#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g49 s PHE 791 N 0.00 3.00 0.03 5.58 5.36 -1.26 -5.04 117.98 125.64 3g49 s PHE 791 Ca 0.00 0.85 0.06 0.00 -0.96 0.00 0.00 56.93 56.88 3g49 s PHE 791 Cb 0.00 -3.89 -0.03 0.00 -0.34 0.00 0.00 43.02 38.76 3g49 s PHE 791 CO 0.00 -3.06 -0.15 0.50 -1.46 0.00 0.00 175.22 171.05 3g49 s ARG 792 N 0.13 2.21 0.44 10.12 6.06 -1.26 -5.04 118.95 131.61 3g49 s ARG 792 Ca 0.64 -0.90 0.21 0.00 -2.50 0.00 0.00 55.73 53.17 3g49 s ARG 792 Cb -0.43 -2.27 1.18 0.00 0.06 0.00 0.00 34.95 33.48 3g49 s ARG 792 CO 0.40 0.56 1.84 -1.00 -2.50 0.00 0.00 175.30 174.59 3g49 h PRO 793 N 4.58 0.30 0.00 5.12 0.13 -1.98 -2.19 132.00 137.95 3g49 h PRO 793 Ca -0.48 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 3g49 h PRO 793 Cb 1.16 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.22 3g49 h PRO 793 CO 0.49 0.20 0.00 -0.85 -0.23 0.00 0.00 178.00 177.61 3g49 n GLU 794 N -4.48 0.61 0.28 0.86 -0.00 -1.26 -1.51 120.64 115.14 3g49 n GLU 794 Ca 0.21 0.00 0.16 0.00 -0.00 0.00 0.00 57.16 57.53 3g49 n GLU 794 Cb 0.82 -1.50 0.84 0.00 -0.00 0.00 0.00 31.44 31.60 3g49 n GLU 794 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.13 177.65 3g49 h MET 795 N 0.00 0.00 -0.00 3.44 2.86 -1.79 -3.17 114.93 116.27 3g49 h MET 795 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3g49 h MET 795 Cb 0.19 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.85 3g49 h MET 795 CO 0.00 0.00 0.00 1.28 1.06 0.00 0.00 176.91 179.25 3g49 n LEU 796 N -2.72 1.14 -4.68 1.22 4.32 -0.57 -4.87 117.00 110.84 3g49 n LEU 796 Ca -0.02 -1.02 -0.48 0.00 -0.02 0.00 0.00 56.01 54.47 3g49 n LEU 796 Cb 0.22 -0.00 -0.05 0.00 -1.62 0.00 0.00 43.42 41.97 3g49 n LEU 796 CO 0.14 0.27 1.50 1.67 -1.22 0.00 0.00 177.39 179.74 3g49 n GLN 797 N 0.08 2.20 -0.88 3.23 7.27 -1.20 -2.68 117.38 125.39 3g49 n GLN 797 Ca 0.01 0.81 0.00 0.00 0.07 0.00 0.00 57.00 57.88 3g49 n GLN 797 Cb 0.04 -2.65 0.00 0.00 2.41 0.00 0.00 30.24 30.04 3g49 n GLN 797 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3g49 n GLY 798 N 4.41 0.34 3.74 1.69 0.00 -0.90 -4.92 105.19 109.55 3g49 n GLY 798 Ca 0.23 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.83 3g49 n GLY 798 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3g49 s LYS 799 N -0.83 4.52 -0.27 1.61 -0.14 -1.09 -4.59 119.74 118.95 3g49 s LYS 799 Ca 0.00 1.83 -0.25 0.00 -1.36 0.00 0.00 55.97 56.20 3g49 s LYS 799 Cb 0.00 -3.25 -0.00 0.00 -1.68 0.00 0.00 37.83 32.90 3g49 s LYS 799 CO 0.00 -0.03 0.84 0.15 -0.76 0.00 0.00 175.35 175.54 3g49 s LYS 800 N -0.33 4.09 -0.05 1.68 3.01 -1.26 -1.19 119.74 125.68 3g49 s LYS 800 Ca 0.51 0.82 0.02 0.00 -1.01 0.00 0.00 55.97 56.31 3g49 s LYS 800 Cb -0.32 -3.69 0.02 0.00 -1.01 0.00 0.00 37.83 32.83 3g49 s LYS 800 CO 0.36 -0.62 -0.08 0.08 0.51 0.00 0.00 175.35 175.60 3g49 s VAL 801 N 2.96 0.82 -0.16 3.17 1.01 -0.41 -1.19 120.40 126.61 3g49 s VAL 801 Ca 0.35 -0.30 -0.07 0.00 0.00 0.00 0.00 61.98 61.95 3g49 s VAL 801 Cb -0.15 -0.78 -0.04 0.00 0.00 0.00 0.00 36.38 35.41 3g49 s VAL 801 CO 0.10 0.28 0.10 -0.63 0.00 0.00 0.00 175.10 174.95 3g49 s ILE 802 N 0.72 5.13 -0.10 2.22 1.01 -0.33 -1.18 121.20 128.67 3g49 s ILE 802 Ca -0.12 0.08 0.01 0.00 0.00 0.00 0.00 60.65 60.62 3g49 s ILE 802 Cb -0.15 -3.28 0.02 0.00 0.01 0.00 0.00 42.46 39.06 3g49 s ILE 802 CO 0.02 0.51 -0.13 -0.69 0.00 0.00 0.00 174.94 174.66 3g49 s VAL 803 N -0.15 1.31 0.27 2.92 1.01 -0.72 -1.02 120.40 124.01 3g49 s VAL 803 Ca 0.09 -0.52 0.06 0.00 0.00 0.00 0.00 61.98 61.60 3g49 s VAL 803 Cb -0.12 -1.22 -0.02 0.00 0.00 0.00 0.00 36.38 35.01 3g49 s VAL 803 CO 0.01 0.40 0.38 0.42 0.00 0.00 0.00 175.10 176.31 3g49 s THR 804 N 1.09 4.87 -0.73 3.92 -4.23 -0.49 -2.39 115.64 117.69 3g49 s THR 804 Ca -0.05 -1.02 0.00 0.00 -1.18 0.00 0.00 61.69 59.44 3g49 s THR 804 Cb -0.14 -3.70 0.00 0.00 1.34 0.00 0.00 72.50 69.99 3g49 s THR 804 CO -0.02 -0.28 0.00 0.61 -0.54 0.00 0.00 174.62 174.39 3g49 n GLY 805 N -1.46 0.63 1.20 3.99 0.00 -0.91 -3.68 105.19 104.97 3g49 n GLY 805 Ca -0.06 -0.67 0.08 0.00 0.00 0.00 0.00 46.02 45.37 3g49 n GLY 805 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g49 n ALA 806 N 0.25 2.72 0.68 4.61 0.00 -0.86 -3.87 120.51 124.04 3g49 n ALA 806 Ca -0.08 -1.13 0.12 0.00 0.00 0.00 0.00 53.44 52.35 3g49 n ALA 806 Cb 0.36 -0.99 0.11 0.00 0.00 0.00 0.00 19.45 18.92 3g49 n ALA 806 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3g49 n SER 807 N 0.99 0.63 -3.62 0.00 3.41 -1.26 -2.81 113.62 110.97 3g49 n SER 807 Ca 0.20 -0.16 -0.06 0.00 -0.26 0.00 0.00 58.87 58.59 3g49 n SER 807 Cb 0.62 0.51 -0.02 0.00 -0.26 0.00 0.00 64.21 65.06 3g49 n SER 807 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 3g49 s LYS 808 N -3.14 0.94 3.51 4.33 -2.85 -1.26 -4.73 119.74 116.54 3g49 s LYS 808 Ca 0.06 -0.44 0.00 0.00 -1.00 0.00 0.00 55.97 54.59 3g49 s LYS 808 Cb 0.15 0.37 0.00 0.00 -2.06 0.00 0.00 37.83 36.29 3g49 s LYS 808 CO 0.76 -0.42 0.00 0.41 0.10 0.00 0.00 175.35 176.20 3g49 n GLY 809 N -0.35 0.19 0.18 0.59 0.00 -1.26 -1.85 105.19 102.69 3g49 n GLY 809 Ca -0.07 -0.94 -0.09 0.00 0.00 0.00 0.00 46.02 44.92 3g49 n GLY 809 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3g49 h ILE 810 N 0.00 1.18 -0.27 -0.61 2.04 -1.90 -2.57 117.51 115.38 3g49 h ILE 810 Ca 0.00 -0.55 0.03 0.00 1.00 0.00 0.00 64.86 65.34 3g49 h ILE 810 Cb 0.00 0.87 -0.03 0.00 -0.74 0.00 0.00 36.82 36.92 3g49 h ILE 810 CO 0.00 0.20 0.07 1.23 0.00 0.00 0.00 178.15 179.65 3g49 h GLY 811 N 0.44 0.32 1.13 5.37 0.00 -1.67 -1.81 103.07 106.85 3g49 h GLY 811 Ca 0.12 -0.04 0.02 0.00 0.00 0.00 0.00 47.33 47.43 3g49 h GLY 811 CO -0.01 0.01 0.55 -0.09 0.00 0.00 0.00 176.54 177.00 3g49 h ARG 812 N 0.18 1.06 0.00 4.80 2.43 -1.20 0.88 114.38 122.54 3g49 h ARG 812 Ca 0.12 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.22 3g49 h ARG 812 Cb 0.11 -0.24 -0.00 0.00 -0.42 0.00 0.00 29.97 29.42 3g49 h ARG 812 CO -0.14 0.70 -0.02 0.93 -1.51 0.00 0.00 179.97 179.92 3g49 h GLU 813 N 1.09 0.00 0.16 0.20 4.39 -0.94 -3.08 114.58 116.40 3g49 h GLU 813 Ca 0.32 0.00 -0.36 0.00 0.34 0.00 0.00 59.36 59.66 3g49 h GLU 813 Cb -0.06 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.59 3g49 h GLU 813 CO -0.08 0.02 -1.85 0.82 -1.16 0.00 0.00 179.01 176.77 3g49 h ILE 814 N 0.00 0.80 -0.81 3.13 2.04 -0.09 -2.72 117.51 119.86 3g49 h ILE 814 Ca -0.00 -2.43 0.16 0.00 1.00 0.00 0.00 64.86 63.59 3g49 h ILE 814 Cb 0.28 2.65 -0.10 0.00 -0.74 0.00 0.00 36.82 38.91 3g49 h ILE 814 CO 0.00 0.87 0.35 0.00 0.00 0.00 0.00 178.15 179.38 3g49 h ALA 815 N 0.09 1.20 0.41 1.87 0.00 -1.25 -1.85 119.26 119.72 3g49 h ALA 815 Ca -0.38 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 3g49 h ALA 815 Cb 2.06 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.94 3g49 h ALA 815 CO 0.14 -0.21 -0.20 1.88 0.00 0.00 0.00 179.25 180.86 3g49 h TYR 816 N 0.47 -0.51 -0.88 0.00 0.05 -1.40 0.25 116.97 114.96 3g49 h TYR 816 Ca 0.46 -0.01 0.07 0.00 0.05 0.00 0.00 58.73 59.30 3g49 h TYR 816 Cb 0.74 0.17 -0.07 0.00 1.01 0.00 0.00 36.73 38.58 3g49 h TYR 816 CO -0.14 -0.25 0.55 0.45 -1.05 0.00 0.00 178.16 177.72 3g49 h HIS 817 N -0.68 1.01 -0.37 4.88 3.86 -1.53 0.20 115.15 122.53 3g49 h HIS 817 Ca -0.06 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.16 3g49 h HIS 817 Cb 0.49 -0.32 -0.02 0.00 1.06 0.00 0.00 27.41 28.62 3g49 h HIS 817 CO -0.02 0.49 0.16 -0.07 0.86 0.00 0.00 177.93 179.35 3g49 h LEU 818 N 0.98 0.50 -1.85 2.43 3.38 -0.41 -1.53 115.31 118.80 3g49 h LEU 818 Ca 0.39 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 58.19 3g49 h LEU 818 Cb 0.22 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 3g49 h LEU 818 CO -0.19 0.51 -0.10 0.00 0.09 0.00 0.00 178.44 178.75 3g49 h ALA 819 N 1.00 1.76 0.00 1.53 0.00 0.18 -1.15 119.26 122.58 3g49 h ALA 819 Ca 0.12 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 3g49 h ALA 819 Cb 0.16 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3g49 h ALA 819 CO -0.01 0.13 -0.34 0.87 0.00 0.00 0.00 179.25 179.89 3g49 h LYS 820 N 0.00 0.00 0.00 0.00 1.57 0.28 -1.40 116.57 117.02 3g49 h LYS 820 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3g49 h LYS 820 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.50 3g49 h LYS 820 CO 0.01 0.34 -0.18 -1.33 -0.57 0.00 0.00 179.45 177.73 3g49 n MET 821 N -3.33 0.12 -1.88 3.15 2.81 -0.52 -4.92 117.12 112.57 3g49 n MET 821 Ca 0.01 0.08 0.00 0.00 -1.81 0.00 0.00 57.70 55.98 3g49 n MET 821 Cb 0.57 -1.62 0.00 0.00 -0.71 0.00 0.00 33.22 31.46 3g49 n MET 821 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3g49 n GLY 822 N 1.42 0.47 3.90 3.03 0.00 -0.72 -3.29 105.19 110.00 3g49 n GLY 822 Ca 0.06 -0.84 -0.28 0.00 0.00 0.00 0.00 46.02 44.96 3g49 n GLY 822 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g49 s ALA 823 N -2.00 3.23 0.27 4.61 0.00 -1.09 -2.12 121.76 124.67 3g49 s ALA 823 Ca 0.00 -0.42 -0.29 0.00 0.00 0.00 0.00 51.96 51.24 3g49 s ALA 823 Cb 0.00 -2.78 -0.10 0.00 0.00 0.00 0.00 23.12 20.25 3g49 s ALA 823 CO 0.00 -0.65 1.25 -1.01 0.00 0.00 0.00 175.76 175.35 3g49 s HIS 824 N -3.00 3.27 -0.01 0.00 3.76 -0.33 -2.44 115.29 116.55 3g49 s HIS 824 Ca 0.52 1.43 0.02 0.00 -0.15 0.00 0.00 55.06 56.89 3g49 s HIS 824 Cb -0.11 -3.54 -0.01 0.00 1.11 0.00 0.00 32.58 30.04 3g49 s HIS 824 CO 0.48 -1.48 -0.08 0.14 -0.85 0.00 0.00 174.74 172.95 3g49 s VAL 825 N -0.71 0.64 -0.18 -0.90 -7.23 -1.18 -1.28 120.40 109.55 3g49 s VAL 825 Ca 0.50 -0.34 0.01 0.00 -1.81 0.00 0.00 61.98 60.34 3g49 s VAL 825 Cb -0.36 -0.54 0.03 0.00 0.56 0.00 0.00 36.38 36.07 3g49 s VAL 825 CO 0.44 0.18 -0.17 -0.69 -0.31 0.00 0.00 175.10 174.55 3g49 s VAL 826 N -0.19 1.95 0.06 1.32 1.01 -0.32 -1.84 120.40 122.39 3g49 s VAL 826 Ca 0.03 -0.97 -0.08 0.00 0.00 0.00 0.00 61.98 60.97 3g49 s VAL 826 Cb -0.03 -1.82 -0.05 0.00 0.00 0.00 0.00 36.38 34.47 3g49 s VAL 826 CO -0.00 0.43 0.34 0.68 0.00 0.00 0.00 175.10 176.55 3g49 s VAL 827 N 1.31 5.19 0.09 2.92 -7.23 -0.39 -1.76 120.40 120.54 3g49 s VAL 827 Ca 0.03 0.26 -0.02 0.00 -1.81 0.00 0.00 61.98 60.43 3g49 s VAL 827 Cb -0.14 -3.61 -0.03 0.00 0.56 0.00 0.00 36.38 33.15 3g49 s VAL 827 CO -0.11 0.27 0.05 0.28 -0.31 0.00 0.00 175.10 175.28 3g49 s THR 828 N -1.40 0.15 -1.51 5.32 -1.32 -1.01 -1.58 115.64 114.29 3g49 s THR 828 Ca 0.32 -1.76 0.00 0.00 -1.21 0.00 0.00 61.69 59.04 3g49 s THR 828 Cb -0.13 -1.74 0.00 0.00 -1.51 0.00 0.00 72.50 69.12 3g49 s THR 828 CO 0.19 -0.70 0.00 0.00 -2.21 0.00 0.00 174.62 171.90 3g49 n ALA 829 N -0.01 0.00 -0.00 11.08 0.00 -1.24 -2.03 120.51 128.30 3g49 n ALA 829 Ca -0.10 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.15 3g49 n ALA 829 Cb 0.62 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.94 3g49 n ALA 829 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3g49 h ARG 830 N 0.00 0.19 -6.50 0.00 3.08 -1.91 2.02 114.38 111.26 3g49 h ARG 830 Ca 0.00 -0.33 -0.57 0.00 0.07 0.00 0.00 59.98 59.15 3g49 h ARG 830 Cb 0.00 0.12 -0.06 0.00 0.08 0.00 0.00 29.97 30.11 3g49 h ARG 830 CO 0.00 1.16 0.90 0.45 -1.07 0.00 0.00 179.97 181.41 3g49 s SER 831 N -6.81 6.75 0.26 7.04 0.15 -1.26 -3.99 113.70 115.85 3g49 s SER 831 Ca -0.18 0.79 -0.03 0.00 0.70 0.00 0.00 55.95 57.23 3g49 s SER 831 Cb 0.01 -2.55 0.33 0.00 -1.71 0.00 0.00 66.02 62.11 3g49 s SER 831 CO 0.76 -1.09 1.83 0.11 1.20 0.00 0.00 173.24 176.06 3g49 h LYS 832 N 8.79 0.99 0.41 5.44 6.56 -1.97 -2.10 116.57 134.69 3g49 h LYS 832 Ca -0.22 -0.17 -0.02 0.00 -1.06 0.00 0.00 60.65 59.18 3g49 h LYS 832 Cb 1.06 -0.16 0.00 0.00 -0.57 0.00 0.00 32.23 32.56 3g49 h LYS 832 CO 1.08 0.82 -0.20 0.93 -2.06 0.00 0.00 179.45 180.02 3g49 h GLU 833 N 0.96 -0.53 -0.43 3.15 5.08 -1.99 0.11 114.58 120.95 3g49 h GLU 833 Ca 0.22 0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.58 3g49 h GLU 833 Cb 0.21 0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.56 3g49 h GLU 833 CO -0.02 -0.33 0.11 0.00 -1.00 0.00 0.00 179.01 177.77 3g49 h ALA 834 N 0.01 0.56 -0.74 3.43 0.00 -1.86 -1.17 119.26 119.50 3g49 h ALA 834 Ca -0.06 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.61 3g49 h ALA 834 Cb 0.44 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 3g49 h ALA 834 CO 0.09 0.24 0.26 -0.07 0.00 0.00 0.00 179.25 179.77 3g49 h LEU 835 N 0.55 1.06 -0.75 0.00 3.38 -1.23 -2.81 115.31 115.51 3g49 h LEU 835 Ca 0.13 -0.20 0.02 0.00 0.09 0.00 0.00 57.88 57.93 3g49 h LEU 835 Cb 0.31 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.74 3g49 h LEU 835 CO 0.00 0.97 0.49 1.56 0.09 0.00 0.00 178.44 181.55 3g49 h GLN 836 N 1.09 0.95 -0.44 1.13 4.20 -0.20 0.59 115.11 122.43 3g49 h GLN 836 Ca 0.24 -0.06 -0.04 0.00 0.06 0.00 0.00 58.65 58.85 3g49 h GLN 836 Cb 0.27 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 27.82 3g49 h GLN 836 CO -0.01 0.63 0.10 0.87 -0.67 0.00 0.00 178.83 179.74 3g49 h LYS 837 N 0.98 0.66 -0.69 1.46 1.57 -1.14 -2.28 116.57 117.13 3g49 h LYS 837 Ca 0.29 -0.12 -0.05 0.00 -1.87 0.00 0.00 60.65 58.90 3g49 h LYS 837 Cb -0.06 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.11 3g49 h LYS 837 CO -0.08 0.61 0.24 0.28 -0.57 0.00 0.00 179.45 179.93 3g49 h VAL 838 N 0.64 1.25 0.31 0.50 2.07 -0.65 -1.93 116.25 118.44 3g49 h VAL 838 Ca 0.15 -0.82 -0.02 0.00 0.82 0.00 0.00 66.70 66.83 3g49 h VAL 838 Cb 0.26 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 30.49 3g49 h VAL 838 CO -0.00 0.32 -0.15 0.58 0.02 0.00 0.00 177.57 178.34 3g49 h VAL 839 N 1.01 0.53 -1.00 2.57 2.07 -1.02 0.53 116.25 120.95 3g49 h VAL 839 Ca 0.23 -0.76 0.23 0.00 0.82 0.00 0.00 66.70 67.21 3g49 h VAL 839 Cb 0.25 0.84 -0.10 0.00 -1.52 0.00 0.00 31.29 30.76 3g49 h VAL 839 CO -0.01 0.12 0.63 0.00 0.02 0.00 0.00 177.57 178.33 3g49 h ALA 840 N -0.55 2.02 -0.26 1.67 0.00 -1.36 0.38 119.26 121.17 3g49 h ALA 840 Ca -0.04 0.07 -0.17 0.00 0.00 0.00 0.00 54.91 54.76 3g49 h ALA 840 Cb 0.51 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3g49 h ALA 840 CO 0.07 -0.41 -0.50 -0.09 0.00 0.00 0.00 179.25 178.32 3g49 h ARG 841 N 0.52 0.80 -0.03 0.00 9.65 -0.89 -3.06 114.38 121.38 3g49 h ARG 841 Ca 0.57 -0.51 0.03 0.00 -1.10 0.00 0.00 59.98 58.97 3g49 h ARG 841 Cb 1.25 0.06 -0.05 0.00 -1.39 0.00 0.00 29.97 29.84 3g49 h ARG 841 CO -0.32 1.14 -0.24 0.00 2.80 0.00 0.00 179.97 183.35 3g49 h LEU 843 N -0.36 0.54 -0.92 0.00 3.38 -1.20 -0.95 115.31 115.80 3g49 h LEU 843 Ca 0.07 0.07 -0.11 0.00 0.09 0.00 0.00 57.88 58.00 3g49 h LEU 843 Cb 0.46 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 3g49 h LEU 843 CO -0.24 0.18 -0.52 -0.33 0.09 0.00 0.00 178.44 177.62 3g49 h GLU 844 N 0.52 0.00 -0.00 1.13 5.08 -1.38 -3.13 114.58 116.80 3g49 h GLU 844 Ca 0.54 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.90 3g49 h GLU 844 Cb 1.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 3g49 h GLU 844 CO -0.27 0.52 -0.02 1.28 -1.00 0.00 0.00 179.01 179.53 3g49 n LEU 845 N -3.84 0.04 0.00 1.33 4.77 -0.40 -4.90 117.00 113.99 3g49 n LEU 845 Ca -0.01 0.35 0.00 0.00 -0.03 0.00 0.00 56.01 56.32 3g49 n LEU 845 Cb 0.55 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 3g49 n LEU 845 CO 0.40 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.08 3g49 n GLY 846 N 1.38 1.25 3.61 -0.72 0.00 -1.06 -3.97 105.19 105.68 3g49 n GLY 846 Ca 0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.70 3g49 n GLY 846 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g49 n ALA 847 N -1.35 0.15 0.09 4.61 0.00 -0.55 -4.30 120.51 119.15 3g49 n ALA 847 Ca 0.00 0.31 -0.04 0.00 0.00 0.00 0.00 53.44 53.71 3g49 n ALA 847 Cb 0.00 -2.07 -0.07 0.00 0.00 0.00 0.00 19.45 17.31 3g49 n ALA 847 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3g49 h ALA 848 N 1.83 0.47 -2.39 0.00 0.00 -1.56 -3.44 119.26 114.17 3g49 h ALA 848 Ca -0.43 -0.75 -0.11 0.00 0.00 0.00 0.00 54.91 53.63 3g49 h ALA 848 Cb 1.33 -0.12 -0.15 0.00 0.00 0.00 0.00 17.79 18.85 3g49 h ALA 848 CO 0.59 1.02 -0.54 0.45 0.00 0.00 0.00 179.25 180.77 3g49 s SER 849 N -6.61 0.31 -0.29 0.00 0.15 -1.22 -4.89 113.70 101.16 3g49 s SER 849 Ca 0.02 -0.81 -0.12 0.00 0.70 0.00 0.00 55.95 55.74 3g49 s SER 849 Cb 0.09 0.26 0.11 0.00 -1.71 0.00 0.00 66.02 64.77 3g49 s SER 849 CO 0.79 -0.64 0.65 0.00 1.20 0.00 0.00 173.24 175.25 3g49 s ALA 850 N -3.73 -1.94 0.06 5.45 0.00 -1.26 -3.09 121.76 117.25 3g49 s ALA 850 Ca 0.05 2.34 -0.04 0.00 0.00 0.00 0.00 51.96 54.31 3g49 s ALA 850 Cb 0.06 -1.62 -0.02 0.00 0.00 0.00 0.00 23.12 21.54 3g49 s ALA 850 CO -0.10 -0.70 0.07 -1.01 0.00 0.00 0.00 175.76 174.02 3g49 s HIS 851 N 2.38 0.33 0.09 0.00 3.76 -0.77 -4.97 115.29 116.12 3g49 s HIS 851 Ca -0.07 -0.79 0.02 0.00 -0.15 0.00 0.00 55.06 54.07 3g49 s HIS 851 Cb -0.09 -0.23 -0.04 0.00 1.11 0.00 0.00 32.58 33.33 3g49 s HIS 851 CO -0.19 -0.43 -0.08 1.52 -0.85 0.00 0.00 174.74 174.71 3g49 s TYR 852 N -3.60 0.92 -0.15 1.40 -0.85 -1.26 -1.26 117.35 112.53 3g49 s TYR 852 Ca 0.04 -0.79 -0.04 0.00 -0.52 0.00 0.00 57.07 55.75 3g49 s TYR 852 Cb 0.05 -0.52 0.07 0.00 0.38 0.00 0.00 41.96 41.94 3g49 s TYR 852 CO -0.09 -0.09 0.17 0.42 -1.52 0.00 0.00 175.55 174.44 3g49 s ILE 853 N -3.04 -0.25 -0.09 -3.49 1.01 -0.62 -4.94 121.20 109.78 3g49 s ILE 853 Ca 0.08 0.04 -0.25 0.00 0.00 0.00 0.00 60.65 60.52 3g49 s ILE 853 Cb 0.01 -0.52 -0.03 0.00 0.01 0.00 0.00 42.46 41.93 3g49 s ILE 853 CO -0.03 -0.09 0.77 0.00 0.00 0.00 0.00 174.94 175.59 3g49 s ALA 854 N 2.28 3.37 -0.09 9.38 0.00 -1.26 -3.66 121.76 131.78 3g49 s ALA 854 Ca 0.04 0.15 -0.31 0.00 0.00 0.00 0.00 51.96 51.85 3g49 s ALA 854 Cb -0.14 -3.09 0.12 0.00 0.00 0.00 0.00 23.12 20.01 3g49 s ALA 854 CO -0.09 -0.29 1.01 0.20 0.00 0.00 0.00 175.76 176.60 3g49 s GLY 855 N 0.94 -0.38 0.12 0.00 0.00 0.68 -4.92 107.32 103.77 3g49 s GLY 855 Ca 0.39 1.33 -0.30 0.00 0.00 0.00 0.00 44.72 46.15 3g49 s GLY 855 CO 0.18 0.48 1.03 -0.45 0.00 0.00 0.00 173.10 174.33 3g49 s SER 856 N -2.23 7.38 0.00 1.64 0.15 -1.26 -3.29 113.70 116.09 3g49 s SER 856 Ca 0.06 1.90 0.11 0.00 0.70 0.00 0.00 55.95 58.72 3g49 s SER 856 Cb -0.01 -2.59 0.38 0.00 -1.71 0.00 0.00 66.02 62.09 3g49 s SER 856 CO -0.07 -0.16 1.29 0.23 1.20 0.00 0.00 173.24 175.73 3g49 n MET 857 N 2.79 1.54 0.25 5.44 0.00 -1.26 -2.56 117.12 123.32 3g49 n MET 857 Ca 0.03 -0.84 0.16 0.00 0.00 0.00 0.00 57.70 57.06 3g49 n MET 857 Cb 0.48 -1.23 0.66 0.00 0.00 0.00 0.00 33.22 33.13 3g49 n MET 857 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 175.97 177.46 3g49 h GLU 858 N 1.43 0.00 -4.46 0.03 4.81 -1.88 -3.38 114.58 111.13 3g49 h GLU 858 Ca 0.00 0.00 -0.72 0.00 -0.13 0.00 0.00 59.36 58.51 3g49 h GLU 858 Cb 0.32 0.00 -0.27 0.00 0.63 0.00 0.00 28.75 29.44 3g49 h GLU 858 CO 0.00 0.00 -0.46 0.34 -0.73 0.00 0.00 179.01 178.16 3g49 s ASP 859 N -5.31 5.71 0.59 1.04 -1.08 -1.06 -4.89 116.67 111.66 3g49 s ASP 859 Ca 0.02 -1.38 0.32 0.00 -0.52 0.00 0.00 52.55 50.98 3g49 s ASP 859 Cb 0.09 -2.01 1.82 0.00 -1.46 0.00 0.00 42.92 41.36 3g49 s ASP 859 CO 0.50 -0.52 2.22 0.24 0.52 0.00 0.00 175.17 178.13 3g49 h MET 860 N 8.45 0.00 0.08 4.34 2.86 -1.87 -2.37 114.93 126.41 3g49 h MET 860 Ca -0.24 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.40 3g49 h MET 860 Cb 1.09 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.75 3g49 h MET 860 CO 0.75 0.03 -0.04 1.15 1.06 0.00 0.00 176.91 179.87 3g49 h THR 861 N 0.00 1.20 -0.80 2.22 2.02 -1.95 -2.23 112.91 113.37 3g49 h THR 861 Ca -0.00 -1.29 0.19 0.00 0.77 0.00 0.00 66.41 66.08 3g49 h THR 861 Cb 0.10 1.99 -0.13 0.00 -1.74 0.00 0.00 68.15 68.37 3g49 h THR 861 CO 0.00 0.30 0.16 0.15 0.37 0.00 0.00 175.52 176.51 3g49 h PHE 862 N -0.72 0.24 0.53 3.16 3.57 -1.81 0.30 116.94 122.21 3g49 h PHE 862 Ca -0.01 0.05 -0.02 0.00 3.53 0.00 0.00 57.97 61.52 3g49 h PHE 862 Cb 0.58 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.33 3g49 h PHE 862 CO 0.11 -0.16 -0.34 0.00 -2.23 0.00 0.00 178.31 175.69 3g49 h ALA 863 N 1.70 -0.85 -0.03 2.41 0.00 -1.36 1.08 119.26 122.22 3g49 h ALA 863 Ca 0.47 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 55.25 3g49 h ALA 863 Cb 0.87 0.43 -0.06 0.00 0.00 0.00 0.00 17.79 19.03 3g49 h ALA 863 CO -0.60 -0.99 -0.46 1.49 0.00 0.00 0.00 179.25 178.69 3g49 h GLU 864 N -0.83 -0.57 -0.62 0.00 4.81 -1.21 -2.67 114.58 113.49 3g49 h GLU 864 Ca -0.06 0.04 -0.08 0.00 -0.13 0.00 0.00 59.36 59.13 3g49 h GLU 864 Cb 0.69 0.13 -0.02 0.00 0.63 0.00 0.00 28.75 30.17 3g49 h GLU 864 CO 0.05 -0.38 0.07 0.93 -0.73 0.00 0.00 179.01 178.95 3g49 h GLU 865 N -0.59 1.03 -0.92 1.92 5.08 -0.28 -2.75 114.58 118.07 3g49 h GLU 865 Ca 0.04 -0.28 0.23 0.00 -1.00 0.00 0.00 59.36 58.35 3g49 h GLU 865 Cb 0.67 -0.12 -0.13 0.00 0.50 0.00 0.00 28.75 29.68 3g49 h GLU 865 CO -0.35 0.97 0.43 0.35 -1.00 0.00 0.00 179.01 179.41 3g49 h PHE 866 N 0.96 0.72 0.04 4.33 3.57 0.12 -1.93 116.94 124.75 3g49 h PHE 866 Ca 0.19 0.04 -0.23 0.00 3.53 0.00 0.00 57.97 61.50 3g49 h PHE 866 Cb 0.46 -0.17 -0.00 0.00 2.79 0.00 0.00 35.95 39.02 3g49 h PHE 866 CO 0.03 -0.04 -1.00 0.28 -2.23 0.00 0.00 178.31 175.35 3g49 h VAL 867 N 0.42 1.49 0.03 1.41 2.07 -1.18 -0.21 116.25 120.28 3g49 h VAL 867 Ca 0.58 -2.75 -0.00 0.00 0.82 0.00 0.00 66.70 65.35 3g49 h VAL 867 Cb 1.13 2.61 0.00 0.00 -1.52 0.00 0.00 31.29 33.50 3g49 h VAL 867 CO -0.53 0.81 -0.01 0.00 0.02 0.00 0.00 177.57 177.85 3g49 h ALA 868 N 0.81 -0.04 -0.12 1.67 0.00 -1.22 -3.01 119.26 117.35 3g49 h ALA 868 Ca -0.07 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.70 3g49 h ALA 868 Cb 1.67 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.46 3g49 h ALA 868 CO 0.16 -0.47 -0.30 1.49 0.00 0.00 0.00 179.25 180.13 3g49 h GLU 869 N -0.14 0.23 -1.00 0.00 4.57 -1.34 -1.55 114.58 115.35 3g49 h GLU 869 Ca -0.00 -0.08 0.12 0.00 -1.18 0.00 0.00 59.36 58.22 3g49 h GLU 869 Cb 0.12 -0.01 -0.09 0.00 -0.16 0.00 0.00 28.75 28.61 3g49 h GLU 869 CO 0.01 0.51 0.63 0.00 -1.18 0.00 0.00 179.01 178.98 3g49 h ALA 870 N 1.49 1.53 0.07 2.92 0.00 -1.06 -0.84 119.26 123.37 3g49 h ALA 870 Ca 0.03 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 3g49 h ALA 870 Cb 0.64 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3g49 h ALA 870 CO 0.05 0.21 -0.03 0.78 0.00 0.00 0.00 179.25 180.26 3g49 h GLY 871 N 0.98 -0.09 -0.61 0.00 0.00 -1.17 -2.25 103.07 99.93 3g49 h GLY 871 Ca 0.50 0.03 0.17 0.00 0.00 0.00 0.00 47.33 48.04 3g49 h GLY 871 CO -0.27 -0.03 -0.15 3.43 0.00 0.00 0.00 176.54 179.52 3g49 h ASN 872 N -0.79 -0.67 0.46 0.19 2.35 -1.42 1.22 115.58 116.92 3g49 h ASN 872 Ca -0.01 0.24 -0.02 0.00 -0.55 0.00 0.00 56.30 55.96 3g49 h ASN 872 Cb 0.62 0.48 -0.00 0.00 0.05 0.00 0.00 38.32 39.46 3g49 h ASN 872 CO 0.01 -0.26 -0.11 -0.07 -1.65 0.00 0.00 177.43 175.35 3g49 h LEU 873 N 0.02 0.00 -2.45 1.61 3.38 -0.84 -0.75 115.31 116.28 3g49 h LEU 873 Ca 0.41 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.38 3g49 h LEU 873 Cb 0.67 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.42 3g49 h LEU 873 CO -0.82 0.11 0.00 0.23 0.09 0.00 0.00 178.44 178.05 3g49 n MET 874 N -3.52 1.90 -3.68 1.13 2.81 -0.81 -5.01 117.12 109.94 3g49 n MET 874 Ca -0.01 -1.23 -0.24 0.00 -1.81 0.00 0.00 57.70 54.40 3g49 n MET 874 Cb 0.25 -1.00 0.03 0.00 -0.71 0.00 0.00 33.22 31.79 3g49 n MET 874 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3g49 n GLY 875 N -0.35 -0.61 0.00 3.03 0.00 0.41 -4.89 105.19 102.79 3g49 n GLY 875 Ca 0.00 0.29 0.00 0.00 0.00 0.00 0.00 46.02 46.31 3g49 n GLY 875 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3g49 n GLY 876 N -1.62 1.14 3.04 -0.02 0.00 -0.66 -5.00 105.19 102.06 3g49 n GLY 876 Ca -0.21 -2.10 -0.11 0.00 0.00 0.00 0.00 46.02 43.59 3g49 n GLY 876 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3g49 s LEU 877 N 0.00 -0.46 -0.05 0.99 2.96 -1.26 -4.60 118.68 116.26 3g49 s LEU 877 Ca 0.00 0.56 0.21 0.00 -0.22 0.00 0.00 54.13 54.67 3g49 s LEU 877 Cb 0.00 0.96 -0.28 0.00 0.50 0.00 0.00 46.19 47.38 3g49 s LEU 877 CO 0.00 -0.26 0.44 0.47 -1.32 0.00 0.00 176.35 175.68 3g49 n ASP 878 N 5.36 0.13 -3.62 3.68 10.43 -0.52 -3.71 116.55 128.32 3g49 n ASP 878 Ca -0.06 0.05 -0.03 0.00 2.57 0.00 0.00 54.79 57.32 3g49 n ASP 878 Cb 0.50 1.47 -0.06 0.00 1.84 0.00 0.00 41.12 44.87 3g49 n ASP 878 CO 0.00 0.00 0.00 -0.32 -1.07 0.00 0.00 177.20 175.81 3g49 s MET 879 N -3.18 0.57 -0.26 -1.24 0.00 -0.33 -1.80 119.30 113.06 3g49 s MET 879 Ca -0.08 1.15 -0.01 0.00 0.00 0.00 0.00 55.69 56.76 3g49 s MET 879 Cb 0.11 0.39 0.04 0.00 0.00 0.00 0.00 34.83 35.37 3g49 s MET 879 CO 0.87 -0.15 -0.07 -1.17 0.00 0.00 0.00 175.02 174.51 3g49 s LEU 880 N 2.07 3.29 -0.37 4.11 2.96 -0.65 -1.18 118.68 128.91 3g49 s LEU 880 Ca -0.08 -1.02 -0.06 0.00 -0.22 0.00 0.00 54.13 52.75 3g49 s LEU 880 Cb -0.07 -1.64 0.06 0.00 0.50 0.00 0.00 46.19 45.04 3g49 s LEU 880 CO -0.19 -0.15 0.15 -0.63 -1.32 0.00 0.00 176.35 174.21 3g49 s ILE 881 N 1.27 3.71 -0.56 6.68 1.01 -0.19 -1.20 121.20 131.91 3g49 s ILE 881 Ca -0.02 -1.41 -0.20 0.00 0.00 0.00 0.00 60.65 59.02 3g49 s ILE 881 Cb -0.18 -3.23 0.07 0.00 0.01 0.00 0.00 42.46 39.14 3g49 s ILE 881 CO -0.05 -0.35 0.74 -0.76 0.00 0.00 0.00 174.94 174.52 3g49 s LEU 882 N 1.34 4.93 0.00 2.97 1.43 0.30 -1.39 118.68 128.27 3g49 s LEU 882 Ca 0.01 -1.05 0.00 0.00 -1.03 0.00 0.00 54.13 52.06 3g49 s LEU 882 Cb -0.21 -2.43 0.00 0.00 0.03 0.00 0.00 46.19 43.58 3g49 s LEU 882 CO 0.01 -1.09 0.00 -3.20 0.23 0.00 0.00 176.35 172.30 3g49 n ASN 883 N 6.60 2.20 -4.76 2.29 2.85 -1.25 -1.68 115.26 121.51 3g49 n ASN 883 Ca -0.06 -0.03 -0.33 0.00 -0.11 0.00 0.00 54.58 54.05 3g49 n ASN 883 Cb 0.45 0.50 0.07 0.00 1.24 0.00 0.00 39.78 42.04 3g49 n ASN 883 CO 0.00 0.00 0.00 -1.38 -2.11 0.00 0.00 177.26 173.77 3g49 s HIS 884 N -0.94 2.49 0.15 1.20 -3.43 -1.24 -4.83 115.29 108.68 3g49 s HIS 884 Ca 0.00 1.57 -0.16 0.00 -0.80 0.00 0.00 55.06 55.67 3g49 s HIS 884 Cb 0.00 -3.19 0.03 0.00 -1.43 0.00 0.00 32.58 27.99 3g49 s HIS 884 CO 0.00 -1.89 0.43 0.54 -2.00 0.00 0.00 174.74 171.82 3g49 s VAL 885 N -2.45 0.06 -0.26 -5.38 0.11 -1.26 -4.78 120.40 106.44 3g49 s VAL 885 Ca 0.66 -0.72 -0.11 0.00 -2.93 0.00 0.00 61.98 58.89 3g49 s VAL 885 Cb -0.21 -1.36 -0.05 0.00 -1.53 0.00 0.00 36.38 33.23 3g49 s VAL 885 CO 0.46 -0.25 0.17 -0.22 -3.33 0.00 0.00 175.10 171.93 3g49 s LEU 886 N -2.84 4.04 0.19 2.54 2.96 -1.26 -5.00 118.68 119.31 3g49 s LEU 886 Ca 0.06 0.04 -0.33 0.00 -0.22 0.00 0.00 54.13 53.68 3g49 s LEU 886 Cb 0.01 -2.10 -0.13 0.00 0.50 0.00 0.00 46.19 44.46 3g49 s LEU 886 CO -0.08 0.01 1.60 0.00 -1.32 0.00 0.00 176.35 176.56 3g49 n TYR 887 N 4.68 2.43 -3.76 5.38 9.36 -1.26 -5.00 117.16 128.98 3g49 n TYR 887 Ca -0.15 0.22 -0.13 0.00 3.32 0.00 0.00 57.90 61.17 3g49 n TYR 887 Cb 0.52 -2.58 -0.12 0.00 -0.63 0.00 0.00 39.34 36.53 3g49 n TYR 887 CO 0.00 0.00 0.00 -0.80 0.22 0.00 0.00 176.86 176.28 3g49 s ASN 888 N 0.90 -0.24 0.63 2.98 -0.87 -1.26 -5.10 114.94 111.97 3g49 s ASN 888 Ca 0.76 0.48 -0.10 0.00 -1.57 0.00 0.00 52.86 52.43 3g49 s ASN 888 Cb -0.62 0.43 -0.02 0.00 -0.02 0.00 0.00 41.25 41.02 3g49 s ASN 888 CO 0.38 -0.12 1.01 0.00 -2.57 0.00 0.00 177.10 175.81 3g49 s ARG 889 N 0.63 3.33 -0.49 -0.60 1.70 -1.26 -5.00 118.95 117.27 3g49 s ARG 889 Ca -0.04 0.55 -0.28 0.00 -0.47 0.00 0.00 55.73 55.49 3g49 s ARG 889 Cb -0.06 -2.11 0.01 0.00 -0.57 0.00 0.00 34.95 32.22 3g49 s ARG 889 CO -0.04 -0.67 1.49 -0.51 -1.08 0.00 0.00 175.30 174.49 3g49 s LEU 890 N -5.17 3.47 0.04 -1.89 1.02 -1.26 -4.91 118.68 109.98 3g49 s LEU 890 Ca 0.55 0.59 -0.10 0.00 0.02 0.00 0.00 54.13 55.19 3g49 s LEU 890 Cb -0.11 -3.24 0.01 0.00 0.02 0.00 0.00 46.19 42.87 3g49 s LEU 890 CO 0.52 -1.66 0.21 0.28 0.02 0.00 0.00 176.35 175.71 3g49 s THR 891 N 6.16 0.10 0.56 5.49 -1.32 -0.73 -5.03 115.64 120.87 3g49 s THR 891 Ca 0.60 -0.85 -0.19 0.00 -1.21 0.00 0.00 61.69 60.04 3g49 s THR 891 Cb -0.13 -0.89 -0.07 0.00 -1.51 0.00 0.00 72.50 69.89 3g49 s THR 891 CO 0.28 -0.47 0.81 0.49 -2.21 0.00 0.00 174.62 173.52 3g49 n PHE 892 N 0.70 0.32 -2.90 9.09 3.72 -1.26 -4.26 117.46 122.87 3g49 n PHE 892 Ca -0.19 0.46 -0.41 0.00 -0.05 0.00 0.00 57.45 57.26 3g49 n PHE 892 Cb 0.59 -2.08 -0.04 0.00 -0.94 0.00 0.00 39.48 37.00 3g49 n PHE 892 CO 0.00 0.00 0.00 0.12 -0.05 0.00 0.00 176.76 176.83 3g49 s PHE 893 N -1.55 3.41 -0.26 1.38 5.36 -1.26 -4.96 117.98 120.11 3g49 s PHE 893 Ca 0.71 1.24 0.12 0.00 -0.96 0.00 0.00 56.93 58.04 3g49 s PHE 893 Cb -0.45 -3.01 0.46 0.00 -0.34 0.00 0.00 43.02 39.68 3g49 s PHE 893 CO 0.51 -0.25 1.18 0.72 -1.46 0.00 0.00 175.22 175.92 3g49 n HIS 894 N 5.28 1.86 -1.52 10.12 8.25 -1.26 -4.94 115.22 133.01 3g49 n HIS 894 Ca 0.04 -2.00 0.00 0.00 -0.26 0.00 0.00 57.72 55.50 3g49 n HIS 894 Cb 0.49 -0.29 0.00 0.00 1.12 0.00 0.00 29.99 31.30 3g49 n HIS 894 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3g49 n GLY 895 N -0.68 0.64 3.56 -1.41 0.00 -1.26 -4.99 105.19 101.06 3g49 n GLY 895 Ca 0.30 -0.75 -0.42 0.00 0.00 0.00 0.00 46.02 45.15 3g49 n GLY 895 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3g49 s GLU 896 N -3.20 3.76 0.17 1.61 8.01 -1.26 -4.78 118.70 123.00 3g49 s GLU 896 Ca 0.00 -1.50 -0.10 0.00 0.01 0.00 0.00 54.97 53.39 3g49 s GLU 896 Cb 0.00 -5.42 0.03 0.00 -4.31 0.00 0.00 34.13 24.43 3g49 s GLU 896 CO 0.00 -2.22 1.58 0.82 0.01 0.00 0.00 175.26 175.45 3g49 h ILE 897 N 6.27 1.27 -0.70 -1.63 2.04 -2.00 -2.76 117.51 120.00 3g49 h ILE 897 Ca 0.30 -1.33 0.02 0.00 1.00 0.00 0.00 64.86 64.85 3g49 h ILE 897 Cb 0.95 1.04 -0.04 0.00 -0.74 0.00 0.00 36.82 38.03 3g49 h ILE 897 CO 1.43 0.46 0.45 0.44 0.00 0.00 0.00 178.15 180.93 3g49 h ASP 898 N 0.89 0.75 0.18 1.72 3.32 -2.00 -2.53 116.42 118.74 3g49 h ASP 898 Ca 0.13 -0.01 -0.09 0.00 0.02 0.00 0.00 57.03 57.08 3g49 h ASP 898 Cb 0.74 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 40.11 3g49 h ASP 898 CO 0.06 0.53 -0.32 -1.13 -1.72 0.00 0.00 179.24 176.65 3g49 h ASN 899 N 0.89 0.22 -0.31 6.45 -1.24 -1.92 -0.06 115.58 119.60 3g49 h ASN 899 Ca 0.27 -0.08 0.04 0.00 0.71 0.00 0.00 56.30 57.24 3g49 h ASN 899 Cb -0.03 -0.06 -0.03 0.00 0.73 0.00 0.00 38.32 38.93 3g49 h ASN 899 CO -0.09 0.54 0.10 0.58 -1.29 0.00 0.00 177.43 177.27 3g49 h VAL 900 N 0.19 0.91 0.06 2.57 2.07 -1.18 -1.06 116.25 119.81 3g49 h VAL 900 Ca 0.03 -0.08 -0.25 0.00 0.82 0.00 0.00 66.70 67.22 3g49 h VAL 900 Cb 0.67 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 31.10 3g49 h VAL 900 CO 0.05 0.04 -1.08 -0.09 0.02 0.00 0.00 177.57 176.51 3g49 h ARG 901 N 0.23 0.35 -0.67 1.57 2.43 -1.10 -1.12 114.38 116.08 3g49 h ARG 901 Ca 0.14 -0.47 -0.04 0.00 -0.81 0.00 0.00 59.98 58.80 3g49 h ARG 901 Cb 0.11 0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 29.79 3g49 h ARG 901 CO -0.15 1.16 0.24 -0.22 -1.51 0.00 0.00 179.97 179.49 3g49 h LYS 902 N 0.16 1.00 -0.13 0.20 3.64 -0.94 -1.41 116.57 119.09 3g49 h LYS 902 Ca -0.11 -0.18 -0.06 0.00 -1.27 0.00 0.00 60.65 59.03 3g49 h LYS 902 Cb 1.76 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 33.42 3g49 h LYS 902 CO 0.18 0.84 -0.16 0.77 -2.27 0.00 0.00 179.45 178.81 3g49 h SER 903 N 0.97 0.36 -0.55 4.20 0.02 -1.20 -1.15 113.55 116.21 3g49 h SER 903 Ca 0.22 -0.51 0.02 0.00 -0.84 0.00 0.00 61.79 60.68 3g49 h SER 903 Cb 0.23 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 62.64 3g49 h SER 903 CO -0.01 0.80 0.36 -0.03 -1.14 0.00 0.00 176.83 176.81 3g49 h MET 904 N -0.07 0.68 0.01 3.45 1.85 -0.90 -2.03 114.93 117.92 3g49 h MET 904 Ca 0.02 -0.04 -0.01 0.00 -0.61 0.00 0.00 59.70 59.05 3g49 h MET 904 Cb 0.71 -0.15 0.00 0.00 0.43 0.00 0.00 31.60 32.59 3g49 h MET 904 CO 0.04 0.45 -0.05 0.93 -0.40 0.00 0.00 176.91 177.88 3g49 h GLU 905 N 0.70 0.02 0.19 0.39 4.39 -0.92 -1.80 114.58 117.55 3g49 h GLU 905 Ca 0.21 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.87 3g49 h GLU 905 Cb -0.01 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 3g49 h GLU 905 CO -0.05 0.95 -0.09 0.28 -1.16 0.00 0.00 179.01 178.94 3g49 h VAL 906 N -0.89 0.86 0.00 3.13 2.07 -1.23 -1.90 116.25 118.29 3g49 h VAL 906 Ca -0.01 -0.22 -0.10 0.00 0.82 0.00 0.00 66.70 67.19 3g49 h VAL 906 Cb 0.97 1.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.73 3g49 h VAL 906 CO 0.01 0.05 -0.62 0.78 0.02 0.00 0.00 177.57 177.81 3g49 h ASN 907 N -0.36 0.00 0.00 0.57 -0.26 -1.48 -3.38 115.58 110.66 3g49 h ASN 907 Ca -0.03 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.71 3g49 h ASN 907 Cb 0.28 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.54 3g49 h ASN 907 CO 0.04 0.44 0.00 0.33 -1.06 0.00 0.00 177.43 177.18 3g49 n PHE 908 N -3.13 -0.09 -0.35 1.19 7.35 -0.70 -4.68 117.46 117.05 3g49 n PHE 908 Ca 0.00 0.02 0.09 0.00 -0.76 0.00 0.00 57.45 56.80 3g49 n PHE 908 Cb 0.72 0.05 0.26 0.00 0.35 0.00 0.00 39.48 40.86 3g49 n PHE 908 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 3g49 h HIS 909 N 0.00 1.06 -0.02 -5.13 3.86 -1.57 -2.67 115.15 110.68 3g49 h HIS 909 Ca 0.00 0.03 0.02 0.00 -1.16 0.00 0.00 60.37 59.27 3g49 h HIS 909 Cb 0.00 -0.33 -0.03 0.00 1.06 0.00 0.00 27.41 28.12 3g49 h HIS 909 CO 0.00 0.34 -0.11 0.66 0.86 0.00 0.00 177.93 179.68 3g49 h SER 910 N 0.86 -0.33 -1.11 2.45 4.64 -1.52 -0.98 113.55 117.56 3g49 h SER 910 Ca 0.52 0.05 0.33 0.00 -0.47 0.00 0.00 61.79 62.22 3g49 h SER 910 Cb 0.64 0.15 -0.12 0.00 -0.31 0.00 0.00 62.40 62.75 3g49 h SER 910 CO -0.32 -0.16 0.69 -0.26 -0.87 0.00 0.00 176.83 175.91 3g49 h PHE 911 N -0.18 0.72 -0.04 4.77 -1.00 -1.73 0.13 116.94 119.60 3g49 h PHE 911 Ca 0.05 0.03 -0.04 0.00 2.81 0.00 0.00 57.97 60.82 3g49 h PHE 911 Cb 0.25 -0.19 0.00 0.00 3.61 0.00 0.00 35.95 39.61 3g49 h PHE 911 CO -0.18 -0.10 -0.13 0.28 -1.61 0.00 0.00 178.31 176.58 3g49 h VAL 912 N 0.29 1.45 -0.80 -0.55 2.07 -1.20 -0.85 116.25 116.65 3g49 h VAL 912 Ca 0.71 -1.52 -0.02 0.00 0.82 0.00 0.00 66.70 66.69 3g49 h VAL 912 Cb 1.87 2.34 -0.04 0.00 -1.52 0.00 0.00 31.29 33.94 3g49 h VAL 912 CO -0.44 0.42 0.43 0.58 0.02 0.00 0.00 177.57 178.58 3g49 h VAL 913 N -0.38 1.24 -0.05 2.57 2.07 0.49 -1.38 116.25 120.81 3g49 h VAL 913 Ca -0.00 -0.59 -0.17 0.00 0.82 0.00 0.00 66.70 66.75 3g49 h VAL 913 Cb 0.74 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 3g49 h VAL 913 CO 0.03 0.27 -0.72 -0.07 0.02 0.00 0.00 177.57 177.10 3g49 h LEU 914 N 1.12 0.34 -0.33 2.57 3.38 -0.93 -1.80 115.31 119.66 3g49 h LEU 914 Ca 0.28 -0.22 -0.12 0.00 0.09 0.00 0.00 57.88 57.91 3g49 h LEU 914 Cb 0.03 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 3g49 h LEU 914 CO -0.04 0.94 -0.27 0.28 0.09 0.00 0.00 178.44 179.44 3g49 h SER 915 N 0.19 0.80 0.01 -0.43 0.02 -0.09 -0.99 113.55 113.08 3g49 h SER 915 Ca -0.02 -0.45 -0.00 0.00 -0.84 0.00 0.00 61.79 60.47 3g49 h SER 915 Cb 1.28 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 63.59 3g49 h SER 915 CO 0.11 1.09 -0.01 0.58 -1.14 0.00 0.00 176.83 177.47 3g49 h VAL 916 N 0.53 1.27 -0.88 2.27 2.07 -1.28 0.01 116.25 120.24 3g49 h VAL 916 Ca 0.06 -0.86 0.24 0.00 0.82 0.00 0.00 66.70 66.96 3g49 h VAL 916 Cb 0.84 1.85 -0.04 0.00 -1.52 0.00 0.00 31.29 32.42 3g49 h VAL 916 CO 0.07 0.22 0.62 0.00 0.02 0.00 0.00 177.57 178.50 3g49 h ALA 917 N 0.59 2.66 0.00 1.67 0.00 -1.23 -1.56 119.26 121.40 3g49 h ALA 917 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3g49 h ALA 917 Cb 0.38 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3g49 h ALA 917 CO 0.00 -0.92 -1.17 0.00 0.00 0.00 0.00 179.25 177.16 3g49 n ALA 918 N -2.66 2.63 -0.11 0.00 0.00 -0.38 -4.63 120.51 115.37 3g49 n ALA 918 Ca 0.18 -0.29 -0.09 0.00 0.00 0.00 0.00 53.44 53.25 3g49 n ALA 918 Cb 0.88 -1.04 -0.03 0.00 0.00 0.00 0.00 19.45 19.26 3g49 n ALA 918 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 3g49 h MET 919 N 0.00 -0.28 -0.72 0.00 4.05 0.06 -2.64 114.93 115.40 3g49 h MET 919 Ca 0.00 0.02 0.18 0.00 -0.28 0.00 0.00 59.70 59.62 3g49 h MET 919 Cb 0.98 0.06 -0.04 0.00 -0.80 0.00 0.00 31.60 31.80 3g49 h MET 919 CO 0.00 -0.19 0.50 -1.35 0.23 0.00 0.00 176.91 176.10 3g49 h PRO 920 N -0.29 0.18 0.01 0.39 0.11 -1.82 0.25 132.00 130.82 3g49 h PRO 920 Ca 0.15 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.25 3g49 h PRO 920 Cb 0.56 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.63 3g49 h PRO 920 CO -0.53 0.12 -0.00 0.52 -0.21 0.00 0.00 178.00 177.89 3g49 h MET 921 N 0.18 -0.01 -0.23 1.05 2.86 -1.79 -2.89 114.93 114.10 3g49 h MET 921 Ca 0.35 0.00 0.07 0.00 -2.06 0.00 0.00 59.70 58.06 3g49 h MET 921 Cb 1.11 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.77 3g49 h MET 921 CO -0.06 0.83 0.18 -0.07 1.06 0.00 0.00 176.91 178.84 3g49 h LEU 922 N -0.96 0.00 -0.19 1.22 3.38 -1.28 -0.93 115.31 116.54 3g49 h LEU 922 Ca -0.00 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 3g49 h LEU 922 Cb 0.84 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.58 3g49 h LEU 922 CO 0.00 0.00 -0.17 0.24 0.09 0.00 0.00 178.44 178.60 3g49 h MET 923 N 0.00 0.46 -0.36 1.13 2.86 -0.52 -0.50 114.93 118.00 3g49 h MET 923 Ca 0.11 -0.24 0.10 0.00 -2.06 0.00 0.00 59.70 57.61 3g49 h MET 923 Cb 0.46 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.11 3g49 h MET 923 CO -0.00 0.80 0.25 1.96 1.06 0.00 0.00 176.91 180.98 3g49 h GLN 924 N 0.13 0.04 0.00 1.72 4.20 -1.01 -2.84 115.11 117.35 3g49 h GLN 924 Ca 0.03 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.74 3g49 h GLN 924 Cb 0.71 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.48 3g49 h GLN 924 CO 0.04 0.03 -1.55 0.45 -0.67 0.00 0.00 178.83 177.13 3g49 n SER 925 N -4.44 0.97 -3.70 1.46 2.88 -0.47 -4.97 113.62 105.35 3g49 n SER 925 Ca 0.05 -0.22 -0.25 0.00 -1.33 0.00 0.00 58.87 57.12 3g49 n SER 925 Cb 0.41 1.60 0.06 0.00 -0.75 0.00 0.00 64.21 65.52 3g49 n SER 925 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3g49 n GLN 926 N -1.93 -6.55 0.00 -1.46 6.02 -0.22 -4.99 117.38 108.25 3g49 n GLN 926 Ca -0.02 0.72 0.00 0.00 -0.01 0.00 0.00 57.00 57.70 3g49 n GLN 926 Cb 0.41 -5.65 0.00 0.00 1.02 0.00 0.00 30.24 26.01 3g49 n GLN 926 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3g49 n GLY 927 N -1.73 1.61 3.33 1.08 0.00 -1.08 -4.79 105.19 103.61 3g49 n GLY 927 Ca -0.06 -1.77 -0.09 0.00 0.00 0.00 0.00 46.02 44.09 3g49 n GLY 927 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3g49 s SER 928 N -1.00 -0.02 -0.04 1.61 0.01 -0.75 -2.30 113.70 111.22 3g49 s SER 928 Ca 0.00 -0.69 -0.01 0.00 1.31 0.00 0.00 55.95 56.56 3g49 s SER 928 Cb 0.00 0.44 0.03 0.00 0.21 0.00 0.00 66.02 66.70 3g49 s SER 928 CO 0.00 -0.87 0.07 -0.63 0.41 0.00 0.00 173.24 172.22 3g49 s ILE 929 N -3.91 -0.06 -0.18 1.44 1.01 0.45 -1.64 121.20 118.30 3g49 s ILE 929 Ca 0.11 0.22 -0.06 0.00 0.00 0.00 0.00 60.65 60.93 3g49 s ILE 929 Cb 0.03 -0.14 -0.03 0.00 0.01 0.00 0.00 42.46 42.33 3g49 s ILE 929 CO -0.05 0.09 0.01 0.00 0.00 0.00 0.00 174.94 175.00 3g49 s ALA 930 N 1.20 3.16 -0.20 9.38 0.00 -0.34 -0.79 121.76 134.16 3g49 s ALA 930 Ca -0.08 -0.85 -0.02 0.00 0.00 0.00 0.00 51.96 51.01 3g49 s ALA 930 Cb -0.12 -1.77 0.00 0.00 0.00 0.00 0.00 23.12 21.23 3g49 s ALA 930 CO -0.04 0.07 -0.11 0.08 0.00 0.00 0.00 175.76 175.77 3g49 s VAL 931 N 0.59 2.82 -0.20 0.00 1.01 0.15 -0.54 120.40 124.23 3g49 s VAL 931 Ca 0.00 -0.68 -0.10 0.00 0.00 0.00 0.00 61.98 61.20 3g49 s VAL 931 Cb -0.14 -2.25 -0.05 0.00 0.00 0.00 0.00 36.38 33.94 3g49 s VAL 931 CO 0.02 0.47 0.13 -0.69 0.00 0.00 0.00 175.10 175.03 3g49 s VAL 932 N 1.40 5.41 0.00 2.92 1.01 -0.67 -1.03 120.40 129.44 3g49 s VAL 932 Ca 0.05 0.19 0.00 0.00 0.00 0.00 0.00 61.98 62.23 3g49 s VAL 932 Cb -0.14 -3.47 0.00 0.00 0.00 0.00 0.00 36.38 32.77 3g49 s VAL 932 CO -0.07 0.43 0.00 -0.24 0.00 0.00 0.00 175.10 175.22 3g49 n SER 933 N 3.56 0.00 -3.57 3.32 2.88 0.37 -4.89 113.62 115.29 3g49 n SER 933 Ca -0.16 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.33 3g49 n SER 933 Cb 0.52 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.96 3g49 n SER 933 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 3g49 s SER 934 N 1.00 -0.20 0.33 -3.46 1.04 -1.24 -3.25 113.70 107.92 3g49 s SER 934 Ca 0.00 0.02 0.10 0.00 0.48 0.00 0.00 55.95 56.54 3g49 s SER 934 Cb 0.00 0.20 0.86 0.00 0.10 0.00 0.00 66.02 67.19 3g49 s SER 934 CO 0.00 -0.32 1.76 0.58 0.98 0.00 0.00 173.24 176.24 3g49 h VAL 935 N 2.02 0.61 -0.03 5.02 2.07 -1.45 0.22 116.25 124.72 3g49 h VAL 935 Ca -0.12 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.18 3g49 h VAL 935 Cb 1.18 -0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.89 3g49 h VAL 935 CO 0.25 0.11 0.00 0.00 0.02 0.00 0.00 177.57 177.95 3g49 n ALA 936 N -2.35 2.60 1.00 1.67 0.00 -1.25 -1.19 120.51 120.98 3g49 n ALA 936 Ca 0.25 -0.39 0.06 0.00 0.00 0.00 0.00 53.44 53.36 3g49 n ALA 936 Cb 0.69 -1.24 0.16 0.00 0.00 0.00 0.00 19.45 19.06 3g49 n ALA 936 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3g49 n GLY 937 N 1.12 0.48 0.00 0.00 0.00 0.79 -4.42 105.19 103.16 3g49 n GLY 937 Ca 0.20 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.86 3g49 n GLY 937 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3g49 n LYS 938 N 0.43 1.34 -3.72 1.61 4.76 -0.33 -4.32 118.16 117.93 3g49 n LYS 938 Ca 0.11 0.00 -0.16 0.00 -2.87 0.00 0.00 58.31 55.39 3g49 n LYS 938 Cb 0.27 -0.70 -0.06 0.00 -1.84 0.00 0.00 35.03 32.71 3g49 n LYS 938 CO 0.00 0.00 0.00 0.44 -1.37 0.00 0.00 177.40 176.47 3g49 n ILE 939 N -1.22 0.00 -4.24 -0.18 -5.35 -0.34 -5.08 119.36 102.96 3g49 n ILE 939 Ca 0.00 -1.80 -0.25 0.00 -0.27 0.00 0.00 62.75 60.43 3g49 n ILE 939 Cb 0.20 0.79 -0.07 0.00 -1.74 0.00 0.00 39.64 38.81 3g49 n ILE 939 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 3g49 s THR 940 N -2.87 3.63 0.01 7.28 -4.23 -1.26 -3.93 115.64 114.27 3g49 s THR 940 Ca 0.24 -1.61 0.05 0.00 -1.18 0.00 0.00 61.69 59.19 3g49 s THR 940 Cb 0.01 -2.87 -0.02 0.00 1.34 0.00 0.00 72.50 70.96 3g49 s THR 940 CO 0.17 -0.22 -0.16 -0.31 -0.54 0.00 0.00 174.62 173.56 3g49 s TYR 941 N -1.95 1.45 0.81 3.99 1.51 -1.26 -5.02 117.35 116.88 3g49 s TYR 941 Ca 0.29 -0.32 -0.13 0.00 -1.01 0.00 0.00 57.07 55.90 3g49 s TYR 941 Cb -0.08 -0.90 0.08 0.00 -0.11 0.00 0.00 41.96 40.95 3g49 s TYR 941 CO 0.19 0.02 1.14 -2.30 -1.11 0.00 0.00 175.55 173.49 3g49 n PRO 942 N 2.28 0.14 -0.06 -1.71 -0.02 -1.26 -3.74 135.00 130.63 3g49 n PRO 942 Ca -0.16 0.12 0.00 0.00 -2.02 0.00 0.00 63.50 61.44 3g49 n PRO 942 Cb 0.54 -2.39 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 3g49 n PRO 942 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3g49 n LEU 943 N -3.10 0.00 -2.59 2.45 4.77 -1.26 -4.93 117.00 112.34 3g49 n LEU 943 Ca 0.13 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 56.03 3g49 n LEU 943 Cb 0.51 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.63 3g49 n LEU 943 CO 0.48 0.00 0.04 2.30 -1.33 0.00 0.00 177.39 178.88 3g49 n ILE 944 N -2.00 1.62 -0.23 -0.08 -5.35 -1.25 -1.78 119.36 110.29 3g49 n ILE 944 Ca 0.00 -3.36 -0.04 0.00 -0.27 0.00 0.00 62.75 59.08 3g49 n ILE 944 Cb 0.00 0.49 0.07 0.00 -1.74 0.00 0.00 39.64 38.46 3g49 n ILE 944 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3g49 h ALA 945 N 2.54 0.85 -0.63 -1.28 0.00 -1.88 -1.03 119.26 117.83 3g49 h ALA 945 Ca 0.02 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.95 3g49 h ALA 945 Cb 1.31 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 18.85 3g49 h ALA 945 CO 0.39 0.16 0.36 -1.35 0.00 0.00 0.00 179.25 178.82 3g49 h PRO 946 N 0.80 0.67 0.41 0.00 0.11 -1.95 0.30 132.00 132.33 3g49 h PRO 946 Ca 0.26 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.31 3g49 h PRO 946 Cb 0.02 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 30.98 3g49 h PRO 946 CO -0.10 0.44 -0.19 -0.92 -0.21 0.00 0.00 178.00 177.01 3g49 h TYR 947 N 0.69 -0.50 -0.60 0.65 5.03 -1.71 -2.77 116.97 117.76 3g49 h TYR 947 Ca 0.27 -0.01 0.12 0.00 2.58 0.00 0.00 58.73 61.69 3g49 h TYR 947 Cb 0.12 0.17 -0.11 0.00 1.55 0.00 0.00 36.73 38.46 3g49 h TYR 947 CO -0.07 -0.18 -0.12 1.03 -1.32 0.00 0.00 178.16 177.50 3g49 h SER 948 N -0.94 -0.50 -0.82 -2.11 0.87 -1.22 -1.41 113.55 107.42 3g49 h SER 948 Ca -0.06 0.17 0.13 0.00 -1.23 0.00 0.00 61.79 60.81 3g49 h SER 948 Cb 0.55 0.35 -0.14 0.00 -0.44 0.00 0.00 62.40 62.72 3g49 h SER 948 CO 0.09 -0.18 -0.37 0.00 -0.53 0.00 0.00 176.83 175.84 3g49 h ALA 949 N 1.59 0.07 0.00 6.23 0.00 -0.38 -0.09 119.26 126.68 3g49 h ALA 949 Ca 0.29 0.23 -0.06 0.00 0.00 0.00 0.00 54.91 55.37 3g49 h ALA 949 Cb 0.46 0.92 -0.01 0.00 0.00 0.00 0.00 17.79 19.15 3g49 h ALA 949 CO -0.60 -0.65 -0.29 0.66 0.00 0.00 0.00 179.25 178.37 3g49 h SER 950 N -0.07 0.00 0.82 0.00 4.64 -0.99 -0.50 113.55 117.45 3g49 h SER 950 Ca 0.30 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.45 3g49 h SER 950 Cb 0.58 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.64 3g49 h SER 950 CO -0.86 0.29 -1.28 0.11 -0.87 0.00 0.00 176.83 174.22 3g49 h LYS 951 N 0.00 0.00 -0.09 4.77 1.79 -0.79 -2.76 116.57 119.50 3g49 h LYS 951 Ca -0.00 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.43 3g49 h LYS 951 Cb 0.97 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.62 3g49 h LYS 951 CO 0.04 0.35 -0.08 0.74 -1.08 0.00 0.00 179.45 179.42 3g49 h PHE 952 N 0.00 0.25 -0.83 -1.35 -1.00 -0.71 -3.07 116.94 110.23 3g49 h PHE 952 Ca -0.14 -0.07 0.18 0.00 2.81 0.00 0.00 57.97 60.75 3g49 h PHE 952 Cb 1.58 -0.05 -0.11 0.00 3.61 0.00 0.00 35.95 40.98 3g49 h PHE 952 CO 0.00 0.62 0.34 0.00 -1.61 0.00 0.00 178.31 177.66 3g49 h ALA 953 N 0.59 1.24 -0.36 2.45 0.00 -1.14 -2.65 119.26 119.38 3g49 h ALA 953 Ca 0.02 0.14 0.07 0.00 0.00 0.00 0.00 54.91 55.14 3g49 h ALA 953 Cb 0.58 0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.43 3g49 h ALA 953 CO 0.02 -0.27 -0.05 -0.07 0.00 0.00 0.00 179.25 178.88 3g49 h LEU 954 N 0.42 -0.25 -0.60 0.00 3.38 -1.38 -0.98 115.31 115.90 3g49 h LEU 954 Ca 0.49 0.10 0.08 0.00 0.09 0.00 0.00 57.88 58.64 3g49 h LEU 954 Cb 0.84 0.19 -0.07 0.00 0.09 0.00 0.00 40.66 41.72 3g49 h LEU 954 CO -0.48 -0.08 0.25 -0.78 0.09 0.00 0.00 178.44 177.44 3g49 h ASP 955 N 0.05 0.29 0.90 -0.43 1.82 -1.51 0.40 116.42 117.93 3g49 h ASP 955 Ca 0.18 0.06 -0.04 0.00 -0.39 0.00 0.00 57.03 56.84 3g49 h ASP 955 Cb 0.26 0.03 0.01 0.00 0.68 0.00 0.00 39.33 40.31 3g49 h ASP 955 CO -0.34 0.18 -0.43 1.23 -1.61 0.00 0.00 179.24 178.26 3g49 h GLY 956 N 0.45 -1.27 0.91 -0.78 0.00 -1.20 0.71 103.07 101.90 3g49 h GLY 956 Ca 0.29 0.47 -0.01 0.00 0.00 0.00 0.00 47.33 48.08 3g49 h GLY 956 CO -0.27 -0.46 -0.09 -2.75 0.00 0.00 0.00 176.54 172.97 3g49 h PHE 957 N -1.24 -0.23 0.00 5.60 3.57 -1.07 -3.18 116.94 120.40 3g49 h PHE 957 Ca -0.12 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.34 3g49 h PHE 957 Cb 0.93 0.08 -0.00 0.00 2.79 0.00 0.00 35.95 39.75 3g49 h PHE 957 CO -0.01 -0.07 -0.13 0.74 -2.23 0.00 0.00 178.31 176.61 3g49 h PHE 958 N -0.34 0.00 0.08 0.41 0.04 -0.03 -0.86 116.94 116.23 3g49 h PHE 958 Ca -0.03 0.00 -0.27 0.00 2.80 0.00 0.00 57.97 60.48 3g49 h PHE 958 Cb 0.27 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.43 3g49 h PHE 958 CO -0.04 0.13 -1.13 0.77 -0.60 0.00 0.00 178.31 177.44 3g49 h SER 959 N 0.00 0.66 0.27 2.17 0.02 0.34 -2.12 113.55 114.89 3g49 h SER 959 Ca -0.00 -0.59 -0.00 0.00 -0.84 0.00 0.00 61.79 60.35 3g49 h SER 959 Cb 1.04 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 63.36 3g49 h SER 959 CO 0.02 1.42 -0.23 0.74 -1.14 0.00 0.00 176.83 177.64 3g49 h THR 960 N 0.22 0.52 -0.32 -2.27 2.02 -1.53 -0.50 112.91 111.05 3g49 h THR 960 Ca -0.14 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.11 3g49 h THR 960 Cb 1.80 0.52 -0.08 0.00 -1.74 0.00 0.00 68.15 68.65 3g49 h THR 960 CO 0.20 0.00 -0.30 0.25 0.37 0.00 0.00 175.52 176.04 3g49 h LEU 961 N -0.51 -0.98 -1.18 2.58 5.85 -1.19 -0.25 115.31 119.62 3g49 h LEU 961 Ca -0.02 0.17 0.10 0.00 0.84 0.00 0.00 57.88 58.98 3g49 h LEU 961 Cb 0.46 0.46 -0.07 0.00 0.37 0.00 0.00 40.66 41.88 3g49 h LEU 961 CO -0.02 -0.31 0.58 -0.09 -0.34 0.00 0.00 178.44 178.26 3g49 h ARG 962 N -0.27 0.86 0.00 1.25 2.43 -0.72 0.10 114.38 118.03 3g49 h ARG 962 Ca 0.15 -0.05 -0.19 0.00 -0.81 0.00 0.00 59.98 59.08 3g49 h ARG 962 Cb 0.52 -0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 29.85 3g49 h ARG 962 CO -0.47 0.57 -0.89 0.66 -1.51 0.00 0.00 179.97 178.32 3g49 h SER 963 N 0.89 0.00 -0.76 -3.80 4.64 -0.07 -1.08 113.55 113.36 3g49 h SER 963 Ca 0.43 0.00 0.10 0.00 -0.47 0.00 0.00 61.79 61.84 3g49 h SER 963 Cb 0.44 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.48 3g49 h SER 963 CO -0.19 0.89 0.50 -0.33 -0.87 0.00 0.00 176.83 176.84 3g49 h GLU 964 N 0.00 0.65 -0.05 4.77 5.08 0.70 -2.15 114.58 123.58 3g49 h GLU 964 Ca -0.01 -0.04 -0.19 0.00 -1.00 0.00 0.00 59.36 58.12 3g49 h GLU 964 Cb 1.59 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 30.69 3g49 h GLU 964 CO 0.12 0.43 -0.80 0.74 -1.00 0.00 0.00 179.01 178.49 3g49 h PHE 965 N 0.66 0.51 -0.18 4.33 0.04 -0.41 -2.15 116.94 119.74 3g49 h PHE 965 Ca 0.35 -0.25 -0.01 0.00 2.80 0.00 0.00 57.97 60.87 3g49 h PHE 965 Cb 0.49 -0.07 -0.01 0.00 2.20 0.00 0.00 35.95 38.56 3g49 h PHE 965 CO -0.00 1.02 0.09 -0.07 -0.60 0.00 0.00 178.31 178.75 3g49 h LEU 966 N 0.23 0.23 -0.93 1.54 -0.00 -0.92 -0.98 115.31 114.49 3g49 h LEU 966 Ca -0.04 -0.11 -0.02 0.00 -0.00 0.00 0.00 57.88 57.70 3g49 h LEU 966 Cb 1.39 -0.06 -0.04 0.00 -0.00 0.00 0.00 40.66 41.95 3g49 h LEU 966 CO 0.13 0.28 0.44 0.58 -0.00 0.00 0.00 178.44 179.88 3g49 h VAL 967 N 0.17 1.25 -0.38 1.22 2.07 -1.33 -2.93 116.25 116.32 3g49 h VAL 967 Ca 0.06 -0.67 0.00 0.00 0.82 0.00 0.00 66.70 66.92 3g49 h VAL 967 Cb 0.11 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.01 3g49 h VAL 967 CO -0.01 0.29 0.00 0.59 0.02 0.00 0.00 177.57 178.47 3g49 n ASN 968 N -4.32 2.15 -2.61 0.57 3.02 -0.82 -4.91 115.26 108.35 3g49 n ASN 968 Ca 0.09 -1.97 -0.13 0.00 -0.03 0.00 0.00 54.58 52.54 3g49 n ASN 968 Cb 0.12 -0.25 -0.00 0.00 -0.61 0.00 0.00 39.78 39.03 3g49 n ASN 968 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3g49 n LYS 969 N 0.67 -2.54 -2.34 3.52 5.02 -0.68 -4.95 118.16 116.86 3g49 n LYS 969 Ca 0.14 0.51 -0.43 0.00 -2.02 0.00 0.00 58.31 56.51 3g49 n LYS 969 Cb 0.35 -5.12 -0.02 0.00 -0.02 0.00 0.00 35.03 30.21 3g49 n LYS 969 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3g49 s VAL 970 N -2.60 4.08 -1.07 -0.18 1.01 -0.46 -5.00 120.40 116.18 3g49 s VAL 970 Ca 0.07 1.27 -0.02 0.00 0.00 0.00 0.00 61.98 63.30 3g49 s VAL 970 Cb -0.04 -3.96 0.30 0.00 0.00 0.00 0.00 36.38 32.69 3g49 s VAL 970 CO 0.09 -0.26 1.76 0.59 0.00 0.00 0.00 175.10 177.27 3g49 n ASN 971 N 7.26 7.08 -4.10 3.32 3.02 -1.26 -4.62 115.26 125.96 3g49 n ASN 971 Ca 0.15 -3.57 -0.33 0.00 -0.03 0.00 0.00 54.58 50.81 3g49 n ASN 971 Cb 0.45 -1.22 -0.16 0.00 -0.61 0.00 0.00 39.78 38.25 3g49 n ASN 971 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3g49 s VAL 972 N -3.62 2.02 0.31 2.41 1.01 -1.26 -3.98 120.40 117.29 3g49 s VAL 972 Ca 0.37 -1.02 0.02 0.00 0.00 0.00 0.00 61.98 61.35 3g49 s VAL 972 Cb 0.15 -1.89 -0.03 0.00 0.00 0.00 0.00 36.38 34.61 3g49 s VAL 972 CO -0.05 0.43 0.48 -0.94 0.00 0.00 0.00 175.10 175.02 3g49 s SER 973 N 1.28 6.29 -0.25 3.32 1.04 -0.97 -4.96 113.70 119.45 3g49 s SER 973 Ca 0.03 0.30 -0.02 0.00 0.48 0.00 0.00 55.95 56.74 3g49 s SER 973 Cb -0.14 -1.95 0.12 0.00 0.10 0.00 0.00 66.02 64.15 3g49 s SER 973 CO -0.11 -0.22 0.29 -0.63 0.98 0.00 0.00 173.24 173.54 3g49 s ILE 974 N -2.20 -0.42 -0.34 -1.02 1.01 -1.25 -0.41 121.20 116.58 3g49 s ILE 974 Ca 0.38 -0.28 -0.07 0.00 0.00 0.00 0.00 60.65 60.67 3g49 s ILE 974 Cb -0.09 -0.85 0.03 0.00 0.01 0.00 0.00 42.46 41.56 3g49 s ILE 974 CO 0.33 -0.31 0.12 -0.89 0.00 0.00 0.00 174.94 174.19 3g49 s THR 975 N 2.39 3.99 -0.38 2.92 2.01 0.03 -4.54 115.64 122.07 3g49 s THR 975 Ca 0.09 -0.96 -0.29 0.00 0.31 0.00 0.00 61.69 60.84 3g49 s THR 975 Cb -0.15 -3.20 0.02 0.00 0.01 0.00 0.00 72.50 69.18 3g49 s THR 975 CO -0.23 -0.13 1.07 -0.22 -0.69 0.00 0.00 174.62 174.43 3g49 s LEU 976 N 1.46 3.85 -0.21 4.42 0.20 -1.04 0.31 118.68 127.68 3g49 s LEU 976 Ca 0.00 0.80 -0.10 0.00 0.69 0.00 0.00 54.13 55.52 3g49 s LEU 976 Cb -0.19 -3.50 -0.05 0.00 -0.43 0.00 0.00 46.19 42.02 3g49 s LEU 976 CO 0.04 -0.99 0.14 0.00 -0.29 0.00 0.00 176.35 175.25 3g49 s ILE 978 N 0.54 3.56 -0.05 0.00 -1.09 0.12 0.14 121.20 124.42 3g49 s ILE 978 Ca 0.08 -0.43 0.03 0.00 -2.23 0.00 0.00 60.65 58.10 3g49 s ILE 978 Cb -0.12 -2.62 -0.03 0.00 -1.58 0.00 0.00 42.46 38.11 3g49 s ILE 978 CO -0.00 0.42 -0.12 -0.76 -1.23 0.00 0.00 174.94 173.25 3g49 s LEU 979 N 1.38 2.89 0.00 2.97 1.43 -1.20 -0.12 118.68 126.03 3g49 s LEU 979 Ca 0.05 -0.15 0.00 0.00 -1.03 0.00 0.00 54.13 52.99 3g49 s LEU 979 Cb -0.14 -1.61 0.00 0.00 0.03 0.00 0.00 46.19 44.46 3g49 s LEU 979 CO -0.01 0.34 0.00 0.61 0.23 0.00 0.00 176.35 177.52 3g49 n GLY 980 N 2.18 0.29 3.78 -3.19 0.00 -0.83 -1.13 105.19 106.28 3g49 n GLY 980 Ca -0.17 -1.75 -0.41 0.00 0.00 0.00 0.00 46.02 43.69 3g49 n GLY 980 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3g49 s LEU 981 N 0.00 4.34 -0.02 0.99 2.96 -1.26 -4.91 118.68 120.78 3g49 s LEU 981 Ca 0.00 2.96 0.01 0.00 -0.22 0.00 0.00 54.13 56.88 3g49 s LEU 981 Cb 0.00 -3.66 0.01 0.00 0.50 0.00 0.00 46.19 43.04 3g49 s LEU 981 CO 0.00 -0.80 -0.03 -0.63 -1.32 0.00 0.00 176.35 173.58 3g49 s ILE 982 N -1.07 0.29 0.00 6.68 -1.09 -1.26 -1.22 121.20 123.52 3g49 s ILE 982 Ca 0.52 -0.07 -0.01 0.00 -2.23 0.00 0.00 60.65 58.86 3g49 s ILE 982 Cb -0.45 -0.30 -0.04 0.00 -1.58 0.00 0.00 42.46 40.09 3g49 s ILE 982 CO 0.60 0.12 1.12 -0.90 -1.23 0.00 0.00 174.94 174.65 3g49 n ASP 983 N 3.52 2.07 -4.75 3.58 5.68 -0.25 -4.51 116.55 121.89 3g49 n ASP 983 Ca -0.19 -1.67 -0.40 0.00 -0.50 0.00 0.00 54.79 52.02 3g49 n ASP 983 Cb 0.55 -0.48 -0.04 0.00 -1.14 0.00 0.00 41.12 40.00 3g49 n ASP 983 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 3g49 s THR 984 N 1.58 3.66 0.03 2.12 -4.23 -1.26 -4.85 115.64 112.70 3g49 s THR 984 Ca 0.09 1.61 -0.04 0.00 -1.18 0.00 0.00 61.69 62.18 3g49 s THR 984 Cb 0.05 -4.02 0.02 0.00 1.34 0.00 0.00 72.50 69.88 3g49 s THR 984 CO 0.00 0.36 0.25 -0.62 -0.54 0.00 0.00 174.62 174.06 3g49 n GLU 985 N 1.55 -0.05 0.04 3.99 1.02 -1.26 -0.81 120.64 125.13 3g49 n GLU 985 Ca -0.00 0.24 -0.20 0.00 -0.02 0.00 0.00 57.16 57.18 3g49 n GLU 985 Cb 0.45 -0.36 -0.10 0.00 -0.02 0.00 0.00 31.44 31.41 3g49 n GLU 985 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3g49 h THR 986 N 0.00 1.28 -0.37 2.62 1.03 -1.94 -2.75 112.91 112.79 3g49 h THR 986 Ca 0.04 -2.26 -0.01 0.00 -0.01 0.00 0.00 66.41 64.17 3g49 h THR 986 Cb 0.08 2.39 -0.02 0.00 -1.07 0.00 0.00 68.15 69.54 3g49 h THR 986 CO -0.15 0.70 0.20 0.00 -0.01 0.00 0.00 175.52 176.25 3g49 h ALA 987 N 0.42 0.47 -0.67 0.00 0.00 -1.69 -1.45 119.26 116.33 3g49 h ALA 987 Ca -0.13 -0.08 0.12 0.00 0.00 0.00 0.00 54.91 54.81 3g49 h ALA 987 Cb 1.70 -0.15 -0.08 0.00 0.00 0.00 0.00 17.79 19.26 3g49 h ALA 987 CO 0.20 0.00 0.25 0.82 0.00 0.00 0.00 179.25 180.52 3g49 h ILE 988 N 0.46 0.71 -0.01 0.00 2.04 -0.92 -2.31 117.51 117.48 3g49 h ILE 988 Ca 0.13 -0.14 -0.16 0.00 1.00 0.00 0.00 64.86 65.69 3g49 h ILE 988 Cb 0.07 0.26 0.01 0.00 -0.74 0.00 0.00 36.82 36.42 3g49 h ILE 988 CO -0.02 0.07 -0.63 0.11 0.00 0.00 0.00 178.15 177.69 3g49 h LYS 989 N 0.41 0.44 -0.25 2.37 1.57 -1.29 -2.28 116.57 117.53 3g49 h LYS 989 Ca 0.35 -0.46 0.07 0.00 -1.87 0.00 0.00 60.65 58.74 3g49 h LYS 989 Cb 0.49 0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.92 3g49 h LYS 989 CO -0.36 1.12 0.28 0.00 -0.57 0.00 0.00 179.45 179.92 3g49 h ALA 990 N 0.33 1.89 -0.00 3.86 0.00 -0.95 -2.44 119.26 121.96 3g49 h ALA 990 Ca -0.08 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3g49 h ALA 990 Cb 1.33 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.14 3g49 h ALA 990 CO 0.12 -0.41 -0.40 0.25 0.00 0.00 0.00 179.25 178.81 3g49 n THR 991 N -3.75 0.00 -1.63 0.00 -2.24 -0.90 -4.60 114.28 101.16 3g49 n THR 991 Ca 0.03 -0.30 -0.43 0.00 -2.27 0.00 0.00 64.05 61.09 3g49 n THR 991 Cb 0.42 1.05 -0.03 0.00 -2.10 0.00 0.00 70.33 69.67 3g49 n THR 991 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3g49 n SER 992 N -0.84 3.74 0.00 3.42 2.88 -0.86 -0.72 113.62 121.24 3g49 n SER 992 Ca 0.03 0.60 0.00 0.00 -1.33 0.00 0.00 58.87 58.17 3g49 n SER 992 Cb 0.20 -1.53 0.00 0.00 -0.75 0.00 0.00 64.21 62.13 3g49 n SER 992 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3g49 n GLY 993 N 5.09 1.65 1.18 0.46 0.00 -1.26 -4.85 105.19 107.46 3g49 n GLY 993 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.27 3g49 n GLY 993 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3g49 n ILE 994 N -1.24 0.25 -4.42 -0.61 2.08 0.10 -5.03 119.36 110.49 3g49 n ILE 994 Ca 0.00 0.08 -0.34 0.00 0.56 0.00 0.00 62.75 63.06 3g49 n ILE 994 Cb 0.00 -0.97 -0.13 0.00 -0.75 0.00 0.00 39.64 37.79 3g49 n ILE 994 CO 0.00 0.00 0.00 -0.47 0.56 0.00 0.00 176.55 176.64 3g49 s TYR 995 N -1.24 2.98 -1.54 1.39 6.14 -0.47 -5.04 117.35 119.57 3g49 s TYR 995 Ca 0.00 -0.43 0.15 0.00 0.64 0.00 0.00 57.07 57.43 3g49 s TYR 995 Cb 0.00 -1.96 0.30 0.00 0.42 0.00 0.00 41.96 40.73 3g49 s TYR 995 CO 0.00 -0.13 1.21 1.28 0.64 0.00 0.00 175.55 178.55 3g49 n LEU 996 N 3.68 2.88 -4.50 6.97 4.77 -1.26 -4.64 117.00 124.91 3g49 n LEU 996 Ca -0.18 -1.60 -0.30 0.00 -0.03 0.00 0.00 56.01 53.91 3g49 n LEU 996 Cb 0.52 -0.19 0.25 0.00 -2.33 0.00 0.00 43.42 41.67 3g49 n LEU 996 CO 0.32 0.66 0.54 -0.83 -1.33 0.00 0.00 177.39 176.75 3g49 s GLY 997 N -1.11 1.52 0.57 -0.72 0.00 -1.26 -5.02 107.32 101.29 3g49 s GLY 997 Ca 0.26 -0.67 -0.15 0.00 0.00 0.00 0.00 44.72 44.16 3g49 s GLY 997 CO 0.21 0.18 1.02 2.56 0.00 0.00 0.00 173.10 177.07 3g49 s PRO 998 N -5.06 3.62 0.20 2.90 0.04 -1.26 -5.09 135.00 130.35 3g49 s PRO 998 Ca 0.69 1.01 0.06 0.00 0.04 0.00 0.00 61.00 62.79 3g49 s PRO 998 Cb -0.15 -2.08 -0.04 0.00 0.04 0.00 0.00 34.50 32.27 3g49 s PRO 998 CO 0.59 -0.55 0.19 0.00 0.04 0.00 0.00 177.00 177.26 3g49 s ALA 999 N -2.68 3.64 0.18 8.56 0.00 -1.26 -4.60 121.76 125.59 3g49 s ALA 999 Ca 0.60 -1.27 0.07 0.00 0.00 0.00 0.00 51.96 51.35 3g49 s ALA 999 Cb -0.12 -1.41 -0.04 0.00 0.00 0.00 0.00 23.12 21.55 3g49 s ALA 999 CO 0.38 0.40 0.03 -1.12 0.00 0.00 0.00 175.76 175.45 3g49 s SER 1000N -3.44 4.94 -0.05 0.00 0.01 -0.36 -4.85 113.70 109.94 3g49 s SER 1000Ca 0.32 -0.34 -0.30 0.00 1.31 0.00 0.00 55.95 56.94 3g49 s SER 1000Cb -0.09 -1.11 -0.03 0.00 0.21 0.00 0.00 66.02 65.00 3g49 s SER 1000CO 0.25 0.08 1.09 -2.16 0.41 0.00 0.00 173.24 172.91 3g49 s PRO 1001N -3.01 4.42 0.46 12.44 0.04 -1.26 -1.09 135.00 147.01 3g49 s PRO 1001Ca 0.28 1.54 0.16 0.00 0.04 0.00 0.00 61.00 63.02 3g49 s PRO 1001Cb -0.09 -3.51 1.07 0.00 0.04 0.00 0.00 34.50 32.01 3g49 s PRO 1001CO 0.20 -0.31 2.01 1.57 0.04 0.00 0.00 177.00 180.51 3g49 h LYS 1002N 7.14 0.00 -0.30 4.56 2.10 -1.93 -2.21 116.57 125.93 3g49 h LYS 1002Ca -0.35 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.25 3g49 h LYS 1002Cb 1.17 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.49 3g49 h LYS 1002CO 0.84 0.17 -0.01 1.49 -2.00 0.00 0.00 179.45 179.94 3g49 h GLU 1003N 0.00 0.53 -0.49 0.07 4.81 -1.95 0.38 114.58 117.93 3g49 h GLU 1003Ca -0.00 -0.17 -0.05 0.00 -0.13 0.00 0.00 59.36 59.00 3g49 h GLU 1003Cb 0.31 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.63 3g49 h GLU 1003CO 0.02 0.68 0.10 1.49 -0.73 0.00 0.00 179.01 180.58 3g49 h GLU 1004N 0.32 0.80 -0.47 1.92 4.81 -1.84 -2.09 114.58 118.04 3g49 h GLU 1004Ca 0.08 -0.20 -0.01 0.00 -0.13 0.00 0.00 59.36 59.10 3g49 h GLU 1004Cb 0.45 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.71 3g49 h GLU 1004CO 0.02 0.79 0.26 0.00 -0.73 0.00 0.00 179.01 179.35 3g49 h ALA 1006N 1.11 1.23 -0.11 0.00 0.00 -0.08 -2.40 119.26 119.02 3g49 h ALA 1006Ca 0.17 -0.11 -0.13 0.00 0.00 0.00 0.00 54.91 54.83 3g49 h ALA 1006Cb 0.03 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 3g49 h ALA 1006CO -0.03 0.64 -0.51 1.25 0.00 0.00 0.00 179.25 180.61 3g49 h LEU 1007N 1.25 0.32 -0.21 0.00 5.85 -0.60 -3.08 115.31 118.84 3g49 h LEU 1007Ca 0.32 -0.16 -0.17 0.00 0.84 0.00 0.00 57.88 58.71 3g49 h LEU 1007Cb -0.03 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 40.91 3g49 h LEU 1007CO -0.06 0.78 -0.52 -0.33 -0.34 0.00 0.00 178.44 177.97 3g49 h GLU 1008N 0.23 0.72 -0.26 1.25 4.39 -0.37 -1.71 114.58 118.83 3g49 h GLU 1008Ca 0.01 -0.50 0.06 0.00 0.34 0.00 0.00 59.36 59.27 3g49 h GLU 1008Cb 0.98 0.08 -0.08 0.00 -0.10 0.00 0.00 28.75 29.63 3g49 h GLU 1008CO 0.08 1.12 -0.38 0.82 -1.16 0.00 0.00 179.01 179.50 3g49 h ILE 1009N 0.44 0.19 0.93 3.13 2.04 -1.48 0.44 117.51 123.20 3g49 h ILE 1009Ca -0.01 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.81 3g49 h ILE 1009Cb 1.14 0.19 0.01 0.00 -0.74 0.00 0.00 36.82 37.42 3g49 h ILE 1009CO 0.11 0.00 -0.45 0.40 0.00 0.00 0.00 178.15 178.22 3g49 h ILE 1010N -0.37 0.05 -0.92 -0.67 2.04 -1.41 -0.71 117.51 115.52 3g49 h ILE 1010Ca 0.12 -0.05 0.22 0.00 1.00 0.00 0.00 64.86 66.16 3g49 h ILE 1010Cb 0.58 0.05 -0.17 0.00 -0.74 0.00 0.00 36.82 36.53 3g49 h ILE 1010CO -0.46 0.00 -0.09 0.29 0.00 0.00 0.00 178.15 177.89 3g49 n LYS 1011N -5.62 -0.08 -0.17 2.37 5.02 -0.66 0.19 118.16 119.22 3g49 n LYS 1011Ca -0.16 1.41 -0.09 0.00 -2.02 0.00 0.00 58.31 57.44 3g49 n LYS 1011Cb 0.50 -2.17 0.00 0.00 -0.02 0.00 0.00 35.03 33.33 3g49 n LYS 1011CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 3g49 h GLY 1012N 0.00 0.87 0.99 0.72 0.00 -0.47 -0.43 103.07 104.74 3g49 h GLY 1012Ca 0.51 -0.59 -0.18 0.00 0.00 0.00 0.00 47.33 47.07 3g49 h GLY 1012CO -0.90 0.54 -0.61 -0.84 0.00 0.00 0.00 176.54 174.73 3g49 h THR 1013N 0.67 1.33 0.08 4.70 2.02 -0.12 -1.97 112.91 119.63 3g49 h THR 1013Ca 0.14 -1.89 0.02 0.00 0.77 0.00 0.00 66.41 65.45 3g49 h THR 1013Cb 0.41 2.13 -0.03 0.00 -1.74 0.00 0.00 68.15 68.92 3g49 h THR 1013CO 0.01 0.58 -0.19 0.00 0.37 0.00 0.00 175.52 176.29 3g49 h ALA 1014N 0.50 -0.30 0.00 6.16 0.00 -0.04 -0.31 119.26 125.27 3g49 h ALA 1014Ca -0.04 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3g49 h ALA 1014Cb 1.25 0.31 0.00 0.00 0.00 0.00 0.00 17.79 19.35 3g49 h ALA 1014CO 0.13 -0.71 0.00 1.28 0.00 0.00 0.00 179.25 179.95 3g49 n LEU 1015N -5.32 0.00 -3.74 0.00 4.77 -0.19 -4.91 117.00 107.61 3g49 n LEU 1015Ca -0.06 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 55.66 3g49 n LEU 1015Cb 0.23 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.37 3g49 n LEU 1015CO 0.27 0.00 0.12 0.54 -1.33 0.00 0.00 177.39 176.98 3g49 n ARG 1016N -0.82 -6.22 -1.98 3.23 1.74 -0.13 -4.98 116.66 107.50 3g49 n ARG 1016Ca 0.04 0.69 -0.32 0.00 -0.77 0.00 0.00 57.85 57.50 3g49 n ARG 1016Cb 0.02 -5.58 0.01 0.00 -1.02 0.00 0.00 32.46 25.89 3g49 n ARG 1016CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 3g49 s GLN 1017N -6.31 3.51 0.02 5.56 -0.21 -0.75 -4.88 119.66 116.61 3g49 s GLN 1017Ca 0.46 0.92 -0.20 0.00 0.02 0.00 0.00 55.36 56.57 3g49 s GLN 1017Cb -0.22 -2.07 -0.18 0.00 1.00 0.00 0.00 33.01 31.54 3g49 s GLN 1017CO 0.79 -0.64 1.23 -0.44 -2.12 0.00 0.00 175.29 174.11 3g49 h ASP 1018N 0.06 0.46 -4.28 5.90 3.32 -1.91 -3.31 116.42 116.65 3g49 h ASP 1018Ca -0.45 -0.61 -0.28 0.00 0.02 0.00 0.00 57.03 55.71 3g49 h ASP 1018Cb 1.20 -0.13 -0.15 0.00 0.22 0.00 0.00 39.33 40.47 3g49 h ASP 1018CO 0.60 0.99 -0.70 -1.61 -1.72 0.00 0.00 179.24 176.79 3g49 s GLU 1019N -3.80 0.96 -0.25 3.56 2.02 -1.26 -2.48 118.70 117.44 3g49 s GLU 1019Ca -0.14 -1.40 -0.02 0.00 0.02 0.00 0.00 54.97 53.43 3g49 s GLU 1019Cb 0.05 -0.42 0.14 0.00 0.10 0.00 0.00 34.13 34.00 3g49 s GLU 1019CO 0.78 0.02 0.38 1.41 0.02 0.00 0.00 175.26 177.88 3g49 s MET 1020N -3.80 0.36 -0.19 1.61 1.75 0.08 -4.89 119.30 114.23 3g49 s MET 1020Ca 0.15 0.42 -0.14 0.00 -1.25 0.00 0.00 55.69 54.88 3g49 s MET 1020Cb 0.04 -0.45 -0.04 0.00 2.84 0.00 0.00 34.83 37.21 3g49 s MET 1020CO -0.02 -0.74 0.29 0.71 -0.65 0.00 0.00 175.02 174.62 3g49 s TYR 1021N 2.54 3.41 -0.27 4.11 2.02 -1.26 0.14 117.35 128.03 3g49 s TYR 1021Ca 0.12 0.52 -0.03 0.00 -0.37 0.00 0.00 57.07 57.30 3g49 s TYR 1021Cb -0.15 -2.37 0.09 0.00 -0.40 0.00 0.00 41.96 39.13 3g49 s TYR 1021CO -0.19 0.14 0.11 -0.47 -1.57 0.00 0.00 175.55 173.57 3g49 s TYR 1022N 0.82 0.63 0.00 2.71 5.04 0.83 -4.92 117.35 122.45 3g49 s TYR 1022Ca 0.15 -0.98 0.00 0.00 -2.44 0.00 0.00 57.07 53.80 3g49 s TYR 1022Cb -0.13 -1.05 0.00 0.00 0.35 0.00 0.00 41.96 41.13 3g49 s TYR 1022CO 0.05 -0.79 0.14 1.33 -1.34 0.00 0.00 175.55 174.94 3g49 n VAL 1023N 5.16 0.01 0.00 3.14 0.24 -1.26 -1.97 118.33 123.65 3g49 n VAL 1023Ca -0.05 -0.13 0.00 0.00 -2.04 0.00 0.00 64.34 62.12 3g49 n VAL 1023Cb 0.43 1.72 0.00 0.00 -1.47 0.00 0.00 33.84 34.52 3g49 n VAL 1023CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3g49 n GLY 1024N -0.01 1.09 3.64 7.63 0.00 -1.26 -4.50 105.19 111.78 3g49 n GLY 1024Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 3g49 n GLY 1024CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3g49 s SER 1025N -2.00 -0.56 0.39 1.61 0.15 -1.26 -5.02 113.70 107.01 3g49 s SER 1025Ca 0.00 0.96 0.26 0.00 0.70 0.00 0.00 55.95 57.87 3g49 s SER 1025Cb 0.00 1.12 0.69 0.00 -1.71 0.00 0.00 66.02 66.12 3g49 s SER 1025CO 0.00 -0.16 1.73 0.03 1.20 0.00 0.00 173.24 176.04 3g49 h ARG 1026N 5.44 0.00 0.04 5.44 3.08 -2.01 -3.38 114.38 122.99 3g49 h ARG 1026Ca -0.28 0.00 -0.37 0.00 0.07 0.00 0.00 59.98 59.40 3g49 h ARG 1026Cb 1.19 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 31.19 3g49 h ARG 1026CO 0.15 0.00 -2.26 0.91 -1.07 0.00 0.00 179.97 177.70 3g49 n TRP 1027N -2.82 0.45 -0.33 3.04 7.02 -1.26 -4.50 117.44 119.04 3g49 n TRP 1027Ca 0.04 0.11 0.13 0.00 -1.02 0.00 0.00 57.50 56.76 3g49 n TRP 1027Cb 0.44 -1.06 0.35 0.00 -2.42 0.00 0.00 31.31 28.61 3g49 n TRP 1027CO 0.00 0.00 0.00 0.28 -2.02 0.00 0.00 177.69 175.95 3g49 h VAL 1028N 0.02 0.75 -0.97 -0.99 2.07 -1.98 -2.00 116.25 113.16 3g49 h VAL 1028Ca -0.50 -0.25 0.25 0.00 0.82 0.00 0.00 66.70 67.02 3g49 h VAL 1028Cb 2.01 -0.05 -0.06 0.00 -1.52 0.00 0.00 31.29 31.67 3g49 h VAL 1028CO -0.00 0.13 0.66 -0.65 0.02 0.00 0.00 177.57 177.73 3g49 h PRO 1029N 0.74 0.20 -0.00 1.57 0.11 -1.79 -0.62 132.00 132.21 3g49 h PRO 1029Ca 0.53 -0.01 -0.11 0.00 0.11 0.00 0.00 66.00 66.52 3g49 h PRO 1029Cb 0.86 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 31.91 3g49 h PRO 1029CO -0.31 0.14 -0.54 1.88 -0.21 0.00 0.00 178.00 178.96 3g49 h TYR 1030N 0.21 0.00 -0.01 0.65 0.05 -1.65 0.23 116.97 116.46 3g49 h TYR 1030Ca 0.49 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.27 3g49 h TYR 1030Cb 1.57 -0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.31 3g49 h TYR 1030CO -0.00 0.54 -0.02 1.28 -1.05 0.00 0.00 178.16 178.91 3g49 n LEU 1031N -3.90 0.68 -0.00 3.88 4.77 -0.29 -3.95 117.00 118.19 3g49 n LEU 1031Ca -0.01 -0.20 0.02 0.00 -0.03 0.00 0.00 56.01 55.79 3g49 n LEU 1031Cb 0.55 -0.03 -0.03 0.00 -2.33 0.00 0.00 43.42 41.57 3g49 n LEU 1031CO 0.41 0.12 -0.34 0.18 -1.33 0.00 0.00 177.39 176.43 3g49 n LEU 1032N -0.53 0.08 -0.19 2.23 4.77 -0.72 -4.66 117.00 117.98 3g49 n LEU 1032Ca 0.20 -0.20 0.14 0.00 -0.03 0.00 0.00 56.01 56.13 3g49 n LEU 1032Cb 0.24 0.00 0.63 0.00 -2.33 0.00 0.00 43.42 41.96 3g49 n LEU 1032CO 0.19 0.02 0.89 0.61 -1.33 0.00 0.00 177.39 177.77 3g49 n GLY 1033N 1.80 -0.71 3.30 -0.72 0.00 0.74 -4.98 105.19 104.61 3g49 n GLY 1033Ca -0.00 -0.31 -0.25 0.00 0.00 0.00 0.00 46.02 45.46 3g49 n GLY 1033CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3g49 n ASN 1034N -0.68 -6.25 -0.17 1.61 2.85 -1.26 -4.74 115.26 106.61 3g49 n ASN 1034Ca 0.17 0.15 -0.01 0.00 -0.11 0.00 0.00 54.58 54.77 3g49 n ASN 1034Cb 0.27 -2.49 0.08 0.00 1.24 0.00 0.00 39.78 38.88 3g49 n ASN 1034CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3g49 h PRO 1035N 2.39 0.20 -0.87 1.20 0.11 -1.94 -1.84 132.00 131.25 3g49 h PRO 1035Ca -0.34 -0.01 0.22 0.00 0.11 0.00 0.00 66.00 65.98 3g49 h PRO 1035Cb 1.19 -0.04 -0.15 0.00 0.11 0.00 0.00 31.00 32.11 3g49 h PRO 1035CO 0.18 0.13 0.10 0.78 -0.21 0.00 0.00 178.00 178.98 3g49 h GLY 1036N 0.20 1.15 1.02 -0.55 0.00 -1.98 0.12 103.07 103.04 3g49 h GLY 1036Ca 0.27 0.07 -0.03 0.00 0.00 0.00 0.00 47.33 47.64 3g49 h GLY 1036CO -0.37 -0.38 0.35 -0.09 0.00 0.00 0.00 176.54 176.04 3g49 h ARG 1037N 0.12 1.09 -0.06 4.80 2.43 -1.66 0.45 114.38 121.54 3g49 h ARG 1037Ca 0.52 -0.17 -0.06 0.00 -0.81 0.00 0.00 59.98 59.46 3g49 h ARG 1037Cb 1.02 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 30.38 3g49 h ARG 1037CO -0.73 0.86 -0.19 0.87 -1.51 0.00 0.00 179.97 179.26 3g49 h LYS 1038N 1.06 0.23 -0.24 0.20 1.79 -1.07 -1.77 116.57 116.77 3g49 h LYS 1038Ca 0.26 -0.17 0.06 0.00 -2.18 0.00 0.00 60.65 58.61 3g49 h LYS 1038Cb 0.14 0.03 -0.07 0.00 -1.58 0.00 0.00 32.23 30.74 3g49 h LYS 1038CO -0.03 0.80 -0.32 0.82 -1.08 0.00 0.00 179.45 179.63 3g49 h ILE 1039N -0.29 0.26 0.00 1.86 2.04 -0.78 -2.53 117.51 118.08 3g49 h ILE 1039Ca -0.01 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.82 3g49 h ILE 1039Cb 0.82 0.26 -0.00 0.00 -0.74 0.00 0.00 36.82 37.15 3g49 h ILE 1039CO 0.04 0.00 -0.13 0.24 0.00 0.00 0.00 178.15 178.30 3g49 h MET 1040N -0.34 0.00 -0.01 2.37 2.86 0.10 -1.81 114.93 118.10 3g49 h MET 1040Ca 0.12 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.71 3g49 h MET 1040Cb 0.54 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.21 3g49 h MET 1040CO -0.43 0.13 -0.21 0.93 1.06 0.00 0.00 176.91 178.40 3g49 h GLU 1041N 0.00 0.16 -0.42 1.72 5.08 -1.23 -2.84 114.58 117.05 3g49 h GLU 1041Ca -0.00 -0.16 0.06 0.00 -1.00 0.00 0.00 59.36 58.26 3g49 h GLU 1041Cb 0.48 0.04 -0.09 0.00 0.50 0.00 0.00 28.75 29.68 3g49 h GLU 1041CO 0.02 0.88 -0.52 0.35 -1.00 0.00 0.00 179.01 178.74 3g49 h PHE 1042N -0.50 -1.56 0.00 4.33 -0.00 -1.35 -2.85 116.94 115.01 3g49 h PHE 1042Ca -0.02 0.08 -0.01 0.00 -0.00 0.00 0.00 57.97 58.02 3g49 h PHE 1042Cb 0.94 0.74 -0.00 0.00 -0.00 0.00 0.00 35.95 37.63 3g49 h PHE 1042CO 0.17 -0.47 -0.04 -0.07 -0.00 0.00 0.00 178.31 177.90 3g49 h LEU 1043N -0.37 0.00 0.00 0.59 3.38 -1.26 -2.76 115.31 114.90 3g49 h LEU 1043Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3g49 h LEU 1043Cb 0.59 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.34 3g49 h LEU 1043CO -0.60 0.04 -0.63 0.28 0.09 0.00 0.00 178.44 177.62 3g49 h SER 1044N 0.00 0.00 -0.69 -0.43 0.02 -1.28 -2.50 113.55 108.68 3g49 h SER 1044Ca -0.00 -0.12 0.10 0.00 -0.84 0.00 0.00 61.79 60.94 3g49 h SER 1044Cb 0.36 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 62.83 3g49 h SER 1044CO 0.01 0.06 0.30 0.00 -1.14 0.00 0.00 176.83 176.05 3g49 h ALA 1045N 2.31 0.93 -0.31 3.77 0.00 -1.33 -2.79 119.26 121.85 3g49 h ALA 1045Ca 0.00 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3g49 h ALA 1045Cb 0.84 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 3g49 h ALA 1045CO 0.00 -0.13 0.17 0.00 0.00 0.00 0.00 179.25 179.28 3g49 h ALA 1046N 1.45 0.39 0.00 0.00 0.00 -1.60 -1.99 119.26 117.52 3g49 h ALA 1046Ca 0.35 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.19 3g49 h ALA 1046Cb 0.43 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3g49 h ALA 1046CO -0.31 -0.08 0.33 -0.85 0.00 0.00 0.00 179.25 178.34 3g49 n GLU 1047N -4.81 0.03 -3.78 0.00 0.28 -1.05 -4.63 120.64 106.68 3g49 n GLU 1047Ca -0.02 0.36 -0.32 0.00 -0.16 0.00 0.00 57.16 57.03 3g49 n GLU 1047Cb 0.07 -1.93 -0.05 0.00 1.43 0.00 0.00 31.44 30.97 3g49 n GLU 1047CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 177.13 177.68 3g49 s TYR 1048N -2.79 3.51 -0.78 -1.84 1.51 -0.75 -5.05 117.35 111.15 3g49 s TYR 1048Ca -0.00 0.44 -0.16 0.00 -1.01 0.00 0.00 57.07 56.34 3g49 s TYR 1048Cb 0.01 -1.91 0.17 0.00 -0.11 0.00 0.00 41.96 40.13 3g49 s TYR 1048CO 0.04 0.52 0.81 1.21 -1.11 0.00 0.00 175.55 177.01 3g49 s ASN 1049N -2.36 6.59 0.32 2.29 2.47 -1.26 -4.91 114.94 118.07 3g49 s ASN 1049Ca 0.37 -2.26 0.10 0.00 0.42 0.00 0.00 52.86 51.49 3g49 s ASN 1049Cb -0.13 -2.26 0.52 0.00 -1.45 0.00 0.00 41.25 37.93 3g49 s ASN 1049CO 0.25 -0.79 1.72 -0.50 -3.72 0.00 0.00 177.10 174.05 3g49 h TRP 1050N 8.34 0.06 0.00 0.43 -0.00 -1.93 -0.44 115.95 122.42 3g49 h TRP 1050Ca 0.01 -0.02 0.00 0.00 -0.00 0.00 0.00 58.89 58.88 3g49 h TRP 1050Cb 1.05 -0.01 0.00 0.00 -0.00 0.00 0.00 29.16 30.20 3g49 h TRP 1050CO 1.00 0.52 0.00 -0.25 -0.00 0.00 0.00 178.44 179.71 3g49 n ASP 1051N -3.97 0.00 -0.83 -3.49 8.00 -1.26 -5.26 116.55 109.74 3g49 n ASP 1051Ca -0.02 0.47 0.10 0.00 0.71 0.00 0.00 54.79 56.06 3g49 n ASP 1051Cb 0.50 -0.48 0.09 0.00 -0.02 0.00 0.00 41.12 41.21 3g49 n ASP 1051CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40