#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 0.11 2.12 1.13 -1.26 -4.66 117.38 114.81 1sr2 n GLN 776 Ca 0.00 0.00 -0.24 0.00 -1.94 0.00 0.00 57.00 54.82 1sr2 n GLN 776 Cb 0.00 0.00 -0.15 0.00 0.11 0.00 0.00 30.24 30.20 1sr2 n GLN 776 CO 0.00 0.00 0.00 1.49 -1.44 0.00 0.00 177.06 177.11 1sr2 h GLU 777 N 0.00 0.46 -3.43 -1.09 4.81 -2.11 -3.37 114.58 109.86 1sr2 h GLU 777 Ca 0.00 -0.79 -0.77 0.00 -0.13 0.00 0.00 59.36 57.67 1sr2 h GLU 777 Cb 0.00 0.29 -0.19 0.00 0.63 0.00 0.00 28.75 29.48 1sr2 h GLU 777 CO 0.00 1.38 1.59 0.00 -0.73 0.00 0.00 179.01 181.25 1sr2 n ALA 778 N -2.79 5.18 0.10 2.92 0.00 -1.26 -4.74 120.51 119.92 1sr2 n ALA 778 Ca -0.21 -4.46 -0.13 0.00 0.00 0.00 0.00 53.44 48.65 1sr2 n ALA 778 Cb 1.09 -2.80 -0.08 0.00 0.00 0.00 0.00 19.45 17.66 1sr2 n ALA 778 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1sr2 h VAL 779 N 3.71 0.91 -3.62 0.00 2.07 -1.83 -3.39 116.25 114.10 1sr2 h VAL 779 Ca 0.33 -0.72 -0.24 0.00 0.82 0.00 0.00 66.70 66.88 1sr2 h VAL 779 Cb 0.65 1.33 -0.29 0.00 -1.52 0.00 0.00 31.29 31.45 1sr2 h VAL 779 CO 1.50 0.16 -0.70 -1.48 0.02 0.00 0.00 177.57 177.07 1sr2 s LEU 780 N -9.46 1.66 0.00 2.57 0.05 -1.26 -4.95 118.68 107.29 1sr2 s LEU 780 Ca -0.14 0.06 0.00 0.00 0.05 0.00 0.00 54.13 54.09 1sr2 s LEU 780 Cb 0.02 0.05 0.01 0.00 -2.05 0.00 0.00 46.19 44.23 1sr2 s LEU 780 CO 0.58 -0.04 0.10 0.00 -0.55 0.00 0.00 176.35 176.44 1sr2 n GLN 781 N 3.39 0.70 -3.53 1.48 6.02 -1.26 -5.12 117.38 119.05 1sr2 n GLN 781 Ca -0.17 -0.32 -0.16 0.00 -0.01 0.00 0.00 57.00 56.35 1sr2 n GLN 781 Cb 0.57 -0.06 -0.13 0.00 1.02 0.00 0.00 30.24 31.65 1sr2 n GLN 781 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 1sr2 s LEU 782 N 0.00 -0.23 0.00 1.08 2.96 -1.26 -4.99 118.68 116.25 1sr2 s LEU 782 Ca 0.07 0.10 0.00 0.00 -0.22 0.00 0.00 54.13 54.08 1sr2 s LEU 782 Cb -0.00 0.56 0.00 0.00 0.50 0.00 0.00 46.19 47.24 1sr2 s LEU 782 CO 0.05 -0.29 0.00 -0.38 -1.32 0.00 0.00 176.35 174.40 1sr2 n ILE 783 N 5.33 0.00 0.05 6.68 5.41 -1.26 -3.86 119.36 131.71 1sr2 n ILE 783 Ca -0.05 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.70 1sr2 n ILE 783 Cb 0.50 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.43 1sr2 n ILE 783 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 1sr2 n GLU 784 N 0.00 0.00 -3.20 0.38 2.13 -1.26 -5.06 120.64 113.63 1sr2 n GLU 784 Ca 0.00 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 57.81 1sr2 n GLU 784 Cb 0.00 0.00 -0.01 0.00 0.27 0.00 0.00 31.44 31.70 1sr2 n GLU 784 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 1sr2 s VAL 785 N -1.48 -0.95 0.37 6.31 -7.23 -1.25 -5.03 120.40 111.14 1sr2 s VAL 785 Ca 0.00 -0.13 0.35 0.00 -1.81 0.00 0.00 61.98 60.39 1sr2 s VAL 785 Cb 0.00 -0.05 0.38 0.00 0.56 0.00 0.00 36.38 37.27 1sr2 s VAL 785 CO 0.00 -0.04 2.13 0.06 -0.31 0.00 0.00 175.10 176.93 1sr2 h GLN 786 N 6.89 0.00 0.15 4.82 -0.00 -1.97 -1.68 115.11 123.31 1sr2 h GLN 786 Ca 0.05 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.69 1sr2 h GLN 786 Cb 1.17 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.65 1sr2 h GLN 786 CO 0.10 0.04 -0.07 1.25 -0.00 0.00 0.00 178.83 180.16 1sr2 h LEU 787 N 0.00 -0.16 -3.11 0.06 5.85 -1.95 -3.34 115.31 112.66 1sr2 h LEU 787 Ca -0.00 0.01 -0.25 0.00 0.84 0.00 0.00 57.88 58.47 1sr2 h LEU 787 Cb 0.31 0.04 -0.15 0.00 0.37 0.00 0.00 40.66 41.23 1sr2 h LEU 787 CO 0.01 -0.01 0.32 0.00 -0.34 0.00 0.00 178.44 178.41 1sr2 n ALA 788 N -2.26 4.20 -2.11 1.25 0.00 -1.21 -4.67 120.51 115.72 1sr2 n ALA 788 Ca -0.02 -1.68 -0.42 0.00 0.00 0.00 0.00 53.44 51.31 1sr2 n ALA 788 Cb 0.08 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.29 1sr2 n ALA 788 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1sr2 n GLN 789 N -0.32 3.01 -2.42 0.00 0.00 -0.64 -4.95 117.38 112.05 1sr2 n GLN 789 Ca 0.33 -2.90 -0.24 0.00 -0.00 0.00 0.00 57.00 54.18 1sr2 n GLN 789 Cb 1.15 -3.38 0.05 0.00 0.00 0.00 0.00 30.24 28.06 1sr2 n GLN 789 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.06 175.85 1sr2 s GLU 790 N 3.64 2.46 0.23 3.69 0.41 -1.26 -5.03 118.70 122.83 1sr2 s GLU 790 Ca 0.50 -0.43 0.11 0.00 -0.41 0.00 0.00 54.97 54.75 1sr2 s GLU 790 Cb 0.10 -2.32 -0.05 0.00 -1.78 0.00 0.00 34.13 30.08 1sr2 s GLU 790 CO -0.01 -0.93 -0.21 -2.00 -0.49 0.00 0.00 175.26 171.61 1sr2 s GLU 791 N -5.00 1.55 0.22 1.61 2.56 -1.26 -5.10 118.70 113.27 1sr2 s GLU 791 Ca 0.58 -1.62 -0.31 0.00 0.00 0.00 0.00 54.97 53.61 1sr2 s GLU 791 Cb -0.11 -1.71 -0.11 0.00 2.00 0.00 0.00 34.13 34.21 1sr2 s GLU 791 CO 0.42 0.34 1.63 0.14 -0.56 0.00 0.00 175.26 177.23 1sr2 s VAL 792 N -2.15 2.25 0.00 3.70 -7.23 -1.26 -5.01 120.40 110.70 1sr2 s VAL 792 Ca 0.24 0.19 0.00 0.00 -1.81 0.00 0.00 61.98 60.60 1sr2 s VAL 792 Cb -0.06 -3.12 0.00 0.00 0.56 0.00 0.00 36.38 33.76 1sr2 s VAL 792 CO 0.11 0.02 0.00 0.35 -0.31 0.00 0.00 175.10 175.27 1sr2 n THR 793 N 3.46 0.00 -1.75 5.32 -2.24 -1.26 -5.08 114.28 112.74 1sr2 n THR 793 Ca 0.13 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.61 1sr2 n THR 793 Cb 0.37 -1.38 0.05 0.00 -2.10 0.00 0.00 70.33 67.28 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 1.46 2.75 -0.37 -0.78 0.41 -1.26 -5.06 118.70 115.85 1sr2 s GLU 794 Ca 0.00 0.62 0.02 0.00 -0.41 0.00 0.00 54.97 55.20 1sr2 s GLU 794 Cb 0.00 -2.00 0.15 0.00 -1.78 0.00 0.00 34.13 30.51 1sr2 s GLU 794 CO 0.00 -1.15 0.33 -1.12 -0.49 0.00 0.00 175.26 172.83 1sr2 s SER 795 N -4.13 1.73 0.01 -0.19 0.01 -1.26 -5.05 113.70 104.82 1sr2 s SER 795 Ca 0.58 -1.86 -0.11 0.00 1.31 0.00 0.00 55.95 55.87 1sr2 s SER 795 Cb -0.12 0.22 -0.06 0.00 0.21 0.00 0.00 66.02 66.27 1sr2 s SER 795 CO 0.53 -0.27 1.00 -0.65 0.41 0.00 0.00 173.24 174.27 1sr2 h PRO 796 N 6.93 -0.38 0.00 12.44 0.11 -2.02 -3.48 132.00 145.61 1sr2 h PRO 796 Ca 0.07 0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.20 1sr2 h PRO 796 Cb 1.02 0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1sr2 h PRO 796 CO 0.22 -0.25 0.00 1.47 -0.21 0.00 0.00 178.00 179.23 1sr2 n LEU 797 N -3.19 0.00 0.00 2.35 -0.00 -1.26 -4.94 117.00 109.95 1sr2 n LEU 797 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.96 1sr2 n LEU 797 Cb 0.15 0.03 0.00 0.00 -0.00 0.00 0.00 43.42 43.61 1sr2 n LEU 797 CO 0.12 -0.03 0.00 0.61 -0.00 0.00 0.00 177.39 178.08 1sr2 n GLY 798 N -0.88 2.25 0.00 1.47 0.00 -1.26 -3.17 105.19 103.60 1sr2 n GLY 798 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 0.00 3.19 -0.02 0.00 -1.26 -5.00 105.19 102.10 1sr2 n GLY 799 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1sr2 n GLY 799 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1sr2 s ASP 800 N -0.66 6.28 0.23 1.61 1.47 -1.19 -4.89 116.67 119.51 1sr2 s ASP 800 Ca 0.00 -3.39 -0.06 0.00 1.18 0.00 0.00 52.55 50.27 1sr2 s ASP 800 Cb 0.00 -2.01 0.36 0.00 -0.34 0.00 0.00 42.92 40.93 1sr2 s ASP 800 CO 0.00 -0.30 1.77 1.05 0.68 0.00 0.00 175.17 178.37 1sr2 h GLU 801 N 6.60 0.56 -0.97 2.11 4.11 -1.95 -1.23 114.58 123.81 1sr2 h GLU 801 Ca 0.13 -0.03 0.14 0.00 0.07 0.00 0.00 59.36 59.66 1sr2 h GLU 801 Cb 0.88 -0.13 -0.08 0.00 0.50 0.00 0.00 28.75 29.93 1sr2 h GLU 801 CO 0.85 0.37 0.61 -0.97 0.07 0.00 0.00 179.01 179.94 1sr2 h ASN 802 N 0.57 0.81 -0.47 3.06 -1.24 -1.94 -0.18 115.58 116.20 1sr2 h ASN 802 Ca 0.36 0.05 -0.11 0.00 0.71 0.00 0.00 56.30 57.32 1sr2 h ASN 802 Cb 0.42 -0.11 -0.01 0.00 0.73 0.00 0.00 38.32 39.35 1sr2 h ASN 802 CO -0.29 0.40 -0.13 0.00 -1.29 0.00 0.00 177.43 176.13 1sr2 h ALA 803 N 1.58 0.65 -0.25 1.57 0.00 -1.62 0.13 119.26 121.31 1sr2 h ALA 803 Ca 0.50 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1sr2 h ALA 803 Cb 0.64 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1sr2 h ALA 803 CO -0.26 0.56 0.07 0.37 0.00 0.00 0.00 179.25 179.99 1sr2 h GLN 804 N 0.76 0.39 -0.07 0.00 -0.00 -1.06 -0.64 115.11 114.49 1sr2 h GLN 804 Ca 0.12 -0.09 -0.07 0.00 -0.00 0.00 0.00 58.65 58.61 1sr2 h GLN 804 Cb 0.68 -0.05 -0.01 0.00 0.00 0.00 0.00 27.48 28.09 1sr2 h GLN 804 CO 0.05 0.48 -0.26 1.25 0.00 0.00 0.00 178.83 180.35 1sr2 h LEU 805 N 0.23 0.12 0.06 -2.39 5.85 -0.94 -1.05 115.31 117.19 1sr2 h LEU 805 Ca 0.08 -0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.76 1sr2 h LEU 805 Cb 0.26 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.25 1sr2 h LEU 805 CO -0.00 0.39 -0.03 -0.74 -0.34 0.00 0.00 178.44 177.72 1sr2 h HIS 806 N 0.12 -0.07 0.00 1.25 2.76 -0.38 -2.91 115.15 115.92 1sr2 h HIS 806 Ca 0.02 -0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.16 1sr2 h HIS 806 Cb 0.53 0.02 -0.00 0.00 1.55 0.00 0.00 27.41 29.51 1sr2 h HIS 806 CO 0.00 0.13 -0.14 0.00 -1.30 0.00 0.00 177.93 176.62 1sr2 h ALA 807 N 0.66 1.48 0.00 5.26 0.00 -0.74 -0.36 119.26 125.55 1sr2 h ALA 807 Ca -0.01 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1sr2 h ALA 807 Cb 0.24 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1sr2 h ALA 807 CO 0.01 0.18 0.00 0.77 0.00 0.00 0.00 179.25 180.21 1sr2 h SER 808 N 0.00 0.00 0.00 0.00 0.02 -1.00 -3.46 113.55 109.11 1sr2 h SER 808 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1sr2 h SER 808 Cb 0.31 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.85 1sr2 h SER 808 CO 0.02 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.32 1sr2 n GLY 809 N -0.30 2.55 1.03 -3.77 0.00 -0.15 -4.86 105.19 99.69 1sr2 n GLY 809 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 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 0.52 0.09 1.61 4.02 -1.24 -3.90 117.16 116.26 1sr2 n TYR 810 Ca 0.00 -0.48 -0.03 0.00 -0.01 0.00 0.00 57.90 57.38 1sr2 n TYR 810 Cb 0.00 -0.29 0.18 0.00 -0.02 0.00 0.00 39.34 39.21 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 0.48 0.28 -0.57 -0.72 3.20 -1.83 -0.95 116.97 116.86 1sr2 h TYR 811 Ca 0.07 -0.09 -0.06 0.00 3.14 0.00 0.00 58.73 61.79 1sr2 h TYR 811 Cb 1.10 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 39.29 1sr2 h TYR 811 CO 0.27 0.69 0.12 0.00 -1.64 0.00 0.00 178.16 177.60 1sr2 h ALA 812 N 1.30 0.75 -0.52 1.82 0.00 -1.95 -1.53 119.26 119.13 1sr2 h ALA 812 Ca 0.01 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.61 1sr2 h ALA 812 Cb 0.95 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 1sr2 h ALA 812 CO 0.08 0.47 0.04 1.25 0.00 0.00 0.00 179.25 181.09 1sr2 h LEU 813 N 0.82 0.87 0.07 0.00 7.12 -1.81 -2.21 115.31 120.17 1sr2 h LEU 813 Ca 0.18 -0.29 0.02 0.00 0.13 0.00 0.00 57.88 57.92 1sr2 h LEU 813 Cb 0.37 -0.23 -0.03 0.00 -0.53 0.00 0.00 40.66 40.24 1sr2 h LEU 813 CO 0.01 0.94 -0.18 0.15 -0.13 0.00 0.00 178.44 179.23 1sr2 h PHE 814 N 0.77 -0.47 0.00 1.25 3.57 -0.85 -1.07 116.94 120.15 1sr2 h PHE 814 Ca 0.15 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.66 1sr2 h PHE 814 Cb 0.47 0.20 0.00 0.00 2.79 0.00 0.00 35.95 39.41 1sr2 h PHE 814 CO 0.03 -0.26 0.00 1.33 -2.23 0.00 0.00 178.31 177.18 1sr2 n VAL 815 N -5.31 0.02 -0.04 1.41 0.24 -0.60 -2.94 118.33 111.10 1sr2 n VAL 815 Ca -0.06 0.00 -0.04 0.00 -2.04 0.00 0.00 64.34 62.21 1sr2 n VAL 815 Cb 0.22 -0.53 -0.01 0.00 -1.47 0.00 0.00 33.84 32.05 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 -1.11 0.98 -0.01 -1.34 2.03 -0.70 -4.69 116.55 111.71 1sr2 n ASP 816 Ca 0.19 0.31 -0.08 0.00 0.52 0.00 0.00 54.79 55.74 1sr2 n ASP 816 Cb 0.16 -0.66 -0.13 0.00 -0.72 0.00 0.00 41.12 39.76 1sr2 n ASP 816 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1sr2 h THR 817 N -0.52 0.93 0.50 5.18 1.03 -1.37 -3.36 112.91 115.31 1sr2 h THR 817 Ca 0.00 -2.74 -0.02 0.00 -0.01 0.00 0.00 66.41 63.63 1sr2 h THR 817 Cb 0.39 2.45 0.00 0.00 -1.07 0.00 0.00 68.15 69.92 1sr2 h THR 817 CO 0.00 0.53 -0.24 0.58 -0.01 0.00 0.00 175.52 176.38 1sr2 h VAL 818 N 0.00 0.51 -0.96 0.00 2.07 -1.68 0.33 116.25 116.51 1sr2 h VAL 818 Ca -0.24 -0.01 0.05 0.00 0.82 0.00 0.00 66.70 67.33 1sr2 h VAL 818 Cb 1.95 0.51 -0.06 0.00 -1.52 0.00 0.00 31.29 32.17 1sr2 h VAL 818 CO 0.08 0.00 0.62 -0.65 0.02 0.00 0.00 177.57 177.65 1sr2 h PRO 819 N -0.68 1.13 -0.10 1.57 0.11 -1.76 -0.52 132.00 131.75 1sr2 h PRO 819 Ca -0.07 -0.07 -0.14 0.00 0.11 0.00 0.00 66.00 65.83 1sr2 h PRO 819 Cb 0.52 -0.26 0.01 0.00 0.11 0.00 0.00 31.00 31.38 1sr2 h PRO 819 CO 0.11 0.75 -0.49 0.22 -0.21 0.00 0.00 178.00 178.39 1sr2 h ASP 820 N 1.17 0.61 0.20 -2.05 3.58 -1.65 -1.56 116.42 116.72 1sr2 h ASP 820 Ca 0.40 -0.64 -0.09 0.00 0.42 0.00 0.00 57.03 57.12 1sr2 h ASP 820 Cb 0.09 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 40.95 1sr2 h ASP 820 CO -0.15 1.15 -0.34 0.44 -2.88 0.00 0.00 179.24 177.46 1sr2 h ASP 821 N 0.11 0.22 -0.57 2.28 3.32 -0.20 0.51 116.42 122.09 1sr2 h ASP 821 Ca -0.03 -0.08 -0.10 0.00 0.02 0.00 0.00 57.03 56.83 1sr2 h ASP 821 Cb 1.13 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 40.60 1sr2 h ASP 821 CO 0.10 0.56 -0.05 0.58 -1.72 0.00 0.00 179.24 178.71 1sr2 h VAL 822 N 0.19 1.27 -0.26 -1.35 2.07 -1.05 0.14 116.25 117.25 1sr2 h VAL 822 Ca 0.02 -1.20 -0.11 0.00 0.82 0.00 0.00 66.70 66.23 1sr2 h VAL 822 Cb 0.70 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 31.33 1sr2 h VAL 822 CO 0.05 0.43 -0.32 0.50 0.02 0.00 0.00 177.57 178.26 1sr2 h LYS 823 N 0.95 0.54 -0.34 1.57 3.11 -0.46 -1.64 116.57 120.30 1sr2 h LYS 823 Ca 0.16 -0.24 -0.00 0.00 -2.81 0.00 0.00 60.65 57.76 1sr2 h LYS 823 Cb 0.61 -0.02 -0.02 0.00 -1.00 0.00 0.00 32.23 31.81 1sr2 h LYS 823 CO 0.04 0.79 0.21 0.00 -2.81 0.00 0.00 179.45 177.68 1sr2 h ARG 824 N 0.46 0.46 -0.68 1.90 3.08 0.34 0.37 114.38 120.31 1sr2 h ARG 824 Ca 0.06 -0.04 0.09 0.00 0.07 0.00 0.00 59.98 60.16 1sr2 h ARG 824 Cb 0.78 -0.10 -0.07 0.00 0.08 0.00 0.00 29.97 30.66 1sr2 h ARG 824 CO 0.06 0.34 0.31 -0.07 -1.07 0.00 0.00 179.97 179.55 1sr2 h LEU 825 N 0.44 0.38 -0.53 3.04 3.38 -0.42 0.40 115.31 121.99 1sr2 h LEU 825 Ca 0.12 0.07 0.04 0.00 0.09 0.00 0.00 57.88 58.20 1sr2 h LEU 825 Cb 0.00 0.01 -0.04 0.00 0.09 0.00 0.00 40.66 40.72 1sr2 h LEU 825 CO -0.02 0.22 0.29 1.88 0.09 0.00 0.00 178.44 180.89 1sr2 h TYR 826 N 0.54 0.53 -0.30 1.13 0.05 -0.79 0.16 116.97 118.29 1sr2 h TYR 826 Ca 0.34 0.02 -0.04 0.00 0.05 0.00 0.00 58.73 59.10 1sr2 h TYR 826 Cb 0.38 -0.16 -0.01 0.00 1.01 0.00 0.00 36.73 37.94 1sr2 h TYR 826 CO -0.13 0.27 0.04 1.15 -1.05 0.00 0.00 178.16 178.45 1sr2 h THR 827 N 0.56 1.24 -0.01 -2.88 2.02 0.92 -1.83 112.91 112.94 1sr2 h THR 827 Ca 0.23 -0.82 -0.18 0.00 0.77 0.00 0.00 66.41 66.41 1sr2 h THR 827 Cb 0.11 1.19 -0.01 0.00 -1.74 0.00 0.00 68.15 67.69 1sr2 h THR 827 CO -0.14 0.27 -0.81 -0.33 0.37 0.00 0.00 175.52 174.88 1sr2 h GLU 828 N 0.32 0.17 -0.59 6.66 3.07 -0.15 -3.02 114.58 121.04 1sr2 h GLU 828 Ca 0.09 -0.17 -0.08 0.00 -0.50 0.00 0.00 59.36 58.70 1sr2 h GLU 828 Cb 0.35 0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 28.28 1sr2 h GLU 828 CO 0.01 0.89 0.04 0.00 -1.40 0.00 0.00 179.01 178.55 1sr2 h ALA 829 N 1.06 0.96 0.00 3.43 0.00 -0.58 0.96 119.26 125.08 1sr2 h ALA 829 Ca -0.03 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 1sr2 h ALA 829 Cb 1.41 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 1sr2 h ALA 829 CO 0.12 0.64 -0.05 0.00 0.00 0.00 0.00 179.25 179.96 1sr2 h ALA 830 N 1.11 1.23 -0.13 0.00 0.00 -1.20 -1.15 119.26 119.12 1sr2 h ALA 830 Ca 0.18 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1sr2 h ALA 830 Cb 0.48 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1sr2 h ALA 830 CO 0.02 0.06 0.00 2.41 0.00 0.00 0.00 179.25 181.74 1sr2 n THR 831 N -3.47 0.20 -3.41 0.00 -1.04 -0.93 -4.97 114.28 100.65 1sr2 n THR 831 Ca -0.02 -0.60 -0.24 0.00 -2.04 0.00 0.00 64.05 61.15 1sr2 n THR 831 Cb 0.17 1.19 0.06 0.00 -1.82 0.00 0.00 70.33 69.93 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 0.99 -6.22 -3.90 8.00 7.64 -0.37 -4.89 113.62 114.87 1sr2 n SER 832 Ca 0.12 -0.46 -0.42 0.00 1.01 0.00 0.00 58.87 59.11 1sr2 n SER 832 Cb 0.45 -4.94 0.00 0.00 -1.01 0.00 0.00 64.21 58.71 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 -2.83 4.67 0.27 6.43 -0.08 0.19 -4.75 116.55 120.45 1sr2 n ASP 833 Ca -0.03 -3.00 0.14 0.00 -1.51 0.00 0.00 54.79 50.39 1sr2 n ASP 833 Cb 0.58 -1.56 0.75 0.00 2.34 0.00 0.00 41.12 43.23 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 6.03 0.00 -0.48 -0.67 0.04 -1.90 0.19 116.94 120.14 1sr2 h PHE 834 Ca 0.45 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 61.18 1sr2 h PHE 834 Cb 0.66 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.79 1sr2 h PHE 834 CO 1.32 0.10 0.14 0.00 -0.60 0.00 0.00 178.31 179.27 1sr2 h ALA 835 N 1.90 0.64 -0.03 2.45 0.00 -1.98 0.96 119.26 123.18 1sr2 h ALA 835 Ca -0.00 -0.19 -0.18 0.00 0.00 0.00 0.00 54.91 54.54 1sr2 h ALA 835 Cb 0.33 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1sr2 h ALA 835 CO 0.01 0.31 -0.77 0.00 0.00 0.00 0.00 179.25 178.80 1sr2 h ALA 836 N 1.00 0.63 -0.82 0.00 0.00 -1.59 -2.17 119.26 116.31 1sr2 h ALA 836 Ca 0.15 -0.64 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 1sr2 h ALA 836 Cb 0.30 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 1sr2 h ALA 836 CO -0.00 0.82 0.46 -0.07 0.00 0.00 0.00 179.25 180.46 1sr2 h LEU 837 N 0.17 1.01 -0.72 0.00 4.07 -0.48 0.26 115.31 119.62 1sr2 h LEU 837 Ca -0.03 -0.08 -0.06 0.00 0.08 0.00 0.00 57.88 57.79 1sr2 h LEU 837 Cb 1.34 -0.26 -0.03 0.00 1.08 0.00 0.00 40.66 42.80 1sr2 h LEU 837 CO 0.12 0.80 0.22 0.00 -1.08 0.00 0.00 178.44 178.50 1sr2 h ALA 838 N 1.37 0.94 -0.22 1.53 0.00 -0.54 0.14 119.26 122.48 1sr2 h ALA 838 Ca 0.29 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1sr2 h ALA 838 Cb 0.01 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1sr2 h ALA 838 CO -0.05 0.63 0.11 1.96 0.00 0.00 0.00 179.25 181.89 1sr2 h GLN 839 N 1.06 0.31 -0.29 0.00 1.08 -0.66 -1.82 115.11 114.80 1sr2 h GLN 839 Ca 0.23 -0.05 -0.11 0.00 -1.45 0.00 0.00 58.65 57.28 1sr2 h GLN 839 Cb 0.32 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.67 1sr2 h GLN 839 CO -0.01 0.33 -0.27 1.79 -0.95 0.00 0.00 178.83 179.73 1sr2 h THR 840 N 0.22 1.27 -0.47 -0.54 1.35 -0.32 0.26 112.91 114.69 1sr2 h THR 840 Ca 0.07 -1.33 -0.01 0.00 -0.55 0.00 0.00 66.41 64.59 1sr2 h THR 840 Cb 0.12 1.34 -0.02 0.00 -1.73 0.00 0.00 68.15 67.86 1sr2 h THR 840 CO -0.01 0.43 0.24 0.00 -0.25 0.00 0.00 175.52 175.93 1sr2 h ALA 841 N 1.22 0.60 -0.37 6.62 0.00 -0.62 0.41 119.26 127.12 1sr2 h ALA 841 Ca 0.07 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 1sr2 h ALA 841 Cb 0.72 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1sr2 h ALA 841 CO 0.06 0.15 -0.01 1.25 0.00 0.00 0.00 179.25 180.70 1sr2 h HIS 842 N 0.61 0.72 -0.19 0.00 6.17 -1.03 0.68 115.15 122.12 1sr2 h HIS 842 Ca 0.16 -0.13 0.05 0.00 0.71 0.00 0.00 60.37 61.16 1sr2 h HIS 842 Cb 0.09 -0.19 -0.05 0.00 2.52 0.00 0.00 27.41 29.78 1sr2 h HIS 842 CO -0.01 0.76 -0.12 -0.09 0.71 0.00 0.00 177.93 179.17 1sr2 h ARG 843 N 0.48 -0.12 -0.18 5.26 2.43 -0.12 0.22 114.38 122.35 1sr2 h ARG 843 Ca 0.10 0.01 -0.18 0.00 -0.81 0.00 0.00 59.98 59.11 1sr2 h ARG 843 Cb 0.47 0.03 0.01 0.00 -0.42 0.00 0.00 29.97 30.05 1sr2 h ARG 843 CO 0.02 -0.08 -0.57 -0.07 -1.51 0.00 0.00 179.97 177.76 1sr2 h LEU 844 N -0.12 0.82 -0.91 3.80 3.38 -0.13 -1.15 115.31 120.99 1sr2 h LEU 844 Ca 0.11 -0.59 -0.00 0.00 0.09 0.00 0.00 57.88 57.49 1sr2 h LEU 844 Cb 0.29 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.75 1sr2 h LEU 844 CO -0.26 1.27 0.56 0.50 0.09 0.00 0.00 178.44 180.59 1sr2 h LYS 845 N 0.41 1.24 -0.08 1.13 3.64 -0.72 -0.25 116.57 121.93 1sr2 h LYS 845 Ca -0.02 -0.11 -0.02 0.00 -1.27 0.00 0.00 60.65 59.23 1sr2 h LYS 845 Cb 1.19 -0.26 -0.00 0.00 -0.41 0.00 0.00 32.23 32.75 1sr2 h LYS 845 CO 0.12 0.86 -0.02 0.78 -2.27 0.00 0.00 179.45 178.93 1sr2 h GLY 846 N 1.26 0.17 1.22 5.01 0.00 -0.40 -1.57 103.07 108.76 1sr2 h GLY 846 Ca 0.33 -0.14 -0.13 0.00 0.00 0.00 0.00 47.33 47.39 1sr2 h GLY 846 CO -0.06 0.13 -0.25 -0.39 0.00 0.00 0.00 176.54 175.96 1sr2 h VAL 847 N -0.16 1.27 -0.49 4.60 -1.51 -1.07 0.24 116.25 119.13 1sr2 h VAL 847 Ca 0.02 -1.40 -0.05 0.00 -1.23 0.00 0.00 66.70 64.04 1sr2 h VAL 847 Cb 0.41 1.22 -0.02 0.00 -2.13 0.00 0.00 31.29 30.77 1sr2 h VAL 847 CO 0.01 0.47 0.11 -0.26 -1.23 0.00 0.00 177.57 176.67 1sr2 h PHE 848 N 0.76 0.84 -0.44 5.19 -1.00 -1.08 0.22 116.94 121.43 1sr2 h PHE 848 Ca 0.09 -0.11 -0.05 0.00 2.81 0.00 0.00 57.97 60.72 1sr2 h PHE 848 Cb 0.81 -0.23 -0.02 0.00 3.61 0.00 0.00 35.95 40.11 1sr2 h PHE 848 CO 0.05 0.76 0.06 0.00 -1.61 0.00 0.00 178.31 177.57 1sr2 h ALA 849 N 0.98 1.30 -0.68 2.45 0.00 -1.10 0.43 119.26 122.64 1sr2 h ALA 849 Ca 0.15 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 1sr2 h ALA 849 Cb 0.35 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 1sr2 h ALA 849 CO 0.00 0.49 0.27 1.98 0.00 0.00 0.00 179.25 181.99 1sr2 h MET 850 N 0.65 1.01 0.00 0.00 1.85 0.25 -1.83 114.93 116.86 1sr2 h MET 850 Ca 0.14 -0.18 0.00 0.00 -0.61 0.00 0.00 59.70 59.05 1sr2 h MET 850 Cb 0.31 -0.16 0.00 0.00 0.43 0.00 0.00 31.60 32.18 1sr2 h MET 850 CO 0.00 0.84 -0.00 1.28 -0.40 0.00 0.00 176.91 178.63 1sr2 n LEU 851 N -4.39 0.03 -0.27 3.39 4.77 0.72 -4.89 117.00 116.34 1sr2 n LEU 851 Ca 0.05 0.50 -0.03 0.00 -0.03 0.00 0.00 56.01 56.50 1sr2 n LEU 851 Cb 0.17 -0.49 -0.01 0.00 -2.33 0.00 0.00 43.42 40.76 1sr2 n LEU 851 CO 0.40 -0.00 -0.03 0.59 -1.33 0.00 0.00 177.39 177.01 1sr2 n ASN 852 N -1.52 -2.77 -4.55 -1.43 3.02 0.28 -4.44 115.26 103.84 1sr2 n ASN 852 Ca 0.07 0.05 -0.42 0.00 -0.03 0.00 0.00 54.58 54.24 1sr2 n ASN 852 Cb 0.34 -1.13 -0.01 0.00 -0.61 0.00 0.00 39.78 38.37 1sr2 n ASN 852 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1sr2 s LEU 853 N -0.75 3.89 0.09 3.41 1.43 0.12 -4.88 118.68 121.99 1sr2 s LEU 853 Ca 0.00 -2.07 -0.34 0.00 -1.03 0.00 0.00 54.13 50.69 1sr2 s LEU 853 Cb 0.00 -2.55 -0.16 0.00 0.03 0.00 0.00 46.19 43.51 1sr2 s LEU 853 CO 0.00 -1.26 1.58 0.58 0.23 0.00 0.00 176.35 177.48 1sr2 h VAL 854 N 6.00 0.11 -0.98 -1.59 2.07 -1.93 0.23 116.25 120.16 1sr2 h VAL 854 Ca 0.32 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.85 1sr2 h VAL 854 Cb 0.94 0.11 -0.05 0.00 -1.52 0.00 0.00 31.29 30.77 1sr2 h VAL 854 CO 1.41 0.00 0.64 -0.65 0.02 0.00 0.00 177.57 178.98 1sr2 h PRO 855 N -0.92 1.30 -0.35 1.57 0.11 -1.98 0.24 132.00 131.96 1sr2 h PRO 855 Ca -0.05 -0.09 -0.04 0.00 0.11 0.00 0.00 66.00 65.94 1sr2 h PRO 855 Cb 0.81 -0.29 -0.01 0.00 0.11 0.00 0.00 31.00 31.61 1sr2 h PRO 855 CO -0.05 0.87 0.08 0.78 -0.21 0.00 0.00 178.00 179.47 1sr2 h GLY 856 N 1.33 0.61 1.46 -0.55 0.00 -1.91 -1.13 103.07 102.88 1sr2 h GLY 856 Ca 0.36 -0.39 -0.03 0.00 0.00 0.00 0.00 47.33 47.26 1sr2 h GLY 856 CO -0.08 0.36 0.15 1.70 0.00 0.00 0.00 176.54 178.68 1sr2 h LYS 857 N 0.41 0.69 -0.56 4.80 3.64 -0.13 -1.40 116.57 124.03 1sr2 h LYS 857 Ca 0.11 -0.11 -0.04 0.00 -1.27 0.00 0.00 60.65 59.33 1sr2 h LYS 857 Cb 0.32 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 31.99 1sr2 h LYS 857 CO 0.00 0.60 0.17 0.37 -2.27 0.00 0.00 179.45 178.32 1sr2 h GLN 858 N 0.68 0.85 -0.34 1.90 -0.00 -0.61 0.17 115.11 117.76 1sr2 h GLN 858 Ca 0.16 -0.16 -0.02 0.00 -0.00 0.00 0.00 58.65 58.64 1sr2 h GLN 858 Cb 0.19 -0.14 -0.02 0.00 0.00 0.00 0.00 27.48 27.52 1sr2 h GLN 858 CO -0.01 0.74 0.15 -0.07 0.00 0.00 0.00 178.83 179.64 1sr2 h LEU 859 N 0.83 0.46 -1.03 -2.39 3.38 -0.19 -1.12 115.31 115.25 1sr2 h LEU 859 Ca 0.19 -0.14 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 1sr2 h LEU 859 Cb 0.25 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 1sr2 h LEU 859 CO -0.01 0.47 0.03 0.00 0.09 0.00 0.00 178.44 179.03 1sr2 h GLU 861 N 0.69 -0.18 0.00 0.00 4.39 -0.36 0.17 114.58 119.28 1sr2 h GLU 861 Ca 0.14 0.01 -0.08 0.00 0.34 0.00 0.00 59.36 59.77 1sr2 h GLU 861 Cb 0.38 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.06 1sr2 h GLU 861 CO 0.01 -0.12 -0.39 1.15 -1.16 0.00 0.00 179.01 178.50 1sr2 h THR 862 N -0.19 1.16 -0.08 1.13 2.02 -0.95 -1.77 112.91 114.24 1sr2 h THR 862 Ca 0.00 -1.41 -0.00 0.00 0.77 0.00 0.00 66.41 65.78 1sr2 h THR 862 Cb 0.18 1.78 -0.00 0.00 -1.74 0.00 0.00 68.15 68.38 1sr2 h THR 862 CO -0.03 0.39 0.04 0.25 0.37 0.00 0.00 175.52 176.54 1sr2 h LEU 863 N 0.00 0.10 -0.77 2.58 6.46 -0.16 0.91 115.31 124.43 1sr2 h LEU 863 Ca -0.00 -0.10 0.14 0.00 -0.12 0.00 0.00 57.88 57.79 1sr2 h LEU 863 Cb 0.75 -0.02 -0.09 0.00 -0.73 0.00 0.00 40.66 40.57 1sr2 h LEU 863 CO 0.05 0.17 0.33 -0.08 -0.62 0.00 0.00 178.44 178.30 1sr2 h GLU 864 N 0.01 0.47 -0.16 1.25 4.81 -0.25 0.14 114.58 120.85 1sr2 h GLU 864 Ca 0.03 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1sr2 h GLU 864 Cb 0.10 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 1sr2 h GLU 864 CO -0.00 0.31 0.08 1.25 -0.73 0.00 0.00 179.01 179.92 1sr2 h HIS 865 N 0.49 0.23 0.00 0.92 2.76 -0.94 -0.33 115.15 118.27 1sr2 h HIS 865 Ca 0.42 -0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.55 1sr2 h HIS 865 Cb 0.61 -0.07 -0.00 0.00 1.55 0.00 0.00 27.41 29.50 1sr2 h HIS 865 CO -0.15 0.25 -0.16 -0.07 -1.30 0.00 0.00 177.93 176.50 1sr2 h LEU 866 N 0.14 0.00 -0.15 0.26 3.38 0.22 -0.30 115.31 118.86 1sr2 h LEU 866 Ca 0.06 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.79 1sr2 h LEU 866 Cb 0.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1sr2 h LEU 866 CO -0.01 0.16 -0.97 0.40 0.09 0.00 0.00 178.44 178.12 1sr2 h ILE 867 N 0.00 1.40 -0.25 1.22 2.04 -0.41 0.29 117.51 121.80 1sr2 h ILE 867 Ca -0.00 -2.48 -0.09 0.00 1.00 0.00 0.00 64.86 63.29 1sr2 h ILE 867 Cb 0.33 2.46 -0.01 0.00 -0.74 0.00 0.00 36.82 38.85 1sr2 h ILE 867 CO 0.02 0.74 -0.21 0.08 0.00 0.00 0.00 178.15 178.78 1sr2 h ARG 868 N 0.22 0.46 -0.00 2.37 -0.00 -0.10 -1.83 114.38 115.50 1sr2 h ARG 868 Ca -0.09 -0.16 0.00 0.00 -0.00 0.00 0.00 59.98 59.74 1sr2 h ARG 868 Cb 1.61 -0.04 0.00 0.00 -0.00 0.00 0.00 29.97 31.55 1sr2 h ARG 868 CO 0.17 0.65 -0.13 0.39 -0.00 0.00 0.00 179.97 181.04 1sr2 n GLU 869 N -4.15 0.21 -3.50 0.08 -0.58 -0.22 -4.93 120.64 107.55 1sr2 n GLU 869 Ca -0.00 -0.05 -0.22 0.00 -0.42 0.00 0.00 57.16 56.47 1sr2 n GLU 869 Cb 0.38 -1.50 0.07 0.00 -0.57 0.00 0.00 31.44 29.82 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 -1.35 -7.31 -3.20 3.49 4.76 -0.57 -4.94 118.16 109.03 1sr2 n LYS 870 Ca 0.09 0.76 -0.45 0.00 -2.87 0.00 0.00 58.31 55.85 1sr2 n LYS 870 Cb 0.31 -5.62 -0.00 0.00 -1.84 0.00 0.00 35.03 27.88 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 -3.34 7.18 0.17 4.39 -1.08 -0.02 -4.91 116.67 119.06 1sr2 s ASP 871 Ca 0.52 -3.29 -0.20 0.00 -0.52 0.00 0.00 52.55 49.06 1sr2 s ASP 871 Cb -0.23 -2.27 0.09 0.00 -1.46 0.00 0.00 42.92 39.05 1sr2 s ASP 871 CO 0.67 -0.48 1.62 0.58 0.52 0.00 0.00 175.17 178.09 1sr2 h VAL 872 N 4.13 0.35 -0.79 1.11 2.07 -1.92 0.22 116.25 121.43 1sr2 h VAL 872 Ca 0.21 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.83 1sr2 h VAL 872 Cb 0.89 0.35 -0.07 0.00 -1.52 0.00 0.00 31.29 30.94 1sr2 h VAL 872 CO 1.07 0.00 0.43 1.55 0.02 0.00 0.00 177.57 180.64 1sr2 h PRO 873 N -0.17 0.69 -0.45 1.57 0.13 -1.98 0.98 132.00 132.77 1sr2 h PRO 873 Ca 0.19 -0.04 -0.10 0.00 -0.87 0.00 0.00 66.00 65.18 1sr2 h PRO 873 Cb 0.47 -0.16 -0.01 0.00 0.13 0.00 0.00 31.00 31.43 1sr2 h PRO 873 CO -0.50 0.46 -0.11 0.78 -0.23 0.00 0.00 178.00 178.40 1sr2 h GLY 874 N 0.71 0.94 0.70 1.56 0.00 -1.67 -1.74 103.07 103.57 1sr2 h GLY 874 Ca 0.39 -0.78 0.03 0.00 0.00 0.00 0.00 47.33 46.97 1sr2 h GLY 874 CO -0.26 0.71 -0.03 -2.22 0.00 0.00 0.00 176.54 174.73 1sr2 h ILE 875 N 0.71 0.85 -0.52 2.60 2.04 0.09 -1.08 117.51 122.20 1sr2 h ILE 875 Ca 0.11 -0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.03 1sr2 h ILE 875 Cb 0.65 0.84 -0.05 0.00 -0.74 0.00 0.00 36.82 37.53 1sr2 h ILE 875 CO 0.04 0.00 0.23 -0.33 0.00 0.00 0.00 178.15 178.10 1sr2 h GLU 876 N 0.01 0.44 -0.89 2.37 5.08 -0.72 0.80 114.58 121.66 1sr2 h GLU 876 Ca 0.07 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1sr2 h GLU 876 Cb 0.11 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.22 1sr2 h GLU 876 CO -0.16 0.29 0.56 -0.22 -1.00 0.00 0.00 179.01 178.49 1sr2 h LYS 877 N 0.45 1.20 -0.00 2.33 3.11 -0.95 -1.89 116.57 120.82 1sr2 h LYS 877 Ca 0.24 -0.09 -0.18 0.00 -2.81 0.00 0.00 60.65 57.80 1sr2 h LYS 877 Cb 0.20 -0.26 -0.01 0.00 -1.00 0.00 0.00 32.23 31.16 1sr2 h LYS 877 CO -0.20 0.82 -0.83 1.88 -2.81 0.00 0.00 179.45 178.30 1sr2 h TYR 878 N 1.22 0.21 -0.65 1.91 -1.99 -0.34 0.63 116.97 117.97 1sr2 h TYR 878 Ca 0.32 -0.11 -0.01 0.00 2.00 0.00 0.00 58.73 60.93 1sr2 h TYR 878 Cb -0.09 -0.03 -0.03 0.00 2.00 0.00 0.00 36.73 38.58 1sr2 h TYR 878 CO -0.00 0.91 0.38 0.82 -0.00 0.00 0.00 178.16 180.26 1sr2 h ILE 879 N 0.08 1.20 0.00 -2.88 2.04 -0.59 0.11 117.51 117.47 1sr2 h ILE 879 Ca -0.03 -0.46 -0.06 0.00 1.00 0.00 0.00 64.86 65.30 1sr2 h ILE 879 Cb 1.45 0.33 -0.01 0.00 -0.74 0.00 0.00 36.82 37.84 1sr2 h ILE 879 CO 0.12 0.21 -0.30 0.28 0.00 0.00 0.00 178.15 178.46 1sr2 h SER 880 N 0.88 0.00 -0.14 1.72 0.02 -1.10 -0.44 113.55 114.50 1sr2 h SER 880 Ca 0.23 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 61.04 1sr2 h SER 880 Cb 0.01 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.54 1sr2 h SER 880 CO -0.04 0.30 -0.39 0.44 -1.14 0.00 0.00 176.83 176.00 1sr2 h ASP 881 N 0.00 0.70 0.22 3.07 3.32 0.20 0.30 116.42 124.22 1sr2 h ASP 881 Ca -0.00 -0.31 -0.12 0.00 0.02 0.00 0.00 57.03 56.62 1sr2 h ASP 881 Cb 0.59 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.93 1sr2 h ASP 881 CO 0.04 1.01 -0.44 0.40 -1.72 0.00 0.00 179.24 178.53 1sr2 h ILE 882 N 0.55 1.32 -0.17 0.35 2.04 -0.37 -1.25 117.51 119.98 1sr2 h ILE 882 Ca 0.05 -1.60 -0.15 0.00 1.00 0.00 0.00 64.86 64.17 1sr2 h ILE 882 Cb 0.91 1.72 0.00 0.00 -0.74 0.00 0.00 36.82 38.71 1sr2 h ILE 882 CO 0.08 0.48 -0.46 -0.78 0.00 0.00 0.00 178.15 177.47 1sr2 h ASP 883 N 0.23 0.71 -0.51 1.72 1.82 -0.59 -2.02 116.42 117.77 1sr2 h ASP 883 Ca 0.02 -0.58 -0.08 0.00 -0.39 0.00 0.00 57.03 56.00 1sr2 h ASP 883 Cb 0.87 -0.21 -0.02 0.00 0.68 0.00 0.00 39.33 40.65 1sr2 h ASP 883 CO 0.07 1.16 0.03 0.77 -1.61 0.00 0.00 179.24 179.66 1sr2 h SER 884 N 0.29 0.89 -0.16 2.28 4.64 -0.40 0.12 113.55 121.21 1sr2 h SER 884 Ca -0.01 -0.22 0.04 0.00 -0.47 0.00 0.00 61.79 61.13 1sr2 h SER 884 Cb 1.08 -0.24 -0.07 0.00 -0.31 0.00 0.00 62.40 62.86 1sr2 h SER 884 CO 0.10 0.94 -0.45 0.22 -0.87 0.00 0.00 176.83 176.77 1sr2 h TYR 885 N 0.86 -1.31 -0.02 4.77 3.20 -1.07 -1.90 116.97 121.51 1sr2 h TYR 885 Ca 0.16 0.05 -0.09 0.00 3.14 0.00 0.00 58.73 62.00 1sr2 h TYR 885 Cb 0.47 0.59 -0.01 0.00 1.54 0.00 0.00 36.73 39.33 1sr2 h TYR 885 CO 0.03 -0.49 -0.42 -0.24 -1.64 0.00 0.00 178.16 175.40 1sr2 h VAL 886 N -0.49 1.31 -0.32 1.81 3.04 -1.05 -1.39 116.25 119.16 1sr2 h VAL 886 Ca 0.07 -1.47 0.05 0.00 -1.01 0.00 0.00 66.70 64.34 1sr2 h VAL 886 Cb 0.64 1.76 -0.04 0.00 -2.01 0.00 0.00 31.29 31.64 1sr2 h VAL 886 CO -0.43 0.42 0.06 0.11 -1.01 0.00 0.00 177.57 176.72 1sr2 h LYS 887 N 0.04 0.17 0.00 4.17 1.79 -0.20 -1.96 116.57 120.58 1sr2 h LYS 887 Ca 0.00 -0.01 -0.11 0.00 -2.18 0.00 0.00 60.65 58.35 1sr2 h LYS 887 Cb 0.76 -0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 31.36 1sr2 h LYS 887 CO 0.06 0.11 -0.51 0.66 -1.08 0.00 0.00 179.45 178.69 1sr2 h SER 888 N 0.17 0.00 -0.16 0.86 4.64 -1.00 -3.30 113.55 114.77 1sr2 h SER 888 Ca 0.15 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.41 1sr2 h SER 888 Cb 0.16 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.25 1sr2 h SER 888 CO -0.20 0.51 -0.12 -0.07 -0.87 0.00 0.00 176.83 176.08 1sr2 h LEU 889 N 0.00 0.38 -1.58 5.97 4.07 -0.93 -3.52 115.31 119.70 1sr2 h LEU 889 Ca -0.01 -0.46 0.00 0.00 0.08 0.00 0.00 57.88 57.50 1sr2 h LEU 889 Cb 1.29 -0.11 0.00 0.00 1.08 0.00 0.00 40.66 42.93 1sr2 h LEU 889 CO 0.07 0.76 0.00 0.00 -1.08 0.00 0.00 178.44 178.18