#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x86 s PRO 767 N 0.00 4.23 1.04 0.54 0.04 -1.26 -5.07 135.00 134.52 1x86 s PRO 767 Ca 0.00 0.24 -0.25 0.00 0.04 0.00 0.00 61.00 61.03 1x86 s PRO 767 Cb 0.00 -3.49 -0.09 0.00 0.04 0.00 0.00 34.50 30.96 1x86 s PRO 767 CO 0.00 0.07 -1.02 0.27 0.04 0.00 0.00 177.00 176.36 1x86 n ASN 768 N 4.10 -2.82 -0.09 6.66 6.94 -1.26 -4.93 115.26 123.85 1x86 n ASN 768 Ca -0.09 -0.04 -0.14 0.00 -0.02 0.00 0.00 54.58 54.29 1x86 n ASN 768 Cb 0.51 -0.66 -0.04 0.00 -2.36 0.00 0.00 39.78 37.23 1x86 n ASN 768 CO 0.00 0.00 0.00 -0.25 -1.03 0.00 0.00 177.26 175.98 1x86 h TRP 769 N -1.37 0.95 0.00 -2.53 7.01 -1.92 -3.24 115.95 114.84 1x86 h TRP 769 Ca -0.44 -0.30 0.00 0.00 2.11 0.00 0.00 58.89 60.26 1x86 h TRP 769 Cb 1.39 -0.19 0.00 0.00 -2.10 0.00 0.00 29.16 28.25 1x86 h TRP 769 CO 0.05 1.08 0.07 1.96 -2.79 0.00 0.00 178.44 178.82 1x86 h GLN 770 N 0.54 0.00 0.00 2.65 4.20 -1.93 -2.10 115.11 118.46 1x86 h GLN 770 Ca 0.04 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.66 1x86 h GLN 770 Cb 0.95 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.72 1x86 h GLN 770 CO 0.09 0.00 -0.42 1.96 -0.67 0.00 0.00 178.83 179.79 1x86 h GLN 771 N 0.00 0.00 0.02 1.46 7.50 -1.92 -3.24 115.11 118.94 1x86 h GLN 771 Ca 0.00 0.00 -0.28 0.00 0.50 0.00 0.00 58.65 58.87 1x86 h GLN 771 Cb 0.14 0.00 -0.04 0.00 0.05 0.00 0.00 27.48 27.63 1x86 h GLN 771 CO 0.00 0.42 -1.58 -0.07 -1.50 0.00 0.00 178.83 176.10 1x86 h LEU 772 N 0.00 0.08 -9.73 1.46 3.38 -1.59 -3.46 115.31 105.46 1x86 h LEU 772 Ca -0.00 -0.15 -0.53 0.00 0.09 0.00 0.00 57.88 57.29 1x86 h LEU 772 Cb 0.97 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.67 1x86 h LEU 772 CO 0.05 1.13 0.19 -0.69 0.09 0.00 0.00 178.44 179.21 1x86 s VAL 773 N -2.62 4.36 0.31 1.22 1.01 -1.22 -5.00 120.40 118.46 1x86 s VAL 773 Ca -0.06 1.72 -0.25 0.00 0.00 0.00 0.00 61.98 63.39 1x86 s VAL 773 Cb 0.08 -4.15 -0.15 0.00 0.00 0.00 0.00 36.38 32.16 1x86 s VAL 773 CO 0.82 0.52 0.44 -0.24 0.00 0.00 0.00 175.10 176.64 1x86 n SER 774 N 1.61 -1.45 -0.34 3.32 2.88 -1.26 -4.84 113.62 113.54 1x86 n SER 774 Ca -0.05 1.00 0.15 0.00 -1.33 0.00 0.00 58.87 58.63 1x86 n SER 774 Cb 0.49 -0.99 0.34 0.00 -0.75 0.00 0.00 64.21 63.30 1x86 n SER 774 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 1x86 h ARG 775 N 0.85 0.59 0.02 -1.46 9.65 -1.94 -2.82 114.38 119.27 1x86 h ARG 775 Ca -0.34 -0.04 -0.20 0.00 -1.10 0.00 0.00 59.98 58.30 1x86 h ARG 775 Cb 1.43 -0.13 0.02 0.00 -1.39 0.00 0.00 29.97 29.89 1x86 h ARG 775 CO 0.53 0.39 -0.79 0.93 2.80 0.00 0.00 179.97 183.83 1x86 h GLU 776 N 0.61 0.50 -0.52 0.20 3.07 -1.99 -2.63 114.58 113.83 1x86 h GLU 776 Ca 0.60 -0.57 0.10 0.00 -0.50 0.00 0.00 59.36 58.99 1x86 h GLU 776 Cb 1.05 0.17 -0.10 0.00 -0.84 0.00 0.00 28.75 29.02 1x86 h GLU 776 CO -0.45 1.20 -0.25 0.28 -1.40 0.00 0.00 179.01 178.40 1x86 h VAL 777 N 0.04 0.30 -0.42 3.13 2.07 -1.88 -2.30 116.25 117.18 1x86 h VAL 777 Ca -0.11 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.39 1x86 h VAL 777 Cb 1.49 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 31.54 1x86 h VAL 777 CO 0.15 0.00 0.15 -0.07 0.02 0.00 0.00 177.57 177.82 1x86 h LEU 778 N -0.13 0.55 0.00 2.57 3.38 -1.48 -1.61 115.31 118.59 1x86 h LEU 778 Ca 0.23 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1x86 h LEU 778 Cb 0.50 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1x86 h LEU 778 CO -0.59 0.51 0.00 -0.11 0.09 0.00 0.00 178.44 178.34 1x86 n LEU 779 N -4.36 0.00 -0.90 1.67 7.94 -0.88 -0.81 117.00 119.66 1x86 n LEU 779 Ca 0.03 0.36 0.11 0.00 -1.11 0.00 0.00 56.01 55.40 1x86 n LEU 779 Cb 0.16 -0.36 0.27 0.00 0.53 0.00 0.00 43.42 44.02 1x86 n LEU 779 CO 0.37 -0.12 0.73 0.61 -1.11 0.00 0.00 177.39 177.87 1x86 n GLY 780 N 0.46 1.09 3.29 -3.96 0.00 -0.61 -4.91 105.19 100.55 1x86 n GLY 780 Ca 0.08 -0.61 -0.32 0.00 0.00 0.00 0.00 46.02 45.17 1x86 n GLY 780 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x86 s LEU 781 N -1.57 2.18 0.70 0.99 1.43 0.01 -5.12 118.68 117.30 1x86 s LEU 781 Ca 0.35 -0.47 -0.15 0.00 -1.03 0.00 0.00 54.13 52.84 1x86 s LEU 781 Cb 0.20 -1.41 0.02 0.00 0.03 0.00 0.00 46.19 45.03 1x86 s LEU 781 CO 0.30 0.24 1.14 -0.54 0.23 0.00 0.00 176.35 177.72 1x86 s LYS 782 N -0.15 2.52 0.00 1.70 1.02 -1.26 -4.86 119.74 118.70 1x86 s LYS 782 Ca -0.03 1.48 0.23 0.00 0.02 0.00 0.00 55.97 57.66 1x86 s LYS 782 Cb -0.14 -1.91 1.04 0.00 -0.52 0.00 0.00 37.83 36.30 1x86 s LYS 782 CO 0.04 -1.49 1.73 -0.35 -0.92 0.00 0.00 175.35 174.36 1x86 n PRO 783 N -2.64 0.14 -0.00 -1.68 -0.04 -1.26 -1.60 135.00 127.92 1x86 n PRO 783 Ca 0.11 0.10 0.04 0.00 -0.04 0.00 0.00 63.50 63.70 1x86 n PRO 783 Cb 0.52 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.42 1x86 n PRO 783 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1x86 h GLU 785 N 0.00 0.44 -0.84 0.00 4.57 -1.55 -0.87 114.58 116.33 1x86 h GLU 785 Ca 0.00 -0.09 0.01 0.00 -1.18 0.00 0.00 59.36 58.10 1x86 h GLU 785 Cb 0.32 -0.07 -0.04 0.00 -0.16 0.00 0.00 28.75 28.80 1x86 h GLU 785 CO 0.00 0.49 0.55 0.82 -1.18 0.00 0.00 179.01 179.69 1x86 h ILE 786 N 0.42 1.21 -0.29 2.32 2.04 -1.62 -2.08 117.51 119.51 1x86 h ILE 786 Ca 0.09 -0.39 -0.06 0.00 1.00 0.00 0.00 64.86 65.51 1x86 h ILE 786 Cb 0.32 -0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.37 1x86 h ILE 786 CO 0.01 0.21 -0.03 0.11 0.00 0.00 0.00 178.15 178.44 1x86 h LYS 787 N 1.13 0.53 -0.72 2.37 1.57 -1.32 0.24 116.57 120.37 1x86 h LYS 787 Ca 0.31 -0.19 0.06 0.00 -1.87 0.00 0.00 60.65 58.96 1x86 h LYS 787 Cb -0.13 -0.04 -0.06 0.00 0.08 0.00 0.00 32.23 32.09 1x86 h LYS 787 CO -0.07 0.71 0.41 -0.09 -0.57 0.00 0.00 179.45 179.84 1x86 h ARG 788 N 0.31 0.73 -0.37 3.15 2.43 -1.03 0.78 114.38 120.39 1x86 h ARG 788 Ca 0.08 -0.04 0.04 0.00 -0.81 0.00 0.00 59.98 59.25 1x86 h ARG 788 Cb 0.49 -0.16 -0.04 0.00 -0.42 0.00 0.00 29.97 29.84 1x86 h ARG 788 CO 0.02 0.48 0.13 1.96 -1.51 0.00 0.00 179.97 181.06 1x86 h GLN 789 N 0.75 0.28 -0.92 0.20 1.08 -1.09 0.93 115.11 116.34 1x86 h GLN 789 Ca 0.32 -0.02 0.15 0.00 -1.45 0.00 0.00 58.65 57.66 1x86 h GLN 789 Cb 0.20 -0.06 -0.10 0.00 -0.05 0.00 0.00 27.48 27.47 1x86 h GLN 789 CO -0.19 0.19 0.52 0.93 -0.95 0.00 0.00 178.83 179.33 1x86 h GLU 790 N 0.29 0.72 0.43 1.46 4.39 0.13 0.53 114.58 122.52 1x86 h GLU 790 Ca 0.17 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.80 1x86 h GLU 790 Cb 0.14 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 28.63 1x86 h GLU 790 CO -0.17 0.47 -0.21 0.28 -1.16 0.00 0.00 179.01 178.23 1x86 h VAL 791 N 0.74 0.24 -0.51 3.13 2.07 -0.93 -2.89 116.25 118.10 1x86 h VAL 791 Ca 0.50 -0.61 0.10 0.00 0.82 0.00 0.00 66.70 67.51 1x86 h VAL 791 Cb 0.68 0.38 -0.10 0.00 -1.52 0.00 0.00 31.29 30.73 1x86 h VAL 791 CO -0.35 0.05 -0.22 0.40 0.02 0.00 0.00 177.57 177.48 1x86 h ILE 792 N -1.07 0.34 -0.91 4.57 2.04 -0.50 1.72 117.51 123.70 1x86 h ILE 792 Ca -0.06 0.00 0.23 0.00 1.00 0.00 0.00 64.86 66.03 1x86 h ILE 792 Cb 0.53 0.34 -0.17 0.00 -0.74 0.00 0.00 36.82 36.78 1x86 h ILE 792 CO 0.10 0.00 -0.01 -1.13 0.00 0.00 0.00 178.15 177.11 1x86 h ASN 793 N -0.10 -0.48 -0.15 1.72 -0.00 -0.99 -0.04 115.58 115.53 1x86 h ASN 793 Ca 0.24 0.25 -0.01 0.00 -0.00 0.00 0.00 56.30 56.78 1x86 h ASN 793 Cb 0.47 0.45 -0.01 0.00 -0.00 0.00 0.00 38.32 39.24 1x86 h ASN 793 CO -0.57 -0.29 0.06 -0.08 -0.00 0.00 0.00 177.43 176.54 1x86 h GLU 794 N 0.05 0.22 -0.78 6.67 4.81 0.26 -0.26 114.58 125.55 1x86 h GLU 794 Ca 0.52 -0.04 0.13 0.00 -0.13 0.00 0.00 59.36 59.84 1x86 h GLU 794 Cb 1.01 -0.03 -0.14 0.00 0.63 0.00 0.00 28.75 30.21 1x86 h GLU 794 CO -0.85 0.32 -0.36 1.25 -0.73 0.00 0.00 179.01 178.65 1x86 h LEU 795 N 0.08 -1.28 -0.24 1.64 5.85 0.13 0.15 115.31 121.64 1x86 h LEU 795 Ca 0.05 0.27 -0.06 0.00 0.84 0.00 0.00 57.88 58.98 1x86 h LEU 795 Cb 0.19 0.66 -0.01 0.00 0.37 0.00 0.00 40.66 41.87 1x86 h LEU 795 CO -0.00 -0.30 -0.07 -0.26 -0.34 0.00 0.00 178.44 177.47 1x86 h PHE 796 N -0.09 0.54 0.00 1.25 0.04 -0.84 -2.26 116.94 115.58 1x86 h PHE 796 Ca 0.29 -0.12 -0.07 0.00 2.80 0.00 0.00 57.97 60.87 1x86 h PHE 796 Cb 0.57 -0.13 -0.01 0.00 2.20 0.00 0.00 35.95 38.58 1x86 h PHE 796 CO -0.74 0.71 -0.46 0.10 -0.60 0.00 0.00 178.31 177.32 1x86 h TYR 797 N 0.21 0.00 0.53 -0.55 -0.00 -0.23 -2.87 116.97 114.06 1x86 h TYR 797 Ca 0.06 0.00 -0.03 0.00 0.00 0.00 0.00 58.73 58.76 1x86 h TYR 797 Cb 0.55 0.00 0.01 0.00 0.00 0.00 0.00 36.73 37.28 1x86 h TYR 797 CO 0.05 0.30 -0.25 1.15 -0.00 0.00 0.00 178.16 179.42 1x86 h THR 798 N 0.00 0.44 -0.88 -0.90 2.02 -0.75 -2.65 112.91 110.18 1x86 h THR 798 Ca -0.02 -0.24 0.22 0.00 0.77 0.00 0.00 66.41 67.15 1x86 h THR 798 Cb 1.25 0.54 -0.16 0.00 -1.74 0.00 0.00 68.15 68.04 1x86 h THR 798 CO 0.04 0.04 0.03 -0.08 0.37 0.00 0.00 175.52 175.92 1x86 h GLU 799 N -0.86 0.07 -0.69 6.66 4.57 -1.20 0.69 114.58 123.82 1x86 h GLU 799 Ca -0.07 -0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.09 1x86 h GLU 799 Cb 0.60 -0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 29.14 1x86 h GLU 799 CO 0.12 0.05 0.39 -0.09 -1.18 0.00 0.00 179.01 178.29 1x86 h ARG 800 N 0.07 0.95 -0.34 1.92 2.43 -1.51 -1.54 114.38 116.37 1x86 h ARG 800 Ca 0.51 -0.10 -0.07 0.00 -0.81 0.00 0.00 59.98 59.51 1x86 h ARG 800 Cb 0.99 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 30.33 1x86 h ARG 800 CO -0.79 0.69 -0.07 0.00 -1.51 0.00 0.00 179.97 178.29 1x86 h ALA 801 N 1.46 0.46 -0.10 2.80 0.00 0.71 -1.15 119.26 123.44 1x86 h ALA 801 Ca 0.25 -0.29 0.04 0.00 0.00 0.00 0.00 54.91 54.91 1x86 h ALA 801 Cb 0.01 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.62 1x86 h ALA 801 CO -0.04 0.30 -0.42 1.25 0.00 0.00 0.00 179.25 180.34 1x86 h HIS 802 N 0.43 -1.20 -0.76 0.00 -0.00 -0.95 0.74 115.15 113.41 1x86 h HIS 802 Ca 0.09 0.05 0.16 0.00 -0.00 0.00 0.00 60.37 60.67 1x86 h HIS 802 Cb 0.57 0.54 -0.05 0.00 -0.00 0.00 0.00 27.41 28.47 1x86 h HIS 802 CO 0.05 -0.48 0.51 0.28 -0.00 0.00 0.00 177.93 178.29 1x86 h VAL 803 N -0.51 0.76 -0.27 5.26 2.07 -1.02 0.13 116.25 122.66 1x86 h VAL 803 Ca 0.07 -0.12 -0.06 0.00 0.82 0.00 0.00 66.70 67.41 1x86 h VAL 803 Cb 0.63 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 1x86 h VAL 803 CO -0.38 0.06 -0.05 -0.09 0.02 0.00 0.00 177.57 177.14 1x86 h ARG 804 N 0.34 0.52 0.68 1.57 2.43 0.37 -2.39 114.38 117.91 1x86 h ARG 804 Ca 0.37 -0.19 -0.03 0.00 -0.81 0.00 0.00 59.98 59.32 1x86 h ARG 804 Cb 0.96 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.48 1x86 h ARG 804 CO -0.11 0.71 -0.37 1.15 -1.51 0.00 0.00 179.97 179.85 1x86 h THR 805 N 0.28 0.25 -0.90 0.20 2.02 0.54 -1.54 112.91 113.75 1x86 h THR 805 Ca 0.07 0.00 0.22 0.00 0.77 0.00 0.00 66.41 67.47 1x86 h THR 805 Cb 0.51 0.25 -0.16 0.00 -1.74 0.00 0.00 68.15 67.00 1x86 h THR 805 CO 0.02 0.00 -0.02 -0.07 0.37 0.00 0.00 175.52 175.83 1x86 h LEU 806 N -0.97 -0.49 -0.70 2.58 3.38 -1.10 0.59 115.31 118.60 1x86 h LEU 806 Ca -0.09 0.25 0.04 0.00 0.09 0.00 0.00 57.88 58.17 1x86 h LEU 806 Cb 0.77 0.45 -0.05 0.00 0.09 0.00 0.00 40.66 41.92 1x86 h LEU 806 CO 0.12 -0.28 0.43 0.11 0.09 0.00 0.00 178.44 178.91 1x86 h LYS 807 N 0.05 0.80 -0.58 1.13 1.57 -1.20 -0.86 116.57 117.47 1x86 h LYS 807 Ca 0.51 -0.05 0.07 0.00 -1.87 0.00 0.00 60.65 59.31 1x86 h LYS 807 Cb 0.96 -0.18 -0.06 0.00 0.08 0.00 0.00 32.23 33.04 1x86 h LYS 807 CO -0.84 0.53 0.28 0.28 -0.57 0.00 0.00 179.45 179.13 1x86 h VAL 808 N 0.82 0.89 -0.18 0.50 2.07 0.12 0.78 116.25 121.25 1x86 h VAL 808 Ca 0.29 -0.18 0.02 0.00 0.82 0.00 0.00 66.70 67.65 1x86 h VAL 808 Cb 0.06 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 30.14 1x86 h VAL 808 CO -0.13 0.09 0.05 0.25 0.02 0.00 0.00 177.57 177.85 1x86 h LEU 809 N 0.51 0.03 0.85 2.57 5.85 -0.16 0.77 115.31 125.73 1x86 h LEU 809 Ca 0.27 0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.97 1x86 h LEU 809 Cb 0.24 0.03 0.01 0.00 0.37 0.00 0.00 40.66 41.30 1x86 h LEU 809 CO -0.22 0.05 -0.41 -0.78 -0.34 0.00 0.00 178.44 176.74 1x86 h ASP 810 N 0.13 -0.96 0.06 1.25 -0.00 -0.56 0.16 116.42 116.49 1x86 h ASP 810 Ca 0.08 0.03 -0.13 0.00 -0.00 0.00 0.00 57.03 57.01 1x86 h ASP 810 Cb 0.06 0.25 0.01 0.00 -0.00 0.00 0.00 39.33 39.66 1x86 h ASP 810 CO -0.10 -0.63 -0.53 1.56 -0.00 0.00 0.00 179.24 179.54 1x86 h GLN 811 N -1.25 0.25 -0.33 0.28 4.20 0.89 0.20 115.11 119.34 1x86 h GLN 811 Ca -0.12 -0.35 -0.11 0.00 0.06 0.00 0.00 58.65 58.13 1x86 h GLN 811 Cb 0.88 0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.77 1x86 h GLN 811 CO 0.19 1.11 -0.23 0.28 -0.67 0.00 0.00 178.83 179.51 1x86 h VAL 812 N -0.45 1.29 0.00 -0.54 2.07 0.39 -3.36 116.25 115.65 1x86 h VAL 812 Ca -0.08 -1.38 0.00 0.00 0.82 0.00 0.00 66.70 66.06 1x86 h VAL 812 Cb 1.35 1.46 0.00 0.00 -1.52 0.00 0.00 31.29 32.58 1x86 h VAL 812 CO 0.10 0.45 0.00 0.49 0.02 0.00 0.00 177.57 178.63 1x86 n PHE 813 N -4.28 0.00 -0.31 1.57 3.72 -1.14 -4.45 117.46 112.57 1x86 n PHE 813 Ca -0.03 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.45 1x86 n PHE 813 Cb 0.44 0.00 0.24 0.00 -0.94 0.00 0.00 39.48 39.22 1x86 n PHE 813 CO 0.00 0.00 0.00 -0.92 -0.05 0.00 0.00 176.76 175.79 1x86 h TYR 814 N 0.00 0.88 0.03 1.38 3.20 -0.34 -2.26 116.97 119.85 1x86 h TYR 814 Ca 0.00 0.03 -0.24 0.00 3.14 0.00 0.00 58.73 61.66 1x86 h TYR 814 Cb 0.00 -0.25 -0.03 0.00 1.54 0.00 0.00 36.73 37.99 1x86 h TYR 814 CO 0.00 0.23 -1.22 0.37 -1.64 0.00 0.00 178.16 175.90 1x86 h GLN 815 N 0.70 0.06 0.00 1.82 5.75 -0.80 -2.72 115.11 119.92 1x86 h GLN 815 Ca 0.49 -0.11 -0.15 0.00 -0.15 0.00 0.00 58.65 58.73 1x86 h GLN 815 Cb 0.66 0.04 -0.02 0.00 1.07 0.00 0.00 27.48 29.23 1x86 h GLN 815 CO -0.35 0.95 -1.10 0.00 -2.65 0.00 0.00 178.83 175.68 1x86 h ARG 816 N 0.02 0.00 0.21 1.69 3.08 -1.59 -2.73 114.38 115.05 1x86 h ARG 816 Ca -0.10 0.00 -0.32 0.00 0.07 0.00 0.00 59.98 59.63 1x86 h ARG 816 Cb 1.87 0.00 0.03 0.00 0.08 0.00 0.00 29.97 31.95 1x86 h ARG 816 CO 0.13 0.39 -1.39 -0.24 -1.07 0.00 0.00 179.97 177.79 1x86 h VAL 817 N 0.00 1.35 0.05 2.04 3.04 -1.53 -2.02 116.25 119.18 1x86 h VAL 817 Ca -0.10 -2.79 0.02 0.00 -1.01 0.00 0.00 66.70 62.82 1x86 h VAL 817 Cb 1.53 2.98 -0.04 0.00 -2.01 0.00 0.00 31.29 33.75 1x86 h VAL 817 CO 0.06 0.83 -0.24 -1.28 -1.01 0.00 0.00 177.57 175.93 1x86 h SER 818 N 0.14 -0.69 -0.45 3.17 0.87 -1.52 -1.60 113.55 113.47 1x86 h SER 818 Ca -0.21 0.09 -0.00 0.00 -1.23 0.00 0.00 61.79 60.43 1x86 h SER 818 Cb 2.09 0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 64.30 1x86 h SER 818 CO 0.25 -0.31 0.28 -0.09 -0.53 0.00 0.00 176.83 176.43 1x86 h ARG 819 N -0.40 0.62 -0.40 2.24 2.43 -1.52 -2.95 114.38 114.40 1x86 h ARG 819 Ca 0.05 -0.05 -0.10 0.00 -0.81 0.00 0.00 59.98 59.08 1x86 h ARG 819 Cb 0.45 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.85 1x86 h ARG 819 CO -0.18 0.43 -0.14 1.49 -1.51 0.00 0.00 179.97 180.05 1x86 h GLU 820 N 0.63 0.73 0.00 0.20 4.57 -0.52 -3.47 114.58 116.72 1x86 h GLU 820 Ca 0.17 -0.25 0.00 0.00 -1.18 0.00 0.00 59.36 58.09 1x86 h GLU 820 Cb -0.03 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 28.50 1x86 h GLU 820 CO -0.03 0.84 0.00 0.41 -1.18 0.00 0.00 179.01 179.05 1x86 n GLY 821 N -0.41 2.37 0.39 1.92 0.00 -0.94 -5.00 105.19 103.52 1x86 n GLY 821 Ca 0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 1x86 n GLY 821 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1x86 n ILE 822 N -0.57 -0.62 -3.61 -0.61 5.41 -1.26 -4.54 119.36 113.55 1x86 n ILE 822 Ca 0.00 2.25 -0.35 0.00 1.00 0.00 0.00 62.75 65.65 1x86 n ILE 822 Cb 0.00 -2.79 -0.05 0.00 -0.71 0.00 0.00 39.64 36.09 1x86 n ILE 822 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 1x86 s LEU 823 N -10.36 4.36 1.08 1.39 1.43 -1.26 -5.04 118.68 110.29 1x86 s LEU 823 Ca -0.11 0.75 -0.14 0.00 -1.03 0.00 0.00 54.13 53.60 1x86 s LEU 823 Cb 0.11 -2.88 0.23 0.00 0.03 0.00 0.00 46.19 43.69 1x86 s LEU 823 CO 0.58 0.20 1.08 -0.94 0.23 0.00 0.00 176.35 177.50 1x86 s SER 824 N -1.69 1.86 0.14 2.29 1.04 -1.26 -4.79 113.70 111.28 1x86 s SER 824 Ca 0.31 1.13 0.27 0.00 0.48 0.00 0.00 55.95 58.14 1x86 s SER 824 Cb -0.14 -1.76 0.95 0.00 0.10 0.00 0.00 66.02 65.18 1x86 s SER 824 CO 0.17 -3.60 1.81 -0.81 0.98 0.00 0.00 173.24 171.79 1x86 n PRO 825 N -4.48 0.16 -0.05 4.02 -0.04 -1.26 -0.63 135.00 132.73 1x86 n PRO 825 Ca 0.06 0.16 -0.12 0.00 -0.04 0.00 0.00 63.50 63.56 1x86 n PRO 825 Cb 0.57 -1.70 -0.14 0.00 -0.04 0.00 0.00 33.50 32.19 1x86 n PRO 825 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1x86 n SER 826 N -1.99 0.96 -0.08 3.54 3.41 -1.26 -3.18 113.62 115.02 1x86 n SER 826 Ca 0.06 0.21 -0.12 0.00 -0.26 0.00 0.00 58.87 58.76 1x86 n SER 826 Cb 0.38 0.06 -0.05 0.00 -0.26 0.00 0.00 64.21 64.34 1x86 n SER 826 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1x86 h GLU 827 N 0.01 0.47 -0.49 4.33 5.08 -1.92 0.21 114.58 122.27 1x86 h GLU 827 Ca -0.41 -0.19 0.09 0.00 -1.00 0.00 0.00 59.36 57.85 1x86 h GLU 827 Cb 2.07 -0.02 -0.10 0.00 0.50 0.00 0.00 28.75 31.20 1x86 h GLU 827 CO 0.05 0.71 -0.32 -0.07 -1.00 0.00 0.00 179.01 178.38 1x86 h LEU 828 N 0.20 -1.09 -1.11 1.33 3.38 -1.04 -0.82 115.31 116.15 1x86 h LEU 828 Ca 0.06 0.21 -0.07 0.00 0.09 0.00 0.00 57.88 58.16 1x86 h LEU 828 Cb 0.55 0.53 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 1x86 h LEU 828 CO 0.03 -0.31 -0.33 -0.09 0.09 0.00 0.00 178.44 177.83 1x86 h ARG 829 N -0.20 0.00 -0.19 1.13 2.43 -1.41 -0.76 114.38 115.38 1x86 h ARG 829 Ca 0.20 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.34 1x86 h ARG 829 Cb 0.54 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.08 1x86 h ARG 829 CO -0.60 0.33 0.00 -0.22 -1.51 0.00 0.00 179.97 177.97 1x86 h LYS 830 N 0.00 0.34 0.11 0.20 1.63 0.31 -0.03 116.57 119.14 1x86 h LYS 830 Ca -0.00 -0.11 -0.01 0.00 -0.85 0.00 0.00 60.65 59.68 1x86 h LYS 830 Cb 0.79 -0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.39 1x86 h LYS 830 CO 0.04 0.54 -0.05 0.82 -3.45 0.00 0.00 179.45 177.35 1x86 h ILE 831 N 0.10 0.00 0.00 2.00 2.04 -0.79 -3.37 117.51 117.49 1x86 h ILE 831 Ca 0.05 -0.04 0.00 0.00 1.00 0.00 0.00 64.86 65.88 1x86 h ILE 831 Cb 0.39 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.47 1x86 h ILE 831 CO 0.01 0.00 -0.32 -0.26 0.00 0.00 0.00 178.15 177.58 1x86 h PHE 832 N -0.19 0.00 0.00 1.37 0.04 -1.25 -3.44 116.94 113.47 1x86 h PHE 832 Ca -0.02 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.75 1x86 h PHE 832 Cb 0.12 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.27 1x86 h PHE 832 CO 0.15 0.00 0.00 -1.13 -0.60 0.00 0.00 178.31 176.73 1x86 n SER 833 N -2.92 0.00 -2.01 2.17 3.41 -0.02 -2.59 113.62 111.66 1x86 n SER 833 Ca 0.03 0.00 -0.18 0.00 -0.26 0.00 0.00 58.87 58.46 1x86 n SER 833 Cb 0.53 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.49 1x86 n SER 833 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1x86 n ASN 834 N -1.40 6.39 -0.34 4.04 6.94 -1.26 -4.37 115.26 125.26 1x86 n ASN 834 Ca 0.00 -3.05 0.14 0.00 -0.02 0.00 0.00 54.58 51.65 1x86 n ASN 834 Cb 0.00 -1.11 0.34 0.00 -2.36 0.00 0.00 39.78 36.65 1x86 n ASN 834 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 1x86 h LEU 835 N 2.92 0.65 0.09 -4.53 5.85 -1.90 -1.53 115.31 116.86 1x86 h LEU 835 Ca 0.30 0.12 -0.00 0.00 0.84 0.00 0.00 57.88 59.14 1x86 h LEU 835 Cb 0.90 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.94 1x86 h LEU 835 CO 0.74 0.16 -0.10 -0.08 -0.34 0.00 0.00 178.44 178.82 1x86 h GLU 836 N 0.62 -0.18 -0.96 1.25 4.57 -1.87 0.31 114.58 118.32 1x86 h GLU 836 Ca 0.59 0.01 0.28 0.00 -1.18 0.00 0.00 59.36 59.07 1x86 h GLU 836 Cb 1.04 0.04 -0.18 0.00 -0.16 0.00 0.00 28.75 29.49 1x86 h GLU 836 CO -0.44 -0.12 0.11 -0.44 -1.18 0.00 0.00 179.01 176.94 1x86 h ASP 837 N -0.19 -0.32 0.09 1.04 3.32 -1.65 -0.32 116.42 118.40 1x86 h ASP 837 Ca -0.01 0.26 -0.00 0.00 0.02 0.00 0.00 57.03 57.30 1x86 h ASP 837 Cb 0.17 0.43 0.00 0.00 0.22 0.00 0.00 39.33 40.15 1x86 h ASP 837 CO -0.02 -0.33 -0.04 0.16 -1.72 0.00 0.00 179.24 177.28 1x86 h ILE 838 N 0.04 1.05 -0.87 0.35 3.07 -1.36 -1.10 117.51 118.69 1x86 h ILE 838 Ca 0.61 -1.39 0.09 0.00 1.55 0.00 0.00 64.86 65.73 1x86 h ILE 838 Cb 1.31 1.82 -0.11 0.00 -0.27 0.00 0.00 36.82 39.57 1x86 h ILE 838 CO -0.86 0.30 -0.47 -0.11 -1.05 0.00 0.00 178.15 175.96 1x86 n LEU 839 N -4.83 -0.83 -0.19 0.16 7.94 0.11 0.19 117.00 119.54 1x86 n LEU 839 Ca -0.08 1.54 0.09 0.00 -1.11 0.00 0.00 56.01 56.45 1x86 n LEU 839 Cb 0.29 -0.24 0.39 0.00 0.53 0.00 0.00 43.42 44.39 1x86 n LEU 839 CO 0.26 -1.29 1.21 1.56 -1.11 0.00 0.00 177.39 178.03 1x86 h GLN 840 N 0.00 0.65 -0.22 1.96 1.08 -1.14 0.25 115.11 117.69 1x86 h GLN 840 Ca 0.18 -0.04 0.01 0.00 -1.45 0.00 0.00 58.65 57.35 1x86 h GLN 840 Cb 0.40 -0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 27.67 1x86 h GLN 840 CO -0.83 0.43 0.13 1.25 -0.95 0.00 0.00 178.83 178.86 1x86 h LEU 841 N 0.67 0.21 0.10 1.46 5.85 0.35 -2.00 115.31 121.96 1x86 h LEU 841 Ca 0.34 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 59.06 1x86 h LEU 841 Cb 0.45 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.43 1x86 h LEU 841 CO -0.12 0.16 -0.05 0.45 -0.34 0.00 0.00 178.44 178.53 1x86 h HIS 842 N 0.27 -0.13 -0.73 1.25 3.86 -0.58 -0.29 115.15 118.80 1x86 h HIS 842 Ca 0.08 -0.00 0.20 0.00 -1.16 0.00 0.00 60.37 59.49 1x86 h HIS 842 Cb -0.01 0.04 -0.14 0.00 1.06 0.00 0.00 27.41 28.37 1x86 h HIS 842 CO -0.07 0.38 0.02 -0.89 0.86 0.00 0.00 177.93 178.23 1x86 n ILE 843 N -4.86 -0.30 0.14 2.45 5.41 0.83 0.31 119.36 123.33 1x86 n ILE 843 Ca -0.08 1.60 -0.24 0.00 1.00 0.00 0.00 62.75 65.02 1x86 n ILE 843 Cb 0.28 -2.33 -0.16 0.00 -0.71 0.00 0.00 39.64 36.72 1x86 n ILE 843 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 1x86 h GLY 844 N 0.00 0.59 0.94 7.39 0.00 -1.26 -2.51 103.07 108.22 1x86 h GLY 844 Ca 0.44 -1.51 0.15 0.00 0.00 0.00 0.00 47.33 46.41 1x86 h GLY 844 CO -0.68 1.33 0.39 -2.00 0.00 0.00 0.00 176.54 175.57 1x86 h LEU 845 N 0.14 0.00 0.00 3.11 5.85 0.90 -0.64 115.31 124.67 1x86 h LEU 845 Ca -0.27 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.42 1x86 h LEU 845 Cb 2.16 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 43.19 1x86 h LEU 845 CO 0.26 0.00 -0.17 -1.13 -0.34 0.00 0.00 178.44 177.07 1x86 h ASN 846 N 0.00 0.00 0.02 1.25 -0.00 -0.06 -2.87 115.58 113.92 1x86 h ASN 846 Ca 0.24 -0.89 -0.00 0.00 -0.00 0.00 0.00 56.30 55.65 1x86 h ASN 846 Cb 1.01 0.00 -0.00 0.00 -0.00 0.00 0.00 38.32 39.33 1x86 h ASN 846 CO -0.00 1.04 -0.01 -0.33 -0.00 0.00 0.00 177.43 178.13 1x86 h GLU 847 N -1.00 0.00 -0.64 6.67 4.39 -1.22 0.62 114.58 123.41 1x86 h GLU 847 Ca -0.05 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.56 1x86 h GLU 847 Cb 1.00 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.62 1x86 h GLU 847 CO -0.03 0.01 0.04 0.37 -1.16 0.00 0.00 179.01 178.24 1x86 h GLN 848 N 0.00 1.10 -0.30 2.33 4.15 -1.15 -0.03 115.11 121.20 1x86 h GLN 848 Ca -0.00 -0.33 -0.10 0.00 0.77 0.00 0.00 58.65 59.00 1x86 h GLN 848 Cb 0.02 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 27.59 1x86 h GLN 848 CO 0.00 1.04 -0.18 0.52 -1.93 0.00 0.00 178.83 178.28 1x86 h MET 849 N 1.01 0.66 -0.02 1.69 2.86 0.21 -2.92 114.93 118.42 1x86 h MET 849 Ca 0.19 -0.30 0.03 0.00 -2.06 0.00 0.00 59.70 57.55 1x86 h MET 849 Cb 0.52 -0.01 -0.05 0.00 0.06 0.00 0.00 31.60 32.12 1x86 h MET 849 CO 0.02 0.90 -0.27 0.87 1.06 0.00 0.00 176.91 179.49 1x86 h LYS 850 N 0.41 -0.39 -0.15 1.72 1.57 0.37 0.32 116.57 120.42 1x86 h LYS 850 Ca 0.06 0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.88 1x86 h LYS 850 Cb 0.72 0.09 -0.02 0.00 0.08 0.00 0.00 32.23 33.10 1x86 h LYS 850 CO 0.05 -0.26 -0.09 0.00 -0.57 0.00 0.00 179.45 178.58 1x86 n ALA 851 N -2.71 -0.10 0.16 3.86 0.00 -0.07 -0.88 120.51 120.78 1x86 n ALA 851 Ca -0.05 0.13 0.04 0.00 0.00 0.00 0.00 53.44 53.56 1x86 n ALA 851 Cb 0.30 -0.00 0.44 0.00 0.00 0.00 0.00 19.45 20.18 1x86 n ALA 851 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1x86 h VAL 852 N 0.00 1.16 -0.47 0.00 2.07 -0.17 -2.01 116.25 116.83 1x86 h VAL 852 Ca 0.02 -0.72 -0.06 0.00 0.82 0.00 0.00 66.70 66.77 1x86 h VAL 852 Cb 0.06 1.27 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 1x86 h VAL 852 CO -0.14 0.22 0.07 0.03 0.02 0.00 0.00 177.57 177.77 1x86 h ARG 853 N 0.13 0.78 -0.23 1.57 3.08 -0.45 -3.23 114.38 116.02 1x86 h ARG 853 Ca 0.03 -0.21 -0.01 0.00 0.07 0.00 0.00 59.98 59.86 1x86 h ARG 853 Cb 0.35 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.30 1x86 h ARG 853 CO 0.02 0.79 0.10 0.87 -1.07 0.00 0.00 179.97 180.68 1x86 h LYS 854 N 0.64 0.34 -0.42 0.04 1.79 -0.99 -3.10 116.57 114.88 1x86 h LYS 854 Ca 0.14 -0.06 0.09 0.00 -2.18 0.00 0.00 60.65 58.64 1x86 h LYS 854 Cb 0.39 -0.06 -0.08 0.00 -1.58 0.00 0.00 32.23 30.90 1x86 h LYS 854 CO 0.01 0.37 -0.09 0.54 -1.08 0.00 0.00 179.45 179.20 1x86 n ARG 855 N -4.81 -0.04 -3.87 3.15 1.74 -0.88 -4.27 116.66 107.68 1x86 n ARG 855 Ca -0.03 0.65 -0.36 0.00 -0.77 0.00 0.00 57.85 57.34 1x86 n ARG 855 Cb 0.12 -0.97 -0.08 0.00 -1.02 0.00 0.00 32.46 30.51 1x86 n ARG 855 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 1x86 s ASN 856 N -5.09 6.11 0.09 0.55 0.01 -1.17 -4.99 114.94 110.44 1x86 s ASN 856 Ca -0.06 0.28 -0.19 0.00 -0.71 0.00 0.00 52.86 52.18 1x86 s ASN 856 Cb 0.11 -2.02 -0.08 0.00 0.41 0.00 0.00 41.25 39.67 1x86 s ASN 856 CO 0.32 0.27 1.55 -0.33 -1.51 0.00 0.00 177.10 177.41 1x86 h GLU 857 N 6.03 0.39 -6.26 -0.60 5.08 -1.87 -3.43 114.58 113.91 1x86 h GLU 857 Ca -0.45 -0.11 -0.28 0.00 -1.00 0.00 0.00 59.36 57.52 1x86 h GLU 857 Cb 1.18 -0.04 0.16 0.00 0.50 0.00 0.00 28.75 30.55 1x86 h GLU 857 CO 0.68 0.53 -0.43 0.25 -1.00 0.00 0.00 179.01 179.04 1x86 n THR 858 N -4.70 0.00 -0.34 1.13 -2.24 -1.26 -4.97 114.28 101.90 1x86 n THR 858 Ca -0.04 -0.08 0.08 0.00 -2.27 0.00 0.00 64.05 61.74 1x86 n THR 858 Cb 0.20 -0.57 0.23 0.00 -2.10 0.00 0.00 70.33 68.09 1x86 n THR 858 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1x86 n SER 859 N -1.85 3.49 -4.55 3.42 7.64 -1.26 -4.86 113.62 115.65 1x86 n SER 859 Ca 0.06 -2.12 -0.43 0.00 1.01 0.00 0.00 58.87 57.39 1x86 n SER 859 Cb 0.43 -0.36 -0.06 0.00 -1.01 0.00 0.00 64.21 63.21 1x86 n SER 859 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1x86 s VAL 860 N -1.22 4.76 -0.41 0.44 1.01 -1.26 -4.98 120.40 118.74 1x86 s VAL 860 Ca 0.35 0.50 -0.28 0.00 0.00 0.00 0.00 61.98 62.55 1x86 s VAL 860 Cb 0.20 -4.22 0.02 0.00 0.00 0.00 0.00 36.38 32.38 1x86 s VAL 860 CO 0.21 -0.53 1.06 -0.63 0.00 0.00 0.00 175.10 175.21 1x86 s ILE 861 N 3.02 4.39 0.00 2.22 1.09 -1.26 -4.90 121.20 125.75 1x86 s ILE 861 Ca 0.27 1.30 0.00 0.00 -1.10 0.00 0.00 60.65 61.13 1x86 s ILE 861 Cb -0.13 -4.49 0.00 0.00 -1.06 0.00 0.00 42.46 36.78 1x86 s ILE 861 CO 0.19 -0.76 0.00 0.47 -0.10 0.00 0.00 174.94 174.74 1x86 n ASP 862 N 7.31 0.00 -3.64 3.58 8.00 -1.26 -4.89 116.55 125.65 1x86 n ASP 862 Ca 0.10 0.00 -0.51 0.00 0.71 0.00 0.00 54.79 55.10 1x86 n ASP 862 Cb 0.48 0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.51 1x86 n ASP 862 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1x86 n GLN 863 N 0.00 0.00 0.00 -1.24 10.64 -1.26 -4.92 117.38 120.60 1x86 n GLN 863 Ca 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 1x86 n GLN 863 Cb 0.00 -1.17 0.00 0.00 -0.86 0.00 0.00 30.24 28.21 1x86 n GLN 863 CO 0.00 0.00 0.00 1.51 -1.83 0.00 0.00 177.06 176.74 1x86 n ILE 864 N 2.54 0.52 0.00 -0.39 3.06 -1.26 -4.93 119.36 118.90 1x86 n ILE 864 Ca 0.22 -0.66 -0.00 0.00 -2.50 0.00 0.00 62.75 59.80 1x86 n ILE 864 Cb -0.01 0.81 -0.00 0.00 0.54 0.00 0.00 39.64 40.97 1x86 n ILE 864 CO 0.00 0.00 0.00 1.23 -2.50 0.00 0.00 176.55 175.28 1x86 h GLY 865 N 0.00 -0.01 -0.25 4.50 0.00 -1.91 -2.99 103.07 102.41 1x86 h GLY 865 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 47.33 47.39 1x86 h GLY 865 CO 0.00 -0.00 -0.02 1.18 0.00 0.00 0.00 176.54 177.69 1x86 n GLU 866 N -2.02 -0.02 0.23 4.80 -0.58 -1.26 0.13 120.64 121.92 1x86 n GLU 866 Ca -0.00 0.38 0.11 0.00 -0.42 0.00 0.00 57.16 57.22 1x86 n GLU 866 Cb 0.00 -0.58 0.48 0.00 -0.57 0.00 0.00 31.44 30.77 1x86 n GLU 866 CO 0.00 0.00 0.00 -0.44 -0.48 0.00 0.00 177.13 176.21 1x86 h ASP 867 N 0.00 0.00 0.36 1.62 3.45 -1.90 -0.56 116.42 119.39 1x86 h ASP 867 Ca 0.14 0.00 -0.32 0.00 0.43 0.00 0.00 57.03 57.27 1x86 h ASP 867 Cb 0.25 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.02 1x86 h ASP 867 CO -0.24 0.20 -1.59 -0.07 -1.57 0.00 0.00 179.24 175.96 1x86 h LEU 868 N 0.00 0.49 -0.56 1.55 3.38 0.12 -2.14 115.31 118.16 1x86 h LEU 868 Ca -0.00 -0.68 -0.09 0.00 0.09 0.00 0.00 57.88 57.20 1x86 h LEU 868 Cb 0.72 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 1x86 h LEU 868 CO 0.03 1.57 0.01 -0.07 0.09 0.00 0.00 178.44 180.06 1x86 h LEU 869 N 0.09 0.96 -0.91 1.67 3.38 -1.34 -1.00 115.31 118.15 1x86 h LEU 869 Ca -0.27 -0.30 -0.06 0.00 0.09 0.00 0.00 57.88 57.34 1x86 h LEU 869 Cb 2.05 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 42.52 1x86 h LEU 869 CO 0.18 1.03 0.15 0.74 0.09 0.00 0.00 178.44 180.62 1x86 h THR 870 N 0.86 1.24 0.00 0.22 2.02 -1.08 0.80 112.91 116.97 1x86 h THR 870 Ca 0.16 -0.88 -0.20 0.00 0.77 0.00 0.00 66.41 66.26 1x86 h THR 870 Cb 0.53 0.61 -0.03 0.00 -1.74 0.00 0.00 68.15 67.52 1x86 h THR 870 CO 0.03 0.33 -1.02 -0.50 0.37 0.00 0.00 175.52 174.73 1x86 h TRP 871 N 0.91 0.00 0.00 3.16 6.55 -1.27 -3.39 115.95 121.91 1x86 h TRP 871 Ca 0.20 0.00 -0.05 0.00 0.95 0.00 0.00 58.89 59.99 1x86 h TRP 871 Cb 0.32 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 28.61 1x86 h TRP 871 CO 0.02 0.93 -1.24 1.19 -1.05 0.00 0.00 178.44 178.29 1x86 n PHE 872 N -3.30 0.00 -2.60 0.49 3.01 -0.39 -4.27 117.46 110.40 1x86 n PHE 872 Ca -0.02 0.00 -0.18 0.00 1.01 0.00 0.00 57.45 58.27 1x86 n PHE 872 Cb 0.92 -0.16 0.09 0.00 -0.01 0.00 0.00 39.48 40.32 1x86 n PHE 872 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 1x86 n SER 873 N -1.98 1.14 0.00 4.37 3.41 0.28 -2.92 113.62 117.91 1x86 n SER 873 Ca -0.05 -1.93 0.00 0.00 -0.26 0.00 0.00 58.87 56.63 1x86 n SER 873 Cb 0.46 -0.48 0.00 0.00 -0.26 0.00 0.00 64.21 63.93 1x86 n SER 873 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x86 n GLY 874 N -0.93 3.21 0.21 5.00 0.00 -1.26 -1.65 105.19 109.77 1x86 n GLY 874 Ca 0.13 -0.16 0.14 0.00 0.00 0.00 0.00 46.02 46.13 1x86 n GLY 874 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1x86 n PRO 875 N 14.00 1.01 -0.01 1.61 -0.02 -1.26 -2.40 135.00 147.93 1x86 n PRO 875 Ca 0.00 -0.42 -0.16 0.00 -2.02 0.00 0.00 63.50 60.90 1x86 n PRO 875 Cb 0.00 -1.49 -0.13 0.00 -0.02 0.00 0.00 33.50 31.86 1x86 n PRO 875 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1x86 h GLY 876 N 4.94 0.21 -0.59 -1.23 0.00 -1.55 -2.95 103.07 101.90 1x86 h GLY 876 Ca 0.00 -0.44 0.06 0.00 0.00 0.00 0.00 47.33 46.95 1x86 h GLY 876 CO 0.00 0.39 -0.51 -2.09 0.00 0.00 0.00 176.54 174.33 1x86 h GLU 877 N -0.54 -0.19 -0.97 4.80 4.81 -0.95 -0.50 114.58 121.05 1x86 h GLU 877 Ca -0.06 0.01 0.08 0.00 -0.13 0.00 0.00 59.36 59.27 1x86 h GLU 877 Cb 1.19 0.04 -0.07 0.00 0.63 0.00 0.00 28.75 30.54 1x86 h GLU 877 CO 0.07 -0.13 0.62 0.93 -0.73 0.00 0.00 179.01 179.77 1x86 h GLU 878 N -0.20 1.03 -0.05 1.92 4.39 -1.60 0.85 114.58 120.91 1x86 h GLU 878 Ca 0.10 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.73 1x86 h GLU 878 Cb 0.46 -0.23 -0.00 0.00 -0.10 0.00 0.00 28.75 28.88 1x86 h GLU 878 CO -0.66 0.68 0.01 -0.22 -1.16 0.00 0.00 179.01 177.65 1x86 h LYS 879 N 1.06 0.08 -0.46 2.33 3.64 -1.14 -2.92 116.57 119.17 1x86 h LYS 879 Ca 0.44 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.76 1x86 h LYS 879 Cb 0.29 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.09 1x86 h LYS 879 CO -0.19 0.32 0.13 1.25 -2.27 0.00 0.00 179.45 178.70 1x86 h LEU 880 N -0.17 0.68 -0.38 5.20 5.85 0.51 -2.57 115.31 124.43 1x86 h LEU 880 Ca 0.01 -0.22 -0.12 0.00 0.84 0.00 0.00 57.88 58.40 1x86 h LEU 880 Cb 0.28 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 1x86 h LEU 880 CO 0.00 0.71 -0.22 0.07 -0.34 0.00 0.00 178.44 178.67 1x86 h LYS 881 N 0.60 0.82 -0.38 1.25 2.10 -0.95 0.17 116.57 120.19 1x86 h LYS 881 Ca 0.15 -0.37 -0.03 0.00 -2.00 0.00 0.00 60.65 58.39 1x86 h LYS 881 Cb 0.29 -0.02 -0.02 0.00 -0.90 0.00 0.00 32.23 31.59 1x86 h LYS 881 CO -0.00 1.00 0.12 0.45 -2.00 0.00 0.00 179.45 179.03 1x86 h HIS 882 N 0.62 0.62 -0.38 0.07 3.86 -1.46 0.62 115.15 119.09 1x86 h HIS 882 Ca 0.08 -0.06 -0.15 0.00 -1.16 0.00 0.00 60.37 59.08 1x86 h HIS 882 Cb 0.78 -0.18 -0.01 0.00 1.06 0.00 0.00 27.41 29.06 1x86 h HIS 882 CO 0.06 0.58 -0.36 0.00 0.86 0.00 0.00 177.93 179.06 1x86 h ALA 883 N 0.97 0.63 -1.96 2.45 0.00 -1.36 -2.60 119.26 117.39 1x86 h ALA 883 Ca 0.12 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1x86 h ALA 883 Cb 0.25 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1x86 h ALA 883 CO -0.00 0.67 0.00 0.00 0.00 0.00 0.00 179.25 179.92 1x86 n ALA 884 N -2.54 -0.16 -0.25 0.00 0.00 0.59 -2.17 120.51 115.99 1x86 n ALA 884 Ca -0.02 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.57 1x86 n ALA 884 Cb 0.53 0.00 0.28 0.00 0.00 0.00 0.00 19.45 20.26 1x86 n ALA 884 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x86 n ALA 885 N -1.02 0.48 0.18 0.00 0.00 0.20 0.27 120.51 120.62 1x86 n ALA 885 Ca 0.00 0.77 0.02 0.00 0.00 0.00 0.00 53.44 54.23 1x86 n ALA 885 Cb 0.00 -0.62 0.33 0.00 0.00 0.00 0.00 19.45 19.16 1x86 n ALA 885 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1x86 h THR 886 N 0.00 1.27 0.00 0.00 1.35 -1.47 -1.64 112.91 112.43 1x86 h THR 886 Ca 0.49 -1.42 -0.02 0.00 -0.55 0.00 0.00 66.41 64.91 1x86 h THR 886 Cb 1.12 1.77 -0.00 0.00 -1.73 0.00 0.00 68.15 69.30 1x86 h THR 886 CO -0.65 0.40 -0.10 0.15 -0.25 0.00 0.00 175.52 175.08 1x86 h PHE 887 N 0.00 0.00 -0.59 4.73 3.57 0.43 -3.27 116.94 121.81 1x86 h PHE 887 Ca -0.00 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.46 1x86 h PHE 887 Cb 0.74 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.45 1x86 h PHE 887 CO 0.00 0.87 0.22 0.00 -2.23 0.00 0.00 178.31 177.17 1x86 h SER 889 N 0.82 0.00 1.20 0.00 4.64 -1.46 -2.84 113.55 115.92 1x86 h SER 889 Ca 0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 1x86 h SER 889 Cb 0.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 1x86 h SER 889 CO -0.01 0.14 0.00 -1.13 -0.87 0.00 0.00 176.83 174.95 1x86 h ASN 890 N 0.00 0.00 -0.08 4.97 -1.24 -1.51 -3.36 115.58 114.36 1x86 h ASN 890 Ca -0.00 0.00 0.04 0.00 0.71 0.00 0.00 56.30 57.04 1x86 h ASN 890 Cb 0.60 0.00 -0.06 0.00 0.73 0.00 0.00 38.32 39.59 1x86 h ASN 890 CO 0.02 0.00 -0.44 -0.61 -1.29 0.00 0.00 177.43 175.11 1x86 h GLN 891 N 0.00 -0.52 -1.00 6.67 4.15 -1.59 0.41 115.11 123.22 1x86 h GLN 891 Ca 0.00 0.04 0.31 0.00 0.77 0.00 0.00 58.65 59.76 1x86 h GLN 891 Cb 0.60 0.12 -0.18 0.00 0.21 0.00 0.00 27.48 28.23 1x86 h GLN 891 CO 0.00 -0.35 0.14 -1.35 -1.93 0.00 0.00 178.83 175.34 1x86 h PRO 892 N -0.54 0.00 0.03 -2.39 0.11 -1.82 0.42 132.00 127.80 1x86 h PRO 892 Ca 0.06 -0.00 -0.25 0.00 0.11 0.00 0.00 66.00 65.91 1x86 h PRO 892 Cb 0.65 -0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.73 1x86 h PRO 892 CO -0.37 0.00 -1.32 0.74 -0.21 0.00 0.00 178.00 176.84 1x86 h PHE 893 N 0.00 0.10 -0.56 0.65 0.04 -1.07 -2.65 116.94 113.46 1x86 h PHE 893 Ca 0.66 -0.08 -0.05 0.00 2.80 0.00 0.00 57.97 61.30 1x86 h PHE 893 Cb 1.47 -0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.59 1x86 h PHE 893 CO -0.40 1.08 0.15 0.00 -0.60 0.00 0.00 178.31 178.55 1x86 h ALA 894 N 0.89 0.73 -0.19 2.45 0.00 0.30 -2.93 119.26 120.51 1x86 h ALA 894 Ca -0.14 -0.21 -0.12 0.00 0.00 0.00 0.00 54.91 54.44 1x86 h ALA 894 Cb 1.90 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.47 1x86 h ALA 894 CO 0.12 0.42 -0.35 -0.07 0.00 0.00 0.00 179.25 179.37 1x86 h LEU 895 N 0.78 0.64 -0.92 0.00 3.38 -0.31 -1.95 115.31 116.94 1x86 h LEU 895 Ca 0.18 -0.54 0.25 0.00 0.09 0.00 0.00 57.88 57.86 1x86 h LEU 895 Cb 0.31 -0.18 -0.14 0.00 0.09 0.00 0.00 40.66 40.74 1x86 h LEU 895 CO -0.00 1.06 0.39 -0.08 0.09 0.00 0.00 178.44 179.90 1x86 h GLU 896 N 0.25 0.32 -0.02 1.13 4.81 -1.53 -0.55 114.58 118.98 1x86 h GLU 896 Ca 0.01 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 1x86 h GLU 896 Cb 0.94 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 30.25 1x86 h GLU 896 CO 0.08 0.21 -0.01 1.98 -0.73 0.00 0.00 179.01 180.54 1x86 h MET 897 N 0.33 0.05 -0.31 1.92 4.05 -1.18 -1.16 114.93 118.62 1x86 h MET 897 Ca 0.60 -0.02 0.04 0.00 -0.28 0.00 0.00 59.70 60.04 1x86 h MET 897 Cb 1.23 -0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 31.99 1x86 h MET 897 CO -0.59 0.41 0.10 0.82 0.23 0.00 0.00 176.91 177.87 1x86 h ILE 898 N -0.32 0.89 -0.44 1.77 2.04 -0.69 0.40 117.51 121.16 1x86 h ILE 898 Ca 0.01 -0.08 -0.00 0.00 1.00 0.00 0.00 64.86 65.79 1x86 h ILE 898 Cb 0.39 0.65 -0.02 0.00 -0.74 0.00 0.00 36.82 37.10 1x86 h ILE 898 CO 0.00 0.04 0.26 0.50 0.00 0.00 0.00 178.15 178.96 1x86 h LYS 899 N 0.23 0.60 0.12 2.37 1.63 -1.09 -1.14 116.57 119.29 1x86 h LYS 899 Ca 0.14 -0.05 -0.01 0.00 -0.85 0.00 0.00 60.65 59.88 1x86 h LYS 899 Cb 0.13 -0.13 0.00 0.00 -0.60 0.00 0.00 32.23 31.63 1x86 h LYS 899 CO -0.16 0.44 -0.06 1.03 -3.45 0.00 0.00 179.45 177.25 1x86 h SER 900 N 0.58 -0.14 0.00 4.20 0.87 -0.80 -3.00 113.55 115.27 1x86 h SER 900 Ca 0.16 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.72 1x86 h SER 900 Cb -0.00 0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.00 1x86 h SER 900 CO -0.03 -0.09 0.22 0.03 -0.53 0.00 0.00 176.83 176.43 1x86 h ARG 901 N -0.18 0.00 -0.05 2.24 2.47 -0.16 0.27 114.38 118.96 1x86 h ARG 901 Ca -0.02 0.00 -0.04 0.00 -1.26 0.00 0.00 59.98 58.66 1x86 h ARG 901 Cb 0.13 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.45 1x86 h ARG 901 CO 0.03 0.00 -0.13 1.96 0.56 0.00 0.00 179.97 182.38 1x86 h GLN 902 N 0.00 0.18 -0.28 0.04 4.20 -1.22 -2.29 115.11 115.74 1x86 h GLN 902 Ca 0.00 -0.13 -0.06 0.00 0.06 0.00 0.00 58.65 58.52 1x86 h GLN 902 Cb 0.45 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.23 1x86 h GLN 902 CO 0.00 0.73 -0.11 0.87 -0.67 0.00 0.00 178.83 179.65 1x86 h LYS 903 N -0.34 0.46 0.00 1.46 6.56 -0.40 -3.28 116.57 121.02 1x86 h LYS 903 Ca -0.00 -0.12 0.00 0.00 -1.06 0.00 0.00 60.65 59.47 1x86 h LYS 903 Cb 0.74 -0.05 0.00 0.00 -0.57 0.00 0.00 32.23 32.34 1x86 h LYS 903 CO 0.03 0.57 -0.02 1.63 -2.06 0.00 0.00 179.45 179.60 1x86 n LYS 904 N -4.22 0.19 -3.53 3.15 4.76 -0.23 -4.82 118.16 113.46 1x86 n LYS 904 Ca 0.01 0.15 -0.21 0.00 -2.87 0.00 0.00 58.31 55.39 1x86 n LYS 904 Cb 0.30 -1.72 -0.14 0.00 -1.84 0.00 0.00 35.03 31.63 1x86 n LYS 904 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1x86 s ASP 905 N -4.11 1.84 0.13 4.39 -1.08 -0.86 -5.03 116.67 111.95 1x86 s ASP 905 Ca 0.11 -0.44 -0.16 0.00 -0.52 0.00 0.00 52.55 51.54 1x86 s ASP 905 Cb 0.14 0.14 0.05 0.00 -1.46 0.00 0.00 42.92 41.80 1x86 s ASP 905 CO 0.58 -0.34 1.00 -1.20 0.52 0.00 0.00 175.17 175.73 1x86 n SER 906 N 5.30 -0.56 0.11 -0.34 7.64 -1.26 -1.25 113.62 123.26 1x86 n SER 906 Ca -0.06 1.14 -0.17 0.00 1.01 0.00 0.00 58.87 60.79 1x86 n SER 906 Cb 0.49 -0.20 -0.14 0.00 -1.01 0.00 0.00 64.21 63.34 1x86 n SER 906 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 1x86 h ARG 907 N 0.00 0.31 -0.19 1.43 3.08 -1.95 -0.93 114.38 116.13 1x86 h ARG 907 Ca 0.16 -0.53 -0.10 0.00 0.07 0.00 0.00 59.98 59.59 1x86 h ARG 907 Cb 0.32 0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.56 1x86 h ARG 907 CO -0.63 1.25 -0.30 0.35 -1.07 0.00 0.00 179.97 179.58 1x86 h PHE 908 N 0.09 0.42 0.05 3.04 3.57 -1.63 0.14 116.94 122.62 1x86 h PHE 908 Ca -0.15 -0.09 -0.08 0.00 3.53 0.00 0.00 57.97 61.18 1x86 h PHE 908 Cb 1.99 -0.10 0.01 0.00 2.79 0.00 0.00 35.95 40.64 1x86 h PHE 908 CO 0.07 0.64 -0.37 0.37 -2.23 0.00 0.00 178.31 176.79 1x86 h GLN 909 N 0.33 0.11 -0.77 1.11 -0.00 -1.14 -1.99 115.11 112.76 1x86 h GLN 909 Ca 0.04 -0.19 0.12 0.00 -0.00 0.00 0.00 58.65 58.63 1x86 h GLN 909 Cb 0.70 0.07 -0.12 0.00 0.00 0.00 0.00 27.48 28.12 1x86 h GLN 909 CO 0.05 1.09 -0.30 2.41 0.00 0.00 0.00 178.83 182.08 1x86 n THR 910 N -4.42 -0.40 -0.16 2.39 -1.04 -0.36 -1.20 114.28 109.09 1x86 n THR 910 Ca -0.13 1.80 -0.08 0.00 -2.04 0.00 0.00 64.05 63.60 1x86 n THR 910 Cb 0.62 -2.37 0.01 0.00 -1.82 0.00 0.00 70.33 66.76 1x86 n THR 910 CO 0.00 0.00 0.00 0.15 -0.64 0.00 0.00 175.07 174.58 1x86 h PHE 911 N 0.00 0.68 -0.19 -1.42 3.57 -0.57 -1.59 116.94 117.42 1x86 h PHE 911 Ca 0.27 -0.03 -0.15 0.00 3.53 0.00 0.00 57.97 61.58 1x86 h PHE 911 Cb 0.46 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.98 1x86 h PHE 911 CO -0.67 0.54 -0.52 0.28 -2.23 0.00 0.00 178.31 175.70 1x86 h VAL 912 N 0.62 1.32 0.45 1.41 2.07 -0.76 -1.96 116.25 119.40 1x86 h VAL 912 Ca 0.16 -1.76 -0.02 0.00 0.82 0.00 0.00 66.70 65.90 1x86 h VAL 912 Cb 0.11 1.74 0.00 0.00 -1.52 0.00 0.00 31.29 31.63 1x86 h VAL 912 CO -0.02 0.55 -0.22 -0.61 0.02 0.00 0.00 177.57 177.29 1x86 h GLN 913 N 0.42 -0.58 -0.72 1.57 4.15 -0.83 -0.91 115.11 118.21 1x86 h GLN 913 Ca 0.01 0.04 0.08 0.00 0.77 0.00 0.00 58.65 59.56 1x86 h GLN 913 Cb 1.06 0.13 -0.07 0.00 0.21 0.00 0.00 27.48 28.81 1x86 h GLN 913 CO 0.10 -0.31 0.37 0.22 -1.93 0.00 0.00 178.83 177.29 1x86 h ASP 914 N -0.77 0.51 -0.23 -0.69 1.82 -1.29 -0.46 116.42 115.31 1x86 h ASP 914 Ca -0.06 0.05 -0.02 0.00 -0.39 0.00 0.00 57.03 56.61 1x86 h ASP 914 Cb 0.54 -0.04 -0.02 0.00 0.68 0.00 0.00 39.33 40.49 1x86 h ASP 914 CO 0.10 0.30 0.08 0.00 -1.61 0.00 0.00 179.24 178.12 1x86 h ALA 915 N 1.41 1.58 0.00 -0.78 0.00 -1.17 -2.51 119.26 117.79 1x86 h ALA 915 Ca 0.34 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 55.09 1x86 h ALA 915 Cb 0.32 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1x86 h ALA 915 CO -0.24 0.32 -0.21 0.93 0.00 0.00 0.00 179.25 180.05 1x86 h GLU 916 N 0.43 0.00 -0.15 0.00 5.08 0.37 -2.01 114.58 118.29 1x86 h GLU 916 Ca 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1x86 h GLU 916 Cb 0.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1x86 h GLU 916 CO -0.01 0.21 0.00 -1.13 -1.00 0.00 0.00 179.01 177.08 1x86 n SER 917 N -3.39 0.88 -4.69 1.42 3.41 -0.95 -4.51 113.62 105.78 1x86 n SER 917 Ca -0.00 -1.92 -0.41 0.00 -0.26 0.00 0.00 58.87 56.29 1x86 n SER 917 Cb 0.41 -0.10 -0.04 0.00 -0.26 0.00 0.00 64.21 64.22 1x86 n SER 917 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1x86 s ASN 918 N -1.11 7.01 0.20 4.04 3.84 -0.76 -4.93 114.94 123.23 1x86 s ASN 918 Ca 0.15 1.23 0.17 0.00 0.21 0.00 0.00 52.86 54.61 1x86 s ASN 918 Cb 0.08 -2.45 0.82 0.00 -0.55 0.00 0.00 41.25 39.15 1x86 s ASN 918 CO 0.11 -0.26 1.52 -2.65 -2.79 0.00 0.00 177.10 173.02 1x86 n PRO 919 N 4.45 0.11 0.25 0.43 -0.02 -1.26 0.04 135.00 139.00 1x86 n PRO 919 Ca 0.02 0.51 0.18 0.00 -2.02 0.00 0.00 63.50 62.19 1x86 n PRO 919 Cb 0.50 -1.79 0.88 0.00 -0.02 0.00 0.00 33.50 33.07 1x86 n PRO 919 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1x86 h LEU 920 N 0.00 0.00 -0.78 2.45 3.38 -1.94 -1.38 115.31 117.04 1x86 h LEU 920 Ca 0.00 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.84 1x86 h LEU 920 Cb 0.12 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1x86 h LEU 920 CO 0.00 0.00 -0.58 0.00 0.09 0.00 0.00 178.44 177.95 1x86 n ARG 922 N -3.87 -1.21 -1.25 0.00 1.74 -0.52 -2.94 116.66 108.61 1x86 n ARG 922 Ca -0.02 0.80 -0.09 0.00 -0.77 0.00 0.00 57.85 57.78 1x86 n ARG 922 Cb 0.59 -5.12 -0.04 0.00 -1.02 0.00 0.00 32.46 26.87 1x86 n ARG 922 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1x86 n ARG 923 N -2.50 -1.12 -1.92 5.56 1.74 -1.26 -5.02 116.66 112.14 1x86 n ARG 923 Ca -0.18 0.74 -0.32 0.00 -0.77 0.00 0.00 57.85 57.32 1x86 n ARG 923 Cb 0.62 -4.80 0.02 0.00 -1.02 0.00 0.00 32.46 27.27 1x86 n ARG 923 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1x86 s LEU 924 N -1.96 3.40 0.51 0.55 1.43 -1.15 -5.09 118.68 116.36 1x86 s LEU 924 Ca 0.00 1.74 0.08 0.00 -1.03 0.00 0.00 54.13 54.93 1x86 s LEU 924 Cb 0.00 -4.52 0.04 0.00 0.03 0.00 0.00 46.19 41.74 1x86 s LEU 924 CO 0.00 -1.22 0.62 -1.10 0.23 0.00 0.00 176.35 174.88 1x86 s GLN 925 N -4.36 2.47 0.08 1.70 -0.21 -1.26 -4.88 119.66 113.19 1x86 s GLN 925 Ca 0.62 -1.58 -0.29 0.00 0.02 0.00 0.00 55.36 54.13 1x86 s GLN 925 Cb -0.15 -2.56 -0.16 0.00 1.00 0.00 0.00 33.01 31.14 1x86 s GLN 925 CO 0.42 -0.58 1.66 1.25 -2.12 0.00 0.00 175.29 175.93 1x86 h LEU 926 N 0.50 -0.53 -2.03 2.90 5.85 -1.97 -1.85 115.31 118.19 1x86 h LEU 926 Ca -0.35 0.03 0.13 0.00 0.84 0.00 0.00 57.88 58.53 1x86 h LEU 926 Cb 1.29 0.15 -0.02 0.00 0.37 0.00 0.00 40.66 42.45 1x86 h LEU 926 CO 0.47 -0.35 0.38 0.07 -0.34 0.00 0.00 178.44 178.66 1x86 h LYS 927 N -0.57 0.00 0.00 1.25 2.10 -2.00 0.20 116.57 117.56 1x86 h LYS 927 Ca -0.05 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.59 1x86 h LYS 927 Cb 0.46 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.78 1x86 h LYS 927 CO 0.06 0.00 -0.20 -0.44 -2.00 0.00 0.00 179.45 176.87 1x86 h ASP 928 N 0.00 0.00 0.56 7.07 5.19 -1.76 -3.34 116.42 124.13 1x86 h ASP 928 Ca 0.22 0.00 -0.20 0.00 -0.62 0.00 0.00 57.03 56.43 1x86 h ASP 928 Cb 0.98 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 40.45 1x86 h ASP 928 CO -0.00 0.07 -1.60 -0.38 -3.12 0.00 0.00 179.24 174.21 1x86 n ILE 929 N -3.06 1.22 -0.18 0.35 5.41 0.68 -4.46 119.36 119.33 1x86 n ILE 929 Ca 0.03 -0.72 -0.09 0.00 1.00 0.00 0.00 62.75 62.97 1x86 n ILE 929 Cb 0.56 -0.73 0.01 0.00 -0.71 0.00 0.00 39.64 38.77 1x86 n ILE 929 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 1x86 h ILE 930 N 0.00 1.25 0.00 1.39 2.04 -1.58 -3.01 117.51 117.60 1x86 h ILE 930 Ca -0.22 -0.93 0.00 0.00 1.00 0.00 0.00 64.86 64.71 1x86 h ILE 930 Cb 1.70 0.87 0.00 0.00 -0.74 0.00 0.00 36.82 38.65 1x86 h ILE 930 CO 0.05 0.33 0.00 -2.65 0.00 0.00 0.00 178.15 175.88 1x86 n PRO 931 N -4.40 0.14 0.09 2.37 -0.02 -1.26 -3.87 135.00 128.04 1x86 n PRO 931 Ca 0.01 0.00 -0.04 0.00 -2.02 0.00 0.00 63.50 61.45 1x86 n PRO 931 Cb 0.26 -1.31 -0.05 0.00 -0.02 0.00 0.00 33.50 32.37 1x86 n PRO 931 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 1x86 h THR 932 N 0.00 1.50 -0.91 3.45 1.35 -1.81 -2.55 112.91 113.95 1x86 h THR 932 Ca 0.00 -3.03 -0.02 0.00 -0.55 0.00 0.00 66.41 62.82 1x86 h THR 932 Cb 0.00 2.68 -0.04 0.00 -1.73 0.00 0.00 68.15 69.06 1x86 h THR 932 CO 0.00 0.83 0.50 -0.61 -0.25 0.00 0.00 175.52 175.99 1x86 h GLN 933 N 0.00 1.26 0.10 4.72 5.75 -1.85 0.13 115.11 125.22 1x86 h GLN 933 Ca -0.01 -0.15 -0.00 0.00 -0.15 0.00 0.00 58.65 58.34 1x86 h GLN 933 Cb 1.61 -0.25 0.00 0.00 1.07 0.00 0.00 27.48 29.92 1x86 h GLN 933 CO 0.11 0.92 -0.05 1.98 -2.65 0.00 0.00 178.83 179.15 1x86 h MET 934 N 1.27 -0.13 -0.15 1.69 4.05 -1.86 -2.75 114.93 117.06 1x86 h MET 934 Ca 0.32 0.01 0.03 0.00 -0.28 0.00 0.00 59.70 59.78 1x86 h MET 934 Cb 0.03 0.03 -0.06 0.00 -0.80 0.00 0.00 31.60 30.79 1x86 h MET 934 CO -0.05 0.01 -0.53 1.96 0.23 0.00 0.00 176.91 178.52 1x86 h GLN 935 N -0.24 -0.54 0.37 0.39 4.20 -0.74 -2.74 115.11 115.81 1x86 h GLN 935 Ca -0.01 0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.72 1x86 h GLN 935 Cb 0.19 0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.08 1x86 h GLN 935 CO 0.02 -0.36 -0.43 -0.09 -0.67 0.00 0.00 178.83 177.31 1x86 h ARG 936 N -0.56 -0.78 -0.44 1.46 9.65 -0.67 0.14 114.38 123.19 1x86 h ARG 936 Ca 0.03 0.05 0.14 0.00 -1.10 0.00 0.00 59.98 59.11 1x86 h ARG 936 Cb 0.66 0.18 -0.08 0.00 -1.39 0.00 0.00 29.97 29.34 1x86 h ARG 936 CO -0.43 -0.52 0.09 1.28 2.80 0.00 0.00 179.97 183.19 1x86 n LEU 937 N -4.97 0.02 0.04 3.80 4.77 -1.05 0.17 117.00 119.78 1x86 n LEU 937 Ca -0.10 0.74 -0.02 0.00 -0.03 0.00 0.00 56.01 56.60 1x86 n LEU 937 Cb 0.38 -0.30 0.26 0.00 -2.33 0.00 0.00 43.42 41.42 1x86 n LEU 937 CO 0.20 -0.77 0.80 0.00 -1.33 0.00 0.00 177.39 176.29 1x86 h THR 938 N 0.00 1.24 0.05 -5.08 1.03 -0.40 -3.13 112.91 106.62 1x86 h THR 938 Ca 0.30 -1.10 -0.26 0.00 -0.01 0.00 0.00 66.41 65.35 1x86 h THR 938 Cb 0.71 1.26 -0.02 0.00 -1.07 0.00 0.00 68.15 69.03 1x86 h THR 938 CO -0.38 0.35 -1.27 0.11 -0.01 0.00 0.00 175.52 174.32 1x86 h LYS 939 N 0.39 0.11 -1.11 0.00 1.79 0.19 -3.37 116.57 114.57 1x86 h LYS 939 Ca 0.07 -0.19 0.43 0.00 -2.18 0.00 0.00 60.65 58.78 1x86 h LYS 939 Cb 0.55 0.07 -0.17 0.00 -1.58 0.00 0.00 32.23 31.11 1x86 h LYS 939 CO 0.04 1.00 0.64 1.88 -1.08 0.00 0.00 179.45 181.93 1x86 h TYR 940 N 0.03 0.74 -0.00 -1.35 0.05 -1.44 0.38 116.97 115.38 1x86 h TYR 940 Ca -0.13 0.04 0.00 0.00 0.05 0.00 0.00 58.73 58.69 1x86 h TYR 940 Cb 1.90 -0.17 0.00 0.00 1.01 0.00 0.00 36.73 39.47 1x86 h TYR 940 CO 0.03 -0.41 -0.25 -0.35 -1.05 0.00 0.00 178.16 176.12 1x86 n PRO 941 N -5.10 0.03 0.10 4.88 -0.05 -1.26 -2.05 135.00 131.55 1x86 n PRO 941 Ca 0.38 -0.01 -0.07 0.00 -0.05 0.00 0.00 63.50 63.76 1x86 n PRO 941 Cb 1.36 -1.50 -0.04 0.00 -0.05 0.00 0.00 33.50 33.27 1x86 n PRO 941 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 175.50 175.38 1x86 h LEU 942 N 0.03 -0.29 -0.61 1.53 3.38 -0.50 -2.33 115.31 116.52 1x86 h LEU 942 Ca 0.00 -0.06 0.11 0.00 0.09 0.00 0.00 57.88 58.02 1x86 h LEU 942 Cb 0.49 0.07 -0.08 0.00 0.09 0.00 0.00 40.66 41.24 1x86 h LEU 942 CO 0.00 0.19 0.17 -0.07 0.09 0.00 0.00 178.44 178.83 1x86 h LEU 943 N -1.06 0.10 -0.65 1.67 4.07 -1.48 0.27 115.31 118.22 1x86 h LEU 943 Ca -0.03 0.10 -0.02 0.00 0.08 0.00 0.00 57.88 58.00 1x86 h LEU 943 Cb 0.33 0.12 -0.03 0.00 1.08 0.00 0.00 40.66 42.16 1x86 h LEU 943 CO 0.06 0.06 0.32 -0.07 -1.08 0.00 0.00 178.44 177.73 1x86 h LEU 944 N 0.32 0.84 -1.30 1.67 3.38 -1.53 -1.41 115.31 117.28 1x86 h LEU 944 Ca 0.32 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 58.14 1x86 h LEU 944 Cb 0.45 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 1x86 h LEU 944 CO -0.37 0.72 0.16 0.44 0.09 0.00 0.00 178.44 179.48 1x86 h ASP 945 N 0.89 0.58 0.30 -0.43 3.32 -0.19 0.14 116.42 121.04 1x86 h ASP 945 Ca 0.22 -0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.19 1x86 h ASP 945 Cb 0.10 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.50 1x86 h ASP 945 CO -0.03 0.55 -0.14 0.78 -1.72 0.00 0.00 179.24 178.67 1x86 h ASN 946 N 0.64 -0.34 -0.39 6.45 2.35 -0.06 0.34 115.58 124.56 1x86 h ASN 946 Ca 0.15 0.01 0.10 0.00 -0.55 0.00 0.00 56.30 56.02 1x86 h ASN 946 Cb 0.16 0.09 -0.07 0.00 0.05 0.00 0.00 38.32 38.55 1x86 h ASN 946 CO -0.01 -0.12 -0.01 -0.38 -1.65 0.00 0.00 177.43 175.26 1x86 n ILE 947 N -3.76 -0.16 0.01 2.81 5.41 -0.58 0.16 119.36 123.24 1x86 n ILE 947 Ca -0.05 0.86 -0.10 0.00 1.00 0.00 0.00 62.75 64.46 1x86 n ILE 947 Cb 0.16 -1.24 0.05 0.00 -0.71 0.00 0.00 39.64 37.89 1x86 n ILE 947 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1x86 h ALA 948 N 0.77 0.67 -0.20 -1.39 0.00 -0.53 -2.78 119.26 115.80 1x86 h ALA 948 Ca 0.23 -0.53 -0.06 0.00 0.00 0.00 0.00 54.91 54.55 1x86 h ALA 948 Cb 0.45 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1x86 h ALA 948 CO -0.37 0.70 -0.14 -0.22 0.00 0.00 0.00 179.25 179.21 1x86 h LYS 949 N 0.42 0.32 -0.62 0.00 3.64 0.37 -2.94 116.57 117.76 1x86 h LYS 949 Ca 0.00 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 1x86 h LYS 949 Cb 1.13 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.91 1x86 h LYS 949 CO 0.11 0.47 0.00 0.66 -2.27 0.00 0.00 179.45 178.42 1x86 n TYR 950 N -4.23 1.57 -3.11 1.91 4.01 -0.58 -4.92 117.16 111.81 1x86 n TYR 950 Ca -0.00 -0.64 -0.43 0.00 -0.16 0.00 0.00 57.90 56.67 1x86 n TYR 950 Cb 0.30 -0.29 -0.07 0.00 -0.31 0.00 0.00 39.34 38.97 1x86 n TYR 950 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 1x86 s THR 951 N -2.03 4.83 0.24 -0.72 2.01 -1.06 -4.61 115.64 114.29 1x86 s THR 951 Ca 0.51 0.13 0.08 0.00 0.31 0.00 0.00 61.69 62.72 1x86 s THR 951 Cb 0.34 -4.21 -0.05 0.00 0.01 0.00 0.00 72.50 68.60 1x86 s THR 951 CO 0.23 -0.59 1.56 -0.33 -0.69 0.00 0.00 174.62 174.79 1x86 h GLU 952 N 8.87 0.08 -6.09 4.92 5.08 -1.91 -3.44 114.58 122.09 1x86 h GLU 952 Ca -0.25 -0.06 -0.60 0.00 -1.00 0.00 0.00 59.36 57.45 1x86 h GLU 952 Cb 1.10 0.01 -0.10 0.00 0.50 0.00 0.00 28.75 30.26 1x86 h GLU 952 CO 0.89 0.71 0.57 -1.58 -1.00 0.00 0.00 179.01 178.61 1x86 s TRP 953 N -3.55 3.01 0.00 4.33 0.52 -1.26 -4.98 118.94 117.01 1x86 s TRP 953 Ca -0.02 0.59 0.00 0.00 0.02 0.00 0.00 56.10 56.69 1x86 s TRP 953 Cb 0.12 -3.77 0.00 0.00 -1.15 0.00 0.00 33.47 28.67 1x86 s TRP 953 CO 0.78 -0.94 0.39 -2.30 0.02 0.00 0.00 176.95 174.90 1x86 n PRO 954 N 6.91 0.00 0.19 4.98 -0.01 -1.26 -0.17 135.00 145.64 1x86 n PRO 954 Ca 0.06 0.39 0.04 0.00 -0.01 0.00 0.00 63.50 63.98 1x86 n PRO 954 Cb 0.48 -0.60 0.40 0.00 -0.01 0.00 0.00 33.50 33.77 1x86 n PRO 954 CO 0.00 0.00 0.00 1.15 -0.01 0.00 0.00 175.50 176.64 1x86 h THR 955 N 0.00 1.14 0.00 3.45 2.02 -1.99 -1.71 112.91 115.82 1x86 h THR 955 Ca 0.00 -1.23 -0.13 0.00 0.77 0.00 0.00 66.41 65.82 1x86 h THR 955 Cb 0.00 1.68 -0.02 0.00 -1.74 0.00 0.00 68.15 68.07 1x86 h THR 955 CO 0.00 0.34 -1.37 1.21 0.37 0.00 0.00 175.52 176.07 1x86 n GLU 956 N -3.97 0.62 0.06 6.66 0.00 -1.07 -3.66 120.64 119.28 1x86 n GLU 956 Ca -0.02 0.18 -0.12 0.00 0.00 0.00 0.00 57.16 57.20 1x86 n GLU 956 Cb 0.40 -1.80 -0.07 0.00 0.00 0.00 0.00 31.44 29.98 1x86 n GLU 956 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.13 177.04 1x86 h ARG 957 N 0.00 -0.07 -1.00 5.31 2.43 0.34 -2.95 114.38 118.45 1x86 h ARG 957 Ca -0.13 0.00 0.11 0.00 -0.81 0.00 0.00 59.98 59.16 1x86 h ARG 957 Cb 1.45 0.02 -0.08 0.00 -0.42 0.00 0.00 29.97 30.93 1x86 h ARG 957 CO 0.03 -0.04 0.63 1.49 -1.51 0.00 0.00 179.97 180.57 1x86 h GLU 958 N -0.07 0.97 -0.68 0.20 4.57 -1.57 0.38 114.58 118.38 1x86 h GLU 958 Ca 0.00 -0.06 0.12 0.00 -1.18 0.00 0.00 59.36 58.24 1x86 h GLU 958 Cb 0.07 -0.22 -0.08 0.00 -0.16 0.00 0.00 28.75 28.35 1x86 h GLU 958 CO -0.01 0.64 0.26 0.87 -1.18 0.00 0.00 179.01 179.59 1x86 h LYS 959 N 1.00 0.42 0.00 1.92 1.57 -1.59 -2.03 116.57 117.86 1x86 h LYS 959 Ca 0.49 -0.03 -0.10 0.00 -1.87 0.00 0.00 60.65 59.15 1x86 h LYS 959 Cb 0.46 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.66 1x86 h LYS 959 CO -0.25 0.28 -0.45 0.28 -0.57 0.00 0.00 179.45 178.73 1x86 h VAL 960 N 0.43 1.25 -0.17 0.50 2.07 -0.87 -0.71 116.25 118.75 1x86 h VAL 960 Ca 0.36 -1.59 -0.19 0.00 0.82 0.00 0.00 66.70 66.10 1x86 h VAL 960 Cb 0.49 1.87 -0.00 0.00 -1.52 0.00 0.00 31.29 32.13 1x86 h VAL 960 CO -0.35 0.44 -0.65 0.11 0.02 0.00 0.00 177.57 177.15 1x86 h LYS 961 N 0.00 0.64 0.12 1.57 1.57 -0.79 -2.55 116.57 117.14 1x86 h LYS 961 Ca -0.00 -0.46 -0.01 0.00 -1.87 0.00 0.00 60.65 58.31 1x86 h LYS 961 Cb 0.84 0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.22 1x86 h LYS 961 CO 0.06 1.08 -0.06 -0.22 -0.57 0.00 0.00 179.45 179.74 1x86 h LYS 962 N 0.47 -0.16 -1.27 3.15 3.64 -0.99 -2.74 116.57 118.67 1x86 h LYS 962 Ca -0.01 0.01 0.40 0.00 -1.27 0.00 0.00 60.65 59.78 1x86 h LYS 962 Cb 1.23 0.04 -0.12 0.00 -0.41 0.00 0.00 32.23 32.97 1x86 h LYS 962 CO 0.13 0.32 0.82 0.00 -2.27 0.00 0.00 179.45 178.44 1x86 h ALA 963 N -0.21 2.66 0.36 5.00 0.00 -1.18 0.30 119.26 126.19 1x86 h ALA 963 Ca -0.02 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1x86 h ALA 963 Cb 0.55 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1x86 h ALA 963 CO 0.03 -1.23 -0.17 0.00 0.00 0.00 0.00 179.25 177.87 1x86 h ALA 964 N 1.59 -0.48 -0.93 0.00 0.00 -1.40 -2.09 119.26 115.94 1x86 h ALA 964 Ca 0.77 -0.15 0.27 0.00 0.00 0.00 0.00 54.91 55.80 1x86 h ALA 964 Cb 2.36 0.19 -0.15 0.00 0.00 0.00 0.00 17.79 20.19 1x86 h ALA 964 CO -0.38 -0.70 0.34 0.22 0.00 0.00 0.00 179.25 178.74 1x86 h ASP 965 N -0.63 0.15 1.29 0.00 3.58 -0.14 0.37 116.42 121.03 1x86 h ASP 965 Ca -0.05 0.20 -0.03 0.00 0.42 0.00 0.00 57.03 57.57 1x86 h ASP 965 Cb 0.46 0.24 -0.00 0.00 1.72 0.00 0.00 39.33 41.74 1x86 h ASP 965 CO 0.08 -0.17 -0.13 0.45 -2.88 0.00 0.00 179.24 176.59 1x86 h HIS 966 N 0.23 0.00 0.00 0.28 3.86 -1.15 -0.78 115.15 117.59 1x86 h HIS 966 Ca 0.62 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.83 1x86 h HIS 966 Cb 1.33 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.80 1x86 h HIS 966 CO -0.19 0.13 0.00 0.00 0.86 0.00 0.00 177.93 178.73 1x86 h ARG 968 N 0.00 0.00 -0.75 0.00 2.47 -0.70 -3.06 114.38 112.34 1x86 h ARG 968 Ca 0.00 0.00 0.07 0.00 -1.26 0.00 0.00 59.98 58.79 1x86 h ARG 968 Cb 0.56 0.00 -0.06 0.00 -1.65 0.00 0.00 29.97 28.82 1x86 h ARG 968 CO 0.00 0.85 0.42 1.96 0.56 0.00 0.00 179.97 183.76 1x86 h GLN 969 N -1.00 0.73 -0.90 0.04 4.20 -1.15 1.29 115.11 118.32 1x86 h GLN 969 Ca -0.10 -0.04 0.24 0.00 0.06 0.00 0.00 58.65 58.80 1x86 h GLN 969 Cb 0.97 -0.16 -0.13 0.00 0.30 0.00 0.00 27.48 28.45 1x86 h GLN 969 CO -0.06 0.48 0.36 0.82 -0.67 0.00 0.00 178.83 179.76 1x86 h ILE 970 N 0.75 0.39 -0.11 2.54 2.04 -1.58 -2.09 117.51 119.46 1x86 h ILE 970 Ca 0.34 -0.11 -0.03 0.00 1.00 0.00 0.00 64.86 66.06 1x86 h ILE 970 Cb 0.25 0.05 -0.00 0.00 -0.74 0.00 0.00 36.82 36.37 1x86 h ILE 970 CO -0.21 0.06 -0.06 -0.07 0.00 0.00 0.00 178.15 177.87 1x86 h LEU 971 N 0.32 0.25 -0.53 1.44 3.38 0.17 -1.18 115.31 119.14 1x86 h LEU 971 Ca 0.58 -0.43 0.04 0.00 0.09 0.00 0.00 57.88 58.16 1x86 h LEU 971 Cb 1.17 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.81 1x86 h LEU 971 CO -0.59 0.62 0.29 0.78 0.09 0.00 0.00 178.44 179.64 1x86 h ASN 972 N -0.13 0.44 -0.18 -0.43 2.35 -0.52 0.35 115.58 117.45 1x86 h ASN 972 Ca 0.02 0.02 0.05 0.00 -0.55 0.00 0.00 56.30 55.84 1x86 h ASN 972 Cb 0.54 -0.07 -0.07 0.00 0.05 0.00 0.00 38.32 38.77 1x86 h ASN 972 CO 0.02 0.30 -0.40 0.15 -1.65 0.00 0.00 177.43 175.85 1x86 h PHE 973 N 0.57 -1.16 -0.27 1.19 3.57 -1.27 0.50 116.94 120.07 1x86 h PHE 973 Ca 0.23 0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.77 1x86 h PHE 973 Cb 0.09 0.53 -0.01 0.00 2.79 0.00 0.00 35.95 39.35 1x86 h PHE 973 CO -0.08 -0.46 0.14 0.28 -2.23 0.00 0.00 178.31 175.96 1x86 h VAL 974 N -0.44 1.09 -0.11 1.41 2.07 -0.35 0.51 116.25 120.43 1x86 h VAL 974 Ca 0.09 -0.23 -0.01 0.00 0.82 0.00 0.00 66.70 67.37 1x86 h VAL 974 Cb 0.61 0.73 -0.00 0.00 -1.52 0.00 0.00 31.29 31.10 1x86 h VAL 974 CO -0.42 0.10 0.03 -1.13 0.02 0.00 0.00 177.57 176.16 1x86 h ASN 975 N 0.37 0.17 0.53 0.57 -1.24 0.11 -2.86 115.58 113.22 1x86 h ASN 975 Ca 0.10 -0.23 -0.18 0.00 0.71 0.00 0.00 56.30 56.70 1x86 h ASN 975 Cb 0.02 -0.04 -0.01 0.00 0.73 0.00 0.00 38.32 39.01 1x86 h ASN 975 CO -0.02 0.36 -0.78 -0.61 -1.29 0.00 0.00 177.43 175.09 1x86 h GLN 976 N -0.03 0.20 -0.85 6.67 5.75 0.10 -1.79 115.11 125.16 1x86 h GLN 976 Ca 0.03 -0.18 0.19 0.00 -0.15 0.00 0.00 58.65 58.54 1x86 h GLN 976 Cb 0.25 0.05 -0.11 0.00 1.07 0.00 0.00 27.48 28.74 1x86 h GLN 976 CO 0.00 0.88 0.35 0.00 -2.65 0.00 0.00 178.83 177.42 1x86 h ALA 977 N 1.06 1.28 0.00 3.38 0.00 -0.06 -2.61 119.26 122.31 1x86 h ALA 977 Ca -0.03 0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 1x86 h ALA 977 Cb 1.37 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.28 1x86 h ALA 977 CO 0.12 -0.28 -0.30 0.28 0.00 0.00 0.00 179.25 179.07 1x86 h VAL 978 N 0.42 0.52 0.08 0.00 2.07 -1.10 -2.60 116.25 115.64 1x86 h VAL 978 Ca 0.50 -1.70 -0.12 0.00 0.82 0.00 0.00 66.70 66.20 1x86 h VAL 978 Cb 0.88 2.23 0.01 0.00 -1.52 0.00 0.00 31.29 32.89 1x86 h VAL 978 CO -0.48 0.29 -0.54 0.50 0.02 0.00 0.00 177.57 177.35 1x86 h LYS 979 N 0.00 0.16 0.18 1.57 3.64 -1.20 -3.12 116.57 117.81 1x86 h LYS 979 Ca -0.00 -0.27 -0.01 0.00 -1.27 0.00 0.00 60.65 59.09 1x86 h LYS 979 Cb 1.21 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 33.13 1x86 h LYS 979 CO 0.04 1.13 -0.09 0.93 -2.27 0.00 0.00 179.45 179.19 1x86 h GLU 980 N -0.65 -0.25 -0.02 1.90 5.08 -1.54 0.25 114.58 119.34 1x86 h GLU 980 Ca -0.10 0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.28 1x86 h GLU 980 Cb 1.37 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.68 1x86 h GLU 980 CO 0.07 -0.17 0.02 0.00 -1.00 0.00 0.00 179.01 177.93 1x86 h ALA 981 N 0.56 1.80 0.00 3.43 0.00 -1.52 -0.62 119.26 122.91 1x86 h ALA 981 Ca -0.02 -0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.61 1x86 h ALA 981 Cb 0.20 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.94 1x86 h ALA 981 CO 0.04 -0.03 -2.25 -0.85 0.00 0.00 0.00 179.25 176.15 1x86 n GLU 982 N -4.21 0.78 -0.10 0.00 0.28 -1.17 -3.78 120.64 112.44 1x86 n GLU 982 Ca -0.02 -0.05 0.06 0.00 -0.16 0.00 0.00 57.16 56.98 1x86 n GLU 982 Cb 0.11 -1.50 0.40 0.00 1.43 0.00 0.00 31.44 31.88 1x86 n GLU 982 CO 0.00 0.00 0.00 -0.91 -0.16 0.00 0.00 177.13 176.06 1x86 h ASN 983 N 0.00 0.56 0.71 -1.84 4.21 -0.36 0.67 115.58 119.53 1x86 h ASN 983 Ca -0.41 -0.00 -0.03 0.00 1.21 0.00 0.00 56.30 57.06 1x86 h ASN 983 Cb 1.93 -0.13 0.00 0.00 -1.12 0.00 0.00 38.32 39.01 1x86 h ASN 983 CO 0.02 0.38 -0.37 0.50 -1.29 0.00 0.00 177.43 176.67 1x86 h LYS 984 N 0.64 -0.95 0.00 0.81 3.64 -1.29 -2.06 116.57 117.37 1x86 h LYS 984 Ca 0.24 0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.69 1x86 h LYS 984 Cb 0.15 0.22 0.00 0.00 -0.41 0.00 0.00 32.23 32.18 1x86 h LYS 984 CO -0.07 -0.63 0.00 0.37 -2.27 0.00 0.00 179.45 176.85 1x86 h GLN 985 N -0.99 0.00 0.13 1.90 5.75 -1.44 -2.23 115.11 118.24 1x86 h GLN 985 Ca -0.09 0.00 -0.31 0.00 -0.15 0.00 0.00 58.65 58.09 1x86 h GLN 985 Cb 0.77 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.32 1x86 h GLN 985 CO 0.14 0.00 -1.54 0.00 -2.65 0.00 0.00 178.83 174.79 1x86 h ARG 986 N 0.00 0.28 -0.37 1.69 3.08 0.49 -3.10 114.38 116.45 1x86 h ARG 986 Ca 0.00 -0.48 -0.05 0.00 0.07 0.00 0.00 59.98 59.52 1x86 h ARG 986 Cb 0.22 0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.44 1x86 h ARG 986 CO 0.00 1.16 0.04 -0.07 -1.07 0.00 0.00 179.97 180.03 1x86 h LEU 987 N 0.08 0.60 -1.04 3.04 3.38 -0.95 0.11 115.31 120.52 1x86 h LEU 987 Ca -0.25 -0.28 0.27 0.00 0.09 0.00 0.00 57.88 57.71 1x86 h LEU 987 Cb 2.03 -0.16 -0.13 0.00 0.09 0.00 0.00 40.66 42.49 1x86 h LEU 987 CO 0.17 0.73 0.60 -0.33 0.09 0.00 0.00 178.44 179.70 1x86 h GLU 988 N 0.46 0.49 0.10 1.13 5.08 -1.52 0.22 114.58 120.54 1x86 h GLU 988 Ca 0.11 -0.03 -0.13 0.00 -1.00 0.00 0.00 59.36 58.31 1x86 h GLU 988 Cb 0.39 -0.11 0.01 0.00 0.50 0.00 0.00 28.75 29.55 1x86 h GLU 988 CO 0.01 0.33 -0.56 0.22 -1.00 0.00 0.00 179.01 178.01 1x86 h ASP 989 N 0.51 0.32 -0.44 1.42 3.58 -1.32 -3.10 116.42 117.39 1x86 h ASP 989 Ca 0.66 -0.97 -0.03 0.00 0.42 0.00 0.00 57.03 57.11 1x86 h ASP 989 Cb 1.36 -0.10 -0.02 0.00 1.72 0.00 0.00 39.33 42.29 1x86 h ASP 989 CO -0.49 1.27 0.15 1.88 -2.88 0.00 0.00 179.24 179.17 1x86 h TYR 990 N -0.57 0.69 -0.98 0.28 0.05 0.10 -0.30 116.97 116.23 1x86 h TYR 990 Ca -0.10 -0.07 0.16 0.00 0.05 0.00 0.00 58.73 58.78 1x86 h TYR 990 Cb 1.44 -0.20 -0.09 0.00 1.01 0.00 0.00 36.73 38.89 1x86 h TYR 990 CO 0.22 0.62 0.61 0.37 -1.05 0.00 0.00 178.16 178.94 1x86 h GLN 991 N 0.56 0.77 -0.17 4.88 5.75 -0.75 -2.06 115.11 124.09 1x86 h GLN 991 Ca 0.14 -0.05 -0.19 0.00 -0.15 0.00 0.00 58.65 58.41 1x86 h GLN 991 Cb 0.25 -0.17 -0.00 0.00 1.07 0.00 0.00 27.48 28.62 1x86 h GLN 991 CO -0.01 0.51 -0.65 -0.09 -2.65 0.00 0.00 178.83 175.94 1x86 h ARG 992 N 0.79 0.65 -2.24 1.69 2.43 -1.14 -3.20 114.38 113.36 1x86 h ARG 992 Ca 0.53 -0.47 -0.72 0.00 -0.81 0.00 0.00 59.98 58.51 1x86 h ARG 992 Cb 0.78 0.08 -0.21 0.00 -0.42 0.00 0.00 29.97 30.20 1x86 h ARG 992 CO -0.30 1.09 1.27 2.89 -1.51 0.00 0.00 179.97 183.40 1x86 n ARG 993 N -3.93 4.02 -3.98 0.20 1.85 -0.25 -4.96 116.66 109.61 1x86 n ARG 993 Ca -0.05 -3.64 -0.22 0.00 -1.00 0.00 0.00 57.85 52.94 1x86 n ARG 993 Cb 0.67 -2.40 -0.05 0.00 -1.05 0.00 0.00 32.46 29.63 1x86 n ARG 993 CO 0.00 0.00 0.00 -1.17 -0.01 0.00 0.00 177.63 176.45 1x86 s LEU 994 N -3.29 3.36 -0.14 2.89 2.96 -1.09 -1.18 118.68 122.18 1x86 s LEU 994 Ca 0.50 -0.71 -0.06 0.00 -0.22 0.00 0.00 54.13 53.64 1x86 s LEU 994 Cb 0.28 -1.88 0.06 0.00 0.50 0.00 0.00 46.19 45.16 1x86 s LEU 994 CO -0.21 -0.35 0.31 -0.62 -1.32 0.00 0.00 176.35 174.16 1x86 s ASP 995 N -3.91 -0.11 -0.01 3.68 2.15 -0.53 -4.73 116.67 113.20 1x86 s ASP 995 Ca 0.39 0.69 0.02 0.00 0.43 0.00 0.00 52.55 54.09 1x86 s ASP 995 Cb -0.03 0.72 0.03 0.00 -0.30 0.00 0.00 42.92 43.33 1x86 s ASP 995 CO 0.24 -0.21 0.90 0.35 -0.17 0.00 0.00 175.17 176.29 1x86 n THR 996 N 4.77 0.83 -0.12 1.71 -2.24 -1.26 -0.40 114.28 117.57 1x86 n THR 996 Ca -0.16 -0.87 -0.05 0.00 -2.27 0.00 0.00 64.05 60.70 1x86 n THR 996 Cb 0.52 0.54 0.03 0.00 -2.10 0.00 0.00 70.33 69.31 1x86 n THR 996 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1x86 h SER 997 N 0.00 0.01 0.00 3.42 4.64 -1.96 -2.60 113.55 117.06 1x86 h SER 997 Ca 0.00 0.06 -0.62 0.00 -0.47 0.00 0.00 61.79 60.76 1x86 h SER 997 Cb 0.69 0.09 0.01 0.00 -0.31 0.00 0.00 62.40 62.88 1x86 h SER 997 CO 0.00 0.04 2.88 -1.54 -0.87 0.00 0.00 176.83 177.35 1x86 n SER 998 N -5.09 4.39 -3.75 4.97 3.41 -1.26 -4.83 113.62 111.47 1x86 n SER 998 Ca 0.02 -2.65 -0.22 0.00 -0.26 0.00 0.00 58.87 55.76 1x86 n SER 998 Cb 0.17 -1.36 -0.18 0.00 -0.26 0.00 0.00 64.21 62.59 1x86 n SER 998 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1x86 s LEU 999 N 1.15 0.48 -1.17 1.04 2.96 -0.98 -4.67 118.68 117.49 1x86 s LEU 999 Ca 0.53 -0.04 -0.21 0.00 -0.22 0.00 0.00 54.13 54.19 1x86 s LEU 999 Cb 0.14 -0.36 0.01 0.00 0.50 0.00 0.00 46.19 46.48 1x86 s LEU 999 CO -0.01 -0.21 1.77 -1.59 -1.32 0.00 0.00 176.35 175.00 1x86 s LYS 1000N 2.02 3.32 0.07 1.98 -2.85 -1.26 -4.83 119.74 118.19 1x86 s LYS 1000Ca 0.05 -1.41 -0.00 0.00 -1.00 0.00 0.00 55.97 53.61 1x86 s LYS 1000Cb -0.12 -5.37 0.16 0.00 -2.06 0.00 0.00 37.83 30.44 1x86 s LYS 1000CO -0.05 -2.88 0.38 1.28 0.10 0.00 0.00 175.35 174.18 1x86 n LEU 1001N 10.87 -0.05 -4.01 2.77 4.77 -1.26 -2.47 117.00 127.63 1x86 n LEU 1001Ca 0.44 0.42 -0.32 0.00 -0.03 0.00 0.00 56.01 56.51 1x86 n LEU 1001Cb 0.47 -0.14 -0.10 0.00 -2.33 0.00 0.00 43.42 41.31 1x86 n LEU 1001CO 0.70 -0.42 0.06 -0.55 -1.33 0.00 0.00 177.39 175.86 1x86 s SER 1002N -5.02 5.13 0.41 -1.43 0.15 -1.26 -4.79 113.70 106.89 1x86 s SER 1002Ca -0.03 -3.46 0.00 0.00 0.70 0.00 0.00 55.95 53.15 1x86 s SER 1002Cb 0.07 -1.76 0.00 0.00 -1.71 0.00 0.00 66.02 62.62 1x86 s SER 1002CO 0.19 -0.20 0.00 -0.62 1.20 0.00 0.00 173.24 173.82 1x86 n GLU 1003N 2.59 0.00 -3.90 5.44 1.02 -1.03 -5.10 120.64 119.65 1x86 n GLU 1003Ca 0.15 0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 56.99 1x86 n GLU 1003Cb 0.36 0.00 -0.15 0.00 -0.02 0.00 0.00 31.44 31.62 1x86 n GLU 1003CO 0.00 0.00 0.00 1.52 1.18 0.00 0.00 177.13 179.83 1x86 s TYR 1004N -1.85 2.41 -0.44 -0.32 -0.00 -1.26 -4.99 117.35 110.90 1x86 s TYR 1004Ca 0.00 -1.91 0.00 0.00 -0.00 0.00 0.00 57.07 55.16 1x86 s TYR 1004Cb 0.00 -1.80 0.00 0.00 -0.00 0.00 0.00 41.96 40.16 1x86 s TYR 1004CO 0.00 -0.82 0.46 -2.30 -0.00 0.00 0.00 175.55 172.89 1x86 n PRO 1005N 4.66 0.00 -0.59 -3.49 -0.02 -1.26 -0.77 135.00 133.52 1x86 n PRO 1005Ca -0.07 0.09 0.47 0.00 -2.02 0.00 0.00 63.50 61.97 1x86 n PRO 1005Cb 0.43 -1.71 0.77 0.00 -0.02 0.00 0.00 33.50 32.98 1x86 n PRO 1005CO 0.00 0.00 0.00 -0.97 1.98 0.00 0.00 175.50 176.51 1x86 h ASN 1006N 0.00 0.07 -0.33 2.55 -1.24 -1.99 -3.37 115.58 111.26 1x86 h ASN 1006Ca 0.00 0.04 0.00 0.00 0.71 0.00 0.00 56.30 57.05 1x86 h ASN 1006Cb 0.41 0.04 0.00 0.00 0.73 0.00 0.00 38.32 39.50 1x86 h ASN 1006CO 0.00 -0.06 0.00 0.55 -1.29 0.00 0.00 177.43 176.63 1x86 n VAL 1007N -4.19 0.44 -0.03 2.57 3.14 0.05 -3.52 118.33 116.80 1x86 n VAL 1007Ca 0.41 -0.46 -0.16 0.00 -2.96 0.00 0.00 64.34 61.17 1x86 n VAL 1007Cb 1.78 0.25 -0.13 0.00 -1.06 0.00 0.00 33.84 34.68 1x86 n VAL 1007CO 0.00 0.00 0.00 -0.08 -6.46 0.00 0.00 176.83 170.29 1x86 h GLU 1008N 2.08 0.11 -1.51 1.45 4.81 -1.87 -2.31 114.58 117.34 1x86 h GLU 1008Ca 0.00 -0.18 0.44 0.00 -0.13 0.00 0.00 59.36 59.48 1x86 h GLU 1008Cb 0.47 0.07 -0.06 0.00 0.63 0.00 0.00 28.75 29.86 1x86 h GLU 1008CO 0.00 1.07 1.18 1.49 -0.73 0.00 0.00 179.01 182.03 1x86 h GLU 1009N -0.75 0.00 0.07 1.92 4.81 -1.89 -0.43 114.58 118.31 1x86 h GLU 1009Ca -0.05 0.00 -0.33 0.00 -0.13 0.00 0.00 59.36 58.86 1x86 h GLU 1009Cb 1.21 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.56 1x86 h GLU 1009CO 0.05 0.00 -1.80 1.28 -0.73 0.00 0.00 179.01 177.82 1x86 n LEU 1010N -3.86 2.35 -0.06 1.64 4.77 -1.17 -1.88 117.00 118.80 1x86 n LEU 1010Ca 0.34 0.27 -0.11 0.00 -0.03 0.00 0.00 56.01 56.48 1x86 n LEU 1010Cb 1.65 -1.04 -0.05 0.00 -2.33 0.00 0.00 43.42 41.65 1x86 n LEU 1010CO 0.39 0.64 0.81 0.03 -1.33 0.00 0.00 177.39 177.93 1x86 h ARG 1011N -0.36 0.30 0.00 3.23 3.08 -1.15 -3.11 114.38 116.36 1x86 h ARG 1011Ca -0.42 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 59.56 1x86 h ARG 1011Cb 1.75 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.76 1x86 h ARG 1011CO -0.05 0.43 0.00 0.09 -1.07 0.00 0.00 179.97 179.37 1x86 n ASN 1012N -4.79 0.00 -4.56 7.04 4.13 -0.19 -4.90 115.26 111.99 1x86 n ASN 1012Ca -0.04 -0.52 -0.50 0.00 1.68 0.00 0.00 54.58 55.19 1x86 n ASN 1012Cb 0.16 -0.13 -0.05 0.00 -1.54 0.00 0.00 39.78 38.23 1x86 n ASN 1012CO 0.00 0.00 0.00 -0.11 0.28 0.00 0.00 177.26 177.43 1x86 n LEU 1013N -1.13 1.15 -3.62 3.41 7.94 -0.79 -4.94 117.00 119.02 1x86 n LEU 1013Ca 0.17 1.14 -0.29 0.00 -1.11 0.00 0.00 56.01 55.92 1x86 n LEU 1013Cb 0.15 -1.16 -0.15 0.00 0.53 0.00 0.00 43.42 42.79 1x86 n LEU 1013CO 0.18 -1.48 -0.33 -0.62 -1.11 0.00 0.00 177.39 174.03 1x86 s ASP 1014N -0.04 3.73 0.39 1.96 3.68 -1.26 -4.96 116.67 120.17 1x86 s ASP 1014Ca 0.75 -1.50 0.14 0.00 2.13 0.00 0.00 52.55 54.08 1x86 s ASP 1014Cb -0.91 -0.59 0.98 0.00 -1.45 0.00 0.00 42.92 40.95 1x86 s ASP 1014CO 0.53 -0.42 1.84 -0.07 0.13 0.00 0.00 175.17 177.18 1x86 h LEU 1015N 8.19 0.52 0.00 -1.34 3.38 -1.92 -2.83 115.31 121.31 1x86 h LEU 1015Ca -0.16 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1x86 h LEU 1015Cb 1.01 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.71 1x86 h LEU 1015CO 0.45 0.21 0.00 0.41 0.09 0.00 0.00 178.44 179.60 1x86 n THR 1016N -4.56 0.46 1.01 0.22 -1.04 -1.26 -1.81 114.28 107.29 1x86 n THR 1016Ca 0.20 0.12 0.12 0.00 -2.04 0.00 0.00 64.05 62.44 1x86 n THR 1016Cb 0.64 -0.94 0.09 0.00 -1.82 0.00 0.00 70.33 68.30 1x86 n THR 1016CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1x86 n LYS 1017N -1.18 2.15 -4.28 -2.82 4.76 -1.07 -4.96 118.16 110.77 1x86 n LYS 1017Ca 0.06 -1.78 -0.23 0.00 -2.87 0.00 0.00 58.31 53.50 1x86 n LYS 1017Cb 0.07 -1.46 -0.07 0.00 -1.84 0.00 0.00 35.03 31.72 1x86 n LYS 1017CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 1x86 s ARG 1018N -2.07 2.33 -0.07 1.97 0.52 -0.75 -5.11 118.95 115.76 1x86 s ARG 1018Ca 0.27 -1.39 -0.18 0.00 -0.52 0.00 0.00 55.73 53.91 1x86 s ARG 1018Cb 0.20 -2.19 -0.05 0.00 0.52 0.00 0.00 34.95 33.43 1x86 s ARG 1018CO 0.34 0.37 0.49 0.15 0.02 0.00 0.00 175.30 176.67 1x86 s LYS 1019N -3.65 4.27 -0.34 3.54 1.02 -1.26 -4.95 119.74 118.37 1x86 s LYS 1019Ca 0.31 0.50 -0.17 0.00 0.02 0.00 0.00 55.97 56.64 1x86 s LYS 1019Cb -0.07 -3.38 -0.01 0.00 -0.52 0.00 0.00 37.83 33.85 1x86 s LYS 1019CO 0.20 0.29 0.46 1.41 -0.92 0.00 0.00 175.35 176.79 1x86 s MET 1020N 0.16 3.65 0.04 1.68 -2.45 -1.26 0.41 119.30 121.54 1x86 s MET 1020Ca 0.27 -0.20 -0.09 0.00 -1.25 0.00 0.00 55.69 54.41 1x86 s MET 1020Cb -0.16 -3.79 -0.31 0.00 1.25 0.00 0.00 34.83 31.82 1x86 s MET 1020CO 0.12 -0.56 1.01 0.82 1.05 0.00 0.00 175.02 177.46 1x86 h ILE 1021N 5.56 1.33 -1.79 10.11 1.08 -1.58 -3.48 117.51 128.74 1x86 h ILE 1021Ca -0.29 -2.85 0.12 0.00 -0.39 0.00 0.00 64.86 61.45 1x86 h ILE 1021Cb 1.13 2.95 -0.20 0.00 -3.07 0.00 0.00 36.82 37.64 1x86 h ILE 1021CO 0.74 0.85 0.57 -2.28 -0.69 0.00 0.00 178.15 177.33 1x86 s HIS 1022N -2.62 -0.32 0.28 1.37 5.04 -0.93 -5.05 115.29 113.06 1x86 s HIS 1022Ca -0.07 0.40 -0.05 0.00 -1.54 0.00 0.00 55.06 53.80 1x86 s HIS 1022Cb 0.06 0.49 0.02 0.00 0.04 0.00 0.00 32.58 33.19 1x86 s HIS 1022CO 0.90 -0.39 0.46 -0.85 -2.34 0.00 0.00 174.74 172.52 1x86 n GLU 1023N 0.28 0.66 0.00 2.88 0.28 -1.26 -0.61 120.64 122.87 1x86 n GLU 1023Ca -0.08 -2.02 0.00 0.00 -0.16 0.00 0.00 57.16 54.90 1x86 n GLU 1023Cb 0.59 2.11 0.00 0.00 1.43 0.00 0.00 31.44 35.57 1x86 n GLU 1023CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1x86 n GLY 1024N -0.44 0.97 3.74 -1.84 0.00 -0.53 -4.98 105.19 102.12 1x86 n GLY 1024Ca -0.02 -2.07 -0.39 0.00 0.00 0.00 0.00 46.02 43.54 1x86 n GLY 1024CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x86 s PRO 1025N -1.02 4.37 0.22 1.61 0.05 -1.26 -0.10 135.00 138.86 1x86 s PRO 1025Ca 0.00 0.73 0.06 0.00 0.05 0.00 0.00 61.00 61.84 1x86 s PRO 1025Cb 0.00 -3.40 -0.05 0.00 0.05 0.00 0.00 34.50 31.10 1x86 s PRO 1025CO 0.00 0.22 -0.09 -0.51 0.05 0.00 0.00 177.00 176.66 1x86 s LEU 1026N 0.33 2.48 -0.26 -3.56 1.43 -1.15 -4.74 118.68 113.21 1x86 s LEU 1026Ca 0.32 -1.10 -0.01 0.00 -1.03 0.00 0.00 54.13 52.32 1x86 s LEU 1026Cb -0.17 -0.55 0.03 0.00 0.03 0.00 0.00 46.19 45.53 1x86 s LEU 1026CO 0.16 -0.29 -0.06 -0.69 0.23 0.00 0.00 176.35 175.70 1x86 s VAL 1027N -3.11 2.81 -0.57 -1.59 1.01 -0.53 -0.60 120.40 117.83 1x86 s VAL 1027Ca 0.24 -1.15 -0.25 0.00 0.00 0.00 0.00 61.98 60.82 1x86 s VAL 1027Cb 0.02 -2.48 0.04 0.00 0.00 0.00 0.00 36.38 33.96 1x86 s VAL 1027CO 0.07 0.12 1.00 0.86 0.00 0.00 0.00 175.10 177.16 1x86 s TRP 1028N 1.29 2.74 -0.67 5.22 -0.11 0.24 -0.77 118.94 126.88 1x86 s TRP 1028Ca -0.02 0.04 -0.24 0.00 1.22 0.00 0.00 56.10 57.10 1x86 s TRP 1028Cb -0.17 -4.18 0.05 0.00 -1.50 0.00 0.00 33.47 27.67 1x86 s TRP 1028CO -0.04 -1.43 1.08 0.15 -4.62 0.00 0.00 176.95 172.09 1x86 s LYS 1029N 4.18 3.18 0.00 5.86 1.02 -0.98 0.11 119.74 133.11 1x86 s LYS 1029Ca 0.32 -0.53 0.18 0.00 0.02 0.00 0.00 55.97 55.97 1x86 s LYS 1029Cb -0.12 -4.18 0.02 0.00 -0.52 0.00 0.00 37.83 33.03 1x86 s LYS 1029CO 0.20 -1.88 0.95 1.55 -0.92 0.00 0.00 175.35 175.25 1x86 n VAL 1030N 6.14 0.00 -3.53 3.17 3.14 -1.23 -4.00 118.33 122.01 1x86 n VAL 1030Ca -0.00 -0.34 -0.09 0.00 -2.96 0.00 0.00 64.34 60.95 1x86 n VAL 1030Cb 0.47 1.24 -0.03 0.00 -1.06 0.00 0.00 33.84 34.46 1x86 n VAL 1030CO 0.00 0.00 0.00 0.21 -6.46 0.00 0.00 176.83 170.58 1x86 s ASN 1031N -2.01 -0.36 0.17 6.55 2.47 -1.10 -4.96 114.94 115.70 1x86 s ASN 1031Ca 0.16 0.15 0.26 0.00 0.42 0.00 0.00 52.86 53.86 1x86 s ASN 1031Cb 0.15 0.35 0.89 0.00 -1.45 0.00 0.00 41.25 41.18 1x86 s ASN 1031CO 0.43 -0.50 1.80 -1.14 -3.72 0.00 0.00 177.10 173.96 1x86 n ARG 1032N 0.12 0.21 -0.13 0.43 0.63 -1.26 -3.13 116.66 113.54 1x86 n ARG 1032Ca -0.09 0.19 0.07 0.00 -0.92 0.00 0.00 57.85 57.10 1x86 n ARG 1032Cb 0.60 -1.75 0.13 0.00 0.45 0.00 0.00 32.46 31.88 1x86 n ARG 1032CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1x86 n ASP 1033N -2.13 2.58 -3.08 6.15 9.92 -1.26 -4.92 116.55 123.81 1x86 n ASP 1033Ca 0.06 -2.71 -0.05 0.00 -0.53 0.00 0.00 54.79 51.56 1x86 n ASP 1033Cb 0.41 -0.33 -0.02 0.00 -0.64 0.00 0.00 41.12 40.54 1x86 n ASP 1033CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 1x86 s LYS 1034N -2.24 0.89 -0.13 -1.24 1.02 -1.18 -5.15 119.74 111.70 1x86 s LYS 1034Ca 0.25 -0.74 0.00 0.00 0.02 0.00 0.00 55.97 55.50 1x86 s LYS 1034Cb 0.21 -0.15 0.02 0.00 -0.52 0.00 0.00 37.83 37.39 1x86 s LYS 1034CO 0.04 -1.25 -0.12 0.95 -0.92 0.00 0.00 175.35 174.05 1x86 s THR 1035N 1.34 1.37 0.31 2.17 -4.23 -1.26 -2.71 115.64 112.63 1x86 s THR 1035Ca 0.22 -0.51 0.03 0.00 -1.18 0.00 0.00 61.69 60.26 1x86 s THR 1035Cb -0.04 -1.31 -0.02 0.00 1.34 0.00 0.00 72.50 72.46 1x86 s THR 1035CO -0.06 0.43 0.47 -0.63 -0.54 0.00 0.00 174.62 174.28 1x86 s ILE 1036N 1.55 4.89 -0.28 2.99 1.09 0.31 -4.89 121.20 126.87 1x86 s ILE 1036Ca 0.05 -0.77 0.03 0.00 -1.10 0.00 0.00 60.65 58.86 1x86 s ILE 1036Cb -0.13 -3.75 0.07 0.00 -1.06 0.00 0.00 42.46 37.59 1x86 s ILE 1036CO -0.10 -0.38 -0.08 1.51 -0.10 0.00 0.00 174.94 175.80 1x86 s ASP 1037N -4.05 4.52 0.79 3.58 -4.77 -1.26 0.81 116.67 116.29 1x86 s ASP 1037Ca 0.39 -1.54 -0.08 0.00 -3.30 0.00 0.00 52.55 48.03 1x86 s ASP 1037Cb -0.09 -1.57 0.13 0.00 -1.09 0.00 0.00 42.92 40.30 1x86 s ASP 1037CO 0.33 -0.23 1.11 -0.76 0.70 0.00 0.00 175.17 176.31 1x86 s LEU 1038N 1.07 2.84 -0.14 2.11 1.43 0.23 -4.57 118.68 121.66 1x86 s LEU 1038Ca -0.05 0.10 0.02 0.00 -1.03 0.00 0.00 54.13 53.17 1x86 s LEU 1038Cb -0.20 -2.45 0.01 0.00 0.03 0.00 0.00 46.19 43.58 1x86 s LEU 1038CO -0.05 -2.06 -0.20 -0.47 0.23 0.00 0.00 176.35 173.80 1x86 s TYR 1039N -3.42 2.50 -0.14 0.29 6.14 -0.87 -2.93 117.35 118.92 1x86 s TYR 1039Ca 0.67 -1.28 -0.00 0.00 0.64 0.00 0.00 57.07 57.10 1x86 s TYR 1039Cb -0.07 -1.73 -0.01 0.00 0.42 0.00 0.00 41.96 40.57 1x86 s TYR 1039CO 0.47 -0.61 -0.13 0.99 0.64 0.00 0.00 175.55 176.92 1x86 s THR 1040N 0.93 3.04 -0.26 4.34 2.01 0.86 -1.69 115.64 124.88 1x86 s THR 1040Ca -0.05 -0.66 -0.07 0.00 0.31 0.00 0.00 61.69 61.22 1x86 s THR 1040Cb -0.15 -2.29 -0.02 0.00 0.01 0.00 0.00 72.50 70.06 1x86 s THR 1040CO -0.03 0.52 0.07 -0.76 -0.69 0.00 0.00 174.62 173.72 1x86 s LEU 1041N 0.45 3.49 -0.54 4.42 1.43 -0.28 -1.45 118.68 126.20 1x86 s LEU 1041Ca -0.09 -0.32 -0.21 0.00 -1.03 0.00 0.00 54.13 52.47 1x86 s LEU 1041Cb -0.16 -1.90 0.06 0.00 0.03 0.00 0.00 46.19 44.22 1x86 s LEU 1041CO 0.05 -0.07 0.76 -0.22 0.23 0.00 0.00 176.35 177.10 1x86 s LEU 1042N 1.58 4.71 0.00 1.79 2.96 0.22 0.87 118.68 130.81 1x86 s LEU 1042Ca 0.06 -0.83 -0.04 0.00 -0.22 0.00 0.00 54.13 53.10 1x86 s LEU 1042Cb -0.15 -2.53 0.09 0.00 0.50 0.00 0.00 46.19 44.10 1x86 s LEU 1042CO 0.03 -1.07 0.58 0.18 -1.32 0.00 0.00 176.35 174.75 1x86 n LEU 1043N 6.71 0.00 -0.29 -0.68 4.77 -0.91 -1.73 117.00 124.88 1x86 n LEU 1043Ca -0.04 -0.92 0.02 0.00 -0.03 0.00 0.00 56.01 55.04 1x86 n LEU 1043Cb 0.46 -0.41 0.15 0.00 -2.33 0.00 0.00 43.42 41.28 1x86 n LEU 1043CO 0.58 -0.86 1.15 -0.33 -1.33 0.00 0.00 177.39 176.61 1x86 h GLU 1044N 0.00 0.81 0.00 3.23 5.08 -0.41 -3.38 114.58 119.90 1x86 h GLU 1044Ca -0.19 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.12 1x86 h GLU 1044Cb 0.61 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.68 1x86 h GLU 1044CO 0.17 0.53 -0.34 -0.40 -1.00 0.00 0.00 179.01 177.97 1x86 n ASP 1045N -4.71 1.71 -4.55 1.42 3.85 -1.26 -4.94 116.55 108.07 1x86 n ASP 1045Ca 0.12 -0.04 -0.26 0.00 -0.71 0.00 0.00 54.79 53.91 1x86 n ASP 1045Cb 0.23 0.41 -0.11 0.00 -1.35 0.00 0.00 41.12 40.31 1x86 n ASP 1045CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.20 176.46 1x86 s ILE 1046N -0.76 1.62 -0.04 2.12 -4.36 -1.26 -1.38 121.20 117.15 1x86 s ILE 1046Ca 0.00 -2.00 0.05 0.00 -0.26 0.00 0.00 60.65 58.44 1x86 s ILE 1046Cb 0.00 -2.87 -0.02 0.00 1.25 0.00 0.00 42.46 40.81 1x86 s ILE 1046CO 0.00 0.00 -0.18 -0.22 0.24 0.00 0.00 174.94 174.78 1x86 s LEU 1047N -3.63 2.50 0.01 0.37 0.20 -0.30 -2.13 118.68 115.70 1x86 s LEU 1047Ca 0.34 -0.29 0.08 0.00 0.69 0.00 0.00 54.13 54.95 1x86 s LEU 1047Cb 0.09 -1.48 -0.02 0.00 -0.43 0.00 0.00 46.19 44.35 1x86 s LEU 1047CO 0.16 0.34 -0.24 -0.69 -0.29 0.00 0.00 176.35 175.63 1x86 s VAL 1048N -0.68 1.88 -0.54 1.68 1.01 0.25 -1.91 120.40 122.09 1x86 s VAL 1048Ca 0.11 -1.12 0.04 0.00 0.00 0.00 0.00 61.98 61.01 1x86 s VAL 1048Cb -0.10 -1.58 0.14 0.00 0.00 0.00 0.00 36.38 34.83 1x86 s VAL 1048CO 0.00 0.44 0.31 -0.76 0.00 0.00 0.00 175.10 175.08 1x86 s LEU 1049N -0.81 4.06 0.74 3.92 1.43 -0.17 -1.12 118.68 126.72 1x86 s LEU 1049Ca 0.09 -3.13 -0.07 0.00 -1.03 0.00 0.00 54.13 49.99 1x86 s LEU 1049Cb -0.09 -1.50 0.09 0.00 0.03 0.00 0.00 46.19 44.71 1x86 s LEU 1049CO 0.00 -0.20 1.05 -0.76 0.23 0.00 0.00 176.35 176.67 1x86 s LEU 1050N -0.42 2.82 -0.18 1.79 1.43 -0.68 -4.73 118.68 118.71 1x86 s LEU 1050Ca 0.19 0.34 0.01 0.00 -1.03 0.00 0.00 54.13 53.64 1x86 s LEU 1050Cb -0.20 -2.88 0.04 0.00 0.03 0.00 0.00 46.19 43.17 1x86 s LEU 1050CO -0.04 -1.76 -0.11 -1.10 0.23 0.00 0.00 176.35 173.56 1x86 s GLN 1051N -5.31 2.11 0.47 1.70 -0.21 -0.87 -2.06 119.66 115.48 1x86 s GLN 1051Ca 0.62 -0.77 -0.25 0.00 0.02 0.00 0.00 55.36 54.99 1x86 s GLN 1051Cb -0.09 -2.33 -0.08 0.00 1.00 0.00 0.00 33.01 31.51 1x86 s GLN 1051CO 0.46 -0.37 1.41 1.17 -2.12 0.00 0.00 175.29 175.83 1x86 n LYS 1052N 4.71 2.15 -3.05 2.91 4.81 -1.26 -0.74 118.16 127.68 1x86 n LYS 1052Ca -0.15 0.77 0.03 0.00 -0.87 0.00 0.00 58.31 58.08 1x86 n LYS 1052Cb 0.47 -2.61 -0.00 0.00 0.02 0.00 0.00 35.03 32.91 1x86 n LYS 1052CO 0.00 0.00 0.00 -1.14 1.17 0.00 0.00 177.40 177.43 1x86 s GLN 1053N -2.50 0.45 7.60 1.64 0.74 -0.85 -4.85 119.66 121.87 1x86 s GLN 1053Ca 0.63 0.02 0.00 0.00 0.05 0.00 0.00 55.36 56.06 1x86 s GLN 1053Cb -0.45 0.10 0.00 0.00 1.10 0.00 0.00 33.01 33.76 1x86 s GLN 1053CO 0.56 -0.70 0.00 -3.47 -0.55 0.00 0.00 175.29 171.13 1x86 n ASP 1054N 4.51 0.00 -0.06 6.67 2.03 -1.26 -3.31 116.55 125.13 1x86 n ASP 1054Ca 0.08 0.00 -0.21 0.00 0.52 0.00 0.00 54.79 55.18 1x86 n ASP 1054Cb 0.59 0.00 -0.13 0.00 -0.72 0.00 0.00 41.12 40.86 1x86 n ASP 1054CO 0.00 0.00 0.00 0.44 -1.92 0.00 0.00 177.20 175.72 1x86 h ASP 1055N 0.00 0.14 -2.02 1.67 5.19 -1.97 -3.47 116.42 115.96 1x86 h ASP 1055Ca 0.00 -0.71 -0.63 0.00 -0.62 0.00 0.00 57.03 55.08 1x86 h ASP 1055Cb 0.00 -0.05 0.05 0.00 0.18 0.00 0.00 39.33 39.51 1x86 h ASP 1055CO 0.00 1.50 0.78 0.54 -3.12 0.00 0.00 179.24 178.95 1x86 n ARG 1056N -4.22 1.83 -3.16 3.56 1.74 -1.21 -4.94 116.66 110.26 1x86 n ARG 1056Ca -0.28 0.66 -0.39 0.00 -0.77 0.00 0.00 57.85 57.08 1x86 n ARG 1056Cb 0.75 -2.41 -0.06 0.00 -1.02 0.00 0.00 32.46 29.73 1x86 n ARG 1056CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1x86 s LEU 1057N 1.65 4.23 -0.20 0.55 1.43 -0.32 -2.01 118.68 124.01 1x86 s LEU 1057Ca 0.85 0.93 -0.07 0.00 -1.03 0.00 0.00 54.13 54.80 1x86 s LEU 1057Cb -0.78 -2.88 -0.04 0.00 0.03 0.00 0.00 46.19 42.52 1x86 s LEU 1057CO 0.45 -0.14 0.06 -0.69 0.23 0.00 0.00 176.35 176.26 1x86 s VAL 1058N 1.20 4.62 -0.40 -1.59 1.01 0.08 -1.45 120.40 123.88 1x86 s VAL 1058Ca 0.30 -0.09 -0.17 0.00 0.00 0.00 0.00 61.98 62.02 1x86 s VAL 1058Cb -0.16 -3.10 0.01 0.00 0.00 0.00 0.00 36.38 33.13 1x86 s VAL 1058CO 0.13 0.43 0.46 -0.22 0.00 0.00 0.00 175.10 175.90 1x86 s LEU 1059N 0.67 4.64 0.28 3.92 2.96 0.46 -2.06 118.68 129.56 1x86 s LEU 1059Ca 0.03 -0.43 -0.09 0.00 -0.22 0.00 0.00 54.13 53.42 1x86 s LEU 1059Cb -0.13 -2.46 0.00 0.00 0.50 0.00 0.00 46.19 44.10 1x86 s LEU 1059CO 0.02 -0.54 0.48 -0.60 -1.32 0.00 0.00 176.35 174.38 1x86 s ARG 1060N 2.25 1.69 -0.40 1.98 3.52 -1.26 -4.54 118.95 122.20 1x86 s ARG 1060Ca 0.15 -1.44 0.06 0.00 -0.13 0.00 0.00 55.73 54.37 1x86 s ARG 1060Cb -0.16 0.46 0.17 0.00 -1.56 0.00 0.00 34.95 33.86 1x86 s ARG 1060CO 0.14 -0.71 0.55 0.00 -0.81 0.00 0.00 175.30 174.48 1x86 s HIS 1062N 1.75 3.39 -0.01 0.00 2.46 -1.26 -4.56 115.29 117.06 1x86 s HIS 1062Ca 0.16 0.31 -0.30 0.00 0.47 0.00 0.00 55.06 55.70 1x86 s HIS 1062Cb -0.08 -2.07 -0.04 0.00 -0.13 0.00 0.00 32.58 30.26 1x86 s HIS 1062CO -0.06 -0.07 1.26 0.45 -2.47 0.00 0.00 174.74 173.84 1x86 s SER 1063N -4.11 7.00 -0.04 9.88 0.15 -1.26 -3.87 113.70 121.44 1x86 s SER 1063Ca 0.43 1.95 -0.04 0.00 0.70 0.00 0.00 55.95 58.99 1x86 s SER 1063Cb -0.10 -2.56 -0.04 0.00 -1.71 0.00 0.00 66.02 61.61 1x86 s SER 1063CO 0.37 -0.60 0.17 0.42 1.20 0.00 0.00 173.24 174.81 1x86 s THR 1075N 2.00 5.45 -0.15 6.45 -4.23 -1.26 -5.11 115.64 118.79 1x86 s THR 1075Ca 0.59 -0.02 0.02 0.00 -1.18 0.00 0.00 61.69 61.10 1x86 s THR 1075Cb -0.28 -3.50 0.02 0.00 1.34 0.00 0.00 72.50 70.08 1x86 s THR 1075CO 0.25 0.42 -0.20 -0.36 -0.54 0.00 0.00 174.62 174.19 1x86 s PHE 1076N -1.23 2.63 0.60 3.99 0.40 -1.25 -5.14 117.98 117.99 1x86 s PHE 1076Ca 0.23 -1.43 -0.12 0.00 -0.60 0.00 0.00 56.93 55.02 1x86 s PHE 1076Cb -0.12 -1.82 -0.04 0.00 0.51 0.00 0.00 43.02 41.54 1x86 s PHE 1076CO 0.14 -0.69 1.02 -1.54 0.70 0.00 0.00 175.22 174.85 1x86 s SER 1077N 1.06 6.28 0.00 1.36 1.04 -1.26 -4.24 113.70 117.94 1x86 s SER 1077Ca -0.01 1.43 0.10 0.00 0.48 0.00 0.00 55.95 57.94 1x86 s SER 1077Cb -0.14 -2.47 0.28 0.00 0.10 0.00 0.00 66.02 63.79 1x86 s SER 1077CO -0.07 -0.83 1.23 -0.81 0.98 0.00 0.00 173.24 173.74 1x86 n PRO 1078N -2.59 1.69 -4.59 4.02 -0.04 -1.25 -4.79 135.00 127.45 1x86 n PRO 1078Ca 0.06 -1.08 -0.22 0.00 -0.04 0.00 0.00 63.50 62.22 1x86 n PRO 1078Cb 0.54 -1.24 -0.15 0.00 -0.04 0.00 0.00 33.50 32.62 1x86 n PRO 1078CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1x86 s VAL 1079N -1.60 1.20 -0.12 0.52 1.01 -1.26 -1.00 120.40 119.14 1x86 s VAL 1079Ca 0.20 -0.79 -0.03 0.00 0.00 0.00 0.00 61.98 61.37 1x86 s VAL 1079Cb 0.11 -1.03 0.04 0.00 0.00 0.00 0.00 36.38 35.50 1x86 s VAL 1079CO 0.14 0.23 0.05 -0.63 0.00 0.00 0.00 175.10 174.88 1x86 s ILE 1080N -0.53 0.18 0.01 2.22 1.01 -0.80 -4.93 121.20 118.34 1x86 s ILE 1080Ca 0.05 -0.04 -0.30 0.00 0.00 0.00 0.00 60.65 60.35 1x86 s ILE 1080Cb -0.07 -0.57 -0.06 0.00 0.01 0.00 0.00 42.46 41.77 1x86 s ILE 1080CO 0.00 -0.01 1.58 -0.54 0.00 0.00 0.00 174.94 175.97 1x86 s LYS 1081N 2.03 4.21 0.01 2.79 -0.14 -1.26 -1.15 119.74 126.24 1x86 s LYS 1081Ca 0.03 2.18 0.14 0.00 -1.36 0.00 0.00 55.97 56.95 1x86 s LYS 1081Cb -0.14 -3.73 0.58 0.00 -1.68 0.00 0.00 37.83 32.86 1x86 s LYS 1081CO -0.06 -0.73 1.43 1.28 -0.76 0.00 0.00 175.35 176.51 1x86 n LEU 1082N 6.09 0.02 0.25 3.17 4.77 -0.48 -1.68 117.00 129.14 1x86 n LEU 1082Ca 0.16 0.51 0.14 0.00 -0.03 0.00 0.00 56.01 56.78 1x86 n LEU 1082Cb 0.42 -0.50 0.56 0.00 -2.33 0.00 0.00 43.42 41.57 1x86 n LEU 1082CO 0.61 -0.28 0.90 0.77 -1.33 0.00 0.00 177.39 178.06 1x86 h SER 1083N 0.00 0.00 -0.01 -1.43 4.64 -1.86 -3.21 113.55 111.67 1x86 h SER 1083Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1x86 h SER 1083Cb 0.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 1x86 h SER 1083CO 0.00 0.10 -0.55 0.35 -0.87 0.00 0.00 176.83 175.86 1x86 n THR 1084N -3.24 0.00 -2.67 2.95 -2.24 -0.67 -4.88 114.28 103.53 1x86 n THR 1084Ca 0.01 -0.22 -0.40 0.00 -2.27 0.00 0.00 64.05 61.16 1x86 n THR 1084Cb 0.37 1.21 -0.05 0.00 -2.10 0.00 0.00 70.33 69.76 1x86 n THR 1084CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1x86 s VAL 1085N -2.51 3.90 -0.02 2.28 1.01 -1.21 -0.72 120.40 123.14 1x86 s VAL 1085Ca 0.16 1.87 0.02 0.00 0.00 0.00 0.00 61.98 64.03 1x86 s VAL 1085Cb 0.17 -4.17 0.01 0.00 0.00 0.00 0.00 36.38 32.39 1x86 s VAL 1085CO 0.61 0.41 -0.05 -0.76 0.00 0.00 0.00 175.10 175.30 1x86 s LEU 1086N -1.39 1.73 0.05 3.92 1.43 -1.16 -4.93 118.68 118.33 1x86 s LEU 1086Ca 0.43 -0.12 0.00 0.00 -1.03 0.00 0.00 54.13 53.42 1x86 s LEU 1086Cb -0.27 -0.37 -0.04 0.00 0.03 0.00 0.00 46.19 45.55 1x86 s LEU 1086CO 0.34 0.02 0.17 -0.69 0.23 0.00 0.00 176.35 176.42 1x86 s VAL 1087N 0.28 5.19 0.03 -1.59 1.01 -1.26 -0.56 120.40 123.51 1x86 s VAL 1087Ca -0.03 -0.42 -0.05 0.00 0.00 0.00 0.00 61.98 61.48 1x86 s VAL 1087Cb -0.07 -3.50 -0.01 0.00 0.00 0.00 0.00 36.38 32.79 1x86 s VAL 1087CO -0.00 0.18 0.07 -0.13 0.00 0.00 0.00 175.10 175.22 1x86 s ARG 1088N -2.34 0.51 0.16 2.72 1.81 0.76 -4.95 118.95 117.62 1x86 s ARG 1088Ca 0.32 -0.68 -0.26 0.00 -1.72 0.00 0.00 55.73 53.39 1x86 s ARG 1088Cb -0.13 0.20 -0.08 0.00 -0.45 0.00 0.00 34.95 34.49 1x86 s ARG 1088CO 0.24 -0.12 0.80 -0.65 -0.68 0.00 0.00 175.30 174.90 1x86 s GLN 1089N -2.19 4.60 -0.49 3.54 -0.21 -1.26 0.18 119.66 123.82 1x86 s GLN 1089Ca -0.09 1.20 -0.21 0.00 0.02 0.00 0.00 55.36 56.28 1x86 s GLN 1089Cb -0.04 -3.28 0.04 0.00 1.00 0.00 0.00 33.01 30.73 1x86 s GLN 1089CO -0.03 0.52 0.73 0.08 -2.12 0.00 0.00 175.29 174.47 1x86 s VAL 1090N -1.00 4.71 -1.71 1.09 1.01 -1.13 -4.81 120.40 118.57 1x86 s VAL 1090Ca 0.37 -0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.31 1x86 s VAL 1090Cb -0.23 -4.34 0.00 0.00 0.00 0.00 0.00 36.38 31.81 1x86 s VAL 1090CO 0.27 -0.82 0.72 0.00 0.00 0.00 0.00 175.10 175.27 1x86 n ALA 1091N 6.58 2.32 -0.00 5.51 0.00 -1.26 -3.67 120.51 129.99 1x86 n ALA 1091Ca -0.02 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.41 1x86 n ALA 1091Cb 0.47 -1.00 -0.00 0.00 0.00 0.00 0.00 19.45 18.92 1x86 n ALA 1091CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1x86 n THR 1092N -0.33 0.35 -2.27 0.00 -2.24 -1.26 -4.99 114.28 103.54 1x86 n THR 1092Ca 0.00 0.23 -0.42 0.00 -2.27 0.00 0.00 64.05 61.59 1x86 n THR 1092Cb 0.06 -1.39 -0.03 0.00 -2.10 0.00 0.00 70.33 66.88 1x86 n THR 1092CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1x86 s ASP 1093N -4.95 6.89 0.00 3.42 -1.08 -1.24 -4.91 116.67 114.80 1x86 s ASP 1093Ca -0.03 2.03 0.29 0.00 -0.52 0.00 0.00 52.55 54.32 1x86 s ASP 1093Cb 0.00 -2.56 1.31 0.00 -1.46 0.00 0.00 42.92 40.22 1x86 s ASP 1093CO 0.05 -0.70 1.91 0.59 0.52 0.00 0.00 175.17 177.53 1x86 n ASN 1094N 5.48 0.49 -0.67 -0.34 3.02 -1.26 -3.50 115.26 118.48 1x86 n ASN 1094Ca 0.13 -0.70 0.08 0.00 -0.03 0.00 0.00 54.58 54.05 1x86 n ASN 1094Cb 0.44 -0.06 0.09 0.00 -0.61 0.00 0.00 39.78 39.64 1x86 n ASN 1094CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1x86 n LYS 1095N -0.86 1.49 -4.47 3.52 5.02 -1.26 -4.73 118.16 116.86 1x86 n LYS 1095Ca 0.16 -1.59 -0.34 0.00 -2.02 0.00 0.00 58.31 54.52 1x86 n LYS 1095Cb 0.26 -1.31 -0.10 0.00 -0.02 0.00 0.00 35.03 33.86 1x86 n LYS 1095CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1x86 s ALA 1096N -1.23 3.14 -0.20 7.82 0.00 -1.23 -1.13 121.76 128.93 1x86 s ALA 1096Ca 0.21 -0.88 0.00 0.00 0.00 0.00 0.00 51.96 51.30 1x86 s ALA 1096Cb 0.14 -1.33 0.05 0.00 0.00 0.00 0.00 23.12 21.97 1x86 s ALA 1096CO 0.20 0.59 -0.08 -0.51 0.00 0.00 0.00 175.76 175.96 1x86 s LEU 1097N -0.99 2.19 -0.90 0.00 1.43 0.50 -2.82 118.68 118.10 1x86 s LEU 1097Ca 0.14 -0.91 -0.24 0.00 -1.03 0.00 0.00 54.13 52.08 1x86 s LEU 1097Cb -0.11 -1.14 0.00 0.00 0.03 0.00 0.00 46.19 44.97 1x86 s LEU 1097CO 0.03 -0.18 1.67 -0.36 0.23 0.00 0.00 176.35 177.74 1x86 s PHE 1098N 1.45 2.13 -0.68 0.29 0.08 0.46 -2.53 117.98 119.19 1x86 s PHE 1098Ca -0.02 -0.00 -0.25 0.00 0.12 0.00 0.00 56.93 56.78 1x86 s PHE 1098Cb -0.17 -4.37 0.05 0.00 -0.57 0.00 0.00 43.02 37.96 1x86 s PHE 1098CO -0.08 -1.92 1.11 0.08 -0.10 0.00 0.00 175.22 174.31 1x86 s VAL 1099N 7.48 4.05 0.52 -0.44 1.01 -1.18 -0.17 120.40 131.68 1x86 s VAL 1099Ca 0.56 0.10 -0.18 0.00 0.00 0.00 0.00 61.98 62.47 1x86 s VAL 1099Cb -0.05 -4.78 -0.07 0.00 0.00 0.00 0.00 36.38 31.48 1x86 s VAL 1099CO -0.00 -1.59 1.02 -0.63 0.00 0.00 0.00 175.10 173.90 1x86 s ILE 1100N 4.83 4.04 -0.26 2.22 1.01 0.28 -0.06 121.20 133.26 1x86 s ILE 1100Ca 0.30 1.10 -0.01 0.00 0.00 0.00 0.00 60.65 62.03 1x86 s ILE 1100Cb -0.12 -3.51 0.08 0.00 0.01 0.00 0.00 42.46 38.92 1x86 s ILE 1100CO 0.14 -0.44 0.05 -0.55 0.00 0.00 0.00 174.94 174.13 1x86 s SER 1101N -2.53 3.70 -0.27 3.58 0.15 -0.59 -2.96 113.70 114.77 1x86 s SER 1101Ca 0.63 -1.33 -0.26 0.00 0.70 0.00 0.00 55.95 55.69 1x86 s SER 1101Cb -0.14 -0.87 0.00 0.00 -1.71 0.00 0.00 66.02 63.30 1x86 s SER 1101CO 0.27 -0.35 0.91 -0.04 1.20 0.00 0.00 173.24 175.24 1x86 s MET 1102N 1.62 4.13 0.43 5.44 -1.94 0.11 -1.52 119.30 127.57 1x86 s MET 1102Ca 0.04 0.98 0.03 0.00 -1.71 0.00 0.00 55.69 55.03 1x86 s MET 1102Cb -0.18 -3.68 -0.03 0.00 2.01 0.00 0.00 34.83 32.95 1x86 s MET 1102CO -0.16 -0.65 0.05 -1.12 -0.01 0.00 0.00 175.02 173.14 1x86 s SER 1103N 1.43 3.35 0.34 3.03 0.01 -1.08 -4.67 113.70 116.12 1x86 s SER 1103Ca 0.38 -1.57 0.24 0.00 1.31 0.00 0.00 55.95 56.31 1x86 s SER 1103Cb -0.14 0.28 0.55 0.00 0.21 0.00 0.00 66.02 66.92 1x86 s SER 1103CO 0.10 -0.78 1.68 -2.24 0.41 0.00 0.00 173.24 172.41 1x86 h ASP 1104N 1.68 0.00 0.02 2.44 2.03 -2.04 -3.37 116.42 117.18 1x86 h ASP 1104Ca -0.41 0.00 -0.00 0.00 -0.73 0.00 0.00 57.03 55.89 1x86 h ASP 1104Cb 1.28 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.78 1x86 h ASP 1104CO 0.69 0.00 -0.01 -1.13 -1.03 0.00 0.00 179.24 177.76 1x86 h ASN 1105N 0.00 -0.02 0.00 4.15 -0.73 -1.99 -3.50 115.58 113.49 1x86 h ASN 1105Ca 0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 1x86 h ASN 1105Cb 0.88 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.48 1x86 h ASN 1105CO 0.00 0.46 0.00 0.61 -0.37 0.00 0.00 177.43 178.13 1x86 n GLY 1106N 1.74 3.82 3.15 1.57 0.00 -1.26 -5.14 105.19 109.07 1x86 n GLY 1106Ca -0.00 -0.28 0.04 0.00 0.00 0.00 0.00 46.02 45.78 1x86 n GLY 1106CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x86 s ALA 1107N -1.48 -2.34 -0.25 4.61 0.00 -1.26 -2.63 121.76 118.41 1x86 s ALA 1107Ca 0.00 1.78 -0.09 0.00 0.00 0.00 0.00 51.96 53.65 1x86 s ALA 1107Cb 0.00 -2.21 -0.04 0.00 0.00 0.00 0.00 23.12 20.87 1x86 s ALA 1107CO 0.00 -1.37 0.13 -0.65 0.00 0.00 0.00 175.76 173.88 1x86 s GLN 1108N 2.86 3.91 -0.10 0.00 -0.21 -0.58 -4.80 119.66 120.75 1x86 s GLN 1108Ca 0.19 -0.35 -0.10 0.00 0.02 0.00 0.00 55.36 55.12 1x86 s GLN 1108Cb -0.14 -3.48 -0.05 0.00 1.00 0.00 0.00 33.01 30.34 1x86 s GLN 1108CO -0.21 -0.05 0.22 0.42 -2.12 0.00 0.00 175.29 173.55 1x86 s ILE 1109N 1.34 5.37 -0.66 1.08 1.01 -1.26 -1.55 121.20 126.52 1x86 s ILE 1109Ca 0.06 0.39 0.05 0.00 0.00 0.00 0.00 60.65 61.15 1x86 s ILE 1109Cb -0.15 -3.50 0.17 0.00 0.01 0.00 0.00 42.46 38.99 1x86 s ILE 1109CO 0.06 0.57 0.46 -0.31 0.00 0.00 0.00 174.94 175.72 1x86 s TYR 1110N -0.79 3.30 -0.16 3.97 1.51 0.91 -5.00 117.35 121.09 1x86 s TYR 1110Ca 0.17 -3.23 -0.29 0.00 -1.01 0.00 0.00 57.07 52.71 1x86 s TYR 1110Cb -0.13 -2.55 -0.03 0.00 -0.11 0.00 0.00 41.96 39.14 1x86 s TYR 1110CO 0.06 -0.59 1.58 -2.00 -1.11 0.00 0.00 175.55 173.49 1x86 s GLU 1111N -1.21 3.98 -0.10 -0.62 2.12 -1.26 -3.09 118.70 118.53 1x86 s GLU 1111Ca 0.25 1.83 0.01 0.00 0.36 0.00 0.00 54.97 57.41 1x86 s GLU 1111Cb -0.06 -3.98 0.02 0.00 0.26 0.00 0.00 34.13 30.37 1x86 s GLU 1111CO -0.15 -1.07 -0.12 -0.51 -0.54 0.00 0.00 175.26 172.87 1x86 s LEU 1112N 4.60 1.53 -0.08 2.70 1.43 -1.05 -2.32 118.68 125.49 1x86 s LEU 1112Ca 0.70 -0.36 -0.07 0.00 -1.03 0.00 0.00 54.13 53.37 1x86 s LEU 1112Cb -0.27 -0.95 -0.04 0.00 0.03 0.00 0.00 46.19 44.96 1x86 s LEU 1112CO 0.27 -0.03 0.18 -0.69 0.23 0.00 0.00 176.35 176.31 1x86 s VAL 1113N 1.18 5.44 0.45 -1.59 1.01 0.05 -0.37 120.40 126.58 1x86 s VAL 1113Ca -0.04 0.17 0.07 0.00 0.00 0.00 0.00 61.98 62.18 1x86 s VAL 1113Cb -0.14 -3.47 0.00 0.00 0.00 0.00 0.00 36.38 32.77 1x86 s VAL 1113CO -0.03 0.53 0.42 0.00 0.00 0.00 0.00 175.10 176.02 1x86 s ALA 1114N -1.12 4.20 0.13 5.51 0.00 -0.29 -1.46 121.76 128.74 1x86 s ALA 1114Ca 0.19 -1.79 -0.04 0.00 0.00 0.00 0.00 51.96 50.32 1x86 s ALA 1114Cb -0.13 -1.02 -0.09 0.00 0.00 0.00 0.00 23.12 21.89 1x86 s ALA 1114CO 0.09 -0.32 1.31 1.96 0.00 0.00 0.00 175.76 178.80 1x86 h GLN 1115N 0.89 0.42 -4.27 0.00 4.20 -1.90 -3.46 115.11 110.99 1x86 h GLN 1115Ca -0.39 -0.44 -0.30 0.00 0.06 0.00 0.00 58.65 57.58 1x86 h GLN 1115Cb 1.28 0.12 -0.27 0.00 0.30 0.00 0.00 27.48 28.91 1x86 h GLN 1115CO 0.55 1.10 -0.74 0.95 -0.67 0.00 0.00 178.83 180.02 1x86 s THR 1116N -3.29 0.37 0.21 -0.54 -4.23 -1.26 -5.05 115.64 101.85 1x86 s THR 1116Ca -0.06 -0.38 -0.20 0.00 -1.18 0.00 0.00 61.69 59.87 1x86 s THR 1116Cb 0.09 -0.35 0.16 0.00 1.34 0.00 0.00 72.50 73.74 1x86 s THR 1116CO 0.87 -0.01 1.56 0.58 -0.54 0.00 0.00 174.62 177.07 1x86 h VAL 1117N 4.93 0.05 -1.81 2.29 2.07 -1.88 0.32 116.25 122.21 1x86 h VAL 1117Ca -0.29 0.00 0.53 0.00 0.82 0.00 0.00 66.70 67.76 1x86 h VAL 1117Cb 1.20 0.05 -0.08 0.00 -1.52 0.00 0.00 31.29 30.94 1x86 h VAL 1117CO 0.48 0.00 1.30 -1.20 0.02 0.00 0.00 177.57 178.17 1x86 n SER 1118N -5.44 0.02 -0.02 0.57 7.64 -1.26 -0.76 113.62 114.37 1x86 n SER 1118Ca 0.07 0.96 -0.01 0.00 1.01 0.00 0.00 58.87 60.90 1x86 n SER 1118Cb 0.37 -0.48 -0.00 0.00 -1.01 0.00 0.00 64.21 63.09 1x86 n SER 1118CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1x86 h GLU 1119N 0.00 -0.05 -1.00 1.43 5.08 -0.77 -3.29 114.58 115.97 1x86 h GLU 1119Ca 0.88 0.00 0.40 0.00 -1.00 0.00 0.00 59.36 59.65 1x86 h GLU 1119Cb 3.48 0.01 -0.18 0.00 0.50 0.00 0.00 28.75 32.56 1x86 h GLU 1119CO -0.04 -0.04 0.53 1.57 -1.00 0.00 0.00 179.01 180.03 1x86 h LYS 1120N -0.88 0.04 -0.49 2.33 5.09 -0.87 0.48 116.57 122.26 1x86 h LYS 1120Ca -0.01 -0.00 -0.08 0.00 0.09 0.00 0.00 60.65 60.66 1x86 h LYS 1120Cb 0.04 -0.01 -0.02 0.00 0.10 0.00 0.00 32.23 32.34 1x86 h LYS 1120CO 0.01 0.02 -0.00 1.15 -2.09 0.00 0.00 179.45 178.54 1x86 h THR 1121N 0.04 1.25 0.02 0.07 2.02 -1.15 0.43 112.91 115.58 1x86 h THR 1121Ca 0.83 -1.02 -0.26 0.00 0.77 0.00 0.00 66.41 66.73 1x86 h THR 1121Cb 2.16 0.88 0.02 0.00 -1.74 0.00 0.00 68.15 69.47 1x86 h THR 1121CO -0.75 0.36 -1.02 0.58 0.37 0.00 0.00 175.52 175.05 1x86 h VAL 1122N 0.76 1.30 -0.13 3.16 2.07 -0.19 -2.18 116.25 121.03 1x86 h VAL 1122Ca 0.15 -2.26 0.04 0.00 0.82 0.00 0.00 66.70 65.45 1x86 h VAL 1122Cb 0.47 2.47 -0.07 0.00 -1.52 0.00 0.00 31.29 32.64 1x86 h VAL 1122CO 0.02 0.69 -0.38 -0.50 0.02 0.00 0.00 177.57 177.42 1x86 h TRP 1123N 0.31 -1.08 -0.77 1.57 4.06 -0.94 0.30 115.95 119.41 1x86 h TRP 1123Ca -0.13 0.04 0.14 0.00 2.06 0.00 0.00 58.89 61.00 1x86 h TRP 1123Cb 1.69 0.49 -0.14 0.00 -1.00 0.00 0.00 29.16 30.20 1x86 h TRP 1123CO 0.11 -0.45 -0.31 0.37 -3.56 0.00 0.00 178.44 174.60 1x86 h GLN 1124N -0.46 -0.07 0.17 0.49 4.15 -0.94 -1.61 115.11 116.84 1x86 h GLN 1124Ca 0.08 0.00 -0.30 0.00 0.77 0.00 0.00 58.65 59.21 1x86 h GLN 1124Cb 0.60 0.02 0.02 0.00 0.21 0.00 0.00 27.48 28.32 1x86 h GLN 1124CO -0.38 -0.05 -1.35 0.22 -1.93 0.00 0.00 178.83 175.34 1x86 h ASP 1125N -0.07 0.57 -0.27 -0.69 3.58 -0.35 -0.78 116.42 118.41 1x86 h ASP 1125Ca 0.31 -0.62 -0.09 0.00 0.42 0.00 0.00 57.03 57.05 1x86 h ASP 1125Cb 0.58 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 41.44 1x86 h ASP 1125CO -0.81 1.49 -0.17 -0.07 -2.88 0.00 0.00 179.24 176.79 1x86 h LEU 1126N 0.10 0.61 0.36 2.28 3.38 -0.31 -0.87 115.31 120.86 1x86 h LEU 1126Ca -0.19 -0.43 -0.00 0.00 0.09 0.00 0.00 57.88 57.35 1x86 h LEU 1126Cb 2.04 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 42.60 1x86 h LEU 1126CO 0.23 0.91 -0.34 0.40 0.09 0.00 0.00 178.44 179.73 1x86 h ILE 1127N 0.32 0.30 -0.98 1.22 2.04 -1.36 -0.61 117.51 118.44 1x86 h ILE 1127Ca 0.05 0.00 0.17 0.00 1.00 0.00 0.00 64.86 66.08 1x86 h ILE 1127Cb 0.70 0.30 -0.10 0.00 -0.74 0.00 0.00 36.82 36.98 1x86 h ILE 1127CO 0.05 0.00 0.59 0.00 0.00 0.00 0.00 178.15 178.79 1x86 h ARG 1129N 0.79 0.42 0.37 0.00 3.08 -0.90 -3.05 114.38 115.09 1x86 h ARG 1129Ca 0.55 -0.53 -0.02 0.00 0.07 0.00 0.00 59.98 60.04 1x86 h ARG 1129Cb 0.78 0.17 0.00 0.00 0.08 0.00 0.00 29.97 31.00 1x86 h ARG 1129CO -0.36 1.19 -0.18 0.52 -1.07 0.00 0.00 179.97 180.08 1x86 h MET 1130N 0.20 -0.47 -0.95 0.04 2.86 -0.71 -0.88 114.93 115.03 1x86 h MET 1130Ca -0.12 0.03 0.13 0.00 -2.06 0.00 0.00 59.70 57.69 1x86 h MET 1130Cb 1.75 0.11 -0.14 0.00 0.06 0.00 0.00 31.60 33.37 1x86 h MET 1130CO 0.19 -0.27 -0.41 0.00 1.06 0.00 0.00 176.91 177.47 1x86 n ALA 1131N -2.34 -0.23 0.12 6.32 0.00 -0.35 -0.14 120.51 123.89 1x86 n ALA 1131Ca -0.11 0.91 -0.01 0.00 0.00 0.00 0.00 53.44 54.24 1x86 n ALA 1131Cb 0.23 -0.35 0.05 0.00 0.00 0.00 0.00 19.45 19.38 1x86 n ALA 1131CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x86 h ALA 1132N 1.11 0.66 -0.26 0.00 0.00 -1.42 -1.36 119.26 118.00 1x86 h ALA 1132Ca 0.29 -0.62 -0.03 0.00 0.00 0.00 0.00 54.91 54.55 1x86 h ALA 1132Cb 0.53 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1x86 h ALA 1132CO -0.93 0.85 0.04 1.03 0.00 0.00 0.00 179.25 180.24 1x86 h SER 1133N 0.00 0.41 0.43 0.00 0.87 0.44 -1.79 113.55 113.91 1x86 h SER 1133Ca -0.01 -0.26 -0.02 0.00 -1.23 0.00 0.00 61.79 60.27 1x86 h SER 1133Cb 1.39 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 63.24 1x86 h SER 1133CO 0.09 0.57 -0.21 0.58 -0.53 0.00 0.00 176.83 177.33 1x86 h VAL 1134N 0.23 0.52 -0.21 2.23 2.07 -0.49 -3.00 116.25 117.60 1x86 h VAL 1134Ca 0.08 -0.40 0.06 0.00 0.82 0.00 0.00 66.70 67.26 1x86 h VAL 1134Cb 0.33 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 30.79 1x86 h VAL 1134CO 0.01 0.07 0.18 0.11 0.02 0.00 0.00 177.57 177.95 1x86 h LYS 1135N -0.83 0.00 -0.49 1.57 1.57 -1.30 0.14 116.57 117.22 1x86 h LYS 1135Ca -0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1x86 h LYS 1135Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.86 1x86 h LYS 1135CO 0.10 0.00 0.00 0.39 -0.57 0.00 0.00 179.45 179.37 1x86 n GLU 1136N -4.11 2.05 -3.44 3.15 1.02 -0.67 -4.07 120.64 114.57 1x86 n GLU 1136Ca 0.02 -1.20 -0.38 0.00 -0.02 0.00 0.00 57.16 55.58 1x86 n GLU 1136Cb 0.32 -1.45 -0.04 0.00 -0.02 0.00 0.00 31.44 30.25 1x86 n GLU 1136CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1x86 n GLN 1137N 0.36 3.15 0.00 3.49 6.02 0.48 -5.03 117.38 125.85 1x86 n GLN 1137Ca 0.11 -4.51 0.16 0.00 -0.01 0.00 0.00 57.00 52.75 1x86 n GLN 1137Cb 0.40 -2.44 0.93 0.00 1.02 0.00 0.00 30.24 30.14 1x86 n GLN 1137CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92