#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sr2 s GLN 776 N 0.00 4.20 0.00 3.17 1.11 -1.26 -3.13 119.66 123.74 1sr2 s GLN 776 Ca 0.00 2.34 0.00 0.00 0.01 0.00 0.00 55.36 57.71 1sr2 s GLN 776 Cb 0.00 -3.59 0.00 0.00 -1.01 0.00 0.00 33.01 28.41 1sr2 s GLN 776 CO 0.00 -0.74 0.00 0.39 0.01 0.00 0.00 175.29 174.95 1sr2 n GLU 777 N 5.56 0.00 -1.69 2.91 1.02 -1.26 -4.55 120.64 122.63 1sr2 n GLU 777 Ca 0.16 0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.89 1sr2 n GLU 777 Cb 0.40 0.00 -0.01 0.00 -0.02 0.00 0.00 31.44 31.81 1sr2 n GLU 777 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1sr2 n ALA 778 N 0.04 6.27 -2.01 0.62 0.00 -1.26 -4.92 120.51 119.25 1sr2 n ALA 778 Ca 0.00 -3.84 -0.40 0.00 0.00 0.00 0.00 53.44 49.21 1sr2 n ALA 778 Cb 0.00 -3.37 -0.03 0.00 0.00 0.00 0.00 19.45 16.05 1sr2 n ALA 778 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1sr2 s VAL 779 N 2.22 3.38 -1.53 0.00 1.01 -1.18 -4.26 120.40 120.04 1sr2 s VAL 779 Ca 0.54 0.28 -0.11 0.00 0.00 0.00 0.00 61.98 62.69 1sr2 s VAL 779 Cb 0.15 -3.82 -0.05 0.00 0.00 0.00 0.00 36.38 32.65 1sr2 s VAL 779 CO -0.07 -0.73 2.70 0.18 0.00 0.00 0.00 175.10 177.18 1sr2 n LEU 780 N 12.21 7.95 0.03 3.92 4.77 -1.26 -3.95 117.00 140.68 1sr2 n LEU 780 Ca 0.22 -4.20 0.00 0.00 -0.03 0.00 0.00 56.01 52.00 1sr2 n LEU 780 Cb 0.51 -1.55 0.00 0.00 -2.33 0.00 0.00 43.42 40.04 1sr2 n LEU 780 CO 0.70 1.68 -0.14 0.00 -1.33 0.00 0.00 177.39 178.30 1sr2 n GLN 781 N 4.39 0.00 -3.29 3.23 1.13 -1.26 -4.65 117.38 116.93 1sr2 n GLN 781 Ca 0.69 0.00 -0.18 0.00 -1.94 0.00 0.00 57.00 55.57 1sr2 n GLN 781 Cb 0.27 -0.21 0.01 0.00 0.11 0.00 0.00 30.24 30.43 1sr2 n GLN 781 CO 0.00 0.00 0.00 -0.11 -1.44 0.00 0.00 177.06 175.51 1sr2 n LEU 782 N -2.96 -4.90 0.00 1.08 7.94 -1.25 0.41 117.00 117.31 1sr2 n LEU 782 Ca 0.00 -0.13 0.00 0.00 -1.11 0.00 0.00 56.01 54.77 1sr2 n LEU 782 Cb 0.14 -2.52 0.00 0.00 0.53 0.00 0.00 43.42 41.58 1sr2 n LEU 782 CO 0.00 -0.84 0.00 -0.38 -1.11 0.00 0.00 177.39 175.06 1sr2 n ILE 783 N -1.15 0.00 -1.52 1.96 5.41 -1.26 -2.17 119.36 120.63 1sr2 n ILE 783 Ca -0.06 0.00 -0.01 0.00 1.00 0.00 0.00 62.75 63.67 1sr2 n ILE 783 Cb 0.58 0.00 -0.01 0.00 -0.71 0.00 0.00 39.64 39.50 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 0.00 0.00 0.00 0.38 0.28 -1.13 -4.99 120.64 115.18 1sr2 n GLU 784 Ca 0.00 -0.19 0.07 0.00 -0.16 0.00 0.00 57.16 56.89 1sr2 n GLU 784 Cb 0.00 0.28 -0.13 0.00 1.43 0.00 0.00 31.44 33.02 1sr2 n GLU 784 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 177.13 178.52 1sr2 n VAL 785 N 0.00 0.39 0.00 3.84 3.14 -0.45 -4.98 118.33 120.27 1sr2 n VAL 785 Ca -0.05 -0.57 0.00 0.00 -2.96 0.00 0.00 64.34 60.76 1sr2 n VAL 785 Cb 0.30 -0.18 0.00 0.00 -1.06 0.00 0.00 33.84 32.90 1sr2 n VAL 785 CO 0.00 0.00 0.00 1.67 -6.46 0.00 0.00 176.83 172.04 1sr2 n GLN 786 N -2.45 0.00 0.00 1.45 0.00 0.16 -4.11 117.38 112.44 1sr2 n GLN 786 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 56.92 1sr2 n GLN 786 Cb 0.67 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.91 1sr2 n GLN 786 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1sr2 n LEU 787 N 0.00 1.29 -3.64 1.69 7.99 -1.26 -4.67 117.00 118.40 1sr2 n LEU 787 Ca 0.00 0.03 -0.10 0.00 -0.01 0.00 0.00 56.01 55.93 1sr2 n LEU 787 Cb 0.00 -0.06 -0.07 0.00 -0.11 0.00 0.00 43.42 43.18 1sr2 n LEU 787 CO 0.00 -0.06 0.59 0.00 -1.51 0.00 0.00 177.39 176.41 1sr2 s ALA 788 N -4.31 -1.92 0.82 -1.18 0.00 -1.26 -5.07 121.76 108.85 1sr2 s ALA 788 Ca 0.00 1.99 -0.11 0.00 0.00 0.00 0.00 51.96 53.84 1sr2 s ALA 788 Cb 0.00 -1.37 0.12 0.00 0.00 0.00 0.00 23.12 21.87 1sr2 s ALA 788 CO 0.00 -0.29 1.17 1.14 0.00 0.00 0.00 175.76 177.78 1sr2 s GLN 789 N 0.46 1.60 0.64 0.00 1.03 -1.26 -5.03 119.66 117.09 1sr2 s GLN 789 Ca 0.00 -0.23 -0.17 0.00 0.04 0.00 0.00 55.36 55.01 1sr2 s GLN 789 Cb -0.05 -2.00 -0.01 0.00 0.03 0.00 0.00 33.01 30.98 1sr2 s GLN 789 CO -0.05 -1.75 1.15 -1.21 -2.54 0.00 0.00 175.29 170.89 1sr2 s GLU 790 N -5.56 2.83 0.12 9.60 0.41 -1.26 -5.02 118.70 119.82 1sr2 s GLU 790 Ca 0.65 1.57 -0.26 0.00 -0.41 0.00 0.00 54.97 56.53 1sr2 s GLU 790 Cb -0.08 -1.94 0.07 0.00 -1.78 0.00 0.00 34.13 30.40 1sr2 s GLU 790 CO 0.49 -1.26 0.98 -2.00 -0.49 0.00 0.00 175.26 172.98 1sr2 s GLU 791 N -3.76 1.09 -0.27 1.61 2.12 -1.26 -5.12 118.70 113.11 1sr2 s GLU 791 Ca 0.71 -0.59 -0.29 0.00 0.36 0.00 0.00 54.97 55.16 1sr2 s GLU 791 Cb -0.24 0.38 0.00 0.00 0.26 0.00 0.00 34.13 34.53 1sr2 s GLU 791 CO 0.38 -0.50 1.23 0.14 -0.54 0.00 0.00 175.26 175.97 1sr2 s VAL 792 N -3.20 4.27 -0.11 3.70 -7.23 -1.26 -4.90 120.40 111.68 1sr2 s VAL 792 Ca 0.12 1.48 -0.24 0.00 -1.81 0.00 0.00 61.98 61.52 1sr2 s VAL 792 Cb -0.01 -4.18 -0.28 0.00 0.56 0.00 0.00 36.38 32.47 1sr2 s VAL 792 CO 0.01 -0.39 0.74 0.71 -0.31 0.00 0.00 175.10 175.86 1sr2 h THR 793 N 5.78 1.53 -2.63 5.32 1.35 -2.02 -3.51 112.91 118.73 1sr2 h THR 793 Ca -0.25 -2.41 0.28 0.00 -0.55 0.00 0.00 66.41 63.49 1sr2 h THR 793 Cb 1.09 3.14 -0.12 0.00 -1.73 0.00 0.00 68.15 70.53 1sr2 h THR 793 CO 1.02 0.63 -0.79 -0.62 -0.25 0.00 0.00 175.52 175.52 1sr2 n GLU 794 N -4.34 -2.47 -2.44 4.72 -0.58 -1.26 -5.03 120.64 109.24 1sr2 n GLU 794 Ca -0.15 1.90 -0.01 0.00 -0.42 0.00 0.00 57.16 58.47 1sr2 n GLU 794 Cb 0.67 -2.93 -0.01 0.00 -0.57 0.00 0.00 31.44 28.61 1sr2 n GLU 794 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1sr2 n SER 795 N -3.88 -4.77 0.00 1.62 3.41 -1.26 -4.96 113.62 103.78 1sr2 n SER 795 Ca -0.04 1.40 0.00 0.00 -0.26 0.00 0.00 58.87 59.97 1sr2 n SER 795 Cb 0.52 -3.74 0.00 0.00 -0.26 0.00 0.00 64.21 60.73 1sr2 n SER 795 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 1sr2 n PRO 796 N 1.97 0.00 -0.11 4.33 -0.04 -1.26 -4.64 135.00 135.26 1sr2 n PRO 796 Ca -0.10 0.04 -0.17 0.00 -0.04 0.00 0.00 63.50 63.23 1sr2 n PRO 796 Cb 0.15 -0.59 -0.07 0.00 -0.04 0.00 0.00 33.50 32.96 1sr2 n PRO 796 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1sr2 n LEU 797 N -0.13 1.91 0.00 1.53 7.99 -1.26 -4.92 117.00 122.12 1sr2 n LEU 797 Ca 0.00 0.41 0.00 0.00 -0.01 0.00 0.00 56.01 56.41 1sr2 n LEU 797 Cb 0.00 -0.83 0.00 0.00 -0.11 0.00 0.00 43.42 42.48 1sr2 n LEU 797 CO 0.00 0.07 0.00 0.61 -1.51 0.00 0.00 177.39 176.56 1sr2 n GLY 798 N 1.42 2.98 0.00 -0.72 0.00 -1.26 -4.94 105.19 102.66 1sr2 n GLY 798 Ca -0.29 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 44.93 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 1.16 2.37 -0.02 0.00 -1.26 -5.09 105.19 102.35 1sr2 n GLY 799 Ca 0.00 0.28 -0.01 0.00 0.00 0.00 0.00 46.02 46.29 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 -6.27 -0.05 1.61 -0.08 -1.26 -4.25 116.55 106.25 1sr2 n ASP 800 Ca 0.00 0.96 -0.08 0.00 -1.51 0.00 0.00 54.79 54.16 1sr2 n ASP 800 Cb 0.00 -4.08 -0.01 0.00 2.34 0.00 0.00 41.12 39.37 1sr2 n ASP 800 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 1sr2 h GLU 801 N 2.09 -0.11 -0.37 -0.67 3.07 -1.98 0.38 114.58 116.98 1sr2 h GLU 801 Ca 0.00 0.01 -0.08 0.00 -0.50 0.00 0.00 59.36 58.79 1sr2 h GLU 801 Cb 0.07 0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 27.99 1sr2 h GLU 801 CO 0.08 -0.08 -0.10 -2.95 -1.40 0.00 0.00 179.01 174.56 1sr2 h ASN 802 N -0.12 0.63 -0.08 1.42 -1.07 -1.91 0.57 115.58 115.01 1sr2 h ASN 802 Ca 0.13 -0.17 -0.17 0.00 0.07 0.00 0.00 56.30 56.16 1sr2 h ASN 802 Cb 0.31 -0.17 0.01 0.00 -2.07 0.00 0.00 38.32 36.40 1sr2 h ASN 802 CO -0.31 0.77 -0.60 0.00 0.07 0.00 0.00 177.43 177.35 1sr2 h ALA 803 N 1.30 0.19 -0.51 4.14 0.00 -1.71 -1.15 119.26 121.52 1sr2 h ALA 803 Ca 0.11 -0.55 -0.07 0.00 0.00 0.00 0.00 54.91 54.41 1sr2 h ALA 803 Cb 0.53 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1sr2 h ALA 803 CO 0.03 0.45 0.05 1.96 0.00 0.00 0.00 179.25 181.74 1sr2 h GLN 804 N 0.16 0.82 -0.20 0.00 1.08 -0.12 0.32 115.11 117.17 1sr2 h GLN 804 Ca -0.05 -0.20 -0.08 0.00 -1.45 0.00 0.00 58.65 56.86 1sr2 h GLN 804 Cb 1.26 -0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 28.57 1sr2 h GLN 804 CO 0.12 0.79 -0.23 1.25 -0.95 0.00 0.00 178.83 179.81 1sr2 h LEU 805 N 0.78 0.37 -0.65 1.46 5.85 -0.84 -0.42 115.31 121.86 1sr2 h LEU 805 Ca 0.16 -0.11 -0.13 0.00 0.84 0.00 0.00 57.88 58.63 1sr2 h LEU 805 Cb 0.40 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 1sr2 h LEU 805 CO 0.01 0.61 -0.35 -0.74 -0.34 0.00 0.00 178.44 177.63 1sr2 h HIS 806 N 0.34 0.78 0.00 1.25 2.76 -0.35 -2.60 115.15 117.33 1sr2 h HIS 806 Ca 0.05 -0.21 -0.12 0.00 -2.20 0.00 0.00 60.37 57.89 1sr2 h HIS 806 Cb 0.60 -0.17 -0.02 0.00 1.55 0.00 0.00 27.41 29.37 1sr2 h HIS 806 CO 0.02 0.93 -0.59 0.00 -1.30 0.00 0.00 177.93 176.98 1sr2 h ALA 807 N 1.05 0.67 0.00 5.26 0.00 -0.44 -3.16 119.26 122.64 1sr2 h ALA 807 Ca 0.06 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1sr2 h ALA 807 Cb 0.86 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1sr2 h ALA 807 CO 0.07 0.74 -0.13 0.66 0.00 0.00 0.00 179.25 180.60 1sr2 h SER 808 N 0.00 0.00 0.00 0.00 4.64 -1.08 -3.47 113.55 113.63 1sr2 h SER 808 Ca -0.01 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 1sr2 h SER 808 Cb 1.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.47 1sr2 h SER 808 CO 0.08 0.01 0.00 0.61 -0.87 0.00 0.00 176.83 176.66 1sr2 n GLY 809 N 1.22 0.75 0.59 -0.77 0.00 -1.16 -4.91 105.19 100.92 1sr2 n GLY 809 Ca 0.04 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.18 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 -2.31 0.14 -0.23 1.61 4.01 -1.12 -4.06 117.16 115.20 1sr2 n TYR 810 Ca 0.00 -0.07 -0.07 0.00 -0.16 0.00 0.00 57.90 57.60 1sr2 n TYR 810 Cb 0.00 0.00 0.07 0.00 -0.31 0.00 0.00 39.34 39.10 1sr2 n TYR 810 CO 0.00 0.00 0.00 -0.92 -0.46 0.00 0.00 176.86 175.48 1sr2 h TYR 811 N 2.55 1.14 -0.65 -0.72 5.03 -1.76 0.61 116.97 123.16 1sr2 h TYR 811 Ca 0.00 -0.14 -0.03 0.00 2.58 0.00 0.00 58.73 61.13 1sr2 h TYR 811 Cb 0.55 -0.32 -0.03 0.00 1.55 0.00 0.00 36.73 38.48 1sr2 h TYR 811 CO 0.07 0.94 0.28 0.00 -1.32 0.00 0.00 178.16 178.14 1sr2 h ALA 812 N 1.11 1.27 -0.49 1.82 0.00 -1.89 -1.27 119.26 119.81 1sr2 h ALA 812 Ca 0.21 -0.15 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 1sr2 h ALA 812 Cb 0.40 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1sr2 h ALA 812 CO 0.01 0.55 -0.11 1.25 0.00 0.00 0.00 179.25 180.94 1sr2 h LEU 813 N 0.93 0.92 -1.46 0.00 6.46 -1.66 -1.43 115.31 119.06 1sr2 h LEU 813 Ca 0.22 -0.29 0.01 0.00 -0.12 0.00 0.00 57.88 57.70 1sr2 h LEU 813 Cb 0.14 -0.25 -0.03 0.00 -0.73 0.00 0.00 40.66 39.80 1sr2 h LEU 813 CO -0.02 1.04 0.37 0.15 -0.62 0.00 0.00 178.44 179.36 1sr2 h PHE 814 N 0.82 0.68 -0.66 1.25 3.57 0.02 -0.84 116.94 121.78 1sr2 h PHE 814 Ca 0.13 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.65 1sr2 h PHE 814 Cb 0.65 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 39.16 1sr2 h PHE 814 CO 0.04 0.42 0.00 1.33 -2.23 0.00 0.00 178.31 177.87 1sr2 n VAL 815 N -4.46 1.74 -0.04 1.41 0.24 -0.57 -3.71 118.33 112.94 1sr2 n VAL 815 Ca 0.06 -1.18 -0.04 0.00 -2.04 0.00 0.00 64.34 61.13 1sr2 n VAL 815 Cb 0.07 0.17 -0.01 0.00 -1.47 0.00 0.00 33.84 32.60 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 0.97 -0.03 -1.34 2.03 -0.37 -4.78 116.55 114.23 1sr2 n ASP 816 Ca 0.26 0.16 -0.21 0.00 0.52 0.00 0.00 54.79 55.52 1sr2 n ASP 816 Cb 0.86 -0.59 -0.13 0.00 -0.72 0.00 0.00 41.12 40.54 1sr2 n ASP 816 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 1sr2 n THR 817 N -3.48 1.71 0.19 5.18 -1.04 -0.90 -4.24 114.28 111.70 1sr2 n THR 817 Ca -0.07 -0.61 -0.15 0.00 -2.04 0.00 0.00 64.05 61.19 1sr2 n THR 817 Cb 0.25 -1.68 -0.07 0.00 -1.82 0.00 0.00 70.33 67.00 1sr2 n THR 817 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 1sr2 h VAL 818 N -0.00 0.32 -0.38 12.58 2.07 -1.70 0.26 116.25 129.39 1sr2 h VAL 818 Ca -0.46 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.07 1sr2 h VAL 818 Cb 1.97 0.32 -0.02 0.00 -1.52 0.00 0.00 31.29 32.04 1sr2 h VAL 818 CO 0.03 0.00 0.26 -0.65 0.02 0.00 0.00 177.57 177.23 1sr2 h PRO 819 N -0.66 0.47 -0.17 1.57 0.11 -1.80 0.12 132.00 131.64 1sr2 h PRO 819 Ca -0.01 -0.03 -0.16 0.00 0.11 0.00 0.00 66.00 65.92 1sr2 h PRO 819 Cb 0.61 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.62 1sr2 h PRO 819 CO -0.09 0.31 -0.51 0.22 -0.21 0.00 0.00 178.00 177.73 1sr2 h ASP 820 N 0.49 0.74 -0.08 -2.05 3.58 -1.58 -1.72 116.42 115.80 1sr2 h ASP 820 Ca 0.15 -0.59 -0.10 0.00 0.42 0.00 0.00 57.03 56.90 1sr2 h ASP 820 Cb -0.01 -0.21 -0.01 0.00 1.72 0.00 0.00 39.33 40.81 1sr2 h ASP 820 CO -0.03 1.20 -0.26 0.44 -2.88 0.00 0.00 179.24 177.70 1sr2 h ASP 821 N 0.31 0.52 -0.50 2.28 3.32 0.13 0.21 116.42 122.70 1sr2 h ASP 821 Ca -0.02 -0.18 -0.02 0.00 0.02 0.00 0.00 57.03 56.83 1sr2 h ASP 821 Cb 1.13 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 40.51 1sr2 h ASP 821 CO 0.11 0.78 0.23 0.58 -1.72 0.00 0.00 179.24 179.21 1sr2 h VAL 822 N 0.46 1.20 -0.22 -1.35 2.07 -0.73 0.32 116.25 118.00 1sr2 h VAL 822 Ca 0.06 -0.59 -0.09 0.00 0.82 0.00 0.00 66.70 66.90 1sr2 h VAL 822 Cb 0.70 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 1sr2 h VAL 822 CO 0.05 0.23 -0.27 0.11 0.02 0.00 0.00 177.57 177.71 1sr2 h LYS 823 N 0.67 0.42 -0.57 1.57 6.56 -0.91 -1.59 116.57 122.72 1sr2 h LYS 823 Ca 0.17 -0.16 -0.07 0.00 -1.06 0.00 0.00 60.65 59.53 1sr2 h LYS 823 Cb 0.15 -0.02 -0.02 0.00 -0.57 0.00 0.00 32.23 31.76 1sr2 h LYS 823 CO -0.02 0.66 0.09 -0.09 -2.06 0.00 0.00 179.45 178.03 1sr2 h ARG 824 N 0.37 0.95 -0.43 3.15 2.43 -0.11 -0.67 114.38 120.06 1sr2 h ARG 824 Ca 0.05 -0.25 0.06 0.00 -0.81 0.00 0.00 59.98 59.03 1sr2 h ARG 824 Cb 0.67 -0.11 -0.05 0.00 -0.42 0.00 0.00 29.97 30.06 1sr2 h ARG 824 CO 0.05 0.90 0.11 -0.07 -1.51 0.00 0.00 179.97 179.45 1sr2 h LEU 825 N 0.84 0.06 -0.59 3.80 3.38 0.08 0.22 115.31 123.10 1sr2 h LEU 825 Ca 0.17 0.07 0.08 0.00 0.09 0.00 0.00 57.88 58.29 1sr2 h LEU 825 Cb 0.42 0.08 -0.07 0.00 0.09 0.00 0.00 40.66 41.18 1sr2 h LEU 825 CO 0.01 0.07 0.25 1.88 0.09 0.00 0.00 178.44 180.74 1sr2 h TYR 826 N 0.25 0.44 -0.28 1.13 0.05 -0.97 0.11 116.97 117.70 1sr2 h TYR 826 Ca 0.21 0.03 -0.02 0.00 0.05 0.00 0.00 58.73 58.99 1sr2 h TYR 826 Cb 0.24 -0.11 -0.01 0.00 1.01 0.00 0.00 36.73 37.86 1sr2 h TYR 826 CO -0.19 0.15 0.08 1.15 -1.05 0.00 0.00 178.16 178.30 1sr2 h THR 827 N 0.45 1.20 0.00 -2.88 2.02 0.14 -2.10 112.91 111.75 1sr2 h THR 827 Ca 0.29 -0.66 -0.09 0.00 0.77 0.00 0.00 66.41 66.72 1sr2 h THR 827 Cb 0.32 1.10 -0.01 0.00 -1.74 0.00 0.00 68.15 67.81 1sr2 h THR 827 CO -0.27 0.22 -0.42 -0.33 0.37 0.00 0.00 175.52 175.09 1sr2 h GLU 828 N 0.30 0.00 -0.43 6.66 4.39 -0.36 -2.20 114.58 122.93 1sr2 h GLU 828 Ca 0.09 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.72 1sr2 h GLU 828 Cb 0.25 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.88 1sr2 h GLU 828 CO -0.00 0.42 -0.04 0.00 -1.16 0.00 0.00 179.01 178.22 1sr2 h ALA 829 N 1.58 1.12 0.00 3.43 0.00 -0.55 -0.28 119.26 124.57 1sr2 h ALA 829 Ca -0.00 -0.27 -0.10 0.00 0.00 0.00 0.00 54.91 54.54 1sr2 h ALA 829 Cb 1.03 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1sr2 h ALA 829 CO 0.05 0.56 -0.46 0.00 0.00 0.00 0.00 179.25 179.40 1sr2 h ALA 830 N 1.28 1.22 0.00 0.00 0.00 -0.82 -2.14 119.26 118.80 1sr2 h ALA 830 Ca 0.13 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1sr2 h ALA 830 Cb 0.48 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1sr2 h ALA 830 CO 0.02 0.58 0.00 2.41 0.00 0.00 0.00 179.25 182.26 1sr2 n THR 831 N -3.96 0.49 -1.59 0.00 -1.04 -0.84 -4.89 114.28 102.45 1sr2 n THR 831 Ca -0.02 -0.15 -0.17 0.00 -2.04 0.00 0.00 64.05 61.67 1sr2 n THR 831 Cb 0.49 -0.64 -0.07 0.00 -1.82 0.00 0.00 70.33 68.29 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 -2.06 -5.08 -4.41 8.00 7.64 -0.23 -4.90 113.62 112.59 1sr2 n SER 832 Ca 0.05 0.38 -0.43 0.00 1.01 0.00 0.00 58.87 59.88 1sr2 n SER 832 Cb 0.38 -4.10 0.00 0.00 -1.01 0.00 0.00 64.21 59.48 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 -0.84 5.06 0.28 6.43 -0.08 -0.52 -4.77 116.55 122.10 1sr2 n ASP 833 Ca -0.18 -2.96 0.13 0.00 -1.51 0.00 0.00 54.79 50.27 1sr2 n ASP 833 Cb 0.58 -1.62 0.82 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 7.08 0.00 -0.45 -0.67 0.04 -1.91 0.18 116.94 121.22 1sr2 h PHE 834 Ca 0.38 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 61.05 1sr2 h PHE 834 Cb 0.84 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.97 1sr2 h PHE 834 CO 1.24 0.05 -0.12 0.00 -0.60 0.00 0.00 178.31 178.88 1sr2 h ALA 835 N 1.95 0.94 -0.08 2.45 0.00 -1.96 0.59 119.26 123.15 1sr2 h ALA 835 Ca -0.00 -0.33 -0.20 0.00 0.00 0.00 0.00 54.91 54.38 1sr2 h ALA 835 Cb 0.14 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 1sr2 h ALA 835 CO 0.01 0.62 -0.77 0.00 0.00 0.00 0.00 179.25 179.10 1sr2 h ALA 836 N 1.12 0.50 -0.57 0.00 0.00 -1.32 -1.67 119.26 117.32 1sr2 h ALA 836 Ca 0.12 -0.62 0.03 0.00 0.00 0.00 0.00 54.91 54.44 1sr2 h ALA 836 Cb 0.62 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 1sr2 h ALA 836 CO 0.04 0.76 0.34 -0.07 0.00 0.00 0.00 179.25 180.32 1sr2 h LEU 837 N 0.32 0.54 -1.07 0.00 4.07 -0.49 -0.01 115.31 118.67 1sr2 h LEU 837 Ca -0.04 0.01 -0.04 0.00 0.08 0.00 0.00 57.88 57.88 1sr2 h LEU 837 Cb 1.37 -0.11 -0.03 0.00 1.08 0.00 0.00 40.66 42.98 1sr2 h LEU 837 CO 0.14 0.38 0.20 0.00 -1.08 0.00 0.00 178.44 178.08 1sr2 h ALA 838 N 1.26 1.26 -0.75 1.53 0.00 -0.76 -0.17 119.26 121.64 1sr2 h ALA 838 Ca 0.23 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1sr2 h ALA 838 Cb 0.04 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.56 1sr2 h ALA 838 CO -0.11 0.53 0.39 1.96 0.00 0.00 0.00 179.25 182.03 1sr2 h GLN 839 N 0.84 1.06 -0.23 0.00 1.08 -0.35 0.37 115.11 117.88 1sr2 h GLN 839 Ca 0.19 -0.14 -0.14 0.00 -1.45 0.00 0.00 58.65 57.12 1sr2 h GLN 839 Cb 0.21 -0.20 -0.00 0.00 -0.05 0.00 0.00 27.48 27.44 1sr2 h GLN 839 CO -0.01 0.80 -0.39 1.79 -0.95 0.00 0.00 178.83 180.07 1sr2 h THR 840 N 1.04 1.31 -0.38 -0.54 1.35 -0.60 -1.99 112.91 113.11 1sr2 h THR 840 Ca 0.26 -1.60 -0.02 0.00 -0.55 0.00 0.00 66.41 64.50 1sr2 h THR 840 Cb 0.06 1.77 -0.02 0.00 -1.73 0.00 0.00 68.15 68.23 1sr2 h THR 840 CO -0.04 0.50 0.16 0.00 -0.25 0.00 0.00 175.52 175.90 1sr2 h ALA 841 N 0.63 1.58 -0.05 6.62 0.00 -0.84 0.80 119.26 128.00 1sr2 h ALA 841 Ca 0.02 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1sr2 h ALA 841 Cb 0.99 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 1sr2 h ALA 841 CO 0.09 0.34 0.03 1.25 0.00 0.00 0.00 179.25 180.96 1sr2 h HIS 842 N 0.53 0.07 -0.50 0.00 6.17 -0.02 0.26 115.15 121.66 1sr2 h HIS 842 Ca 0.13 -0.00 -0.05 0.00 0.71 0.00 0.00 60.37 61.16 1sr2 h HIS 842 Cb 0.09 -0.02 -0.02 0.00 2.52 0.00 0.00 27.41 29.98 1sr2 h HIS 842 CO 0.00 0.10 0.10 -0.09 0.71 0.00 0.00 177.93 178.76 1sr2 h ARG 843 N 0.02 0.81 -0.22 5.26 9.65 -0.86 -1.61 114.38 127.43 1sr2 h ARG 843 Ca 0.02 -0.21 -0.04 0.00 -1.10 0.00 0.00 59.98 58.66 1sr2 h ARG 843 Cb 0.05 -0.10 -0.01 0.00 -1.39 0.00 0.00 29.97 28.53 1sr2 h ARG 843 CO -0.00 0.80 -0.00 -0.07 2.80 0.00 0.00 179.97 183.49 1sr2 h LEU 844 N 0.69 0.38 -1.22 3.80 3.38 -0.70 -0.37 115.31 121.27 1sr2 h LEU 844 Ca 0.15 -0.31 -0.00 0.00 0.09 0.00 0.00 57.88 57.81 1sr2 h LEU 844 Cb 0.37 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 1sr2 h LEU 844 CO 0.01 0.60 0.42 0.50 0.09 0.00 0.00 178.44 180.05 1sr2 h LYS 845 N 0.16 0.95 0.09 1.13 3.64 -0.47 0.96 116.57 123.02 1sr2 h LYS 845 Ca 0.06 -0.08 -0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1sr2 h LYS 845 Cb 0.40 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 1sr2 h LYS 845 CO 0.01 0.67 -0.04 0.78 -2.27 0.00 0.00 179.45 178.60 1sr2 h GLY 846 N 1.00 -0.12 1.45 5.01 0.00 -0.94 -1.28 103.07 108.20 1sr2 h GLY 846 Ca 0.25 0.04 -0.12 0.00 0.00 0.00 0.00 47.33 47.50 1sr2 h GLY 846 CO -0.05 -0.04 -0.34 -0.24 0.00 0.00 0.00 176.54 175.87 1sr2 h VAL 847 N -0.44 1.29 -0.48 4.60 3.04 -0.85 -0.67 116.25 122.74 1sr2 h VAL 847 Ca -0.01 -1.47 -0.10 0.00 -1.01 0.00 0.00 66.70 64.10 1sr2 h VAL 847 Cb 0.37 1.44 -0.02 0.00 -2.01 0.00 0.00 31.29 31.07 1sr2 h VAL 847 CO 0.02 0.47 -0.10 -0.26 -1.01 0.00 0.00 177.57 176.69 1sr2 h PHE 848 N 0.52 0.97 -0.18 3.17 0.04 -0.85 -1.05 116.94 119.56 1sr2 h PHE 848 Ca 0.06 -0.18 -0.05 0.00 2.80 0.00 0.00 57.97 60.59 1sr2 h PHE 848 Cb 0.84 -0.25 -0.01 0.00 2.20 0.00 0.00 35.95 38.73 1sr2 h PHE 848 CO 0.04 0.93 -0.13 0.00 -0.60 0.00 0.00 178.31 178.55 1sr2 h ALA 849 N 1.09 1.45 -0.32 2.45 0.00 -0.92 0.30 119.26 123.31 1sr2 h ALA 849 Ca 0.13 -0.22 -0.10 0.00 0.00 0.00 0.00 54.91 54.72 1sr2 h ALA 849 Cb 0.61 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1sr2 h ALA 849 CO 0.04 0.38 -0.22 1.98 0.00 0.00 0.00 179.25 181.44 1sr2 h MET 850 N 0.27 0.60 -0.00 0.00 1.85 -0.21 -1.73 114.93 115.71 1sr2 h MET 850 Ca 0.05 -0.22 0.00 0.00 -0.61 0.00 0.00 59.70 58.92 1sr2 h MET 850 Cb 0.40 -0.04 0.00 0.00 0.43 0.00 0.00 31.60 32.39 1sr2 h MET 850 CO 0.02 0.78 -0.24 1.28 -0.40 0.00 0.00 176.91 178.35 1sr2 n LEU 851 N -4.13 0.55 -0.63 3.39 4.77 -0.48 -4.92 117.00 115.55 1sr2 n LEU 851 Ca 0.00 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.90 1sr2 n LEU 851 Cb 0.40 -0.23 -0.04 0.00 -2.33 0.00 0.00 43.42 41.23 1sr2 n LEU 851 CO 0.43 0.11 -0.08 -3.20 -1.33 0.00 0.00 177.39 173.32 1sr2 n ASN 852 N -1.11 -4.04 -4.58 -1.43 2.85 0.75 -4.90 115.26 102.81 1sr2 n ASN 852 Ca 0.10 0.20 -0.36 0.00 -0.11 0.00 0.00 54.58 54.41 1sr2 n ASN 852 Cb 0.32 -2.26 -0.03 0.00 1.24 0.00 0.00 39.78 39.05 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 -1.87 3.46 0.09 1.20 1.02 0.47 -4.77 118.68 118.28 1sr2 s LEU 853 Ca 0.00 -1.92 -0.32 0.00 0.02 0.00 0.00 54.13 51.91 1sr2 s LEU 853 Cb 0.00 -2.58 -0.14 0.00 0.02 0.00 0.00 46.19 43.49 1sr2 s LEU 853 CO 0.00 -2.02 1.50 0.58 0.02 0.00 0.00 176.35 176.43 1sr2 h VAL 854 N 6.05 0.00 -0.77 -1.59 2.07 -1.91 0.18 116.25 120.28 1sr2 h VAL 854 Ca 0.31 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.96 1sr2 h VAL 854 Cb 0.92 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.60 1sr2 h VAL 854 CO 1.35 0.00 0.36 1.55 0.02 0.00 0.00 177.57 180.85 1sr2 h PRO 855 N -0.76 0.53 -0.24 1.57 0.13 -1.98 0.54 132.00 131.79 1sr2 h PRO 855 Ca -0.02 -0.03 -0.05 0.00 -0.87 0.00 0.00 66.00 65.03 1sr2 h PRO 855 Cb 0.72 -0.12 -0.01 0.00 0.13 0.00 0.00 31.00 31.73 1sr2 h PRO 855 CO -0.19 0.35 -0.04 0.78 -0.23 0.00 0.00 178.00 178.67 1sr2 h GLY 856 N 0.55 0.48 1.05 1.56 0.00 -1.91 0.09 103.07 104.90 1sr2 h GLY 856 Ca 0.41 -0.38 -0.04 0.00 0.00 0.00 0.00 47.33 47.32 1sr2 h GLY 856 CO -0.35 0.35 0.38 1.70 0.00 0.00 0.00 176.54 178.63 1sr2 h LYS 857 N 0.20 1.22 -0.26 4.80 3.64 0.09 -1.96 116.57 124.28 1sr2 h LYS 857 Ca 0.06 -0.19 -0.08 0.00 -1.27 0.00 0.00 60.65 59.17 1sr2 h LYS 857 Cb 0.48 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.07 1sr2 h LYS 857 CO 0.02 0.95 -0.20 0.37 -2.27 0.00 0.00 179.45 178.32 1sr2 h GLN 858 N 1.20 0.48 -0.57 1.90 5.75 0.18 0.61 115.11 124.65 1sr2 h GLN 858 Ca 0.29 -0.16 0.04 0.00 -0.15 0.00 0.00 58.65 58.67 1sr2 h GLN 858 Cb 0.15 -0.04 -0.04 0.00 1.07 0.00 0.00 27.48 28.61 1sr2 h GLN 858 CO -0.03 0.65 0.32 -0.07 -2.65 0.00 0.00 178.83 177.06 1sr2 h LEU 859 N 0.43 0.50 -0.96 -2.39 3.38 -0.28 0.20 115.31 116.19 1sr2 h LEU 859 Ca 0.07 0.02 -0.08 0.00 0.09 0.00 0.00 57.88 57.98 1sr2 h LEU 859 Cb 0.59 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 1sr2 h LEU 859 CO 0.04 0.34 -0.14 0.00 0.09 0.00 0.00 178.44 178.77 1sr2 h GLU 861 N 0.55 0.21 -0.20 0.00 5.08 -0.02 -0.25 114.58 119.94 1sr2 h GLU 861 Ca 0.10 -0.03 -0.08 0.00 -1.00 0.00 0.00 59.36 58.34 1sr2 h GLU 861 Cb 0.56 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 1sr2 h GLU 861 CO 0.04 0.28 -0.22 1.15 -1.00 0.00 0.00 179.01 179.25 1sr2 h THR 862 N 0.09 1.24 -0.39 1.13 2.02 -0.45 -1.64 112.91 114.91 1sr2 h THR 862 Ca 0.05 -1.13 0.01 0.00 0.77 0.00 0.00 66.41 66.11 1sr2 h THR 862 Cb 0.14 1.34 -0.02 0.00 -1.74 0.00 0.00 68.15 67.87 1sr2 h THR 862 CO -0.01 0.35 0.24 -0.07 0.37 0.00 0.00 175.52 176.41 1sr2 h LEU 863 N 0.32 0.41 -0.79 2.58 3.38 -0.40 0.30 115.31 121.11 1sr2 h LEU 863 Ca 0.05 -0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.08 1sr2 h LEU 863 Cb 0.58 -0.09 -0.06 0.00 0.09 0.00 0.00 40.66 41.17 1sr2 h LEU 863 CO 0.04 0.29 0.48 -0.08 0.09 0.00 0.00 178.44 179.26 1sr2 h GLU 864 N 0.49 0.86 0.00 1.13 4.81 -0.57 0.41 114.58 121.71 1sr2 h GLU 864 Ca 0.15 -0.05 -0.09 0.00 -0.13 0.00 0.00 59.36 59.24 1sr2 h GLU 864 Cb -0.03 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.15 1sr2 h GLU 864 CO -0.05 0.57 -0.41 1.25 -0.73 0.00 0.00 179.01 179.64 1sr2 h HIS 865 N 0.88 0.00 0.00 0.92 2.76 -0.61 0.46 115.15 119.56 1sr2 h HIS 865 Ca 0.35 0.00 -0.14 0.00 -2.20 0.00 0.00 60.37 58.37 1sr2 h HIS 865 Cb 0.16 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.10 1sr2 h HIS 865 CO -0.05 0.41 -0.69 -0.07 -1.30 0.00 0.00 177.93 176.23 1sr2 h LEU 866 N 0.00 0.00 -0.11 0.26 3.38 0.70 -0.87 115.31 118.67 1sr2 h LEU 866 Ca -0.00 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.87 1sr2 h LEU 866 Cb 0.74 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.49 1sr2 h LEU 866 CO 0.05 0.69 -0.30 0.40 0.09 0.00 0.00 178.44 179.38 1sr2 h ILE 867 N 0.00 1.39 -0.45 1.22 2.04 -0.34 0.19 117.51 121.57 1sr2 h ILE 867 Ca -0.01 -1.61 -0.06 0.00 1.00 0.00 0.00 64.86 64.18 1sr2 h ILE 867 Cb 1.30 2.15 -0.02 0.00 -0.74 0.00 0.00 36.82 39.51 1sr2 h ILE 867 CO 0.09 0.47 0.01 0.08 0.00 0.00 0.00 178.15 178.81 1sr2 h ARG 868 N -0.05 0.72 0.00 2.37 0.11 -0.91 -1.69 114.38 114.93 1sr2 h ARG 868 Ca -0.01 -0.18 0.00 0.00 0.10 0.00 0.00 59.98 59.90 1sr2 h ARG 868 Cb 0.91 -0.09 0.00 0.00 1.11 0.00 0.00 29.97 31.90 1sr2 h ARG 868 CO 0.06 0.72 -0.15 0.39 0.10 0.00 0.00 179.97 181.10 1sr2 n GLU 869 N -4.24 0.12 -3.24 0.08 4.71 -0.34 -4.97 120.64 112.76 1sr2 n GLU 869 Ca 0.02 0.08 -0.11 0.00 -0.01 0.00 0.00 57.16 57.14 1sr2 n GLU 869 Cb 0.28 -1.62 0.03 0.00 -1.01 0.00 0.00 31.44 29.12 1sr2 n GLU 869 CO 0.00 0.00 0.00 1.17 0.09 0.00 0.00 177.13 178.39 1sr2 n LYS 870 N -1.82 -1.71 -3.87 3.49 3.00 0.00 -5.00 118.16 112.26 1sr2 n LYS 870 Ca 0.06 1.09 -0.33 0.00 -0.00 0.00 0.00 58.31 59.13 1sr2 n LYS 870 Cb 0.38 -5.45 -0.13 0.00 0.00 0.00 0.00 35.03 29.84 1sr2 n LYS 870 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 1sr2 s ASP 871 N -3.21 4.71 0.12 3.14 -1.08 0.46 -4.99 116.67 115.81 1sr2 s ASP 871 Ca 0.24 -2.82 -0.27 0.00 -0.52 0.00 0.00 52.55 49.18 1sr2 s ASP 871 Cb -0.04 -1.72 -0.07 0.00 -1.46 0.00 0.00 42.92 39.63 1sr2 s ASP 871 CO 0.77 -0.31 1.63 0.58 0.52 0.00 0.00 175.17 178.35 1sr2 h VAL 872 N 5.59 0.36 -1.00 1.11 2.07 -1.94 0.10 116.25 122.55 1sr2 h VAL 872 Ca -0.06 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.55 1sr2 h VAL 872 Cb 0.93 0.36 -0.07 0.00 -1.52 0.00 0.00 31.29 30.99 1sr2 h VAL 872 CO 0.68 0.00 0.64 -0.65 0.02 0.00 0.00 177.57 178.26 1sr2 h PRO 873 N -0.48 1.05 -0.01 1.57 0.11 -1.99 0.12 132.00 132.38 1sr2 h PRO 873 Ca 0.04 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 66.09 1sr2 h PRO 873 Cb 0.53 -0.24 -0.00 0.00 0.11 0.00 0.00 31.00 31.41 1sr2 h PRO 873 CO -0.20 0.70 0.01 0.78 -0.21 0.00 0.00 178.00 179.07 1sr2 h GLY 874 N 1.09 0.02 0.71 -0.55 0.00 -1.82 -0.46 103.07 102.05 1sr2 h GLY 874 Ca 0.46 -0.01 0.03 0.00 0.00 0.00 0.00 47.33 47.81 1sr2 h GLY 874 CO -0.21 0.01 0.02 -2.22 0.00 0.00 0.00 176.54 174.15 1sr2 h ILE 875 N -0.13 0.87 -0.26 2.60 2.04 -0.19 -0.87 117.51 121.58 1sr2 h ILE 875 Ca 0.00 -0.03 0.05 0.00 1.00 0.00 0.00 64.86 65.88 1sr2 h ILE 875 Cb 0.15 0.76 -0.04 0.00 -0.74 0.00 0.00 36.82 36.95 1sr2 h ILE 875 CO -0.00 0.02 -0.02 -0.33 0.00 0.00 0.00 178.15 177.81 1sr2 h GLU 876 N 0.10 0.05 -0.48 2.37 5.08 -0.67 0.03 114.58 121.05 1sr2 h GLU 876 Ca 0.10 -0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.41 1sr2 h GLU 876 Cb 0.11 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 1sr2 h GLU 876 CO -0.15 0.03 0.11 -0.22 -1.00 0.00 0.00 179.01 177.78 1sr2 h LYS 877 N 0.05 0.74 -0.02 2.33 3.11 -0.78 -1.63 116.57 120.36 1sr2 h LYS 877 Ca 0.12 -0.14 -0.18 0.00 -2.81 0.00 0.00 60.65 57.64 1sr2 h LYS 877 Cb 0.17 -0.11 -0.01 0.00 -1.00 0.00 0.00 32.23 31.27 1sr2 h LYS 877 CO -0.23 0.68 -0.78 1.88 -2.81 0.00 0.00 179.45 178.19 1sr2 h TYR 878 N 0.71 0.24 -0.49 1.91 -1.99 -0.56 0.13 116.97 116.92 1sr2 h TYR 878 Ca 0.16 -0.12 -0.09 0.00 2.00 0.00 0.00 58.73 60.68 1sr2 h TYR 878 Cb 0.28 -0.03 -0.02 0.00 2.00 0.00 0.00 36.73 38.96 1sr2 h TYR 878 CO 0.01 0.87 -0.06 0.82 -0.00 0.00 0.00 178.16 179.81 1sr2 h ILE 879 N 0.10 1.27 -0.12 -2.88 2.04 -0.61 0.32 117.51 117.63 1sr2 h ILE 879 Ca -0.03 -1.17 -0.12 0.00 1.00 0.00 0.00 64.86 64.54 1sr2 h ILE 879 Cb 1.36 1.03 -0.01 0.00 -0.74 0.00 0.00 36.82 38.46 1sr2 h ILE 879 CO 0.12 0.41 -0.47 0.77 0.00 0.00 0.00 178.15 178.97 1sr2 h SER 880 N 0.77 0.33 -0.25 1.72 4.64 -1.19 -0.57 113.55 118.99 1sr2 h SER 880 Ca 0.13 -0.15 -0.04 0.00 -0.47 0.00 0.00 61.79 61.26 1sr2 h SER 880 Cb 0.60 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.59 1sr2 h SER 880 CO 0.04 0.75 0.01 -0.78 -0.87 0.00 0.00 176.83 175.98 1sr2 h ASP 881 N 0.24 0.43 0.02 4.97 1.82 -0.47 0.84 116.42 124.27 1sr2 h ASP 881 Ca 0.01 -0.30 -0.05 0.00 -0.39 0.00 0.00 57.03 56.30 1sr2 h ASP 881 Cb 0.93 -0.11 -0.01 0.00 0.68 0.00 0.00 39.33 40.81 1sr2 h ASP 881 CO 0.08 0.62 -0.14 -0.29 -1.61 0.00 0.00 179.24 177.89 1sr2 h ILE 882 N 0.22 1.19 -0.16 2.25 2.10 -0.21 0.43 117.51 123.33 1sr2 h ILE 882 Ca 0.07 -0.85 -0.11 0.00 1.08 0.00 0.00 64.86 65.05 1sr2 h ILE 882 Cb 0.39 1.23 0.00 0.00 -1.09 0.00 0.00 36.82 37.35 1sr2 h ILE 882 CO 0.01 0.26 -0.35 -0.78 -1.08 0.00 0.00 178.15 176.22 1sr2 h ASP 883 N 0.25 0.58 -0.85 2.19 3.58 -0.88 0.42 116.42 121.71 1sr2 h ASP 883 Ca 0.05 -0.56 0.00 0.00 0.42 0.00 0.00 57.03 56.94 1sr2 h ASP 883 Cb 0.41 -0.17 -0.04 0.00 1.72 0.00 0.00 39.33 41.25 1sr2 h ASP 883 CO 0.02 1.04 0.55 -1.28 -2.88 0.00 0.00 179.24 176.70 1sr2 h SER 884 N 0.15 0.99 0.69 2.28 0.87 -0.48 0.16 113.55 118.21 1sr2 h SER 884 Ca 0.00 -0.03 -0.03 0.00 -1.23 0.00 0.00 61.79 60.50 1sr2 h SER 884 Cb 0.95 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 62.66 1sr2 h SER 884 CO 0.08 0.73 -0.37 0.22 -0.53 0.00 0.00 176.83 176.96 1sr2 h TYR 885 N 1.17 -0.98 -0.36 2.24 3.20 0.16 -1.01 116.97 121.39 1sr2 h TYR 885 Ca 0.31 -0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.14 1sr2 h TYR 885 Cb -0.11 0.34 -0.02 0.00 1.54 0.00 0.00 36.73 38.47 1sr2 h TYR 885 CO 0.00 -0.58 0.10 0.28 -1.64 0.00 0.00 178.16 176.32 1sr2 h VAL 886 N -0.98 1.16 -0.21 1.81 2.07 -0.76 -0.95 116.25 118.39 1sr2 h VAL 886 Ca -0.09 -0.55 -0.08 0.00 0.82 0.00 0.00 66.70 66.80 1sr2 h VAL 886 Cb 0.77 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 31.31 1sr2 h VAL 886 CO 0.12 0.20 -0.23 0.50 0.02 0.00 0.00 177.57 178.19 1sr2 h LYS 887 N 0.51 0.38 0.00 1.57 3.64 -0.38 -0.45 116.57 121.85 1sr2 h LYS 887 Ca 0.12 -0.13 -0.21 0.00 -1.27 0.00 0.00 60.65 59.17 1sr2 h LYS 887 Cb 0.17 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.93 1sr2 h LYS 887 CO -0.01 0.59 -0.98 0.66 -2.27 0.00 0.00 179.45 177.44 1sr2 h SER 888 N 0.35 0.00 1.31 4.20 4.64 -0.35 -3.15 113.55 120.54 1sr2 h SER 888 Ca 0.06 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.36 1sr2 h SER 888 Cb 0.60 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.68 1sr2 h SER 888 CO 0.04 0.98 -0.10 -0.07 -0.87 0.00 0.00 176.83 176.82 1sr2 h LEU 889 N 0.00 0.00 -0.01 5.97 4.07 -0.85 -3.51 115.31 120.98 1sr2 h LEU 889 Ca -0.01 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.95 1sr2 h LEU 889 Cb 1.76 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.50 1sr2 h LEU 889 CO 0.13 0.10 0.00 0.18 -1.08 0.00 0.00 178.44 177.76