#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 -0.27 2.12 1.13 -1.26 -4.63 117.38 114.46 1sr2 n GLN 776 Ca 0.00 0.00 0.01 0.00 -1.94 0.00 0.00 57.00 55.07 1sr2 n GLN 776 Cb 0.00 0.00 0.14 0.00 0.11 0.00 0.00 30.24 30.49 1sr2 n GLN 776 CO 0.00 0.00 0.00 1.05 -1.44 0.00 0.00 177.06 176.67 1sr2 h GLU 777 N 0.00 0.73 0.00 -1.09 4.11 -2.08 -1.86 114.58 114.39 1sr2 h GLU 777 Ca 0.00 -0.04 -0.09 0.00 0.07 0.00 0.00 59.36 59.30 1sr2 h GLU 777 Cb 0.00 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.07 1sr2 h GLU 777 CO 0.00 0.48 -0.60 0.00 0.07 0.00 0.00 179.01 178.97 1sr2 h ALA 778 N 1.42 0.72 -0.47 1.06 0.00 -2.03 -3.48 119.26 116.48 1sr2 h ALA 778 Ca 0.36 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1sr2 h ALA 778 Cb 0.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1sr2 h ALA 778 CO -0.23 0.50 0.00 0.28 0.00 0.00 0.00 179.25 179.80 1sr2 n VAL 779 N -3.10 0.00 0.01 0.00 0.31 -0.70 -4.32 118.33 110.53 1sr2 n VAL 779 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1sr2 n VAL 779 Cb 0.70 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.63 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 0.00 -0.04 0.00 7.52 -0.00 -1.26 -4.78 117.00 118.44 1sr2 n LEU 780 Ca 0.00 0.04 0.00 0.00 -0.00 0.00 0.00 56.01 56.05 1sr2 n LEU 780 Cb 0.00 0.08 0.00 0.00 -0.00 0.00 0.00 43.42 43.50 1sr2 n LEU 780 CO 0.00 -0.52 0.00 1.67 -0.00 0.00 0.00 177.39 178.54 1sr2 n GLN 781 N -2.58 0.00 0.00 1.47 -0.06 -1.26 -5.13 117.38 109.82 1sr2 n GLN 781 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.00 1sr2 n GLN 781 Cb 0.00 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.18 1sr2 n GLN 781 CO 0.00 0.00 0.00 -0.11 -0.20 0.00 0.00 177.06 176.75 1sr2 n LEU 782 N 0.00 0.00 0.00 1.69 7.94 -1.26 -5.07 117.00 120.30 1sr2 n LEU 782 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 1sr2 n LEU 782 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 1sr2 n LEU 782 CO 0.00 0.00 0.00 -0.38 -1.11 0.00 0.00 177.39 175.90 1sr2 n ILE 783 N -0.42 0.00 0.00 1.96 2.08 -1.26 -5.08 119.36 116.64 1sr2 n ILE 783 Ca 0.00 0.07 0.00 0.00 0.56 0.00 0.00 62.75 63.38 1sr2 n ILE 783 Cb 0.00 -0.96 0.00 0.00 -0.75 0.00 0.00 39.64 37.93 1sr2 n ILE 783 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 1sr2 n GLU 784 N -1.58 0.00 -3.28 0.38 -0.58 -1.26 -5.12 120.64 109.20 1sr2 n GLU 784 Ca 0.00 0.00 0.01 0.00 -0.42 0.00 0.00 57.16 56.75 1sr2 n GLU 784 Cb 0.00 0.00 -0.03 0.00 -0.57 0.00 0.00 31.44 30.84 1sr2 n GLU 784 CO 0.00 0.00 0.00 0.14 -0.48 0.00 0.00 177.13 176.79 1sr2 s VAL 785 N -1.41 -0.93 -0.14 2.62 -7.23 -1.26 -5.10 120.40 106.94 1sr2 s VAL 785 Ca 0.00 -0.00 0.02 0.00 -1.81 0.00 0.00 61.98 60.18 1sr2 s VAL 785 Cb 0.00 -0.96 0.01 0.00 0.56 0.00 0.00 36.38 36.00 1sr2 s VAL 785 CO 0.00 -0.01 -0.19 0.00 -0.31 0.00 0.00 175.10 174.58 1sr2 s GLN 786 N 2.81 2.76 -1.54 4.82 -2.07 -1.26 -4.68 119.66 120.49 1sr2 s GLN 786 Ca 0.14 -0.75 -0.05 0.00 -1.82 0.00 0.00 55.36 52.89 1sr2 s GLN 786 Cb -0.14 -2.31 0.01 0.00 -1.09 0.00 0.00 33.01 29.47 1sr2 s GLN 786 CO -0.20 -0.10 0.60 1.28 -1.32 0.00 0.00 175.29 175.56 1sr2 n LEU 787 N 4.32 -2.68 0.00 2.60 4.77 -1.26 -4.84 117.00 119.90 1sr2 n LEU 787 Ca -0.20 -0.28 0.00 0.00 -0.03 0.00 0.00 56.01 55.50 1sr2 n LEU 787 Cb 0.51 -2.95 0.00 0.00 -2.33 0.00 0.00 43.42 38.65 1sr2 n LEU 787 CO 0.25 0.23 -0.25 0.00 -1.33 0.00 0.00 177.39 176.29 1sr2 n ALA 788 N -3.53 1.89 -3.09 -1.18 0.00 -1.26 -4.94 120.51 108.41 1sr2 n ALA 788 Ca -0.11 0.00 -0.44 0.00 0.00 0.00 0.00 53.44 52.88 1sr2 n ALA 788 Cb 0.62 0.23 -0.00 0.00 0.00 0.00 0.00 19.45 20.29 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 -1.51 4.08 0.33 0.00 2.00 -1.26 -4.95 119.66 118.35 1sr2 s GLN 789 Ca 0.00 -2.74 0.04 0.00 -2.00 0.00 0.00 55.36 50.67 1sr2 s GLN 789 Cb 0.00 -4.87 -0.03 0.00 0.80 0.00 0.00 33.01 28.91 1sr2 s GLN 789 CO 0.00 -1.58 0.18 -1.21 -0.50 0.00 0.00 175.29 172.18 1sr2 s GLU 790 N 0.66 1.70 0.00 1.67 0.41 -1.26 -5.12 118.70 116.76 1sr2 s GLU 790 Ca 0.37 -1.99 0.00 0.00 -0.41 0.00 0.00 54.97 52.94 1sr2 s GLU 790 Cb -0.06 -0.11 0.00 0.00 -1.78 0.00 0.00 34.13 32.19 1sr2 s GLU 790 CO -0.04 -0.50 0.00 -0.85 -0.49 0.00 0.00 175.26 173.38 1sr2 n GLU 791 N -0.66 0.00 -3.54 1.61 0.28 -1.26 -5.20 120.64 111.87 1sr2 n GLU 791 Ca 0.01 0.00 -0.15 0.00 -0.16 0.00 0.00 57.16 56.86 1sr2 n GLU 791 Cb 0.64 0.00 -0.06 0.00 1.43 0.00 0.00 31.44 33.46 1sr2 n GLU 791 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1sr2 s VAL 792 N -2.00 0.00 -0.05 3.84 0.11 -1.26 -5.17 120.40 115.86 1sr2 s VAL 792 Ca 0.00 0.00 -0.26 0.00 -2.93 0.00 0.00 61.98 58.79 1sr2 s VAL 792 Cb 0.00 -1.00 0.06 0.00 -1.53 0.00 0.00 36.38 33.91 1sr2 s VAL 792 CO 0.00 0.00 0.57 0.28 -3.33 0.00 0.00 175.10 172.62 1sr2 s THR 793 N -1.18 0.02 0.12 5.04 -1.32 -1.26 -5.18 115.64 111.88 1sr2 s THR 793 Ca -0.08 -0.13 -0.25 0.00 -1.21 0.00 0.00 61.69 60.02 1sr2 s THR 793 Cb -0.00 -0.88 0.07 0.00 -1.51 0.00 0.00 72.50 70.18 1sr2 s THR 793 CO 0.07 -0.07 0.86 -1.83 -2.21 0.00 0.00 174.62 171.43 1sr2 s GLU 794 N -1.10 1.17 -0.29 7.08 4.04 -1.26 -5.15 118.70 123.18 1sr2 s GLU 794 Ca -0.11 -0.57 0.05 0.00 0.04 0.00 0.00 54.97 54.38 1sr2 s GLU 794 Cb -0.02 0.45 0.20 0.00 0.02 0.00 0.00 34.13 34.78 1sr2 s GLU 794 CO 0.08 -0.53 0.60 -1.12 -1.84 0.00 0.00 175.26 172.45 1sr2 s SER 795 N -2.77 -1.58 0.00 0.83 0.01 -1.26 -5.13 113.70 103.80 1sr2 s SER 795 Ca 0.08 0.28 0.00 0.00 1.31 0.00 0.00 55.95 57.62 1sr2 s SER 795 Cb -0.02 2.04 0.00 0.00 0.21 0.00 0.00 66.02 68.25 1sr2 s SER 795 CO -0.03 -0.29 0.00 -0.81 0.41 0.00 0.00 173.24 172.52 1sr2 n PRO 796 N 5.42 0.00 -2.61 12.44 -0.04 -1.26 -5.04 135.00 143.91 1sr2 n PRO 796 Ca 0.04 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.45 1sr2 n PRO 796 Cb 0.54 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 34.00 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 0.00 -7.07 0.02 1.53 4.77 -1.26 -5.03 117.00 109.96 1sr2 n LEU 797 Ca 0.00 0.67 -0.02 0.00 -0.03 0.00 0.00 56.01 56.64 1sr2 n LEU 797 Cb 0.00 -3.03 -0.01 0.00 -2.33 0.00 0.00 43.42 38.06 1sr2 n LEU 797 CO 0.00 -2.21 -0.11 0.61 -1.33 0.00 0.00 177.39 174.34 1sr2 n GLY 798 N -0.07 -0.12 0.21 -0.72 0.00 -1.26 -4.94 105.19 98.30 1sr2 n GLY 798 Ca 0.07 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 3.11 -0.49 2.76 -0.02 0.00 -1.26 -4.99 105.19 104.30 1sr2 n GLY 799 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 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 5.59 -0.34 1.61 5.75 -1.26 -4.73 116.55 123.17 1sr2 n ASP 800 Ca 0.00 -3.07 -0.04 0.00 -0.01 0.00 0.00 54.79 51.67 1sr2 n ASP 800 Cb 0.55 -1.48 0.09 0.00 -1.03 0.00 0.00 41.12 39.25 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 5.54 1.27 -0.37 0.11 5.08 -1.97 0.23 114.58 124.46 1sr2 h GLU 801 Ca 0.48 -0.13 -0.04 0.00 -1.00 0.00 0.00 59.36 58.67 1sr2 h GLU 801 Cb 0.56 -0.26 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 1sr2 h GLU 801 CO 1.64 0.90 0.09 -0.97 -1.00 0.00 0.00 179.01 179.67 1sr2 h ASN 802 N 1.28 0.57 -0.45 1.42 -1.24 -1.99 0.14 115.58 115.31 1sr2 h ASN 802 Ca 0.33 -0.23 -0.06 0.00 0.71 0.00 0.00 56.30 57.04 1sr2 h ASN 802 Cb -0.02 -0.15 -0.02 0.00 0.73 0.00 0.00 38.32 38.87 1sr2 h ASN 802 CO -0.06 0.65 0.04 0.00 -1.29 0.00 0.00 177.43 176.78 1sr2 h ALA 803 N 0.93 0.60 -0.41 1.57 0.00 -1.86 -0.42 119.26 119.67 1sr2 h ALA 803 Ca 0.12 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1sr2 h ALA 803 Cb 0.31 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1sr2 h ALA 803 CO 0.00 0.36 0.27 0.37 0.00 0.00 0.00 179.25 180.25 1sr2 h GLN 804 N 0.62 0.55 -0.06 0.00 4.15 -0.37 0.44 115.11 120.44 1sr2 h GLN 804 Ca 0.13 -0.04 -0.07 0.00 0.77 0.00 0.00 58.65 59.44 1sr2 h GLN 804 Cb 0.44 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 27.99 1sr2 h GLN 804 CO 0.02 0.38 -0.28 1.25 -1.93 0.00 0.00 178.83 178.26 1sr2 h LEU 805 N 0.55 0.10 0.14 -2.39 5.85 -0.57 -1.78 115.31 117.22 1sr2 h LEU 805 Ca 0.15 -0.03 -0.28 0.00 0.84 0.00 0.00 57.88 58.56 1sr2 h LEU 805 Cb -0.04 -0.03 0.03 0.00 0.37 0.00 0.00 40.66 40.99 1sr2 h LEU 805 CO -0.03 0.39 -1.17 -0.74 -0.34 0.00 0.00 178.44 176.54 1sr2 h HIS 806 N 0.09 0.90 -0.46 1.25 2.76 -0.50 -2.98 115.15 116.22 1sr2 h HIS 806 Ca 0.01 -0.60 -0.05 0.00 -2.20 0.00 0.00 60.37 57.53 1sr2 h HIS 806 Cb 0.55 -0.06 -0.02 0.00 1.55 0.00 0.00 27.41 29.43 1sr2 h HIS 806 CO 0.00 1.44 0.06 0.00 -1.30 0.00 0.00 177.93 178.14 1sr2 h ALA 807 N 0.22 1.25 -0.11 5.26 0.00 0.09 -2.03 119.26 123.95 1sr2 h ALA 807 Ca -0.19 -0.21 -0.14 0.00 0.00 0.00 0.00 54.91 54.38 1sr2 h ALA 807 Cb 1.88 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 19.47 1sr2 h ALA 807 CO 0.22 0.51 -0.53 0.66 0.00 0.00 0.00 179.25 180.12 1sr2 h SER 808 N 0.68 0.33 0.00 0.00 4.64 -1.42 -3.47 113.55 114.32 1sr2 h SER 808 Ca 0.15 -0.17 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1sr2 h SER 808 Cb 0.33 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 1sr2 h SER 808 CO 0.01 0.80 0.00 0.61 -0.87 0.00 0.00 176.83 177.37 1sr2 n GLY 809 N 0.11 0.18 0.57 -0.77 0.00 -0.76 -4.93 105.19 99.59 1sr2 n GLY 809 Ca -0.02 0.00 0.00 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 -1.91 0.05 0.15 1.61 4.01 -1.20 -3.71 117.16 116.17 1sr2 n TYR 810 Ca 0.00 -0.06 0.05 0.00 -0.16 0.00 0.00 57.90 57.74 1sr2 n TYR 810 Cb 0.00 -0.12 0.50 0.00 -0.31 0.00 0.00 39.34 39.41 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 0.09 0.19 -0.93 -0.72 5.03 -1.87 -2.33 116.97 116.43 1sr2 h TYR 811 Ca 0.00 -0.00 0.03 0.00 2.58 0.00 0.00 58.73 61.34 1sr2 h TYR 811 Cb 0.57 -0.06 -0.05 0.00 1.55 0.00 0.00 36.73 38.74 1sr2 h TYR 811 CO 0.03 0.20 0.61 0.00 -1.32 0.00 0.00 178.16 177.68 1sr2 h ALA 812 N 1.82 1.23 -0.70 1.82 0.00 -1.92 -1.47 119.26 120.05 1sr2 h ALA 812 Ca 0.05 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 1sr2 h ALA 812 Cb 0.12 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 1sr2 h ALA 812 CO 0.00 0.49 0.21 -0.07 0.00 0.00 0.00 179.25 179.88 1sr2 h LEU 813 N 1.19 1.02 -0.60 0.00 3.38 -1.73 -2.04 115.31 116.53 1sr2 h LEU 813 Ca 0.37 -0.21 -0.07 0.00 0.09 0.00 0.00 57.88 58.06 1sr2 h LEU 813 Cb -0.02 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.44 1sr2 h LEU 813 CO -0.11 0.96 0.12 0.15 0.09 0.00 0.00 178.44 179.65 1sr2 h PHE 814 N 1.02 1.04 -0.43 1.13 3.57 -1.29 -1.90 116.94 120.08 1sr2 h PHE 814 Ca 0.22 -0.14 0.00 0.00 3.53 0.00 0.00 57.97 61.59 1sr2 h PHE 814 Cb 0.31 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 38.77 1sr2 h PHE 814 CO 0.02 0.89 0.00 1.33 -2.23 0.00 0.00 178.31 178.32 1sr2 n VAL 815 N -4.32 0.74 0.00 1.41 0.24 -0.62 -3.45 118.33 112.32 1sr2 n VAL 815 Ca 0.03 -0.63 -0.01 0.00 -2.04 0.00 0.00 64.34 61.69 1sr2 n VAL 815 Cb 0.26 0.20 -0.00 0.00 -1.47 0.00 0.00 33.84 32.83 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 0.74 0.55 0.08 -1.34 2.03 -0.78 -4.83 116.55 113.00 1sr2 n ASP 816 Ca 0.15 0.08 -0.15 0.00 0.52 0.00 0.00 54.79 55.39 1sr2 n ASP 816 Cb 0.43 -0.30 -0.14 0.00 -0.72 0.00 0.00 41.12 40.40 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 -0.14 1.40 0.26 5.18 1.03 -1.56 -3.35 112.91 115.74 1sr2 h THR 817 Ca 0.00 -3.02 -0.01 0.00 -0.01 0.00 0.00 66.41 63.37 1sr2 h THR 817 Cb 0.14 2.86 0.00 0.00 -1.07 0.00 0.00 68.15 70.08 1sr2 h THR 817 CO 0.00 0.87 -0.13 0.58 -0.01 0.00 0.00 175.52 176.83 1sr2 h VAL 818 N 0.06 0.75 -0.97 0.00 2.07 -1.67 0.49 116.25 116.97 1sr2 h VAL 818 Ca -0.16 -0.03 0.07 0.00 0.82 0.00 0.00 66.70 67.40 1sr2 h VAL 818 Cb 1.96 0.77 -0.07 0.00 -1.52 0.00 0.00 31.29 32.43 1sr2 h VAL 818 CO 0.18 0.01 0.63 1.55 0.02 0.00 0.00 177.57 179.95 1sr2 h PRO 819 N -0.37 1.09 -0.14 1.57 0.13 -1.75 0.08 132.00 132.61 1sr2 h PRO 819 Ca -0.04 -0.07 -0.18 0.00 -0.87 0.00 0.00 66.00 64.84 1sr2 h PRO 819 Cb 0.28 -0.25 0.01 0.00 0.13 0.00 0.00 31.00 31.18 1sr2 h PRO 819 CO 0.06 0.72 -0.63 0.22 -0.23 0.00 0.00 178.00 178.14 1sr2 h ASP 820 N 1.12 0.80 -0.53 1.44 3.58 -1.56 -1.51 116.42 119.75 1sr2 h ASP 820 Ca 0.42 -0.63 -0.02 0.00 0.42 0.00 0.00 57.03 57.22 1sr2 h ASP 820 Cb 0.19 -0.24 -0.02 0.00 1.72 0.00 0.00 39.33 40.98 1sr2 h ASP 820 CO -0.17 1.29 0.24 0.44 -2.88 0.00 0.00 179.24 178.17 1sr2 h ASP 821 N 0.35 0.70 -0.58 2.28 5.19 0.30 0.26 116.42 124.93 1sr2 h ASP 821 Ca -0.04 -0.14 -0.02 0.00 -0.62 0.00 0.00 57.03 56.22 1sr2 h ASP 821 Cb 1.27 -0.18 -0.03 0.00 0.18 0.00 0.00 39.33 40.57 1sr2 h ASP 821 CO 0.13 0.65 0.30 0.58 -3.12 0.00 0.00 179.24 177.78 1sr2 h VAL 822 N 0.71 1.20 -0.42 -1.35 2.07 -0.99 0.82 116.25 118.29 1sr2 h VAL 822 Ca 0.18 -0.52 -0.03 0.00 0.82 0.00 0.00 66.70 67.14 1sr2 h VAL 822 Cb 0.14 0.49 -0.02 0.00 -1.52 0.00 0.00 31.29 30.38 1sr2 h VAL 822 CO -0.02 0.22 0.14 0.50 0.02 0.00 0.00 177.57 178.42 1sr2 h LYS 823 N 0.78 0.65 -0.70 1.57 3.64 -0.82 -1.21 116.57 120.47 1sr2 h LYS 823 Ca 0.20 -0.14 -0.04 0.00 -1.27 0.00 0.00 60.65 59.41 1sr2 h LYS 823 Cb 0.08 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 31.77 1sr2 h LYS 823 CO -0.03 0.64 0.29 0.00 -2.27 0.00 0.00 179.45 178.07 1sr2 h ARG 824 N 0.54 1.03 -0.56 1.90 3.08 -0.26 -0.25 114.38 119.86 1sr2 h ARG 824 Ca 0.14 -0.17 0.06 0.00 0.07 0.00 0.00 59.98 60.08 1sr2 h ARG 824 Cb 0.25 -0.18 -0.05 0.00 0.08 0.00 0.00 29.97 30.07 1sr2 h ARG 824 CO -0.01 0.83 0.26 -0.07 -1.07 0.00 0.00 179.97 179.92 1sr2 h LEU 825 N 1.01 0.35 -0.44 3.04 3.38 -0.45 0.64 115.31 122.85 1sr2 h LEU 825 Ca 0.24 0.04 0.02 0.00 0.09 0.00 0.00 57.88 58.27 1sr2 h LEU 825 Cb 0.18 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 1sr2 h LEU 825 CO -0.02 0.24 0.26 1.88 0.09 0.00 0.00 178.44 180.89 1sr2 h TYR 826 N 0.50 0.49 -0.34 1.13 0.05 -0.29 0.77 116.97 119.28 1sr2 h TYR 826 Ca 0.26 0.01 -0.03 0.00 0.05 0.00 0.00 58.73 59.02 1sr2 h TYR 826 Cb 0.21 -0.16 -0.01 0.00 1.01 0.00 0.00 36.73 37.78 1sr2 h TYR 826 CO -0.12 0.29 0.09 1.15 -1.05 0.00 0.00 178.16 178.53 1sr2 h THR 827 N 0.53 1.21 0.00 -2.88 2.02 -0.35 -1.91 112.91 111.53 1sr2 h THR 827 Ca 0.17 -0.71 -0.09 0.00 0.77 0.00 0.00 66.41 66.56 1sr2 h THR 827 Cb -0.00 1.04 -0.01 0.00 -1.74 0.00 0.00 68.15 67.44 1sr2 h THR 827 CO -0.07 0.24 -0.43 -0.33 0.37 0.00 0.00 175.52 175.29 1sr2 h GLU 828 N 0.39 0.00 -0.74 6.66 4.39 -0.80 -2.71 114.58 121.78 1sr2 h GLU 828 Ca 0.11 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.75 1sr2 h GLU 828 Cb 0.27 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.89 1sr2 h GLU 828 CO -0.00 0.43 0.23 0.00 -1.16 0.00 0.00 179.01 178.51 1sr2 h ALA 829 N 1.57 1.02 -0.37 3.43 0.00 -0.55 0.11 119.26 124.47 1sr2 h ALA 829 Ca -0.00 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 1sr2 h ALA 829 Cb 1.16 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 1sr2 h ALA 829 CO 0.06 0.66 0.14 0.00 0.00 0.00 0.00 179.25 180.10 1sr2 h ALA 830 N 1.16 1.55 -0.01 0.00 0.00 -1.04 -0.93 119.26 119.99 1sr2 h ALA 830 Ca 0.24 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1sr2 h ALA 830 Cb 0.30 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1sr2 h ALA 830 CO -0.01 0.35 -0.07 0.25 0.00 0.00 0.00 179.25 179.77 1sr2 n THR 831 N -4.38 0.00 -2.22 0.00 -2.24 -0.88 -4.90 114.28 99.66 1sr2 n THR 831 Ca 0.02 -0.09 -0.17 0.00 -2.27 0.00 0.00 64.05 61.54 1sr2 n THR 831 Cb 0.15 -0.05 -0.02 0.00 -2.10 0.00 0.00 70.33 68.31 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 -0.74 -5.07 -4.09 3.42 7.64 -0.36 -4.90 113.62 109.52 1sr2 n SER 832 Ca 0.17 0.04 -0.43 0.00 1.01 0.00 0.00 58.87 59.67 1sr2 n SER 832 Cb 0.26 -4.15 0.00 0.00 -1.01 0.00 0.00 64.21 59.32 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 -1.23 4.79 0.28 6.43 -0.08 0.28 -4.75 116.55 122.27 1sr2 n ASP 833 Ca -0.20 -2.98 0.15 0.00 -1.51 0.00 0.00 54.79 50.25 1sr2 n ASP 833 Cb 0.64 -1.59 0.81 0.00 2.34 0.00 0.00 41.12 43.32 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 6.43 0.00 -0.53 -0.67 0.04 -1.91 0.47 116.94 120.77 1sr2 h PHE 834 Ca 0.43 0.00 -0.11 0.00 2.80 0.00 0.00 57.97 61.09 1sr2 h PHE 834 Cb 0.73 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.86 1sr2 h PHE 834 CO 1.30 0.08 -0.11 0.00 -0.60 0.00 0.00 178.31 178.98 1sr2 h ALA 835 N 1.92 0.80 -0.01 2.45 0.00 -1.97 0.18 119.26 122.64 1sr2 h ALA 835 Ca -0.00 -0.35 -0.21 0.00 0.00 0.00 0.00 54.91 54.35 1sr2 h ALA 835 Cb 0.30 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 1sr2 h ALA 835 CO 0.01 0.66 -0.90 0.00 0.00 0.00 0.00 179.25 179.03 1sr2 h ALA 836 N 0.97 0.43 -0.37 0.00 0.00 -1.63 -2.13 119.26 116.54 1sr2 h ALA 836 Ca 0.14 -0.70 0.03 0.00 0.00 0.00 0.00 54.91 54.38 1sr2 h ALA 836 Cb 0.67 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 1sr2 h ALA 836 CO 0.05 0.83 0.17 -0.07 0.00 0.00 0.00 179.25 180.23 1sr2 h LEU 837 N 0.21 0.22 -0.62 0.00 4.07 -0.79 0.48 115.31 118.89 1sr2 h LEU 837 Ca -0.06 0.03 -0.02 0.00 0.08 0.00 0.00 57.88 57.90 1sr2 h LEU 837 Cb 1.52 -0.01 -0.03 0.00 1.08 0.00 0.00 40.66 43.22 1sr2 h LEU 837 CO 0.15 0.17 0.30 0.00 -1.08 0.00 0.00 178.44 177.98 1sr2 h ALA 838 N 1.21 0.80 -0.31 1.53 0.00 -0.88 0.13 119.26 121.74 1sr2 h ALA 838 Ca 0.16 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1sr2 h ALA 838 Cb 0.10 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1sr2 h ALA 838 CO -0.13 0.36 0.20 1.96 0.00 0.00 0.00 179.25 181.63 1sr2 h GLN 839 N 0.85 0.41 -0.41 0.00 1.08 -0.93 0.21 115.11 116.31 1sr2 h GLN 839 Ca 0.21 -0.03 -0.13 0.00 -1.45 0.00 0.00 58.65 57.25 1sr2 h GLN 839 Cb 0.12 -0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 27.44 1sr2 h GLN 839 CO -0.03 0.28 -0.28 1.15 -0.95 0.00 0.00 178.83 179.01 1sr2 h THR 840 N 0.41 1.27 -0.59 -0.54 2.02 -0.71 -0.36 112.91 114.41 1sr2 h THR 840 Ca 0.11 -1.43 -0.06 0.00 0.77 0.00 0.00 66.41 65.80 1sr2 h THR 840 Cb -0.03 1.25 -0.03 0.00 -1.74 0.00 0.00 68.15 67.60 1sr2 h THR 840 CO -0.02 0.48 0.12 0.00 0.37 0.00 0.00 175.52 176.47 1sr2 h ALA 841 N 0.93 1.11 -0.71 6.16 0.00 -0.51 0.68 119.26 126.92 1sr2 h ALA 841 Ca 0.09 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.71 1sr2 h ALA 841 Cb 0.83 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 1sr2 h ALA 841 CO 0.07 0.59 0.21 1.25 0.00 0.00 0.00 179.25 181.37 1sr2 h HIS 842 N 0.88 1.14 -0.36 0.00 6.17 -0.29 0.21 115.15 122.90 1sr2 h HIS 842 Ca 0.19 -0.12 -0.03 0.00 0.71 0.00 0.00 60.37 61.12 1sr2 h HIS 842 Cb 0.35 -0.33 -0.01 0.00 2.52 0.00 0.00 27.41 29.93 1sr2 h HIS 842 CO 0.02 0.91 0.09 -0.09 0.71 0.00 0.00 177.93 179.58 1sr2 h ARG 843 N 1.06 0.57 -0.56 5.26 2.43 -0.38 -1.49 114.38 121.27 1sr2 h ARG 843 Ca 0.23 -0.13 -0.05 0.00 -0.81 0.00 0.00 59.98 59.22 1sr2 h ARG 843 Cb 0.32 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.77 1sr2 h ARG 843 CO -0.01 0.61 0.16 -0.07 -1.51 0.00 0.00 179.97 179.15 1sr2 h LEU 844 N 0.43 0.82 -0.68 3.80 3.38 -0.66 -1.70 115.31 120.71 1sr2 h LEU 844 Ca 0.11 -0.22 0.08 0.00 0.09 0.00 0.00 57.88 57.94 1sr2 h LEU 844 Cb 0.29 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 40.76 1sr2 h LEU 844 CO -0.00 0.83 0.35 0.50 0.09 0.00 0.00 178.44 180.21 1sr2 h LYS 845 N 0.78 0.60 0.04 1.13 3.64 -0.84 -0.91 116.57 121.02 1sr2 h LYS 845 Ca 0.18 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.52 1sr2 h LYS 845 Cb 0.31 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.99 1sr2 h LYS 845 CO -0.00 0.40 -0.02 0.78 -2.27 0.00 0.00 179.45 178.34 1sr2 h GLY 846 N 0.62 -0.06 1.18 5.01 0.00 -0.66 -0.50 103.07 108.65 1sr2 h GLY 846 Ca 0.32 0.02 -0.12 0.00 0.00 0.00 0.00 47.33 47.56 1sr2 h GLY 846 CO -0.23 -0.02 -0.16 -0.39 0.00 0.00 0.00 176.54 175.74 1sr2 h VAL 847 N -0.12 1.27 -0.59 4.60 -1.51 -1.09 0.19 116.25 119.00 1sr2 h VAL 847 Ca -0.01 -1.31 -0.07 0.00 -1.23 0.00 0.00 66.70 64.09 1sr2 h VAL 847 Cb 0.10 1.06 -0.02 0.00 -2.13 0.00 0.00 31.29 30.30 1sr2 h VAL 847 CO 0.01 0.45 0.09 -0.26 -1.23 0.00 0.00 177.57 176.63 1sr2 h PHE 848 N 0.84 1.05 -0.35 5.19 0.04 -1.12 -0.36 116.94 122.22 1sr2 h PHE 848 Ca 0.12 -0.15 -0.09 0.00 2.80 0.00 0.00 57.97 60.65 1sr2 h PHE 848 Cb 0.72 -0.29 -0.02 0.00 2.20 0.00 0.00 35.95 38.56 1sr2 h PHE 848 CO 0.04 0.91 -0.17 0.00 -0.60 0.00 0.00 178.31 178.50 1sr2 h ALA 849 N 1.01 1.05 -0.46 2.45 0.00 -0.83 0.29 119.26 122.77 1sr2 h ALA 849 Ca 0.18 -0.32 -0.07 0.00 0.00 0.00 0.00 54.91 54.70 1sr2 h ALA 849 Cb 0.43 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1sr2 h ALA 849 CO 0.01 0.57 0.03 1.98 0.00 0.00 0.00 179.25 181.85 1sr2 h MET 850 N 0.58 0.80 0.00 0.00 1.85 -0.13 -2.32 114.93 115.71 1sr2 h MET 850 Ca 0.09 -0.24 0.00 0.00 -0.61 0.00 0.00 59.70 58.95 1sr2 h MET 850 Cb 0.61 -0.08 0.00 0.00 0.43 0.00 0.00 31.60 32.56 1sr2 h MET 850 CO 0.04 0.84 -0.23 1.28 -0.40 0.00 0.00 176.91 178.43 1sr2 n LEU 851 N -4.40 0.25 -3.25 3.39 4.77 -0.19 -4.94 117.00 112.63 1sr2 n LEU 851 Ca 0.00 0.27 -0.20 0.00 -0.03 0.00 0.00 56.01 56.06 1sr2 n LEU 851 Cb 0.28 -0.38 0.07 0.00 -2.33 0.00 0.00 43.42 41.07 1sr2 n LEU 851 CO 0.41 0.05 0.20 -3.20 -1.33 0.00 0.00 177.39 173.52 1sr2 n ASN 852 N -1.52 -5.05 -4.55 -1.43 2.85 0.75 -4.89 115.26 101.42 1sr2 n ASN 852 Ca 0.06 -0.50 -0.43 0.00 -0.11 0.00 0.00 54.58 53.61 1sr2 n ASN 852 Cb 0.34 -4.58 -0.01 0.00 1.24 0.00 0.00 39.78 36.77 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 -6.48 4.02 0.11 1.20 1.43 0.35 -4.91 118.68 114.40 1sr2 s LEU 853 Ca 0.41 -2.29 -0.27 0.00 -1.03 0.00 0.00 54.13 50.94 1sr2 s LEU 853 Cb -0.18 -2.54 -0.09 0.00 0.03 0.00 0.00 46.19 43.41 1sr2 s LEU 853 CO 0.65 -1.17 1.46 0.58 0.23 0.00 0.00 176.35 178.10 1sr2 h VAL 854 N 5.71 0.00 -0.73 -1.59 2.07 -1.91 0.58 116.25 120.38 1sr2 h VAL 854 Ca 0.36 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.92 1sr2 h VAL 854 Cb 0.91 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.63 1sr2 h VAL 854 CO 1.40 0.00 0.45 -0.65 0.02 0.00 0.00 177.57 178.79 1sr2 h PRO 855 N -0.32 0.83 -0.38 1.57 0.11 -1.99 0.65 132.00 132.48 1sr2 h PRO 855 Ca 0.06 -0.05 -0.13 0.00 0.11 0.00 0.00 66.00 66.00 1sr2 h PRO 855 Cb 0.49 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.40 1sr2 h PRO 855 CO -0.51 0.55 -0.28 0.78 -0.21 0.00 0.00 178.00 178.33 1sr2 h GLY 856 N 0.86 0.87 1.39 -0.55 0.00 -1.77 -1.30 103.07 102.56 1sr2 h GLY 856 Ca 0.30 -0.79 -0.11 0.00 0.00 0.00 0.00 47.33 46.73 1sr2 h GLY 856 CO -0.13 0.72 -0.25 1.70 0.00 0.00 0.00 176.54 178.58 1sr2 h LYS 857 N 0.68 0.70 -0.46 4.80 3.64 0.71 -1.65 116.57 124.98 1sr2 h LYS 857 Ca 0.08 -0.29 -0.06 0.00 -1.27 0.00 0.00 60.65 59.11 1sr2 h LYS 857 Cb 0.81 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.58 1sr2 h LYS 857 CO 0.07 0.88 0.03 1.96 -2.27 0.00 0.00 179.45 180.12 1sr2 h GLN 858 N 0.61 0.74 -0.13 1.90 1.08 -0.71 -1.17 115.11 117.43 1sr2 h GLN 858 Ca 0.08 -0.18 -0.01 0.00 -1.45 0.00 0.00 58.65 57.09 1sr2 h GLN 858 Cb 0.74 -0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 28.07 1sr2 h GLN 858 CO 0.06 0.74 0.06 -0.07 -0.95 0.00 0.00 178.83 178.66 1sr2 h LEU 859 N 0.70 0.18 -0.95 1.46 3.38 -0.62 -1.98 115.31 117.48 1sr2 h LEU 859 Ca 0.14 -0.15 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 1sr2 h LEU 859 Cb 0.40 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 1sr2 h LEU 859 CO 0.01 0.28 -0.35 0.00 0.09 0.00 0.00 178.44 178.47 1sr2 h GLU 861 N 0.00 -0.49 -0.25 0.00 4.39 -0.94 0.17 114.58 117.46 1sr2 h GLU 861 Ca -0.00 0.03 -0.09 0.00 0.34 0.00 0.00 59.36 59.64 1sr2 h GLU 861 Cb 0.88 0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.63 1sr2 h GLU 861 CO 0.05 -0.30 -0.23 1.15 -1.16 0.00 0.00 179.01 178.52 1sr2 h THR 862 N -0.56 1.26 -0.05 1.13 2.02 -1.20 -2.21 112.91 113.30 1sr2 h THR 862 Ca -0.05 -1.22 0.01 0.00 0.77 0.00 0.00 66.41 65.92 1sr2 h THR 862 Cb 0.42 1.33 -0.01 0.00 -1.74 0.00 0.00 68.15 68.15 1sr2 h THR 862 CO 0.09 0.39 -0.03 0.25 0.37 0.00 0.00 175.52 176.59 1sr2 h LEU 863 N 0.41 -0.08 -0.88 2.58 6.46 -0.72 0.23 115.31 123.32 1sr2 h LEU 863 Ca 0.06 0.02 0.08 0.00 -0.12 0.00 0.00 57.88 57.92 1sr2 h LEU 863 Cb 0.64 0.05 -0.07 0.00 -0.73 0.00 0.00 40.66 40.55 1sr2 h LEU 863 CO 0.05 -0.04 0.54 -0.33 -0.62 0.00 0.00 178.44 178.03 1sr2 h GLU 864 N -0.02 0.91 -0.60 1.25 5.08 -0.39 0.22 114.58 121.03 1sr2 h GLU 864 Ca 0.03 -0.05 -0.09 0.00 -1.00 0.00 0.00 59.36 58.24 1sr2 h GLU 864 Cb 0.07 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.09 1sr2 h GLU 864 CO -0.07 0.60 0.01 1.25 -1.00 0.00 0.00 179.01 179.81 1sr2 h HIS 865 N 0.94 1.13 -0.00 4.33 2.76 -0.97 -1.61 115.15 121.72 1sr2 h HIS 865 Ca 0.40 -0.18 -0.10 0.00 -2.20 0.00 0.00 60.37 58.28 1sr2 h HIS 865 Cb 0.25 -0.30 -0.01 0.00 1.55 0.00 0.00 27.41 28.90 1sr2 h HIS 865 CO -0.03 0.99 -0.47 -0.07 -1.30 0.00 0.00 177.93 177.04 1sr2 h LEU 866 N 0.96 0.01 -0.35 0.26 3.38 1.00 -0.46 115.31 120.11 1sr2 h LEU 866 Ca 0.17 -0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.04 1sr2 h LEU 866 Cb 0.53 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 1sr2 h LEU 866 CO 0.03 0.48 -0.17 0.40 0.09 0.00 0.00 178.44 179.27 1sr2 h ILE 867 N 0.01 1.29 -0.36 1.22 1.08 -0.37 0.69 117.51 121.07 1sr2 h ILE 867 Ca -0.00 -1.28 -0.05 0.00 -0.39 0.00 0.00 64.86 63.13 1sr2 h ILE 867 Cb 0.84 1.38 -0.02 0.00 -3.07 0.00 0.00 36.82 35.95 1sr2 h ILE 867 CO 0.06 0.42 -0.01 0.08 -0.69 0.00 0.00 178.15 178.01 1sr2 h ARG 868 N 0.50 0.56 -0.00 2.37 -0.00 -0.86 -1.90 114.38 115.05 1sr2 h ARG 868 Ca 0.08 -0.13 0.00 0.00 -0.00 0.00 0.00 59.98 59.93 1sr2 h ARG 868 Cb 0.70 -0.08 0.00 0.00 -0.00 0.00 0.00 29.97 30.59 1sr2 h ARG 868 CO 0.05 0.59 -0.31 0.39 -0.00 0.00 0.00 179.97 180.69 1sr2 n GLU 869 N -4.27 0.17 -3.60 0.08 -0.58 -0.22 -4.94 120.64 107.28 1sr2 n GLU 869 Ca 0.02 -0.08 -0.23 0.00 -0.42 0.00 0.00 57.16 56.45 1sr2 n GLU 869 Cb 0.26 -1.50 0.08 0.00 -0.57 0.00 0.00 31.44 29.70 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 -7.47 -2.75 3.49 5.02 0.04 -4.91 118.16 110.23 1sr2 n LYS 870 Ca 0.08 0.81 -0.43 0.00 -2.02 0.00 0.00 58.31 56.75 1sr2 n LYS 870 Cb 0.33 -5.84 -0.01 0.00 -0.02 0.00 0.00 35.03 29.49 1sr2 n LYS 870 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1sr2 s ASP 871 N -3.53 6.78 0.15 4.39 -1.08 -0.10 -4.89 116.67 118.39 1sr2 s ASP 871 Ca 0.47 -2.29 -0.25 0.00 -0.52 0.00 0.00 52.55 49.97 1sr2 s ASP 871 Cb -0.21 -2.49 0.01 0.00 -1.46 0.00 0.00 42.92 38.76 1sr2 s ASP 871 CO 0.74 -1.11 1.60 0.58 0.52 0.00 0.00 175.17 177.51 1sr2 h VAL 872 N 5.66 0.25 -0.69 1.11 2.07 -1.91 0.60 116.25 123.33 1sr2 h VAL 872 Ca 0.29 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.88 1sr2 h VAL 872 Cb 0.94 0.25 -0.06 0.00 -1.52 0.00 0.00 31.29 30.90 1sr2 h VAL 872 CO 1.32 0.00 0.38 1.55 0.02 0.00 0.00 177.57 180.84 1sr2 h PRO 873 N -0.35 0.68 -0.51 1.57 0.13 -1.99 0.15 132.00 131.68 1sr2 h PRO 873 Ca 0.12 -0.04 -0.05 0.00 -0.87 0.00 0.00 66.00 65.16 1sr2 h PRO 873 Cb 0.55 -0.15 -0.02 0.00 0.13 0.00 0.00 31.00 31.51 1sr2 h PRO 873 CO -0.43 0.45 0.12 0.78 -0.23 0.00 0.00 178.00 178.68 1sr2 h GLY 874 N 0.70 0.88 0.82 1.56 0.00 -1.72 -0.06 103.07 105.24 1sr2 h GLY 874 Ca 0.31 -0.56 0.01 0.00 0.00 0.00 0.00 47.33 47.10 1sr2 h GLY 874 CO -0.19 0.52 -0.06 -2.22 0.00 0.00 0.00 176.54 174.59 1sr2 h ILE 875 N 0.70 0.84 -0.28 2.60 2.04 0.76 0.22 117.51 124.39 1sr2 h ILE 875 Ca 0.16 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.06 1sr2 h ILE 875 Cb 0.34 0.84 -0.04 0.00 -0.74 0.00 0.00 36.82 37.22 1sr2 h ILE 875 CO 0.00 0.00 0.05 -0.33 0.00 0.00 0.00 178.15 177.87 1sr2 h GLU 876 N -0.10 0.15 -0.05 2.37 5.08 -0.57 0.24 114.58 121.70 1sr2 h GLU 876 Ca 0.03 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1sr2 h GLU 876 Cb 0.14 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.35 1sr2 h GLU 876 CO -0.08 0.10 0.03 -0.22 -1.00 0.00 0.00 179.01 177.84 1sr2 h LYS 877 N 0.15 0.06 -0.09 2.33 1.63 -0.71 -1.40 116.57 118.55 1sr2 h LYS 877 Ca 0.13 -0.01 -0.16 0.00 -0.85 0.00 0.00 60.65 59.77 1sr2 h LYS 877 Cb 0.14 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 31.75 1sr2 h LYS 877 CO -0.18 0.09 -0.63 1.88 -3.45 0.00 0.00 179.45 177.16 1sr2 h TYR 878 N 0.02 0.44 -0.59 1.91 -1.99 -0.31 0.18 116.97 116.63 1sr2 h TYR 878 Ca 0.02 -0.17 -0.02 0.00 2.00 0.00 0.00 58.73 60.56 1sr2 h TYR 878 Cb 0.05 -0.08 -0.03 0.00 2.00 0.00 0.00 36.73 38.67 1sr2 h TYR 878 CO -0.06 0.88 0.30 0.82 -0.00 0.00 0.00 178.16 180.10 1sr2 h ILE 879 N 0.25 1.20 -0.09 -2.88 2.04 -0.46 0.74 117.51 118.31 1sr2 h ILE 879 Ca -0.01 -0.53 -0.09 0.00 1.00 0.00 0.00 64.86 65.22 1sr2 h ILE 879 Cb 1.17 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 37.71 1sr2 h ILE 879 CO 0.10 0.22 -0.36 0.28 0.00 0.00 0.00 178.15 178.39 1sr2 h SER 880 N 0.80 0.18 -0.22 1.72 0.02 -0.85 -0.71 113.55 114.49 1sr2 h SER 880 Ca 0.20 -0.07 -0.16 0.00 -0.84 0.00 0.00 61.79 60.92 1sr2 h SER 880 Cb 0.08 -0.05 -0.00 0.00 0.14 0.00 0.00 62.40 62.56 1sr2 h SER 880 CO -0.03 0.54 -0.46 0.44 -1.14 0.00 0.00 176.83 176.17 1sr2 h ASP 881 N 0.15 0.86 -0.09 3.07 5.19 -0.06 0.54 116.42 126.09 1sr2 h ASP 881 Ca 0.02 -0.42 -0.13 0.00 -0.62 0.00 0.00 57.03 55.88 1sr2 h ASP 881 Cb 0.72 -0.24 -0.01 0.00 0.18 0.00 0.00 39.33 39.97 1sr2 h ASP 881 CO 0.05 1.19 -0.37 0.40 -3.12 0.00 0.00 179.24 177.39 1sr2 h ILE 882 N 0.63 1.29 -0.16 0.35 2.04 -0.69 -1.17 117.51 119.80 1sr2 h ILE 882 Ca 0.04 -1.52 -0.15 0.00 1.00 0.00 0.00 64.86 64.23 1sr2 h ILE 882 Cb 1.04 1.49 0.00 0.00 -0.74 0.00 0.00 36.82 38.61 1sr2 h ILE 882 CO 0.10 0.48 -0.50 -0.78 0.00 0.00 0.00 178.15 177.46 1sr2 h ASP 883 N 0.50 0.71 0.27 1.72 3.58 -0.84 -2.35 116.42 120.02 1sr2 h ASP 883 Ca 0.05 -0.60 -0.04 0.00 0.42 0.00 0.00 57.03 56.86 1sr2 h ASP 883 Cb 0.87 -0.21 -0.01 0.00 1.72 0.00 0.00 39.33 41.70 1sr2 h ASP 883 CO 0.07 1.19 -0.20 0.77 -2.88 0.00 0.00 179.24 178.19 1sr2 h SER 884 N 0.28 0.00 0.08 2.28 4.64 0.10 0.46 113.55 121.38 1sr2 h SER 884 Ca -0.02 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 61.32 1sr2 h SER 884 Cb 1.12 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.18 1sr2 h SER 884 CO 0.11 0.20 -0.20 0.22 -0.87 0.00 0.00 176.83 176.28 1sr2 h TYR 885 N 0.00 -0.53 -0.11 4.77 3.20 -0.76 0.92 116.97 124.45 1sr2 h TYR 885 Ca -0.00 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.83 1sr2 h TYR 885 Cb 0.39 0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.87 1sr2 h TYR 885 CO 0.00 -0.29 -0.17 -0.39 -1.64 0.00 0.00 178.16 175.66 1sr2 h VAL 886 N -0.37 1.18 0.00 1.81 -1.51 -0.73 -1.87 116.25 114.77 1sr2 h VAL 886 Ca 0.04 -0.83 -0.00 0.00 -1.23 0.00 0.00 66.70 64.67 1sr2 h VAL 886 Cb 0.40 1.30 -0.00 0.00 -2.13 0.00 0.00 31.29 30.86 1sr2 h VAL 886 CO -0.14 0.25 -0.02 0.11 -1.23 0.00 0.00 177.57 176.55 1sr2 h LYS 887 N 0.16 0.00 0.01 5.19 1.79 0.85 0.36 116.57 124.94 1sr2 h LYS 887 Ca 0.03 0.00 -0.30 0.00 -2.18 0.00 0.00 60.65 58.21 1sr2 h LYS 887 Cb 0.41 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 31.01 1sr2 h LYS 887 CO 0.03 0.02 -1.72 -1.13 -1.08 0.00 0.00 179.45 175.56 1sr2 n SER 888 N -3.13 0.97 -0.06 0.86 3.41 0.22 -4.48 113.62 111.41 1sr2 n SER 888 Ca 0.00 0.41 -0.13 0.00 -0.26 0.00 0.00 58.87 58.89 1sr2 n SER 888 Cb 0.30 -0.13 -0.12 0.00 -0.26 0.00 0.00 64.21 64.01 1sr2 n SER 888 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1sr2 h LEU 889 N 0.01 -0.00 -1.01 1.04 3.38 -0.75 -3.52 115.31 114.45 1sr2 h LEU 889 Ca -0.29 -0.87 0.00 0.00 0.09 0.00 0.00 57.88 56.80 1sr2 h LEU 889 Cb 2.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.77 1sr2 h LEU 889 CO 0.08 0.91 0.00 0.00 0.09 0.00 0.00 178.44 179.52