#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sr2 n GLN 776 N 0.00 0.00 0.09 2.12 7.27 -1.26 -4.54 117.38 121.06 1sr2 n GLN 776 Ca 0.00 0.00 -0.16 0.00 0.07 0.00 0.00 57.00 56.91 1sr2 n GLN 776 Cb 0.00 -0.45 -0.10 0.00 2.41 0.00 0.00 30.24 32.10 1sr2 n GLN 776 CO 0.00 0.00 0.00 1.05 0.07 0.00 0.00 177.06 178.18 1sr2 h GLU 777 N 0.00 0.39 -1.86 3.69 9.09 -2.09 -3.39 114.58 120.42 1sr2 h GLU 777 Ca 0.00 -0.53 -0.53 0.00 0.05 0.00 0.00 59.36 58.35 1sr2 h GLU 777 Cb 0.00 0.18 -0.36 0.00 -1.65 0.00 0.00 28.75 26.92 1sr2 h GLU 777 CO 0.00 1.21 -1.02 0.00 0.05 0.00 0.00 179.01 179.25 1sr2 n ALA 778 N -2.57 2.07 -2.84 1.06 0.00 -1.26 -5.11 120.51 111.86 1sr2 n ALA 778 Ca -0.09 -3.12 -0.34 0.00 0.00 0.00 0.00 53.44 49.88 1sr2 n ALA 778 Cb 0.94 -0.86 -0.10 0.00 0.00 0.00 0.00 19.45 19.43 1sr2 n ALA 778 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1sr2 s VAL 779 N -0.77 4.63 -0.31 0.00 0.11 -1.26 -4.82 120.40 117.98 1sr2 s VAL 779 Ca 0.34 -0.09 -0.06 0.00 -2.93 0.00 0.00 61.98 59.24 1sr2 s VAL 779 Cb 0.15 -3.07 0.03 0.00 -1.53 0.00 0.00 36.38 31.96 1sr2 s VAL 779 CO -0.14 0.47 0.07 -1.48 -3.33 0.00 0.00 175.10 170.70 1sr2 s LEU 780 N 0.32 4.04 0.00 2.54 2.34 -1.26 -4.96 118.68 121.69 1sr2 s LEU 780 Ca 0.02 -0.99 0.21 0.00 0.06 0.00 0.00 54.13 53.42 1sr2 s LEU 780 Cb -0.13 -1.84 1.17 0.00 -0.56 0.00 0.00 46.19 44.83 1sr2 s LEU 780 CO 0.01 -0.26 1.62 0.00 -1.06 0.00 0.00 176.35 176.66 1sr2 n GLN 781 N 4.80 0.54 -0.28 1.48 1.13 -1.26 -2.20 117.38 121.58 1sr2 n GLN 781 Ca -0.13 0.03 0.04 0.00 -1.94 0.00 0.00 57.00 54.99 1sr2 n GLN 781 Cb 0.46 -1.50 0.18 0.00 0.11 0.00 0.00 30.24 29.48 1sr2 n GLN 781 CO 0.00 0.00 0.00 1.37 -1.44 0.00 0.00 177.06 176.99 1sr2 h LEU 782 N 0.00 0.58 -5.71 1.08 8.10 -2.02 -1.66 115.31 115.68 1sr2 h LEU 782 Ca 0.00 0.06 -0.68 0.00 0.11 0.00 0.00 57.88 57.38 1sr2 h LEU 782 Cb 0.06 -0.04 -0.36 0.00 -0.44 0.00 0.00 40.66 39.88 1sr2 h LEU 782 CO 0.00 0.31 0.01 2.30 -4.11 0.00 0.00 178.44 176.94 1sr2 n ILE 783 N -4.81 4.23 0.20 0.15 -5.35 -0.93 -4.85 119.36 107.99 1sr2 n ILE 783 Ca 0.14 -5.73 0.18 0.00 -0.27 0.00 0.00 62.75 57.07 1sr2 n ILE 783 Cb 0.32 -1.49 0.78 0.00 -1.74 0.00 0.00 39.64 37.51 1sr2 n ILE 783 CO 0.00 0.00 0.00 1.05 -1.76 0.00 0.00 176.55 175.84 1sr2 h GLU 784 N 3.52 0.00 0.00 6.28 4.11 -1.41 0.26 114.58 127.35 1sr2 h GLU 784 Ca 0.28 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.71 1sr2 h GLU 784 Cb 0.44 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.69 1sr2 h GLU 784 CO 0.96 0.00 -0.22 1.33 0.07 0.00 0.00 179.01 181.16 1sr2 n VAL 785 N -3.39 1.12 0.00 -1.06 0.24 -1.26 -5.02 118.33 108.96 1sr2 n VAL 785 Ca 0.03 -1.36 0.00 0.00 -2.04 0.00 0.00 64.34 60.98 1sr2 n VAL 785 Cb 0.51 0.07 0.00 0.00 -1.47 0.00 0.00 33.84 32.95 1sr2 n VAL 785 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1sr2 n GLN 786 N -0.84 0.00 -0.04 7.34 1.13 0.90 -1.28 117.38 124.59 1sr2 n GLN 786 Ca 0.10 0.00 -0.03 0.00 -1.94 0.00 0.00 57.00 55.13 1sr2 n GLN 786 Cb 0.67 0.00 -0.14 0.00 0.11 0.00 0.00 30.24 30.88 1sr2 n GLN 786 CO 0.00 0.00 0.00 1.47 -1.44 0.00 0.00 177.06 177.09 1sr2 n LEU 787 N 0.00 0.29 -3.61 1.08 -0.00 -1.26 -4.84 117.00 108.67 1sr2 n LEU 787 Ca 0.00 0.13 -0.04 0.00 -0.00 0.00 0.00 56.01 56.10 1sr2 n LEU 787 Cb 0.00 0.26 -0.02 0.00 -0.00 0.00 0.00 43.42 43.65 1sr2 n LEU 787 CO 0.00 0.29 1.04 0.00 -0.00 0.00 0.00 177.39 178.72 1sr2 s ALA 788 N -2.83 -2.09 -0.15 1.47 0.00 -0.41 -5.13 121.76 112.63 1sr2 s ALA 788 Ca -0.07 1.67 -0.29 0.00 0.00 0.00 0.00 51.96 53.27 1sr2 s ALA 788 Cb 0.09 -0.34 -0.01 0.00 0.00 0.00 0.00 23.12 22.86 1sr2 s ALA 788 CO 0.84 -0.54 1.07 1.14 0.00 0.00 0.00 175.76 178.28 1sr2 s GLN 789 N -2.15 4.34 0.00 0.00 -2.07 -1.26 -4.95 119.66 113.57 1sr2 s GLN 789 Ca 0.09 1.45 0.00 0.00 -1.82 0.00 0.00 55.36 55.08 1sr2 s GLN 789 Cb -0.01 -3.60 0.00 0.00 -1.09 0.00 0.00 33.01 28.31 1sr2 s GLN 789 CO -0.04 -0.48 0.00 0.39 -1.32 0.00 0.00 175.29 173.84 1sr2 n GLU 790 N 5.64 0.55 -3.62 9.60 -0.58 -1.26 -5.14 120.64 125.82 1sr2 n GLU 790 Ca 0.11 0.00 -0.36 0.00 -0.42 0.00 0.00 57.16 56.48 1sr2 n GLU 790 Cb 0.47 0.00 -0.08 0.00 -0.57 0.00 0.00 31.44 31.26 1sr2 n GLU 790 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 1sr2 s GLU 791 N 0.41 4.16 0.07 3.49 8.01 -1.26 -5.05 118.70 128.53 1sr2 s GLU 791 Ca 0.00 -0.12 -0.31 0.00 0.01 0.00 0.00 54.97 54.55 1sr2 s GLU 791 Cb 0.00 -3.48 -0.08 0.00 -4.31 0.00 0.00 34.13 26.26 1sr2 s GLU 791 CO 0.00 0.16 1.59 0.54 0.01 0.00 0.00 175.26 177.56 1sr2 s VAL 792 N 0.75 3.11 -0.46 2.63 0.11 -1.26 -4.90 120.40 120.38 1sr2 s VAL 792 Ca 0.11 0.60 -0.01 0.00 -2.93 0.00 0.00 61.98 59.75 1sr2 s VAL 792 Cb -0.13 -3.38 0.34 0.00 -1.53 0.00 0.00 36.38 31.67 1sr2 s VAL 792 CO 0.03 0.01 1.99 0.35 -3.33 0.00 0.00 175.10 174.15 1sr2 n THR 793 N 4.59 3.12 -3.80 5.04 -2.24 -1.26 -4.85 114.28 114.87 1sr2 n THR 793 Ca 0.15 -2.15 -0.04 0.00 -2.27 0.00 0.00 64.05 59.73 1sr2 n THR 793 Cb 0.41 -1.20 -0.00 0.00 -2.10 0.00 0.00 70.33 67.44 1sr2 n THR 793 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1sr2 s GLU 794 N -2.70 1.42 -0.44 -0.78 0.41 -1.26 -5.13 118.70 110.22 1sr2 s GLU 794 Ca 0.46 -0.84 0.07 0.00 -0.41 0.00 0.00 54.97 54.25 1sr2 s GLU 794 Cb 0.36 0.45 0.18 0.00 -1.78 0.00 0.00 34.13 33.34 1sr2 s GLU 794 CO 0.00 -0.66 0.61 -1.12 -0.49 0.00 0.00 175.26 173.60 1sr2 s SER 795 N -3.06 -0.91 -0.79 -0.19 0.01 -1.26 -5.11 113.70 102.39 1sr2 s SER 795 Ca 0.15 -1.36 -0.26 0.00 1.31 0.00 0.00 55.95 55.78 1sr2 s SER 795 Cb -0.03 1.58 0.02 0.00 0.21 0.00 0.00 66.02 67.80 1sr2 s SER 795 CO 0.05 -0.14 1.51 -2.16 0.41 0.00 0.00 173.24 172.90 1sr2 s PRO 796 N 1.35 3.09 -0.07 12.44 0.04 -1.26 -4.83 135.00 145.76 1sr2 s PRO 796 Ca 0.22 -0.25 -0.21 0.00 0.04 0.00 0.00 61.00 60.80 1sr2 s PRO 796 Cb -0.04 -4.56 -0.16 0.00 0.04 0.00 0.00 34.50 29.77 1sr2 s PRO 796 CO -0.06 -2.41 0.77 -0.07 0.04 0.00 0.00 177.00 175.27 1sr2 h LEU 797 N 14.19 -0.11 0.00 -3.56 -0.00 -1.99 -3.49 115.31 120.34 1sr2 h LEU 797 Ca -0.14 -0.46 0.00 0.00 -0.00 0.00 0.00 57.88 57.29 1sr2 h LEU 797 Cb 1.06 0.03 0.00 0.00 -0.00 0.00 0.00 40.66 41.75 1sr2 h LEU 797 CO 1.29 0.52 0.00 0.61 -0.00 0.00 0.00 178.44 180.87 1sr2 n GLY 798 N 0.92 0.93 0.00 0.83 0.00 -1.26 -4.80 105.19 101.81 1sr2 n GLY 798 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1sr2 n GLY 798 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sr2 n GLY 799 N 0.00 1.95 1.05 -0.02 0.00 -1.26 -5.01 105.19 101.90 1sr2 n GLY 799 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 1sr2 n GLY 799 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1sr2 n ASP 800 N 0.00 1.01 0.04 1.61 2.03 -1.26 -4.93 116.55 115.04 1sr2 n ASP 800 Ca 0.00 -2.40 -0.11 0.00 0.52 0.00 0.00 54.79 52.80 1sr2 n ASP 800 Cb 0.00 -0.33 -0.04 0.00 -0.72 0.00 0.00 41.12 40.03 1sr2 n ASP 800 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 1sr2 h GLU 801 N 0.74 -0.32 -0.09 -0.67 3.07 -1.95 0.15 114.58 115.51 1sr2 h GLU 801 Ca -0.13 0.02 -0.10 0.00 -0.50 0.00 0.00 59.36 58.65 1sr2 h GLU 801 Cb 1.59 0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 29.56 1sr2 h GLU 801 CO 0.06 -0.21 -0.41 -0.97 -1.40 0.00 0.00 179.01 176.08 1sr2 h ASN 802 N -0.33 0.21 0.06 1.42 -0.73 -1.95 -1.31 115.58 112.96 1sr2 h ASN 802 Ca 0.07 -0.09 -0.00 0.00 1.87 0.00 0.00 56.30 58.15 1sr2 h ASN 802 Cb 0.43 -0.06 0.00 0.00 0.27 0.00 0.00 38.32 38.96 1sr2 h ASN 802 CO -0.23 0.60 -0.03 0.00 -0.37 0.00 0.00 177.43 177.41 1sr2 h ALA 803 N 1.41 -0.08 -0.42 1.57 0.00 -1.74 -1.38 119.26 118.61 1sr2 h ALA 803 Ca 0.02 -0.27 -0.11 0.00 0.00 0.00 0.00 54.91 54.55 1sr2 h ALA 803 Cb 0.80 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 1sr2 h ALA 803 CO 0.06 -0.26 -0.17 -0.56 0.00 0.00 0.00 179.25 178.32 1sr2 h GLN 804 N -0.66 0.81 -0.70 0.00 3.07 -0.73 0.18 115.11 117.09 1sr2 h GLN 804 Ca -0.01 -0.30 -0.04 0.00 0.09 0.00 0.00 58.65 58.39 1sr2 h GLN 804 Cb 0.56 -0.05 -0.03 0.00 0.08 0.00 0.00 27.48 28.04 1sr2 h GLN 804 CO 0.01 0.92 0.27 1.25 0.09 0.00 0.00 178.83 181.37 1sr2 h LEU 805 N 0.71 0.96 0.21 0.06 5.85 -1.28 0.83 115.31 122.65 1sr2 h LEU 805 Ca 0.11 -0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.68 1sr2 h LEU 805 Cb 0.68 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.46 1sr2 h LEU 805 CO 0.05 0.86 -0.10 -0.74 -0.34 0.00 0.00 178.44 178.17 1sr2 h HIS 806 N 1.02 -0.26 -0.57 1.25 2.76 -0.82 0.47 115.15 119.00 1sr2 h HIS 806 Ca 0.23 -0.01 -0.06 0.00 -2.20 0.00 0.00 60.37 58.34 1sr2 h HIS 806 Cb 0.21 0.09 -0.02 0.00 1.55 0.00 0.00 27.41 29.23 1sr2 h HIS 806 CO 0.02 0.11 0.14 0.00 -1.30 0.00 0.00 177.93 176.90 1sr2 h ALA 807 N -0.05 0.75 0.00 5.26 0.00 -0.46 -2.01 119.26 122.75 1sr2 h ALA 807 Ca -0.03 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1sr2 h ALA 807 Cb 0.49 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1sr2 h ALA 807 CO 0.05 0.46 0.00 0.43 0.00 0.00 0.00 179.25 180.18 1sr2 n SER 808 N -4.38 0.00 0.00 0.00 7.64 0.27 -4.85 113.62 112.30 1sr2 n SER 808 Ca 0.03 -1.07 0.00 0.00 1.01 0.00 0.00 58.87 58.84 1sr2 n SER 808 Cb 0.24 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.44 1sr2 n SER 808 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1sr2 n GLY 809 N 0.48 2.29 0.00 0.23 0.00 -0.76 -4.82 105.19 102.62 1sr2 n GLY 809 Ca 0.12 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.27 1sr2 n GLY 809 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1sr2 n TYR 810 N -2.00 0.00 0.28 1.61 4.02 -1.05 -2.28 117.16 117.74 1sr2 n TYR 810 Ca 0.00 0.00 0.12 0.00 -0.01 0.00 0.00 57.90 58.01 1sr2 n TYR 810 Cb 0.00 0.00 0.80 0.00 -0.02 0.00 0.00 39.34 40.12 1sr2 n TYR 810 CO 0.00 0.00 0.00 -0.92 -1.01 0.00 0.00 176.86 174.93 1sr2 h TYR 811 N 0.00 0.00 -0.65 -0.72 5.03 -1.15 -1.25 116.97 118.24 1sr2 h TYR 811 Ca 0.00 0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.30 1sr2 h TYR 811 Cb 0.00 0.00 -0.03 0.00 1.55 0.00 0.00 36.73 38.25 1sr2 h TYR 811 CO 0.00 0.00 0.36 0.00 -1.32 0.00 0.00 178.16 177.20 1sr2 h ALA 812 N 2.00 1.42 -0.13 1.82 0.00 -1.75 -1.91 119.26 120.71 1sr2 h ALA 812 Ca 0.00 -0.09 -0.13 0.00 0.00 0.00 0.00 54.91 54.68 1sr2 h ALA 812 Cb 0.01 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1sr2 h ALA 812 CO -0.00 0.48 -0.50 1.25 0.00 0.00 0.00 179.25 180.48 1sr2 h LEU 813 N 0.90 0.38 -0.65 0.00 5.85 -1.46 -1.74 115.31 118.59 1sr2 h LEU 813 Ca 0.23 -0.19 0.03 0.00 0.84 0.00 0.00 57.88 58.79 1sr2 h LEU 813 Cb 0.01 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 40.89 1sr2 h LEU 813 CO -0.04 0.82 0.40 0.15 -0.34 0.00 0.00 178.44 179.43 1sr2 h PHE 814 N 0.28 0.75 -0.64 1.25 3.57 -1.16 -1.50 116.94 119.49 1sr2 h PHE 814 Ca 0.01 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1sr2 h PHE 814 Cb 0.98 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 39.48 1sr2 h PHE 814 CO 0.03 0.42 0.00 1.33 -2.23 0.00 0.00 178.31 177.86 1sr2 n VAL 815 N -4.71 1.32 -0.06 1.41 0.24 -1.05 -3.71 118.33 111.77 1sr2 n VAL 815 Ca 0.06 -1.00 -0.04 0.00 -2.04 0.00 0.00 64.34 61.33 1sr2 n VAL 815 Cb 0.09 0.25 -0.01 0.00 -1.47 0.00 0.00 33.84 32.70 1sr2 n VAL 815 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1sr2 n ASP 816 N 1.24 1.51 -0.04 -1.34 2.03 -0.58 -4.82 116.55 114.55 1sr2 n ASP 816 Ca 0.23 0.56 -0.04 0.00 0.52 0.00 0.00 54.79 56.07 1sr2 n ASP 816 Cb 0.71 -0.81 -0.06 0.00 -0.72 0.00 0.00 41.12 40.24 1sr2 n ASP 816 CO 0.00 0.00 0.00 1.07 -1.92 0.00 0.00 177.20 176.35 1sr2 n THR 817 N -4.22 0.52 0.17 5.18 5.66 -1.14 -4.60 114.28 115.85 1sr2 n THR 817 Ca -0.06 -0.31 -0.16 0.00 -3.05 0.00 0.00 64.05 60.47 1sr2 n THR 817 Cb 0.23 -0.80 -0.09 0.00 -1.55 0.00 0.00 70.33 68.12 1sr2 n THR 817 CO 0.00 0.00 0.00 0.58 -3.05 0.00 0.00 175.07 172.60 1sr2 h VAL 818 N 0.00 0.08 -0.44 1.08 2.07 -1.71 0.48 116.25 117.81 1sr2 h VAL 818 Ca -0.21 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.22 1sr2 h VAL 818 Cb 1.45 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 1sr2 h VAL 818 CO 0.01 0.00 -0.11 -0.65 0.02 0.00 0.00 177.57 176.84 1sr2 h PRO 819 N -0.79 0.85 -0.48 1.57 0.11 -1.88 -0.60 132.00 130.79 1sr2 h PRO 819 Ca -0.01 -0.33 -0.06 0.00 0.11 0.00 0.00 66.00 65.72 1sr2 h PRO 819 Cb 0.76 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 31.80 1sr2 h PRO 819 CO -0.19 0.96 0.08 0.22 -0.21 0.00 0.00 178.00 178.86 1sr2 h ASP 820 N 0.68 0.76 1.00 -2.05 3.58 -1.75 -0.74 116.42 117.90 1sr2 h ASP 820 Ca 0.11 -0.26 -0.14 0.00 0.42 0.00 0.00 57.03 57.16 1sr2 h ASP 820 Cb 0.64 -0.20 -0.02 0.00 1.72 0.00 0.00 39.33 41.47 1sr2 h ASP 820 CO 0.04 0.82 -0.68 0.44 -2.88 0.00 0.00 179.24 176.98 1sr2 h ASP 821 N 0.66 0.00 -0.52 2.28 3.32 -0.04 -1.07 116.42 121.06 1sr2 h ASP 821 Ca 0.15 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.12 1sr2 h ASP 821 Cb 0.38 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.91 1sr2 h ASP 821 CO 0.01 0.68 0.05 0.58 -1.72 0.00 0.00 179.24 178.84 1sr2 h VAL 822 N 0.00 1.25 -0.32 -1.35 2.07 -0.82 0.19 116.25 117.27 1sr2 h VAL 822 Ca -0.01 -1.01 -0.11 0.00 0.82 0.00 0.00 66.70 66.39 1sr2 h VAL 822 Cb 1.36 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 31.89 1sr2 h VAL 822 CO 0.09 0.37 -0.25 0.50 0.02 0.00 0.00 177.57 178.30 1sr2 h LYS 823 N 0.87 0.62 -0.38 1.57 3.64 -0.88 -1.63 116.57 120.37 1sr2 h LYS 823 Ca 0.17 -0.25 -0.00 0.00 -1.27 0.00 0.00 60.65 59.30 1sr2 h LYS 823 Cb 0.44 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.21 1sr2 h LYS 823 CO 0.02 0.82 0.22 0.00 -2.27 0.00 0.00 179.45 178.24 1sr2 h ARG 824 N 0.54 0.52 -0.65 1.90 3.08 -0.57 0.97 114.38 120.19 1sr2 h ARG 824 Ca 0.08 -0.05 0.09 0.00 0.07 0.00 0.00 59.98 60.17 1sr2 h ARG 824 Cb 0.72 -0.11 -0.07 0.00 0.08 0.00 0.00 29.97 30.59 1sr2 h ARG 824 CO 0.05 0.40 0.28 -0.07 -1.07 0.00 0.00 179.97 179.57 1sr2 h LEU 825 N 0.50 0.33 -0.82 3.04 3.38 -0.34 0.14 115.31 121.53 1sr2 h LEU 825 Ca 0.14 0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.15 1sr2 h LEU 825 Cb 0.02 0.03 -0.04 0.00 0.09 0.00 0.00 40.66 40.76 1sr2 h LEU 825 CO -0.02 0.19 0.40 1.88 0.09 0.00 0.00 178.44 180.97 1sr2 h TYR 826 N 0.49 1.18 -0.42 1.13 0.05 -0.74 0.31 116.97 118.96 1sr2 h TYR 826 Ca 0.33 -0.05 -0.12 0.00 0.05 0.00 0.00 58.73 58.93 1sr2 h TYR 826 Cb 0.38 -0.37 -0.01 0.00 1.01 0.00 0.00 36.73 37.74 1sr2 h TYR 826 CO -0.14 0.85 -0.21 1.15 -1.05 0.00 0.00 178.16 178.76 1sr2 h THR 827 N 1.16 1.28 0.00 -2.88 2.02 0.54 -1.74 112.91 113.29 1sr2 h THR 827 Ca 0.28 -1.35 -0.10 0.00 0.77 0.00 0.00 66.41 66.01 1sr2 h THR 827 Cb 0.11 1.25 -0.01 0.00 -1.74 0.00 0.00 68.15 67.76 1sr2 h THR 827 CO -0.04 0.46 -0.46 -0.33 0.37 0.00 0.00 175.52 175.52 1sr2 h GLU 828 N 0.70 0.00 -0.22 6.66 4.39 -0.67 -3.01 114.58 122.43 1sr2 h GLU 828 Ca 0.09 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.72 1sr2 h GLU 828 Cb 0.77 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.41 1sr2 h GLU 828 CO 0.06 0.46 -0.17 0.00 -1.16 0.00 0.00 179.01 178.20 1sr2 h ALA 829 N 1.54 1.30 -0.85 3.43 0.00 -0.08 0.43 119.26 125.04 1sr2 h ALA 829 Ca -0.00 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 1sr2 h ALA 829 Cb 1.34 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.98 1sr2 h ALA 829 CO 0.06 0.47 0.46 0.00 0.00 0.00 0.00 179.25 180.24 1sr2 h ALA 830 N 1.47 1.22 0.00 0.00 0.00 -1.19 -1.94 119.26 118.83 1sr2 h ALA 830 Ca 0.06 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1sr2 h ALA 830 Cb 0.51 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1sr2 h ALA 830 CO 0.03 0.63 -0.05 1.15 0.00 0.00 0.00 179.25 181.01 1sr2 h THR 831 N 1.18 0.00 -2.18 0.00 2.02 -1.35 -3.47 112.91 109.12 1sr2 h THR 831 Ca 0.30 -0.85 -0.25 0.00 0.77 0.00 0.00 66.41 66.38 1sr2 h THR 831 Cb 0.03 1.82 0.00 0.00 -1.74 0.00 0.00 68.15 68.26 1sr2 h THR 831 CO -0.05 0.00 -0.34 -1.20 0.37 0.00 0.00 175.52 174.30 1sr2 n SER 832 N -2.84 -4.11 -4.14 4.18 7.64 0.13 -4.93 113.62 109.56 1sr2 n SER 832 Ca 0.04 -0.07 -0.43 0.00 1.01 0.00 0.00 58.87 59.43 1sr2 n SER 832 Cb 0.50 -3.20 0.00 0.00 -1.01 0.00 0.00 64.21 60.50 1sr2 n SER 832 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1sr2 n ASP 833 N -0.57 4.68 0.15 6.43 -0.08 -0.16 -4.76 116.55 122.24 1sr2 n ASP 833 Ca -0.12 -2.95 0.12 0.00 -1.51 0.00 0.00 54.79 50.33 1sr2 n ASP 833 Cb 0.60 -1.63 0.52 0.00 2.34 0.00 0.00 41.12 42.95 1sr2 n ASP 833 CO 0.00 0.00 0.00 -0.26 0.12 0.00 0.00 177.20 177.06 1sr2 h PHE 834 N 6.60 0.00 -0.26 -0.67 0.04 -1.92 0.14 116.94 120.87 1sr2 h PHE 834 Ca 0.45 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 61.12 1sr2 h PHE 834 Cb 0.75 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.89 1sr2 h PHE 834 CO 1.34 0.00 -0.24 0.00 -0.60 0.00 0.00 178.31 178.81 1sr2 h ALA 835 N 2.22 0.39 -0.16 2.45 0.00 -1.98 -0.31 119.26 121.87 1sr2 h ALA 835 Ca 0.00 -0.38 -0.17 0.00 0.00 0.00 0.00 54.91 54.36 1sr2 h ALA 835 Cb 0.35 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 1sr2 h ALA 835 CO 0.00 0.36 -0.61 0.00 0.00 0.00 0.00 179.25 179.00 1sr2 h ALA 836 N 0.69 0.62 -0.46 0.00 0.00 -1.64 -2.23 119.26 116.25 1sr2 h ALA 836 Ca 0.04 -0.54 0.04 0.00 0.00 0.00 0.00 54.91 54.45 1sr2 h ALA 836 Cb 0.80 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.48 1sr2 h ALA 836 CO 0.06 0.70 0.23 -0.07 0.00 0.00 0.00 179.25 180.18 1sr2 h LEU 837 N 0.42 0.34 -0.67 0.00 4.07 -0.74 0.15 115.31 118.87 1sr2 h LEU 837 Ca -0.01 0.02 0.01 0.00 0.08 0.00 0.00 57.88 57.98 1sr2 h LEU 837 Cb 1.18 -0.04 -0.03 0.00 1.08 0.00 0.00 40.66 42.84 1sr2 h LEU 837 CO 0.12 0.24 0.44 0.00 -1.08 0.00 0.00 178.44 178.16 1sr2 h ALA 838 N 1.24 0.85 -0.39 1.53 0.00 -0.87 0.22 119.26 121.85 1sr2 h ALA 838 Ca 0.20 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1sr2 h ALA 838 Cb 0.10 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1sr2 h ALA 838 CO -0.14 0.29 0.16 1.96 0.00 0.00 0.00 179.25 181.52 1sr2 h GLN 839 N 0.91 0.57 -0.52 0.00 1.08 -0.83 0.76 115.11 117.09 1sr2 h GLN 839 Ca 0.25 -0.10 -0.06 0.00 -1.45 0.00 0.00 58.65 57.29 1sr2 h GLN 839 Cb -0.10 -0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 27.21 1sr2 h GLN 839 CO -0.05 0.54 0.10 1.15 -0.95 0.00 0.00 178.83 179.62 1sr2 h THR 840 N 0.48 1.25 -0.12 -0.54 2.02 -0.36 -1.85 112.91 113.79 1sr2 h THR 840 Ca 0.13 -0.91 -0.06 0.00 0.77 0.00 0.00 66.41 66.34 1sr2 h THR 840 Cb 0.17 0.83 -0.01 0.00 -1.74 0.00 0.00 68.15 67.40 1sr2 h THR 840 CO -0.01 0.33 -0.19 0.00 0.37 0.00 0.00 175.52 176.01 1sr2 h ALA 841 N 0.99 1.46 -0.33 6.16 0.00 -0.43 -0.43 119.26 126.68 1sr2 h ALA 841 Ca 0.16 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1sr2 h ALA 841 Cb 0.37 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1sr2 h ALA 841 CO 0.01 0.39 0.18 1.25 0.00 0.00 0.00 179.25 181.07 1sr2 h HIS 842 N 0.19 0.46 -0.62 0.00 6.17 -0.34 0.26 115.15 121.27 1sr2 h HIS 842 Ca 0.03 -0.01 -0.04 0.00 0.71 0.00 0.00 60.37 61.06 1sr2 h HIS 842 Cb 0.46 -0.15 -0.03 0.00 2.52 0.00 0.00 27.41 30.21 1sr2 h HIS 842 CO 0.01 0.38 0.23 -0.09 0.71 0.00 0.00 177.93 179.17 1sr2 h ARG 843 N 0.41 0.94 -0.45 5.26 2.43 -0.77 -1.37 114.38 120.82 1sr2 h ARG 843 Ca 0.12 -0.18 -0.03 0.00 -0.81 0.00 0.00 59.98 59.08 1sr2 h ARG 843 Cb 0.08 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.46 1sr2 h ARG 843 CO -0.02 0.80 0.16 -0.07 -1.51 0.00 0.00 179.97 179.33 1sr2 h LEU 844 N 0.87 0.64 -1.09 3.80 4.07 -0.79 -0.25 115.31 122.56 1sr2 h LEU 844 Ca 0.21 -0.19 0.04 0.00 0.08 0.00 0.00 57.88 58.01 1sr2 h LEU 844 Cb 0.23 -0.17 -0.05 0.00 1.08 0.00 0.00 40.66 41.74 1sr2 h LEU 844 CO -0.01 0.66 0.62 0.50 -1.08 0.00 0.00 178.44 179.12 1sr2 h LYS 845 N 0.59 1.14 -0.20 1.13 3.64 -0.33 -0.43 116.57 122.11 1sr2 h LYS 845 Ca 0.15 -0.07 -0.03 0.00 -1.27 0.00 0.00 60.65 59.43 1sr2 h LYS 845 Cb 0.24 -0.26 -0.01 0.00 -0.41 0.00 0.00 32.23 31.79 1sr2 h LYS 845 CO -0.01 0.76 0.03 0.78 -2.27 0.00 0.00 179.45 178.74 1sr2 h GLY 846 N 1.18 0.37 1.37 5.01 0.00 -0.51 -0.44 103.07 110.04 1sr2 h GLY 846 Ca 0.38 -0.25 -0.16 0.00 0.00 0.00 0.00 47.33 47.30 1sr2 h GLY 846 CO -0.12 0.23 -0.51 -0.39 0.00 0.00 0.00 176.54 175.75 1sr2 h VAL 847 N 0.13 1.30 -0.46 4.60 -1.51 -0.79 0.31 116.25 119.83 1sr2 h VAL 847 Ca 0.06 -1.72 -0.13 0.00 -1.23 0.00 0.00 66.70 63.68 1sr2 h VAL 847 Cb 0.33 1.66 -0.01 0.00 -2.13 0.00 0.00 31.29 31.14 1sr2 h VAL 847 CO 0.00 0.55 -0.22 -0.26 -1.23 0.00 0.00 177.57 176.41 1sr2 h PHE 848 N 0.53 1.11 -0.14 5.19 0.04 -1.08 -1.96 116.94 120.63 1sr2 h PHE 848 Ca 0.02 -0.27 -0.08 0.00 2.80 0.00 0.00 57.97 60.43 1sr2 h PHE 848 Cb 1.07 -0.26 -0.01 0.00 2.20 0.00 0.00 35.95 38.95 1sr2 h PHE 848 CO 0.05 1.09 -0.29 0.00 -0.60 0.00 0.00 178.31 178.56 1sr2 h ALA 849 N 0.85 1.25 -0.10 2.45 0.00 -0.94 0.30 119.26 123.07 1sr2 h ALA 849 Ca 0.10 -0.33 0.03 0.00 0.00 0.00 0.00 54.91 54.71 1sr2 h ALA 849 Cb 0.80 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 1sr2 h ALA 849 CO 0.07 0.50 -0.09 1.98 0.00 0.00 0.00 179.25 181.71 1sr2 h MET 850 N 0.23 -0.11 -0.00 0.00 1.85 0.14 -1.50 114.93 115.54 1sr2 h MET 850 Ca 0.03 0.01 0.00 0.00 -0.61 0.00 0.00 59.70 59.13 1sr2 h MET 850 Cb 0.64 0.02 0.00 0.00 0.43 0.00 0.00 31.60 32.69 1sr2 h MET 850 CO 0.05 -0.07 -0.21 1.28 -0.40 0.00 0.00 176.91 177.55 1sr2 n LEU 851 N -5.23 0.39 -2.78 3.39 4.77 -0.78 -4.93 117.00 111.83 1sr2 n LEU 851 Ca -0.04 0.12 -0.19 0.00 -0.03 0.00 0.00 56.01 55.87 1sr2 n LEU 851 Cb 0.15 -0.28 0.05 0.00 -2.33 0.00 0.00 43.42 41.00 1sr2 n LEU 851 CO 0.25 0.08 0.08 -3.20 -1.33 0.00 0.00 177.39 173.28 1sr2 n ASN 852 N -1.25 -5.53 -4.57 -1.43 2.85 0.80 -4.90 115.26 101.22 1sr2 n ASN 852 Ca 0.10 -0.33 -0.38 0.00 -0.11 0.00 0.00 54.58 53.86 1sr2 n ASN 852 Cb 0.32 -4.28 -0.02 0.00 1.24 0.00 0.00 39.78 37.03 1sr2 n ASN 852 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 1sr2 s LEU 853 N -5.93 3.53 0.11 1.20 1.43 0.30 -4.88 118.68 114.44 1sr2 s LEU 853 Ca 0.35 -1.93 -0.27 0.00 -1.03 0.00 0.00 54.13 51.25 1sr2 s LEU 853 Cb -0.15 -2.58 -0.08 0.00 0.03 0.00 0.00 46.19 43.40 1sr2 s LEU 853 CO 0.43 -1.83 1.45 0.58 0.23 0.00 0.00 176.35 177.22 1sr2 h VAL 854 N 6.08 0.00 -0.99 -1.59 2.07 -1.89 0.57 116.25 120.50 1sr2 h VAL 854 Ca 0.32 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.92 1sr2 h VAL 854 Cb 0.92 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.62 1sr2 h VAL 854 CO 1.38 0.00 0.64 -0.65 0.02 0.00 0.00 177.57 178.95 1sr2 h PRO 855 N -0.25 1.06 -0.26 1.57 0.11 -1.98 0.48 132.00 132.73 1sr2 h PRO 855 Ca 0.08 -0.06 -0.19 0.00 0.11 0.00 0.00 66.00 65.93 1sr2 h PRO 855 Cb 0.45 -0.24 0.00 0.00 0.11 0.00 0.00 31.00 31.33 1sr2 h PRO 855 CO -0.57 0.70 -0.59 0.78 -0.21 0.00 0.00 178.00 178.11 1sr2 h GLY 856 N 1.09 0.95 1.74 -0.55 0.00 -1.63 -1.11 103.07 103.56 1sr2 h GLY 856 Ca 0.45 -1.15 -0.10 0.00 0.00 0.00 0.00 47.33 46.52 1sr2 h GLY 856 CO -0.20 1.03 -0.37 0.07 0.00 0.00 0.00 176.54 177.07 1sr2 h LYS 857 N 0.64 0.29 -0.41 4.80 2.10 0.88 -1.17 116.57 123.71 1sr2 h LYS 857 Ca 0.00 -0.13 -0.13 0.00 -2.00 0.00 0.00 60.65 58.39 1sr2 h LYS 857 Cb 1.21 -0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 32.52 1sr2 h LYS 857 CO 0.13 0.63 -0.27 1.96 -2.00 0.00 0.00 179.45 179.90 1sr2 h GLN 858 N 0.25 0.86 -0.70 0.07 1.08 0.02 0.78 115.11 117.47 1sr2 h GLN 858 Ca 0.03 -0.38 0.00 0.00 -1.45 0.00 0.00 58.65 56.85 1sr2 h GLN 858 Cb 0.77 -0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 28.14 1sr2 h GLN 858 CO 0.06 1.02 0.44 -0.07 -0.95 0.00 0.00 178.83 179.34 1sr2 h LEU 859 N 0.73 0.82 -0.60 1.46 3.38 -0.74 -0.57 115.31 119.80 1sr2 h LEU 859 Ca 0.09 -0.04 -0.12 0.00 0.09 0.00 0.00 57.88 57.90 1sr2 h LEU 859 Cb 0.82 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 1sr2 h LEU 859 CO 0.07 0.62 -0.14 0.00 0.09 0.00 0.00 178.44 179.08 1sr2 h GLU 861 N 0.85 -0.35 -0.06 0.00 4.39 -0.45 0.23 114.58 119.19 1sr2 h GLU 861 Ca 0.13 0.02 -0.07 0.00 0.34 0.00 0.00 59.36 59.78 1sr2 h GLU 861 Cb 0.69 0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.41 1sr2 h GLU 861 CO 0.05 -0.23 -0.30 1.15 -1.16 0.00 0.00 179.01 178.52 1sr2 h THR 862 N -0.36 1.24 0.19 1.13 2.02 -0.96 -1.58 112.91 114.60 1sr2 h THR 862 Ca 0.05 -1.15 -0.01 0.00 0.77 0.00 0.00 66.41 66.07 1sr2 h THR 862 Cb 0.42 1.54 0.00 0.00 -1.74 0.00 0.00 68.15 68.37 1sr2 h THR 862 CO -0.17 0.34 -0.09 0.25 0.37 0.00 0.00 175.52 176.21 1sr2 h LEU 863 N 0.10 -0.22 -1.38 2.58 6.46 0.21 0.45 115.31 123.51 1sr2 h LEU 863 Ca 0.01 -0.05 -0.00 0.00 -0.12 0.00 0.00 57.88 57.72 1sr2 h LEU 863 Cb 0.59 0.06 -0.03 0.00 -0.73 0.00 0.00 40.66 40.55 1sr2 h LEU 863 CO 0.04 -0.09 0.33 -0.33 -0.62 0.00 0.00 178.44 177.77 1sr2 h GLU 864 N -0.33 0.74 -0.32 1.25 5.08 -0.78 0.25 114.58 120.47 1sr2 h GLU 864 Ca -0.03 -0.06 -0.11 0.00 -1.00 0.00 0.00 59.36 58.17 1sr2 h GLU 864 Cb 0.26 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 1sr2 h GLU 864 CO 0.04 0.53 -0.24 1.25 -1.00 0.00 0.00 179.01 179.59 1sr2 h HIS 865 N 0.76 0.71 -0.01 4.33 2.76 -0.90 0.18 115.15 122.98 1sr2 h HIS 865 Ca 0.20 -0.16 -0.19 0.00 -2.20 0.00 0.00 60.37 58.02 1sr2 h HIS 865 Cb -0.02 -0.17 -0.01 0.00 1.55 0.00 0.00 27.41 28.76 1sr2 h HIS 865 CO 0.00 0.81 -0.83 -0.07 -1.30 0.00 0.00 177.93 176.54 1sr2 h LEU 866 N 0.55 0.31 -0.44 0.26 3.38 0.12 -1.04 115.31 118.45 1sr2 h LEU 866 Ca 0.08 -0.24 -0.17 0.00 0.09 0.00 0.00 57.88 57.64 1sr2 h LEU 866 Cb 0.71 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.36 1sr2 h LEU 866 CO 0.05 1.01 -0.54 0.40 0.09 0.00 0.00 178.44 179.46 1sr2 h ILE 867 N 0.15 1.30 -0.30 1.22 2.04 -0.38 0.18 117.51 121.72 1sr2 h ILE 867 Ca -0.04 -1.77 -0.10 0.00 1.00 0.00 0.00 64.86 63.95 1sr2 h ILE 867 Cb 1.44 1.71 -0.01 0.00 -0.74 0.00 0.00 36.82 39.22 1sr2 h ILE 867 CO 0.13 0.56 -0.25 0.08 0.00 0.00 0.00 178.15 178.67 1sr2 h ARG 868 N 0.52 0.58 -0.01 2.37 -0.00 -0.57 -2.13 114.38 115.15 1sr2 h ARG 868 Ca 0.01 -0.23 0.00 0.00 -0.00 0.00 0.00 59.98 59.76 1sr2 h ARG 868 Cb 1.11 -0.03 0.00 0.00 -0.00 0.00 0.00 29.97 31.05 1sr2 h ARG 868 CO 0.11 0.79 -0.10 0.39 -0.00 0.00 0.00 179.97 181.15 1sr2 n GLU 869 N -4.11 0.90 -3.56 0.08 -0.58 -0.40 -4.95 120.64 108.02 1sr2 n GLU 869 Ca -0.00 -0.36 -0.22 0.00 -0.42 0.00 0.00 57.16 56.15 1sr2 n GLU 869 Cb 0.42 -1.49 0.05 0.00 -0.57 0.00 0.00 31.44 29.85 1sr2 n GLU 869 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1sr2 n LYS 870 N -0.73 -3.41 -3.73 3.49 4.76 -0.13 -4.96 118.16 113.44 1sr2 n LYS 870 Ca 0.16 0.66 -0.36 0.00 -2.87 0.00 0.00 58.31 55.90 1sr2 n LYS 870 Cb 0.28 -5.12 -0.10 0.00 -1.84 0.00 0.00 35.03 28.25 1sr2 n LYS 870 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1sr2 s ASP 871 N -3.89 5.21 0.12 4.39 -1.08 0.43 -4.98 116.67 116.87 1sr2 s ASP 871 Ca 0.24 -2.99 -0.24 0.00 -0.52 0.00 0.00 52.55 49.04 1sr2 s ASP 871 Cb -0.06 -1.84 -0.05 0.00 -1.46 0.00 0.00 42.92 39.52 1sr2 s ASP 871 CO 0.80 -0.33 1.66 0.58 0.52 0.00 0.00 175.17 178.40 1sr2 h VAL 872 N 5.14 0.55 -0.78 1.11 2.07 -1.93 -0.38 116.25 122.03 1sr2 h VAL 872 Ca 0.00 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.66 1sr2 h VAL 872 Cb 0.93 0.55 -0.09 0.00 -1.52 0.00 0.00 31.29 31.16 1sr2 h VAL 872 CO 0.72 0.00 0.35 -0.65 0.02 0.00 0.00 177.57 178.01 1sr2 h PRO 873 N -0.28 0.50 -0.32 1.57 0.11 -1.98 0.32 132.00 131.93 1sr2 h PRO 873 Ca 0.07 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 66.10 1sr2 h PRO 873 Cb 0.37 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.36 1sr2 h PRO 873 CO -0.20 0.33 0.02 0.78 -0.21 0.00 0.00 178.00 178.72 1sr2 h GLY 874 N 0.52 0.59 0.75 -0.55 0.00 -1.85 -2.14 103.07 100.39 1sr2 h GLY 874 Ca 0.42 -0.43 0.03 0.00 0.00 0.00 0.00 47.33 47.35 1sr2 h GLY 874 CO -0.37 0.39 -0.03 -2.22 0.00 0.00 0.00 176.54 174.31 1sr2 h ILE 875 N 0.36 0.88 0.04 2.60 2.04 -0.01 -1.68 117.51 121.74 1sr2 h ILE 875 Ca 0.09 -0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.98 1sr2 h ILE 875 Cb 0.42 0.87 -0.04 0.00 -0.74 0.00 0.00 36.82 37.32 1sr2 h ILE 875 CO 0.01 0.00 -0.26 -0.33 0.00 0.00 0.00 178.15 177.58 1sr2 h GLU 876 N 0.01 -0.41 -0.89 2.37 5.08 -0.32 -0.08 114.58 120.35 1sr2 h GLU 876 Ca 0.06 0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.48 1sr2 h GLU 876 Cb 0.09 0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.38 1sr2 h GLU 876 CO -0.13 -0.27 0.57 -0.22 -1.00 0.00 0.00 179.01 177.96 1sr2 h LYS 877 N -0.42 1.09 -0.05 2.33 3.11 -1.27 -2.15 116.57 119.21 1sr2 h LYS 877 Ca 0.05 -0.07 -0.16 0.00 -2.81 0.00 0.00 60.65 57.66 1sr2 h LYS 877 Cb 0.49 -0.25 -0.01 0.00 -1.00 0.00 0.00 32.23 31.46 1sr2 h LYS 877 CO -0.20 0.72 -0.70 1.88 -2.81 0.00 0.00 179.45 178.34 1sr2 h TYR 878 N 1.12 0.31 -0.73 1.91 -1.99 -0.80 -0.19 116.97 116.60 1sr2 h TYR 878 Ca 0.35 -0.14 -0.06 0.00 2.00 0.00 0.00 58.73 60.88 1sr2 h TYR 878 Cb -0.01 -0.05 -0.03 0.00 2.00 0.00 0.00 36.73 38.64 1sr2 h TYR 878 CO -0.02 0.85 0.20 0.82 -0.00 0.00 0.00 178.16 180.02 1sr2 h ILE 879 N 0.16 1.26 0.00 -2.88 2.04 -0.63 -0.09 117.51 117.37 1sr2 h ILE 879 Ca -0.02 -0.95 -0.09 0.00 1.00 0.00 0.00 64.86 64.80 1sr2 h ILE 879 Cb 1.24 0.49 -0.01 0.00 -0.74 0.00 0.00 36.82 37.80 1sr2 h ILE 879 CO 0.11 0.37 -0.44 0.28 0.00 0.00 0.00 178.15 178.46 1sr2 h SER 880 N 1.09 0.00 0.02 1.72 0.02 -1.03 -0.66 113.55 114.71 1sr2 h SER 880 Ca 0.23 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 61.03 1sr2 h SER 880 Cb 0.34 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.87 1sr2 h SER 880 CO -0.00 0.44 -0.50 0.44 -1.14 0.00 0.00 176.83 176.07 1sr2 h ASP 881 N 0.00 0.60 0.17 3.07 3.32 -0.45 0.21 116.42 123.33 1sr2 h ASP 881 Ca -0.00 -0.30 -0.12 0.00 0.02 0.00 0.00 57.03 56.63 1sr2 h ASP 881 Cb 0.82 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 40.19 1sr2 h ASP 881 CO 0.06 0.99 -0.43 0.40 -1.72 0.00 0.00 179.24 178.54 1sr2 h ILE 882 N 0.43 1.32 -0.21 0.35 2.04 -0.71 0.11 117.51 120.83 1sr2 h ILE 882 Ca 0.02 -1.60 -0.16 0.00 1.00 0.00 0.00 64.86 64.13 1sr2 h ILE 882 Cb 1.03 1.69 0.00 0.00 -0.74 0.00 0.00 36.82 38.80 1sr2 h ILE 882 CO 0.09 0.48 -0.48 -0.78 0.00 0.00 0.00 178.15 177.47 1sr2 h ASP 883 N 0.28 0.78 0.52 1.72 3.58 -0.72 -1.42 116.42 121.15 1sr2 h ASP 883 Ca 0.02 -0.56 -0.11 0.00 0.42 0.00 0.00 57.03 56.80 1sr2 h ASP 883 Cb 0.88 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 41.69 1sr2 h ASP 883 CO 0.07 1.20 -0.51 0.77 -2.88 0.00 0.00 179.24 177.89 1sr2 h SER 884 N 0.40 0.00 0.71 2.28 4.64 -0.57 -1.48 113.55 119.52 1sr2 h SER 884 Ca -0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 1sr2 h SER 884 Cb 1.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 1sr2 h SER 884 CO 0.10 0.51 -0.37 0.22 -0.87 0.00 0.00 176.83 176.42 1sr2 h TYR 885 N 0.00 -0.98 -0.10 4.77 3.20 -0.44 -0.13 116.97 123.29 1sr2 h TYR 885 Ca -0.01 -0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.80 1sr2 h TYR 885 Cb 0.91 0.33 -0.01 0.00 1.54 0.00 0.00 36.73 39.50 1sr2 h TYR 885 CO 0.00 -0.59 -0.18 -0.24 -1.64 0.00 0.00 178.16 175.51 1sr2 h VAL 886 N -1.00 1.18 0.00 1.81 3.04 -1.24 -0.86 116.25 119.19 1sr2 h VAL 886 Ca -0.09 -0.83 -0.10 0.00 -1.01 0.00 0.00 66.70 64.67 1sr2 h VAL 886 Cb 0.78 1.31 -0.01 0.00 -2.01 0.00 0.00 31.29 31.36 1sr2 h VAL 886 CO 0.13 0.25 -0.47 0.07 -1.01 0.00 0.00 177.57 176.54 1sr2 h LYS 887 N 0.15 0.00 0.00 4.17 2.10 -1.03 -1.26 116.57 120.70 1sr2 h LYS 887 Ca 0.03 0.00 -0.12 0.00 -2.00 0.00 0.00 60.65 58.56 1sr2 h LYS 887 Cb 0.41 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.72 1sr2 h LYS 887 CO 0.03 0.47 -1.26 0.66 -2.00 0.00 0.00 179.45 177.35 1sr2 h SER 888 N 0.00 0.00 1.57 7.07 4.64 -0.30 -3.29 113.55 123.23 1sr2 h SER 888 Ca -0.00 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 1sr2 h SER 888 Cb 1.04 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.12 1sr2 h SER 888 CO 0.06 0.41 -0.44 -0.07 -0.87 0.00 0.00 176.83 175.92 1sr2 h LEU 889 N 0.00 0.00 0.00 5.97 4.07 -1.12 -3.51 115.31 120.72 1sr2 h LEU 889 Ca -0.11 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.85 1sr2 h LEU 889 Cb 1.41 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.15 1sr2 h LEU 889 CO 0.03 0.15 0.00 0.18 -1.08 0.00 0.00 178.44 177.72