#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 -2.25 0.00 2.12 0.00 -1.26 -1.30 117.38 114.69 1sr2 n GLN 776 Ca 0.00 0.28 0.00 0.00 0.00 0.00 0.00 57.00 57.28 1sr2 n GLN 776 Cb 0.00 -4.71 0.00 0.00 0.00 0.00 0.00 30.24 25.53 1sr2 n GLN 776 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.06 175.15 1sr2 n GLU 777 N -2.30 0.00 -3.45 2.61 0.00 -1.26 -5.07 120.64 111.17 1sr2 n GLU 777 Ca -0.06 0.00 0.02 0.00 0.00 0.00 0.00 57.16 57.12 1sr2 n GLU 777 Cb 0.45 0.00 -0.05 0.00 0.00 0.00 0.00 31.44 31.84 1sr2 n GLU 777 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1sr2 s ALA 778 N 0.00 -2.87 -0.30 4.31 0.00 -0.42 -5.12 121.76 117.37 1sr2 s ALA 778 Ca 0.00 1.94 -0.35 0.00 0.00 0.00 0.00 51.96 53.55 1sr2 s ALA 778 Cb 0.00 -2.08 -0.11 0.00 0.00 0.00 0.00 23.12 20.93 1sr2 s ALA 778 CO 0.00 -0.63 2.12 1.33 0.00 0.00 0.00 175.76 178.58 1sr2 n VAL 779 N 3.88 0.26 -4.03 0.00 0.24 -1.25 -4.89 118.33 112.55 1sr2 n VAL 779 Ca -0.13 -0.25 -0.27 0.00 -2.04 0.00 0.00 64.34 61.66 1sr2 n VAL 779 Cb 0.56 -1.74 -0.03 0.00 -1.47 0.00 0.00 33.84 31.16 1sr2 n VAL 779 CO 0.00 0.00 0.00 -1.48 -2.14 0.00 0.00 176.83 173.21 1sr2 s LEU 780 N 6.73 2.75 0.00 1.34 2.34 -1.26 -5.10 118.68 125.48 1sr2 s LEU 780 Ca 1.06 -1.25 0.04 0.00 0.06 0.00 0.00 54.13 54.04 1sr2 s LEU 780 Cb -0.80 -1.22 0.04 0.00 -0.56 0.00 0.00 46.19 43.65 1sr2 s LEU 780 CO 0.49 -0.96 0.32 0.00 -1.06 0.00 0.00 176.35 175.14 1sr2 n GLN 781 N -1.60 0.80 -3.08 1.48 1.13 -1.26 -5.06 117.38 109.79 1sr2 n GLN 781 Ca -0.04 -3.03 -0.45 0.00 -1.94 0.00 0.00 57.00 51.54 1sr2 n GLN 781 Cb 0.65 0.38 -0.03 0.00 0.11 0.00 0.00 30.24 31.35 1sr2 n GLN 781 CO 0.00 0.00 0.00 -1.17 -1.44 0.00 0.00 177.06 174.45 1sr2 s LEU 782 N 0.00 5.62 0.00 1.08 2.96 -1.26 -4.84 118.68 122.25 1sr2 s LEU 782 Ca 0.24 -2.14 0.00 0.00 -0.22 0.00 0.00 54.13 52.01 1sr2 s LEU 782 Cb -0.02 -2.33 0.00 0.00 0.50 0.00 0.00 46.19 44.34 1sr2 s LEU 782 CO 0.15 -0.92 0.00 -0.38 -1.32 0.00 0.00 176.35 173.88 1sr2 n ILE 783 N 5.03 0.00 0.00 6.68 2.08 -1.26 -3.82 119.36 128.06 1sr2 n ILE 783 Ca 0.16 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.47 1sr2 n ILE 783 Cb 0.47 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.36 1sr2 n ILE 783 CO 0.00 0.00 0.00 -1.84 0.56 0.00 0.00 176.55 175.27 1sr2 n GLU 784 N 0.00 0.00 -3.66 0.38 0.28 -1.26 -5.12 120.64 111.26 1sr2 n GLU 784 Ca 0.00 0.00 -0.07 0.00 -0.16 0.00 0.00 57.16 56.93 1sr2 n GLU 784 Cb 0.00 0.00 -0.08 0.00 1.43 0.00 0.00 31.44 32.79 1sr2 n GLU 784 CO 0.00 0.00 0.00 0.14 -0.16 0.00 0.00 177.13 177.11 1sr2 s VAL 785 N 0.00 -0.68 0.05 3.84 -7.23 -1.25 -5.02 120.40 110.11 1sr2 s VAL 785 Ca 0.00 0.13 -0.25 0.00 -1.81 0.00 0.00 61.98 60.04 1sr2 s VAL 785 Cb 0.00 -0.74 -0.17 0.00 0.56 0.00 0.00 36.38 36.03 1sr2 s VAL 785 CO 0.00 0.05 1.56 1.56 -0.31 0.00 0.00 175.10 177.96 1sr2 h GLN 786 N 8.07 -0.16 0.00 4.82 1.08 -2.00 -3.43 115.11 123.48 1sr2 h GLN 786 Ca -0.17 0.01 -0.06 0.00 -1.45 0.00 0.00 58.65 56.98 1sr2 h GLN 786 Cb 1.11 0.04 -0.06 0.00 -0.05 0.00 0.00 27.48 28.52 1sr2 h GLN 786 CO 0.12 0.02 -0.12 -0.11 -0.95 0.00 0.00 178.83 177.79 1sr2 n LEU 787 N -5.09 -0.43 -1.66 1.46 7.94 -1.26 -5.01 117.00 112.94 1sr2 n LEU 787 Ca -0.08 -0.90 -0.07 0.00 -1.11 0.00 0.00 56.01 53.84 1sr2 n LEU 787 Cb 0.15 0.00 0.02 0.00 0.53 0.00 0.00 43.42 44.12 1sr2 n LEU 787 CO 0.33 0.95 1.09 0.00 -1.11 0.00 0.00 177.39 178.65 1sr2 n ALA 788 N 0.00 4.47 -3.71 1.96 0.00 -1.26 -4.75 120.51 117.22 1sr2 n ALA 788 Ca -0.12 -0.70 -0.21 0.00 0.00 0.00 0.00 53.44 52.41 1sr2 n ALA 788 Cb 0.44 -1.16 -0.18 0.00 0.00 0.00 0.00 19.45 18.56 1sr2 n ALA 788 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1sr2 s GLN 789 N -0.77 0.17 6.74 0.00 -0.21 -1.26 -5.09 119.66 119.24 1sr2 s GLN 789 Ca 0.13 0.26 0.00 0.00 0.02 0.00 0.00 55.36 55.77 1sr2 s GLN 789 Cb 0.10 -0.65 0.00 0.00 1.00 0.00 0.00 33.01 33.47 1sr2 s GLN 789 CO -0.00 -0.30 0.00 -1.91 -2.12 0.00 0.00 175.29 170.96 1sr2 n GLU 790 N 5.12 0.00 -2.58 2.91 4.07 -1.26 -5.00 120.64 123.90 1sr2 n GLU 790 Ca -0.07 0.00 -0.01 0.00 -0.06 0.00 0.00 57.16 57.02 1sr2 n GLU 790 Cb 0.50 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.88 1sr2 n GLU 790 CO 0.00 0.00 0.00 -1.91 -0.06 0.00 0.00 177.13 175.16 1sr2 n GLU 791 N 13.78 -2.90 -4.17 5.31 0.00 -1.26 -5.07 120.64 126.33 1sr2 n GLU 791 Ca 0.00 2.41 -0.18 0.00 0.00 0.00 0.00 57.16 59.39 1sr2 n GLU 791 Cb 0.00 -4.91 -0.16 0.00 0.00 0.00 0.00 31.44 26.37 1sr2 n GLU 791 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.13 177.27 1sr2 s VAL 792 N -1.61 0.48 -0.43 6.31 -7.23 -1.26 -5.11 120.40 111.55 1sr2 s VAL 792 Ca 0.04 -0.16 -0.13 0.00 -1.81 0.00 0.00 61.98 59.92 1sr2 s VAL 792 Cb -0.01 -0.47 0.05 0.00 0.56 0.00 0.00 36.38 36.51 1sr2 s VAL 792 CO 0.69 0.18 0.31 -0.89 -0.31 0.00 0.00 175.10 175.08 1sr2 s THR 793 N 0.50 4.91 0.20 5.32 2.01 -1.26 -5.04 115.64 122.26 1sr2 s THR 793 Ca -0.06 -0.99 -0.09 0.00 0.31 0.00 0.00 61.69 60.85 1sr2 s THR 793 Cb -0.10 -3.86 -0.01 0.00 0.01 0.00 0.00 72.50 68.54 1sr2 s THR 793 CO -0.00 -0.43 0.32 -0.70 -0.69 0.00 0.00 174.62 173.12 1sr2 s GLU 794 N 1.59 1.28 -0.14 4.92 2.56 -1.26 -5.12 118.70 122.54 1sr2 s GLU 794 Ca 0.04 -1.26 -0.29 0.00 0.00 0.00 0.00 54.97 53.45 1sr2 s GLU 794 Cb -0.22 0.39 -0.05 0.00 2.00 0.00 0.00 34.13 36.25 1sr2 s GLU 794 CO 0.07 -0.49 1.82 -1.12 -0.56 0.00 0.00 175.26 174.98 1sr2 s SER 795 N -3.01 6.25 0.13 -1.70 0.01 -1.26 -4.86 113.70 109.26 1sr2 s SER 795 Ca 0.22 1.99 0.21 0.00 1.31 0.00 0.00 55.95 59.68 1sr2 s SER 795 Cb 0.03 -2.53 0.85 0.00 0.21 0.00 0.00 66.02 64.58 1sr2 s SER 795 CO 0.05 -1.31 1.64 -0.81 0.41 0.00 0.00 173.24 173.22 1sr2 n PRO 796 N 7.78 0.11 0.08 12.44 -0.04 -1.26 -4.58 135.00 149.53 1sr2 n PRO 796 Ca 0.21 0.30 0.00 0.00 -0.04 0.00 0.00 63.50 63.97 1sr2 n PRO 796 Cb 0.44 -1.69 0.00 0.00 -0.04 0.00 0.00 33.50 32.21 1sr2 n PRO 796 CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93 1sr2 n LEU 797 N -1.89 -1.43 0.00 1.53 -0.00 -1.26 -4.84 117.00 109.11 1sr2 n LEU 797 Ca 0.03 0.32 0.00 0.00 -0.00 0.00 0.00 56.01 56.37 1sr2 n LEU 797 Cb 0.23 1.62 0.00 0.00 -0.00 0.00 0.00 43.42 45.28 1sr2 n LEU 797 CO 0.19 -0.18 0.00 0.61 -0.00 0.00 0.00 177.39 178.01 1sr2 n GLY 798 N -1.45 2.73 0.97 1.47 0.00 -1.26 -4.69 105.19 102.96 1sr2 n GLY 798 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.55 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 0.95 0.88 -0.02 0.00 -1.26 -4.80 105.19 100.95 1sr2 n GLY 799 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 1sr2 n GLY 799 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1sr2 n ASP 800 N 0.00 0.53 -0.19 1.61 5.75 -1.26 -4.97 116.55 118.03 1sr2 n ASP 800 Ca 0.00 -2.10 -0.03 0.00 -0.01 0.00 0.00 54.79 52.65 1sr2 n ASP 800 Cb 0.00 -0.26 0.04 0.00 -1.03 0.00 0.00 41.12 39.87 1sr2 n ASP 800 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 1sr2 h GLU 801 N 0.42 -0.08 -0.63 0.11 3.07 -1.87 0.45 114.58 116.05 1sr2 h GLU 801 Ca -0.09 0.01 -0.09 0.00 -0.50 0.00 0.00 59.36 58.69 1sr2 h GLU 801 Cb 1.57 0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 29.47 1sr2 h GLU 801 CO 0.04 -0.05 0.04 -2.95 -1.40 0.00 0.00 179.01 174.69 1sr2 h ASN 802 N -0.08 1.05 -0.00 1.42 -1.07 -1.93 0.46 115.58 115.43 1sr2 h ASN 802 Ca 0.26 -0.29 -0.23 0.00 0.07 0.00 0.00 56.30 56.11 1sr2 h ASN 802 Cb 0.49 -0.28 0.01 0.00 -2.07 0.00 0.00 38.32 36.47 1sr2 h ASN 802 CO -0.62 1.08 -0.88 0.00 0.07 0.00 0.00 177.43 177.08 1sr2 h ALA 803 N 1.01 0.29 -0.24 4.14 0.00 -1.60 -0.85 119.26 122.01 1sr2 h ALA 803 Ca 0.18 -0.64 -0.02 0.00 0.00 0.00 0.00 54.91 54.43 1sr2 h ALA 803 Cb 0.51 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1sr2 h ALA 803 CO 0.02 0.71 0.08 0.37 0.00 0.00 0.00 179.25 180.44 1sr2 h GLN 804 N 0.44 0.37 0.00 0.00 4.15 0.07 -1.21 115.11 118.93 1sr2 h GLN 804 Ca -0.08 -0.08 -0.07 0.00 0.77 0.00 0.00 58.65 59.20 1sr2 h GLN 804 Cb 1.51 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 29.13 1sr2 h GLN 804 CO 0.17 0.44 -0.31 1.25 -1.93 0.00 0.00 178.83 178.44 1sr2 h LEU 805 N 0.23 0.00 -0.60 -2.39 6.46 -0.09 0.30 115.31 119.22 1sr2 h LEU 805 Ca 0.08 0.00 -0.11 0.00 -0.12 0.00 0.00 57.88 57.73 1sr2 h LEU 805 Cb 0.21 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.13 1sr2 h LEU 805 CO -0.00 0.31 -0.08 -0.74 -0.62 0.00 0.00 178.44 177.31 1sr2 h HIS 806 N 0.00 1.14 0.16 1.25 2.76 -0.77 -1.26 115.15 118.42 1sr2 h HIS 806 Ca -0.00 -0.22 -0.30 0.00 -2.20 0.00 0.00 60.37 57.64 1sr2 h HIS 806 Cb 0.59 -0.29 0.01 0.00 1.55 0.00 0.00 27.41 29.27 1sr2 h HIS 806 CO 0.00 1.04 -1.40 0.00 -1.30 0.00 0.00 177.93 176.27 1sr2 h ALA 807 N 0.97 0.08 0.00 5.26 0.00 -0.47 -3.29 119.26 121.82 1sr2 h ALA 807 Ca 0.15 -0.95 -0.03 0.00 0.00 0.00 0.00 54.91 54.07 1sr2 h ALA 807 Cb 0.64 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 1sr2 h ALA 807 CO 0.04 0.95 -0.15 0.66 0.00 0.00 0.00 179.25 180.76 1sr2 h SER 808 N 0.09 0.00 0.00 0.00 4.64 -0.48 -3.46 113.55 114.34 1sr2 h SER 808 Ca -0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.12 1sr2 h SER 808 Cb 2.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.13 1sr2 h SER 808 CO 0.21 0.15 0.00 0.61 -0.87 0.00 0.00 176.83 176.93 1sr2 n GLY 809 N -0.69 0.85 0.01 -0.77 0.00 -1.09 -4.94 105.19 98.56 1sr2 n GLY 809 Ca -0.02 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.13 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 -2.08 0.00 -0.35 1.61 4.02 -0.85 -3.70 117.16 115.81 1sr2 n TYR 810 Ca 0.00 0.00 0.06 0.00 -0.01 0.00 0.00 57.90 57.95 1sr2 n TYR 810 Cb 0.00 -0.38 0.24 0.00 -0.02 0.00 0.00 39.34 39.18 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 0.05 1.12 -0.66 -0.72 3.20 -1.53 0.77 116.97 119.19 1sr2 h TYR 811 Ca 0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.90 1sr2 h TYR 811 Cb 0.49 -0.36 -0.03 0.00 1.54 0.00 0.00 36.73 38.36 1sr2 h TYR 811 CO 0.00 0.50 0.43 0.00 -1.64 0.00 0.00 178.16 177.45 1sr2 h ALA 812 N 1.52 1.52 0.11 1.82 0.00 -1.87 0.10 119.26 122.45 1sr2 h ALA 812 Ca 0.46 -0.05 -0.29 0.00 0.00 0.00 0.00 54.91 55.03 1sr2 h ALA 812 Cb 0.37 -0.27 0.02 0.00 0.00 0.00 0.00 17.79 17.92 1sr2 h ALA 812 CO -0.21 0.44 -1.21 -0.07 0.00 0.00 0.00 179.25 178.20 1sr2 h LEU 813 N 0.90 0.78 -0.22 0.00 3.38 -1.45 -3.10 115.31 115.60 1sr2 h LEU 813 Ca 0.24 -0.72 0.03 0.00 0.09 0.00 0.00 57.88 57.52 1sr2 h LEU 813 Cb -0.09 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.38 1sr2 h LEU 813 CO -0.05 1.53 0.01 0.15 0.09 0.00 0.00 178.44 180.17 1sr2 h PHE 814 N 0.25 0.01 0.00 1.13 3.57 -0.23 -0.06 116.94 121.60 1sr2 h PHE 814 Ca -0.17 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.35 1sr2 h PHE 814 Cb 1.89 0.03 0.00 0.00 2.79 0.00 0.00 35.95 40.66 1sr2 h PHE 814 CO 0.10 -0.02 0.00 1.33 -2.23 0.00 0.00 178.31 177.49 1sr2 n VAL 815 N -5.13 0.06 -0.13 1.41 0.24 -0.04 -2.72 118.33 112.02 1sr2 n VAL 815 Ca -0.02 0.01 -0.28 0.00 -2.04 0.00 0.00 64.34 62.02 1sr2 n VAL 815 Cb 0.11 -0.55 -0.10 0.00 -1.47 0.00 0.00 33.84 31.83 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 -1.20 1.94 0.06 -1.34 2.03 -0.70 -4.52 116.55 112.82 1sr2 n ASP 816 Ca 0.16 0.35 -0.04 0.00 0.52 0.00 0.00 54.79 55.78 1sr2 n ASP 816 Cb 0.19 -0.85 -0.02 0.00 -0.72 0.00 0.00 41.12 39.72 1sr2 n ASP 816 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 1sr2 h THR 817 N -0.97 0.00 0.78 5.18 1.35 -1.09 -3.32 112.91 114.84 1sr2 h THR 817 Ca -0.61 -0.76 -0.03 0.00 -0.55 0.00 0.00 66.41 64.45 1sr2 h THR 817 Cb 1.55 0.00 -0.00 0.00 -1.73 0.00 0.00 68.15 67.97 1sr2 h THR 817 CO -0.36 0.00 -0.47 0.58 -0.25 0.00 0.00 175.52 175.02 1sr2 h VAL 818 N -1.01 0.00 -0.42 6.82 2.07 -1.73 -0.45 116.25 121.53 1sr2 h VAL 818 Ca -0.03 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.57 1sr2 h VAL 818 Cb 0.19 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 29.89 1sr2 h VAL 818 CO 0.04 0.00 -0.00 -0.65 0.02 0.00 0.00 177.57 176.98 1sr2 h PRO 819 N -1.17 0.10 -0.34 1.57 0.11 -1.79 0.33 132.00 130.83 1sr2 h PRO 819 Ca -0.11 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.97 1sr2 h PRO 819 Cb 0.93 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.00 1sr2 h PRO 819 CO 0.11 0.07 0.10 0.22 -0.21 0.00 0.00 178.00 178.30 1sr2 h ASP 820 N 0.11 0.50 1.21 -2.05 3.58 -1.64 -2.07 116.42 116.05 1sr2 h ASP 820 Ca 0.21 -0.21 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1sr2 h ASP 820 Cb 0.30 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 41.22 1sr2 h ASP 820 CO -0.35 0.57 0.00 0.44 -2.88 0.00 0.00 179.24 177.02 1sr2 h ASP 821 N 0.39 0.00 -0.11 2.28 5.19 -0.58 0.59 116.42 124.18 1sr2 h ASP 821 Ca 0.11 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.49 1sr2 h ASP 821 Cb 0.26 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.76 1sr2 h ASP 821 CO -0.00 0.00 -0.05 0.58 -3.12 0.00 0.00 179.24 176.64 1sr2 h VAL 822 N 0.00 1.32 -0.61 -1.35 2.07 0.14 0.48 116.25 118.31 1sr2 h VAL 822 Ca 0.00 -1.08 -0.05 0.00 0.82 0.00 0.00 66.70 66.39 1sr2 h VAL 822 Cb 0.60 1.82 -0.03 0.00 -1.52 0.00 0.00 31.29 32.16 1sr2 h VAL 822 CO 0.00 0.31 0.18 0.11 0.02 0.00 0.00 177.57 178.19 1sr2 h LYS 823 N -0.13 0.92 -0.10 1.57 1.57 -0.94 -1.08 116.57 118.38 1sr2 h LYS 823 Ca 0.02 -0.18 -0.00 0.00 -1.87 0.00 0.00 60.65 58.62 1sr2 h LYS 823 Cb 0.51 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.67 1sr2 h LYS 823 CO 0.02 0.80 0.06 0.00 -0.57 0.00 0.00 179.45 179.75 1sr2 h ARG 824 N 0.90 0.14 -0.60 3.15 3.08 -0.79 -1.47 114.38 118.78 1sr2 h ARG 824 Ca 0.20 -0.01 0.12 0.00 0.07 0.00 0.00 59.98 60.35 1sr2 h ARG 824 Cb 0.27 -0.03 -0.09 0.00 0.08 0.00 0.00 29.97 30.20 1sr2 h ARG 824 CO -0.01 0.14 0.11 -0.07 -1.07 0.00 0.00 179.97 179.07 1sr2 h LEU 825 N 0.09 -0.05 -0.66 3.04 3.38 0.44 0.34 115.31 121.89 1sr2 h LEU 825 Ca 0.04 0.12 0.12 0.00 0.09 0.00 0.00 57.88 58.25 1sr2 h LEU 825 Cb 0.04 0.17 -0.09 0.00 0.09 0.00 0.00 40.66 40.88 1sr2 h LEU 825 CO -0.01 -0.02 0.21 1.88 0.09 0.00 0.00 178.44 180.60 1sr2 h TYR 826 N 0.23 0.35 -0.18 1.13 0.05 -0.89 0.14 116.97 117.80 1sr2 h TYR 826 Ca 0.32 0.04 -0.05 0.00 0.05 0.00 0.00 58.73 59.08 1sr2 h TYR 826 Cb 0.48 -0.05 -0.00 0.00 1.01 0.00 0.00 36.73 38.17 1sr2 h TYR 826 CO -0.27 0.02 -0.10 1.15 -1.05 0.00 0.00 178.16 177.92 1sr2 h THR 827 N 0.35 1.31 -0.13 -2.88 2.02 0.55 -1.66 112.91 112.47 1sr2 h THR 827 Ca 0.35 -1.17 -0.14 0.00 0.77 0.00 0.00 66.41 66.22 1sr2 h THR 827 Cb 0.51 1.69 -0.01 0.00 -1.74 0.00 0.00 68.15 68.61 1sr2 h THR 827 CO -0.39 0.35 -0.52 -0.33 0.37 0.00 0.00 175.52 175.00 1sr2 h GLU 828 N 0.07 0.36 -0.38 6.66 5.08 -0.27 -1.99 114.58 124.11 1sr2 h GLU 828 Ca 0.04 -0.22 -0.03 0.00 -1.00 0.00 0.00 59.36 58.15 1sr2 h GLU 828 Cb 0.59 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.84 1sr2 h GLU 828 CO 0.03 0.80 0.10 0.00 -1.00 0.00 0.00 179.01 178.94 1sr2 h ALA 829 N 1.16 0.50 0.00 3.43 0.00 -0.68 0.30 119.26 123.98 1sr2 h ALA 829 Ca 0.01 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 1sr2 h ALA 829 Cb 1.02 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1sr2 h ALA 829 CO 0.09 0.17 -0.20 0.00 0.00 0.00 0.00 179.25 179.31 1sr2 h ALA 830 N 0.95 1.66 0.00 0.00 0.00 -1.18 -0.58 119.26 120.11 1sr2 h ALA 830 Ca 0.12 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1sr2 h ALA 830 Cb 0.29 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1sr2 h ALA 830 CO -0.00 0.25 -0.30 2.41 0.00 0.00 0.00 179.25 181.61 1sr2 n THR 831 N -4.29 0.32 -2.51 0.00 -1.04 -0.76 -4.93 114.28 101.08 1sr2 n THR 831 Ca -0.02 -0.19 -0.18 0.00 -2.04 0.00 0.00 64.05 61.62 1sr2 n THR 831 Cb 0.26 -0.28 0.00 0.00 -1.82 0.00 0.00 70.33 68.49 1sr2 n THR 831 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1sr2 n SER 832 N -1.97 -5.19 -4.22 8.00 7.64 0.84 -4.91 113.62 113.81 1sr2 n SER 832 Ca 0.05 -0.09 -0.43 0.00 1.01 0.00 0.00 58.87 59.41 1sr2 n SER 832 Cb 0.40 -4.19 0.00 0.00 -1.01 0.00 0.00 64.21 59.41 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 -1.47 5.02 0.28 6.43 -0.08 0.07 -4.77 116.55 122.03 1sr2 n ASP 833 Ca -0.17 -3.00 0.14 0.00 -1.51 0.00 0.00 54.79 50.25 1sr2 n ASP 833 Cb 0.64 -1.57 0.82 0.00 2.34 0.00 0.00 41.12 43.35 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 6.63 0.00 -0.52 -0.67 0.04 -1.91 0.13 116.94 120.64 1sr2 h PHE 834 Ca 0.38 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 61.12 1sr2 h PHE 834 Cb 0.77 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.90 1sr2 h PHE 834 CO 1.23 0.07 0.21 0.00 -0.60 0.00 0.00 178.31 179.22 1sr2 h ALA 835 N 1.93 0.68 -0.11 2.45 0.00 -1.98 0.11 119.26 122.34 1sr2 h ALA 835 Ca -0.00 -0.15 -0.21 0.00 0.00 0.00 0.00 54.91 54.54 1sr2 h ALA 835 Cb 0.21 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 17.80 1sr2 h ALA 835 CO 0.01 0.28 -0.78 0.00 0.00 0.00 0.00 179.25 178.76 1sr2 h ALA 836 N 1.06 0.40 -0.41 0.00 0.00 -1.55 -2.18 119.26 116.58 1sr2 h ALA 836 Ca 0.17 -0.61 0.06 0.00 0.00 0.00 0.00 54.91 54.53 1sr2 h ALA 836 Cb 0.19 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.90 1sr2 h ALA 836 CO -0.02 0.72 0.12 1.25 0.00 0.00 0.00 179.25 181.32 1sr2 h LEU 837 N 0.43 0.09 -0.52 0.00 5.85 -0.64 0.22 115.31 120.74 1sr2 h LEU 837 Ca -0.05 0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 1sr2 h LEU 837 Cb 1.40 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 42.46 1sr2 h LEU 837 CO 0.15 0.09 0.25 0.00 -0.34 0.00 0.00 178.44 178.59 1sr2 h ALA 838 N 1.29 0.67 -0.52 1.25 0.00 -0.68 0.18 119.26 121.46 1sr2 h ALA 838 Ca 0.20 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1sr2 h ALA 838 Cb 0.21 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1sr2 h ALA 838 CO -0.22 0.23 0.21 1.96 0.00 0.00 0.00 179.25 181.42 1sr2 h GLN 839 N 0.70 0.77 -0.31 0.00 1.08 -0.92 -0.99 115.11 115.44 1sr2 h GLN 839 Ca 0.18 -0.14 -0.03 0.00 -1.45 0.00 0.00 58.65 57.21 1sr2 h GLN 839 Cb 0.11 -0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 27.40 1sr2 h GLN 839 CO -0.02 0.68 0.07 1.15 -0.95 0.00 0.00 178.83 179.76 1sr2 h THR 840 N 0.69 1.22 -1.00 -0.54 2.02 -0.30 -0.75 112.91 114.26 1sr2 h THR 840 Ca 0.17 -0.74 0.02 0.00 0.77 0.00 0.00 66.41 66.63 1sr2 h THR 840 Cb 0.19 1.12 -0.05 0.00 -1.74 0.00 0.00 68.15 67.68 1sr2 h THR 840 CO -0.01 0.25 0.66 0.00 0.37 0.00 0.00 175.52 176.78 1sr2 h ALA 841 N 0.90 1.28 -0.45 6.16 0.00 -0.51 0.16 119.26 126.81 1sr2 h ALA 841 Ca 0.10 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 1sr2 h ALA 841 Cb 0.30 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1sr2 h ALA 841 CO 0.00 0.63 0.02 1.25 0.00 0.00 0.00 179.25 181.16 1sr2 h HIS 842 N 1.34 0.85 -0.39 0.00 6.17 -0.99 0.15 115.15 122.27 1sr2 h HIS 842 Ca 0.38 -0.14 -0.02 0.00 0.71 0.00 0.00 60.37 61.30 1sr2 h HIS 842 Cb -0.12 -0.22 -0.02 0.00 2.52 0.00 0.00 27.41 29.57 1sr2 h HIS 842 CO -0.00 0.82 0.17 -0.09 0.71 0.00 0.00 177.93 179.54 1sr2 h ARG 843 N 0.63 0.57 -0.43 5.26 2.43 -0.40 -1.09 114.38 121.35 1sr2 h ARG 843 Ca 0.13 -0.09 -0.15 0.00 -0.81 0.00 0.00 59.98 59.06 1sr2 h ARG 843 Cb 0.46 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.91 1sr2 h ARG 843 CO 0.02 0.52 -0.32 -0.07 -1.51 0.00 0.00 179.97 178.61 1sr2 h LEU 844 N 0.49 1.02 -0.58 3.80 3.38 -0.61 0.33 115.31 123.13 1sr2 h LEU 844 Ca 0.13 -0.44 0.06 0.00 0.09 0.00 0.00 57.88 57.73 1sr2 h LEU 844 Cb 0.15 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.56 1sr2 h LEU 844 CO -0.01 1.24 0.29 0.50 0.09 0.00 0.00 178.44 180.55 1sr2 h LYS 845 N 0.81 0.53 -0.36 1.13 3.64 -0.54 0.16 116.57 121.93 1sr2 h LYS 845 Ca 0.08 -0.03 -0.13 0.00 -1.27 0.00 0.00 60.65 59.30 1sr2 h LYS 845 Cb 0.91 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.60 1sr2 h LYS 845 CO 0.08 0.35 -0.32 0.78 -2.27 0.00 0.00 179.45 178.08 1sr2 h GLY 846 N 0.54 0.87 0.90 5.01 0.00 -0.97 -2.02 103.07 107.40 1sr2 h GLY 846 Ca 0.27 -0.81 -0.01 0.00 0.00 0.00 0.00 47.33 46.78 1sr2 h GLY 846 CO -0.20 0.74 -0.06 -2.08 0.00 0.00 0.00 176.54 174.94 1sr2 h VAL 847 N 0.67 0.94 -0.25 4.60 2.07 -0.11 0.26 116.25 124.45 1sr2 h VAL 847 Ca 0.07 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.38 1sr2 h VAL 847 Cb 0.86 1.08 -0.01 0.00 -1.52 0.00 0.00 31.29 31.70 1sr2 h VAL 847 CO 0.08 0.05 0.16 -0.26 0.02 0.00 0.00 177.57 177.61 1sr2 h PHE 848 N -0.25 0.30 -0.48 1.57 0.04 -0.74 -0.09 116.94 117.28 1sr2 h PHE 848 Ca -0.02 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.76 1sr2 h PHE 848 Cb 0.21 -0.10 -0.02 0.00 2.20 0.00 0.00 35.95 38.23 1sr2 h PHE 848 CO -0.04 0.18 0.30 0.00 -0.60 0.00 0.00 178.31 178.16 1sr2 h ALA 849 N 1.10 1.62 -0.23 2.45 0.00 -1.22 0.52 119.26 123.50 1sr2 h ALA 849 Ca 0.09 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.82 1sr2 h ALA 849 Cb -0.03 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1sr2 h ALA 849 CO -0.03 0.34 -0.42 1.98 0.00 0.00 0.00 179.25 181.12 1sr2 h MET 850 N 0.66 0.55 -0.00 0.00 1.85 0.37 -2.22 114.93 116.14 1sr2 h MET 850 Ca 0.18 -0.28 0.00 0.00 -0.61 0.00 0.00 59.70 58.98 1sr2 h MET 850 Cb -0.05 0.01 0.00 0.00 0.43 0.00 0.00 31.60 31.99 1sr2 h MET 850 CO -0.04 0.87 -0.07 1.28 -0.40 0.00 0.00 176.91 178.55 1sr2 n LEU 851 N -4.02 0.07 -0.04 3.39 4.77 -0.12 -4.89 117.00 116.16 1sr2 n LEU 851 Ca -0.02 0.41 -0.01 0.00 -0.03 0.00 0.00 56.01 56.37 1sr2 n LEU 851 Cb 0.52 -0.45 -0.00 0.00 -2.33 0.00 0.00 43.42 41.16 1sr2 n LEU 851 CO 0.45 0.02 -0.01 -3.20 -1.33 0.00 0.00 177.39 173.32 1sr2 n ASN 852 N -1.48 -2.75 -3.78 -1.43 2.85 0.25 -4.90 115.26 104.02 1sr2 n ASN 852 Ca 0.07 0.01 -0.42 0.00 -0.11 0.00 0.00 54.58 54.13 1sr2 n ASN 852 Cb 0.33 -0.61 0.00 0.00 1.24 0.00 0.00 39.78 40.74 1sr2 n ASN 852 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 1sr2 n LEU 853 N -0.06 6.79 -0.00 1.20 4.77 0.16 -4.80 117.00 125.05 1sr2 n LEU 853 Ca -0.01 -4.35 -0.09 0.00 -0.03 0.00 0.00 56.01 51.53 1sr2 n LEU 853 Cb 0.10 -1.59 -0.03 0.00 -2.33 0.00 0.00 43.42 39.57 1sr2 n LEU 853 CO 0.01 1.22 0.72 0.58 -1.33 0.00 0.00 177.39 178.58 1sr2 h VAL 854 N 3.89 0.46 -0.92 4.08 2.07 -1.84 0.31 116.25 124.31 1sr2 h VAL 854 Ca 0.50 0.00 0.13 0.00 0.82 0.00 0.00 66.70 68.15 1sr2 h VAL 854 Cb 0.63 0.46 -0.07 0.00 -1.52 0.00 0.00 31.29 30.79 1sr2 h VAL 854 CO 1.78 0.00 0.59 -0.65 0.02 0.00 0.00 177.57 179.31 1sr2 h PRO 855 N -0.27 0.75 -0.30 1.57 0.11 -1.92 0.31 132.00 132.26 1sr2 h PRO 855 Ca 0.10 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 66.10 1sr2 h PRO 855 Cb 0.42 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.35 1sr2 h PRO 855 CO -0.29 0.50 -0.06 0.78 -0.21 0.00 0.00 178.00 178.72 1sr2 h GLY 856 N 0.78 0.61 1.17 -0.55 0.00 -1.67 -1.79 103.07 101.63 1sr2 h GLY 856 Ca 0.46 -0.50 -0.03 0.00 0.00 0.00 0.00 47.33 47.26 1sr2 h GLY 856 CO -0.22 0.45 0.36 1.70 0.00 0.00 0.00 176.54 178.84 1sr2 h LYS 857 N 0.33 1.07 -0.65 4.80 3.11 0.07 -1.43 116.57 123.87 1sr2 h LYS 857 Ca 0.08 -0.15 0.06 0.00 -2.81 0.00 0.00 60.65 57.83 1sr2 h LYS 857 Cb 0.54 -0.20 -0.05 0.00 -1.00 0.00 0.00 32.23 31.52 1sr2 h LYS 857 CO 0.03 0.82 0.36 1.96 -2.81 0.00 0.00 179.45 179.81 1sr2 h GLN 858 N 1.06 0.64 -0.39 1.90 1.08 -0.22 0.20 115.11 119.38 1sr2 h GLN 858 Ca 0.26 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.42 1sr2 h GLN 858 Cb 0.11 -0.14 -0.02 0.00 -0.05 0.00 0.00 27.48 27.37 1sr2 h GLN 858 CO -0.03 0.42 0.25 -0.07 -0.95 0.00 0.00 178.83 178.45 1sr2 h LEU 859 N 0.66 0.45 -1.53 1.46 3.38 -0.63 -2.09 115.31 117.00 1sr2 h LEU 859 Ca 0.29 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.20 1sr2 h LEU 859 Cb 0.19 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1sr2 h LEU 859 CO -0.19 0.33 -0.16 0.00 0.09 0.00 0.00 178.44 178.51 1sr2 h GLU 861 N 0.09 -0.04 -0.92 0.00 4.39 -0.07 0.56 114.58 118.59 1sr2 h GLU 861 Ca 0.02 0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.73 1sr2 h GLU 861 Cb 0.35 0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 28.96 1sr2 h GLU 861 CO 0.02 0.00 0.60 1.15 -1.16 0.00 0.00 179.01 179.62 1sr2 h THR 862 N -0.08 1.24 -0.08 1.13 2.02 -0.72 -1.68 112.91 114.74 1sr2 h THR 862 Ca -0.00 -0.46 -0.00 0.00 0.77 0.00 0.00 66.41 66.72 1sr2 h THR 862 Cb 0.07 -0.10 -0.00 0.00 -1.74 0.00 0.00 68.15 66.37 1sr2 h THR 862 CO 0.01 0.24 0.04 0.25 0.37 0.00 0.00 175.52 176.43 1sr2 h LEU 863 N 1.25 0.11 -1.13 2.58 7.12 -0.64 0.40 115.31 125.00 1sr2 h LEU 863 Ca 0.34 -0.11 0.10 0.00 0.13 0.00 0.00 57.88 58.33 1sr2 h LEU 863 Cb -0.13 -0.03 -0.07 0.00 -0.53 0.00 0.00 40.66 39.91 1sr2 h LEU 863 CO -0.07 0.19 0.60 -0.33 -0.13 0.00 0.00 178.44 178.70 1sr2 h GLU 864 N 0.02 0.93 -0.42 1.25 5.08 -0.64 0.57 114.58 121.37 1sr2 h GLU 864 Ca 0.03 -0.06 -0.09 0.00 -1.00 0.00 0.00 59.36 58.24 1sr2 h GLU 864 Cb 0.10 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.13 1sr2 h GLU 864 CO -0.00 0.62 -0.09 1.25 -1.00 0.00 0.00 179.01 179.78 1sr2 h HIS 865 N 0.96 0.91 -0.52 4.33 2.76 -0.71 -1.23 115.15 121.64 1sr2 h HIS 865 Ca 0.43 -0.19 -0.03 0.00 -2.20 0.00 0.00 60.37 58.38 1sr2 h HIS 865 Cb 0.38 -0.22 -0.03 0.00 1.55 0.00 0.00 27.41 29.09 1sr2 h HIS 865 CO -0.00 0.92 0.20 -0.07 -1.30 0.00 0.00 177.93 177.68 1sr2 h LEU 866 N 0.63 0.68 -0.34 0.26 3.38 0.13 0.65 115.31 120.71 1sr2 h LEU 866 Ca 0.11 -0.08 -0.19 0.00 0.09 0.00 0.00 57.88 57.81 1sr2 h LEU 866 Cb 0.62 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1sr2 h LEU 866 CO 0.04 0.62 -0.63 0.40 0.09 0.00 0.00 178.44 178.96 1sr2 h ILE 867 N 0.74 1.30 0.00 1.22 2.04 -0.82 0.33 117.51 122.32 1sr2 h ILE 867 Ca 0.18 -1.86 -0.07 0.00 1.00 0.00 0.00 64.86 64.11 1sr2 h ILE 867 Cb 0.15 1.81 -0.01 0.00 -0.74 0.00 0.00 36.82 38.04 1sr2 h ILE 867 CO -0.02 0.59 -0.32 0.08 0.00 0.00 0.00 178.15 178.48 1sr2 h ARG 868 N 0.53 0.00 -0.02 2.37 -0.00 -0.57 -2.50 114.38 114.17 1sr2 h ARG 868 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.97 1sr2 h ARG 868 Cb 1.22 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.19 1sr2 h ARG 868 CO 0.13 0.32 -0.07 0.39 -0.00 0.00 0.00 179.97 180.74 1sr2 n GLU 869 N -3.91 2.02 -3.73 0.08 -0.58 0.16 -4.97 120.64 109.71 1sr2 n GLU 869 Ca -0.02 -1.59 -0.23 0.00 -0.42 0.00 0.00 57.16 54.90 1sr2 n GLU 869 Cb 0.39 -1.47 0.04 0.00 -0.57 0.00 0.00 31.44 29.83 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 0.90 -5.44 -3.04 3.49 4.01 -0.13 -4.91 118.16 113.04 1sr2 n LYS 870 Ca 0.14 0.65 -0.44 0.00 -0.51 0.00 0.00 58.31 58.15 1sr2 n LYS 870 Cb 0.53 -5.37 -0.01 0.00 -0.51 0.00 0.00 35.03 29.67 1sr2 n LYS 870 CO 0.00 0.00 0.00 0.34 -1.11 0.00 0.00 177.40 176.63 1sr2 s ASP 871 N -4.01 6.97 0.13 4.39 -1.08 0.99 -4.91 116.67 119.14 1sr2 s ASP 871 Ca 0.22 -2.81 -0.28 0.00 -0.52 0.00 0.00 52.55 49.15 1sr2 s ASP 871 Cb -0.11 -2.35 -0.06 0.00 -1.46 0.00 0.00 42.92 38.95 1sr2 s ASP 871 CO 0.80 -0.74 1.60 0.58 0.52 0.00 0.00 175.17 177.93 1sr2 h VAL 872 N 4.83 0.21 -0.87 1.11 2.07 -1.91 -1.11 116.25 120.57 1sr2 h VAL 872 Ca 0.23 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.85 1sr2 h VAL 872 Cb 0.93 0.21 -0.08 0.00 -1.52 0.00 0.00 31.29 30.83 1sr2 h VAL 872 CO 1.12 0.00 0.51 -0.65 0.02 0.00 0.00 177.57 178.57 1sr2 h PRO 873 N -0.50 0.81 -0.82 1.57 0.11 -1.99 -1.41 132.00 129.77 1sr2 h PRO 873 Ca 0.07 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 66.10 1sr2 h PRO 873 Cb 0.61 -0.18 -0.04 0.00 0.11 0.00 0.00 31.00 31.50 1sr2 h PRO 873 CO -0.33 0.53 0.39 0.78 -0.21 0.00 0.00 178.00 179.16 1sr2 h GLY 874 N 0.83 1.27 0.70 -0.55 0.00 -1.82 -1.46 103.07 102.04 1sr2 h GLY 874 Ca 0.43 -0.63 -0.01 0.00 0.00 0.00 0.00 47.33 47.11 1sr2 h GLY 874 CO -0.26 0.60 -0.12 -2.22 0.00 0.00 0.00 176.54 174.54 1sr2 h ILE 875 N 1.17 0.81 -0.63 2.60 2.04 -0.18 -1.31 117.51 122.01 1sr2 h ILE 875 Ca 0.28 -0.58 -0.03 0.00 1.00 0.00 0.00 64.86 65.53 1sr2 h ILE 875 Cb 0.13 1.13 -0.03 0.00 -0.74 0.00 0.00 36.82 37.30 1sr2 h ILE 875 CO -0.03 0.12 0.26 1.05 0.00 0.00 0.00 178.15 179.55 1sr2 h GLU 876 N -0.64 0.94 -0.99 2.37 4.11 -1.33 -1.27 114.58 117.78 1sr2 h GLU 876 Ca -0.03 -0.17 0.03 0.00 0.07 0.00 0.00 59.36 59.26 1sr2 h GLU 876 Cb 0.46 -0.15 -0.05 0.00 0.50 0.00 0.00 28.75 29.50 1sr2 h GLU 876 CO 0.06 0.79 0.65 -0.22 0.07 0.00 0.00 179.01 180.35 1sr2 h LYS 877 N 0.88 1.24 -0.60 1.06 3.64 -1.29 -1.91 116.57 119.59 1sr2 h LYS 877 Ca 0.21 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 1sr2 h LYS 877 Cb 0.19 -0.28 -0.03 0.00 -0.41 0.00 0.00 32.23 31.70 1sr2 h LYS 877 CO -0.02 0.82 0.37 -0.92 -2.27 0.00 0.00 179.45 177.43 1sr2 h TYR 878 N 1.28 0.77 -0.84 1.91 3.20 -0.31 -1.08 116.97 121.90 1sr2 h TYR 878 Ca 0.38 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.25 1sr2 h TYR 878 Cb -0.05 -0.26 -0.04 0.00 1.54 0.00 0.00 36.73 37.92 1sr2 h TYR 878 CO -0.00 0.51 0.49 0.82 -1.64 0.00 0.00 178.16 178.34 1sr2 h ILE 879 N 0.81 1.24 -0.35 1.81 2.04 -0.51 0.64 117.51 123.19 1sr2 h ILE 879 Ca 0.22 -0.55 -0.08 0.00 1.00 0.00 0.00 64.86 65.45 1sr2 h ILE 879 Cb -0.05 0.08 -0.02 0.00 -0.74 0.00 0.00 36.82 36.10 1sr2 h ILE 879 CO -0.04 0.26 -0.11 0.77 0.00 0.00 0.00 178.15 179.02 1sr2 h SER 880 N 1.16 0.58 0.66 1.72 4.64 -1.14 -1.19 113.55 119.97 1sr2 h SER 880 Ca 0.30 -0.16 -0.22 0.00 -0.47 0.00 0.00 61.79 61.24 1sr2 h SER 880 Cb -0.02 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 61.91 1sr2 h SER 880 CO -0.05 0.72 -1.01 0.44 -0.87 0.00 0.00 176.83 176.06 1sr2 h ASP 881 N 0.55 0.28 0.63 4.97 3.32 0.10 -1.80 116.42 124.46 1sr2 h ASP 881 Ca 0.10 -0.26 -0.17 0.00 0.02 0.00 0.00 57.03 56.72 1sr2 h ASP 881 Cb 0.51 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.96 1sr2 h ASP 881 CO 0.03 1.13 -0.77 -0.29 -1.72 0.00 0.00 179.24 177.62 1sr2 h ILE 882 N 0.09 1.50 -0.26 0.35 2.10 0.30 0.11 117.51 121.70 1sr2 h ILE 882 Ca -0.07 -2.48 -0.08 0.00 1.08 0.00 0.00 64.86 63.32 1sr2 h ILE 882 Cb 1.70 2.35 -0.01 0.00 -1.09 0.00 0.00 36.82 39.77 1sr2 h ILE 882 CO 0.16 0.72 -0.14 -0.78 -1.08 0.00 0.00 178.15 177.02 1sr2 h ASP 883 N 0.06 0.57 -0.15 2.19 3.58 -1.15 -0.00 116.42 121.52 1sr2 h ASP 883 Ca -0.02 -0.42 -0.09 0.00 0.42 0.00 0.00 57.03 56.92 1sr2 h ASP 883 Cb 1.35 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 42.23 1sr2 h ASP 883 CO 0.11 0.86 -0.20 0.77 -2.88 0.00 0.00 179.24 177.90 1sr2 h SER 884 N 0.27 0.57 0.64 2.28 4.64 -1.33 -1.57 113.55 119.05 1sr2 h SER 884 Ca 0.05 -0.18 -0.02 0.00 -0.47 0.00 0.00 61.79 61.17 1sr2 h SER 884 Cb 0.65 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.58 1sr2 h SER 884 CO 0.04 0.78 -0.43 0.22 -0.87 0.00 0.00 176.83 176.56 1sr2 h TYR 885 N 0.51 -1.16 -0.07 4.77 3.20 -0.37 -0.85 116.97 123.01 1sr2 h TYR 885 Ca 0.08 -0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.86 1sr2 h TYR 885 Cb 0.63 0.42 -0.01 0.00 1.54 0.00 0.00 36.73 39.32 1sr2 h TYR 885 CO 0.02 -0.64 -0.36 -0.24 -1.64 0.00 0.00 178.16 175.30 1sr2 h VAL 886 N -1.03 1.28 0.00 1.81 3.04 -0.98 -0.87 116.25 119.49 1sr2 h VAL 886 Ca -0.08 -1.34 -0.11 0.00 -1.01 0.00 0.00 66.70 64.16 1sr2 h VAL 886 Cb 0.84 1.64 -0.02 0.00 -2.01 0.00 0.00 31.29 31.74 1sr2 h VAL 886 CO 0.05 0.39 -0.53 0.11 -1.01 0.00 0.00 177.57 176.59 1sr2 h LYS 887 N 0.12 0.00 0.00 4.17 1.57 -1.11 -0.54 116.57 120.78 1sr2 h LYS 887 Ca 0.01 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.67 1sr2 h LYS 887 Cb 0.70 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.99 1sr2 h LYS 887 CO 0.05 0.53 -0.88 0.66 -0.57 0.00 0.00 179.45 179.24 1sr2 h SER 888 N 0.00 0.00 1.41 0.86 4.64 -0.56 -3.27 113.55 116.62 1sr2 h SER 888 Ca -0.01 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.20 1sr2 h SER 888 Cb 1.01 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.09 1sr2 h SER 888 CO 0.07 0.52 -0.52 -0.07 -0.87 0.00 0.00 176.83 175.95 1sr2 h LEU 889 N 0.00 0.00 0.00 5.97 4.07 -0.94 -3.51 115.31 120.89 1sr2 h LEU 889 Ca -0.07 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.89 1sr2 h LEU 889 Cb 1.45 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.19 1sr2 h LEU 889 CO 0.06 0.52 0.00 0.18 -1.08 0.00 0.00 178.44 178.12