#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pyt n GLY 702 N 0.00 0.00 2.83 0.00 0.00 -0.05 -4.80 105.19 103.17 1pyt n GLY 702 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 1pyt n GLY 702 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pyt s ALA 703 N 1.93 1.37 0.31 4.61 0.00 -1.26 -1.79 121.76 126.92 1pyt s ALA 703 Ca 0.00 -0.89 -0.16 0.00 0.00 0.00 0.00 51.96 50.91 1pyt s ALA 703 Cb 0.00 -1.22 -0.09 0.00 0.00 0.00 0.00 23.12 21.81 1pyt s ALA 703 CO 0.00 -1.06 0.74 -1.25 0.00 0.00 0.00 175.76 174.19 1pyt s PRO 704 N 1.68 4.07 0.00 0.00 0.04 -1.26 -4.98 135.00 134.55 1pyt s PRO 704 Ca -0.02 0.74 0.25 0.00 0.04 0.00 0.00 61.00 62.01 1pyt s PRO 704 Cb -0.17 -2.51 0.84 0.00 0.04 0.00 0.00 34.50 32.69 1pyt s PRO 704 CO -0.07 0.20 1.61 1.51 0.04 0.00 0.00 177.00 180.29 1pyt n ILE 705 N -0.15 0.10 -3.73 0.56 3.06 -1.26 -4.52 119.36 113.42 1pyt n ILE 705 Ca 0.02 -0.33 -0.30 0.00 -2.50 0.00 0.00 62.75 59.64 1pyt n ILE 705 Cb 0.53 0.57 -0.14 0.00 0.54 0.00 0.00 39.64 41.14 1pyt n ILE 705 CO 0.00 0.00 0.00 -0.36 -2.50 0.00 0.00 176.55 173.69 1pyt s PHE 706 N -1.90 1.92 -0.10 9.51 0.08 -1.26 -5.09 117.98 121.13 1pyt s PHE 706 Ca 0.35 -2.11 -0.35 0.00 0.12 0.00 0.00 56.93 54.93 1pyt s PHE 706 Cb 0.20 -1.84 -0.13 0.00 -0.57 0.00 0.00 43.02 40.68 1pyt s PHE 706 CO 0.31 -0.84 1.82 0.00 -0.10 0.00 0.00 175.22 176.40 1pyt n GLN 707 N 4.21 1.95 0.00 0.44 10.64 -1.26 -4.21 117.38 129.15 1pyt n GLN 707 Ca 0.04 0.71 0.00 0.00 -1.83 0.00 0.00 57.00 55.92 1pyt n GLN 707 Cb 0.38 -2.52 0.00 0.00 -0.86 0.00 0.00 30.24 27.25 1pyt n GLN 707 CO 0.00 0.00 0.00 -0.35 -1.83 0.00 0.00 177.06 174.88 1pyt n PRO 708 N 6.04 3.66 0.00 2.61 -0.04 -1.26 -4.89 135.00 141.11 1pyt n PRO 708 Ca 0.23 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.69 1pyt n PRO 708 Cb 0.26 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.72 1pyt n PRO 708 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1pyt n ASN 709 N 0.00 0.57 0.00 3.54 2.04 -1.26 -5.03 115.26 115.12 1pyt n ASN 709 Ca 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 54.58 54.14 1pyt n ASN 709 Cb 0.00 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.25 1pyt n ASN 709 CO 0.00 0.00 0.00 -0.11 -0.44 0.00 0.00 177.26 176.71 1pyt n LEU 710 N 0.00 0.00 -1.89 -4.53 7.94 -1.26 -4.96 117.00 112.30 1pyt n LEU 710 Ca 0.00 0.00 -0.07 0.00 -1.11 0.00 0.00 56.01 54.83 1pyt n LEU 710 Cb 0.00 0.00 -0.10 0.00 0.53 0.00 0.00 43.42 43.85 1pyt n LEU 710 CO 0.00 0.00 1.27 -0.24 -1.11 0.00 0.00 177.39 177.31 1pyt n SER 711 N 0.00 4.60 0.06 1.96 2.88 -1.26 -4.65 113.62 117.21 1pyt n SER 711 Ca 0.00 -2.31 -0.03 0.00 -1.33 0.00 0.00 58.87 55.20 1pyt n SER 711 Cb 0.00 -1.15 -0.02 0.00 -0.75 0.00 0.00 64.21 62.29 1pyt n SER 711 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1pyt h ALA 712 N 2.69 -0.85 0.00 -1.46 0.00 -2.01 -3.47 119.26 114.16 1pyt h ALA 712 Ca 0.11 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1pyt h ALA 712 Cb 1.17 0.30 0.00 0.00 0.00 0.00 0.00 17.79 19.26 1pyt h ALA 712 CO 0.17 -0.85 0.00 -2.13 0.00 0.00 0.00 179.25 176.44 1pyt n ARG 715 N -2.79 0.00 -1.67 0.00 3.00 -1.26 -5.11 116.66 108.82 1pyt n ARG 715 Ca -0.02 0.00 -0.44 0.00 -0.00 0.00 0.00 57.85 57.38 1pyt n ARG 715 Cb 0.08 -0.04 -0.04 0.00 0.00 0.00 0.00 32.46 32.46 1pyt n ARG 715 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 1pyt n VAL 716 N -1.67 0.59 -3.55 5.15 0.31 -1.26 -4.98 118.33 112.92 1pyt n VAL 716 Ca 0.00 -0.11 -0.38 0.00 -0.01 0.00 0.00 64.34 63.85 1pyt n VAL 716 Cb 0.00 -2.10 -0.06 0.00 -0.91 0.00 0.00 33.84 30.77 1pyt n VAL 716 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1pyt s VAL 717 N 3.80 5.11 0.00 2.52 1.01 -1.26 -4.82 120.40 126.76 1pyt s VAL 717 Ca 0.88 0.75 0.00 0.00 0.00 0.00 0.00 61.98 63.61 1pyt s VAL 717 Cb -0.54 -3.67 0.00 0.00 0.00 0.00 0.00 36.38 32.17 1pyt s VAL 717 CO 0.44 0.57 0.00 0.61 0.00 0.00 0.00 175.10 176.72 1pyt n GLY 718 N 1.92 -0.45 3.45 4.51 0.00 -1.26 -4.72 105.19 108.65 1pyt n GLY 718 Ca -0.15 -1.67 -0.12 0.00 0.00 0.00 0.00 46.02 44.08 1pyt n GLY 718 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pyt n GLY 719 N -0.28 -0.29 3.21 -0.02 0.00 -1.26 -4.86 105.19 101.69 1pyt n GLY 719 Ca 0.00 0.12 -0.38 0.00 0.00 0.00 0.00 46.02 45.76 1pyt n GLY 719 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1pyt n GLU 720 N 7.23 0.01 0.00 1.61 0.00 -1.11 -4.73 120.64 123.65 1pyt n GLU 720 Ca 0.40 0.01 0.00 0.00 0.00 0.00 0.00 57.16 57.56 1pyt n GLU 720 Cb 0.41 -1.02 0.00 0.00 0.00 0.00 0.00 31.44 30.82 1pyt n GLU 720 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1pyt n ASP 721 N 2.61 0.00 0.00 4.31 8.00 -1.26 -2.67 116.55 127.54 1pyt n ASP 721 Ca 0.06 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.56 1pyt n ASP 721 Cb 0.49 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.59 1pyt n ASP 721 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1pyt n ALA 722 N -3.00 0.00 -1.86 2.24 0.00 -1.12 -2.11 120.51 114.66 1pyt n ALA 722 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 1pyt n ALA 722 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 1pyt n ALA 722 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1pyt s ILE 723 N -1.12 3.31 -0.62 0.00 -1.09 -1.26 -4.78 121.20 115.64 1pyt s ILE 723 Ca 0.00 0.31 -0.32 0.00 -2.23 0.00 0.00 60.65 58.41 1pyt s ILE 723 Cb 0.00 -3.43 -0.17 0.00 -1.58 0.00 0.00 42.46 37.27 1pyt s ILE 723 CO 0.00 -0.29 2.02 -0.81 -1.23 0.00 0.00 174.94 174.63 1pyt n PRO 724 N 8.58 0.00 -0.84 2.79 -0.04 -1.26 -0.15 135.00 144.08 1pyt n PRO 724 Ca 0.25 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.71 1pyt n PRO 724 Cb 0.47 -1.26 0.00 0.00 -0.04 0.00 0.00 33.50 32.66 1pyt n PRO 724 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1pyt n HIS 725 N 7.49 0.00 1.38 0.54 8.25 -1.26 -4.98 115.22 126.64 1pyt n HIS 725 Ca 0.51 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 58.02 1pyt n HIS 725 Cb -0.01 -0.42 0.22 0.00 1.12 0.00 0.00 29.99 30.91 1pyt n HIS 725 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1pyt n SER 726 N 1.35 1.12 -2.96 0.41 3.41 0.79 -4.04 113.62 113.69 1pyt n SER 726 Ca 0.00 -1.85 -0.14 0.00 -0.26 0.00 0.00 58.87 56.62 1pyt n SER 726 Cb 0.08 -0.12 -0.01 0.00 -0.26 0.00 0.00 64.21 63.90 1pyt n SER 726 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 1pyt n TRP 727 N 0.05 -2.37 0.61 7.33 7.02 -1.26 -4.16 117.44 124.65 1pyt n TRP 727 Ca 0.10 -2.34 0.01 0.00 -1.02 0.00 0.00 57.50 54.25 1pyt n TRP 727 Cb 0.20 0.88 0.07 0.00 -2.42 0.00 0.00 31.31 30.04 1pyt n TRP 727 CO 0.00 0.00 0.00 -0.35 -2.02 0.00 0.00 177.69 175.32 1pyt n PRO 728 N 2.09 0.30 -0.12 -0.99 -0.04 -1.26 -2.42 135.00 132.56 1pyt n PRO 728 Ca 0.17 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.69 1pyt n PRO 728 Cb 0.57 -1.12 0.12 0.00 -0.04 0.00 0.00 33.50 33.03 1pyt n PRO 728 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1pyt n TRP 729 N -0.62 0.32 -2.77 0.54 2.14 -1.13 -0.34 117.44 115.59 1pyt n TRP 729 Ca 0.02 -0.34 -0.42 0.00 2.07 0.00 0.00 57.50 58.82 1pyt n TRP 729 Cb 0.01 -0.02 -0.03 0.00 -0.81 0.00 0.00 31.31 30.46 1pyt n TRP 729 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 1pyt s GLN 730 N -0.98 4.20 0.25 -2.67 2.00 -1.02 -0.02 119.66 121.42 1pyt s GLN 730 Ca 0.20 1.13 0.10 0.00 -2.00 0.00 0.00 55.36 54.80 1pyt s GLN 730 Cb 0.11 -3.65 -0.05 0.00 0.80 0.00 0.00 33.01 30.22 1pyt s GLN 730 CO 0.15 -0.61 -0.17 0.96 -0.50 0.00 0.00 175.29 175.13 1pyt s ILE 731 N 3.08 2.15 -0.17 -2.34 -0.00 -0.96 -4.48 121.20 118.46 1pyt s ILE 731 Ca 0.40 -2.32 0.01 0.00 -0.00 0.00 0.00 60.65 58.74 1pyt s ILE 731 Cb -0.15 -2.20 0.02 0.00 -0.00 0.00 0.00 42.46 40.13 1pyt s ILE 731 CO 0.07 -0.48 -0.20 -0.55 -0.00 0.00 0.00 174.94 173.79 1pyt s SER 732 N -3.43 3.17 -0.24 4.36 0.15 -0.94 -2.59 113.70 114.17 1pyt s SER 732 Ca 0.27 -0.63 -0.21 0.00 0.70 0.00 0.00 55.95 56.07 1pyt s SER 732 Cb -0.03 -1.48 -0.02 0.00 -1.71 0.00 0.00 66.02 62.78 1pyt s SER 732 CO 0.11 0.01 0.68 -0.22 1.20 0.00 0.00 173.24 175.03 1pyt s LEU 733 N 1.20 4.08 0.13 3.45 2.96 0.41 -1.11 118.68 129.81 1pyt s LEU 733 Ca 0.03 0.81 0.10 0.00 -0.22 0.00 0.00 54.13 54.85 1pyt s LEU 733 Cb -0.14 -2.95 -0.04 0.00 0.50 0.00 0.00 46.19 43.57 1pyt s LEU 733 CO -0.11 -0.39 -0.23 -1.10 -1.32 0.00 0.00 176.35 173.20 1pyt s GLN 734 N 2.51 1.30 0.17 1.98 -0.21 -0.68 -0.95 119.66 123.78 1pyt s GLN 734 Ca 0.29 -1.31 0.11 0.00 0.02 0.00 0.00 55.36 54.47 1pyt s GLN 734 Cb -0.15 -1.64 -0.04 0.00 1.00 0.00 0.00 33.01 32.17 1pyt s GLN 734 CO 0.08 0.37 -0.25 1.52 -2.12 0.00 0.00 175.29 174.90 1pyt s TYR 735 N -1.30 2.28 0.11 0.91 -0.85 -0.14 -0.85 117.35 117.52 1pyt s TYR 735 Ca 0.12 -0.37 -0.09 0.00 -0.52 0.00 0.00 57.07 56.22 1pyt s TYR 735 Cb -0.09 -1.16 -0.06 0.00 0.38 0.00 0.00 41.96 41.03 1pyt s TYR 735 CO 0.06 0.45 0.42 -1.17 -1.52 0.00 0.00 175.55 173.78 1pyt s LEU 736 N -2.49 4.31 -0.25 -3.49 2.96 -1.04 -0.83 118.68 117.85 1pyt s LEU 736 Ca 0.18 0.77 -0.02 0.00 -0.22 0.00 0.00 54.13 54.84 1pyt s LEU 736 Cb -0.08 -3.16 0.13 0.00 0.50 0.00 0.00 46.19 43.58 1pyt s LEU 736 CO 0.09 0.11 0.37 -0.60 -1.32 0.00 0.00 176.35 175.00 1pyt s ARG 736 N -2.20 0.35 0.65 1.98 3.52 -0.88 -4.75 118.95 117.63 1pyt s ARG 736 Ca 0.37 0.48 0.00 0.00 -0.13 0.00 0.00 55.73 56.45 1pyt s ARG 736 Cb -0.13 -0.49 0.00 0.00 -1.56 0.00 0.00 34.95 32.77 1pyt s ARG 736 CO 0.20 -0.68 0.00 -0.25 -0.81 0.00 0.00 175.30 173.76 1pyt n ASP 736 N 5.36 0.00 0.00 -2.12 8.00 -1.26 -2.83 116.55 123.70 1pyt n ASP 736 Ca -0.03 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.47 1pyt n ASP 736 Cb 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.60 1pyt n ASP 736 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1pyt n ASN 736 N 3.67 0.00 -4.78 -2.24 4.05 -1.26 -5.10 115.26 109.60 1pyt n ASN 736 Ca 0.00 0.00 -0.37 0.00 0.45 0.00 0.00 54.58 54.66 1pyt n ASN 736 Cb 0.00 0.00 -0.03 0.00 1.23 0.00 0.00 39.78 40.98 1pyt n ASN 736 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 177.26 174.63 1pyt s THR 737 N -1.00 3.56 -0.14 -0.44 -4.23 -1.13 -5.03 115.64 107.24 1pyt s THR 737 Ca 0.00 1.24 -0.07 0.00 -1.18 0.00 0.00 61.69 61.68 1pyt s THR 737 Cb 0.00 -3.66 -0.04 0.00 1.34 0.00 0.00 72.50 70.14 1pyt s THR 737 CO 0.00 0.05 0.11 0.26 -0.54 0.00 0.00 174.62 174.50 1pyt s TRP 738 N -1.57 3.46 -0.03 3.99 0.52 -1.26 -2.06 118.94 121.99 1pyt s TRP 738 Ca 0.57 0.39 0.03 0.00 0.02 0.00 0.00 56.10 57.11 1pyt s TRP 738 Cb -0.25 -1.97 0.00 0.00 -1.15 0.00 0.00 33.47 30.10 1pyt s TRP 738 CO 0.31 0.55 -0.10 1.03 0.02 0.00 0.00 176.95 178.76 1pyt s ARG 739 N -0.60 1.04 0.11 4.98 0.52 -0.01 -4.92 118.95 120.07 1pyt s ARG 739 Ca 0.12 -0.34 -0.30 0.00 -0.52 0.00 0.00 55.73 54.69 1pyt s ARG 739 Cb -0.12 -0.96 -0.06 0.00 0.52 0.00 0.00 34.95 34.33 1pyt s ARG 739 CO 0.02 0.13 1.03 -1.58 0.02 0.00 0.00 175.30 174.93 1pyt s HIS 740 N 0.16 3.68 -0.04 -0.53 5.65 -1.26 -0.96 115.29 121.99 1pyt s HIS 740 Ca -0.03 1.67 -0.01 0.00 0.25 0.00 0.00 55.06 56.93 1pyt s HIS 740 Cb -0.09 -3.17 -0.02 0.00 -1.18 0.00 0.00 32.58 28.12 1pyt s HIS 740 CO 0.01 -0.24 -0.05 2.41 -0.65 0.00 0.00 174.74 176.22 1pyt n THR 741 N 2.96 0.22 -4.41 0.89 -1.04 -0.12 -4.96 114.28 107.81 1pyt n THR 741 Ca 0.04 -0.06 -0.20 0.00 -2.04 0.00 0.00 64.05 61.78 1pyt n THR 741 Cb 0.48 -1.33 -0.10 0.00 -1.82 0.00 0.00 70.33 67.56 1pyt n THR 741 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1pyt s GLY 743 N -3.42 1.84 0.13 0.00 0.00 -0.60 -0.44 107.32 104.83 1pyt s GLY 743 Ca 0.32 -1.98 -0.22 0.00 0.00 0.00 0.00 44.72 42.85 1pyt s GLY 743 CO 0.13 -1.68 1.02 0.61 0.00 0.00 0.00 173.10 173.18 1pyt n GLY 744 N -2.11 0.55 3.09 0.20 0.00 -1.07 -4.38 105.19 101.47 1pyt n GLY 744 Ca 0.12 -1.11 -0.25 0.00 0.00 0.00 0.00 46.02 44.78 1pyt n GLY 744 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pyt s THR 745 N -2.07 1.26 0.09 2.61 2.01 -0.71 -2.28 115.64 116.55 1pyt s THR 745 Ca 0.23 -0.61 -0.29 0.00 0.31 0.00 0.00 61.69 61.33 1pyt s THR 745 Cb -0.02 -1.10 -0.05 0.00 0.01 0.00 0.00 72.50 71.33 1pyt s THR 745 CO 0.04 0.37 0.93 -0.22 -0.69 0.00 0.00 174.62 175.05 1pyt s LEU 746 N 0.18 4.48 0.00 4.42 0.20 0.97 -1.75 118.68 127.18 1pyt s LEU 746 Ca -0.06 1.72 0.00 0.00 0.69 0.00 0.00 54.13 56.48 1pyt s LEU 746 Cb -0.12 -3.52 0.00 0.00 -0.43 0.00 0.00 46.19 42.12 1pyt s LEU 746 CO 0.02 -0.07 0.18 2.30 -0.29 0.00 0.00 176.35 178.49 1pyt n ILE 747 N 2.90 0.00 -3.51 6.68 -5.35 -0.81 -2.29 119.36 116.98 1pyt n ILE 747 Ca 0.02 -0.24 -0.09 0.00 -0.27 0.00 0.00 62.75 62.17 1pyt n ILE 747 Cb 0.49 1.37 -0.02 0.00 -1.74 0.00 0.00 39.64 39.75 1pyt n ILE 747 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 1pyt s THR 748 N -0.13 0.00 -1.90 7.28 -4.23 -1.23 -4.85 115.64 110.58 1pyt s THR 748 Ca 0.00 -0.06 0.00 0.00 -1.18 0.00 0.00 61.69 60.45 1pyt s THR 748 Cb 0.00 -1.08 0.00 0.00 1.34 0.00 0.00 72.50 72.76 1pyt s THR 748 CO 0.00 0.00 0.11 -2.65 -0.54 0.00 0.00 174.62 171.54 1pyt n PRO 749 N -0.29 0.12 -2.69 3.99 -0.02 -1.26 -3.16 135.00 131.70 1pyt n PRO 749 Ca -0.10 0.00 -0.05 0.00 -2.02 0.00 0.00 63.50 61.33 1pyt n PRO 749 Cb 0.62 -1.01 0.09 0.00 -0.02 0.00 0.00 33.50 33.19 1pyt n PRO 749 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 1pyt n ASN 750 N -0.40 -1.65 -3.65 2.55 6.94 -1.26 -3.36 115.26 114.43 1pyt n ASN 750 Ca 0.00 -2.31 -0.00 0.00 -0.02 0.00 0.00 54.58 52.24 1pyt n ASN 750 Cb 0.00 1.22 -0.06 0.00 -2.36 0.00 0.00 39.78 38.58 1pyt n ASN 750 CO 0.00 0.00 0.00 -1.00 -1.03 0.00 0.00 177.26 175.23 1pyt s HIS 751 N 0.19 -0.18 -0.05 -2.53 3.76 -1.19 -3.41 115.29 111.88 1pyt s HIS 751 Ca 0.24 0.39 0.03 0.00 -0.15 0.00 0.00 55.06 55.57 1pyt s HIS 751 Cb 0.26 0.22 0.01 0.00 1.11 0.00 0.00 32.58 34.18 1pyt s HIS 751 CO -0.15 -0.09 -0.12 0.08 -0.85 0.00 0.00 174.74 173.62 1pyt s VAL 752 N 0.80 1.04 0.17 -0.90 1.01 -0.48 -1.92 120.40 120.12 1pyt s VAL 752 Ca -0.04 -0.46 -0.17 0.00 0.00 0.00 0.00 61.98 61.31 1pyt s VAL 752 Cb -0.03 -0.93 -0.07 0.00 0.00 0.00 0.00 36.38 35.34 1pyt s VAL 752 CO -0.12 0.32 0.63 -0.22 0.00 0.00 0.00 175.10 175.71 1pyt s LEU 753 N 0.41 4.36 0.30 3.92 2.96 -0.72 -0.42 118.68 129.48 1pyt s LEU 753 Ca -0.09 1.24 -0.20 0.00 -0.22 0.00 0.00 54.13 54.87 1pyt s LEU 753 Cb -0.13 -3.37 0.03 0.00 0.50 0.00 0.00 46.19 43.22 1pyt s LEU 753 CO 0.02 0.09 0.72 0.28 -1.32 0.00 0.00 176.35 176.14 1pyt s THR 754 N -1.46 0.00 0.50 3.68 -1.32 0.10 -1.74 115.64 115.41 1pyt s THR 754 Ca 0.39 -1.02 -0.19 0.00 -1.21 0.00 0.00 61.69 59.66 1pyt s THR 754 Cb -0.16 -2.17 -0.08 0.00 -1.51 0.00 0.00 72.50 68.58 1pyt s THR 754 CO 0.20 0.00 1.03 0.00 -2.21 0.00 0.00 174.62 173.64 1pyt s ALA 755 N -3.63 2.87 0.08 11.08 0.00 -1.26 -0.52 121.76 130.37 1pyt s ALA 755 Ca 0.12 0.53 -0.15 0.00 0.00 0.00 0.00 51.96 52.47 1pyt s ALA 755 Cb -0.06 -3.24 -0.19 0.00 0.00 0.00 0.00 23.12 19.64 1pyt s ALA 755 CO 0.08 -0.37 1.24 0.00 0.00 0.00 0.00 175.76 176.71 1pyt h ALA 756 N 1.34 0.22 0.00 0.00 0.00 -1.67 -3.19 119.26 115.96 1pyt h ALA 756 Ca -0.49 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 53.81 1pyt h ALA 756 Cb 1.22 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1pyt h ALA 756 CO 0.59 0.60 0.00 -2.39 0.00 0.00 0.00 179.25 178.05 1pyt n HIS 757 N -3.99 0.00 -0.10 0.00 1.44 -1.26 -1.70 115.22 109.61 1pyt n HIS 757 Ca -0.09 0.00 0.11 0.00 -2.01 0.00 0.00 57.72 55.73 1pyt n HIS 757 Cb 0.75 -0.04 0.29 0.00 0.12 0.00 0.00 29.99 31.11 1pyt n HIS 757 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1pyt s ILE 759 N -1.14 2.47 -0.23 0.00 -1.09 -0.69 -4.95 121.20 115.58 1pyt s ILE 759 Ca 0.45 -0.86 0.02 0.00 -2.23 0.00 0.00 60.65 58.03 1pyt s ILE 759 Cb 0.24 -2.00 0.05 0.00 -1.58 0.00 0.00 42.46 39.16 1pyt s ILE 759 CO 0.31 0.54 -0.14 -0.44 -1.23 0.00 0.00 174.94 173.98 1pyt s SER 760 N 0.53 3.92 0.66 3.58 0.01 -1.26 -5.01 113.70 116.12 1pyt s SER 760 Ca -0.12 -1.11 0.21 0.00 1.31 0.00 0.00 55.95 56.24 1pyt s SER 760 Cb -0.16 -1.49 1.10 0.00 0.21 0.00 0.00 66.02 65.68 1pyt s SER 760 CO 0.04 -0.13 1.62 -0.55 0.41 0.00 0.00 173.24 174.63 1pyt h ASN 761 N 7.85 0.00 0.59 2.44 7.08 -2.00 -2.00 115.58 129.53 1pyt h ASN 761 Ca -0.28 0.00 -0.28 0.00 -3.08 0.00 0.00 56.30 52.66 1pyt h ASN 761 Cb 1.08 0.00 -0.03 0.00 -2.08 0.00 0.00 38.32 37.28 1pyt h ASN 761 CO 0.52 0.00 -1.51 0.74 -2.08 0.00 0.00 177.43 175.10 1pyt h THR 762 N 0.00 1.12 -4.22 6.14 2.02 -2.04 -3.48 112.91 112.45 1pyt h THR 762 Ca 0.02 -2.88 -0.51 0.00 0.77 0.00 0.00 66.41 63.81 1pyt h THR 762 Cb 1.17 2.61 0.10 0.00 -1.74 0.00 0.00 68.15 70.28 1pyt h THR 762 CO -0.00 0.71 0.37 -0.76 0.37 0.00 0.00 175.52 176.20 1pyt s LEU 762 N -6.50 3.35 -0.22 2.58 2.01 -0.75 -5.05 118.68 114.10 1pyt s LEU 762 Ca -0.05 1.95 -0.05 0.00 0.01 0.00 0.00 54.13 55.99 1pyt s LEU 762 Cb 0.08 -4.54 -0.02 0.00 0.01 0.00 0.00 46.19 41.72 1pyt s LEU 762 CO 0.83 -1.63 -0.01 -0.89 1.01 0.00 0.00 176.35 175.66 1pyt s THR 763 N -2.43 3.76 0.39 5.49 2.01 -1.26 -4.96 115.64 118.62 1pyt s THR 763 Ca 0.66 -0.37 0.08 0.00 0.31 0.00 0.00 61.69 62.36 1pyt s THR 763 Cb -0.19 -2.71 -0.02 0.00 0.01 0.00 0.00 72.50 69.58 1pyt s THR 763 CO 0.43 0.41 0.37 -0.31 -0.69 0.00 0.00 174.62 174.83 1pyt s TYR 764 N 1.32 2.80 0.02 4.92 2.02 -1.26 -2.50 117.35 124.66 1pyt s TYR 764 Ca 0.04 -0.41 -0.11 0.00 -0.37 0.00 0.00 57.07 56.22 1pyt s TYR 764 Cb -0.15 -2.07 0.01 0.00 -0.40 0.00 0.00 41.96 39.36 1pyt s TYR 764 CO 0.00 -0.05 0.22 0.50 -1.57 0.00 0.00 175.55 174.65 1pyt s ARG 765 N -4.11 0.65 -0.13 -0.62 3.52 -0.03 -4.18 118.95 114.05 1pyt s ARG 765 Ca 0.46 -0.45 0.00 0.00 -0.13 0.00 0.00 55.73 55.61 1pyt s ARG 765 Cb -0.05 0.27 -0.02 0.00 -1.56 0.00 0.00 34.95 33.60 1pyt s ARG 765 CO 0.28 -0.18 -0.13 0.08 -0.81 0.00 0.00 175.30 174.54 1pyt s VAL 766 N -1.96 3.06 -0.31 7.11 1.01 0.11 -1.69 120.40 127.73 1pyt s VAL 766 Ca -0.10 -0.66 -0.10 0.00 0.00 0.00 0.00 61.98 61.12 1pyt s VAL 766 Cb -0.04 -2.28 -0.01 0.00 0.00 0.00 0.00 36.38 34.05 1pyt s VAL 766 CO -0.00 0.53 0.16 0.00 0.00 0.00 0.00 175.10 175.78 1pyt s ALA 767 N 0.28 3.31 0.03 5.51 0.00 -0.27 0.34 121.76 130.96 1pyt s ALA 767 Ca -0.10 -1.37 0.04 0.00 0.00 0.00 0.00 51.96 50.53 1pyt s ALA 767 Cb -0.16 -2.40 -0.04 0.00 0.00 0.00 0.00 23.12 20.52 1pyt s ALA 767 CO 0.05 -0.89 -0.04 -0.51 0.00 0.00 0.00 175.76 174.38 1pyt s LEU 768 N 1.63 3.30 -0.67 0.00 1.43 -0.74 -2.22 118.68 121.41 1pyt s LEU 768 Ca 0.05 -0.15 -0.01 0.00 -1.03 0.00 0.00 54.13 52.99 1pyt s LEU 768 Cb -0.17 -1.95 -0.02 0.00 0.03 0.00 0.00 46.19 44.08 1pyt s LEU 768 CO 0.07 0.25 0.57 0.61 0.23 0.00 0.00 176.35 178.07 1pyt n GLY 769 N 1.19 -0.14 3.61 -3.19 0.00 -1.26 0.12 105.19 105.53 1pyt n GLY 769 Ca -0.14 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.60 1pyt n GLY 769 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pyt s LYS 770 N -4.42 1.98 0.00 1.61 1.02 -1.26 -3.72 119.74 114.95 1pyt s LYS 770 Ca 0.10 -2.19 0.00 0.00 0.02 0.00 0.00 55.97 53.90 1pyt s LYS 770 Cb -0.01 -1.20 0.00 0.00 -0.52 0.00 0.00 37.83 36.09 1pyt s LYS 770 CO 0.43 -0.29 0.00 -1.71 -0.92 0.00 0.00 175.35 172.86 1pyt n ASN 771 N -1.10 0.00 -4.12 2.83 4.05 -1.26 -4.58 115.26 111.08 1pyt n ASN 771 Ca -0.10 0.00 -0.33 0.00 0.45 0.00 0.00 54.58 54.60 1pyt n ASN 771 Cb 0.66 0.00 -0.15 0.00 1.23 0.00 0.00 39.78 41.52 1pyt n ASN 771 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 177.26 174.42 1pyt s ASN 772 N -1.69 3.73 0.49 1.20 3.84 -1.24 0.49 114.94 121.76 1pyt s ASN 772 Ca 0.00 -0.89 0.22 0.00 0.21 0.00 0.00 52.86 52.40 1pyt s ASN 772 Cb 0.00 -1.54 1.26 0.00 -0.55 0.00 0.00 41.25 40.43 1pyt s ASN 772 CO 0.00 -0.08 2.03 -0.07 -2.79 0.00 0.00 177.10 176.19 1pyt h LEU 773 N 7.91 0.00 -3.15 3.21 4.07 -1.53 -3.14 115.31 122.67 1pyt h LEU 773 Ca -0.36 0.00 -0.16 0.00 0.08 0.00 0.00 57.88 57.44 1pyt h LEU 773 Cb 1.11 0.00 -0.07 0.00 1.08 0.00 0.00 40.66 42.78 1pyt h LEU 773 CO 0.58 0.16 0.21 -0.62 -1.08 0.00 0.00 178.44 177.68 1pyt n GLU 774 N -3.87 1.40 -4.15 1.13 1.02 -1.26 -4.82 120.64 110.09 1pyt n GLU 774 Ca -0.02 -0.79 -0.10 0.00 -0.02 0.00 0.00 57.16 56.23 1pyt n GLU 774 Cb 0.25 -1.31 -0.10 0.00 -0.02 0.00 0.00 31.44 30.27 1pyt n GLU 774 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1pyt s VAL 775 N -1.13 0.09 -0.32 2.62 1.01 -1.19 -5.10 120.40 116.38 1pyt s VAL 775 Ca 0.16 -1.91 0.17 0.00 0.00 0.00 0.00 61.98 60.40 1pyt s VAL 775 Cb 0.12 -2.11 0.45 0.00 0.00 0.00 0.00 36.38 34.85 1pyt s VAL 775 CO 0.00 -0.39 1.17 -0.62 0.00 0.00 0.00 175.10 175.26 1pyt n GLU 776 N -0.13 1.34 0.23 2.72 4.71 -1.26 -4.97 120.64 123.28 1pyt n GLU 776 Ca -0.04 -2.72 0.00 0.00 -0.01 0.00 0.00 57.16 54.39 1pyt n GLU 776 Cb 0.64 -0.84 0.00 0.00 -1.01 0.00 0.00 31.44 30.23 1pyt n GLU 776 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1pyt n ASP 777 N -0.53 -3.87 -0.96 1.62 9.92 -1.26 -5.02 116.55 116.45 1pyt n ASP 777 Ca 0.02 0.88 0.00 0.00 -0.53 0.00 0.00 54.79 55.16 1pyt n ASP 777 Cb 0.83 3.61 0.00 0.00 -0.64 0.00 0.00 41.12 44.92 1pyt n ASP 777 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1pyt n GLU 778 N -3.48 -1.23 0.00 -1.24 1.02 -1.26 -4.19 120.64 110.26 1pyt n GLU 778 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1pyt n GLU 778 Cb 0.00 -1.89 0.00 0.00 -0.02 0.00 0.00 31.44 29.53 1pyt n GLU 778 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1pyt n ALA 779 N -0.80 0.00 -2.56 0.62 0.00 -1.26 -4.36 120.51 112.15 1pyt n ALA 779 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 1pyt n ALA 779 Cb 0.12 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.57 1pyt n ALA 779 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1pyt s GLY 779 N 0.00 1.57 0.13 0.00 0.00 -1.26 -4.87 107.32 102.89 1pyt s GLY 779 Ca 0.00 -2.87 -0.10 0.00 0.00 0.00 0.00 44.72 41.75 1pyt s GLY 779 CO 0.00 2.76 0.26 -0.56 0.00 0.00 0.00 173.10 175.56 1pyt s SER 780 N 4.34 0.04 0.35 1.64 0.01 -1.24 -4.36 113.70 114.49 1pyt s SER 780 Ca 0.54 -0.72 -0.12 0.00 1.31 0.00 0.00 55.95 56.97 1pyt s SER 780 Cb 0.04 0.40 0.03 0.00 0.21 0.00 0.00 66.02 66.70 1pyt s SER 780 CO 0.08 -0.83 0.65 -0.22 0.41 0.00 0.00 173.24 173.33 1pyt s LEU 781 N -2.91 0.34 -0.24 2.44 2.96 0.32 -4.93 118.68 116.66 1pyt s LEU 781 Ca 0.11 -1.19 -0.05 0.00 -0.22 0.00 0.00 54.13 52.78 1pyt s LEU 781 Cb 0.04 2.29 0.13 0.00 0.50 0.00 0.00 46.19 49.14 1pyt s LEU 781 CO -0.06 -1.48 0.46 -0.31 -1.32 0.00 0.00 176.35 173.65 1pyt s TYR 782 N -2.86 -1.01 -0.04 5.38 2.02 -1.25 -1.80 117.35 117.79 1pyt s TYR 782 Ca 0.21 1.44 0.04 0.00 -0.37 0.00 0.00 57.07 58.38 1pyt s TYR 782 Cb -0.03 0.32 0.00 0.00 -0.40 0.00 0.00 41.96 41.85 1pyt s TYR 782 CO 0.14 -0.65 -0.15 0.14 -1.57 0.00 0.00 175.55 173.46 1pyt s VAL 783 N 2.67 1.24 0.90 0.71 -7.23 0.15 -4.90 120.40 113.94 1pyt s VAL 783 Ca 0.06 -0.60 -0.11 0.00 -1.81 0.00 0.00 61.98 59.52 1pyt s VAL 783 Cb -0.14 -1.08 0.13 0.00 0.56 0.00 0.00 36.38 35.86 1pyt s VAL 783 CO -0.16 0.36 1.10 -0.83 -0.31 0.00 0.00 175.10 175.26 1pyt s GLY 784 N 0.14 1.64 0.03 2.32 0.00 -1.26 0.09 107.32 110.28 1pyt s GLY 784 Ca -0.05 0.14 -0.01 0.00 0.00 0.00 0.00 44.72 44.81 1pyt s GLY 784 CO 0.02 0.60 0.18 0.14 0.00 0.00 0.00 173.10 174.04 1pyt s VAL 785 N -2.82 5.29 -0.24 1.40 1.01 -1.26 -2.48 120.40 121.30 1pyt s VAL 785 Ca 0.64 -0.33 -0.10 0.00 0.00 0.00 0.00 61.98 62.19 1pyt s VAL 785 Cb -0.19 -3.52 -0.11 0.00 0.00 0.00 0.00 36.38 32.55 1pyt s VAL 785 CO 0.58 0.23 -0.29 -0.67 0.00 0.00 0.00 175.10 174.94 1pyt n ASP 786 N 0.64 1.78 -3.66 3.32 -0.08 0.07 -4.72 116.55 113.90 1pyt n ASP 786 Ca -0.08 0.23 -0.15 0.00 -1.51 0.00 0.00 54.79 53.28 1pyt n ASP 786 Cb 0.52 -0.65 -0.08 0.00 2.34 0.00 0.00 41.12 43.25 1pyt n ASP 786 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 1pyt s THR 787 N -2.44 0.02 -0.23 5.18 2.01 -0.86 -5.02 115.64 114.30 1pyt s THR 787 Ca -0.33 -0.20 0.01 0.00 0.31 0.00 0.00 61.69 61.48 1pyt s THR 787 Cb 0.12 -0.77 0.06 0.00 0.01 0.00 0.00 72.50 71.92 1pyt s THR 787 CO 0.44 -0.11 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.55 1pyt s ILE 788 N -0.88 1.74 -0.36 1.82 1.01 -1.26 -0.21 121.20 123.06 1pyt s ILE 788 Ca -0.09 -1.29 -0.15 0.00 0.00 0.00 0.00 60.65 59.12 1pyt s ILE 788 Cb -0.03 -1.92 -0.01 0.00 0.01 0.00 0.00 42.46 40.51 1pyt s ILE 788 CO 0.05 -0.02 0.32 -0.36 0.00 0.00 0.00 174.94 174.93 1pyt s PHE 789 N 1.31 3.22 0.02 3.97 0.40 -0.13 -4.96 117.98 121.81 1pyt s PHE 789 Ca -0.06 -0.19 -0.10 0.00 -0.60 0.00 0.00 56.93 55.98 1pyt s PHE 789 Cb -0.19 -2.61 -0.05 0.00 0.51 0.00 0.00 43.02 40.68 1pyt s PHE 789 CO -0.06 -0.45 0.34 0.08 0.70 0.00 0.00 175.22 175.83 1pyt s VAL 790 N 1.88 5.17 0.00 -0.44 1.01 -1.26 -0.69 120.40 126.08 1pyt s VAL 790 Ca 0.09 0.46 -0.30 0.00 0.00 0.00 0.00 61.98 62.23 1pyt s VAL 790 Cb -0.17 -3.62 -0.08 0.00 0.00 0.00 0.00 36.38 32.51 1pyt s VAL 790 CO 0.11 0.42 1.99 -2.28 0.00 0.00 0.00 175.10 175.35 1pyt s HIS 791 N -1.25 1.27 -0.77 5.22 2.46 -1.12 -4.83 115.29 116.28 1pyt s HIS 791 Ca 0.27 -0.34 0.00 0.00 0.47 0.00 0.00 55.06 55.46 1pyt s HIS 791 Cb -0.14 -4.21 0.00 0.00 -0.13 0.00 0.00 32.58 28.10 1pyt s HIS 791 CO 0.15 -5.38 0.72 -0.85 -2.47 0.00 0.00 174.74 166.91 1pyt n GLU 792 N 7.68 0.00 -0.10 2.88 0.00 -1.26 -0.29 120.64 129.54 1pyt n GLU 792 Ca 0.21 0.26 0.03 0.00 0.00 0.00 0.00 57.16 57.66 1pyt n GLU 792 Cb 0.42 -1.64 0.09 0.00 0.00 0.00 0.00 31.44 30.30 1pyt n GLU 792 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1pyt n LYS 793 N -1.22 2.89 -1.67 3.44 4.01 -1.26 -5.01 118.16 119.33 1pyt n LYS 793 Ca 0.00 -1.84 -0.45 0.00 -0.51 0.00 0.00 58.31 55.50 1pyt n LYS 793 Cb 0.14 -1.17 -0.03 0.00 -0.51 0.00 0.00 35.03 33.46 1pyt n LYS 793 CO 0.00 0.00 0.00 1.87 -1.11 0.00 0.00 177.40 178.16 1pyt n TRP 794 N -0.03 2.18 -3.88 2.13 -0.00 0.60 -4.74 117.44 113.70 1pyt n TRP 794 Ca 0.07 0.38 -0.29 0.00 -0.00 0.00 0.00 57.50 57.65 1pyt n TRP 794 Cb 0.37 -2.49 -0.16 0.00 -0.00 0.00 0.00 31.31 29.03 1pyt n TRP 794 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 177.69 178.90 1pyt s ASN 795 N 0.54 3.36 0.19 5.87 3.84 -0.46 -4.97 114.94 123.30 1pyt s ASN 795 Ca 0.73 -0.95 -0.11 0.00 0.21 0.00 0.00 52.86 52.73 1pyt s ASN 795 Cb -0.67 -0.97 0.12 0.00 -0.55 0.00 0.00 41.25 39.18 1pyt s ASN 795 CO 0.45 -0.24 1.84 0.28 -2.79 0.00 0.00 177.10 176.65 1pyt h SER 796 N 8.07 0.80 -0.23 -4.21 0.02 -1.93 0.93 113.55 117.00 1pyt h SER 796 Ca -0.19 -0.05 -0.04 0.00 -0.84 0.00 0.00 61.79 60.67 1pyt h SER 796 Cb 1.09 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 63.42 1pyt h SER 796 CO 0.39 0.61 0.00 0.15 -1.14 0.00 0.00 176.83 176.84 1pyt h PHE 797 N 0.92 0.44 0.00 3.45 3.57 -1.99 -3.18 116.94 120.15 1pyt h PHE 797 Ca 0.24 -0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.67 1pyt h PHE 797 Cb -0.06 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 38.57 1pyt h PHE 797 CO -0.02 0.57 -0.65 1.28 -2.23 0.00 0.00 178.31 177.26 1pyt n LEU 798 N -4.66 0.63 -3.61 0.59 4.77 -1.21 -4.98 117.00 108.53 1pyt n LEU 798 Ca -0.04 0.14 -0.24 0.00 -0.03 0.00 0.00 56.01 55.85 1pyt n LEU 798 Cb 0.23 -0.19 0.04 0.00 -2.33 0.00 0.00 43.42 41.18 1pyt n LEU 798 CO 0.37 0.00 -0.05 0.52 -1.33 0.00 0.00 177.39 176.90 1pyt n VAL 799 N -1.95 -5.86 -4.61 4.08 0.31 0.32 -5.00 118.33 105.62 1pyt n VAL 799 Ca 0.04 -0.83 -0.34 0.00 -0.01 0.00 0.00 64.34 63.20 1pyt n VAL 799 Cb 0.41 -4.50 -0.11 0.00 -0.91 0.00 0.00 33.84 28.74 1pyt n VAL 799 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 1pyt s ARG 800 N -5.68 2.83 -1.05 5.55 1.81 -0.95 -4.63 118.95 116.83 1pyt s ARG 800 Ca 0.25 -0.55 -0.01 0.00 -1.72 0.00 0.00 55.73 53.70 1pyt s ARG 800 Cb -0.07 -2.62 -0.02 0.00 -0.45 0.00 0.00 34.95 31.80 1pyt s ARG 800 CO 0.82 0.63 0.89 0.09 -0.68 0.00 0.00 175.30 177.04 1pyt n ASN 801 N 2.34 -3.13 -4.13 0.23 3.02 -1.26 -1.35 115.26 110.98 1pyt n ASN 801 Ca -0.18 -0.58 -0.40 0.00 -0.03 0.00 0.00 54.58 53.39 1pyt n ASN 801 Cb 0.53 -4.71 -0.02 0.00 -0.61 0.00 0.00 39.78 34.96 1pyt n ASN 801 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1pyt n ASP 802 N -2.97 3.81 -4.05 6.41 -0.08 -1.26 -4.44 116.55 113.98 1pyt n ASP 802 Ca -0.21 -2.81 -0.08 0.00 -1.51 0.00 0.00 54.79 50.18 1pyt n ASP 802 Cb 0.64 -1.60 -0.10 0.00 2.34 0.00 0.00 41.12 42.40 1pyt n ASP 802 CO 0.00 0.00 0.00 -0.51 0.12 0.00 0.00 177.20 176.81 1pyt s ILE 803 N 5.26 0.19 -0.19 5.18 2.07 -1.26 -3.59 121.20 128.86 1pyt s ILE 803 Ca 0.55 -1.51 -0.28 0.00 -1.41 0.00 0.00 60.65 58.00 1pyt s ILE 803 Cb 0.08 -1.10 0.09 0.00 0.13 0.00 0.00 42.46 41.66 1pyt s ILE 803 CO 0.04 -0.83 0.83 0.00 -1.91 0.00 0.00 174.94 173.07 1pyt s ALA 804 N -3.09 -1.85 -0.17 1.50 0.00 0.32 -2.78 121.76 115.68 1pyt s ALA 804 Ca -0.01 1.71 0.01 0.00 0.00 0.00 0.00 51.96 53.68 1pyt s ALA 804 Cb 0.02 -0.82 0.01 0.00 0.00 0.00 0.00 23.12 22.33 1pyt s ALA 804 CO -0.07 -0.32 -0.18 -1.17 0.00 0.00 0.00 175.76 174.02 1pyt s LEU 805 N -0.37 2.24 -0.59 0.00 2.96 0.13 -0.72 118.68 122.34 1pyt s LEU 805 Ca -0.03 -0.59 -0.18 0.00 -0.22 0.00 0.00 54.13 53.11 1pyt s LEU 805 Cb -0.03 -1.51 0.11 0.00 0.50 0.00 0.00 46.19 45.27 1pyt s LEU 805 CO 0.02 0.03 0.66 -0.63 -1.32 0.00 0.00 176.35 175.11 1pyt s ILE 806 N 1.13 4.92 -0.48 6.68 1.01 0.43 -0.95 121.20 133.94 1pyt s ILE 806 Ca 0.01 -1.13 -0.29 0.00 0.00 0.00 0.00 60.65 59.24 1pyt s ILE 806 Cb -0.14 -4.46 0.02 0.00 0.01 0.00 0.00 42.46 37.89 1pyt s ILE 806 CO -0.08 -1.07 1.27 -0.75 0.00 0.00 0.00 174.94 174.31 1pyt s LYS 807 N 2.41 3.59 0.01 2.79 2.20 0.70 -1.39 119.74 130.06 1pyt s LYS 807 Ca 0.10 0.64 -0.00 0.00 -0.36 0.00 0.00 55.97 56.34 1pyt s LYS 807 Cb -0.25 -3.99 0.00 0.00 -1.51 0.00 0.00 37.83 32.08 1pyt s LYS 807 CO 0.05 -1.55 0.00 1.28 -0.36 0.00 0.00 175.35 174.77 1pyt n LEU 808 N 8.47 0.00 0.00 5.43 4.77 -1.22 -0.75 117.00 133.70 1pyt n LEU 808 Ca 0.13 -0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.11 1pyt n LEU 808 Cb 0.49 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 1pyt n LEU 808 CO 0.71 -1.40 -0.27 0.00 -1.33 0.00 0.00 177.39 175.10 1pyt n ALA 809 N -3.01 1.69 -2.44 -1.18 0.00 -1.03 -3.51 120.51 111.02 1pyt n ALA 809 Ca -0.00 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.23 1pyt n ALA 809 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.34 1pyt n ALA 809 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1pyt s GLU 810 N -1.38 1.28 0.51 0.00 2.12 -1.26 -5.02 118.70 114.96 1pyt s GLU 810 Ca 0.00 -1.44 0.33 0.00 0.36 0.00 0.00 54.97 54.23 1pyt s GLU 810 Cb 0.00 -1.29 1.47 0.00 0.26 0.00 0.00 34.13 34.56 1pyt s GLU 810 CO 0.00 0.25 1.78 0.00 -0.54 0.00 0.00 175.26 176.75 1pyt h THR 811 N 3.13 0.39 -5.34 -1.70 1.03 -1.98 -3.42 112.91 105.02 1pyt h THR 811 Ca -0.41 -0.03 0.00 0.00 -0.01 0.00 0.00 66.41 65.96 1pyt h THR 811 Cb 1.21 0.30 -0.01 0.00 -1.07 0.00 0.00 68.15 68.58 1pyt h THR 811 CO 0.53 0.02 -1.04 0.52 -0.01 0.00 0.00 175.52 175.54 1pyt n VAL 812 N -4.28-10.38 0.01 0.00 0.31 -1.21 -4.44 118.33 98.33 1pyt n VAL 812 Ca 0.27 1.70 0.04 0.00 -0.01 0.00 0.00 64.34 66.34 1pyt n VAL 812 Cb 1.23 -6.21 0.05 0.00 -0.91 0.00 0.00 33.84 28.00 1pyt n VAL 812 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1pyt n GLU 813 N 0.93 0.00 -3.85 5.55 -0.58 -1.26 -4.76 120.64 116.67 1pyt n GLU 813 Ca -0.04 0.23 -0.33 0.00 -0.42 0.00 0.00 57.16 56.60 1pyt n GLU 813 Cb 0.14 -0.58 0.01 0.00 -0.57 0.00 0.00 31.44 30.44 1pyt n GLU 813 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 1pyt n LEU 814 N -1.38 -1.66 0.00 -4.62 -0.00 -1.26 -4.96 117.00 103.11 1pyt n LEU 814 Ca 0.03 -1.05 0.00 0.00 -0.00 0.00 0.00 56.01 54.99 1pyt n LEU 814 Cb 0.30 -1.82 0.00 0.00 -0.00 0.00 0.00 43.42 41.90 1pyt n LEU 814 CO 0.03 0.47 0.00 0.61 -0.00 0.00 0.00 177.39 178.50 1pyt n GLY 815 N -1.83 1.63 0.00 -3.96 0.00 -1.23 -4.93 105.19 94.87 1pyt n GLY 815 Ca -0.19 -1.83 0.10 0.00 0.00 0.00 0.00 46.02 44.10 1pyt n GLY 815 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1pyt n ASP 816 N 0.00 0.00 0.00 1.61 2.03 -1.26 -3.19 116.55 115.74 1pyt n ASP 816 Ca 0.00 -0.82 0.00 0.00 0.52 0.00 0.00 54.79 54.49 1pyt n ASP 816 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1pyt n ASP 816 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1pyt n THR 817 N -0.93 0.00 -3.88 5.18 -2.24 -1.26 -4.72 114.28 106.43 1pyt n THR 817 Ca 0.15 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.58 1pyt n THR 817 Cb 0.07 1.80 -0.14 0.00 -2.10 0.00 0.00 70.33 69.96 1pyt n THR 817 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1pyt s ILE 818 N 0.00 3.26 0.02 2.28 1.01 -1.19 -4.39 121.20 122.19 1pyt s ILE 818 Ca 0.00 -1.00 -0.02 0.00 0.00 0.00 0.00 60.65 59.63 1pyt s ILE 818 Cb 0.00 -2.72 -0.02 0.00 0.01 0.00 0.00 42.46 39.74 1pyt s ILE 818 CO 0.00 0.09 0.01 -1.58 0.00 0.00 0.00 174.94 173.46 1pyt s GLN 819 N 1.37 0.37 -0.24 2.79 2.00 0.53 -3.54 119.66 122.94 1pyt s GLN 819 Ca -0.00 -0.60 -0.16 0.00 -2.00 0.00 0.00 55.36 52.59 1pyt s GLN 819 Cb -0.17 0.14 -0.03 0.00 0.80 0.00 0.00 33.01 33.74 1pyt s GLN 819 CO -0.01 -0.07 0.43 0.08 -0.50 0.00 0.00 175.29 175.22 1pyt s VAL 820 N -1.60 5.15 1.09 1.34 1.01 -1.26 -2.84 120.40 123.29 1pyt s VAL 820 Ca -0.14 0.74 -0.15 0.00 0.00 0.00 0.00 61.98 62.43 1pyt s VAL 820 Cb -0.08 -3.76 0.23 0.00 0.00 0.00 0.00 36.38 32.77 1pyt s VAL 820 CO -0.01 0.17 1.10 0.00 0.00 0.00 0.00 175.10 176.36 1pyt s ALA 821 N 1.82 0.75 -0.10 5.51 0.00 -0.97 -0.87 121.76 127.91 1pyt s ALA 821 Ca 0.19 -0.60 -0.03 0.00 0.00 0.00 0.00 51.96 51.52 1pyt s ALA 821 Cb -0.15 -3.03 -0.03 0.00 0.00 0.00 0.00 23.12 19.91 1pyt s ALA 821 CO 0.09 -3.18 0.03 0.00 0.00 0.00 0.00 175.76 172.70 1pyt s LEU 823 N -0.84 4.59 1.36 0.00 1.43 -1.26 0.42 118.68 124.37 1pyt s LEU 823 Ca 0.13 1.64 -0.22 0.00 -1.03 0.00 0.00 54.13 54.65 1pyt s LEU 823 Cb -0.12 -3.29 0.34 0.00 0.03 0.00 0.00 46.19 43.15 1pyt s LEU 823 CO 0.03 0.19 0.99 -2.84 0.23 0.00 0.00 176.35 174.95 1pyt s PRO 824 N -1.06 -2.43 0.07 1.29 0.02 -1.26 -4.88 135.00 126.76 1pyt s PRO 824 Ca 0.36 0.05 -0.20 0.00 0.02 0.00 0.00 61.00 61.23 1pyt s PRO 824 Cb -0.23 -1.44 -0.07 0.00 0.02 0.00 0.00 34.50 32.78 1pyt s PRO 824 CO 0.26 -4.53 0.59 -1.12 -0.33 0.00 0.00 177.00 171.87 1pyt s SER 825 N -3.42 7.08 -0.30 2.53 0.01 -1.26 -4.91 113.70 113.44 1pyt s SER 825 Ca 0.70 1.28 -0.31 0.00 1.31 0.00 0.00 55.95 58.93 1pyt s SER 825 Cb -0.12 -2.37 -0.08 0.00 0.21 0.00 0.00 66.02 63.66 1pyt s SER 825 CO 0.57 0.25 2.24 1.21 0.41 0.00 0.00 173.24 177.91 1pyt n GLU 826 N 1.85 1.54 0.00 12.44 2.13 -1.26 -1.15 120.64 136.19 1pyt n GLU 826 Ca -0.09 0.40 0.00 0.00 0.66 0.00 0.00 57.16 58.12 1pyt n GLU 826 Cb 0.51 -2.95 0.00 0.00 0.27 0.00 0.00 31.44 29.27 1pyt n GLU 826 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1pyt n GLY 827 N 6.09 2.15 3.53 8.31 0.00 -1.22 -5.04 105.19 119.01 1pyt n GLY 827 Ca 0.35 0.00 -0.64 0.00 0.00 0.00 0.00 46.02 45.73 1pyt n GLY 827 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1pyt n SER 828 N 0.00 1.11 -2.06 1.61 7.64 -0.30 -4.88 113.62 116.74 1pyt n SER 828 Ca 0.00 1.09 -0.26 0.00 1.01 0.00 0.00 58.87 60.71 1pyt n SER 828 Cb 0.00 -0.84 0.03 0.00 -1.01 0.00 0.00 64.21 62.39 1pyt n SER 828 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1pyt n LEU 829 N 4.14 5.42 0.00 -3.43 4.32 -1.26 -4.87 117.00 121.32 1pyt n LEU 829 Ca 0.32 -4.66 0.00 0.00 -0.02 0.00 0.00 56.01 51.65 1pyt n LEU 829 Cb -0.06 -0.46 0.00 0.00 -1.62 0.00 0.00 43.42 41.29 1pyt n LEU 829 CO 0.86 1.99 0.00 0.18 -1.22 0.00 0.00 177.39 179.19 1pyt n LEU 830 N -0.75 0.00 -4.76 2.23 4.77 -1.26 -4.86 117.00 112.37 1pyt n LEU 830 Ca 0.47 0.00 -0.41 0.00 -0.03 0.00 0.00 56.01 56.04 1pyt n LEU 830 Cb 0.91 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.98 1pyt n LEU 830 CO 0.47 0.00 1.08 -2.16 -1.33 0.00 0.00 177.39 175.45 1pyt s PRO 831 N 0.00 4.26 0.63 3.23 0.04 -1.26 -4.94 135.00 136.96 1pyt s PRO 831 Ca 0.00 2.33 -0.17 0.00 0.04 0.00 0.00 61.00 63.20 1pyt s PRO 831 Cb 0.00 -3.07 -0.06 0.00 0.04 0.00 0.00 34.50 31.41 1pyt s PRO 831 CO 0.00 -0.38 0.68 0.94 0.04 0.00 0.00 177.00 178.28 1pyt n GLN 832 N 1.62 0.56 -0.05 4.56 -0.06 -1.26 -1.43 117.38 121.32 1pyt n GLN 832 Ca 0.04 0.23 0.00 0.00 -2.00 0.00 0.00 57.00 55.27 1pyt n GLN 832 Cb 0.40 -1.91 0.00 0.00 -4.06 0.00 0.00 30.24 24.68 1pyt n GLN 832 CO 0.00 0.00 0.00 -0.25 -0.20 0.00 0.00 177.06 176.61 1pyt n ASP 833 N -0.24 0.00 -4.65 1.69 8.00 0.14 -4.92 116.55 116.56 1pyt n ASP 833 Ca 0.12 0.00 -0.48 0.00 0.71 0.00 0.00 54.79 55.14 1pyt n ASP 833 Cb 0.48 -0.54 -0.05 0.00 -0.02 0.00 0.00 41.12 40.99 1pyt n ASP 833 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1pyt n TYR 834 N -2.00 2.11 -2.24 1.24 4.19 -0.51 -4.45 117.16 115.49 1pyt n TYR 834 Ca 0.00 0.32 -0.43 0.00 3.31 0.00 0.00 57.90 61.11 1pyt n TYR 834 Cb 0.00 -2.51 -0.02 0.00 0.49 0.00 0.00 39.34 37.30 1pyt n TYR 834 CO 0.00 0.00 0.00 -1.25 0.91 0.00 0.00 176.86 176.52 1pyt s PRO 835 N 1.31 4.16 0.16 2.98 0.04 -1.26 -1.65 135.00 140.74 1pyt s PRO 835 Ca 0.82 1.83 0.04 0.00 0.04 0.00 0.00 61.00 63.73 1pyt s PRO 835 Cb -0.76 -3.88 -0.05 0.00 0.04 0.00 0.00 34.50 29.86 1pyt s PRO 835 CO 0.43 -0.83 -0.07 0.00 0.04 0.00 0.00 177.00 176.57 1pyt s PHE 837 N -3.43 2.18 -0.85 0.00 0.08 0.97 -0.05 117.98 116.88 1pyt s PHE 837 Ca 0.19 -1.07 -0.17 0.00 0.12 0.00 0.00 56.93 56.00 1pyt s PHE 837 Cb 0.04 -1.55 0.16 0.00 -0.57 0.00 0.00 43.02 41.11 1pyt s PHE 837 CO 0.02 -0.53 0.93 0.14 -0.10 0.00 0.00 175.22 175.68 1pyt s VAL 838 N 0.98 5.10 1.12 -0.44 -7.23 0.08 -1.22 120.40 118.79 1pyt s VAL 838 Ca -0.06 -1.87 -0.19 0.00 -1.81 0.00 0.00 61.98 58.05 1pyt s VAL 838 Cb -0.15 -4.62 0.27 0.00 0.56 0.00 0.00 36.38 32.44 1pyt s VAL 838 CO -0.02 -1.27 1.21 0.35 -0.31 0.00 0.00 175.10 175.06 1pyt n THR 839 N 4.88 0.00 0.00 5.32 -2.24 -1.24 -3.48 114.28 117.52 1pyt n THR 839 Ca 0.16 -0.72 0.00 0.00 -2.27 0.00 0.00 64.05 61.22 1pyt n THR 839 Cb 0.47 -1.37 0.00 0.00 -2.10 0.00 0.00 70.33 67.34 1pyt n THR 839 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pyt n GLY 840 N -4.32 3.94 1.91 3.38 0.00 -1.13 -3.65 105.19 105.32 1pyt n GLY 840 Ca 0.16 -1.59 -0.15 0.00 0.00 0.00 0.00 46.02 44.44 1pyt n GLY 840 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1pyt n TRP 841 N -2.00 2.30 0.00 1.61 8.01 -1.10 -0.81 117.44 125.45 1pyt n TRP 841 Ca 0.00 -1.41 0.00 0.00 -1.31 0.00 0.00 57.50 54.78 1pyt n TRP 841 Cb 0.00 -0.74 0.00 0.00 -2.01 0.00 0.00 31.31 28.56 1pyt n TRP 841 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1pyt n GLY 842 N -0.60 2.11 0.00 6.99 0.00 0.13 -4.38 105.19 109.43 1pyt n GLY 842 Ca 0.43 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.44 1pyt n GLY 842 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1pyt n ARG 843 N 0.00 0.00 0.10 1.61 3.00 -1.26 -4.13 116.66 115.98 1pyt n ARG 843 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1pyt n ARG 843 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 1pyt n ARG 843 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 1pyt n LEU 844 N 0.00 -0.73 -0.67 6.15 0.00 -1.26 -3.89 117.00 116.60 1pyt n LEU 844 Ca 0.00 0.35 0.12 0.00 0.00 0.00 0.00 56.01 56.49 1pyt n LEU 844 Cb 0.00 0.83 0.21 0.00 0.00 0.00 0.00 43.42 44.47 1pyt n LEU 844 CO 0.00 -0.51 0.63 0.00 0.00 0.00 0.00 177.39 177.51 1pyt n TYR 846 N -3.07 0.00 0.00 1.96 4.11 -1.26 -4.98 117.16 113.92 1pyt n TYR 846 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.90 1pyt n TYR 846 Cb 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 39.34 39.33 1pyt n TYR 846 CO 0.00 0.00 0.00 -2.37 -0.00 0.00 0.00 176.86 174.49 1pyt n THR 847 N 0.58 0.00 -1.45 -3.48 5.66 -1.26 -4.74 114.28 109.59 1pyt n THR 847 Ca 0.14 0.00 -0.34 0.00 -3.05 0.00 0.00 64.05 60.80 1pyt n THR 847 Cb 0.49 0.00 -0.08 0.00 -1.55 0.00 0.00 70.33 69.19 1pyt n THR 847 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 1pyt n ASN 848 N 0.00 2.32 -3.64 1.09 4.13 -1.26 -4.60 115.26 113.29 1pyt n ASN 848 Ca 0.00 -2.63 -0.04 0.00 1.68 0.00 0.00 54.58 53.59 1pyt n ASN 848 Cb 0.00 -1.34 -0.06 0.00 -1.54 0.00 0.00 39.78 36.84 1pyt n ASN 848 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 1pyt s GLY 849 N 6.38 0.17 0.00 7.41 0.00 -1.26 -5.06 107.32 114.95 1pyt s GLY 849 Ca 0.67 3.07 0.00 0.00 0.00 0.00 0.00 44.72 48.46 1pyt s GLY 849 CO 0.17 1.53 0.90 -1.05 0.00 0.00 0.00 173.10 174.66 1pyt n PRO 850 N 1.14 0.00 0.00 2.90 -0.02 -1.26 -4.77 135.00 132.99 1pyt n PRO 850 Ca -0.06 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.42 1pyt n PRO 850 Cb 0.58 -0.94 0.00 0.00 -0.02 0.00 0.00 33.50 33.12 1pyt n PRO 850 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 1pyt n ILE 851 N 4.15 0.00 0.00 4.25 5.41 -1.26 -4.77 119.36 127.15 1pyt n ILE 851 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 1pyt n ILE 851 Cb 0.45 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.38 1pyt n ILE 851 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1pyt n ALA 852 N 0.00 0.00 0.28 -1.39 0.00 -1.26 -4.43 120.51 113.71 1pyt n ALA 852 Ca 0.00 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.62 1pyt n ALA 852 Cb 0.00 0.00 0.92 0.00 0.00 0.00 0.00 19.45 20.37 1pyt n ALA 852 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pyt h ALA 853 N 0.00 1.46 -2.86 0.00 0.00 -1.87 -3.37 119.26 112.62 1pyt h ALA 853 Ca 0.00 -0.00 -0.61 0.00 0.00 0.00 0.00 54.91 54.30 1pyt h ALA 853 Cb 0.00 0.01 -0.12 0.00 0.00 0.00 0.00 17.79 17.67 1pyt h ALA 853 CO 0.00 -0.26 -0.24 -1.21 0.00 0.00 0.00 179.25 177.54 1pyt s GLU 854 N -4.32 4.13 -0.04 0.00 2.02 -1.26 -1.35 118.70 117.88 1pyt s GLU 854 Ca -0.04 0.12 -0.35 0.00 0.02 0.00 0.00 54.97 54.71 1pyt s GLU 854 Cb 0.12 -3.56 -0.13 0.00 0.10 0.00 0.00 34.13 30.66 1pyt s GLU 854 CO 0.41 -0.08 1.73 -0.11 0.02 0.00 0.00 175.26 177.24 1pyt n LEU 855 N 4.63 3.01 -5.02 1.80 7.94 0.18 -4.87 117.00 124.66 1pyt n LEU 855 Ca -0.09 1.03 -0.21 0.00 -1.11 0.00 0.00 56.01 55.63 1pyt n LEU 855 Cb 0.51 -1.33 0.08 0.00 0.53 0.00 0.00 43.42 43.22 1pyt n LEU 855 CO 0.39 -0.27 0.44 -1.10 -1.11 0.00 0.00 177.39 175.73 1pyt s GLN 856 N 2.85 2.01 -0.30 1.96 -1.52 0.01 -2.78 119.66 121.90 1pyt s GLN 856 Ca 0.89 -1.49 -0.22 0.00 -1.95 0.00 0.00 55.36 52.59 1pyt s GLN 856 Cb -0.78 -2.52 0.18 0.00 -0.22 0.00 0.00 33.01 29.67 1pyt s GLN 856 CO 0.50 -1.13 1.32 1.14 -0.25 0.00 0.00 175.29 176.87 1pyt s GLN 857 N -4.87 0.14 0.09 2.91 -2.07 -0.90 -2.82 119.66 112.14 1pyt s GLN 857 Ca 0.64 0.18 -0.21 0.00 -1.82 0.00 0.00 55.36 54.15 1pyt s GLN 857 Cb -0.05 0.06 0.05 0.00 -1.09 0.00 0.00 33.01 31.98 1pyt s GLN 857 CO 0.41 -0.02 0.52 0.20 -1.32 0.00 0.00 175.29 175.08 1pyt s GLY 858 N 0.36 -0.44 0.25 2.60 0.00 -1.23 -2.76 107.32 106.11 1pyt s GLY 858 Ca 0.02 0.46 -0.12 0.00 0.00 0.00 0.00 44.72 45.08 1pyt s GLY 858 CO -0.13 0.16 0.62 0.48 0.00 0.00 0.00 173.10 174.22 1pyt s LEU 859 N -2.29 4.16 -0.03 0.66 0.05 -1.26 -0.74 118.68 119.23 1pyt s LEU 859 Ca -0.02 1.08 0.01 0.00 0.05 0.00 0.00 54.13 55.24 1pyt s LEU 859 Cb -0.00 -3.75 0.02 0.00 -2.05 0.00 0.00 46.19 40.40 1pyt s LEU 859 CO -0.06 -0.09 -0.03 -1.10 -0.55 0.00 0.00 176.35 174.52 1pyt s GLN 860 N -2.73 0.55 -0.30 1.48 1.11 0.93 -4.72 119.66 115.98 1pyt s GLN 860 Ca 0.48 -0.07 -0.13 0.00 0.01 0.00 0.00 55.36 55.65 1pyt s GLN 860 Cb -0.12 -0.60 -0.03 0.00 -1.01 0.00 0.00 33.01 31.25 1pyt s GLN 860 CO 0.20 -0.04 0.29 -1.25 0.01 0.00 0.00 175.29 174.50 1pyt s PRO 861 N 0.65 3.82 0.07 2.91 0.04 -1.26 -1.19 135.00 140.04 1pyt s PRO 861 Ca -0.08 -0.28 -0.37 0.00 0.04 0.00 0.00 61.00 60.32 1pyt s PRO 861 Cb -0.11 -3.71 -0.18 0.00 0.04 0.00 0.00 34.50 30.53 1pyt s PRO 861 CO -0.00 -0.33 1.04 0.28 0.04 0.00 0.00 177.00 178.03 1pyt n VAL 862 N 5.13 0.44 -4.59 -0.36 0.31 -0.66 -3.54 118.33 115.06 1pyt n VAL 862 Ca -0.11 -0.11 -0.33 0.00 -0.01 0.00 0.00 64.34 63.78 1pyt n VAL 862 Cb 0.51 -0.26 -0.14 0.00 -0.91 0.00 0.00 33.84 33.04 1pyt n VAL 862 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1pyt s VAL 863 N -0.10 3.32 0.59 2.52 1.01 -1.14 0.25 120.40 126.84 1pyt s VAL 863 Ca 0.83 -0.56 -0.18 0.00 0.00 0.00 0.00 61.98 62.07 1pyt s VAL 863 Cb -1.11 -2.42 -0.04 0.00 0.00 0.00 0.00 36.38 32.81 1pyt s VAL 863 CO 0.54 0.51 1.14 1.51 0.00 0.00 0.00 175.10 178.80 1pyt s ASP 864 N 0.46 5.43 0.17 3.32 1.47 -1.26 -3.97 116.67 122.29 1pyt s ASP 864 Ca -0.07 2.17 -0.15 0.00 1.18 0.00 0.00 52.55 55.67 1pyt s ASP 864 Cb -0.15 -2.58 0.13 0.00 -0.34 0.00 0.00 42.92 39.98 1pyt s ASP 864 CO 0.04 -1.41 1.70 0.22 0.68 0.00 0.00 175.17 176.39 1pyt h TYR 865 N 0.80 -0.01 -1.00 2.11 5.03 -1.95 0.24 116.97 122.20 1pyt h TYR 865 Ca -0.49 0.03 0.23 0.00 2.58 0.00 0.00 58.73 61.07 1pyt h TYR 865 Cb 1.26 0.07 -0.10 0.00 1.55 0.00 0.00 36.73 39.52 1pyt h TYR 865 CO 0.51 -0.08 0.63 0.00 -1.32 0.00 0.00 178.16 177.91 1pyt h ALA 866 N 1.36 1.99 0.05 1.82 0.00 -1.99 -0.15 119.26 122.35 1pyt h ALA 866 Ca 0.21 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 1pyt h ALA 866 Cb 0.29 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1pyt h ALA 866 CO -0.34 -0.37 -0.03 1.15 0.00 0.00 0.00 179.25 179.67 1pyt h THR 867 N 0.54 1.18 -0.19 0.00 2.02 -1.21 -3.33 112.91 111.92 1pyt h THR 867 Ca 0.57 -1.61 0.05 0.00 0.77 0.00 0.00 66.41 66.20 1pyt h THR 867 Cb 1.20 2.11 -0.06 0.00 -1.74 0.00 0.00 68.15 69.67 1pyt h THR 867 CO -0.32 0.36 -0.21 0.00 0.37 0.00 0.00 175.52 175.71 1pyt n SER 869 N -5.35 0.00 -4.64 0.00 7.64 -0.14 -1.21 113.62 109.92 1pyt n SER 869 Ca -0.02 0.39 -0.47 0.00 1.01 0.00 0.00 58.87 59.78 1pyt n SER 869 Cb 0.27 -0.39 -0.04 0.00 -1.01 0.00 0.00 64.21 63.04 1pyt n SER 869 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1pyt n GLN 870 N -1.38 1.72 -0.35 1.43 6.02 -0.66 -4.04 117.38 120.12 1pyt n GLN 870 Ca 0.00 0.62 0.24 0.00 -0.01 0.00 0.00 57.00 57.84 1pyt n GLN 870 Cb 0.07 -2.26 0.49 0.00 1.02 0.00 0.00 30.24 29.56 1pyt n GLN 870 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.06 175.96 1pyt h ARG 870 N 4.43 0.36 -0.17 -1.09 2.43 -1.88 0.65 114.38 119.12 1pyt h ARG 870 Ca -0.45 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.70 1pyt h ARG 870 Cb 1.30 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.76 1pyt h ARG 870 CO 0.77 0.24 0.00 -0.25 -1.51 0.00 0.00 179.97 179.23 1pyt n ASP 870 N -4.81 1.62 0.00 -3.80 8.00 -1.26 -3.93 116.55 112.37 1pyt n ASP 870 Ca 0.29 -1.72 0.00 0.00 0.71 0.00 0.00 54.79 54.08 1pyt n ASP 870 Cb 0.96 -0.11 0.00 0.00 -0.02 0.00 0.00 41.12 41.95 1pyt n ASP 870 CO 0.00 0.00 0.00 0.79 -0.39 0.00 0.00 177.20 177.60 1pyt n TRP 871 N 0.30 0.00 -1.10 1.24 7.02 0.22 -4.91 117.44 120.21 1pyt n TRP 871 Ca 0.16 0.00 -0.02 0.00 -1.02 0.00 0.00 57.50 56.62 1pyt n TRP 871 Cb 0.32 0.00 0.28 0.00 -2.42 0.00 0.00 31.31 29.49 1pyt n TRP 871 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 1pyt n TRP 872 N 0.00 1.86 0.00 -5.99 5.03 -0.35 -4.82 117.44 113.17 1pyt n TRP 872 Ca 0.00 -1.19 0.00 0.00 3.03 0.00 0.00 57.50 59.34 1pyt n TRP 872 Cb 0.00 -0.56 0.00 0.00 -1.03 0.00 0.00 31.31 29.72 1pyt n TRP 872 CO 0.00 0.00 0.00 0.41 -0.03 0.00 0.00 177.69 178.07 1pyt n GLY 873 N -0.41 1.10 0.22 6.99 0.00 -0.92 -2.50 105.19 109.67 1pyt n GLY 873 Ca 0.35 -0.04 -0.05 0.00 0.00 0.00 0.00 46.02 46.28 1pyt n GLY 873 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1pyt h THR 874 N 0.00 1.30 -0.62 2.61 2.02 -1.88 -3.32 112.91 113.03 1pyt h THR 874 Ca 0.00 -1.53 0.11 0.00 0.77 0.00 0.00 66.41 65.76 1pyt h THR 874 Cb 0.00 1.57 -0.11 0.00 -1.74 0.00 0.00 68.15 67.87 1pyt h THR 874 CO 0.00 0.47 -0.20 0.41 0.37 0.00 0.00 175.52 176.58 1pyt n THR 875 N -4.04 -0.29 -1.30 3.16 -1.04 -1.04 -4.44 114.28 105.29 1pyt n THR 875 Ca -0.01 1.43 -0.31 0.00 -2.04 0.00 0.00 64.05 63.11 1pyt n THR 875 Cb 0.49 -1.93 0.09 0.00 -1.82 0.00 0.00 70.33 67.16 1pyt n THR 875 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1pyt s VAL 876 N -5.68 3.34 0.04 12.58 1.01 -1.19 -5.03 120.40 125.47 1pyt s VAL 876 Ca -0.09 0.44 -0.10 0.00 0.00 0.00 0.00 61.98 62.22 1pyt s VAL 876 Cb 0.15 -2.96 0.01 0.00 0.00 0.00 0.00 36.38 33.57 1pyt s VAL 876 CO 0.46 -0.57 0.22 -0.54 0.00 0.00 0.00 175.10 174.67 1pyt s LYS 877 N -4.93 0.73 0.00 2.72 -0.14 -1.26 -5.02 119.74 111.84 1pyt s LYS 877 Ca 0.61 -0.62 0.00 0.00 -1.36 0.00 0.00 55.97 54.60 1pyt s LYS 877 Cb -0.17 0.30 0.00 0.00 -1.68 0.00 0.00 37.83 36.29 1pyt s LYS 877 CO 0.56 -0.22 0.81 0.39 -0.76 0.00 0.00 175.35 176.14 1pyt n GLU 878 N 0.62 0.00 -0.04 1.68 1.02 -1.26 -0.31 120.64 122.34 1pyt n GLU 878 Ca -0.19 0.31 0.12 0.00 -0.02 0.00 0.00 57.16 57.39 1pyt n GLU 878 Cb 0.59 -1.69 0.48 0.00 -0.02 0.00 0.00 31.44 30.80 1pyt n GLU 878 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1pyt n THR 879 N -1.32 0.11 -4.25 2.62 -2.24 -1.26 -4.88 114.28 103.06 1pyt n THR 879 Ca -0.00 -0.26 -0.28 0.00 -2.27 0.00 0.00 64.05 61.24 1pyt n THR 879 Cb 0.19 0.28 -0.09 0.00 -2.10 0.00 0.00 70.33 68.61 1pyt n THR 879 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 1pyt s MET 880 N -1.89 2.11 -0.08 -0.78 -1.94 0.57 -1.70 119.30 115.60 1pyt s MET 880 Ca 0.35 -1.14 0.01 0.00 -1.71 0.00 0.00 55.69 53.19 1pyt s MET 880 Cb 0.18 -2.24 -0.03 0.00 2.01 0.00 0.00 34.83 34.75 1pyt s MET 880 CO 0.29 0.47 -0.08 0.08 -0.01 0.00 0.00 175.02 175.76 1pyt s VAL 881 N -1.47 3.55 0.40 -6.03 1.01 -0.41 -4.76 120.40 112.68 1pyt s VAL 881 Ca 0.23 -0.53 0.08 0.00 0.00 0.00 0.00 61.98 61.76 1pyt s VAL 881 Cb -0.10 -2.45 -0.01 0.00 0.00 0.00 0.00 36.38 33.81 1pyt s VAL 881 CO 0.15 0.58 0.41 0.00 0.00 0.00 0.00 175.10 176.24 1pyt s ALA 883 N -2.41 -2.45 0.00 0.00 0.00 -0.79 -2.88 121.76 113.23 1pyt s ALA 883 Ca 0.48 0.29 0.00 0.00 0.00 0.00 0.00 51.96 52.74 1pyt s ALA 883 Cb -0.05 0.71 0.00 0.00 0.00 0.00 0.00 23.12 23.78 1pyt s ALA 883 CO 0.29 -1.12 0.00 0.41 0.00 0.00 0.00 175.76 175.34 1pyt n GLY 884 N -0.77 1.59 2.74 0.00 0.00 -1.23 -0.63 105.19 106.88 1pyt n GLY 884 Ca -0.00 -1.32 -0.28 0.00 0.00 0.00 0.00 46.02 44.42 1pyt n GLY 884 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1pyt s GLY 885 N 0.00 0.72 0.00 -0.02 0.00 -1.26 -4.72 107.32 102.03 1pyt s GLY 885 Ca 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 44.72 44.01 1pyt s GLY 885 CO 0.00 1.42 0.00 1.22 0.00 0.00 0.00 173.10 175.74 1pyt n ASP 886 N 5.04 0.00 0.00 1.64 8.00 -1.26 -4.76 116.55 125.21 1pyt n ASP 886 Ca -0.09 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.41 1pyt n ASP 886 Cb 0.47 -0.44 0.00 0.00 -0.02 0.00 0.00 41.12 41.13 1pyt n ASP 886 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1pyt n GLY 887 N 0.00 0.38 0.00 0.44 0.00 -1.26 -4.95 105.19 99.80 1pyt n GLY 887 Ca 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.34 1pyt n GLY 887 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1pyt n VAL 888 N 0.00 0.00 0.00 1.61 3.14 -1.26 -4.87 118.33 116.95 1pyt n VAL 888 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 1pyt n VAL 888 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 1pyt n VAL 888 CO 0.00 0.00 0.00 -0.38 -6.46 0.00 0.00 176.83 169.99 1pyt n ILE 888 N 0.00 0.00 0.00 1.55 2.08 -1.26 -4.81 119.36 116.92 1pyt n ILE 888 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 1pyt n ILE 888 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 38.89 1pyt n ILE 888 CO 0.00 0.00 0.00 -1.20 0.56 0.00 0.00 176.55 175.91 1pyt n SER 889 N 0.63 0.00 -2.33 4.38 7.64 -1.26 -4.89 113.62 117.78 1pyt n SER 889 Ca 0.00 0.00 -0.03 0.00 1.01 0.00 0.00 58.87 59.85 1pyt n SER 889 Cb 0.00 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.18 1pyt n SER 889 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1pyt n ALA 890 N 6.45 -3.48 -1.57 -0.43 0.00 -1.26 -4.51 120.51 115.70 1pyt n ALA 890 Ca 0.00 1.32 -0.39 0.00 0.00 0.00 0.00 53.44 54.37 1pyt n ALA 890 Cb 0.00 -2.58 -0.03 0.00 0.00 0.00 0.00 19.45 16.84 1pyt n ALA 890 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pyt h ASN 892 N 17.89 0.00 -3.11 0.00 -1.07 -1.87 -3.35 115.58 124.07 1pyt h ASN 892 Ca -0.31 0.00 -0.59 0.00 0.07 0.00 0.00 56.30 55.47 1pyt h ASN 892 Cb 1.26 0.00 -0.04 0.00 -2.07 0.00 0.00 38.32 37.47 1pyt h ASN 892 CO 1.08 0.50 -0.31 -0.83 0.07 0.00 0.00 177.43 177.95 1pyt s GLY 893 N -4.66 2.26 0.56 9.14 0.00 -1.24 0.18 107.32 113.56 1pyt s GLY 893 Ca -0.01 -0.52 0.02 0.00 0.00 0.00 0.00 44.72 44.22 1pyt s GLY 893 CO 0.79 -0.39 0.78 0.99 0.00 0.00 0.00 173.10 175.28 1pyt s ASP 894 N -2.15 5.18 0.41 1.64 1.11 -1.26 -4.46 116.67 117.14 1pyt s ASP 894 Ca 0.37 -0.17 -0.26 0.00 0.18 0.00 0.00 52.55 52.66 1pyt s ASP 894 Cb -0.13 -0.65 -0.10 0.00 1.07 0.00 0.00 42.92 43.12 1pyt s ASP 894 CO 0.22 -1.21 1.35 -1.20 1.18 0.00 0.00 175.17 175.51 1pyt n SER 895 N -2.34 2.99 -1.22 0.27 7.64 -1.25 -0.09 113.62 119.62 1pyt n SER 895 Ca 0.09 1.15 -0.16 0.00 1.01 0.00 0.00 58.87 60.97 1pyt n SER 895 Cb 0.60 -1.54 -0.07 0.00 -1.01 0.00 0.00 64.21 62.19 1pyt n SER 895 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1pyt n GLY 896 N 0.68 1.59 3.78 0.23 0.00 0.75 -1.55 105.19 110.68 1pyt n GLY 896 Ca 0.05 -0.21 -0.29 0.00 0.00 0.00 0.00 46.02 45.57 1pyt n GLY 896 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1pyt s GLY 897 N -2.78 1.60 0.12 -0.02 0.00 0.87 -3.02 107.32 104.09 1pyt s GLY 897 Ca 0.00 -0.35 -0.13 0.00 0.00 0.00 0.00 44.72 44.24 1pyt s GLY 897 CO 0.00 0.16 0.50 2.56 0.00 0.00 0.00 173.10 176.31 1pyt s PRO 898 N -5.18 3.90 -0.50 2.90 0.04 -1.26 -0.68 135.00 134.22 1pyt s PRO 898 Ca 0.63 0.38 -0.13 0.00 0.04 0.00 0.00 61.00 61.91 1pyt s PRO 898 Cb -0.15 -2.96 0.11 0.00 0.04 0.00 0.00 34.50 31.54 1pyt s PRO 898 CO 0.54 0.51 0.42 -1.17 0.04 0.00 0.00 177.00 177.34 1pyt s LEU 899 N -1.93 5.87 0.13 -3.56 2.96 0.99 -3.71 118.68 119.44 1pyt s LEU 899 Ca 0.36 -1.72 -0.24 0.00 -0.22 0.00 0.00 54.13 52.31 1pyt s LEU 899 Cb -0.15 -2.13 -0.07 0.00 0.50 0.00 0.00 46.19 44.34 1pyt s LEU 899 CO 0.19 -0.75 0.72 0.20 -1.32 0.00 0.00 176.35 175.39 1pyt s ASN 900 N 3.06 7.29 -0.05 3.68 0.01 -0.36 -0.33 114.94 128.25 1pyt s ASN 900 Ca 0.04 1.53 -0.15 0.00 -0.71 0.00 0.00 52.86 53.57 1pyt s ASN 900 Cb -0.27 -2.46 0.03 0.00 0.41 0.00 0.00 41.25 38.95 1pyt s ASN 900 CO 0.03 0.21 0.34 0.00 -1.51 0.00 0.00 177.10 176.16 1pyt s GLN 902 N -0.86 3.92 -0.41 0.00 -0.21 -1.26 0.11 119.66 120.94 1pyt s GLN 902 Ca -0.09 0.54 0.02 0.00 0.02 0.00 0.00 55.36 55.85 1pyt s GLN 902 Cb -0.04 -2.47 0.16 0.00 1.00 0.00 0.00 33.01 31.65 1pyt s GLN 902 CO 0.03 0.15 0.29 0.00 -2.12 0.00 0.00 175.29 173.65 1pyt s ALA 903 N -2.02 1.45 -1.10 6.09 0.00 0.33 -4.84 121.76 121.67 1pyt s ALA 903 Ca 0.52 -2.34 -0.16 0.00 0.00 0.00 0.00 51.96 49.98 1pyt s ALA 903 Cb -0.10 -1.66 -0.03 0.00 0.00 0.00 0.00 23.12 21.33 1pyt s ALA 903 CO 0.21 -2.04 0.83 -0.25 0.00 0.00 0.00 175.76 174.52 1pyt n ASP 904 N 3.27 -5.82 0.00 0.00 8.00 -1.26 -3.94 116.55 116.81 1pyt n ASP 904 Ca 0.21 -0.90 0.00 0.00 0.71 0.00 0.00 54.79 54.81 1pyt n ASP 904 Cb 0.42 -4.00 0.00 0.00 -0.02 0.00 0.00 41.12 37.53 1pyt n ASP 904 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1pyt n GLY 905 N -1.54 1.11 3.34 0.44 0.00 -1.26 -5.03 105.19 102.25 1pyt n GLY 905 Ca -0.08 -0.79 -0.35 0.00 0.00 0.00 0.00 46.02 44.80 1pyt n GLY 905 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1pyt n GLN 906 N 0.00 -0.01 -3.89 1.61 6.02 -1.25 -4.70 117.38 115.16 1pyt n GLN 906 Ca 0.00 0.03 -0.36 0.00 -0.01 0.00 0.00 57.00 56.67 1pyt n GLN 906 Cb 0.00 -1.62 -0.06 0.00 1.02 0.00 0.00 30.24 29.58 1pyt n GLN 906 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 1pyt s TRP 907 N -2.12 3.58 0.08 1.08 0.52 -0.74 0.12 118.94 121.46 1pyt s TRP 907 Ca 0.57 0.46 0.07 0.00 0.02 0.00 0.00 56.10 57.22 1pyt s TRP 907 Cb -0.27 -1.90 -0.04 0.00 -1.15 0.00 0.00 33.47 30.11 1pyt s TRP 907 CO 0.67 0.70 -0.13 -0.51 0.02 0.00 0.00 176.95 177.71 1pyt s ASP 908 N -1.38 4.21 -0.60 2.95 1.01 0.29 -1.90 116.67 121.25 1pyt s ASP 908 Ca 0.20 -0.39 -0.23 0.00 0.71 0.00 0.00 52.55 52.84 1pyt s ASP 908 Cb -0.12 -0.77 0.05 0.00 1.01 0.00 0.00 42.92 43.09 1pyt s ASP 908 CO 0.10 0.21 0.94 -0.69 0.21 0.00 0.00 175.17 175.94 1pyt s VAL 909 N -1.10 4.37 -0.22 -1.27 1.01 0.17 -1.95 120.40 121.40 1pyt s VAL 909 Ca 0.19 -0.05 0.22 0.00 0.00 0.00 0.00 61.98 62.34 1pyt s VAL 909 Cb -0.11 -4.60 -0.03 0.00 0.00 0.00 0.00 36.38 31.65 1pyt s VAL 909 CO 0.10 -1.27 1.00 0.54 0.00 0.00 0.00 175.10 175.48 1pyt n ARG 910 N 7.55 0.61 -3.86 2.72 3.00 0.56 -4.25 116.66 122.98 1pyt n ARG 910 Ca -0.01 0.13 -0.09 0.00 -0.01 0.00 0.00 57.85 57.86 1pyt n ARG 910 Cb 0.46 -1.82 -0.06 0.00 0.00 0.00 0.00 32.46 31.04 1pyt n ARG 910 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1pyt s GLY 911 N -4.43 0.21 -0.08 -0.13 0.00 -1.17 -2.72 107.32 99.00 1pyt s GLY 911 Ca -0.01 -0.62 0.03 0.00 0.00 0.00 0.00 44.72 44.11 1pyt s GLY 911 CO 0.80 -0.68 -0.17 -0.42 0.00 0.00 0.00 173.10 172.63 1pyt s ILE 912 N -3.91 1.49 0.07 0.90 1.01 -1.08 -0.01 121.20 119.67 1pyt s ILE 912 Ca 0.11 -0.68 -0.31 0.00 0.00 0.00 0.00 60.65 59.78 1pyt s ILE 912 Cb 0.03 -1.33 -0.07 0.00 0.01 0.00 0.00 42.46 41.10 1pyt s ILE 912 CO -0.04 0.43 1.49 -0.69 0.00 0.00 0.00 174.94 176.13 1pyt s VAL 913 N 0.60 3.29 -0.00 2.92 1.01 0.15 0.21 120.40 128.57 1pyt s VAL 913 Ca -0.15 0.80 -0.05 0.00 0.00 0.00 0.00 61.98 62.58 1pyt s VAL 913 Cb -0.16 -3.52 -0.02 0.00 0.00 0.00 0.00 36.38 32.68 1pyt s VAL 913 CO 0.05 0.02 -0.10 -0.24 0.00 0.00 0.00 175.10 174.83 1pyt n SER 914 N 4.93 1.16 -3.72 3.32 2.88 -0.22 -0.18 113.62 121.79 1pyt n SER 914 Ca 0.14 0.17 -0.09 0.00 -1.33 0.00 0.00 58.87 57.75 1pyt n SER 914 Cb 0.42 -0.43 -0.03 0.00 -0.75 0.00 0.00 64.21 63.41 1pyt n SER 914 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 1pyt s PHE 915 N -2.09 0.31 0.00 0.66 -0.12 -0.75 -4.89 117.98 111.10 1pyt s PHE 915 Ca -0.09 -0.72 0.00 0.00 -0.05 0.00 0.00 56.93 56.08 1pyt s PHE 915 Cb 0.01 0.35 0.00 0.00 -0.63 0.00 0.00 43.02 42.75 1pyt s PHE 915 CO 0.13 -1.14 0.00 0.41 -0.05 0.00 0.00 175.22 174.56 1pyt n GLY 916 N -0.44 3.83 0.00 1.99 0.00 -1.26 -1.09 105.19 108.22 1pyt n GLY 916 Ca -0.03 -0.20 0.10 0.00 0.00 0.00 0.00 46.02 45.89 1pyt n GLY 916 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1pyt n SER 917 N 0.00 0.76 0.00 1.61 3.41 -1.26 -5.04 113.62 113.10 1pyt n SER 917 Ca 0.00 -0.68 0.00 0.00 -0.26 0.00 0.00 58.87 57.93 1pyt n SER 917 Cb 0.00 1.27 0.00 0.00 -0.26 0.00 0.00 64.21 65.22 1pyt n SER 917 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1pyt n GLY 917 N 1.43 1.70 0.10 5.00 0.00 -1.26 -4.49 105.19 107.67 1pyt n GLY 917 Ca 0.02 -0.64 -0.03 0.00 0.00 0.00 0.00 46.02 45.37 1pyt n GLY 917 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 173.32 173.49 1pyt h LEU 918 N 0.00 0.00 -6.47 0.99 8.10 -1.96 -3.42 115.31 112.55 1pyt h LEU 918 Ca 0.00 0.00 -0.60 0.00 0.11 0.00 0.00 57.88 57.39 1pyt h LEU 918 Cb 0.00 0.00 -0.42 0.00 -0.44 0.00 0.00 40.66 39.80 1pyt h LEU 918 CO 0.00 0.75 -0.62 -1.20 -4.11 0.00 0.00 178.44 173.27 1pyt n SER 919 N -3.21 3.28 -4.64 0.17 7.64 -1.26 -5.05 113.62 110.55 1pyt n SER 919 Ca -0.02 -3.32 -0.44 0.00 1.01 0.00 0.00 58.87 56.10 1pyt n SER 919 Cb 0.86 -0.69 -0.04 0.00 -1.01 0.00 0.00 64.21 63.33 1pyt n SER 919 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1pyt n ASN 921 N 8.52 -1.82 -4.81 0.00 2.85 -1.26 -4.62 115.26 114.12 1pyt n ASN 921 Ca 0.24 0.00 -0.35 0.00 -0.11 0.00 0.00 54.58 54.37 1pyt n ASN 921 Cb 0.38 -0.45 -0.07 0.00 1.24 0.00 0.00 39.78 40.88 1pyt n ASN 921 CO 0.00 0.00 0.00 -0.89 -2.11 0.00 0.00 177.26 174.26 1pyt s THR 921 N -2.84 4.40 0.25 -0.44 2.01 -0.84 -4.55 115.64 113.62 1pyt s THR 921 Ca 0.00 1.50 -0.30 0.00 0.31 0.00 0.00 61.69 63.20 1pyt s THR 921 Cb 0.00 -3.80 -0.10 0.00 0.01 0.00 0.00 72.50 68.62 1pyt s THR 921 CO 0.00 -0.04 1.35 0.72 -0.69 0.00 0.00 174.62 175.96 1pyt s PHE 922 N -1.83 3.14 -0.99 4.92 -0.71 -1.26 -1.91 117.98 119.34 1pyt s PHE 922 Ca 0.53 1.21 0.00 0.00 -1.04 0.00 0.00 56.93 57.64 1pyt s PHE 922 Cb -0.14 -3.68 0.00 0.00 -1.21 0.00 0.00 43.02 37.99 1pyt s PHE 922 CO 0.19 -2.10 0.00 1.17 -1.34 0.00 0.00 175.22 173.14 1pyt n LYS 923 N 2.07 -0.97 -3.14 1.99 4.81 -1.26 -4.91 118.16 116.75 1pyt n LYS 923 Ca 0.05 0.77 -0.22 0.00 -0.87 0.00 0.00 58.31 58.04 1pyt n LYS 923 Cb 0.42 -4.78 -0.06 0.00 0.02 0.00 0.00 35.03 30.63 1pyt n LYS 923 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1pyt n LYS 924 N -2.08 0.72 -0.93 1.64 4.76 -0.80 -4.34 118.16 117.12 1pyt n LYS 924 Ca -0.09 -3.07 -0.29 0.00 -2.87 0.00 0.00 58.31 51.98 1pyt n LYS 924 Cb 0.39 -1.25 0.18 0.00 -1.84 0.00 0.00 35.03 32.51 1pyt n LYS 924 CO 0.00 0.00 0.00 -2.14 -1.37 0.00 0.00 177.40 173.89 1pyt s PRO 925 N -1.01 0.47 -0.05 1.97 0.02 -1.26 -3.55 135.00 131.58 1pyt s PRO 925 Ca 0.35 0.90 -0.30 0.00 0.02 0.00 0.00 61.00 61.97 1pyt s PRO 925 Cb 0.18 -1.71 -0.03 0.00 0.02 0.00 0.00 34.50 32.96 1pyt s PRO 925 CO -0.12 -2.80 1.11 0.99 -0.33 0.00 0.00 177.00 175.84 1pyt s THR 926 N -2.76 4.48 -0.11 0.99 2.01 0.20 -4.78 115.64 115.67 1pyt s THR 926 Ca 0.66 1.78 -0.15 0.00 0.31 0.00 0.00 61.69 64.28 1pyt s THR 926 Cb -0.21 -4.14 -0.05 0.00 0.01 0.00 0.00 72.50 68.11 1pyt s THR 926 CO 0.59 0.03 0.36 -0.69 -0.69 0.00 0.00 174.62 174.22 1pyt s VAL 927 N 1.90 5.22 0.32 3.82 1.01 -0.25 -1.88 120.40 130.55 1pyt s VAL 927 Ca 0.53 0.70 0.07 0.00 0.00 0.00 0.00 61.98 63.28 1pyt s VAL 927 Cb -0.23 -3.69 -0.06 0.00 0.00 0.00 0.00 36.38 32.40 1pyt s VAL 927 CO 0.22 0.42 -0.04 -0.36 0.00 0.00 0.00 175.10 175.34 1pyt s PHE 928 N 0.10 2.13 -0.09 5.22 0.40 0.85 -1.06 117.98 125.53 1pyt s PHE 928 Ca 0.20 -0.68 -0.15 0.00 -0.60 0.00 0.00 56.93 55.70 1pyt s PHE 928 Cb -0.14 -1.27 -0.05 0.00 0.51 0.00 0.00 43.02 42.06 1pyt s PHE 928 CO 0.08 0.34 0.39 0.99 0.70 0.00 0.00 175.22 177.71 1pyt s THR 929 N -2.92 5.18 -0.84 0.64 2.01 0.13 -1.28 115.64 118.55 1pyt s THR 929 Ca 0.32 0.77 -0.25 0.00 0.31 0.00 0.00 61.69 62.84 1pyt s THR 929 Cb 0.05 -3.71 0.00 0.00 0.01 0.00 0.00 72.50 68.85 1pyt s THR 929 CO 0.14 0.44 1.64 -0.13 -0.69 0.00 0.00 174.62 176.03 1pyt s ARG 930 N -0.08 3.01 0.44 4.92 1.81 -0.69 -2.64 118.95 125.73 1pyt s ARG 930 Ca 0.22 -0.34 0.21 0.00 -1.72 0.00 0.00 55.73 54.10 1pyt s ARG 930 Cb -0.15 -4.82 1.19 0.00 -0.45 0.00 0.00 34.95 30.71 1pyt s ARG 930 CO 0.09 -2.64 1.84 0.28 -0.68 0.00 0.00 175.30 174.19 1pyt h VAL 931 N 6.79 0.60 -0.23 3.52 2.07 -1.78 0.12 116.25 127.34 1pyt h VAL 931 Ca -0.03 -0.10 -0.10 0.00 0.82 0.00 0.00 66.70 67.29 1pyt h VAL 931 Cb 1.05 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 31.08 1pyt h VAL 931 CO 1.29 0.06 -0.28 0.77 0.02 0.00 0.00 177.57 179.43 1pyt h SER 932 N 0.31 0.46 0.32 0.57 4.64 -1.86 -1.50 113.55 116.48 1pyt h SER 932 Ca 0.49 -0.16 0.00 0.00 -0.47 0.00 0.00 61.79 61.65 1pyt h SER 932 Cb 1.41 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 1pyt h SER 932 CO -0.16 0.73 0.00 0.00 -0.87 0.00 0.00 176.83 176.53 1pyt n ALA 933 N -2.49 1.95 -2.30 5.18 0.00 0.03 -3.17 120.51 119.71 1pyt n ALA 933 Ca -0.01 -0.08 -0.08 0.00 0.00 0.00 0.00 53.44 53.27 1pyt n ALA 933 Cb 0.42 -1.28 0.06 0.00 0.00 0.00 0.00 19.45 18.65 1pyt n ALA 933 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1pyt n TYR 934 N -1.28 1.49 0.06 0.00 4.01 -0.57 -4.85 117.16 116.02 1pyt n TYR 934 Ca 0.08 -1.87 -0.13 0.00 -0.16 0.00 0.00 57.90 55.83 1pyt n TYR 934 Cb 0.14 -0.26 -0.03 0.00 -0.31 0.00 0.00 39.34 38.87 1pyt n TYR 934 CO 0.00 0.00 0.00 0.82 -0.46 0.00 0.00 176.86 177.22 1pyt h ILE 935 N 3.81 1.39 -0.07 -0.72 1.08 -1.52 -1.17 117.51 120.31 1pyt h ILE 935 Ca 0.06 -2.33 -0.02 0.00 -0.39 0.00 0.00 64.86 62.18 1pyt h ILE 935 Cb 1.42 2.31 -0.00 0.00 -3.07 0.00 0.00 36.82 37.47 1pyt h ILE 935 CO 0.37 0.70 -0.02 0.44 -0.69 0.00 0.00 178.15 178.94 1pyt h ASP 936 N 0.26 0.14 0.01 1.72 3.32 -1.88 0.34 116.42 120.34 1pyt h ASP 936 Ca -0.06 -0.38 0.02 0.00 0.02 0.00 0.00 57.03 56.62 1pyt h ASP 936 Cb 1.49 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 40.98 1pyt h ASP 936 CO 0.15 0.50 -0.13 -0.25 -1.72 0.00 0.00 179.24 177.79 1pyt h TRP 937 N -0.21 -0.32 -0.74 4.55 7.01 -1.93 0.73 115.95 125.05 1pyt h TRP 937 Ca 0.02 0.01 0.10 0.00 2.11 0.00 0.00 58.89 61.13 1pyt h TRP 937 Cb 0.44 0.14 -0.07 0.00 -2.10 0.00 0.00 29.16 27.56 1pyt h TRP 937 CO 0.06 -0.19 0.37 0.82 -2.79 0.00 0.00 178.44 176.71 1pyt h ILE 938 N -0.22 0.84 0.00 2.65 2.04 -1.18 0.52 117.51 122.15 1pyt h ILE 938 Ca 0.04 -0.21 -0.07 0.00 1.00 0.00 0.00 64.86 65.61 1pyt h ILE 938 Cb 0.27 0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 36.50 1pyt h ILE 938 CO -0.12 0.11 -0.35 0.78 0.00 0.00 0.00 178.15 178.58 1pyt h ASN 939 N 0.62 0.00 -0.02 1.72 2.35 0.01 0.40 115.58 120.66 1pyt h ASN 939 Ca 0.37 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 56.05 1pyt h ASN 939 Cb 0.40 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.77 1pyt h ASN 939 CO -0.28 0.35 -0.23 -0.61 -1.65 0.00 0.00 177.43 175.01 1pyt h GLN 940 N 0.00 0.19 0.00 0.81 4.15 0.24 -3.31 115.11 117.19 1pyt h GLN 940 Ca -0.00 -0.18 -0.07 0.00 0.77 0.00 0.00 58.65 59.17 1pyt h GLN 940 Cb 0.96 0.05 -0.01 0.00 0.21 0.00 0.00 27.48 28.69 1pyt h GLN 940 CO 0.05 0.88 -0.32 0.87 -1.93 0.00 0.00 178.83 178.37 1pyt h LYS 941 N -0.43 0.00 0.00 1.69 1.79 -0.93 -3.11 116.57 115.58 1pyt h LYS 941 Ca -0.02 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.45 1pyt h LYS 941 Cb 0.95 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.60 1pyt h LYS 941 CO 0.05 0.32 -0.00 -0.07 -1.08 0.00 0.00 179.45 178.67 1pyt h LEU 942 N 0.00 0.00 -2.81 2.94 3.38 -1.00 -2.41 115.31 115.41 1pyt h LEU 942 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1pyt h LEU 942 Cb 1.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.77 1pyt h LEU 942 CO 0.04 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.57 1pyt n GLN 943 N -3.51 2.83 0.00 1.13 6.02 -1.17 -5.09 117.38 117.58 1pyt n GLN 943 Ca -0.03 -2.56 0.15 0.00 -0.01 0.00 0.00 57.00 54.55 1pyt n GLN 943 Cb 0.08 -1.53 0.80 0.00 1.02 0.00 0.00 30.24 30.61 1pyt n GLN 943 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33