#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sr2 h GLN 776 N 0.00 -0.29 0.00 0.03 1.08 -2.06 -2.98 115.11 110.88 1sr2 h GLN 776 Ca 0.00 0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.22 1sr2 h GLN 776 Cb 0.00 0.07 0.00 0.00 -0.05 0.00 0.00 27.48 27.50 1sr2 h GLN 776 CO 0.00 -0.05 -0.06 0.93 -0.95 0.00 0.00 178.83 178.70 1sr2 h GLU 777 N -0.49 0.00 -3.44 1.46 4.39 -2.12 -3.42 114.58 110.96 1sr2 h GLU 777 Ca -0.03 0.00 -0.78 0.00 0.34 0.00 0.00 59.36 58.89 1sr2 h GLU 777 Cb 0.37 0.00 -0.29 0.00 -0.10 0.00 0.00 28.75 28.73 1sr2 h GLU 777 CO 0.05 0.00 0.40 0.00 -1.16 0.00 0.00 179.01 178.30 1sr2 n ALA 778 N -2.38 4.27 -1.00 3.43 0.00 -1.26 -4.92 120.51 118.64 1sr2 n ALA 778 Ca -0.01 -4.67 0.00 0.00 0.00 0.00 0.00 53.44 48.76 1sr2 n ALA 778 Cb 0.03 -2.31 0.00 0.00 0.00 0.00 0.00 19.45 17.17 1sr2 n ALA 778 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1sr2 n VAL 779 N 2.45 0.00 -2.55 0.00 0.31 -1.13 -4.18 118.33 113.24 1sr2 n VAL 779 Ca 0.24 0.80 0.00 0.00 -0.01 0.00 0.00 64.34 65.37 1sr2 n VAL 779 Cb 0.38 -1.74 0.00 0.00 -0.91 0.00 0.00 33.84 31.57 1sr2 n VAL 779 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1sr2 n LEU 780 N -0.33 0.00 -4.93 7.52 -0.00 -1.26 -4.78 117.00 113.22 1sr2 n LEU 780 Ca 0.00 0.00 -0.26 0.00 -0.00 0.00 0.00 56.01 55.75 1sr2 n LEU 780 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 43.40 1sr2 n LEU 780 CO 0.00 0.00 0.09 -1.10 -0.00 0.00 0.00 177.39 176.38 1sr2 s GLN 781 N 0.95 3.51 0.00 1.47 -1.52 -1.26 -5.09 119.66 117.73 1sr2 s GLN 781 Ca 0.00 -0.34 0.00 0.00 -1.95 0.00 0.00 55.36 53.07 1sr2 s GLN 781 Cb 0.00 -2.76 0.00 0.00 -0.22 0.00 0.00 33.01 30.03 1sr2 s GLN 781 CO 0.00 0.30 0.00 1.47 -0.25 0.00 0.00 175.29 176.81 1sr2 n LEU 782 N -1.16 0.00 0.00 2.90 -0.00 -1.26 -4.96 117.00 112.52 1sr2 n LEU 782 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.96 1sr2 n LEU 782 Cb 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.97 1sr2 n LEU 782 CO 0.48 0.00 0.00 -0.38 -0.00 0.00 0.00 177.39 177.49 1sr2 n ILE 783 N 0.00 0.00 0.00 1.47 -0.00 -1.26 -5.08 119.36 114.49 1sr2 n ILE 783 Ca 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 62.75 62.78 1sr2 n ILE 783 Cb 0.00 -0.57 0.00 0.00 -0.00 0.00 0.00 39.64 39.07 1sr2 n ILE 783 CO 0.00 0.00 0.00 -1.84 -0.00 0.00 0.00 176.55 174.71 1sr2 n GLU 784 N -1.08 0.00 -0.02 0.38 0.28 -1.26 -5.01 120.64 113.93 1sr2 n GLU 784 Ca 0.00 0.00 -0.03 0.00 -0.16 0.00 0.00 57.16 56.97 1sr2 n GLU 784 Cb 0.00 0.00 -0.01 0.00 1.43 0.00 0.00 31.44 32.86 1sr2 n GLU 784 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 177.13 178.30 1sr2 n VAL 785 N 0.00 0.20 0.00 3.84 0.24 -1.26 -5.03 118.33 116.32 1sr2 n VAL 785 Ca 0.00 -0.07 0.00 0.00 -2.04 0.00 0.00 64.34 62.23 1sr2 n VAL 785 Cb 0.00 -0.96 0.00 0.00 -1.47 0.00 0.00 33.84 31.41 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 -2.81 0.00 -2.53 7.34 6.02 -1.26 -2.64 117.38 121.50 1sr2 n GLN 786 Ca -0.06 0.00 -0.11 0.00 -0.01 0.00 0.00 57.00 56.81 1sr2 n GLN 786 Cb 0.56 0.00 0.03 0.00 1.02 0.00 0.00 30.24 31.85 1sr2 n GLN 786 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1sr2 n LEU 787 N 0.00 2.87 -0.54 1.08 4.77 -1.26 -4.77 117.00 119.15 1sr2 n LEU 787 Ca 0.00 -3.88 0.06 0.00 -0.03 0.00 0.00 56.01 52.16 1sr2 n LEU 787 Cb 0.00 0.13 0.11 0.00 -2.33 0.00 0.00 43.42 41.33 1sr2 n LEU 787 CO 0.00 1.56 0.36 0.00 -1.33 0.00 0.00 177.39 177.98 1sr2 n ALA 788 N -0.53 2.58 -3.69 -1.18 0.00 -1.08 -4.98 120.51 111.62 1sr2 n ALA 788 Ca 0.22 -2.39 -0.27 0.00 0.00 0.00 0.00 53.44 50.99 1sr2 n ALA 788 Cb 0.84 -0.46 -0.17 0.00 0.00 0.00 0.00 19.45 19.66 1sr2 n ALA 788 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1sr2 s GLN 789 N -1.85 0.47 0.00 0.00 2.00 -1.26 -5.02 119.66 114.00 1sr2 s GLN 789 Ca 0.27 -0.35 0.00 0.00 -2.00 0.00 0.00 55.36 53.28 1sr2 s GLN 789 Cb 0.26 -2.00 0.00 0.00 0.80 0.00 0.00 33.01 32.07 1sr2 s GLN 789 CO -0.04 -0.67 0.00 0.39 -0.50 0.00 0.00 175.29 174.47 1sr2 n GLU 790 N 5.12 3.50 -4.25 1.67 -0.58 -1.26 -5.10 120.64 119.74 1sr2 n GLU 790 Ca -0.08 0.00 -0.21 0.00 -0.42 0.00 0.00 57.16 56.45 1sr2 n GLU 790 Cb 0.47 0.00 -0.07 0.00 -0.57 0.00 0.00 31.44 31.27 1sr2 n GLU 790 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1sr2 n GLU 791 N -0.00 0.45 0.00 3.49 -0.58 -1.26 -5.18 120.64 117.56 1sr2 n GLU 791 Ca 0.00 -3.32 0.00 0.00 -0.42 0.00 0.00 57.16 53.42 1sr2 n GLU 791 Cb 0.00 2.45 0.00 0.00 -0.57 0.00 0.00 31.44 33.32 1sr2 n GLU 791 CO 0.00 0.00 0.00 1.33 -0.48 0.00 0.00 177.13 177.98 1sr2 n VAL 792 N -0.71 0.00 -3.75 2.62 0.24 -1.26 -5.12 118.33 110.36 1sr2 n VAL 792 Ca 0.04 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.21 1sr2 n VAL 792 Cb 0.60 0.00 -0.12 0.00 -1.47 0.00 0.00 33.84 32.84 1sr2 n VAL 792 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1sr2 s THR 793 N 0.88 -0.02 0.00 3.34 2.01 -1.26 -5.16 115.64 115.43 1sr2 s THR 793 Ca 0.00 0.09 0.00 0.00 0.31 0.00 0.00 61.69 62.09 1sr2 s THR 793 Cb 0.00 -0.37 0.00 0.00 0.01 0.00 0.00 72.50 72.14 1sr2 s THR 793 CO 0.00 0.04 0.00 -1.84 -0.69 0.00 0.00 174.62 172.13 1sr2 n GLU 794 N 3.72 1.10 0.00 4.92 -0.00 -1.26 -5.03 120.64 124.09 1sr2 n GLU 794 Ca -0.20 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 56.96 1sr2 n GLU 794 Cb 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.99 1sr2 n GLU 794 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.13 177.56 1sr2 n SER 795 N 0.00 0.00 -4.70 -1.84 7.64 -1.26 -5.03 113.62 108.43 1sr2 n SER 795 Ca 0.00 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.46 1sr2 n SER 795 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 1sr2 n SER 795 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1sr2 s PRO 796 N 0.00 4.34 0.06 1.43 0.04 -1.26 -4.91 135.00 134.70 1sr2 s PRO 796 Ca 0.00 1.83 0.00 0.00 0.04 0.00 0.00 61.00 62.88 1sr2 s PRO 796 Cb 0.00 -3.50 -0.26 0.00 0.04 0.00 0.00 34.50 30.79 1sr2 s PRO 796 CO 0.00 -0.46 1.07 -0.07 0.04 0.00 0.00 177.00 177.58 1sr2 h LEU 797 N 7.86 0.26 0.00 -3.56 4.07 -2.04 -3.48 115.31 118.43 1sr2 h LEU 797 Ca -0.38 -0.31 0.00 0.00 0.08 0.00 0.00 57.88 57.27 1sr2 h LEU 797 Cb 1.18 -0.09 0.00 0.00 1.08 0.00 0.00 40.66 42.84 1sr2 h LEU 797 CO 0.87 1.25 0.00 0.61 -1.08 0.00 0.00 178.44 180.10 1sr2 n GLY 798 N 1.52 1.89 0.00 0.83 0.00 -1.26 -4.79 105.19 103.38 1sr2 n GLY 798 Ca -0.09 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.87 3.63 -0.02 0.00 -1.26 -5.04 105.19 101.63 1sr2 n GLY 799 Ca 0.00 -0.06 -0.23 0.00 0.00 0.00 0.00 46.02 45.73 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 -4.01 -0.01 1.61 2.03 -1.26 -4.86 116.55 110.04 1sr2 n ASP 800 Ca 0.00 -0.66 -0.09 0.00 0.52 0.00 0.00 54.79 54.56 1sr2 n ASP 800 Cb 0.00 -4.68 -0.03 0.00 -0.72 0.00 0.00 41.12 35.69 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 -2.23 -0.06 -0.25 -0.67 3.07 -1.97 -0.04 114.58 112.42 1sr2 h GLU 801 Ca -0.58 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.28 1sr2 h GLU 801 Cb 1.36 0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 29.27 1sr2 h GLU 801 CO 0.57 -0.04 0.15 -0.97 -1.40 0.00 0.00 179.01 177.31 1sr2 h ASN 802 N -0.06 0.31 -0.30 1.42 -0.73 -1.91 0.22 115.58 114.54 1sr2 h ASN 802 Ca 0.08 -0.06 -0.08 0.00 1.87 0.00 0.00 56.30 58.12 1sr2 h ASN 802 Cb 0.19 -0.08 -0.01 0.00 0.27 0.00 0.00 38.32 38.69 1sr2 h ASN 802 CO -0.19 0.28 -0.12 0.00 -0.37 0.00 0.00 177.43 177.03 1sr2 h ALA 803 N 1.04 0.41 -0.33 1.57 0.00 -1.88 -1.32 119.26 118.77 1sr2 h ALA 803 Ca 0.09 -0.31 -0.07 0.00 0.00 0.00 0.00 54.91 54.62 1sr2 h ALA 803 Cb 0.03 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1sr2 h ALA 803 CO -0.02 0.28 -0.08 1.96 0.00 0.00 0.00 179.25 181.39 1sr2 h GLN 804 N 0.35 0.54 -0.25 0.00 4.20 -0.90 0.18 115.11 119.24 1sr2 h GLN 804 Ca 0.07 -0.15 -0.09 0.00 0.06 0.00 0.00 58.65 58.55 1sr2 h GLN 804 Cb 0.62 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.33 1sr2 h GLN 804 CO 0.04 0.63 -0.21 1.25 -0.67 0.00 0.00 178.83 179.86 1sr2 h LEU 805 N 0.51 0.44 -0.15 1.46 5.85 -0.72 -1.32 115.31 121.38 1sr2 h LEU 805 Ca 0.10 -0.14 -0.12 0.00 0.84 0.00 0.00 57.88 58.56 1sr2 h LEU 805 Cb 0.46 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.37 1sr2 h LEU 805 CO 0.02 0.67 -0.39 -0.74 -0.34 0.00 0.00 178.44 177.66 1sr2 h HIS 806 N 0.40 0.69 -0.46 1.25 2.76 -0.39 -2.57 115.15 116.82 1sr2 h HIS 806 Ca 0.07 -0.27 -0.03 0.00 -2.20 0.00 0.00 60.37 57.94 1sr2 h HIS 806 Cb 0.60 -0.12 -0.02 0.00 1.55 0.00 0.00 27.41 29.42 1sr2 h HIS 806 CO 0.02 1.01 0.15 0.00 -1.30 0.00 0.00 177.93 177.81 1sr2 h ALA 807 N 0.55 1.41 0.00 5.26 0.00 -0.39 -1.51 119.26 124.58 1sr2 h ALA 807 Ca -0.01 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1sr2 h ALA 807 Cb 1.00 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1sr2 h ALA 807 CO 0.08 0.44 0.00 0.66 0.00 0.00 0.00 179.25 180.44 1sr2 h SER 808 N 0.66 0.00 0.00 0.00 4.64 -1.31 -3.46 113.55 114.07 1sr2 h SER 808 Ca 0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 1sr2 h SER 808 Cb 0.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 1sr2 h SER 808 CO -0.01 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.56 1sr2 n GLY 809 N 0.26 1.47 0.07 -0.77 0.00 -0.57 -4.86 105.19 100.80 1sr2 n GLY 809 Ca 0.02 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.19 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 -0.32 1.61 4.02 -1.22 -3.40 117.16 115.86 1sr2 n TYR 810 Ca 0.00 0.00 0.08 0.00 -0.01 0.00 0.00 57.90 57.97 1sr2 n TYR 810 Cb 0.00 -0.03 0.24 0.00 -0.02 0.00 0.00 39.34 39.53 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 0.36 0.89 -0.52 -0.72 5.03 -1.73 0.30 116.97 120.57 1sr2 h TYR 811 Ca 0.00 0.03 0.02 0.00 2.58 0.00 0.00 58.73 61.37 1sr2 h TYR 811 Cb 0.11 -0.26 -0.03 0.00 1.55 0.00 0.00 36.73 38.09 1sr2 h TYR 811 CO 0.00 0.25 0.32 0.00 -1.32 0.00 0.00 178.16 177.40 1sr2 h ALA 812 N 1.56 0.67 -0.37 1.82 0.00 -1.88 -0.83 119.26 120.22 1sr2 h ALA 812 Ca 0.48 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.31 1sr2 h ALA 812 Cb 0.65 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1sr2 h ALA 812 CO -0.34 0.03 -0.03 -0.07 0.00 0.00 0.00 179.25 178.84 1sr2 h LEU 813 N 0.63 0.67 -0.12 0.00 3.38 -1.57 -2.00 115.31 116.30 1sr2 h LEU 813 Ca 0.21 -0.33 0.04 0.00 0.09 0.00 0.00 57.88 57.89 1sr2 h LEU 813 Cb 0.01 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.54 1sr2 h LEU 813 CO -0.09 0.84 -0.13 0.15 0.09 0.00 0.00 178.44 179.30 1sr2 h PHE 814 N 0.49 -0.32 0.00 1.13 3.57 -0.46 -2.03 116.94 119.32 1sr2 h PHE 814 Ca 0.10 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.62 1sr2 h PHE 814 Cb 0.51 0.16 0.00 0.00 2.79 0.00 0.00 35.95 39.41 1sr2 h PHE 814 CO 0.04 -0.19 -0.06 1.33 -2.23 0.00 0.00 178.31 177.20 1sr2 n VAL 815 N -5.27 0.02 -0.01 1.41 0.24 -0.36 -2.89 118.33 111.47 1sr2 n VAL 815 Ca -0.03 -0.01 -0.01 0.00 -2.04 0.00 0.00 64.34 62.25 1sr2 n VAL 815 Cb 0.19 -0.42 -0.00 0.00 -1.47 0.00 0.00 33.84 32.14 1sr2 n VAL 815 CO 0.00 0.00 0.00 -0.78 -2.14 0.00 0.00 176.83 173.91 1sr2 h ASP 816 N 0.00 -0.05 0.01 -1.34 3.58 -0.64 -3.42 116.42 114.55 1sr2 h ASP 816 Ca 0.00 0.00 -0.20 0.00 0.42 0.00 0.00 57.03 57.25 1sr2 h ASP 816 Cb 0.51 0.01 -0.03 0.00 1.72 0.00 0.00 39.33 41.54 1sr2 h ASP 816 CO 0.00 0.27 -1.11 0.00 -2.88 0.00 0.00 179.24 175.52 1sr2 h THR 817 N -0.68 1.03 0.18 2.25 1.03 -1.60 -3.40 112.91 111.72 1sr2 h THR 817 Ca -0.01 -2.21 0.01 0.00 -0.01 0.00 0.00 66.41 64.19 1sr2 h THR 817 Cb 0.05 2.40 -0.04 0.00 -1.07 0.00 0.00 68.15 69.48 1sr2 h THR 817 CO 0.01 0.37 -0.49 0.58 -0.01 0.00 0.00 175.52 175.98 1sr2 h VAL 818 N -0.96 0.05 -0.37 0.00 2.07 -1.71 0.25 116.25 115.58 1sr2 h VAL 818 Ca -0.30 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.25 1sr2 h VAL 818 Cb 1.29 0.05 -0.04 0.00 -1.52 0.00 0.00 31.29 31.07 1sr2 h VAL 818 CO -0.17 0.00 0.15 -0.65 0.02 0.00 0.00 177.57 176.92 1sr2 h PRO 819 N -0.77 0.31 0.00 1.57 0.11 -1.81 0.67 132.00 132.09 1sr2 h PRO 819 Ca -0.01 -0.02 -0.12 0.00 0.11 0.00 0.00 66.00 65.97 1sr2 h PRO 819 Cb 0.76 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 31.78 1sr2 h PRO 819 CO -0.24 0.21 -0.57 0.22 -0.21 0.00 0.00 178.00 177.41 1sr2 h ASP 820 N 0.32 0.00 0.46 -2.05 3.58 -1.71 -2.13 116.42 114.89 1sr2 h ASP 820 Ca 0.16 0.00 -0.13 0.00 0.42 0.00 0.00 57.03 57.48 1sr2 h ASP 820 Cb 0.11 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.15 1sr2 h ASP 820 CO -0.14 0.57 -0.59 0.44 -2.88 0.00 0.00 179.24 176.64 1sr2 h ASP 821 N 0.00 0.14 -0.49 2.28 3.32 0.13 0.16 116.42 121.96 1sr2 h ASP 821 Ca -0.01 -0.08 -0.03 0.00 0.02 0.00 0.00 57.03 56.93 1sr2 h ASP 821 Cb 1.02 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 40.51 1sr2 h ASP 821 CO 0.07 0.70 0.18 0.58 -1.72 0.00 0.00 179.24 179.06 1sr2 h VAL 822 N 0.10 1.22 -0.86 -1.35 2.07 -0.39 0.57 116.25 117.61 1sr2 h VAL 822 Ca -0.00 -0.69 0.01 0.00 0.82 0.00 0.00 66.70 66.84 1sr2 h VAL 822 Cb 1.06 0.74 -0.04 0.00 -1.52 0.00 0.00 31.29 31.53 1sr2 h VAL 822 CO 0.08 0.26 0.57 0.11 0.02 0.00 0.00 177.57 178.61 1sr2 h LYS 823 N 0.66 1.12 -0.42 1.57 1.57 -1.08 0.10 116.57 120.09 1sr2 h LYS 823 Ca 0.16 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.85 1sr2 h LYS 823 Cb 0.22 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 1sr2 h LYS 823 CO -0.01 0.74 0.18 -0.09 -0.57 0.00 0.00 179.45 179.70 1sr2 h ARG 824 N 1.16 0.62 -0.54 3.15 9.65 -0.41 -1.12 114.38 126.88 1sr2 h ARG 824 Ca 0.32 -0.11 0.06 0.00 -1.10 0.00 0.00 59.98 59.15 1sr2 h ARG 824 Cb -0.11 -0.10 -0.05 0.00 -1.39 0.00 0.00 29.97 28.31 1sr2 h ARG 824 CO -0.08 0.56 0.25 -0.07 2.80 0.00 0.00 179.97 183.44 1sr2 h LEU 825 N 0.53 0.33 -1.27 3.80 3.38 0.65 0.56 115.31 123.28 1sr2 h LEU 825 Ca 0.14 0.04 0.04 0.00 0.09 0.00 0.00 57.88 58.20 1sr2 h LEU 825 Cb 0.17 -0.01 -0.05 0.00 0.09 0.00 0.00 40.66 40.86 1sr2 h LEU 825 CO -0.01 0.22 0.52 1.88 0.09 0.00 0.00 178.44 181.14 1sr2 h TYR 826 N 0.48 0.91 -0.25 1.13 0.05 -0.68 0.23 116.97 118.83 1sr2 h TYR 826 Ca 0.25 0.02 -0.05 0.00 0.05 0.00 0.00 58.73 59.00 1sr2 h TYR 826 Cb 0.20 -0.30 -0.01 0.00 1.01 0.00 0.00 36.73 37.63 1sr2 h TYR 826 CO -0.12 0.52 -0.04 1.15 -1.05 0.00 0.00 178.16 178.62 1sr2 h THR 827 N 0.93 1.27 0.00 -2.88 2.02 0.21 -1.34 112.91 113.12 1sr2 h THR 827 Ca 0.32 -1.01 -0.10 0.00 0.77 0.00 0.00 66.41 66.38 1sr2 h THR 827 Cb 0.10 1.43 -0.01 0.00 -1.74 0.00 0.00 68.15 67.93 1sr2 h THR 827 CO -0.10 0.32 -0.50 -0.33 0.37 0.00 0.00 175.52 175.28 1sr2 h GLU 828 N 0.22 0.00 -0.31 6.66 4.39 -0.55 -2.54 114.58 122.44 1sr2 h GLU 828 Ca 0.07 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.67 1sr2 h GLU 828 Cb 0.49 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.12 1sr2 h GLU 828 CO 0.02 0.50 -0.22 0.00 -1.16 0.00 0.00 179.01 178.15 1sr2 h ALA 829 N 1.50 1.03 -0.17 3.43 0.00 -0.38 0.68 119.26 125.34 1sr2 h ALA 829 Ca -0.00 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.53 1sr2 h ALA 829 Cb 1.03 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 1sr2 h ALA 829 CO 0.06 0.58 -0.03 0.00 0.00 0.00 0.00 179.25 179.87 1sr2 h ALA 830 N 1.23 1.63 -0.01 0.00 0.00 -0.82 -1.08 119.26 120.21 1sr2 h ALA 830 Ca 0.08 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1sr2 h ALA 830 Cb 0.67 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1sr2 h ALA 830 CO 0.05 0.28 -0.22 0.25 0.00 0.00 0.00 179.25 179.61 1sr2 n THR 831 N -4.36 0.00 -2.33 0.00 -2.24 -0.96 -4.92 114.28 99.47 1sr2 n THR 831 Ca -0.00 -0.08 -0.17 0.00 -2.27 0.00 0.00 64.05 61.53 1sr2 n THR 831 Cb 0.20 0.16 -0.01 0.00 -2.10 0.00 0.00 70.33 68.58 1sr2 n THR 831 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1sr2 n SER 832 N -0.89 -4.91 -4.12 3.42 7.64 -0.41 -4.91 113.62 109.44 1sr2 n SER 832 Ca 0.12 -0.02 -0.43 0.00 1.01 0.00 0.00 58.87 59.55 1sr2 n SER 832 Cb 0.32 -4.01 0.00 0.00 -1.01 0.00 0.00 64.21 59.51 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 -1.18 4.72 0.22 6.43 -0.08 0.14 -4.76 116.55 122.04 1sr2 n ASP 833 Ca -0.19 -2.96 0.10 0.00 -1.51 0.00 0.00 54.79 50.23 1sr2 n ASP 833 Cb 0.65 -1.62 0.66 0.00 2.34 0.00 0.00 41.12 43.15 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 6.55 0.00 -0.73 -0.67 0.04 -1.91 0.30 116.94 120.53 1sr2 h PHE 834 Ca 0.45 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 61.16 1sr2 h PHE 834 Cb 0.74 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.86 1sr2 h PHE 834 CO 1.33 0.00 0.24 0.00 -0.60 0.00 0.00 178.31 179.28 1sr2 h ALA 835 N 1.95 1.06 -0.01 2.45 0.00 -1.97 0.80 119.26 123.54 1sr2 h ALA 835 Ca 0.04 -0.21 -0.23 0.00 0.00 0.00 0.00 54.91 54.51 1sr2 h ALA 835 Cb 0.17 -0.28 0.01 0.00 0.00 0.00 0.00 17.79 17.69 1sr2 h ALA 835 CO -0.00 0.64 -0.95 0.00 0.00 0.00 0.00 179.25 178.94 1sr2 h ALA 836 N 1.19 0.32 -0.17 0.00 0.00 -1.50 -2.10 119.26 117.00 1sr2 h ALA 836 Ca 0.24 -0.70 0.03 0.00 0.00 0.00 0.00 54.91 54.48 1sr2 h ALA 836 Cb 0.27 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1sr2 h ALA 836 CO -0.01 0.78 -0.04 -0.07 0.00 0.00 0.00 179.25 179.90 1sr2 h LEU 837 N 0.28 -0.16 -0.55 0.00 4.07 -0.74 -0.74 115.31 117.47 1sr2 h LEU 837 Ca -0.09 0.05 0.00 0.00 0.08 0.00 0.00 57.88 57.92 1sr2 h LEU 837 Cb 1.59 0.10 -0.03 0.00 1.08 0.00 0.00 40.66 43.40 1sr2 h LEU 837 CO 0.17 -0.06 0.35 0.00 -1.08 0.00 0.00 178.44 177.83 1sr2 h ALA 838 N 1.17 0.70 -0.23 1.53 0.00 -0.79 0.27 119.26 121.91 1sr2 h ALA 838 Ca 0.08 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1sr2 h ALA 838 Cb 0.12 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1sr2 h ALA 838 CO -0.17 0.15 0.15 1.96 0.00 0.00 0.00 179.25 181.34 1sr2 h GLN 839 N 0.74 0.31 -0.44 0.00 1.08 -1.09 0.23 115.11 115.95 1sr2 h GLN 839 Ca 0.20 -0.02 -0.14 0.00 -1.45 0.00 0.00 58.65 57.24 1sr2 h GLN 839 Cb -0.06 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.29 1sr2 h GLN 839 CO -0.04 0.22 -0.28 1.15 -0.95 0.00 0.00 178.83 178.93 1sr2 h THR 840 N 0.30 1.27 -0.61 -0.54 2.02 -0.88 -1.99 112.91 112.47 1sr2 h THR 840 Ca 0.08 -1.44 -0.04 0.00 0.77 0.00 0.00 66.41 65.79 1sr2 h THR 840 Cb -0.02 1.22 -0.03 0.00 -1.74 0.00 0.00 68.15 67.59 1sr2 h THR 840 CO -0.02 0.49 0.24 0.00 0.37 0.00 0.00 175.52 176.60 1sr2 h ALA 841 N 0.87 1.27 -0.17 6.16 0.00 -0.26 0.50 119.26 127.63 1sr2 h ALA 841 Ca 0.09 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 54.87 1sr2 h ALA 841 Cb 0.85 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 1sr2 h ALA 841 CO 0.08 0.54 -0.03 0.45 0.00 0.00 0.00 179.25 180.29 1sr2 h HIS 842 N 0.88 -0.06 -0.72 0.00 -0.00 -0.19 0.36 115.15 115.42 1sr2 h HIS 842 Ca 0.21 0.01 -0.05 0.00 -0.00 0.00 0.00 60.37 60.54 1sr2 h HIS 842 Cb 0.18 0.05 -0.03 0.00 -0.00 0.00 0.00 27.41 27.61 1sr2 h HIS 842 CO 0.01 -0.06 0.25 -0.09 -0.00 0.00 0.00 177.93 178.05 1sr2 h ARG 843 N 0.02 1.10 -0.34 2.45 2.43 -0.79 -1.74 114.38 117.51 1sr2 h ARG 843 Ca 0.08 -0.22 -0.15 0.00 -0.81 0.00 0.00 59.98 58.88 1sr2 h ARG 843 Cb 0.11 -0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 29.49 1sr2 h ARG 843 CO -0.16 0.93 -0.36 -0.07 -1.51 0.00 0.00 179.97 178.80 1sr2 h LEU 844 N 1.05 0.90 -1.34 3.80 3.38 -0.57 -1.65 115.31 120.88 1sr2 h LEU 844 Ca 0.24 -0.47 -0.05 0.00 0.09 0.00 0.00 57.88 57.68 1sr2 h LEU 844 Cb 0.27 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1sr2 h LEU 844 CO -0.01 1.20 -0.09 0.07 0.09 0.00 0.00 178.44 179.69 1sr2 h LYS 845 N 0.63 0.33 -0.17 1.13 2.10 -0.20 -1.57 116.57 118.82 1sr2 h LYS 845 Ca 0.05 -0.07 -0.05 0.00 -2.00 0.00 0.00 60.65 58.58 1sr2 h LYS 845 Cb 0.95 -0.05 -0.00 0.00 -0.90 0.00 0.00 32.23 32.23 1sr2 h LYS 845 CO 0.09 0.43 -0.08 0.78 -2.00 0.00 0.00 179.45 178.67 1sr2 h GLY 846 N 0.77 0.39 1.42 0.07 0.00 -1.01 -1.61 103.07 103.09 1sr2 h GLY 846 Ca 0.06 -0.34 -0.13 0.00 0.00 0.00 0.00 47.33 46.92 1sr2 h GLY 846 CO 0.02 0.31 -0.37 -0.39 0.00 0.00 0.00 176.54 176.11 1sr2 h VAL 847 N 0.04 1.29 -0.24 4.60 -1.51 -1.07 0.19 116.25 119.56 1sr2 h VAL 847 Ca 0.04 -1.52 -0.20 0.00 -1.23 0.00 0.00 66.70 63.79 1sr2 h VAL 847 Cb 0.55 1.47 0.00 0.00 -2.13 0.00 0.00 31.29 31.18 1sr2 h VAL 847 CO 0.02 0.49 -0.64 -0.26 -1.23 0.00 0.00 177.57 175.95 1sr2 h PHE 848 N 0.54 1.09 -0.43 5.19 0.04 -1.34 0.00 116.94 122.04 1sr2 h PHE 848 Ca 0.05 -0.43 -0.08 0.00 2.80 0.00 0.00 57.97 60.31 1sr2 h PHE 848 Cb 0.88 -0.19 -0.02 0.00 2.20 0.00 0.00 35.95 38.82 1sr2 h PHE 848 CO 0.04 1.26 -0.07 0.00 -0.60 0.00 0.00 178.31 178.94 1sr2 h ALA 849 N 0.64 1.08 -0.68 2.45 0.00 -1.16 0.14 119.26 121.73 1sr2 h ALA 849 Ca -0.01 -0.29 -0.07 0.00 0.00 0.00 0.00 54.91 54.54 1sr2 h ALA 849 Cb 1.26 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.84 1sr2 h ALA 849 CO 0.14 0.57 0.14 1.98 0.00 0.00 0.00 179.25 182.07 1sr2 h MET 850 N 0.68 1.10 0.00 0.00 1.85 -0.43 -1.94 114.93 116.18 1sr2 h MET 850 Ca 0.12 -0.28 0.00 0.00 -0.61 0.00 0.00 59.70 58.93 1sr2 h MET 850 Cb 0.52 -0.14 0.00 0.00 0.43 0.00 0.00 31.60 32.42 1sr2 h MET 850 CO 0.03 1.00 0.00 1.28 -0.40 0.00 0.00 176.91 178.82 1sr2 n LEU 851 N -4.24 0.00 0.00 3.39 4.77 -0.03 -4.89 117.00 116.01 1sr2 n LEU 851 Ca 0.04 0.49 0.00 0.00 -0.03 0.00 0.00 56.01 56.52 1sr2 n LEU 851 Cb 0.28 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 40.87 1sr2 n LEU 851 CO 0.43 -0.03 0.00 -3.20 -1.33 0.00 0.00 177.39 173.25 1sr2 n ASN 852 N -1.49 -2.33 -4.56 -1.43 5.15 0.37 -4.93 115.26 106.03 1sr2 n ASN 852 Ca 0.07 0.00 -0.26 0.00 -0.60 0.00 0.00 54.58 53.78 1sr2 n ASN 852 Cb 0.31 -0.78 -0.05 0.00 -0.53 0.00 0.00 39.78 38.74 1sr2 n ASN 852 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1sr2 s LEU 853 N 0.00 3.14 0.08 1.20 1.02 -0.40 -4.86 118.68 118.86 1sr2 s LEU 853 Ca 0.00 -0.08 -0.36 0.00 0.02 0.00 0.00 54.13 53.71 1sr2 s LEU 853 Cb 0.00 -2.54 -0.18 0.00 0.02 0.00 0.00 46.19 43.49 1sr2 s LEU 853 CO 0.00 -3.00 1.55 0.58 0.02 0.00 0.00 176.35 175.51 1sr2 h VAL 854 N 7.36 0.00 -0.84 -1.59 2.07 -1.92 0.77 116.25 122.10 1sr2 h VAL 854 Ca -0.04 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.57 1sr2 h VAL 854 Cb 1.07 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.77 1sr2 h VAL 854 CO 1.15 0.00 0.49 1.55 0.02 0.00 0.00 177.57 180.78 1sr2 h PRO 855 N -1.08 0.83 -0.27 1.57 0.13 -1.98 0.38 132.00 131.57 1sr2 h PRO 855 Ca -0.08 -0.05 -0.02 0.00 -0.87 0.00 0.00 66.00 64.98 1sr2 h PRO 855 Cb 0.91 -0.19 -0.01 0.00 0.13 0.00 0.00 31.00 31.84 1sr2 h PRO 855 CO 0.00 0.55 0.09 0.78 -0.23 0.00 0.00 178.00 179.18 1sr2 h GLY 856 N 0.85 0.46 1.31 1.56 0.00 -1.91 -0.56 103.07 104.78 1sr2 h GLY 856 Ca 0.39 -0.27 -0.11 0.00 0.00 0.00 0.00 47.33 47.33 1sr2 h GLY 856 CO -0.22 0.26 -0.20 1.70 0.00 0.00 0.00 176.54 178.07 1sr2 h LYS 857 N 0.28 0.79 -0.57 4.80 3.11 -0.24 -1.97 116.57 122.78 1sr2 h LYS 857 Ca 0.09 -0.31 -0.01 0.00 -2.81 0.00 0.00 60.65 57.60 1sr2 h LYS 857 Cb 0.24 -0.04 -0.03 0.00 -1.00 0.00 0.00 32.23 31.40 1sr2 h LYS 857 CO -0.00 0.93 0.31 0.37 -2.81 0.00 0.00 179.45 178.24 1sr2 h GLN 858 N 0.70 0.78 -0.05 1.90 5.75 -0.13 0.79 115.11 124.84 1sr2 h GLN 858 Ca 0.10 -0.08 -0.00 0.00 -0.15 0.00 0.00 58.65 58.52 1sr2 h GLN 858 Cb 0.72 -0.16 -0.00 0.00 1.07 0.00 0.00 27.48 29.11 1sr2 h GLN 858 CO 0.06 0.58 0.02 -0.07 -2.65 0.00 0.00 178.83 176.77 1sr2 h LEU 859 N 0.79 0.06 -0.62 -2.39 3.38 -0.39 -0.64 115.31 115.50 1sr2 h LEU 859 Ca 0.20 -0.11 -0.15 0.00 0.09 0.00 0.00 57.88 57.91 1sr2 h LEU 859 Cb 0.03 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1sr2 h LEU 859 CO -0.03 0.16 -0.53 0.00 0.09 0.00 0.00 178.44 178.13 1sr2 h GLU 861 N 0.35 0.49 -0.48 0.00 4.39 -0.78 0.14 114.58 118.69 1sr2 h GLU 861 Ca 0.01 -0.10 -0.07 0.00 0.34 0.00 0.00 59.36 59.53 1sr2 h GLU 861 Cb 1.04 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.59 1sr2 h GLU 861 CO 0.09 0.53 0.00 1.15 -1.16 0.00 0.00 179.01 179.62 1sr2 h THR 862 N 0.35 1.24 -0.66 1.13 2.02 -1.01 -1.90 112.91 114.09 1sr2 h THR 862 Ca 0.10 -1.01 0.00 0.00 0.77 0.00 0.00 66.41 66.28 1sr2 h THR 862 Cb 0.24 0.87 -0.03 0.00 -1.74 0.00 0.00 68.15 67.49 1sr2 h THR 862 CO -0.00 0.36 0.42 0.25 0.37 0.00 0.00 175.52 176.92 1sr2 h LEU 863 N 0.75 0.77 -0.51 2.58 6.46 -0.55 0.21 115.31 125.02 1sr2 h LEU 863 Ca 0.15 -0.03 0.04 0.00 -0.12 0.00 0.00 57.88 57.92 1sr2 h LEU 863 Cb 0.45 -0.19 -0.04 0.00 -0.73 0.00 0.00 40.66 40.15 1sr2 h LEU 863 CO 0.02 0.57 0.26 -0.33 -0.62 0.00 0.00 178.44 178.34 1sr2 h GLU 864 N 0.89 0.49 -0.26 1.25 5.08 -0.30 0.26 114.58 122.00 1sr2 h GLU 864 Ca 0.24 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.51 1sr2 h GLU 864 Cb -0.08 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.05 1sr2 h GLU 864 CO -0.05 0.32 -0.09 1.25 -1.00 0.00 0.00 179.01 179.44 1sr2 h HIS 865 N 0.50 0.44 -0.44 4.33 2.76 -0.75 0.13 115.15 122.12 1sr2 h HIS 865 Ca 0.22 -0.05 -0.15 0.00 -2.20 0.00 0.00 60.37 58.19 1sr2 h HIS 865 Cb 0.13 -0.12 -0.01 0.00 1.55 0.00 0.00 27.41 28.96 1sr2 h HIS 865 CO -0.10 0.51 -0.29 -0.07 -1.30 0.00 0.00 177.93 176.67 1sr2 h LEU 866 N 0.39 1.02 -0.29 0.26 3.38 0.63 -0.96 115.31 119.75 1sr2 h LEU 866 Ca 0.08 -0.43 -0.06 0.00 0.09 0.00 0.00 57.88 57.56 1sr2 h LEU 866 Cb 0.41 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1sr2 h LEU 866 CO 0.02 1.23 -0.05 0.40 0.09 0.00 0.00 178.44 180.13 1sr2 h ILE 867 N 0.82 1.27 -0.43 1.22 2.04 -0.07 0.23 117.51 122.59 1sr2 h ILE 867 Ca 0.09 -1.05 -0.02 0.00 1.00 0.00 0.00 64.86 64.87 1sr2 h ILE 867 Cb 0.88 1.37 -0.02 0.00 -0.74 0.00 0.00 36.82 38.31 1sr2 h ILE 867 CO 0.08 0.34 0.17 0.08 0.00 0.00 0.00 178.15 178.82 1sr2 h ARG 868 N 0.32 0.61 -0.01 2.37 -0.00 -0.69 -1.45 114.38 115.52 1sr2 h ARG 868 Ca 0.08 -0.08 0.00 0.00 -0.00 0.00 0.00 59.98 59.98 1sr2 h ARG 868 Cb 0.52 -0.11 0.00 0.00 -0.00 0.00 0.00 29.97 30.37 1sr2 h ARG 868 CO 0.02 0.51 -0.03 0.39 -0.00 0.00 0.00 179.97 180.87 1sr2 n GLU 869 N -4.37 1.60 -3.78 0.08 -0.58 -0.37 -4.94 120.64 108.29 1sr2 n GLU 869 Ca 0.03 -0.94 -0.26 0.00 -0.42 0.00 0.00 57.16 55.57 1sr2 n GLU 869 Cb 0.15 -1.48 0.04 0.00 -0.57 0.00 0.00 31.44 29.58 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 0.12 -5.93 -3.02 3.49 4.01 -0.32 -4.91 118.16 111.60 1sr2 n LYS 870 Ca 0.18 0.66 -0.44 0.00 -0.51 0.00 0.00 58.31 58.20 1sr2 n LYS 870 Cb 0.36 -5.52 -0.00 0.00 -0.51 0.00 0.00 35.03 29.36 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 -3.62 7.13 0.15 4.39 -1.08 0.64 -4.89 116.67 119.39 1sr2 s ASP 871 Ca 0.46 -3.12 -0.18 0.00 -0.52 0.00 0.00 52.55 49.19 1sr2 s ASP 871 Cb -0.22 -2.37 0.05 0.00 -1.46 0.00 0.00 42.92 38.92 1sr2 s ASP 871 CO 0.80 -0.66 1.68 0.58 0.52 0.00 0.00 175.17 178.09 1sr2 h VAL 872 N 4.46 0.66 -0.73 1.11 2.07 -1.91 0.16 116.25 122.07 1sr2 h VAL 872 Ca 0.29 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.87 1sr2 h VAL 872 Cb 0.87 0.66 -0.06 0.00 -1.52 0.00 0.00 31.29 31.24 1sr2 h VAL 872 CO 1.21 0.00 0.42 1.55 0.02 0.00 0.00 177.57 180.77 1sr2 h PRO 873 N -0.01 0.76 -0.46 1.57 0.13 -1.98 0.17 132.00 132.17 1sr2 h PRO 873 Ca 0.16 -0.05 -0.03 0.00 -0.87 0.00 0.00 66.00 65.21 1sr2 h PRO 873 Cb 0.25 -0.17 -0.02 0.00 0.13 0.00 0.00 31.00 31.19 1sr2 h PRO 873 CO -0.34 0.50 0.16 0.78 -0.23 0.00 0.00 178.00 178.86 1sr2 h GLY 874 N 0.78 0.76 0.57 1.56 0.00 -1.76 -1.80 103.07 103.19 1sr2 h GLY 874 Ca 0.32 -0.44 0.04 0.00 0.00 0.00 0.00 47.33 47.25 1sr2 h GLY 874 CO -0.18 0.41 -0.08 -2.22 0.00 0.00 0.00 176.54 174.47 1sr2 h ILE 875 N 0.61 0.74 -0.33 2.60 2.04 -0.21 -0.63 117.51 122.33 1sr2 h ILE 875 Ca 0.15 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.07 1sr2 h ILE 875 Cb 0.25 0.74 -0.06 0.00 -0.74 0.00 0.00 36.82 37.00 1sr2 h ILE 875 CO -0.01 0.00 -0.05 -0.33 0.00 0.00 0.00 178.15 177.76 1sr2 h GLU 876 N -0.07 0.03 -0.81 2.37 5.08 -0.79 0.17 114.58 120.57 1sr2 h GLU 876 Ca 0.09 -0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.41 1sr2 h GLU 876 Cb 0.20 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.41 1sr2 h GLU 876 CO -0.21 0.02 0.37 -0.22 -1.00 0.00 0.00 179.01 177.97 1sr2 h LYS 877 N 0.03 1.18 0.00 2.33 3.64 -1.01 -2.12 116.57 120.62 1sr2 h LYS 877 Ca 0.16 -0.19 -0.19 0.00 -1.27 0.00 0.00 60.65 59.16 1sr2 h LYS 877 Cb 0.24 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 1sr2 h LYS 877 CO -0.31 0.92 -0.85 1.88 -2.27 0.00 0.00 179.45 178.82 1sr2 h TYR 878 N 1.16 0.23 -0.04 1.91 -1.99 -0.42 0.52 116.97 118.33 1sr2 h TYR 878 Ca 0.28 -0.12 0.00 0.00 2.00 0.00 0.00 58.73 60.88 1sr2 h TYR 878 Cb 0.15 -0.03 -0.00 0.00 2.00 0.00 0.00 36.73 38.85 1sr2 h TYR 878 CO 0.02 0.93 0.03 0.82 -0.00 0.00 0.00 178.16 179.95 1sr2 h ILE 879 N 0.08 1.02 0.00 -2.88 1.08 -0.42 0.89 117.51 117.29 1sr2 h ILE 879 Ca -0.03 -0.04 -0.09 0.00 -0.39 0.00 0.00 64.86 64.31 1sr2 h ILE 879 Cb 1.48 0.97 -0.01 0.00 -3.07 0.00 0.00 36.82 36.19 1sr2 h ILE 879 CO 0.13 0.02 -0.41 0.77 -0.69 0.00 0.00 178.15 177.96 1sr2 h SER 880 N 0.05 0.00 0.03 1.72 4.64 -1.31 -1.07 113.55 117.61 1sr2 h SER 880 Ca 0.01 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.21 1sr2 h SER 880 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 1sr2 h SER 880 CO -0.00 0.41 -0.39 0.44 -0.87 0.00 0.00 176.83 176.41 1sr2 h ASP 881 N 0.00 0.50 0.25 4.97 5.19 -0.48 0.23 116.42 127.07 1sr2 h ASP 881 Ca -0.00 -0.21 -0.14 0.00 -0.62 0.00 0.00 57.03 56.05 1sr2 h ASP 881 Cb 0.78 -0.14 -0.01 0.00 0.18 0.00 0.00 39.33 40.14 1sr2 h ASP 881 CO 0.05 0.84 -0.54 0.40 -3.12 0.00 0.00 179.24 176.87 1sr2 h ILE 882 N 0.39 1.35 -0.17 0.35 2.04 -0.38 -0.37 117.51 120.73 1sr2 h ILE 882 Ca 0.04 -1.83 -0.07 0.00 1.00 0.00 0.00 64.86 64.00 1sr2 h ILE 882 Cb 0.87 1.87 -0.00 0.00 -0.74 0.00 0.00 36.82 38.81 1sr2 h ILE 882 CO 0.07 0.55 -0.17 -0.78 0.00 0.00 0.00 178.15 177.82 1sr2 h ASP 883 N 0.25 0.44 0.07 1.72 3.58 -0.69 -1.09 116.42 120.70 1sr2 h ASP 883 Ca 0.00 -0.48 -0.07 0.00 0.42 0.00 0.00 57.03 56.90 1sr2 h ASP 883 Cb 1.03 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 41.95 1sr2 h ASP 883 CO 0.09 0.84 -0.23 0.77 -2.88 0.00 0.00 179.24 177.82 1sr2 h SER 884 N 0.06 0.28 0.60 2.28 4.64 -0.57 0.30 113.55 121.14 1sr2 h SER 884 Ca 0.03 -0.08 -0.02 0.00 -0.47 0.00 0.00 61.79 61.24 1sr2 h SER 884 Cb 0.71 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.72 1sr2 h SER 884 CO 0.04 0.52 -0.42 0.22 -0.87 0.00 0.00 176.83 176.33 1sr2 h TYR 885 N 0.26 -1.12 -0.39 4.77 3.20 -0.75 -1.22 116.97 121.72 1sr2 h TYR 885 Ca 0.04 -0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.83 1sr2 h TYR 885 Cb 0.55 0.41 -0.02 0.00 1.54 0.00 0.00 36.73 39.22 1sr2 h TYR 885 CO 0.01 -0.61 -0.09 0.28 -1.64 0.00 0.00 178.16 176.11 1sr2 h VAL 886 N -0.98 1.24 -0.54 1.81 2.07 -1.00 0.38 116.25 119.23 1sr2 h VAL 886 Ca -0.07 -1.06 0.06 0.00 0.82 0.00 0.00 66.70 66.44 1sr2 h VAL 886 Cb 0.81 1.04 -0.05 0.00 -1.52 0.00 0.00 31.29 31.57 1sr2 h VAL 886 CO 0.04 0.36 0.25 0.11 0.02 0.00 0.00 177.57 178.35 1sr2 h LYS 887 N 0.61 0.47 0.00 1.57 1.57 -0.23 -1.68 116.57 118.88 1sr2 h LYS 887 Ca 0.11 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1sr2 h LYS 887 Cb 0.51 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.72 1sr2 h LYS 887 CO 0.03 0.31 -0.25 0.77 -0.57 0.00 0.00 179.45 179.74 1sr2 h SER 888 N 0.48 0.00 0.54 0.86 0.02 -0.70 -3.22 113.55 111.53 1sr2 h SER 888 Ca 0.25 -0.07 -0.21 0.00 -0.84 0.00 0.00 61.79 60.92 1sr2 h SER 888 Cb 0.20 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.73 1sr2 h SER 888 CO -0.20 0.04 -0.91 -0.07 -1.14 0.00 0.00 176.83 174.55 1sr2 h LEU 889 N 0.00 0.32 -1.41 5.07 3.38 -0.12 -3.51 115.31 119.05 1sr2 h LEU 889 Ca 0.00 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.71 1sr2 h LEU 889 Cb 0.77 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.43 1sr2 h LEU 889 CO 0.00 1.07 0.00 0.00 0.09 0.00 0.00 178.44 179.60