -1.58 0.00 0.00 32.23 31.40 3g0w h LYS 822 CO 0.44 0.27 -0.79 -1.71 -1.08 0.00 0.00 179.45 176.58 3g0w n ASN 823 N -4.91 1.43 0.02 0.86 2.85 -1.26 -4.97 115.26 109.28 3g0w n ASN 823 Ca 0.02 -2.86 0.09 0.00 -0.11 0.00 0.00 54.58 51.72 3g0w n ASN 823 Cb 0.10 -0.65 0.51 0.00 1.24 0.00 0.00 39.78 40.98 3g0w n ASN 823 CO 0.00 0.00 0.00 -0.61 -2.11 0.00 0.00 177.26 174.54 3g0w h GLN 824 N 5.18 0.34 -0.67 1.20 5.75 -1.96 -2.90 115.11 122.06 3g0w h GLN 824 Ca 0.19 -0.02 0.01 0.00 -0.15 0.00 0.00 58.65 58.68 3g0w h GLN 824 Cb 0.82 -0.08 -0.03 0.00 1.07 0.00 0.00 27.48 29.26 3g0w h GLN 824 CO 0.57 0.23 0.44 0.87 -2.65 0.00 0.00 178.83 178.28 3g0w h LYS 825 N 0.35 0.86 -0.68 1.69 1.79 -1.93 -0.19 116.57 118.46 3g0w h LYS 825 Ca 0.18 -0.05 -0.05 0.00 -2.18 0.00 0.00 60.65 58.55 3g0w h LYS 825 Cb 0.25 -0.19 -0.03 0.00 -1.58 0.00 0.00 32.23 30.68 3g0w h LYS 825 CO -0.04 0.57 0.24 0.74 -1.08 0.00 0.00 179.45 179.87 3g0w h PHE 826 N 0.88 1.06 -0.26 -1.35 0.04 -1.87 -1.61 116.94 113.83 3g0w h PHE 826 Ca 0.25 -0.10 -0.01 0.00 2.80 0.00 0.00 57.97 60.92 3g0w h PHE 826 Cb -0.08 -0.31 -0.01 0.00 2.20 0.00 0.00 35.95 37.75 3g0w h PHE 826 CO -0.03 0.84 0.14 0.35 -0.60 0.00 0.00 178.31 179.01 3g0w h PHE 827 N 0.97 0.37 -0.87 -0.55 3.57 -1.50 -1.26 116.94 117.66 3g0w h PHE 827 Ca 0.22 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.75 3g0w h PHE 827 Cb 0.26 -0.12 -0.05 0.00 2.79 0.00 0.00 35.95 38.83 3g0w h PHE 827 CO 0.02 0.32 0.56 -0.44 -2.23 0.00 0.00 178.31 176.54 3g0w h ASP 828 N 0.30 0.92 -0.37 0.41 3.32 -0.71 0.47 116.42 120.76 3g0w h ASP 828 Ca 0.09 -0.00 -0.09 0.00 0.02 0.00 0.00 57.03 57.05 3g0w h ASP 828 Cb 0.08 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.42 3g0w h ASP 828 CO -0.01 0.63 -0.11 -0.08 -1.72 0.00 0.00 179.24 177.95 3g0w h GLU 829 N 1.08 0.73 -0.05 3.56 4.81 -1.11 -1.54 114.58 122.05 3g0w h GLU 829 Ca 0.35 -0.29 0.01 0.00 -0.13 0.00 0.00 59.36 59.31 3g0w h GLU 829 Cb 0.04 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 3g0w h GLU 829 CO -0.13 0.89 -0.03 1.25 -0.73 0.00 0.00 179.01 180.26 3g0w h LEU 830 N 0.53 -0.08 -0.40 1.64 5.85 -0.68 -0.79 115.31 121.38 3g0w h LEU 830 Ca 0.09 0.02 0.05 0.00 0.84 0.00 0.00 57.88 58.88 3g0w h LEU 830 Cb 0.63 0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.66 3g0w h LEU 830 CO 0.04 -0.04 0.15 -0.09 -0.34 0.00 0.00 178.44 178.16 3g0w h ARG 831 N -0.02 0.30 -0.68 1.25 2.43 -0.85 -1.50 114.38 115.31 3g0w h ARG 831 Ca 0.03 -0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.22 3g0w h ARG 831 Cb 0.07 -0.07 -0.05 0.00 -0.42 0.00 0.00 29.97 29.50 3g0w h ARG 831 CO -0.07 0.20 0.41 1.98 -1.51 0.00 0.00 179.97 180.98 3g0w h MET 832 N 0.31 0.76 -0.48 0.20 4.05 -0.95 -1.41 114.93 117.41 3g0w h MET 832 Ca 0.18 -0.05 -0.05 0.00 -0.28 0.00 0.00 59.70 59.51 3g0w h MET 832 Cb 0.16 -0.17 -0.02 0.00 -0.80 0.00 0.00 31.60 30.76 3g0w h MET 832 CO -0.18 0.50 0.09 -0.91 0.23 0.00 0.00 176.91 176.64 3g0w h ASN 833 N 0.79 0.69 0.50 1.39 -0.26 -0.55 -1.86 115.58 116.27 3g0w h ASN 833 Ca 0.28 -0.12 -0.13 0.00 -0.56 0.00 0.00 56.30 55.77 3g0w h ASN 833 Cb 0.08 -0.18 -0.02 0.00 -1.06 0.00 0.00 38.32 37.15 3g0w h ASN 833 CO -0.13 0.70 -0.60 1.88 -1.06 0.00 0.00 177.43 178.22 3g0w h TYR 834 N 0.71 0.13 -0.51 1.19 0.05 -0.86 -1.75 116.97 115.92 3g0w h TYR 834 Ca 0.16 -0.05 -0.08 0.00 0.05 0.00 0.00 58.73 58.81 3g0w h TYR 834 Cb 0.30 -0.02 -0.02 0.00 1.01 0.00 0.00 36.73 38.00 3g0w h TYR 834 CO 0.02 0.67 0.01 0.82 -1.05 0.00 0.00 178.16 178.62 3g0w h ILE 835 N 0.07 1.26 -0.60 -2.88 2.04 -0.87 -2.15 117.51 114.38 3g0w h ILE 835 Ca -0.01 -1.08 -0.04 0.00 1.00 0.00 0.00 64.86 64.74 3g0w h ILE 835 Cb 1.07 0.94 -0.03 0.00 -0.74 0.00 0.00 36.82 38.06 3g0w h ILE 835 CO 0.08 0.38 0.21 0.11 0.00 0.00 0.00 178.15 178.94 3g0w h LYS 836 N 0.77 0.89 -0.39 2.37 6.56 -1.12 -2.15 116.57 123.50 3g0w h LYS 836 Ca 0.15 -0.15 -0.04 0.00 -1.06 0.00 0.00 60.65 59.54 3g0w h LYS 836 Cb 0.51 -0.15 -0.02 0.00 -0.57 0.00 0.00 32.23 32.01 3g0w h LYS 836 CO 0.02 0.75 0.09 0.93 -2.06 0.00 0.00 179.45 179.19 3g0w h GLU 837 N 0.87 0.63 -0.92 3.15 4.39 -0.96 -1.70 114.58 120.04 3g0w h GLU 837 Ca 0.20 -0.16 0.06 0.00 0.34 0.00 0.00 59.36 59.80 3g0w h GLU 837 Cb 0.21 -0.08 -0.06 0.00 -0.10 0.00 0.00 28.75 28.72 3g0w h GLU 837 CO -0.01 0.67 0.58 1.25 -1.16 0.00 0.00 179.01 180.33 3g0w h LEU 838 N 0.49 0.93 0.05 1.33 5.85 -1.18 -1.60 115.31 121.18 3g0w h LEU 838 Ca 0.12 0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.87 3g0w h LEU 838 Cb 0.32 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.14 3g0w h LEU 838 CO 0.00 0.60 -0.14 0.44 -0.34 0.00 0.00 178.44 179.00 3g0w h ASP 839 N 1.07 -0.40 -0.91 1.25 3.45 -0.97 -1.24 116.42 118.68 3g0w h ASP 839 Ca 0.39 0.05 0.06 0.00 0.43 0.00 0.00 57.03 57.96 3g0w h ASP 839 Cb 0.15 0.16 -0.06 0.00 -0.56 0.00 0.00 39.33 39.02 3g0w h ASP 839 CO -0.17 -0.21 0.59 0.03 -1.57 0.00 0.00 179.24 177.92 3g0w h ARG 840 N -0.27 1.03 -0.62 3.56 3.08 -0.89 -0.93 114.38 119.34 3g0w h ARG 840 Ca 0.03 -0.06 -0.08 0.00 0.07 0.00 0.00 59.98 59.94 3g0w h ARG 840 Cb 0.30 -0.23 -0.03 0.00 0.08 0.00 0.00 29.97 30.09 3g0w h ARG 840 CO -0.10 0.68 0.09 0.82 -1.07 0.00 0.00 179.97 180.38 3g0w h ILE 841 N 1.06 1.26 -0.08 2.04 2.04 -0.66 0.19 117.51 123.36 3g0w h ILE 841 Ca 0.38 -1.02 -0.16 0.00 1.00 0.00 0.00 64.86 65.06 3g0w h ILE 841 Cb 0.15 0.68 -0.01 0.00 -0.74 0.00 0.00 36.82 36.90 3g0w h ILE 841 CO -0.14 0.38 -0.65 0.16 0.00 0.00 0.00 178.15 177.90 3g0w h ILE 842 N 0.96 1.39 0.00 -0.67 3.07 -0.71 -3.24 117.51 118.31 3g0w h ILE 842 Ca 0.19 -2.06 -0.05 0.00 1.55 0.00 0.00 64.86 64.49 3g0w h ILE 842 Cb 0.43 2.05 -0.01 0.00 -0.27 0.00 0.00 36.82 39.03 3g0w h ILE 842 CO 0.01 0.61 -0.28 0.00 -1.05 0.00 0.00 178.15 177.45 3g0w h ALA 843 N 1.09 0.83 -0.97 0.16 0.00 -0.77 -3.24 119.26 116.36 3g0w h ALA 843 Ca -0.01 -0.23 0.30 0.00 0.00 0.00 0.00 54.91 54.97 3g0w h ALA 843 Cb 1.19 -0.03 -0.18 0.00 0.00 0.00 0.00 17.79 18.77 3g0w h ALA 843 CO 0.11 0.31 0.20 0.00 0.00 0.00 0.00 179.25 179.87 3g0w n LYS 845 N -5.38 0.85 -3.01 0.00 0.00 -1.26 -4.96 118.16 104.40 3g0w n LYS 845 Ca 0.27 -1.01 -0.42 0.00 0.00 0.00 0.00 58.31 57.16 3g0w n LYS 845 Cb 0.89 -0.71 0.00 0.00 0.00 0.00 0.00 35.03 35.21 3g0w n LYS 845 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 3g0w n ARG 846 N -0.24 4.41 0.00 1.64 0.63 -0.96 -5.03 116.66 117.10 3g0w n ARG 846 Ca 0.01 -4.58 0.00 0.00 -0.92 0.00 0.00 57.85 52.37 3g0w n ARG 846 Cb 0.48 -2.49 0.00 0.00 0.45 0.00 0.00 32.46 30.91 3g0w n ARG 846 CO 0.00 0.00 0.00 0.36 -2.51 0.00 0.00 177.63 175.48 3g0w n LYS 847 N 1.17 0.00 -3.38 -0.14 2.85 -1.26 -4.48 118.16 112.92 3g0w n LYS 847 Ca 0.28 0.00 -0.40 0.00 -1.05 0.00 0.00 58.31 57.14 3g0w n LYS 847 Cb 0.33 0.00 -0.09 0.00 -0.65 0.00 0.00 35.03 34.62 3g0w n LYS 847 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 177.40 176.55 3g0w s ASN 848 N 0.00 6.22 0.00 -5.58 0.01 -1.26 -4.97 114.94 109.36 3g0w s ASN 848 Ca 0.00 -0.01 0.00 0.00 -0.71 0.00 0.00 52.86 52.14 3g0w s ASN 848 Cb 0.00 -2.21 0.00 0.00 0.41 0.00 0.00 41.25 39.45 3g0w s ASN 848 CO 0.00 -0.30 0.00 -2.65 -1.51 0.00 0.00 177.10 172.64 3g0w n PRO 849 N 5.42 0.00 -0.37 -0.60 -0.02 -1.26 -1.65 135.00 136.52 3g0w n PRO 849 Ca -0.08 0.00 0.38 0.00 -2.02 0.00 0.00 63.50 61.77 3g0w n PRO 849 Cb 0.50 0.00 0.75 0.00 -0.02 0.00 0.00 33.50 34.73 3g0w n PRO 849 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3g0w h THR 850 N 0.00 0.31 0.17 3.45 1.03 -1.94 0.74 112.91 116.66 3g0w h THR 850 Ca 0.00 0.00 -0.30 0.00 -0.01 0.00 0.00 66.41 66.10 3g0w h THR 850 Cb 0.00 0.32 0.02 0.00 -1.07 0.00 0.00 68.15 67.42 3g0w h THR 850 CO 0.00 0.00 -1.32 -1.28 -0.01 0.00 0.00 175.52 172.91 3g0w h SER 851 N 0.00 0.69 -0.47 0.00 0.87 -1.64 -2.45 113.55 110.55 3g0w h SER 851 Ca 0.61 -0.71 -0.06 0.00 -1.23 0.00 0.00 61.79 60.40 3g0w h SER 851 Cb 2.53 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 64.25 3g0w h SER 851 CO -0.01 1.54 0.07 0.00 -0.53 0.00 0.00 176.83 177.90 3g0w h SER 853 N 0.81 0.51 -0.79 0.00 0.02 -0.93 -0.37 113.55 112.80 3g0w h SER 853 Ca 0.17 -0.38 0.03 0.00 -0.84 0.00 0.00 61.79 60.76 3g0w h SER 853 Cb 0.39 -0.14 -0.05 0.00 0.14 0.00 0.00 62.40 62.74 3g0w h SER 853 CO 0.01 0.78 0.51 -0.09 -1.14 0.00 0.00 176.83 176.90 3g0w h ARG 854 N 0.24 0.98 -0.19 3.45 2.43 -1.20 -1.31 114.38 118.77 3g0w h ARG 854 Ca 0.06 -0.06 -0.18 0.00 -0.81 0.00 0.00 59.98 58.99 3g0w h ARG 854 Cb 0.57 -0.22 -0.00 0.00 -0.42 0.00 0.00 29.97 29.89 3g0w h ARG 854 CO 0.03 0.65 -0.60 -0.09 -1.51 0.00 0.00 179.97 178.44 3g0w h ARG 855 N 1.01 0.64 -0.31 0.20 9.65 -1.09 -2.10 114.38 122.38 3g0w h ARG 855 Ca 0.31 -0.43 -0.10 0.00 -1.10 0.00 0.00 59.98 58.66 3g0w h ARG 855 Cb -0.02 0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 28.61 3g0w h ARG 855 CO -0.10 1.05 -0.24 0.35 2.80 0.00 0.00 179.97 183.82 3g0w h PHE 856 N 0.47 0.68 -0.41 2.20 3.57 -0.88 -1.60 116.94 120.97 3g0w h PHE 856 Ca -0.00 -0.15 -0.03 0.00 3.53 0.00 0.00 57.97 61.31 3g0w h PHE 856 Cb 1.18 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 39.73 3g0w h PHE 856 CO 0.06 0.79 0.12 -0.92 -2.23 0.00 0.00 178.31 176.13 3g0w h TYR 857 N 0.53 0.66 0.16 0.41 3.20 -1.11 -1.05 116.97 119.76 3g0w h TYR 857 Ca 0.07 -0.07 -0.01 0.00 3.14 0.00 0.00 58.73 61.87 3g0w h TYR 857 Cb 0.70 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 38.78 3g0w h TYR 857 CO 0.03 0.61 -0.08 1.96 -1.64 0.00 0.00 178.16 179.04 3g0w h GLN 858 N 0.51 -0.21 -0.79 1.82 4.20 -1.12 -2.46 115.11 117.07 3g0w h GLN 858 Ca 0.13 0.01 -0.05 0.00 0.06 0.00 0.00 58.65 58.81 3g0w h GLN 858 Cb 0.27 0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.06 3g0w h GLN 858 CO -0.00 -0.08 0.30 -0.07 -0.67 0.00 0.00 178.83 178.31 3g0w h LEU 859 N -0.29 1.10 -1.08 1.46 3.38 -1.24 -1.16 115.31 117.47 3g0w h LEU 859 Ca -0.02 -0.18 -0.07 0.00 0.09 0.00 0.00 57.88 57.70 3g0w h LEU 859 Cb 0.23 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 3g0w h LEU 859 CO 0.04 0.98 -0.12 0.71 0.09 0.00 0.00 178.44 180.14 3g0w h THR 860 N 1.15 1.23 -0.41 0.22 1.35 -1.17 0.74 112.91 116.02 3g0w h THR 860 Ca 0.26 -1.02 -0.11 0.00 -0.55 0.00 0.00 66.41 65.00 3g0w h THR 860 Cb 0.23 1.13 -0.01 0.00 -1.73 0.00 0.00 68.15 67.77 3g0w h THR 860 CO -0.02 0.33 -0.16 0.50 -0.25 0.00 0.00 175.52 175.93 3g0w h LYS 861 N 0.48 0.83 -0.16 4.72 1.63 -1.13 -1.03 116.57 121.90 3g0w h LYS 861 Ca 0.09 -0.35 -0.01 0.00 -0.85 0.00 0.00 60.65 59.54 3g0w h LYS 861 Cb 0.49 -0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 32.08 3g0w h LYS 861 CO 0.03 0.98 0.08 1.25 -3.45 0.00 0.00 179.45 178.33 3g0w h LEU 862 N 0.65 0.22 -0.33 5.20 5.85 -0.75 -1.86 115.31 124.29 3g0w h LEU 862 Ca 0.10 -0.13 0.04 0.00 0.84 0.00 0.00 57.88 58.73 3g0w h LEU 862 Cb 0.70 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.64 3g0w h LEU 862 CO 0.05 0.29 0.09 -0.07 -0.34 0.00 0.00 178.44 178.46 3g0w h LEU 863 N 0.13 0.06 -1.29 2.25 3.38 -0.76 -2.08 115.31 117.01 3g0w h LEU 863 Ca 0.06 0.05 0.06 0.00 0.09 0.00 0.00 57.88 58.13 3g0w h LEU 863 Cb 0.13 0.05 -0.05 0.00 0.09 0.00 0.00 40.66 40.88 3g0w h LEU 863 CO -0.01 0.07 0.52 0.44 0.09 0.00 0.00 178.44 179.55 3g0w h ASP 864 N 0.21 0.76 0.23 -0.43 5.19 -1.03 -1.82 116.42 119.53 3g0w h ASP 864 Ca 0.15 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.57 3g0w h ASP 864 Cb 0.15 -0.16 0.00 0.00 0.18 0.00 0.00 39.33 39.50 3g0w h ASP 864 CO -0.18 0.50 0.00 0.77 -3.12 0.00 0.00 179.24 177.20 3g0w h SER 865 N 0.87 0.00 -0.02 6.45 4.64 -0.60 -2.55 113.55 122.34 3g0w h SER 865 Ca 0.34 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.51 3g0w h SER 865 Cb 0.22 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.30 3g0w h SER 865 CO -0.12 0.00 -0.47 0.58 -0.87 0.00 0.00 176.83 175.95 3g0w h VAL 866 N 0.00 1.31 -0.52 0.95 2.07 -1.31 -3.34 116.25 115.41 3g0w h VAL 866 Ca 0.00 -1.68 -0.01 0.00 0.82 0.00 0.00 66.70 65.83 3g0w h VAL 866 Cb 0.12 1.65 -0.02 0.00 -1.52 0.00 0.00 31.29 31.52 3g0w h VAL 866 CO 0.00 0.53 0.27 1.56 0.02 0.00 0.00 177.57 179.95 3g0w h GLN 867 N 0.45 0.73 -0.12 1.57 1.08 -1.59 -1.30 115.11 115.93 3g0w h GLN 867 Ca 0.03 -0.09 -0.07 0.00 -1.45 0.00 0.00 58.65 57.06 3g0w h GLN 867 Cb 1.00 -0.14 -0.01 0.00 -0.05 0.00 0.00 27.48 28.28 3g0w h GLN 867 CO 0.09 0.59 -0.22 -1.35 -0.95 0.00 0.00 178.83 176.98 3g0w h PRO 868 N 0.69 0.21 -0.11 1.46 0.11 -1.73 -1.15 132.00 131.49 3g0w h PRO 868 Ca 0.18 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 66.20 3g0w h PRO 868 Cb 0.08 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 31.16 3g0w h PRO 868 CO -0.03 0.43 -0.03 0.82 -0.21 0.00 0.00 178.00 178.99 3g0w h ILE 869 N 0.20 1.30 -0.77 4.15 2.04 -1.60 -2.07 117.51 120.76 3g0w h ILE 869 Ca 0.03 -0.98 0.00 0.00 1.00 0.00 0.00 64.86 64.91 3g0w h ILE 869 Cb 0.51 1.72 -0.04 0.00 -0.74 0.00 0.00 36.82 38.27 3g0w h ILE 869 CO 0.03 0.28 0.49 0.00 0.00 0.00 0.00 178.15 178.96 3g0w h ALA 870 N 0.68 1.43 -0.23 1.87 0.00 -1.08 -0.53 119.26 121.40 3g0w h ALA 870 Ca 0.03 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3g0w h ALA 870 Cb 0.45 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3g0w h ALA 870 CO 0.01 0.52 0.11 -0.09 0.00 0.00 0.00 179.25 179.80 3g0w h ARG 871 N 1.04 0.34 -0.84 0.00 2.43 -1.04 0.15 114.38 116.46 3g0w h ARG 871 Ca 0.28 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.37 3g0w h ARG 871 Cb -0.10 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.35 3g0w h ARG 871 CO -0.06 0.36 0.44 1.49 -1.51 0.00 0.00 179.97 180.68 3g0w h GLU 872 N 0.24 1.19 -0.59 0.20 4.57 -0.86 0.93 114.58 120.25 3g0w h GLU 872 Ca 0.08 -0.15 -0.10 0.00 -1.18 0.00 0.00 59.36 58.01 3g0w h GLU 872 Cb 0.13 -0.23 -0.02 0.00 -0.16 0.00 0.00 28.75 28.48 3g0w h GLU 872 CO -0.01 0.89 -0.02 -0.07 -1.18 0.00 0.00 179.01 178.62 3g0w h LEU 873 N 1.19 1.04 -0.50 1.64 3.38 -0.85 -1.65 115.31 119.56 3g0w h LEU 873 Ca 0.29 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 3g0w h LEU 873 Cb 0.07 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 3g0w h LEU 873 CO -0.04 1.10 0.26 0.45 0.09 0.00 0.00 178.44 180.30 3g0w h HIS 874 N 0.96 0.70 -0.48 1.13 3.86 -0.01 0.17 115.15 121.48 3g0w h HIS 874 Ca 0.17 -0.03 0.01 0.00 -1.16 0.00 0.00 60.37 59.36 3g0w h HIS 874 Cb 0.58 -0.22 -0.03 0.00 1.06 0.00 0.00 27.41 28.80 3g0w h HIS 874 CO 0.04 0.54 0.30 1.96 0.86 0.00 0.00 177.93 181.63 3g0w h GLN 875 N 0.66 0.59 -0.36 2.45 4.20 -0.64 -0.11 115.11 121.90 3g0w h GLN 875 Ca 0.17 -0.04 -0.04 0.00 0.06 0.00 0.00 58.65 58.81 3g0w h GLN 875 Cb 0.09 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.72 3g0w h GLN 875 CO -0.02 0.39 0.07 0.35 -0.67 0.00 0.00 178.83 178.95 3g0w h PHE 876 N 0.61 0.63 -0.45 2.96 3.04 -1.07 -1.27 116.94 121.39 3g0w h PHE 876 Ca 0.18 -0.08 -0.00 0.00 3.98 0.00 0.00 57.97 62.05 3g0w h PHE 876 Cb -0.03 -0.17 -0.02 0.00 2.56 0.00 0.00 35.95 38.28 3g0w h PHE 876 CO -0.05 0.64 0.27 1.15 -2.02 0.00 0.00 178.31 178.29 3g0w h THR 877 N 0.44 1.14 -0.13 4.41 2.02 -0.78 -0.23 112.91 119.78 3g0w h THR 877 Ca 0.11 -0.30 0.02 0.00 0.77 0.00 0.00 66.41 67.01 3g0w h THR 877 Cb 0.34 0.53 -0.02 0.00 -1.74 0.00 0.00 68.15 67.26 3g0w h THR 877 CO 0.00 0.14 0.02 0.15 0.37 0.00 0.00 175.52 176.20 3g0w h PHE 878 N 0.59 0.02 -0.58 3.16 3.57 -0.82 -0.13 116.94 122.76 3g0w h PHE 878 Ca 0.16 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.68 3g0w h PHE 878 Cb -0.01 0.01 -0.03 0.00 2.79 0.00 0.00 35.95 38.70 3g0w h PHE 878 CO -0.03 0.00 0.38 -0.44 -2.23 0.00 0.00 178.31 175.99 3g0w h ASP 879 N 0.07 0.65 -0.75 0.41 3.32 -0.99 -2.42 116.42 116.70 3g0w h ASP 879 Ca 0.06 -0.01 -0.05 0.00 0.02 0.00 0.00 57.03 57.04 3g0w h ASP 879 Cb 0.06 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.42 3g0w h ASP 879 CO -0.09 0.47 0.27 0.25 -1.72 0.00 0.00 179.24 178.42 3g0w h LEU 880 N 0.77 1.07 -0.32 1.55 5.85 -0.73 -2.41 115.31 121.09 3g0w h LEU 880 Ca 0.22 -0.19 0.01 0.00 0.84 0.00 0.00 57.88 58.75 3g0w h LEU 880 Cb -0.07 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.67 3g0w h LEU 880 CO -0.06 0.97 0.20 0.25 -0.34 0.00 0.00 178.44 179.47 3g0w h LEU 881 N 1.10 0.35 -0.78 2.25 5.85 -0.68 0.63 115.31 124.03 3g0w h LEU 881 Ca 0.25 -0.01 0.05 0.00 0.84 0.00 0.00 57.88 59.01 3g0w h LEU 881 Cb 0.26 -0.08 -0.06 0.00 0.37 0.00 0.00 40.66 41.16 3g0w h LEU 881 CO -0.01 0.25 0.48 0.40 -0.34 0.00 0.00 178.44 179.22 3g0w h ILE 882 N 0.42 1.05 -0.49 4.05 1.08 -1.21 -2.29 117.51 120.11 3g0w h ILE 882 Ca 0.12 -0.31 0.00 0.00 -0.39 0.00 0.00 64.86 64.28 3g0w h ILE 882 Cb -0.04 0.07 0.00 0.00 -3.07 0.00 0.00 36.82 33.79 3g0w h ILE 882 CO -0.03 0.16 0.00 2.29 -0.69 0.00 0.00 178.15 179.88 3g0w n LYS 883 N -4.66 2.43 -0.28 2.37 2.85 -0.93 -4.67 118.16 115.29 3g0w n LYS 883 Ca 0.10 -2.20 0.08 0.00 -1.05 0.00 0.00 58.31 55.25 3g0w n LYS 883 Cb 0.15 -1.50 0.21 0.00 -0.65 0.00 0.00 35.03 33.24 3g0w n LYS 883 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 3g0w h SER 884 N 3.94 -0.19 -0.34 -5.58 4.64 0.88 0.16 113.55 117.07 3g0w h SER 884 Ca 0.00 0.19 0.06 0.00 -0.47 0.00 0.00 61.79 61.58 3g0w h SER 884 Cb 0.88 0.31 -0.02 0.00 -0.31 0.00 0.00 62.40 63.26 3g0w h SER 884 CO 0.00 -0.16 0.23 1.12 -0.87 0.00 0.00 176.83 177.15 3g0w h HIS 885 N 0.16 0.18 0.00 4.77 -0.00 -1.82 -2.13 115.15 116.31 3g0w h HIS 885 Ca 0.47 0.00 -0.05 0.00 -0.00 0.00 0.00 60.37 60.79 3g0w h HIS 885 Cb 0.88 -0.06 -0.01 0.00 -0.00 0.00 0.00 27.41 28.23 3g0w h HIS 885 CO -0.35 0.09 -0.24 0.52 -0.00 0.00 0.00 177.93 177.95 3g0w h MET 886 N 0.18 0.00 -0.29 5.12 2.86 -1.32 -3.32 114.93 118.16 3g0w h MET 886 Ca 0.15 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.79 3g0w h MET 886 Cb 0.38 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.04 3g0w h MET 886 CO -0.02 0.24 0.00 1.33 1.06 0.00 0.00 176.91 179.52 3g0w n VAL 887 N -3.19 0.99 -2.40 -2.22 0.24 -0.84 -4.98 118.33 105.93 3g0w n VAL 887 Ca 0.03 -1.00 -0.19 0.00 -2.04 0.00 0.00 64.34 61.14 3g0w n VAL 887 Cb 0.60 0.51 -0.01 0.00 -1.47 0.00 0.00 33.84 33.47 3g0w n VAL 887 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 3g0w n SER 888 N 0.35 -5.38 -4.76 -1.34 7.64 -0.95 -4.65 113.62 104.54 3g0w n SER 888 Ca 0.10 -0.04 -0.37 0.00 1.01 0.00 0.00 58.87 59.57 3g0w n SER 888 Cb 0.40 -4.42 -0.07 0.00 -1.01 0.00 0.00 64.21 59.11 3g0w n SER 888 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3g0w s VAL 889 N -2.94 5.24 -0.21 0.44 1.01 -1.09 -4.84 120.40 118.01 3g0w s VAL 889 Ca 0.02 0.67 -0.11 0.00 0.00 0.00 0.00 61.98 62.56 3g0w s VAL 889 Cb -0.01 -3.67 -0.05 0.00 0.00 0.00 0.00 36.38 32.65 3g0w s VAL 889 CO 0.03 0.43 0.18 -1.81 0.00 0.00 0.00 175.10 173.92 3g0w s ASP 890 N 0.11 6.22 -0.20 3.32 1.01 -1.26 -4.63 116.67 121.23 3g0w s ASP 890 Ca 0.20 0.24 -0.03 0.00 0.71 0.00 0.00 52.55 53.67 3g0w s ASP 890 Cb -0.14 -2.12 -0.01 0.00 1.01 0.00 0.00 42.92 41.67 3g0w s ASP 890 CO 0.07 0.11 -0.07 -0.36 0.21 0.00 0.00 175.17 175.13 3g0w s PHE 891 N 0.70 2.92 0.67 4.23 0.40 -1.26 -4.63 117.98 121.01 3g0w s PHE 891 Ca 0.10 -0.98 -0.17 0.00 -0.60 0.00 0.00 56.93 55.27 3g0w s PHE 891 Cb -0.12 -2.05 0.01 0.00 0.51 0.00 0.00 43.02 41.36 3g0w s PHE 891 CO 0.02 -0.53 1.24 -2.14 0.70 0.00 0.00 175.22 174.50 3g0w s PRO 892 N 1.30 2.46 0.26 0.24 0.02 -1.26 -4.71 135.00 133.31 3g0w s PRO 892 Ca 0.04 1.88 -0.02 0.00 0.02 0.00 0.00 61.00 62.91 3g0w s PRO 892 Cb -0.14 -1.86 0.52 0.00 0.02 0.00 0.00 34.50 33.04 3g0w s PRO 892 CO -0.03 -1.62 1.73 1.49 -0.33 0.00 0.00 177.00 178.23 3g0w h GLU 893 N 0.25 0.44 -0.58 5.54 4.81 -1.99 -0.02 114.58 123.03 3g0w h GLU 893 Ca -0.49 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 58.70 3g0w h GLU 893 Cb 1.31 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 30.56 3g0w h GLU 893 CO 0.52 0.29 0.32 1.98 -0.73 0.00 0.00 179.01 181.39 3g0w h MET 894 N 0.45 0.80 -0.05 1.92 4.05 -2.00 -1.83 114.93 118.27 3g0w h MET 894 Ca 0.45 -0.08 -0.04 0.00 -0.28 0.00 0.00 59.70 59.75 3g0w h MET 894 Cb 0.72 -0.16 0.00 0.00 -0.80 0.00 0.00 31.60 31.36 3g0w h MET 894 CO -0.43 0.58 -0.14 0.52 0.23 0.00 0.00 176.91 177.68 3g0w h MET 895 N 0.81 0.19 -0.99 0.39 2.86 -1.41 -2.75 114.93 114.03 3g0w h MET 895 Ca 0.21 -0.13 0.16 0.00 -2.06 0.00 0.00 59.70 57.88 3g0w h MET 895 Cb 0.01 0.02 -0.09 0.00 0.06 0.00 0.00 31.60 31.60 3g0w h MET 895 CO -0.03 0.74 0.62 0.00 1.06 0.00 0.00 176.91 179.29 3g0w h ALA 896 N 0.45 1.68 0.15 6.32 0.00 -0.91 0.07 119.26 127.02 3g0w h ALA 896 Ca -0.00 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3g0w h ALA 896 Cb 0.75 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.41 3g0w h ALA 896 CO 0.03 0.00 -0.07 1.49 0.00 0.00 0.00 179.25 180.70 3g0w h GLU 897 N 0.81 -0.19 -0.75 0.00 4.57 -1.32 -2.32 114.58 115.38 3g0w h GLU 897 Ca 0.53 0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 58.69 3g0w h GLU 897 Cb 0.77 0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 29.37 3g0w h GLU 897 CO -0.31 0.15 0.35 0.82 -1.18 0.00 0.00 179.01 178.84 3g0w h ILE 898 N -0.55 1.24 0.00 2.32 2.04 -1.13 -0.33 117.51 121.10 3g0w h ILE 898 Ca -0.02 -0.70 -0.09 0.00 1.00 0.00 0.00 64.86 65.05 3g0w h ILE 898 Cb 0.43 0.32 -0.01 0.00 -0.74 0.00 0.00 36.82 36.81 3g0w h ILE 898 CO 0.03 0.29 -0.42 0.40 0.00 0.00 0.00 178.15 178.46 3g0w h ILE 899 N 1.06 1.19 0.00 -0.67 2.04 -1.03 -0.47 117.51 119.63 3g0w h ILE 899 Ca 0.26 -1.49 -0.04 0.00 1.00 0.00 0.00 64.86 64.58 3g0w h ILE 899 Cb 0.14 1.83 -0.01 0.00 -0.74 0.00 0.00 36.82 38.04 3g0w h ILE 899 CO -0.03 0.41 -1.42 -1.54 0.00 0.00 0.00 178.15 175.57 3g0w n SER 900 N -3.88 0.57 -0.11 1.72 3.41 -0.87 -3.95 113.62 110.51 3g0w n SER 900 Ca -0.01 0.23 -0.23 0.00 -0.26 0.00 0.00 58.87 58.60 3g0w n SER 900 Cb 0.47 0.87 -0.08 0.00 -0.26 0.00 0.00 64.21 65.20 3g0w n SER 900 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 3g0w n VAL 901 N -2.60 1.23 -0.05 -3.33 0.31 -0.16 -4.67 118.33 109.06 3g0w n VAL 901 Ca -0.04 -0.34 -0.22 0.00 -0.01 0.00 0.00 64.34 63.73 3g0w n VAL 901 Cb 0.63 -1.72 -0.13 0.00 -0.91 0.00 0.00 33.84 31.71 3g0w n VAL 901 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3g0w n GLN 902 N -3.87 0.67 -0.33 5.55 1.13 -0.26 -4.42 117.38 115.84 3g0w n GLN 902 Ca -0.43 0.38 0.02 0.00 -1.94 0.00 0.00 57.00 55.03 3g0w n GLN 902 Cb 0.83 -1.70 0.20 0.00 0.11 0.00 0.00 30.24 29.67 3g0w n GLN 902 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 3g0w h VAL 903 N -0.40 1.12 0.00 5.09 2.07 -1.47 -1.96 116.25 120.70 3g0w h VAL 903 Ca -0.42 -0.39 -0.03 0.00 0.82 0.00 0.00 66.70 66.68 3g0w h VAL 903 Cb 1.72 -0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 31.38 3g0w h VAL 903 CO -0.07 0.21 -0.14 -0.65 0.02 0.00 0.00 177.57 176.94 3g0w h PRO 904 N 1.13 0.00 -0.26 1.57 0.11 -1.78 -0.91 132.00 131.86 3g0w h PRO 904 Ca 0.39 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.47 3g0w h PRO 904 Cb 0.10 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.19 3g0w h PRO 904 CO -0.13 0.14 0.03 0.87 -0.21 0.00 0.00 178.00 178.70 3g0w h LYS 905 N 0.00 0.38 0.00 1.05 1.57 -1.56 0.16 116.57 118.17 3g0w h LYS 905 Ca -0.00 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.71 3g0w h LYS 905 Cb 0.40 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.64 3g0w h LYS 905 CO 0.02 0.39 -0.02 0.82 -0.57 0.00 0.00 179.45 180.09 3g0w h ILE 906 N 0.38 1.64 0.00 1.86 2.04 -1.22 0.18 117.51 122.38 3g0w h ILE 906 Ca 0.09 -1.91 -0.04 0.00 1.00 0.00 0.00 64.86 64.00 3g0w h ILE 906 Cb 0.21 2.94 -0.01 0.00 -0.74 0.00 0.00 36.82 39.22 3g0w h ILE 906 CO 0.00 0.50 -0.17 -0.07 0.00 0.00 0.00 178.15 178.41 3g0w h LEU 907 N -0.79 0.00 -0.23 1.44 3.38 -1.12 -2.03 115.31 115.95 3g0w h LEU 907 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3g0w h LEU 907 Cb 0.83 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.58 3g0w h LEU 907 CO 0.00 0.17 -0.28 -1.54 0.09 0.00 0.00 178.44 176.89 3g0w n SER 908 N -4.17 0.64 0.00 -0.43 3.41 0.55 -4.95 113.62 108.67 3g0w n SER 908 Ca -0.02 -0.49 0.00 0.00 -0.26 0.00 0.00 58.87 58.10 3g0w n SER 908 Cb 0.24 0.06 0.00 0.00 -0.26 0.00 0.00 64.21 64.26 3g0w n SER 908 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3g0w n GLY 909 N 1.39 0.74 0.14 5.00 0.00 -0.76 -4.94 105.19 106.76 3g0w n GLY 909 Ca 0.10 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.11 3g0w n GLY 909 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3g0w h LYS 910 N 2.85 0.00 -4.78 1.61 1.57 -0.95 -3.42 116.57 113.44 3g0w h LYS 910 Ca 0.00 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 58.21 3g0w h LYS 910 Cb 0.00 0.00 -0.34 0.00 0.08 0.00 0.00 32.23 31.97 3g0w h LYS 910 CO 0.00 0.61 -0.83 0.14 -0.57 0.00 0.00 179.45 178.79 3g0w s VAL 911 N -3.64 1.43 0.11 0.50 -7.23 -0.35 0.69 120.40 111.90 3g0w s VAL 911 Ca -0.01 -0.64 0.04 0.00 -1.81 0.00 0.00 61.98 59.56 3g0w s VAL 911 Cb 0.13 -1.28 -0.04 0.00 0.56 0.00 0.00 36.38 35.75 3g0w s VAL 911 CO 0.76 0.42 -0.11 -1.59 -0.31 0.00 0.00 175.10 174.27 3g0w s LYS 912 N 0.63 0.91 0.66 4.82 0.00 -0.65 -4.35 119.74 121.76 3g0w s LYS 912 Ca -0.14 -1.22 -0.15 0.00 0.00 0.00 0.00 55.97 54.46 3g0w s LYS 912 Cb -0.16 -0.62 -0.00 0.00 0.00 0.00 0.00 37.83 37.05 3g0w s LYS 912 CO 0.04 0.10 1.11 -2.14 0.00 0.00 0.00 175.35 174.46 3g0w s PRO 913 N -2.93 2.81 -0.44 1.78 0.02 -1.26 -2.14 135.00 132.85 3g0w s PRO 913 Ca 0.08 1.38 -0.15 0.00 0.02 0.00 0.00 61.00 62.33 3g0w s PRO 913 Cb -0.02 -1.95 0.05 0.00 0.02 0.00 0.00 34.50 32.59 3g0w s PRO 913 CO 0.01 -1.24 0.35 0.42 -0.33 0.00 0.00 177.00 176.21 3g0w s ILE 914 N -2.35 5.24 0.13 2.83 1.01 0.88 -4.89 121.20 124.05 3g0w s ILE 914 Ca 0.67 -0.84 -0.12 0.00 0.00 0.00 0.00 60.65 60.36 3g0w s ILE 914 Cb -0.20 -4.03 -0.06 0.00 0.01 0.00 0.00 42.46 38.17 3g0w s ILE 914 CO 0.42 -0.45 0.48 -0.31 0.00 0.00 0.00 174.94 175.08 3g0w s TYR 915 N 1.69 3.58 -0.00 3.97 1.51 -1.26 -4.88 117.35 121.94 3g0w s TYR 915 Ca 0.05 0.92 -0.20 0.00 -1.01 0.00 0.00 57.07 56.82 3g0w s TYR 915 Cb -0.21 -2.26 -0.23 0.00 -0.11 0.00 0.00 41.96 39.14 3g0w s TYR 915 CO 0.09 0.45 1.09 0.74 -1.11 0.00 0.00 175.55 176.81 3g0w h PHE 916 N 3.50 0.56 -0.93 2.71 0.04 -1.97 -3.47 116.94 117.38 3g0w h PHE 916 Ca -0.49 -0.30 -0.52 0.00 2.80 0.00 0.00 57.97 59.46 3g0w h PHE 916 Cb 1.19 -0.06 -0.01 0.00 2.20 0.00 0.00 35.95 39.26 3g0w h PHE 916 CO 0.65 1.12 -0.24 -1.01 -0.60 0.00 0.00 178.31 178.23 3g0w s HIS 917 N -3.20 1.89 0.00 -0.55 3.76 -1.26 -5.14 115.29 110.78 3g0w s HIS 917 Ca -0.14 -0.69 0.00 0.00 -0.15 0.00 0.00 55.06 54.09 3g0w s HIS 917 Cb 0.03 -2.11 0.00 0.00 1.11 0.00 0.00 32.58 31.61 3g0w s HIS 917 CO 0.81 -0.63 0.00 2.41 -0.85 0.00 0.00 174.74 176.48