#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qts s SER 693 N 0.00 6.53 0.92 1.61 0.01 -1.26 -5.00 113.70 116.51 1qts s SER 693 Ca 0.00 2.88 -0.12 0.00 1.31 0.00 0.00 55.95 60.02 1qts s SER 693 Cb 0.00 -2.66 0.14 0.00 0.21 0.00 0.00 66.02 63.71 1qts s SER 693 CO 0.00 -0.74 1.10 -2.16 0.41 0.00 0.00 173.24 171.86 1qts s PRO 694 N -1.76 1.10 0.00 12.44 0.04 -1.26 -4.96 135.00 140.61 1qts s PRO 694 Ca 0.52 0.59 0.00 0.00 0.04 0.00 0.00 61.00 62.15 1qts s PRO 694 Cb -0.44 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 32.29 1qts s PRO 694 CO 0.57 -2.29 0.00 0.41 0.04 0.00 0.00 177.00 175.73 1qts n GLY 695 N -1.49 -0.66 3.70 0.56 0.00 -1.26 -4.92 105.19 101.12 1qts n GLY 695 Ca 0.06 -1.67 -0.42 0.00 0.00 0.00 0.00 46.02 43.99 1qts n GLY 695 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qts s ILE 696 N -2.37 2.58 -1.09 -0.61 1.01 -1.26 -4.92 121.20 114.54 1qts s ILE 696 Ca 0.00 0.15 -0.07 0.00 0.00 0.00 0.00 60.65 60.74 1qts s ILE 696 Cb 0.00 -3.10 0.29 0.00 0.01 0.00 0.00 42.46 39.66 1qts s ILE 696 CO 0.00 0.00 1.27 0.54 0.00 0.00 0.00 174.94 176.76 1qts n ARG 697 N 5.37 3.94 -3.60 2.79 5.12 -1.26 -4.86 116.66 124.16 1qts n ARG 697 Ca 0.17 -4.51 -0.20 0.00 -1.93 0.00 0.00 57.85 51.38 1qts n ARG 697 Cb 0.38 -2.53 -0.15 0.00 -1.16 0.00 0.00 32.46 29.00 1qts n ARG 697 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 1qts s LEU 698 N -1.98 0.06 0.00 0.55 2.96 -1.26 -4.72 118.68 114.29 1qts s LEU 698 Ca 0.31 -0.12 0.00 0.00 -0.22 0.00 0.00 54.13 54.10 1qts s LEU 698 Cb -0.03 0.11 0.00 0.00 0.50 0.00 0.00 46.19 46.77 1qts s LEU 698 CO 0.00 -0.30 0.00 0.61 -1.32 0.00 0.00 176.35 175.34 1qts n GLY 699 N 5.31 0.55 4.00 7.98 0.00 -1.26 -5.04 105.19 116.73 1qts n GLY 699 Ca -0.05 -0.65 -0.23 0.00 0.00 0.00 0.00 46.02 45.09 1qts n GLY 699 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1qts s SER 700 N -2.59 4.48 0.00 1.61 1.04 -1.26 -4.99 113.70 111.99 1qts s SER 700 Ca 0.00 -0.46 0.21 0.00 0.48 0.00 0.00 55.95 56.18 1qts s SER 700 Cb 0.00 0.05 0.99 0.00 0.10 0.00 0.00 66.02 67.16 1qts s SER 700 CO 0.00 -1.77 1.67 -1.54 0.98 0.00 0.00 173.24 172.58 1qts n SER 701 N -2.73 0.00 -1.07 7.02 3.41 -1.26 -3.48 113.62 115.52 1qts n SER 701 Ca 0.15 0.20 0.05 0.00 -0.26 0.00 0.00 58.87 59.01 1qts n SER 701 Cb 0.61 -0.38 0.10 0.00 -0.26 0.00 0.00 64.21 64.28 1qts n SER 701 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 1qts n GLU 702 N -1.38 0.67 -0.23 4.33 0.28 -1.26 -0.49 120.64 122.57 1qts n GLU 702 Ca 0.08 -2.51 0.03 0.00 -0.16 0.00 0.00 57.16 54.60 1qts n GLU 702 Cb 0.20 -0.71 0.13 0.00 1.43 0.00 0.00 31.44 32.49 1qts n GLU 702 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 177.13 176.53 1qts h ASP 703 N 0.94 -0.26 -0.19 -1.84 5.19 -1.87 -2.59 116.42 115.80 1qts h ASP 703 Ca -0.12 0.17 0.00 0.00 -0.62 0.00 0.00 57.03 56.45 1qts h ASP 703 Cb 1.50 0.29 0.00 0.00 0.18 0.00 0.00 39.33 41.29 1qts h ASP 703 CO 0.05 -0.13 0.00 0.59 -3.12 0.00 0.00 179.24 176.64 1qts n ASN 704 N -5.28 2.73 -0.17 6.45 3.02 -1.26 -4.77 115.26 115.97 1qts n ASN 704 Ca 0.11 -2.26 -0.02 0.00 -0.03 0.00 0.00 54.58 52.38 1qts n ASN 704 Cb 0.41 -0.23 0.07 0.00 -0.61 0.00 0.00 39.78 39.43 1qts n ASN 704 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 1qts h PHE 705 N 1.16 0.15 0.00 3.10 3.57 -1.77 -1.76 116.94 121.40 1qts h PHE 705 Ca 0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1qts h PHE 705 Cb 0.79 0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.54 1qts h PHE 705 CO 0.18 -0.02 0.00 0.00 -2.23 0.00 0.00 178.31 176.24 1qts h ALA 706 N 1.41 1.00 0.00 2.41 0.00 -1.86 -2.03 119.26 120.19 1qts h ALA 706 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1qts h ALA 706 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1qts h ALA 706 CO -0.34 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.45 1qts n ARG 707 N -2.49 0.52 -0.25 0.00 1.74 -0.66 -3.38 116.66 112.14 1qts n ARG 707 Ca -0.00 0.01 0.09 0.00 -0.77 0.00 0.00 57.85 57.18 1qts n ARG 707 Cb 0.15 -1.50 0.18 0.00 -1.02 0.00 0.00 32.46 30.27 1qts n ARG 707 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1qts n PHE 708 N -1.23 0.29 0.03 -1.55 3.01 -0.76 -4.39 117.46 112.86 1qts n PHE 708 Ca 0.15 -1.05 -0.22 0.00 1.01 0.00 0.00 57.45 57.35 1qts n PHE 708 Cb 0.20 -0.22 -0.14 0.00 -0.01 0.00 0.00 39.48 39.31 1qts n PHE 708 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 1qts h VAL 709 N 0.58 0.91 -0.37 -4.37 2.07 -1.70 -3.38 116.25 109.98 1qts h VAL 709 Ca 0.01 -2.43 0.00 0.00 0.82 0.00 0.00 66.70 65.10 1qts h VAL 709 Cb 1.14 2.68 0.00 0.00 -1.52 0.00 0.00 31.29 33.59 1qts h VAL 709 CO 0.07 0.80 0.00 0.00 0.02 0.00 0.00 177.57 178.46 1qts s LYS 711 N -1.11 0.74 -0.01 0.00 -2.85 -1.26 -4.33 119.74 110.92 1qts s LYS 711 Ca 0.30 -1.05 0.11 0.00 -1.00 0.00 0.00 55.97 54.33 1qts s LYS 711 Cb 0.17 0.29 -0.17 0.00 -2.06 0.00 0.00 37.83 36.06 1qts s LYS 711 CO 0.23 -0.20 0.25 0.09 0.10 0.00 0.00 175.35 175.82 1qts n ASN 712 N 0.04 2.40 -4.54 0.03 3.02 -1.26 -4.45 115.26 110.51 1qts n ASN 712 Ca -0.15 -0.04 -0.32 0.00 -0.03 0.00 0.00 54.58 54.05 1qts n ASN 712 Cb 0.62 1.48 -0.11 0.00 -0.61 0.00 0.00 39.78 41.15 1qts n ASN 712 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1qts s ASN 713 N -3.20 4.31 0.00 6.41 0.02 -1.26 -3.34 114.94 117.88 1qts s ASN 713 Ca -0.04 -0.23 0.00 0.00 -1.02 0.00 0.00 52.86 51.57 1qts s ASN 713 Cb 0.07 -0.91 0.00 0.00 0.02 0.00 0.00 41.25 40.43 1qts s ASN 713 CO 0.45 0.28 0.00 0.61 0.02 0.00 0.00 177.10 178.47 1qts n GLY 714 N 1.64 -0.38 3.61 0.66 0.00 -0.87 -4.98 105.19 104.87 1qts n GLY 714 Ca -0.16 -1.62 -0.41 0.00 0.00 0.00 0.00 46.02 43.84 1qts n GLY 714 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qts s VAL 715 N -2.09 4.98 -0.02 1.61 1.01 -1.26 -0.55 120.40 124.08 1qts s VAL 715 Ca 0.00 0.90 -0.08 0.00 0.00 0.00 0.00 61.98 62.81 1qts s VAL 715 Cb 0.00 -3.94 -0.30 0.00 0.00 0.00 0.00 36.38 32.14 1qts s VAL 715 CO 0.00 -0.05 0.77 0.25 0.00 0.00 0.00 175.10 176.06 1qts h LEU 716 N 9.01 0.53 -7.35 3.92 5.85 -1.07 -3.48 115.31 122.72 1qts h LEU 716 Ca -0.27 -0.75 -0.12 0.00 0.84 0.00 0.00 57.88 57.58 1qts h LEU 716 Cb 1.12 -0.17 -0.23 0.00 0.37 0.00 0.00 40.66 41.76 1qts h LEU 716 CO 0.77 1.63 -0.22 0.12 -0.34 0.00 0.00 178.44 180.40 1qts s PHE 717 N -2.60 -0.39 -0.16 1.25 5.36 -1.08 -4.39 117.98 115.97 1qts s PHE 717 Ca -0.12 0.87 -0.07 0.00 -0.96 0.00 0.00 56.93 56.65 1qts s PHE 717 Cb 0.06 0.15 0.07 0.00 -0.34 0.00 0.00 43.02 42.97 1qts s PHE 717 CO 0.86 -0.29 0.36 -2.00 -1.46 0.00 0.00 175.22 172.69 1qts s GLU 718 N -0.30 0.28 0.00 10.12 2.12 -1.26 -0.23 118.70 129.43 1qts s GLU 718 Ca -0.04 0.86 0.00 0.00 0.36 0.00 0.00 54.97 56.15 1qts s GLU 718 Cb -0.03 0.12 0.00 0.00 0.26 0.00 0.00 34.13 34.47 1qts s GLU 718 CO 0.02 -0.23 0.00 0.27 -0.54 0.00 0.00 175.26 174.78 1qts n ASN 719 N 5.04 1.04 -0.10 -1.70 0.23 -0.37 -5.01 115.26 114.38 1qts n ASN 719 Ca -0.12 0.00 0.14 0.00 -0.53 0.00 0.00 54.58 54.06 1qts n ASN 719 Cb 0.51 0.00 0.57 0.00 -2.08 0.00 0.00 39.78 38.78 1qts n ASN 719 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1qts n GLN 720 N 0.00 0.58 -0.06 -3.83 6.02 -1.26 -4.08 117.38 114.75 1qts n GLN 720 Ca 0.00 -0.21 -0.07 0.00 -0.01 0.00 0.00 57.00 56.71 1qts n GLN 720 Cb 0.00 -1.50 -0.06 0.00 1.02 0.00 0.00 30.24 29.70 1qts n GLN 720 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1qts n LEU 721 N -1.03 2.06 -3.96 1.08 4.77 -1.26 -4.76 117.00 113.90 1qts n LEU 721 Ca 0.13 -0.05 -0.18 0.00 -0.03 0.00 0.00 56.01 55.88 1qts n LEU 721 Cb 0.29 -0.23 -0.15 0.00 -2.33 0.00 0.00 43.42 41.00 1qts n LEU 721 CO 0.25 0.56 -0.42 -0.22 -1.33 0.00 0.00 177.39 176.24 1qts s LEU 722 N -5.41 1.77 -0.11 2.23 2.96 -1.26 -0.91 118.68 117.96 1qts s LEU 722 Ca -0.13 -0.14 0.00 0.00 -0.22 0.00 0.00 54.13 53.65 1qts s LEU 722 Cb 0.04 -0.41 -0.02 0.00 0.50 0.00 0.00 46.19 46.29 1qts s LEU 722 CO 0.32 0.04 -0.11 -1.58 -1.32 0.00 0.00 176.35 173.70 1qts s GLN 723 N 0.21 3.15 -0.23 1.98 0.74 -0.41 -1.23 119.66 123.86 1qts s GLN 723 Ca -0.03 -0.65 -0.02 0.00 0.05 0.00 0.00 55.36 54.71 1qts s GLN 723 Cb -0.07 -2.60 0.01 0.00 1.10 0.00 0.00 33.01 31.45 1qts s GLN 723 CO -0.00 0.37 -0.08 0.42 -0.55 0.00 0.00 175.29 175.45 1qts s ILE 724 N -0.03 2.93 0.29 -2.34 1.01 0.68 -0.58 121.20 123.16 1qts s ILE 724 Ca -0.02 -0.81 0.09 0.00 0.00 0.00 0.00 60.65 59.90 1qts s ILE 724 Cb -0.14 -2.39 -0.04 0.00 0.01 0.00 0.00 42.46 39.90 1qts s ILE 724 CO 0.04 0.34 0.04 -0.83 0.00 0.00 0.00 174.94 174.53 1qts s GLY 725 N 1.38 1.77 0.04 6.18 0.00 -0.07 -0.42 107.32 116.19 1qts s GLY 725 Ca 0.03 -1.72 0.04 0.00 0.00 0.00 0.00 44.72 43.06 1qts s GLY 725 CO -0.05 -1.74 -0.11 1.08 0.00 0.00 0.00 173.10 172.28 1qts s LEU 726 N -3.73 2.20 -0.04 0.66 1.43 0.28 -0.70 118.68 118.78 1qts s LEU 726 Ca 0.34 -0.48 -0.01 0.00 -1.03 0.00 0.00 54.13 52.94 1qts s LEU 726 Cb -0.05 -0.39 0.03 0.00 0.03 0.00 0.00 46.19 45.81 1qts s LEU 726 CO 0.21 -0.07 0.07 -0.75 0.23 0.00 0.00 176.35 176.04 1qts s LYS 727 N -1.29 -0.03 0.12 1.70 2.20 -0.56 -2.04 119.74 119.84 1qts s LYS 727 Ca -0.03 0.32 0.04 0.00 -0.36 0.00 0.00 55.97 55.94 1qts s LYS 727 Cb -0.08 -0.34 -0.04 0.00 -1.51 0.00 0.00 37.83 35.86 1qts s LYS 727 CO 0.01 -0.24 -0.10 -1.12 -0.36 0.00 0.00 175.35 173.53 1qts s SER 728 N 1.63 1.64 -0.03 1.43 0.01 -1.21 0.40 113.70 117.57 1qts s SER 728 Ca -0.03 -0.91 -0.04 0.00 1.31 0.00 0.00 55.95 56.29 1qts s SER 728 Cb -0.12 -0.00 0.01 0.00 0.21 0.00 0.00 66.02 66.11 1qts s SER 728 CO -0.04 -0.29 0.10 -1.61 0.41 0.00 0.00 173.24 171.81 1qts s GLU 729 N -3.23 0.18 0.06 12.44 2.02 -0.46 -4.84 118.70 124.86 1qts s GLU 729 Ca 0.11 0.01 0.04 0.00 0.02 0.00 0.00 54.97 55.15 1qts s GLU 729 Cb -0.00 0.08 -0.03 0.00 0.10 0.00 0.00 34.13 34.28 1qts s GLU 729 CO 0.00 -0.03 -0.12 -0.06 0.02 0.00 0.00 175.26 175.07 1qts s PHE 730 N -0.25 1.06 -0.25 1.61 0.40 -1.26 -0.83 117.98 118.45 1qts s PHE 730 Ca -0.03 -0.46 -0.15 0.00 -0.60 0.00 0.00 56.93 55.69 1qts s PHE 730 Cb -0.02 -0.61 0.07 0.00 0.51 0.00 0.00 43.02 42.97 1qts s PHE 730 CO 0.00 0.02 0.62 0.50 0.70 0.00 0.00 175.22 177.06 1qts s ARG 731 N -1.63 0.64 6.53 0.44 3.52 0.13 -4.99 118.95 123.59 1qts s ARG 731 Ca -0.04 1.10 0.00 0.00 -0.13 0.00 0.00 55.73 56.66 1qts s ARG 731 Cb -0.10 0.12 0.00 0.00 -1.56 0.00 0.00 34.95 33.41 1qts s ARG 731 CO 0.02 -0.15 0.00 0.94 -0.81 0.00 0.00 175.30 175.30 1qts n GLN 732 N 4.18 0.00 -0.62 5.12 -0.06 -1.26 -1.09 117.38 123.66 1qts n GLN 732 Ca -0.20 0.00 0.06 0.00 -2.00 0.00 0.00 57.00 54.86 1qts n GLN 732 Cb 0.58 0.00 0.30 0.00 -4.06 0.00 0.00 30.24 27.06 1qts n GLN 732 CO 0.00 0.00 0.00 0.27 -0.20 0.00 0.00 177.06 177.13 1qts n ASN 733 N 3.43 4.35 -4.49 1.69 6.94 -1.26 -4.63 115.26 121.28 1qts n ASN 733 Ca 0.00 -2.58 -0.24 0.00 -0.02 0.00 0.00 54.58 51.74 1qts n ASN 733 Cb 0.00 -0.59 -0.10 0.00 -2.36 0.00 0.00 39.78 36.72 1qts n ASN 733 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1qts s LEU 734 N -1.90 2.64 0.20 -4.53 1.43 -0.25 -0.35 118.68 115.91 1qts s LEU 734 Ca 0.41 -1.11 -0.17 0.00 -1.03 0.00 0.00 54.13 52.23 1qts s LEU 734 Cb 0.30 -1.00 0.02 0.00 0.03 0.00 0.00 46.19 45.54 1qts s LEU 734 CO 0.15 -0.11 0.52 -0.83 0.23 0.00 0.00 176.35 176.32 1qts s GLY 735 N -3.54 -0.04 -0.06 -3.19 0.00 -0.20 -0.69 107.32 99.60 1qts s GLY 735 Ca 0.31 -0.28 -0.01 0.00 0.00 0.00 0.00 44.72 44.74 1qts s GLY 735 CO 0.15 -0.29 -0.01 -1.60 0.00 0.00 0.00 173.10 171.36 1qts s ARG 736 N -3.89 0.62 -0.18 2.90 3.52 -0.01 -0.78 118.95 121.13 1qts s ARG 736 Ca 0.10 0.07 0.00 0.00 -0.13 0.00 0.00 55.73 55.77 1qts s ARG 736 Cb -0.01 -0.91 0.01 0.00 -1.56 0.00 0.00 34.95 32.48 1qts s ARG 736 CO -0.02 -0.25 -0.16 1.41 -0.81 0.00 0.00 175.30 175.47 1qts s MET 737 N 1.72 3.12 -0.14 5.12 -2.45 0.03 -1.36 119.30 125.34 1qts s MET 737 Ca 0.01 -0.77 -0.19 0.00 -1.25 0.00 0.00 55.69 53.48 1qts s MET 737 Cb -0.13 -2.66 -0.04 0.00 1.25 0.00 0.00 34.83 33.26 1qts s MET 737 CO -0.04 -0.14 0.54 -0.06 1.05 0.00 0.00 175.02 176.36 1qts s PHE 738 N 1.19 3.48 -0.16 4.11 0.40 0.16 -0.32 117.98 126.84 1qts s PHE 738 Ca 0.02 0.92 -0.02 0.00 -0.60 0.00 0.00 56.93 57.25 1qts s PHE 738 Cb -0.14 -2.64 -0.01 0.00 0.51 0.00 0.00 43.02 40.74 1qts s PHE 738 CO -0.07 0.06 -0.09 0.42 0.70 0.00 0.00 175.22 176.24 1qts s ILE 739 N 1.00 3.25 -0.19 0.64 1.01 0.37 -1.49 121.20 125.80 1qts s ILE 739 Ca 0.28 -0.57 -0.04 0.00 0.00 0.00 0.00 60.65 60.32 1qts s ILE 739 Cb -0.16 -2.41 -0.02 0.00 0.01 0.00 0.00 42.46 39.89 1qts s ILE 739 CO 0.11 0.49 -0.04 -0.36 0.00 0.00 0.00 174.94 175.15 1qts s PHE 740 N 0.67 2.98 -0.32 3.97 0.40 0.12 -0.94 117.98 124.85 1qts s PHE 740 Ca -0.05 -0.58 -0.07 0.00 -0.60 0.00 0.00 56.93 55.63 1qts s PHE 740 Cb -0.15 -2.03 0.03 0.00 0.51 0.00 0.00 43.02 41.38 1qts s PHE 740 CO 0.02 -0.28 0.10 0.71 0.70 0.00 0.00 175.22 176.48 1qts s TYR 741 N 0.89 3.21 -0.18 0.36 1.51 0.60 -0.89 117.35 122.85 1qts s TYR 741 Ca -0.00 -1.24 -0.06 0.00 -1.01 0.00 0.00 57.07 54.75 1qts s TYR 741 Cb -0.15 -2.27 -0.03 0.00 -0.11 0.00 0.00 41.96 39.40 1qts s TYR 741 CO 0.01 -0.67 0.02 0.20 -1.11 0.00 0.00 175.55 174.00 1qts s GLY 742 N 1.44 1.81 -0.43 0.71 0.00 0.25 -0.90 107.32 110.20 1qts s GLY 742 Ca 0.00 -0.82 -0.21 0.00 0.00 0.00 0.00 44.72 43.69 1qts s GLY 742 CO 0.03 0.06 0.67 0.21 0.00 0.00 0.00 173.10 174.06 1qts s ASN 743 N 0.51 6.35 0.00 1.64 3.84 -0.06 -1.29 114.94 125.92 1qts s ASN 743 Ca 0.00 -0.25 0.29 0.00 0.21 0.00 0.00 52.86 53.12 1qts s ASN 743 Cb -0.13 -2.33 1.36 0.00 -0.55 0.00 0.00 41.25 39.59 1qts s ASN 743 CO 0.02 -0.79 1.96 0.29 -2.79 0.00 0.00 177.10 175.79 1qts n LYS 744 N 6.33 0.38 -2.85 0.43 5.02 -0.08 -1.22 118.16 126.15 1qts n LYS 744 Ca -0.01 -0.05 -0.20 0.00 -2.02 0.00 0.00 58.31 56.04 1qts n LYS 744 Cb 0.48 -1.50 0.08 0.00 -0.02 0.00 0.00 35.03 34.07 1qts n LYS 744 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1qts n THR 745 N -1.27 0.00 -0.62 -0.18 -2.24 -1.26 -4.82 114.28 103.89 1qts n THR 745 Ca 0.12 -1.83 0.09 0.00 -2.27 0.00 0.00 64.05 60.17 1qts n THR 745 Cb 0.27 -0.60 0.35 0.00 -2.10 0.00 0.00 70.33 68.25 1qts n THR 745 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1qts n SER 746 N -2.45 4.66 -4.31 3.42 7.64 -1.26 -1.58 113.62 119.74 1qts n SER 746 Ca 0.16 -2.44 -0.31 0.00 1.01 0.00 0.00 58.87 57.30 1qts n SER 746 Cb 0.59 -0.56 -0.16 0.00 -1.01 0.00 0.00 64.21 63.06 1qts n SER 746 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1qts s THR 747 N -1.83 2.03 0.22 0.44 2.01 -1.26 -4.64 115.64 112.62 1qts s THR 747 Ca 0.50 -1.12 -0.30 0.00 0.31 0.00 0.00 61.69 61.08 1qts s THR 747 Cb 0.32 -1.69 -0.09 0.00 0.01 0.00 0.00 72.50 71.06 1qts s THR 747 CO 0.24 0.55 1.17 -1.58 -0.69 0.00 0.00 174.62 174.31 1qts s GLN 748 N -0.67 4.53 0.29 4.92 0.74 -1.26 -3.51 119.66 124.70 1qts s GLN 748 Ca 0.10 1.87 -0.18 0.00 0.05 0.00 0.00 55.36 57.20 1qts s GLN 748 Cb -0.10 -3.22 -0.09 0.00 1.10 0.00 0.00 33.01 30.71 1qts s GLN 748 CO -0.01 -0.00 0.76 -0.06 -0.55 0.00 0.00 175.29 175.43 1qts s PHE 749 N -0.46 3.50 0.21 1.67 0.08 0.47 -4.73 117.98 118.73 1qts s PHE 749 Ca 0.50 1.35 0.11 0.00 0.12 0.00 0.00 56.93 59.01 1qts s PHE 749 Cb -0.33 -2.62 -0.05 0.00 -0.57 0.00 0.00 43.02 39.46 1qts s PHE 749 CO 0.39 0.18 -0.21 -0.51 -0.10 0.00 0.00 175.22 174.97 1qts s LEU 750 N -2.53 2.49 -1.54 -0.37 1.43 -0.54 -1.54 118.68 116.08 1qts s LEU 750 Ca 0.50 -0.92 -0.14 0.00 -1.03 0.00 0.00 54.13 52.54 1qts s LEU 750 Cb -0.13 -1.06 0.10 0.00 0.03 0.00 0.00 46.19 45.13 1qts s LEU 750 CO 0.19 0.05 0.87 0.59 0.23 0.00 0.00 176.35 178.28 1qts n ASN 751 N -0.03 -4.44 -4.60 2.29 5.03 -0.74 -0.66 115.26 112.12 1qts n ASN 751 Ca -0.10 -0.76 -0.43 0.00 0.87 0.00 0.00 54.58 54.16 1qts n ASN 751 Cb 0.58 -3.57 -0.02 0.00 -1.02 0.00 0.00 39.78 35.74 1qts n ASN 751 CO 0.00 0.00 0.00 0.12 -1.83 0.00 0.00 177.26 175.55 1qts s PHE 752 N -3.24 2.21 -0.33 3.10 5.36 0.11 -4.30 117.98 120.89 1qts s PHE 752 Ca 0.64 0.65 -0.00 0.00 -0.96 0.00 0.00 56.93 57.26 1qts s PHE 752 Cb -0.33 -4.26 0.10 0.00 -0.34 0.00 0.00 43.02 38.20 1qts s PHE 752 CO 0.79 -2.29 0.11 0.99 -1.46 0.00 0.00 175.22 173.36 1qts s THR 753 N 5.90 1.02 -0.02 0.12 2.01 0.13 -4.23 115.64 120.57 1qts s THR 753 Ca 0.67 -1.58 -0.21 0.00 0.31 0.00 0.00 61.69 60.87 1qts s THR 753 Cb -0.16 -1.76 -0.05 0.00 0.01 0.00 0.00 72.50 70.53 1qts s THR 753 CO 0.33 -0.70 0.62 -2.16 -0.69 0.00 0.00 174.62 172.02 1qts s PRO 754 N 1.44 4.35 -0.01 4.92 0.05 -1.26 -2.06 135.00 142.43 1qts s PRO 754 Ca 0.11 0.76 0.03 0.00 0.05 0.00 0.00 61.00 61.94 1qts s PRO 754 Cb -0.18 -3.37 -0.01 0.00 0.05 0.00 0.00 34.50 30.99 1qts s PRO 754 CO -0.21 0.28 -0.09 0.95 0.05 0.00 0.00 177.00 177.98 1qts s THR 755 N 0.09 0.73 -0.16 1.26 -4.23 0.71 -4.95 115.64 109.09 1qts s THR 755 Ca 0.32 -0.38 -0.14 0.00 -1.18 0.00 0.00 61.69 60.31 1qts s THR 755 Cb -0.18 -0.62 -0.05 0.00 1.34 0.00 0.00 72.50 73.00 1qts s THR 755 CO 0.17 0.21 0.30 -0.76 -0.54 0.00 0.00 174.62 174.00 1qts s LEU 756 N -0.16 4.25 -0.11 4.79 1.43 -1.26 -0.51 118.68 127.12 1qts s LEU 756 Ca 0.03 0.52 0.02 0.00 -1.03 0.00 0.00 54.13 53.66 1qts s LEU 756 Cb -0.04 -2.38 0.01 0.00 0.03 0.00 0.00 46.19 43.81 1qts s LEU 756 CO -0.00 0.10 -0.15 -0.63 0.23 0.00 0.00 176.35 175.90 1qts s ILE 757 N 0.43 1.49 -0.33 -0.59 1.01 0.44 -4.97 121.20 118.68 1qts s ILE 757 Ca 0.17 -0.64 -0.04 0.00 0.00 0.00 0.00 60.65 60.14 1qts s ILE 757 Cb -0.13 -1.36 0.05 0.00 0.01 0.00 0.00 42.46 41.03 1qts s ILE 757 CO 0.04 0.44 0.06 0.00 0.00 0.00 0.00 174.94 175.48 1qts n ALA 759 N 4.69 2.41 0.00 0.00 0.00 -1.26 -3.89 120.51 122.46 1qts n ALA 759 Ca -0.12 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.70 1qts n ALA 759 Cb 0.44 -2.45 0.00 0.00 0.00 0.00 0.00 19.45 17.44 1qts n ALA 759 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1qts n ASP 760 N 2.20 0.00 -0.32 0.00 9.92 -1.26 -0.37 116.55 126.72 1qts n ASP 760 Ca 0.09 0.00 0.14 0.00 -0.53 0.00 0.00 54.79 54.49 1qts n ASP 760 Cb 0.36 0.00 0.32 0.00 -0.64 0.00 0.00 41.12 41.16 1qts n ASP 760 CO 0.00 0.00 0.00 -0.78 0.13 0.00 0.00 177.20 176.55 1qts h ASP 761 N 0.00 0.47 -0.70 -2.24 1.82 -2.03 -1.95 116.42 111.80 1qts h ASP 761 Ca 0.00 0.14 0.01 0.00 -0.39 0.00 0.00 57.03 56.79 1qts h ASP 761 Cb 0.00 0.08 -0.04 0.00 0.68 0.00 0.00 39.33 40.06 1qts h ASP 761 CO 0.00 0.06 0.46 0.25 -1.61 0.00 0.00 179.24 178.41 1qts h LEU 762 N 0.49 0.78 -1.42 2.28 5.85 -0.98 -2.49 115.31 119.82 1qts h LEU 762 Ca 0.57 -0.02 0.02 0.00 0.84 0.00 0.00 57.88 59.30 1qts h LEU 762 Cb 1.05 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.86 1qts h LEU 762 CO -0.49 0.56 0.41 1.56 -0.34 0.00 0.00 178.44 180.14 1qts h GLN 763 N 0.92 0.75 -0.02 1.25 4.20 -1.42 0.93 115.11 121.72 1qts h GLN 763 Ca 0.26 -0.04 -0.15 0.00 0.06 0.00 0.00 58.65 58.77 1qts h GLN 763 Cb -0.07 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 27.52 1qts h GLN 763 CO -0.06 0.49 -0.68 1.79 -0.67 0.00 0.00 178.83 179.70 1qts h THR 764 N 0.77 1.46 0.00 -0.54 1.35 -1.56 -3.28 112.91 111.11 1qts h THR 764 Ca 0.24 -2.27 0.00 0.00 -0.55 0.00 0.00 66.41 63.83 1qts h THR 764 Cb 0.02 2.21 0.00 0.00 -1.73 0.00 0.00 68.15 68.65 1qts h THR 764 CO -0.06 0.66 -0.83 0.78 -0.25 0.00 0.00 175.52 175.81 1qts h ASN 765 N 0.06 0.00 -3.12 5.36 2.35 -1.17 -3.44 115.58 115.63 1qts h ASN 765 Ca -0.01 -0.14 -0.35 0.00 -0.55 0.00 0.00 56.30 55.24 1qts h ASN 765 Cb 1.22 0.00 -0.38 0.00 0.05 0.00 0.00 38.32 39.21 1qts h ASN 765 CO 0.10 0.07 -0.70 -0.22 -1.65 0.00 0.00 177.43 175.03 1qts s LEU 766 N -4.69 0.08 -0.27 1.61 2.96 0.21 -0.01 118.68 118.57 1qts s LEU 766 Ca 0.03 0.02 -0.09 0.00 -0.22 0.00 0.00 54.13 53.87 1qts s LEU 766 Cb 0.12 0.03 -0.03 0.00 0.50 0.00 0.00 46.19 46.81 1qts s LEU 766 CO 0.76 -0.27 0.13 0.21 -1.32 0.00 0.00 176.35 175.86 1qts s ASN 767 N 2.22 5.54 -0.12 3.68 3.04 0.71 -4.49 114.94 125.53 1qts s ASN 767 Ca 0.04 -0.21 -0.00 0.00 0.04 0.00 0.00 52.86 52.73 1qts s ASN 767 Cb -0.13 -2.01 -0.02 0.00 -1.54 0.00 0.00 41.25 37.55 1qts s ASN 767 CO -0.06 -0.08 -0.10 -0.76 -3.04 0.00 0.00 177.10 173.07 1qts s LEU 768 N 1.67 2.92 -0.02 3.21 1.43 -1.26 -0.66 118.68 125.96 1qts s LEU 768 Ca 0.06 -0.22 0.04 0.00 -1.03 0.00 0.00 54.13 52.98 1qts s LEU 768 Cb -0.16 -1.66 -0.00 0.00 0.03 0.00 0.00 46.19 44.40 1qts s LEU 768 CO 0.07 0.22 -0.13 -1.10 0.23 0.00 0.00 176.35 175.64 1qts s GLN 769 N 0.05 1.21 0.20 1.70 -0.21 -0.24 -4.98 119.66 117.38 1qts s GLN 769 Ca -0.03 -0.44 -0.14 0.00 0.02 0.00 0.00 55.36 54.76 1qts s GLN 769 Cb -0.14 -1.11 0.01 0.00 1.00 0.00 0.00 33.01 32.77 1qts s GLN 769 CO 0.04 0.21 0.45 -0.08 -2.12 0.00 0.00 175.29 173.79 1qts s THR 770 N -0.04 0.03 0.02 -0.19 -1.32 -1.26 -0.33 115.64 112.55 1qts s THR 770 Ca -0.00 -1.09 0.06 0.00 -1.21 0.00 0.00 61.69 59.45 1qts s THR 770 Cb -0.08 -1.78 -0.03 0.00 -1.51 0.00 0.00 72.50 69.10 1qts s THR 770 CO 0.00 -0.15 -0.15 -0.54 -2.21 0.00 0.00 174.62 171.58 1qts s LYS 771 N -3.93 2.25 0.60 7.08 1.02 -1.26 -5.07 119.74 120.43 1qts s LYS 771 Ca 0.14 -0.88 -0.18 0.00 0.02 0.00 0.00 55.97 55.07 1qts s LYS 771 Cb 0.00 -2.29 -0.05 0.00 -0.52 0.00 0.00 37.83 34.97 1qts s LYS 771 CO 0.00 0.56 0.85 -2.30 -0.92 0.00 0.00 175.35 173.55 1qts n PRO 772 N 1.63 0.76 -3.93 -1.68 -0.02 -1.26 -4.78 135.00 125.71 1qts n PRO 772 Ca -0.16 0.30 -0.29 0.00 -2.02 0.00 0.00 63.50 61.33 1qts n PRO 772 Cb 0.52 -2.05 -0.04 0.00 -0.02 0.00 0.00 33.50 31.91 1qts n PRO 772 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1qts s VAL 773 N -1.58 5.33 0.23 -1.45 1.01 -1.26 -5.05 120.40 117.63 1qts s VAL 773 Ca 0.75 -0.51 -0.31 0.00 0.00 0.00 0.00 61.98 61.91 1qts s VAL 773 Cb -0.42 -3.65 -0.10 0.00 0.00 0.00 0.00 36.38 32.21 1qts s VAL 773 CO 0.48 0.06 1.53 -0.62 0.00 0.00 0.00 175.10 176.55 1qts s ASP 774 N -2.75 6.56 0.00 3.32 -1.08 -1.26 -4.88 116.67 116.58 1qts s ASP 774 Ca 0.35 2.72 0.22 0.00 -0.52 0.00 0.00 52.55 55.32 1qts s ASP 774 Cb -0.12 -2.62 1.09 0.00 -1.46 0.00 0.00 42.92 39.81 1qts s ASP 774 CO 0.28 -0.80 1.72 -0.81 0.52 0.00 0.00 175.17 176.09 1qts n PRO 775 N 2.87 0.25 -3.81 4.34 -0.04 -1.26 -4.67 135.00 132.69 1qts n PRO 775 Ca 0.10 0.08 -0.36 0.00 -0.04 0.00 0.00 63.50 63.28 1qts n PRO 775 Cb 0.39 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.22 1qts n PRO 775 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1qts s THR 776 N -2.66 3.92 -0.25 0.52 2.01 -1.26 0.04 115.64 117.96 1qts s THR 776 Ca 0.19 -0.36 0.03 0.00 0.31 0.00 0.00 61.69 61.85 1qts s THR 776 Cb 0.15 -2.85 0.06 0.00 0.01 0.00 0.00 72.50 69.87 1qts s THR 776 CO 0.35 0.33 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.82 1qts s VAL 777 N 1.55 2.06 0.70 3.82 1.01 -0.59 -4.96 120.40 124.00 1qts s VAL 777 Ca 0.06 -1.56 -0.16 0.00 0.00 0.00 0.00 61.98 60.32 1qts s VAL 777 Cb -0.15 -2.19 0.02 0.00 0.00 0.00 0.00 36.38 34.06 1qts s VAL 777 CO 0.01 -0.03 1.23 -1.81 0.00 0.00 0.00 175.10 174.50 1qts s ASP 778 N 1.15 4.32 0.29 3.32 1.01 -1.26 -0.40 116.67 125.10 1qts s ASP 778 Ca -0.08 2.44 -0.30 0.00 0.71 0.00 0.00 52.55 55.32 1qts s ASP 778 Cb -0.20 -2.60 -0.13 0.00 1.01 0.00 0.00 42.92 41.01 1qts s ASP 778 CO -0.05 -2.19 1.39 0.61 0.21 0.00 0.00 175.17 175.14 1qts n GLY 779 N 0.57 0.78 3.30 0.21 0.00 -1.23 -1.54 105.19 107.28 1qts n GLY 779 Ca 0.14 0.42 0.00 0.00 0.00 0.00 0.00 46.02 46.58 1qts n GLY 779 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qts n GLY 780 N 1.60 1.65 3.97 -0.02 0.00 -0.36 -4.89 105.19 107.13 1qts n GLY 780 Ca 0.08 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.89 1qts n GLY 780 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qts s ALA 781 N -2.98 3.87 -0.05 4.61 0.00 -0.59 -4.78 121.76 121.84 1qts s ALA 781 Ca 0.00 -1.22 0.03 0.00 0.00 0.00 0.00 51.96 50.77 1qts s ALA 781 Cb 0.00 -2.07 0.01 0.00 0.00 0.00 0.00 23.12 21.06 1qts s ALA 781 CO 0.00 -0.52 -0.13 -1.14 0.00 0.00 0.00 175.76 173.97 1qts s GLN 782 N -4.62 1.50 0.04 0.00 0.74 -1.26 -0.88 119.66 115.18 1qts s GLN 782 Ca 0.52 -0.44 0.08 0.00 0.05 0.00 0.00 55.36 55.57 1qts s GLN 782 Cb -0.10 -1.29 -0.03 0.00 1.10 0.00 0.00 33.01 32.68 1qts s GLN 782 CO 0.38 0.12 -0.21 0.54 -0.55 0.00 0.00 175.29 175.57 1qts s VAL 783 N 0.34 2.58 0.09 1.34 0.11 -0.08 -4.94 120.40 119.85 1qts s VAL 783 Ca -0.08 -1.24 0.07 0.00 -2.93 0.00 0.00 61.98 57.80 1qts s VAL 783 Cb -0.12 -2.06 -0.04 0.00 -1.53 0.00 0.00 36.38 32.63 1qts s VAL 783 CO 0.02 0.35 -0.09 -1.58 -3.33 0.00 0.00 175.10 170.48 1qts s GLN 784 N -1.35 2.21 -0.06 1.54 0.74 -1.26 -0.29 119.66 121.19 1qts s GLN 784 Ca 0.14 -0.98 0.03 0.00 0.05 0.00 0.00 55.36 54.59 1qts s GLN 784 Cb -0.10 -2.35 0.01 0.00 1.10 0.00 0.00 33.01 31.67 1qts s GLN 784 CO 0.04 0.52 -0.13 -1.14 -0.55 0.00 0.00 175.29 174.03 1qts s GLN 785 N -2.16 1.67 -0.21 1.67 0.74 -0.12 -4.89 119.66 116.36 1qts s GLN 785 Ca 0.22 -0.44 -0.08 0.00 0.05 0.00 0.00 55.36 55.11 1qts s GLN 785 Cb -0.11 -1.39 -0.04 0.00 1.10 0.00 0.00 33.01 32.56 1qts s GLN 785 CO 0.14 0.07 0.09 0.08 -0.55 0.00 0.00 175.29 175.12 1qts s VAL 786 N 0.53 4.88 -0.25 1.34 1.01 -1.26 -0.47 120.40 126.18 1qts s VAL 786 Ca -0.12 0.01 -0.05 0.00 0.00 0.00 0.00 61.98 61.81 1qts s VAL 786 Cb -0.15 -3.24 -0.00 0.00 0.00 0.00 0.00 36.38 32.99 1qts s VAL 786 CO 0.03 0.41 0.01 -0.69 0.00 0.00 0.00 175.10 174.86 1qts s VAL 787 N 0.78 3.64 -0.15 2.92 1.01 0.57 -4.16 120.40 125.00 1qts s VAL 787 Ca 0.05 -0.54 -0.19 0.00 0.00 0.00 0.00 61.98 61.29 1qts s VAL 787 Cb -0.13 -2.74 -0.03 0.00 0.00 0.00 0.00 36.38 33.47 1qts s VAL 787 CO 0.02 0.30 0.55 0.20 0.00 0.00 0.00 175.10 176.17 1qts s ASN 788 N 1.49 6.69 -0.09 3.32 0.01 0.55 -0.79 114.94 126.11 1qts s ASN 788 Ca 0.04 0.82 0.03 0.00 -0.71 0.00 0.00 52.86 53.05 1qts s ASN 788 Cb -0.15 -2.32 -0.01 0.00 0.41 0.00 0.00 41.25 39.18 1qts s ASN 788 CO -0.01 -0.12 -0.18 -0.63 -1.51 0.00 0.00 177.10 174.65 1qts s ILE 789 N 1.21 2.69 -0.13 0.60 1.01 0.04 -1.08 121.20 125.54 1qts s ILE 789 Ca 0.27 -0.82 -0.01 0.00 0.00 0.00 0.00 60.65 60.10 1qts s ILE 789 Cb -0.16 -2.07 0.03 0.00 0.01 0.00 0.00 42.46 40.27 1qts s ILE 789 CO 0.11 0.55 -0.05 -0.70 0.00 0.00 0.00 174.94 174.85 1qts s GLU 790 N 0.00 1.36 -0.27 2.79 2.12 0.16 -1.04 118.70 123.82 1qts s GLU 790 Ca -0.06 -0.31 -0.24 0.00 0.36 0.00 0.00 54.97 54.73 1qts s GLU 790 Cb -0.15 -1.68 -0.00 0.00 0.26 0.00 0.00 34.13 32.56 1qts s GLU 790 CO 0.05 -0.34 0.79 0.00 -0.54 0.00 0.00 175.26 175.21 1qts h ILE 792 N 5.50 1.08 -3.54 0.00 1.08 -0.71 -0.55 117.51 120.36 1qts h ILE 792 Ca -0.24 -2.35 -0.06 0.00 -0.39 0.00 0.00 64.86 61.82 1qts h ILE 792 Cb 1.10 2.68 -0.07 0.00 -3.07 0.00 0.00 36.82 37.46 1qts h ILE 792 CO 0.86 0.62 -0.03 -0.55 -0.69 0.00 0.00 178.15 178.37 1qts s SER 793 N -6.91 0.04 0.69 1.72 0.15 -1.06 -2.18 113.70 106.15 1qts s SER 793 Ca -0.22 -0.99 -0.16 0.00 0.70 0.00 0.00 55.95 55.29 1qts s SER 793 Cb 0.04 0.65 0.02 0.00 -1.71 0.00 0.00 66.02 65.02 1qts s SER 793 CO 0.72 -1.26 1.20 1.51 1.20 0.00 0.00 173.24 176.61 1qts s ASP 794 N -3.04 4.51 0.09 5.45 -4.77 -1.26 -4.74 116.67 112.91 1qts s ASP 794 Ca 0.21 2.33 -0.16 0.00 -3.30 0.00 0.00 52.55 51.63 1qts s ASP 794 Cb -0.02 -2.59 0.03 0.00 -1.09 0.00 0.00 42.92 39.26 1qts s ASP 794 CO 0.11 -2.05 0.39 0.72 0.70 0.00 0.00 175.17 175.04 1qts s PHE 795 N -1.92 -0.21 -0.05 2.11 -0.12 -1.26 -4.94 117.98 111.59 1qts s PHE 795 Ca 0.74 0.01 -0.00 0.00 -0.05 0.00 0.00 56.93 57.63 1qts s PHE 795 Cb -0.29 0.22 -0.03 0.00 -0.63 0.00 0.00 43.02 42.29 1qts s PHE 795 CO 0.42 -0.63 -0.05 2.41 -0.05 0.00 0.00 175.22 177.32 1qts n THR 796 N 0.12 0.28 -1.05 -4.49 -1.04 -1.26 -4.52 114.28 102.32 1qts n THR 796 Ca -0.17 -0.10 -0.29 0.00 -2.04 0.00 0.00 64.05 61.45 1qts n THR 796 Cb 0.62 -0.86 0.17 0.00 -1.82 0.00 0.00 70.33 68.44 1qts n THR 796 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1qts s GLU 797 N -2.10 0.58 0.08 -2.82 0.41 -1.26 -4.99 118.70 108.60 1qts s GLU 797 Ca -0.07 0.77 0.10 0.00 -0.41 0.00 0.00 54.97 55.36 1qts s GLU 797 Cb 0.02 -1.73 -0.03 0.00 -1.78 0.00 0.00 34.13 30.60 1qts s GLU 797 CO 0.11 -2.69 -0.27 0.00 -0.49 0.00 0.00 175.26 171.92 1qts s ALA 798 N -2.84 2.31 0.73 5.21 0.00 -1.26 -4.95 121.76 120.95 1qts s ALA 798 Ca 0.65 -1.36 -0.15 0.00 0.00 0.00 0.00 51.96 51.10 1qts s ALA 798 Cb -0.20 -0.43 0.04 0.00 0.00 0.00 0.00 23.12 22.53 1qts s ALA 798 CO 0.59 0.54 1.22 -2.14 0.00 0.00 0.00 175.76 175.96 1qts s PRO 799 N -1.60 2.13 -0.15 0.00 0.02 -1.26 -4.76 135.00 129.38 1qts s PRO 799 Ca 0.13 1.81 -0.03 0.00 0.02 0.00 0.00 61.00 62.92 1qts s PRO 799 Cb -0.10 -1.83 -0.03 0.00 0.02 0.00 0.00 34.50 32.56 1qts s PRO 799 CO 0.04 -1.86 -0.03 0.08 -0.33 0.00 0.00 177.00 174.90 1qts s VAL 800 N -1.92 3.98 -0.37 3.83 1.01 0.57 -0.76 120.40 126.74 1qts s VAL 800 Ca 0.75 -0.33 -0.15 0.00 0.00 0.00 0.00 61.98 62.25 1qts s VAL 800 Cb -0.30 -2.73 -0.00 0.00 0.00 0.00 0.00 36.38 33.34 1qts s VAL 800 CO 0.45 0.51 0.32 -0.22 0.00 0.00 0.00 175.10 176.16 1qts s LEU 801 N 0.17 4.71 -0.19 3.92 2.96 0.46 -0.42 118.68 130.30 1qts s LEU 801 Ca -0.01 -0.54 -0.08 0.00 -0.22 0.00 0.00 54.13 53.28 1qts s LEU 801 Cb -0.14 -2.23 -0.04 0.00 0.50 0.00 0.00 46.19 44.28 1qts s LEU 801 CO 0.03 -0.37 0.07 0.21 -1.32 0.00 0.00 176.35 174.96 1qts s ASN 802 N 1.73 5.65 -0.14 3.68 3.84 0.33 -1.07 114.94 128.96 1qts s ASN 802 Ca 0.08 0.07 0.01 0.00 0.21 0.00 0.00 52.86 53.23 1qts s ASN 802 Cb -0.18 -1.98 0.02 0.00 -0.55 0.00 0.00 41.25 38.57 1qts s ASN 802 CO 0.11 0.15 -0.17 -0.63 -2.79 0.00 0.00 177.10 173.77 1qts s ILE 803 N 0.50 1.74 -0.05 -5.21 1.09 0.12 -0.21 121.20 119.18 1qts s ILE 803 Ca 0.04 -0.77 0.06 0.00 -1.10 0.00 0.00 60.65 58.88 1qts s ILE 803 Cb -0.13 -1.59 -0.01 0.00 -1.06 0.00 0.00 42.46 39.68 1qts s ILE 803 CO 0.01 0.49 -0.24 -1.10 -0.10 0.00 0.00 174.94 174.00 1qts s GLN 804 N 1.16 2.40 0.24 2.79 -0.21 -0.87 -0.64 119.66 124.52 1qts s GLN 804 Ca -0.01 -0.85 -0.18 0.00 0.02 0.00 0.00 55.36 54.34 1qts s GLN 804 Cb -0.14 -2.04 0.02 0.00 1.00 0.00 0.00 33.01 31.85 1qts s GLN 804 CO -0.06 0.36 0.60 -0.59 -2.12 0.00 0.00 175.29 173.47 1qts s PHE 805 N -0.13 -0.08 -0.14 0.91 -0.12 -0.61 -0.69 117.98 117.13 1qts s PHE 805 Ca -0.04 -0.31 -0.02 0.00 -0.05 0.00 0.00 56.93 56.51 1qts s PHE 805 Cb -0.13 0.49 -0.02 0.00 -0.63 0.00 0.00 43.02 42.73 1qts s PHE 805 CO 0.03 -1.06 -0.06 1.03 -0.05 0.00 0.00 175.22 175.11 1qts s ARG 806 N -3.91 3.50 -0.11 1.99 0.52 0.17 -0.62 118.95 120.48 1qts s ARG 806 Ca 0.12 -0.56 -0.02 0.00 -0.52 0.00 0.00 55.73 54.75 1qts s ARG 806 Cb -0.03 -2.81 0.04 0.00 0.52 0.00 0.00 34.95 32.67 1qts s ARG 806 CO 0.03 0.29 0.01 -0.47 0.02 0.00 0.00 175.30 175.17 1qts s TYR 807 N 0.22 0.82 -1.68 -0.53 5.04 -0.64 -1.47 117.35 119.10 1qts s TYR 807 Ca -0.04 -0.41 -0.02 0.00 -2.44 0.00 0.00 57.07 54.15 1qts s TYR 807 Cb -0.14 -0.89 0.00 0.00 0.35 0.00 0.00 41.96 41.28 1qts s TYR 807 CO 0.03 -0.43 0.27 0.41 -1.34 0.00 0.00 175.55 174.50 1qts n GLY 808 N 5.11 -0.51 2.46 8.97 0.00 -1.26 -0.96 105.19 118.99 1qts n GLY 808 Ca -0.08 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1qts n GLY 808 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qts n GLY 809 N -1.24 0.65 3.84 -0.02 0.00 -1.26 -5.04 105.19 102.12 1qts n GLY 809 Ca -0.19 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.58 1qts n GLY 809 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1qts s THR 810 N -2.67 4.67 -0.22 2.61 -4.23 -0.14 -5.07 115.64 110.59 1qts s THR 810 Ca 0.00 -1.04 -0.26 0.00 -1.18 0.00 0.00 61.69 59.22 1qts s THR 810 Cb 0.00 -3.41 -0.00 0.00 1.34 0.00 0.00 72.50 70.43 1qts s THR 810 CO 0.00 -0.14 0.88 0.12 -0.54 0.00 0.00 174.62 174.94 1qts s PHE 811 N -1.80 3.35 -0.10 3.99 5.36 -1.26 -1.62 117.98 125.90 1qts s PHE 811 Ca 0.32 1.24 -0.00 0.00 -0.96 0.00 0.00 56.93 57.53 1qts s PHE 811 Cb -0.10 -3.09 -0.03 0.00 -0.34 0.00 0.00 43.02 39.47 1qts s PHE 811 CO 0.25 -0.38 -0.08 -0.65 -1.46 0.00 0.00 175.22 172.90 1qts s GLN 812 N 2.74 3.10 -0.08 10.12 -1.52 0.21 -4.98 119.66 129.24 1qts s GLN 812 Ca 0.38 -0.59 -0.03 0.00 -1.95 0.00 0.00 55.36 53.17 1qts s GLN 812 Cb -0.16 -2.66 0.04 0.00 -0.22 0.00 0.00 33.01 30.02 1qts s GLN 812 CO 0.08 0.45 0.15 1.21 -0.25 0.00 0.00 175.29 176.94 1qts s ASN 813 N -0.25 0.50 -0.02 5.90 2.47 -1.26 -1.57 114.94 120.71 1qts s ASN 813 Ca 0.03 0.31 0.04 0.00 0.42 0.00 0.00 52.86 53.65 1qts s ASN 813 Cb -0.13 0.22 -0.01 0.00 -1.45 0.00 0.00 41.25 39.89 1qts s ASN 813 CO 0.03 -0.21 -0.13 -0.69 -3.72 0.00 0.00 177.10 172.37 1qts s VAL 814 N 1.93 1.09 -0.07 -5.21 1.01 0.19 -5.00 120.40 114.35 1qts s VAL 814 Ca -0.01 -0.57 0.01 0.00 0.00 0.00 0.00 61.98 61.42 1qts s VAL 814 Cb -0.12 -0.93 0.02 0.00 0.00 0.00 0.00 36.38 35.35 1qts s VAL 814 CO -0.06 0.32 -0.08 -0.44 0.00 0.00 0.00 175.10 174.84 1qts s SER 815 N -0.13 1.54 -0.01 3.32 0.01 -1.26 0.13 113.70 117.29 1qts s SER 815 Ca 0.02 -0.22 -0.01 0.00 1.31 0.00 0.00 55.95 57.04 1qts s SER 815 Cb -0.07 -0.67 0.00 0.00 0.21 0.00 0.00 66.02 65.49 1qts s SER 815 CO 0.00 -0.04 0.03 0.54 0.41 0.00 0.00 173.24 174.19 1qts s VAL 816 N 1.03 0.01 0.18 3.43 0.11 -0.23 -4.37 120.40 120.56 1qts s VAL 816 Ca -0.09 -0.06 -0.30 0.00 -2.93 0.00 0.00 61.98 58.60 1qts s VAL 816 Cb -0.14 -0.08 -0.08 0.00 -1.53 0.00 0.00 36.38 34.55 1qts s VAL 816 CO -0.00 -0.04 1.20 -0.54 -3.33 0.00 0.00 175.10 172.40 1qts s LYS 817 N -0.09 4.48 -0.14 1.54 1.02 0.36 -0.40 119.74 126.51 1qts s LYS 817 Ca -0.01 1.88 -0.16 0.00 0.02 0.00 0.00 55.97 57.70 1qts s LYS 817 Cb -0.01 -3.24 -0.04 0.00 -0.52 0.00 0.00 37.83 34.02 1qts s LYS 817 CO 0.00 -0.10 0.39 -0.51 -0.92 0.00 0.00 175.35 174.21 1qts s LEU 818 N -0.19 4.25 -1.44 3.17 1.43 0.06 -4.88 118.68 121.08 1qts s LEU 818 Ca 0.53 0.66 -0.13 0.00 -1.03 0.00 0.00 54.13 54.15 1qts s LEU 818 Cb -0.33 -2.54 -0.00 0.00 0.03 0.00 0.00 46.19 43.35 1qts s LEU 818 CO 0.36 0.03 2.37 -0.81 0.23 0.00 0.00 176.35 178.54 1qts n PRO 819 N 3.71 2.94 -3.61 1.29 -0.04 -1.26 -4.14 135.00 133.90 1qts n PRO 819 Ca -0.09 -2.43 -0.40 0.00 -0.04 0.00 0.00 63.50 60.53 1qts n PRO 819 Cb 0.52 -3.14 -0.11 0.00 -0.04 0.00 0.00 33.50 30.73 1qts n PRO 819 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1qts s ILE 820 N 3.09 4.38 0.26 0.52 1.01 -1.26 -4.91 121.20 124.30 1qts s ILE 820 Ca 0.53 -1.10 0.10 0.00 0.00 0.00 0.00 60.65 60.18 1qts s ILE 820 Cb 0.15 -3.54 -0.05 0.00 0.01 0.00 0.00 42.46 39.02 1qts s ILE 820 CO -0.07 -0.34 -0.16 0.42 0.00 0.00 0.00 174.94 174.78 1qts s THR 821 N 1.49 2.19 0.36 2.92 -4.23 -1.26 -4.76 115.64 112.35 1qts s THR 821 Ca 0.02 -2.32 0.04 0.00 -1.18 0.00 0.00 61.69 58.25 1qts s THR 821 Cb -0.21 -2.27 0.25 0.00 1.34 0.00 0.00 72.50 71.61 1qts s THR 821 CO 0.05 -0.43 2.00 0.25 -0.54 0.00 0.00 174.62 175.94 1qts h LEU 822 N 2.33 0.63 -0.86 4.79 5.85 -1.95 -1.50 115.31 124.60 1qts h LEU 822 Ca -0.40 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.29 1qts h LEU 822 Cb 1.25 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 42.12 1qts h LEU 822 CO 0.62 0.49 0.00 -0.46 -0.34 0.00 0.00 178.44 178.75 1qts n ASN 823 N -4.42 0.61 0.26 1.25 6.94 -1.26 -2.13 115.26 116.51 1qts n ASN 823 Ca 0.05 0.68 0.18 0.00 -0.02 0.00 0.00 54.58 55.47 1qts n ASN 823 Cb 0.08 -0.80 0.88 0.00 -2.36 0.00 0.00 39.78 37.58 1qts n ASN 823 CO 0.00 0.00 0.00 0.11 -1.03 0.00 0.00 177.26 176.34 1qts h LYS 824 N 0.00 0.00 -0.78 -3.83 1.79 -1.51 -2.69 116.57 109.55 1qts h LYS 824 Ca 0.00 0.00 -0.24 0.00 -2.18 0.00 0.00 60.65 58.23 1qts h LYS 824 Cb 0.26 0.00 -0.15 0.00 -1.58 0.00 0.00 32.23 30.76 1qts h LYS 824 CO 0.00 0.00 0.31 1.19 -1.08 0.00 0.00 179.45 179.87 1qts n PHE 825 N -2.80 2.54 -2.59 -1.35 3.01 -0.91 -4.74 117.46 110.63 1qts n PHE 825 Ca -0.01 -1.25 -0.39 0.00 1.01 0.00 0.00 57.45 56.81 1qts n PHE 825 Cb 0.13 -0.72 -0.05 0.00 -0.01 0.00 0.00 39.48 38.84 1qts n PHE 825 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 1qts s PHE 826 N -3.00 3.63 -0.28 1.38 2.99 -1.02 -1.08 117.98 120.61 1qts s PHE 826 Ca 0.55 1.75 -0.06 0.00 0.00 0.00 0.00 56.93 59.17 1qts s PHE 826 Cb 0.44 -3.14 0.00 0.00 0.00 0.00 0.00 43.02 40.33 1qts s PHE 826 CO 0.13 -0.23 0.05 -1.14 -0.00 0.00 0.00 175.22 174.03 1qts s GLN 827 N -1.66 3.18 0.37 0.44 0.74 0.45 -4.86 119.66 118.32 1qts s GLN 827 Ca 0.47 -0.79 -0.28 0.00 0.05 0.00 0.00 55.36 54.82 1qts s GLN 827 Cb -0.27 -3.29 -0.10 0.00 1.10 0.00 0.00 33.01 30.45 1qts s GLN 827 CO 0.34 -0.38 1.35 -1.25 -0.55 0.00 0.00 175.29 174.80 1qts s PRO 828 N 1.50 4.15 -0.31 1.67 0.04 -1.24 -0.90 135.00 139.91 1qts s PRO 828 Ca 0.03 2.28 0.01 0.00 0.04 0.00 0.00 61.00 63.36 1qts s PRO 828 Cb -0.16 -2.93 0.09 0.00 0.04 0.00 0.00 34.50 31.54 1qts s PRO 828 CO 0.01 -0.39 0.06 0.95 0.04 0.00 0.00 177.00 177.68 1qts s THR 829 N -1.18 1.33 0.36 1.26 -4.23 -0.89 -4.79 115.64 107.49 1qts s THR 829 Ca 0.53 -1.61 -0.27 0.00 -1.18 0.00 0.00 61.69 59.16 1qts s THR 829 Cb -0.41 -1.94 -0.09 0.00 1.34 0.00 0.00 72.50 71.40 1qts s THR 829 CO 0.54 -0.57 1.15 -1.61 -0.54 0.00 0.00 174.62 173.58 1qts s GLU 830 N 1.40 4.28 0.15 3.99 0.41 -1.26 -4.63 118.70 123.04 1qts s GLU 830 Ca 0.08 1.83 -0.22 0.00 -0.41 0.00 0.00 54.97 56.25 1qts s GLU 830 Cb -0.18 -2.85 0.06 0.00 -1.78 0.00 0.00 34.13 29.38 1qts s GLU 830 CO -0.18 -0.12 0.56 0.00 -0.49 0.00 0.00 175.26 175.03 1qts s MET 831 N -2.02 1.24 0.65 1.61 0.23 -1.26 -5.14 119.30 114.61 1qts s MET 831 Ca 0.53 -0.51 -0.17 0.00 -1.03 0.00 0.00 55.69 54.50 1qts s MET 831 Cb -0.31 0.57 -0.01 0.00 -1.53 0.00 0.00 34.83 33.55 1qts s MET 831 CO 0.39 -0.53 1.23 0.00 -2.03 0.00 0.00 175.02 174.09 1qts s ALA 832 N -3.74 2.37 0.22 3.16 0.00 -1.26 -4.83 121.76 117.68 1qts s ALA 832 Ca 0.01 1.03 -0.08 0.00 0.00 0.00 0.00 51.96 52.92 1qts s ALA 832 Cb -0.00 -3.49 0.33 0.00 0.00 0.00 0.00 23.12 19.96 1qts s ALA 832 CO -0.13 -1.50 1.73 1.03 0.00 0.00 0.00 175.76 176.89 1qts h SER 833 N 0.43 0.17 -0.28 0.00 0.87 -1.91 -0.21 113.55 112.61 1qts h SER 833 Ca -0.50 0.10 -0.05 0.00 -1.23 0.00 0.00 61.79 60.11 1qts h SER 833 Cb 1.31 0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 63.35 1qts h SER 833 CO 0.53 0.09 0.03 -0.61 -0.53 0.00 0.00 176.83 176.34 1qts h GLN 834 N 0.37 0.58 -0.14 2.24 4.15 -1.94 -1.77 115.11 118.60 1qts h GLN 834 Ca 0.34 -0.12 -0.15 0.00 0.77 0.00 0.00 58.65 59.50 1qts h GLN 834 Cb 0.47 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 28.07 1qts h GLN 834 CO -0.36 0.58 -0.54 -0.44 -1.93 0.00 0.00 178.83 176.14 1qts h ASP 835 N 0.56 0.44 -0.27 -0.69 3.32 -1.44 -1.96 116.42 116.39 1qts h ASP 835 Ca 0.12 -0.23 -0.02 0.00 0.02 0.00 0.00 57.03 56.92 1qts h ASP 835 Cb 0.30 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 1qts h ASP 835 CO 0.01 0.90 0.08 0.15 -1.72 0.00 0.00 179.24 178.65 1qts h PHE 836 N 0.31 0.43 -0.63 4.55 3.57 -0.49 -2.33 116.94 122.36 1qts h PHE 836 Ca 0.01 -0.04 -0.05 0.00 3.53 0.00 0.00 57.97 61.41 1qts h PHE 836 Cb 1.04 -0.13 -0.03 0.00 2.79 0.00 0.00 35.95 39.63 1qts h PHE 836 CO 0.03 0.47 0.19 0.74 -2.23 0.00 0.00 178.31 177.51 1qts h PHE 837 N 0.27 0.98 -0.71 0.41 -1.00 -1.26 0.61 116.94 116.24 1qts h PHE 837 Ca 0.09 -0.09 -0.03 0.00 2.81 0.00 0.00 57.97 60.75 1qts h PHE 837 Cb 0.24 -0.29 -0.03 0.00 3.61 0.00 0.00 35.95 39.48 1qts h PHE 837 CO 0.00 0.79 0.34 1.96 -1.61 0.00 0.00 178.31 179.80 1qts h GLN 838 N 0.92 1.02 -0.32 1.51 4.20 -1.29 -2.13 115.11 119.01 1qts h GLN 838 Ca 0.21 -0.15 -0.17 0.00 0.06 0.00 0.00 58.65 58.60 1qts h GLN 838 Cb 0.28 -0.18 -0.00 0.00 0.30 0.00 0.00 27.48 27.87 1qts h GLN 838 CO -0.01 0.80 -0.47 0.00 -0.67 0.00 0.00 178.83 178.48 1qts h ARG 839 N 0.99 0.87 -0.98 1.46 3.08 -0.97 -2.95 114.38 115.88 1qts h ARG 839 Ca 0.24 -0.51 0.07 0.00 0.07 0.00 0.00 59.98 59.86 1qts h ARG 839 Cb 0.11 0.04 -0.07 0.00 0.08 0.00 0.00 29.97 30.14 1qts h ARG 839 CO -0.03 1.15 0.63 2.35 -1.07 0.00 0.00 179.97 183.00 1qts h TRP 840 N 0.69 1.16 -0.25 3.04 2.91 -0.66 -1.79 115.95 121.05 1qts h TRP 840 Ca 0.04 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.09 1qts h TRP 840 Cb 1.07 -0.38 0.00 0.00 -0.51 0.00 0.00 29.16 29.34 1qts h TRP 840 CO 0.07 0.59 0.00 1.63 -1.03 0.00 0.00 178.44 179.69 1qts n LYS 841 N -4.50 1.63 0.00 2.65 5.02 -0.82 -3.21 118.16 118.92 1qts n LYS 841 Ca 0.15 -0.92 0.13 0.00 -2.02 0.00 0.00 58.31 55.65 1qts n LYS 841 Cb 0.20 -1.23 0.26 0.00 -0.02 0.00 0.00 35.03 34.24 1qts n LYS 841 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1qts n GLN 842 N 0.24 1.82 -2.37 1.97 6.02 -0.67 -4.90 117.38 119.49 1qts n GLN 842 Ca 0.09 -1.35 -0.42 0.00 -0.01 0.00 0.00 57.00 55.31 1qts n GLN 842 Cb 0.23 -1.47 -0.03 0.00 1.02 0.00 0.00 30.24 29.99 1qts n GLN 842 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 1qts s LEU 843 N -2.11 4.41 0.00 1.08 0.20 -1.20 -4.88 118.68 116.18 1qts s LEU 843 Ca 0.30 2.16 0.00 0.00 0.69 0.00 0.00 54.13 57.28 1qts s LEU 843 Cb 0.20 -3.59 0.00 0.00 -0.43 0.00 0.00 46.19 42.37 1qts s LEU 843 CO 0.37 -0.45 0.00 -1.54 -0.29 0.00 0.00 176.35 174.44 1qts n SER 844 N 3.26 3.77 -4.65 3.68 3.41 -1.26 -5.00 113.62 116.83 1qts n SER 844 Ca 0.07 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.25 1qts n SER 844 Cb 0.45 0.33 -0.02 0.00 -0.26 0.00 0.00 64.21 64.70 1qts n SER 844 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1qts s ASN 845 N -2.76 6.99 0.56 4.04 3.84 -1.26 -4.91 114.94 121.45 1qts s ASN 845 Ca 0.00 1.40 0.30 0.00 0.21 0.00 0.00 52.86 54.77 1qts s ASN 845 Cb 0.00 -2.54 1.67 0.00 -0.55 0.00 0.00 41.25 39.83 1qts s ASN 845 CO 0.00 -0.76 2.16 1.55 -2.79 0.00 0.00 177.10 177.26 1qts h PRO 846 N 7.91 0.00 0.00 0.43 0.13 -1.95 -1.38 132.00 137.14 1qts h PRO 846 Ca -0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 1qts h PRO 846 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1qts h PRO 846 CO 0.99 0.06 0.00 1.96 -0.23 0.00 0.00 178.00 180.78 1qts h GLN 847 N 0.00 0.00 -0.00 0.86 1.08 -1.99 -2.89 115.11 112.16 1qts h GLN 847 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1qts h GLN 847 Cb 0.19 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.62 1qts h GLN 847 CO 0.01 0.00 -0.05 1.04 -0.95 0.00 0.00 178.83 178.87 1qts n GLN 848 N -3.08 0.13 -4.00 1.46 6.02 -0.52 -4.44 117.38 112.95 1qts n GLN 848 Ca 0.01 -0.01 -0.35 0.00 -0.01 0.00 0.00 57.00 56.63 1qts n GLN 848 Cb 0.33 -1.50 -0.12 0.00 1.02 0.00 0.00 30.24 29.97 1qts n GLN 848 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 1qts s GLU 849 N -2.88 3.75 -0.10 -1.09 2.12 -1.09 -2.36 118.70 117.04 1qts s GLU 849 Ca 0.18 -0.45 0.02 0.00 0.36 0.00 0.00 54.97 55.07 1qts s GLU 849 Cb 0.19 -3.18 0.01 0.00 0.26 0.00 0.00 34.13 31.41 1qts s GLU 849 CO 0.53 0.05 -0.15 0.08 -0.54 0.00 0.00 175.26 175.24 1qts s VAL 850 N 0.93 1.42 0.02 3.70 1.01 -0.45 -5.00 120.40 122.04 1qts s VAL 850 Ca 0.03 -0.61 0.09 0.00 0.00 0.00 0.00 61.98 61.49 1qts s VAL 850 Cb -0.14 -1.30 -0.03 0.00 0.00 0.00 0.00 36.38 34.91 1qts s VAL 850 CO 0.02 0.43 -0.26 -1.10 0.00 0.00 0.00 175.10 174.19 1qts s GLN 851 N 0.94 1.88 -0.04 2.72 -0.21 -1.26 -0.82 119.66 122.86 1qts s GLN 851 Ca -0.08 -1.05 -0.01 0.00 0.02 0.00 0.00 55.36 54.24 1qts s GLN 851 Cb -0.15 -1.98 0.03 0.00 1.00 0.00 0.00 33.01 31.91 1qts s GLN 851 CO -0.01 0.52 0.03 1.21 -2.12 0.00 0.00 175.29 174.93 1qts s ASN 852 N -1.04 0.98 -0.35 5.90 2.47 -0.14 -5.00 114.94 117.77 1qts s ASN 852 Ca 0.11 0.01 -0.08 0.00 0.42 0.00 0.00 52.86 53.32 1qts s ASN 852 Cb -0.10 -0.23 0.04 0.00 -1.45 0.00 0.00 41.25 39.51 1qts s ASN 852 CO 0.01 -0.19 0.13 -0.63 -3.72 0.00 0.00 177.10 172.70 1qts s ILE 853 N 1.75 4.01 0.06 -5.21 1.01 -1.26 -0.79 121.20 120.78 1qts s ILE 853 Ca 0.00 -1.04 0.00 0.00 0.00 0.00 0.00 60.65 59.62 1qts s ILE 853 Cb -0.13 -3.26 -0.04 0.00 0.01 0.00 0.00 42.46 39.05 1qts s ILE 853 CO -0.03 -0.19 -0.05 0.72 0.00 0.00 0.00 174.94 175.39 1qts s PHE 854 N 1.45 0.64 0.26 3.97 -0.12 -0.43 -4.97 117.98 118.78 1qts s PHE 854 Ca -0.01 -0.90 -0.29 0.00 -0.05 0.00 0.00 56.93 55.68 1qts s PHE 854 Cb -0.19 -0.42 -0.09 0.00 -0.63 0.00 0.00 43.02 41.69 1qts s PHE 854 CO 0.04 -0.25 1.00 0.15 -0.05 0.00 0.00 175.22 176.11 1qts s LYS 855 N -3.40 4.75 0.30 1.99 1.02 -1.26 -0.80 119.74 122.33 1qts s LYS 855 Ca 0.05 1.60 -0.29 0.00 0.02 0.00 0.00 55.97 57.34 1qts s LYS 855 Cb 0.03 -3.21 -0.10 0.00 -0.52 0.00 0.00 37.83 34.03 1qts s LYS 855 CO -0.06 0.38 1.43 0.00 -0.92 0.00 0.00 175.35 176.18 1qts s ALA 856 N -1.21 3.59 -0.37 5.17 0.00 -0.34 -4.89 121.76 123.73 1qts s ALA 856 Ca 0.43 1.38 0.22 0.00 0.00 0.00 0.00 51.96 53.99 1qts s ALA 856 Cb -0.28 -3.55 -0.27 0.00 0.00 0.00 0.00 23.12 19.01 1qts s ALA 856 CO 0.35 -0.80 0.65 1.63 0.00 0.00 0.00 175.76 177.60 1qts n LYS 857 N 1.55 0.43 -4.22 0.00 5.02 -0.42 -4.96 118.16 115.56 1qts n LYS 857 Ca 0.04 -0.12 -0.15 0.00 -2.02 0.00 0.00 58.31 56.06 1qts n LYS 857 Cb 0.40 -1.53 -0.11 0.00 -0.02 0.00 0.00 35.03 33.78 1qts n LYS 857 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 1qts s HIS 858 N -3.34 1.21 0.30 2.13 3.76 -1.26 -5.07 115.29 113.02 1qts s HIS 858 Ca -0.02 -0.68 -0.28 0.00 -0.15 0.00 0.00 55.06 53.93 1qts s HIS 858 Cb 0.15 -0.64 -0.14 0.00 1.11 0.00 0.00 32.58 33.06 1qts s HIS 858 CO 0.89 0.06 1.06 -2.30 -0.85 0.00 0.00 174.74 173.60 1qts n PRO 859 N 0.24 1.49 -1.83 8.40 -0.02 -1.26 -4.82 135.00 137.20 1qts n PRO 859 Ca -0.13 0.52 -0.40 0.00 -2.02 0.00 0.00 63.50 61.47 1qts n PRO 859 Cb 0.59 -1.93 -0.01 0.00 -0.02 0.00 0.00 33.50 32.12 1qts n PRO 859 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 1qts n MET 860 N 0.69 4.01 -2.69 -0.52 2.81 -1.26 -4.95 117.12 115.22 1qts n MET 860 Ca 0.09 -3.03 -0.42 0.00 -1.81 0.00 0.00 57.70 52.53 1qts n MET 860 Cb 0.33 -2.79 -0.03 0.00 -0.71 0.00 0.00 33.22 30.02 1qts n MET 860 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 1qts s ASP 861 N 1.24 7.25 0.12 7.83 -1.08 -1.26 -4.97 116.67 125.79 1qts s ASP 861 Ca 0.56 1.53 -0.25 0.00 -0.52 0.00 0.00 52.55 53.87 1qts s ASP 861 Cb 0.16 -2.56 -0.06 0.00 -1.46 0.00 0.00 42.92 39.01 1qts s ASP 861 CO -0.07 -0.45 1.65 0.74 0.52 0.00 0.00 175.17 177.57 1qts h THR 862 N 5.10 0.52 -0.57 1.71 2.02 -1.99 -0.72 112.91 118.98 1qts h THR 862 Ca -0.31 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 66.79 1qts h THR 862 Cb 1.15 0.52 -0.02 0.00 -1.74 0.00 0.00 68.15 68.05 1qts h THR 862 CO 0.86 0.00 0.05 -0.33 0.37 0.00 0.00 175.52 176.46 1qts h GLU 863 N -0.33 0.94 -0.74 6.66 4.39 -2.00 -1.03 114.58 122.47 1qts h GLU 863 Ca 0.06 -0.25 -0.06 0.00 0.34 0.00 0.00 59.36 59.45 1qts h GLU 863 Cb 0.40 -0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 28.91 1qts h GLU 863 CO -0.18 0.90 0.25 0.82 -1.16 0.00 0.00 179.01 179.64 1qts h ILE 864 N 0.88 1.26 -0.30 3.13 1.08 -1.95 -1.37 117.51 120.24 1qts h ILE 864 Ca 0.17 -0.89 -0.02 0.00 -0.39 0.00 0.00 64.86 63.73 1qts h ILE 864 Cb 0.45 0.43 -0.01 0.00 -3.07 0.00 0.00 36.82 34.62 1qts h ILE 864 CO 0.02 0.35 0.12 0.74 -0.69 0.00 0.00 178.15 178.69 1qts h THR 865 N 1.10 1.18 -0.40 -0.27 2.02 -0.51 -0.60 112.91 115.42 1qts h THR 865 Ca 0.24 -0.53 0.03 0.00 0.77 0.00 0.00 66.41 66.92 1qts h THR 865 Cb 0.29 0.98 -0.03 0.00 -1.74 0.00 0.00 68.15 67.64 1qts h THR 865 CO -0.01 0.18 0.19 0.11 0.37 0.00 0.00 175.52 176.37 1qts h LYS 866 N 0.33 0.38 -0.59 6.66 1.57 -1.09 -1.10 116.57 122.74 1qts h LYS 866 Ca 0.10 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.82 1qts h LYS 866 Cb 0.18 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.37 1qts h LYS 866 CO -0.01 0.25 0.21 0.00 -0.57 0.00 0.00 179.45 179.33 1qts h ALA 867 N 1.22 1.26 -0.50 3.86 0.00 -1.05 -0.85 119.26 123.20 1qts h ALA 867 Ca 0.17 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1qts h ALA 867 Cb 0.09 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1qts h ALA 867 CO -0.13 0.54 0.03 0.87 0.00 0.00 0.00 179.25 180.55 1qts h LYS 868 N 0.85 0.86 -0.50 0.00 1.57 -0.62 0.15 116.57 118.88 1qts h LYS 868 Ca 0.20 -0.26 -0.04 0.00 -1.87 0.00 0.00 60.65 58.67 1qts h LYS 868 Cb 0.21 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.42 1qts h LYS 868 CO -0.01 0.88 0.14 0.82 -0.57 0.00 0.00 179.45 180.71 1qts h ILE 869 N 0.72 1.24 -0.69 1.86 2.04 -0.70 0.10 117.51 122.08 1qts h ILE 869 Ca 0.14 -0.81 -0.08 0.00 1.00 0.00 0.00 64.86 65.11 1qts h ILE 869 Cb 0.48 0.82 -0.03 0.00 -0.74 0.00 0.00 36.82 37.35 1qts h ILE 869 CO 0.02 0.29 0.12 0.40 0.00 0.00 0.00 178.15 178.99 1qts h ILE 870 N 0.68 1.27 0.00 -0.67 2.04 -1.08 -2.37 117.51 117.37 1qts h ILE 870 Ca 0.16 -1.03 -0.08 0.00 1.00 0.00 0.00 64.86 64.90 1qts h ILE 870 Cb 0.31 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 36.97 1qts h ILE 870 CO -0.00 0.39 -0.40 1.23 0.00 0.00 0.00 178.15 179.37 1qts h GLY 871 N 1.06 0.00 1.14 5.37 0.00 -0.69 -2.49 103.07 107.46 1qts h GLY 871 Ca 0.21 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.52 1qts h GLY 871 CO 0.01 0.00 0.44 -2.75 0.00 0.00 0.00 176.54 174.24 1qts h PHE 872 N 0.00 1.11 0.00 5.60 3.57 -0.28 -3.42 116.94 123.53 1qts h PHE 872 Ca -0.00 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.47 1qts h PHE 872 Cb 0.77 -0.36 0.00 0.00 2.79 0.00 0.00 35.95 39.15 1qts h PHE 872 CO 0.00 0.78 0.00 0.41 -2.23 0.00 0.00 178.31 177.27 1qts n GLY 873 N -1.16 1.26 3.86 2.40 0.00 -0.94 -4.57 105.19 106.05 1qts n GLY 873 Ca 0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 1qts n GLY 873 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1qts s SER 874 N -0.85 4.34 0.52 1.61 1.04 -1.26 -3.68 113.70 115.42 1qts s SER 874 Ca 0.00 0.89 -0.20 0.00 0.48 0.00 0.00 55.95 57.12 1qts s SER 874 Cb 0.00 -1.44 -0.07 0.00 0.10 0.00 0.00 66.02 64.61 1qts s SER 874 CO 0.00 -2.02 1.08 0.00 0.98 0.00 0.00 173.24 173.28 1qts s ALA 875 N -3.46 2.78 -0.39 5.32 0.00 0.06 -4.62 121.76 121.45 1qts s ALA 875 Ca 0.62 0.71 -0.10 0.00 0.00 0.00 0.00 51.96 53.19 1qts s ALA 875 Cb -0.12 -3.31 0.05 0.00 0.00 0.00 0.00 23.12 19.74 1qts s ALA 875 CO 0.51 -0.56 0.22 -1.17 0.00 0.00 0.00 175.76 174.76 1qts s LEU 876 N -3.68 4.88 -0.26 0.00 2.96 -1.26 -2.35 118.68 118.96 1qts s LEU 876 Ca 0.70 -1.23 -0.16 0.00 -0.22 0.00 0.00 54.13 53.22 1qts s LEU 876 Cb -0.20 -2.00 -0.04 0.00 0.50 0.00 0.00 46.19 44.46 1qts s LEU 876 CO 0.24 -0.45 0.40 -0.76 -1.32 0.00 0.00 176.35 174.46 1qts s LEU 877 N 1.49 4.05 0.53 -0.68 1.43 0.28 -5.01 118.68 120.77 1qts s LEU 877 Ca 0.02 0.36 -0.03 0.00 -1.03 0.00 0.00 54.13 53.45 1qts s LEU 877 Cb -0.21 -2.48 0.00 0.00 0.03 0.00 0.00 46.19 43.54 1qts s LEU 877 CO 0.04 -0.19 0.80 -1.61 0.23 0.00 0.00 176.35 175.63 1qts s GLU 878 N 2.01 2.97 -1.47 1.70 0.41 -1.26 -4.15 118.70 118.91 1qts s GLU 878 Ca 0.17 -0.23 -0.11 0.00 -0.41 0.00 0.00 54.97 54.38 1qts s GLU 878 Cb -0.16 -2.40 0.07 0.00 -1.78 0.00 0.00 34.13 29.86 1qts s GLU 878 CO 0.09 -0.52 0.82 -0.85 -0.49 0.00 0.00 175.26 174.31 1qts n GLU 879 N -2.36 -5.06 -0.00 1.61 0.00 -1.26 -4.90 120.64 108.66 1qts n GLU 879 Ca 0.03 0.63 -0.03 0.00 0.00 0.00 0.00 57.16 57.80 1qts n GLU 879 Cb 0.58 -5.49 -0.01 0.00 0.00 0.00 0.00 31.44 26.52 1qts n GLU 879 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 1qts n VAL 880 N -4.50 1.13 -2.36 3.84 0.31 -1.26 -4.75 118.33 110.73 1qts n VAL 880 Ca 0.00 0.29 -0.42 0.00 -0.01 0.00 0.00 64.34 64.20 1qts n VAL 880 Cb 0.55 -1.77 -0.03 0.00 -0.91 0.00 0.00 33.84 31.68 1qts n VAL 880 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1qts s ASP 881 N -5.76 7.00 0.57 4.52 -1.08 -1.26 -4.90 116.67 115.76 1qts s ASP 881 Ca -0.09 2.03 0.27 0.00 -0.52 0.00 0.00 52.55 54.24 1qts s ASP 881 Cb 0.01 -2.57 1.71 0.00 -1.46 0.00 0.00 42.92 40.61 1qts s ASP 881 CO 0.14 -0.57 2.23 -0.65 0.52 0.00 0.00 175.17 176.84 1qts h PRO 882 N 7.15 0.00 -6.11 4.34 0.11 -1.99 -3.37 132.00 132.13 1qts h PRO 882 Ca -0.39 0.00 -0.59 0.00 0.11 0.00 0.00 66.00 65.13 1qts h PRO 882 Cb 1.19 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 32.21 1qts h PRO 882 CO 0.85 0.01 0.62 1.21 -0.21 0.00 0.00 178.00 180.47 1qts s ASN 883 N -6.32 6.68 0.01 -2.05 3.84 -1.26 -4.91 114.94 110.92 1qts s ASN 883 Ca -0.05 0.57 0.14 0.00 0.21 0.00 0.00 52.86 53.73 1qts s ASN 883 Cb 0.15 -2.47 0.60 0.00 -0.55 0.00 0.00 41.25 38.99 1qts s ASN 883 CO 0.57 -0.88 1.45 -0.81 -2.79 0.00 0.00 177.10 174.64 1qts n PRO 884 N 6.82 0.01 0.05 0.43 -0.04 -1.26 -1.93 135.00 139.09 1qts n PRO 884 Ca 0.07 0.28 0.13 0.00 -0.04 0.00 0.00 63.50 63.94 1qts n PRO 884 Cb 0.48 -1.52 0.33 0.00 -0.04 0.00 0.00 33.50 32.75 1qts n PRO 884 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1qts n ALA 885 N -1.52 2.77 -2.20 0.55 0.00 -1.26 -4.87 120.51 113.99 1qts n ALA 885 Ca 0.03 -0.18 -0.27 0.00 0.00 0.00 0.00 53.44 53.02 1qts n ALA 885 Cb 0.16 -1.29 0.01 0.00 0.00 0.00 0.00 19.45 18.33 1qts n ALA 885 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1qts s ASN 886 N -3.84 5.93 0.05 0.00 0.01 -0.81 -4.64 114.94 111.64 1qts s ASN 886 Ca 0.10 0.77 0.09 0.00 -0.71 0.00 0.00 52.86 53.11 1qts s ASN 886 Cb 0.15 -1.94 -0.03 0.00 0.41 0.00 0.00 41.25 39.84 1qts s ASN 886 CO 0.65 -0.80 -0.25 -0.36 -1.51 0.00 0.00 177.10 174.84 1qts s PHE 887 N -2.83 2.37 -0.02 2.20 0.40 0.01 -4.95 117.98 115.17 1qts s PHE 887 Ca 0.50 -0.38 0.03 0.00 -0.60 0.00 0.00 56.93 56.48 1qts s PHE 887 Cb -0.10 -1.40 -0.00 0.00 0.51 0.00 0.00 43.02 42.02 1qts s PHE 887 CO 0.44 0.16 -0.09 0.08 0.70 0.00 0.00 175.22 176.51 1qts s VAL 888 N -0.84 0.75 0.09 -0.44 1.01 -1.26 -0.58 120.40 119.14 1qts s VAL 888 Ca 0.12 -0.37 0.03 0.00 0.00 0.00 0.00 61.98 61.77 1qts s VAL 888 Cb -0.10 -0.66 -0.04 0.00 0.00 0.00 0.00 36.38 35.59 1qts s VAL 888 CO 0.03 0.23 -0.09 -0.83 0.00 0.00 0.00 175.10 174.43 1qts s GLY 889 N 0.04 0.81 -0.13 4.51 0.00 -0.22 -0.55 107.32 111.78 1qts s GLY 889 Ca -0.01 -1.19 -0.15 0.00 0.00 0.00 0.00 44.72 43.38 1qts s GLY 889 CO 0.00 -1.26 0.41 0.00 0.00 0.00 0.00 173.10 172.25 1qts s ALA 890 N -2.56 -1.02 0.04 3.20 0.00 -0.99 -1.12 121.76 119.31 1qts s ALA 890 Ca 0.05 1.04 -0.28 0.00 0.00 0.00 0.00 51.96 52.78 1qts s ALA 890 Cb -0.02 -0.53 0.10 0.00 0.00 0.00 0.00 23.12 22.66 1qts s ALA 890 CO -0.01 -0.21 1.20 0.20 0.00 0.00 0.00 175.76 176.94 1qts s GLY 891 N -0.08 -0.20 -0.14 0.00 0.00 -0.26 -0.76 107.32 105.88 1qts s GLY 891 Ca -0.03 0.21 0.01 0.00 0.00 0.00 0.00 44.72 44.92 1qts s GLY 891 CO 0.02 2.39 -0.17 -0.42 0.00 0.00 0.00 173.10 174.91 1qts s ILE 892 N -2.33 2.57 -0.18 0.90 1.01 -0.08 -0.32 121.20 122.77 1qts s ILE 892 Ca 0.21 -0.81 -0.24 0.00 0.00 0.00 0.00 60.65 59.80 1qts s ILE 892 Cb 0.01 -2.06 -0.02 0.00 0.01 0.00 0.00 42.46 40.40 1qts s ILE 892 CO -0.00 0.53 0.78 -0.63 0.00 0.00 0.00 174.94 175.62 1qts s ILE 893 N 0.66 4.91 -0.21 2.92 -1.09 0.23 -0.41 121.20 128.20 1qts s ILE 893 Ca -0.09 1.52 -0.09 0.00 -2.23 0.00 0.00 60.65 59.76 1qts s ILE 893 Cb -0.16 -4.09 -0.05 0.00 -1.58 0.00 0.00 42.46 36.59 1qts s ILE 893 CO 0.02 0.04 0.12 -1.00 -1.23 0.00 0.00 174.94 172.89 1qts s HIS 894 N 2.13 3.32 0.15 3.97 3.76 -0.24 -0.87 115.29 127.51 1qts s HIS 894 Ca 0.36 0.19 0.03 0.00 -0.15 0.00 0.00 55.06 55.49 1qts s HIS 894 Cb -0.16 -2.19 -0.04 0.00 1.11 0.00 0.00 32.58 31.29 1qts s HIS 894 CO 0.12 0.14 -0.06 0.95 -0.85 0.00 0.00 174.74 175.03 1qts s THR 895 N 0.71 0.89 0.22 1.30 -4.23 -0.96 -4.21 115.64 109.36 1qts s THR 895 Ca 0.07 -2.00 -0.08 0.00 -1.18 0.00 0.00 61.69 58.49 1qts s THR 895 Cb -0.13 -1.91 0.17 0.00 1.34 0.00 0.00 72.50 71.97 1qts s THR 895 CO 0.01 -0.68 1.83 0.50 -0.54 0.00 0.00 174.62 175.75 1qts h LYS 896 N 2.79 0.80 0.00 3.99 3.64 -0.92 -3.24 116.57 123.63 1qts h LYS 896 Ca -0.36 -0.05 -0.12 0.00 -1.27 0.00 0.00 60.65 58.85 1qts h LYS 896 Cb 1.19 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 32.81 1qts h LYS 896 CO 0.64 0.53 -1.47 0.25 -2.27 0.00 0.00 179.45 177.13 1qts n THR 897 N -4.70 0.89 -3.71 1.00 -2.24 -0.93 -4.98 114.28 99.61 1qts n THR 897 Ca 0.09 -0.64 -0.14 0.00 -2.27 0.00 0.00 64.05 61.10 1qts n THR 897 Cb 0.15 -0.51 -0.09 0.00 -2.10 0.00 0.00 70.33 67.78 1qts n THR 897 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1qts s THR 898 N -3.09 0.02 -0.22 4.28 -4.23 -1.22 -5.13 115.64 106.04 1qts s THR 898 Ca -0.04 -0.13 -0.04 0.00 -1.18 0.00 0.00 61.69 60.30 1qts s THR 898 Cb 0.09 -0.67 -0.01 0.00 1.34 0.00 0.00 72.50 73.25 1qts s THR 898 CO 0.82 -0.07 -0.02 -1.10 -0.54 0.00 0.00 174.62 173.70 1qts s GLN 899 N -0.35 3.42 -0.27 3.99 -1.52 -1.26 -2.26 119.66 121.41 1qts s GLN 899 Ca -0.05 -0.60 -0.07 0.00 -1.95 0.00 0.00 55.36 52.69 1qts s GLN 899 Cb -0.03 -3.06 -0.02 0.00 -0.22 0.00 0.00 33.01 29.68 1qts s GLN 899 CO 0.03 -0.19 0.08 0.42 -0.25 0.00 0.00 175.29 175.37 1qts s ILE 900 N 1.49 4.23 0.13 1.08 1.09 -0.05 -4.94 121.20 124.22 1qts s ILE 900 Ca 0.06 -0.35 -0.30 0.00 -1.10 0.00 0.00 60.65 58.96 1qts s ILE 900 Cb -0.14 -3.05 -0.06 0.00 -1.06 0.00 0.00 42.46 38.14 1qts s ILE 900 CO -0.02 0.24 1.08 -0.83 -0.10 0.00 0.00 174.94 175.31 1qts s GLY 901 N 1.58 2.79 -0.03 6.18 0.00 -1.26 -0.61 107.32 115.98 1qts s GLY 901 Ca 0.05 0.75 0.02 0.00 0.00 0.00 0.00 44.72 45.54 1qts s GLY 901 CO 0.03 1.70 -0.07 0.00 0.00 0.00 0.00 173.10 174.76 1qts s LEU 903 N 0.39 2.06 0.03 0.00 1.43 0.38 -1.10 118.68 121.86 1qts s LEU 903 Ca -0.06 -0.34 -0.01 0.00 -1.03 0.00 0.00 54.13 52.69 1qts s LEU 903 Cb -0.10 -0.88 -0.02 0.00 0.03 0.00 0.00 46.19 45.22 1qts s LEU 903 CO 0.00 0.20 -0.02 -1.48 0.23 0.00 0.00 176.35 175.28 1qts s LEU 904 N -0.53 2.26 -0.05 1.79 0.05 -0.28 -1.11 118.68 120.81 1qts s LEU 904 Ca 0.06 -0.64 -0.00 0.00 0.05 0.00 0.00 54.13 53.60 1qts s LEU 904 Cb -0.07 0.18 0.03 0.00 -2.05 0.00 0.00 46.19 44.28 1qts s LEU 904 CO -0.00 -0.41 -0.01 -0.60 -0.55 0.00 0.00 176.35 174.78 1qts s ARG 905 N -2.26 0.52 -0.21 1.48 3.52 -0.27 -1.05 118.95 120.67 1qts s ARG 905 Ca -0.08 0.06 0.00 0.00 -0.13 0.00 0.00 55.73 55.58 1qts s ARG 905 Cb -0.04 -0.74 0.03 0.00 -1.56 0.00 0.00 34.95 32.64 1qts s ARG 905 CO -0.04 -0.19 -0.14 -1.17 -0.81 0.00 0.00 175.30 172.96 1qts s LEU 906 N 1.37 2.66 -0.37 -0.88 2.96 0.25 -0.97 118.68 123.69 1qts s LEU 906 Ca -0.04 -0.80 -0.03 0.00 -0.22 0.00 0.00 54.13 53.04 1qts s LEU 906 Cb -0.13 -1.56 0.09 0.00 0.50 0.00 0.00 46.19 45.09 1qts s LEU 906 CO -0.02 -0.06 0.14 -1.61 -1.32 0.00 0.00 176.35 173.48 1qts s GLU 907 N 1.29 2.14 0.40 1.98 2.02 -0.01 -0.81 118.70 125.70 1qts s GLU 907 Ca 0.02 -1.64 -0.25 0.00 0.02 0.00 0.00 54.97 53.12 1qts s GLU 907 Cb -0.15 -3.46 -0.08 0.00 0.10 0.00 0.00 34.13 30.53 1qts s GLU 907 CO -0.09 -0.93 1.14 -2.14 0.02 0.00 0.00 175.26 173.26 1qts s PRO 908 N 1.18 4.08 -0.44 0.39 0.02 -1.26 -1.56 135.00 137.41 1qts s PRO 908 Ca 0.04 1.76 0.03 0.00 0.02 0.00 0.00 61.00 62.85 1qts s PRO 908 Cb -0.22 -2.65 0.12 0.00 0.02 0.00 0.00 34.50 31.78 1qts s PRO 908 CO -0.03 -0.27 0.20 1.21 -0.33 0.00 0.00 177.00 177.78 1qts s ASN 909 N -1.23 4.17 0.21 2.53 3.84 0.11 -4.95 114.94 119.61 1qts s ASN 909 Ca 0.57 -2.62 -0.10 0.00 0.21 0.00 0.00 52.86 50.92 1qts s ASN 909 Cb -0.29 -1.38 0.16 0.00 -0.55 0.00 0.00 41.25 39.19 1qts s ASN 909 CO 0.36 -0.28 1.87 -0.07 -2.79 0.00 0.00 177.10 176.18 1qts h LEU 910 N 6.91 0.92 -0.69 3.21 4.07 -1.96 0.40 115.31 128.18 1qts h LEU 910 Ca -0.06 -0.05 -0.14 0.00 0.08 0.00 0.00 57.88 57.71 1qts h LEU 910 Cb 0.94 -0.23 -0.01 0.00 1.08 0.00 0.00 40.66 42.43 1qts h LEU 910 CO 0.58 0.70 -0.56 0.06 -1.08 0.00 0.00 178.44 178.13 1qts h GLN 911 N 1.07 0.27 -0.00 1.13 -0.00 -1.95 -2.65 115.11 112.98 1qts h GLN 911 Ca 0.28 -0.17 0.00 0.00 -0.00 0.00 0.00 58.65 58.76 1qts h GLN 911 Cb -0.07 0.02 0.00 0.00 -0.00 0.00 0.00 27.48 27.43 1qts h GLN 911 CO -0.06 0.76 -0.31 0.00 -0.00 0.00 0.00 178.83 179.22 1qts n ALA 912 N -2.48 3.12 -3.74 0.06 0.00 -1.15 -4.94 120.51 111.39 1qts n ALA 912 Ca -0.02 -0.29 -0.23 0.00 0.00 0.00 0.00 53.44 52.90 1qts n ALA 912 Cb 0.59 -1.23 0.03 0.00 0.00 0.00 0.00 19.45 18.85 1qts n ALA 912 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1qts n GLN 913 N -1.34 -5.15 -4.20 0.00 1.13 0.06 -4.93 117.38 102.95 1qts n GLN 913 Ca 0.08 0.63 -0.12 0.00 -1.94 0.00 0.00 57.00 55.65 1qts n GLN 913 Cb 0.33 -5.27 -0.10 0.00 0.11 0.00 0.00 30.24 25.31 1qts n GLN 913 CO 0.00 0.00 0.00 -1.64 -1.44 0.00 0.00 177.06 173.98 1qts s MET 914 N -6.10 0.99 0.11 -1.09 -1.94 -0.74 -1.20 119.30 109.34 1qts s MET 914 Ca 0.15 -1.47 0.06 0.00 -1.71 0.00 0.00 55.69 52.73 1qts s MET 914 Cb -0.07 -0.07 -0.04 0.00 2.01 0.00 0.00 34.83 36.66 1qts s MET 914 CO 0.81 -0.16 -0.16 0.71 -0.01 0.00 0.00 175.02 176.21 1qts s TYR 915 N -3.79 1.47 -0.27 -0.03 1.51 0.02 0.05 117.35 116.31 1qts s TYR 915 Ca 0.22 -0.50 -0.01 0.00 -1.01 0.00 0.00 57.07 55.77 1qts s TYR 915 Cb 0.07 -0.78 0.04 0.00 -0.11 0.00 0.00 41.96 41.17 1qts s TYR 915 CO 0.02 0.15 -0.05 0.50 -1.11 0.00 0.00 175.55 175.06 1qts s ARG 916 N -2.32 2.61 -0.14 -0.62 3.52 -0.60 -1.31 118.95 120.09 1qts s ARG 916 Ca 0.06 -1.13 -0.04 0.00 -0.13 0.00 0.00 55.73 54.50 1qts s ARG 916 Cb -0.07 -3.03 -0.03 0.00 -1.56 0.00 0.00 34.95 30.25 1qts s ARG 916 CO 0.03 -0.50 -0.01 -1.17 -0.81 0.00 0.00 175.30 172.85 1qts s LEU 917 N 1.27 3.45 -0.12 -0.88 2.96 0.03 -0.83 118.68 124.57 1qts s LEU 917 Ca -0.03 -0.01 0.01 0.00 -0.22 0.00 0.00 54.13 53.88 1qts s LEU 917 Cb -0.18 -1.83 0.02 0.00 0.50 0.00 0.00 46.19 44.70 1qts s LEU 917 CO -0.03 0.23 -0.14 -0.89 -1.32 0.00 0.00 176.35 174.19 1qts s THR 918 N -0.00 1.46 -0.16 3.68 2.01 -0.14 -0.96 115.64 121.53 1qts s THR 918 Ca 0.02 -0.61 -0.05 0.00 0.31 0.00 0.00 61.69 61.36 1qts s THR 918 Cb -0.13 -1.35 -0.03 0.00 0.01 0.00 0.00 72.50 70.99 1qts s THR 918 CO 0.02 0.44 0.02 -0.76 -0.69 0.00 0.00 174.62 173.64 1qts s LEU 919 N 1.13 3.58 -0.18 4.42 2.01 -0.00 -1.11 118.68 128.52 1qts s LEU 919 Ca -0.04 0.01 0.00 0.00 0.01 0.00 0.00 54.13 54.12 1qts s LEU 919 Cb -0.14 -1.88 0.04 0.00 0.01 0.00 0.00 46.19 44.22 1qts s LEU 919 CO -0.04 0.20 -0.08 -0.13 1.01 0.00 0.00 176.35 177.32 1qts s ARG 920 N 0.19 1.72 0.29 1.70 0.52 -0.27 -1.34 118.95 121.76 1qts s ARG 920 Ca 0.02 -0.65 0.03 0.00 -0.52 0.00 0.00 55.73 54.60 1qts s ARG 920 Cb -0.13 -2.17 -0.04 0.00 0.52 0.00 0.00 34.95 33.13 1qts s ARG 920 CO 0.02 -0.42 0.14 0.95 0.02 0.00 0.00 175.30 176.01 1qts s THR 921 N 1.53 0.39 -1.97 0.02 -4.23 -1.00 -0.47 115.64 109.91 1qts s THR 921 Ca 0.00 -2.00 0.07 0.00 -1.18 0.00 0.00 61.69 58.58 1qts s THR 921 Cb -0.15 -2.54 0.20 0.00 1.34 0.00 0.00 72.50 71.34 1qts s THR 921 CO -0.08 0.00 1.16 -1.54 -0.54 0.00 0.00 174.62 173.62 1qts n SER 922 N -0.79 1.22 -3.68 3.99 3.41 -0.51 -4.69 113.62 112.57 1qts n SER 922 Ca 0.01 -2.01 -0.13 0.00 -0.26 0.00 0.00 58.87 56.48 1qts n SER 922 Cb 0.65 -0.16 -0.13 0.00 -0.26 0.00 0.00 64.21 64.32 1qts n SER 922 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1qts s LYS 923 N -1.70 0.18 0.20 4.33 2.20 -1.26 -4.96 119.74 118.74 1qts s LYS 923 Ca 0.15 0.72 -0.11 0.00 -0.36 0.00 0.00 55.97 56.37 1qts s LYS 923 Cb 0.08 -0.03 0.26 0.00 -1.51 0.00 0.00 37.83 36.63 1qts s LYS 923 CO 0.10 -0.25 1.69 0.38 -0.36 0.00 0.00 175.35 176.91 1qts h ASP 924 N 7.97 -0.11 0.37 1.43 2.03 -1.84 -0.27 116.42 126.01 1qts h ASP 924 Ca -0.21 0.12 -0.05 0.00 -0.73 0.00 0.00 57.03 56.16 1qts h ASP 924 Cb 1.13 0.19 -0.01 0.00 -0.83 0.00 0.00 39.33 39.81 1qts h ASP 924 CO 0.20 -0.04 -0.24 0.71 -1.03 0.00 0.00 179.24 178.84 1qts h THR 925 N 0.19 0.94 -0.04 1.15 1.35 -1.97 -1.45 112.91 113.08 1qts h THR 925 Ca 0.29 -0.88 -0.19 0.00 -0.55 0.00 0.00 66.41 65.09 1qts h THR 925 Cb 0.44 1.51 0.01 0.00 -1.73 0.00 0.00 68.15 68.38 1qts h THR 925 CO -0.42 0.23 -0.71 0.58 -0.25 0.00 0.00 175.52 174.95 1qts h VAL 926 N 0.00 1.36 -0.58 6.82 2.07 -1.50 -1.90 116.25 122.51 1qts h VAL 926 Ca -0.00 -2.05 0.08 0.00 0.82 0.00 0.00 66.70 65.55 1qts h VAL 926 Cb 0.49 2.38 -0.07 0.00 -1.52 0.00 0.00 31.29 32.57 1qts h VAL 926 CO 0.03 0.62 0.23 0.28 0.02 0.00 0.00 177.57 178.75 1qts h SER 927 N 0.15 0.25 0.11 0.57 0.02 -0.84 -0.31 113.55 113.50 1qts h SER 927 Ca -0.08 0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 60.93 1qts h SER 927 Cb 1.38 0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.96 1qts h SER 927 CO 0.14 0.16 -0.05 -0.61 -1.14 0.00 0.00 176.83 175.33 1qts h GLN 928 N 0.42 -0.14 -0.56 3.45 5.75 -1.29 -1.56 115.11 121.19 1qts h GLN 928 Ca 0.29 0.01 -0.08 0.00 -0.15 0.00 0.00 58.65 58.72 1qts h GLN 928 Cb 0.32 0.03 -0.02 0.00 1.07 0.00 0.00 27.48 28.88 1qts h GLN 928 CO -0.27 0.03 0.05 -0.09 -2.65 0.00 0.00 178.83 175.89 1qts h ARG 929 N -0.29 0.95 -0.68 1.69 9.65 -1.11 -1.59 114.38 123.00 1qts h ARG 929 Ca -0.02 -0.28 -0.06 0.00 -1.10 0.00 0.00 59.98 58.53 1qts h ARG 929 Cb 0.24 -0.10 -0.03 0.00 -1.39 0.00 0.00 29.97 28.69 1qts h ARG 929 CO 0.02 0.94 0.19 -0.07 2.80 0.00 0.00 179.97 183.85 1qts h LEU 930 N 0.84 1.01 -0.70 3.80 3.38 -1.09 -1.35 115.31 121.20 1qts h LEU 930 Ca 0.16 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 1qts h LEU 930 Cb 0.48 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 1qts h LEU 930 CO 0.02 0.96 0.37 0.00 0.09 0.00 0.00 178.44 179.88 1qts h GLU 932 N 0.97 -0.13 -0.03 0.00 5.08 -1.05 -1.07 114.58 118.34 1qts h GLU 932 Ca 0.24 0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.61 1qts h GLU 932 Cb 0.07 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.34 1qts h GLU 932 CO -0.04 -0.09 0.02 -0.07 -1.00 0.00 0.00 179.01 177.83 1qts h LEU 933 N -0.14 0.04 -0.90 1.33 3.38 -1.06 -3.00 115.31 114.96 1qts h LEU 933 Ca -0.01 -0.09 -0.12 0.00 0.09 0.00 0.00 57.88 57.75 1qts h LEU 933 Cb 0.11 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 1qts h LEU 933 CO 0.02 0.12 -0.55 0.25 0.09 0.00 0.00 178.44 178.38 1qts h LEU 934 N -0.04 0.00 -1.02 1.67 5.85 -1.03 -2.90 115.31 117.84 1qts h LEU 934 Ca 0.01 -0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.70 1qts h LEU 934 Cb 0.09 -0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.09 1qts h LEU 934 CO -0.00 0.55 0.29 0.28 -0.34 0.00 0.00 178.44 179.22 1qts h SER 935 N 0.00 0.91 0.48 1.25 0.02 -1.12 -1.96 113.55 113.13 1qts h SER 935 Ca -0.01 -0.12 0.00 0.00 -0.84 0.00 0.00 61.79 60.83 1qts h SER 935 Cb 0.97 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 63.28 1qts h SER 935 CO 0.07 0.79 0.00 -0.62 -1.14 0.00 0.00 176.83 175.94 1qts n GLU 936 N -4.31 0.08 0.03 3.45 -0.58 -1.09 -2.97 120.64 115.24 1qts n GLU 936 Ca 0.06 0.37 0.12 0.00 -0.42 0.00 0.00 57.16 57.30 1qts n GLU 936 Cb 0.16 -1.67 0.26 0.00 -0.57 0.00 0.00 31.44 29.61 1qts n GLU 936 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 1qts n GLN 937 N -1.83 0.13 0.00 3.49 1.13 -0.74 -5.03 117.38 114.54 1qts n GLN 937 Ca 0.02 0.04 0.01 0.00 -1.94 0.00 0.00 57.00 55.14 1qts n GLN 937 Cb 0.16 -1.59 0.01 0.00 0.11 0.00 0.00 30.24 28.94 1qts n GLN 937 CO 0.00 0.00 0.00 1.19 -1.44 0.00 0.00 177.06 176.81