#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bsx n ARG 829 N 0.00 0.00 -1.44 1.61 5.12 -1.26 -5.08 116.66 115.61 3bsx n ARG 829 Ca 0.00 0.20 -0.33 0.00 -1.93 0.00 0.00 57.85 55.79 3bsx n ARG 829 Cb 0.00 -0.07 0.08 0.00 -1.16 0.00 0.00 32.46 31.32 3bsx n ARG 829 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 3bsx s SER 830 N 0.00 4.42 -0.01 0.55 1.04 -1.26 -4.86 113.70 113.58 3bsx s SER 830 Ca 0.00 2.14 -0.01 0.00 0.48 0.00 0.00 55.95 58.56 3bsx s SER 830 Cb 0.00 -2.56 -0.02 0.00 0.10 0.00 0.00 66.02 63.54 3bsx s SER 830 CO 0.00 -2.10 2.15 -2.11 0.98 0.00 0.00 173.24 172.16 3bsx n ARG 831 N -2.89 1.12 0.00 4.02 0.00 -1.26 -1.85 116.66 115.81 3bsx n ARG 831 Ca 0.12 -0.15 0.00 0.00 -0.00 0.00 0.00 57.85 57.81 3bsx n ARG 831 Cb 0.51 -1.12 0.00 0.00 -0.00 0.00 0.00 32.46 31.86 3bsx n ARG 831 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 3bsx n LEU 832 N 1.55 0.21 -0.06 2.89 0.00 -1.26 -4.36 117.00 115.97 3bsx n LEU 832 Ca 0.05 0.00 -0.12 0.00 0.00 0.00 0.00 56.01 55.95 3bsx n LEU 832 Cb 0.54 0.00 -0.05 0.00 0.00 0.00 0.00 43.42 43.91 3bsx n LEU 832 CO 0.03 -0.12 0.76 0.25 0.00 0.00 0.00 177.39 178.30 3bsx h LEU 833 N 0.00 0.31 -0.76 -1.96 5.85 -1.90 0.58 115.31 117.43 3bsx h LEU 833 Ca 0.00 -0.30 0.03 0.00 0.84 0.00 0.00 57.88 58.45 3bsx h LEU 833 Cb 0.11 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.01 3bsx h LEU 833 CO 0.00 0.53 0.48 -0.33 -0.34 0.00 0.00 178.44 178.79 3bsx h GLU 834 N 0.08 0.93 -0.37 1.25 4.39 -1.67 1.17 114.58 120.35 3bsx h GLU 834 Ca 0.05 -0.06 -0.10 0.00 0.34 0.00 0.00 59.36 59.60 3bsx h GLU 834 Cb 0.37 -0.21 -0.02 0.00 -0.10 0.00 0.00 28.75 28.80 3bsx h GLU 834 CO 0.01 0.61 -0.17 -0.44 -1.16 0.00 0.00 179.01 177.86 3bsx h ASP 835 N 0.95 0.70 0.28 1.42 3.32 -1.72 -0.56 116.42 120.81 3bsx h ASP 835 Ca 0.30 -0.22 -0.14 0.00 0.02 0.00 0.00 57.03 56.98 3bsx h ASP 835 Cb -0.01 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.34 3bsx h ASP 835 CO -0.10 0.87 -0.57 0.15 -1.72 0.00 0.00 179.24 177.88 3bsx h PHE 836 N 0.62 0.38 -0.07 4.55 3.57 0.57 -3.06 116.94 123.50 3bsx h PHE 836 Ca 0.10 -0.14 0.00 0.00 3.53 0.00 0.00 57.97 61.46 3bsx h PHE 836 Cb 0.64 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.31 3bsx h PHE 836 CO 0.03 0.80 0.00 -2.13 -2.23 0.00 0.00 178.31 174.78 3bsx n ARG 837 N -3.91 1.20 -0.00 1.11 3.00 0.40 -2.40 116.66 116.07 3bsx n ARG 837 Ca -0.02 -0.31 0.04 0.00 -0.00 0.00 0.00 57.85 57.56 3bsx n ARG 837 Cb 0.60 -1.21 -0.06 0.00 0.00 0.00 0.00 32.46 31.78 3bsx n ARG 837 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 3bsx n ASN 838 N -0.38 2.00 -0.75 6.15 3.02 -0.27 -4.97 115.26 120.07 3bsx n ASN 838 Ca 0.09 -0.26 0.00 0.00 -0.03 0.00 0.00 54.58 54.38 3bsx n ASN 838 Cb 0.11 1.26 0.00 0.00 -0.61 0.00 0.00 39.78 40.54 3bsx n ASN 838 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3bsx n ASN 839 N -1.59 -1.74 0.00 6.41 2.85 -1.01 -5.08 115.26 115.11 3bsx n ASN 839 Ca -0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 3bsx n ASN 839 Cb 0.20 -0.87 0.00 0.00 1.24 0.00 0.00 39.78 40.35 3bsx n ASN 839 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 3bsx n ARG 840 N 0.39 0.00 -3.72 1.20 5.12 -1.25 -4.98 116.66 113.43 3bsx n ARG 840 Ca 0.00 0.00 -0.29 0.00 -1.93 0.00 0.00 57.85 55.63 3bsx n ARG 840 Cb 0.00 0.00 -0.10 0.00 -1.16 0.00 0.00 32.46 31.20 3bsx n ARG 840 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 3bsx n TYR 841 N 0.00 3.47 1.00 -1.55 4.01 -1.26 -4.89 117.16 117.94 3bsx n TYR 841 Ca 0.00 -4.22 0.11 0.00 -0.16 0.00 0.00 57.90 53.64 3bsx n TYR 841 Cb 0.00 -0.68 0.56 0.00 -0.31 0.00 0.00 39.34 38.91 3bsx n TYR 841 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 3bsx n PRO 842 N 1.65 0.22 -0.11 -0.72 -0.04 -1.26 -2.04 135.00 132.70 3bsx n PRO 842 Ca 0.23 0.08 0.08 0.00 -0.04 0.00 0.00 63.50 63.85 3bsx n PRO 842 Cb 0.37 -1.50 0.13 0.00 -0.04 0.00 0.00 33.50 32.46 3bsx n PRO 842 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3bsx n ASN 843 N -1.36 2.72 -4.68 3.54 5.03 -1.26 -5.03 115.26 114.22 3bsx n ASN 843 Ca 0.09 -1.80 -0.55 0.00 0.87 0.00 0.00 54.58 53.19 3bsx n ASN 843 Cb 0.22 -0.14 -0.07 0.00 -1.02 0.00 0.00 39.78 38.77 3bsx n ASN 843 CO 0.00 0.00 0.00 -0.11 -1.83 0.00 0.00 177.26 175.32 3bsx n LEU 844 N 0.89 2.35 -4.95 3.41 7.94 -0.87 -4.97 117.00 120.80 3bsx n LEU 844 Ca 0.12 1.07 -0.20 0.00 -1.11 0.00 0.00 56.01 55.90 3bsx n LEU 844 Cb 0.43 -1.18 -0.02 0.00 0.53 0.00 0.00 43.42 43.19 3bsx n LEU 844 CO 0.10 -0.52 -0.00 -1.10 -1.11 0.00 0.00 177.39 174.75 3bsx s GLN 845 N 2.87 3.14 0.07 1.96 -1.52 -1.26 -5.04 119.66 119.88 3bsx s GLN 845 Ca 0.94 -0.98 -0.24 0.00 -1.95 0.00 0.00 55.36 53.13 3bsx s GLN 845 Cb -1.00 -2.77 -0.16 0.00 -0.22 0.00 0.00 33.01 28.86 3bsx s GLN 845 CO 0.60 0.19 1.64 -0.07 -0.25 0.00 0.00 175.29 177.40 3bsx h LEU 846 N 1.06 -0.00 -0.78 2.90 3.38 -1.98 -2.75 115.31 117.14 3bsx h LEU 846 Ca -0.48 -0.10 0.27 0.00 0.09 0.00 0.00 57.88 57.67 3bsx h LEU 846 Cb 1.25 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.85 3bsx h LEU 846 CO 0.56 0.10 0.23 -1.14 0.09 0.00 0.00 178.44 178.28 3bsx n ARG 847 N -5.04 -0.05 0.00 1.13 3.00 -1.26 -0.91 116.66 113.52 3bsx n ARG 847 Ca -0.07 1.12 0.13 0.00 -0.00 0.00 0.00 57.85 59.02 3bsx n ARG 847 Cb 0.08 -1.90 0.57 0.00 0.00 0.00 0.00 32.46 31.21 3bsx n ARG 847 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 3bsx n GLU 848 N -4.92 0.03 -0.35 -0.14 1.02 -1.04 -3.18 120.64 112.05 3bsx n GLU 848 Ca 0.24 0.05 0.08 0.00 -0.02 0.00 0.00 57.16 57.51 3bsx n GLU 848 Cb 0.81 -1.50 0.25 0.00 -0.02 0.00 0.00 31.44 30.98 3bsx n GLU 848 CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75 3bsx n ILE 849 N -1.48 1.35 -1.67 -3.67 -5.35 -0.09 -4.99 119.36 103.45 3bsx n ILE 849 Ca 0.07 -1.15 -0.45 0.00 -0.27 0.00 0.00 62.75 60.95 3bsx n ILE 849 Cb 0.30 0.33 -0.03 0.00 -1.74 0.00 0.00 39.64 38.49 3bsx n ILE 849 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3bsx n ALA 850 N 0.80 1.26 0.00 -1.28 0.00 -1.19 -0.25 120.51 119.84 3bsx n ALA 850 Ca 0.19 0.42 0.00 0.00 0.00 0.00 0.00 53.44 54.05 3bsx n ALA 850 Cb 0.63 -2.31 0.00 0.00 0.00 0.00 0.00 19.45 17.78 3bsx n ALA 850 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3bsx n GLY 851 N 2.57 2.88 0.02 0.00 0.00 -1.26 -4.86 105.19 104.54 3bsx n GLY 851 Ca 0.13 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.16 3bsx n GLY 851 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3bsx n HIS 852 N -2.00 0.00 -0.14 1.61 -0.00 0.66 -4.83 115.22 110.52 3bsx n HIS 852 Ca 0.00 -0.39 -0.05 0.00 -0.00 0.00 0.00 57.72 57.27 3bsx n HIS 852 Cb 0.00 -0.04 0.03 0.00 -0.00 0.00 0.00 29.99 29.98 3bsx n HIS 852 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 176.34 177.16 3bsx h ILE 853 N 0.96 0.95 -0.22 1.59 1.08 -1.86 -0.30 117.51 119.71 3bsx h ILE 853 Ca 0.00 -0.14 0.00 0.00 -0.39 0.00 0.00 64.86 64.33 3bsx h ILE 853 Cb 0.69 0.50 -0.01 0.00 -3.07 0.00 0.00 36.82 34.92 3bsx h ILE 853 CO 0.00 0.08 0.14 -0.03 -0.69 0.00 0.00 178.15 177.65 3bsx h MET 854 N 0.42 0.29 -0.17 2.37 4.05 -1.88 0.26 114.93 120.26 3bsx h MET 854 Ca 0.19 -0.02 -0.09 0.00 -0.28 0.00 0.00 59.70 59.50 3bsx h MET 854 Cb 0.12 -0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 30.84 3bsx h MET 854 CO -0.15 0.20 -0.28 1.49 0.23 0.00 0.00 176.91 178.40 3bsx h GLU 855 N 0.29 0.33 0.00 0.39 4.81 -1.80 -2.80 114.58 115.80 3bsx h GLU 855 Ca 0.08 -0.12 -0.27 0.00 -0.13 0.00 0.00 59.36 58.92 3bsx h GLU 855 Cb -0.02 -0.02 0.02 0.00 0.63 0.00 0.00 28.75 29.36 3bsx h GLU 855 CO -0.02 0.59 -1.04 0.74 -0.73 0.00 0.00 179.01 178.55 3bsx h PHE 856 N 0.29 1.03 0.00 0.92 -1.00 -0.48 -3.18 116.94 114.51 3bsx h PHE 856 Ca 0.04 -0.56 -0.01 0.00 2.81 0.00 0.00 57.97 60.25 3bsx h PHE 856 Cb 0.66 -0.12 -0.00 0.00 3.61 0.00 0.00 35.95 40.10 3bsx h PHE 856 CO 0.01 1.40 -0.06 0.77 -1.61 0.00 0.00 178.31 178.82 3bsx h SER 857 N 0.39 0.00 -0.53 2.17 0.02 -0.70 0.40 113.55 115.29 3bsx h SER 857 Ca -0.13 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.82 3bsx h SER 857 Cb 1.70 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.24 3bsx h SER 857 CO 0.20 0.06 0.00 0.00 -1.14 0.00 0.00 176.83 175.96 3bsx n GLN 858 N -3.51 2.59 -4.11 3.45 6.02 -1.14 -2.25 117.38 118.43 3bsx n GLN 858 Ca -0.02 -2.41 -0.34 0.00 -0.01 0.00 0.00 57.00 54.21 3bsx n GLN 858 Cb 0.19 -1.51 -0.07 0.00 1.02 0.00 0.00 30.24 29.86 3bsx n GLN 858 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 3bsx s ASP 859 N -1.21 5.77 0.12 1.08 2.15 -0.66 -4.80 116.67 119.12 3bsx s ASP 859 Ca 0.41 0.24 -0.30 0.00 0.43 0.00 0.00 52.55 53.33 3bsx s ASP 859 Cb 0.23 -1.71 -0.08 0.00 -0.30 0.00 0.00 42.92 41.05 3bsx s ASP 859 CO 0.31 0.33 1.59 -0.61 -0.17 0.00 0.00 175.17 176.62 3bsx h GLN 860 N 4.58 -0.55 0.20 4.34 4.15 -1.90 -1.38 115.11 124.55 3bsx h GLN 860 Ca -0.51 0.04 -0.35 0.00 0.77 0.00 0.00 58.65 58.60 3bsx h GLN 860 Cb 1.20 0.13 0.01 0.00 0.21 0.00 0.00 27.48 29.03 3bsx h GLN 860 CO 0.59 -0.37 -1.70 0.45 -1.93 0.00 0.00 178.83 175.87 3bsx h HIS 861 N -0.58 0.77 -0.89 3.99 3.86 -1.96 -3.29 115.15 117.05 3bsx h HIS 861 Ca 0.04 -0.56 0.17 0.00 -1.16 0.00 0.00 60.37 58.86 3bsx h HIS 861 Cb 0.65 -0.03 -0.16 0.00 1.06 0.00 0.00 27.41 28.93 3bsx h HIS 861 CO -0.41 1.66 -0.25 0.41 0.86 0.00 0.00 177.93 180.20 3bsx n GLY 862 N 1.84 -1.56 0.16 2.45 0.00 -1.24 -0.85 105.19 105.99 3bsx n GLY 862 Ca -0.24 0.96 -0.09 0.00 0.00 0.00 0.00 46.02 46.65 3bsx n GLY 862 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 3bsx h SER 863 N 0.00 0.42 -0.40 1.61 0.87 0.23 -2.29 113.55 113.99 3bsx h SER 863 Ca 0.40 -0.12 0.06 0.00 -1.23 0.00 0.00 61.79 60.90 3bsx h SER 863 Cb 0.62 -0.11 -0.05 0.00 -0.44 0.00 0.00 62.40 62.42 3bsx h SER 863 CO -0.91 0.42 0.09 0.03 -0.53 0.00 0.00 176.83 175.94 3bsx h ARG 864 N 0.39 0.21 -0.46 2.24 3.08 -1.37 0.36 114.38 118.83 3bsx h ARG 864 Ca 0.11 -0.01 0.05 0.00 0.07 0.00 0.00 59.98 60.20 3bsx h ARG 864 Cb 0.11 -0.05 -0.07 0.00 0.08 0.00 0.00 29.97 30.04 3bsx h ARG 864 CO -0.01 0.14 -0.45 0.35 -1.07 0.00 0.00 179.97 178.93 3bsx h PHE 865 N 0.22 -1.40 -0.17 3.04 3.57 -0.79 0.13 116.94 121.54 3bsx h PHE 865 Ca 0.19 0.08 0.03 0.00 3.53 0.00 0.00 57.97 61.80 3bsx h PHE 865 Cb 0.23 0.67 -0.03 0.00 2.79 0.00 0.00 35.95 39.61 3bsx h PHE 865 CO -0.19 -0.36 0.01 0.82 -2.23 0.00 0.00 178.31 176.35 3bsx h ILE 866 N -0.23 0.89 -0.26 1.41 2.04 -1.12 -0.31 117.51 119.93 3bsx h ILE 866 Ca 0.08 -0.02 0.06 0.00 1.00 0.00 0.00 64.86 65.98 3bsx h ILE 866 Cb 0.43 0.82 -0.08 0.00 -0.74 0.00 0.00 36.82 37.26 3bsx h ILE 866 CO -0.55 0.01 -0.31 1.56 0.00 0.00 0.00 178.15 178.86 3bsx h GLN 867 N 0.06 -0.30 -0.61 2.37 4.20 0.20 0.38 115.11 121.42 3bsx h GLN 867 Ca 0.08 0.02 -0.07 0.00 0.06 0.00 0.00 58.65 58.74 3bsx h GLN 867 Cb 0.09 0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.91 3bsx h GLN 867 CO -0.13 -0.20 0.10 -0.07 -0.67 0.00 0.00 178.83 177.87 3bsx h LEU 868 N -0.31 0.96 -0.55 1.46 3.38 -0.57 -3.15 115.31 116.53 3bsx h LEU 868 Ca 0.13 -0.26 -0.15 0.00 0.09 0.00 0.00 57.88 57.70 3bsx h LEU 868 Cb 0.53 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 3bsx h LEU 868 CO -0.44 0.98 -0.42 0.11 0.09 0.00 0.00 178.44 178.76 3bsx h LYS 869 N 0.91 0.70 -0.13 1.13 1.79 -0.61 -3.18 116.57 117.17 3bsx h LYS 869 Ca 0.18 -0.37 0.04 0.00 -2.18 0.00 0.00 60.65 58.32 3bsx h LYS 869 Cb 0.42 0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 31.08 3bsx h LYS 869 CO 0.01 0.98 0.10 -0.07 -1.08 0.00 0.00 179.45 179.39 3bsx h LEU 870 N 0.57 0.00 -1.42 2.94 3.38 -0.89 0.69 115.31 120.58 3bsx h LEU 870 Ca 0.04 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.03 3bsx h LEU 870 Cb 0.96 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.67 3bsx h LEU 870 CO 0.09 0.00 0.41 -0.33 0.09 0.00 0.00 178.44 178.69 3bsx h GLU 871 N 0.00 0.76 -0.04 1.13 5.08 -1.57 -3.15 114.58 116.80 3bsx h GLU 871 Ca 0.06 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 3bsx h GLU 871 Cb 0.26 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.34 3bsx h GLU 871 CO -0.00 0.51 0.00 0.54 -1.00 0.00 0.00 179.01 179.05 3bsx n ARG 872 N -4.45 0.34 -1.92 2.33 5.12 -0.77 -5.04 116.66 112.28 3bsx n ARG 872 Ca 0.07 -1.00 -0.40 0.00 -1.93 0.00 0.00 57.85 54.59 3bsx n ARG 872 Cb 0.08 -1.11 0.00 0.00 -1.16 0.00 0.00 32.46 30.28 3bsx n ARG 872 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3bsx s ALA 873 N -0.55 3.29 0.81 7.54 0.00 0.16 -5.04 121.76 127.97 3bsx s ALA 873 Ca 0.07 1.37 -0.11 0.00 0.00 0.00 0.00 51.96 53.28 3bsx s ALA 873 Cb 0.05 -3.54 0.08 0.00 0.00 0.00 0.00 23.12 19.70 3bsx s ALA 873 CO 0.07 -1.00 1.09 0.95 0.00 0.00 0.00 175.76 176.87 3bsx s THR 874 N -1.22 3.04 0.15 0.00 -4.23 -1.26 -4.80 115.64 107.32 3bsx s THR 874 Ca 0.58 0.34 -0.17 0.00 -1.18 0.00 0.00 61.69 61.26 3bsx s THR 874 Cb -0.41 -3.02 0.01 0.00 1.34 0.00 0.00 72.50 70.41 3bsx s THR 874 CO 0.54 -0.44 1.74 -0.65 -0.54 0.00 0.00 174.62 175.27 3bsx h PRO 875 N -1.16 0.21 -0.68 3.99 0.11 -1.99 -1.42 132.00 131.05 3bsx h PRO 875 Ca -0.47 -0.01 0.15 0.00 0.11 0.00 0.00 66.00 65.77 3bsx h PRO 875 Cb 1.27 -0.05 -0.11 0.00 0.11 0.00 0.00 31.00 32.22 3bsx h PRO 875 CO 0.58 0.14 0.09 0.00 -0.21 0.00 0.00 178.00 178.60 3bsx h ALA 876 N 1.21 0.79 -0.44 -0.75 0.00 -1.98 -0.06 119.26 118.04 3bsx h ALA 876 Ca 0.14 0.18 -0.02 0.00 0.00 0.00 0.00 54.91 55.22 3bsx h ALA 876 Cb 0.13 0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 3bsx h ALA 876 CO -0.16 -0.37 0.21 0.93 0.00 0.00 0.00 179.25 179.86 3bsx h GLU 877 N 0.19 0.63 -0.20 0.00 5.08 -1.70 -0.61 114.58 117.98 3bsx h GLU 877 Ca 0.37 -0.09 -0.13 0.00 -1.00 0.00 0.00 59.36 58.51 3bsx h GLU 877 Cb 0.62 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 3bsx h GLU 877 CO -0.53 0.54 -0.43 0.00 -1.00 0.00 0.00 179.01 177.60 3bsx h ARG 878 N 0.56 0.48 -0.61 2.33 3.08 -0.93 -2.27 114.38 117.02 3bsx h ARG 878 Ca 0.15 -0.25 -0.06 0.00 0.07 0.00 0.00 59.98 59.89 3bsx h ARG 878 Cb 0.12 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.15 3bsx h ARG 878 CO -0.02 0.82 0.14 0.37 -1.07 0.00 0.00 179.97 180.21 3bsx h GLN 879 N 0.40 0.98 -0.34 0.04 5.75 -0.85 0.24 115.11 121.32 3bsx h GLN 879 Ca 0.03 -0.24 0.07 0.00 -0.15 0.00 0.00 58.65 58.36 3bsx h GLN 879 Cb 0.91 -0.13 -0.06 0.00 1.07 0.00 0.00 27.48 29.27 3bsx h GLN 879 CO 0.08 0.91 -0.08 1.25 -2.65 0.00 0.00 178.83 178.33 3bsx h LEU 880 N 0.89 -0.31 0.54 -2.39 6.46 -0.76 -1.04 115.31 118.71 3bsx h LEU 880 Ca 0.19 0.10 -0.03 0.00 -0.12 0.00 0.00 57.88 58.02 3bsx h LEU 880 Cb 0.37 0.21 0.01 0.00 -0.73 0.00 0.00 40.66 40.52 3bsx h LEU 880 CO 0.00 -0.11 -0.26 0.58 -0.62 0.00 0.00 178.44 178.03 3bsx h VAL 881 N 0.01 0.40 -0.79 1.05 2.07 -1.33 -3.22 116.25 114.43 3bsx h VAL 881 Ca 0.17 -0.27 0.18 0.00 0.82 0.00 0.00 66.70 67.60 3bsx h VAL 881 Cb 0.25 0.50 -0.12 0.00 -1.52 0.00 0.00 31.29 30.40 3bsx h VAL 881 CO -0.35 0.04 0.20 0.15 0.02 0.00 0.00 177.57 177.63 3bsx h PHE 882 N -0.91 0.31 -0.69 1.57 3.04 -0.40 0.64 116.94 120.49 3bsx h PHE 882 Ca -0.07 0.05 0.14 0.00 3.98 0.00 0.00 57.97 62.06 3bsx h PHE 882 Cb 0.62 -0.01 -0.13 0.00 2.56 0.00 0.00 35.95 38.99 3bsx h PHE 882 CO -0.00 -0.12 -0.18 -0.97 -2.02 0.00 0.00 178.31 175.02 3bsx h ASN 883 N 0.26 -0.68 1.26 0.41 -1.24 -1.23 0.68 115.58 115.05 3bsx h ASN 883 Ca 0.46 0.21 0.00 0.00 0.71 0.00 0.00 56.30 57.68 3bsx h ASN 883 Cb 0.83 0.44 0.00 0.00 0.73 0.00 0.00 38.32 40.32 3bsx h ASN 883 CO -0.55 -0.24 0.00 -0.62 -1.29 0.00 0.00 177.43 174.73 3bsx n GLU 884 N -5.47 0.16 -0.08 6.67 1.02 0.18 -3.88 120.64 119.24 3bsx n GLU 884 Ca 0.09 0.14 -0.10 0.00 -0.02 0.00 0.00 57.16 57.27 3bsx n GLU 884 Cb 0.36 -1.68 -0.16 0.00 -0.02 0.00 0.00 31.44 29.94 3bsx n GLU 884 CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75 3bsx n ILE 885 N -1.96 1.44 -0.17 -3.67 -6.64 -0.72 -4.59 119.36 103.05 3bsx n ILE 885 Ca 0.06 -0.84 -0.03 0.00 -1.77 0.00 0.00 62.75 60.17 3bsx n ILE 885 Cb 0.39 -0.60 0.07 0.00 -1.44 0.00 0.00 39.64 38.06 3bsx n ILE 885 CO 0.00 0.00 0.00 0.25 -1.77 0.00 0.00 176.55 175.03 3bsx h LEU 886 N 0.00 0.19 0.21 7.28 5.85 -1.01 -1.57 115.31 126.27 3bsx h LEU 886 Ca -0.49 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.28 3bsx h LEU 886 Cb 2.19 0.04 0.00 0.00 0.37 0.00 0.00 40.66 43.27 3bsx h LEU 886 CO 0.04 0.13 -0.11 1.56 -0.34 0.00 0.00 178.44 179.72 3bsx h GLN 887 N 0.37 -0.29 -1.88 1.25 1.08 -1.81 -2.99 115.11 110.83 3bsx h GLN 887 Ca 0.25 0.02 -0.31 0.00 -1.45 0.00 0.00 58.65 57.16 3bsx h GLN 887 Cb 0.27 0.07 -0.12 0.00 -0.05 0.00 0.00 27.48 27.65 3bsx h GLN 887 CO -0.25 -0.19 0.14 0.00 -0.95 0.00 0.00 178.83 177.58 3bsx n ALA 888 N -2.19 5.80 0.19 3.87 0.00 -1.23 -4.56 120.51 122.38 3bsx n ALA 888 Ca -0.04 -2.00 -0.14 0.00 0.00 0.00 0.00 53.44 51.26 3bsx n ALA 888 Cb 0.12 -1.86 -0.07 0.00 0.00 0.00 0.00 19.45 17.64 3bsx n ALA 888 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3bsx h ALA 889 N 2.37 -0.56 -1.00 0.00 0.00 -1.13 -2.94 119.26 116.01 3bsx h ALA 889 Ca 0.26 -0.09 0.20 0.00 0.00 0.00 0.00 54.91 55.29 3bsx h ALA 889 Cb 1.01 0.38 -0.10 0.00 0.00 0.00 0.00 17.79 19.08 3bsx h ALA 889 CO 0.57 -0.85 0.61 -0.92 0.00 0.00 0.00 179.25 178.67 3bsx h TYR 890 N -0.57 0.98 -0.85 0.00 3.20 -1.86 -0.56 116.97 117.31 3bsx h TYR 890 Ca -0.01 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.89 3bsx h TYR 890 Cb 0.52 -0.30 -0.04 0.00 1.54 0.00 0.00 36.73 38.46 3bsx h TYR 890 CO -0.17 0.21 0.52 0.37 -1.64 0.00 0.00 178.16 177.45 3bsx h GLN 891 N 0.69 1.15 -0.08 1.82 4.15 -1.88 -2.66 115.11 118.30 3bsx h GLN 891 Ca 0.57 -0.10 -0.24 0.00 0.77 0.00 0.00 58.65 59.65 3bsx h GLN 891 Cb 0.98 -0.24 0.02 0.00 0.21 0.00 0.00 27.48 28.44 3bsx h GLN 891 CO -0.35 0.80 -0.87 -0.07 -1.93 0.00 0.00 178.83 176.41 3bsx h LEU 892 N 1.16 0.90 -1.86 -2.39 3.38 -1.08 -3.19 115.31 112.24 3bsx h LEU 892 Ca 0.30 -0.68 0.34 0.00 0.09 0.00 0.00 57.88 57.93 3bsx h LEU 892 Cb -0.05 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 40.36 3bsx h LEU 892 CO -0.06 1.45 0.84 0.24 0.09 0.00 0.00 178.44 181.01 3bsx h MET 893 N 0.43 0.07 -0.47 1.13 2.86 -0.82 -0.28 114.93 117.84 3bsx h MET 893 Ca -0.09 -0.00 -0.18 0.00 -2.06 0.00 0.00 59.70 57.37 3bsx h MET 893 Cb 1.52 -0.02 -0.11 0.00 0.06 0.00 0.00 31.60 33.05 3bsx h MET 893 CO 0.18 0.05 0.09 1.33 1.06 0.00 0.00 176.91 179.62 3bsx n VAL 894 N -4.27 2.63 -4.85 -2.22 0.24 -1.12 -2.15 118.33 106.59 3bsx n VAL 894 Ca 0.27 -2.24 -0.33 0.00 -2.04 0.00 0.00 64.34 60.00 3bsx n VAL 894 Cb 1.22 -0.33 -0.14 0.00 -1.47 0.00 0.00 33.84 33.12 3bsx n VAL 894 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3bsx s ASP 895 N -1.99 3.95 0.33 -1.34 -1.08 -0.22 -4.84 116.67 111.47 3bsx s ASP 895 Ca 0.47 -0.30 0.10 0.00 -0.52 0.00 0.00 52.55 52.30 3bsx s ASP 895 Cb 0.40 -1.35 1.01 0.00 -1.46 0.00 0.00 42.92 41.52 3bsx s ASP 895 CO 0.06 0.22 1.60 1.62 0.52 0.00 0.00 175.17 179.18 3bsx h VAL 896 N 5.09 0.09 0.00 1.11 3.04 -1.93 -2.60 116.25 121.05 3bsx h VAL 896 Ca -0.32 -0.02 -0.12 0.00 -1.01 0.00 0.00 66.70 65.23 3bsx h VAL 896 Cb 1.20 0.01 -0.02 0.00 -2.01 0.00 0.00 31.29 30.46 3bsx h VAL 896 CO 0.53 0.01 -1.72 0.49 -1.01 0.00 0.00 177.57 175.88 3bsx n PHE 897 N -5.31 0.00 0.24 3.17 3.01 -1.26 -4.65 117.46 112.65 3bsx n PHE 897 Ca 0.29 0.00 0.13 0.00 1.01 0.00 0.00 57.45 58.88 3bsx n PHE 897 Cb 0.97 -0.45 0.41 0.00 -0.01 0.00 0.00 39.48 40.40 3bsx n PHE 897 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 3bsx h GLY 898 N 2.38 0.00 1.37 1.37 0.00 -1.21 -3.24 103.07 103.74 3bsx h GLY 898 Ca -0.17 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.10 3bsx h GLY 898 CO 0.01 0.00 0.06 3.45 0.00 0.00 0.00 176.54 180.06 3bsx h ASN 899 N 0.00 0.73 0.11 0.19 7.08 -0.89 -2.53 115.58 120.29 3bsx h ASN 899 Ca -0.00 -0.15 -0.05 0.00 -3.08 0.00 0.00 56.30 53.02 3bsx h ASN 899 Cb 0.80 -0.19 -0.01 0.00 -2.08 0.00 0.00 38.32 36.84 3bsx h ASN 899 CO 0.01 0.76 -0.17 1.88 -2.08 0.00 0.00 177.43 177.83 3bsx h TYR 900 N 0.74 0.13 -0.12 4.14 -1.99 -1.84 -1.07 116.97 116.96 3bsx h TYR 900 Ca 0.16 -0.02 -0.01 0.00 2.00 0.00 0.00 58.73 60.86 3bsx h TYR 900 Cb 0.36 -0.04 -0.00 0.00 2.00 0.00 0.00 36.73 39.05 3bsx h TYR 900 CO 0.02 0.30 0.04 0.28 -0.00 0.00 0.00 178.16 178.80 3bsx h VAL 901 N 0.12 1.18 0.01 -2.88 2.07 -1.61 -1.76 116.25 113.39 3bsx h VAL 901 Ca 0.02 -0.55 0.01 0.00 0.82 0.00 0.00 66.70 67.00 3bsx h VAL 901 Cb 0.39 1.33 -0.01 0.00 -1.52 0.00 0.00 31.29 31.47 3bsx h VAL 901 CO 0.03 0.16 -0.07 0.40 0.02 0.00 0.00 177.57 178.11 3bsx h ILE 902 N 0.00 0.82 -0.65 4.57 5.03 -1.32 -2.97 117.51 122.98 3bsx h ILE 902 Ca 0.04 0.00 0.12 0.00 -0.12 0.00 0.00 64.86 64.89 3bsx h ILE 902 Cb 0.22 0.82 -0.09 0.00 -3.03 0.00 0.00 36.82 34.75 3bsx h ILE 902 CO -0.00 0.00 0.21 1.56 -0.68 0.00 0.00 178.15 179.23 3bsx h GLN 903 N -0.13 0.34 -0.99 2.37 4.20 -1.16 -2.20 115.11 117.54 3bsx h GLN 903 Ca 0.03 -0.02 0.10 0.00 0.06 0.00 0.00 58.65 58.81 3bsx h GLN 903 Cb 0.16 -0.08 -0.08 0.00 0.30 0.00 0.00 27.48 27.79 3bsx h GLN 903 CO -0.07 0.23 0.63 -0.22 -0.67 0.00 0.00 178.83 178.73 3bsx h LYS 904 N 0.35 1.02 -0.55 1.46 3.64 -1.16 0.30 116.57 121.64 3bsx h LYS 904 Ca 0.34 -0.06 0.08 0.00 -1.27 0.00 0.00 60.65 59.75 3bsx h LYS 904 Cb 0.49 -0.23 -0.03 0.00 -0.41 0.00 0.00 32.23 32.05 3bsx h LYS 904 CO -0.38 0.68 0.37 0.74 -2.27 0.00 0.00 179.45 178.59 3bsx h PHE 905 N 1.05 0.41 -0.07 1.91 0.04 -1.37 0.65 116.94 119.56 3bsx h PHE 905 Ca 0.46 0.01 -0.09 0.00 2.80 0.00 0.00 57.97 61.15 3bsx h PHE 905 Cb 0.36 -0.14 -0.01 0.00 2.20 0.00 0.00 35.95 38.36 3bsx h PHE 905 CO -0.00 0.21 -0.38 0.74 -0.60 0.00 0.00 178.31 178.28 3bsx h PHE 906 N 0.40 0.17 0.00 -0.55 -1.00 -0.31 -2.03 116.94 113.62 3bsx h PHE 906 Ca 0.25 -0.04 -0.10 0.00 2.81 0.00 0.00 57.97 60.89 3bsx h PHE 906 Cb 0.46 -0.04 -0.01 0.00 3.61 0.00 0.00 35.95 39.97 3bsx h PHE 906 CO -0.00 0.51 -0.61 0.93 -1.61 0.00 0.00 178.31 177.54 3bsx h GLU 907 N 0.13 0.00 -0.36 1.51 5.08 -0.78 -3.42 114.58 116.74 3bsx h GLU 907 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3bsx h GLU 907 Cb 0.73 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.98 3bsx h GLU 907 CO 0.05 0.70 0.00 1.19 -1.00 0.00 0.00 179.01 179.96 3bsx n PHE 908 N -4.56 0.48 -2.65 4.33 3.01 0.22 -5.03 117.46 113.26 3bsx n PHE 908 Ca -0.17 -0.39 -0.21 0.00 1.01 0.00 0.00 57.45 57.69 3bsx n PHE 908 Cb 0.47 -0.01 0.05 0.00 -0.01 0.00 0.00 39.48 39.97 3bsx n PHE 908 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 3bsx s GLY 909 N -1.06 1.81 0.44 1.37 0.00 -0.76 -4.96 107.32 104.16 3bsx s GLY 909 Ca 0.28 -1.45 -0.17 0.00 0.00 0.00 0.00 44.72 43.39 3bsx s GLY 909 CO 0.21 -1.10 0.91 -1.35 0.00 0.00 0.00 173.10 171.76 3bsx s SER 910 N -4.50 6.73 0.23 1.64 1.04 -1.26 -4.85 113.70 112.73 3bsx s SER 910 Ca 0.59 1.50 -0.07 0.00 0.48 0.00 0.00 55.95 58.46 3bsx s SER 910 Cb -0.09 -2.47 0.40 0.00 0.10 0.00 0.00 66.02 63.96 3bsx s SER 910 CO 0.40 -0.43 1.69 0.25 0.98 0.00 0.00 173.24 176.12 3bsx h LEU 911 N 1.47 -0.02 -1.31 2.42 5.85 -1.98 0.27 115.31 122.00 3bsx h LEU 911 Ca -0.48 0.14 0.15 0.00 0.84 0.00 0.00 57.88 58.53 3bsx h LEU 911 Cb 1.18 0.20 -0.07 0.00 0.37 0.00 0.00 40.66 42.34 3bsx h LEU 911 CO 0.62 -0.03 0.57 -0.33 -0.34 0.00 0.00 178.44 178.93 3bsx h GLU 912 N 0.25 0.63 -0.08 1.25 3.07 -1.98 0.31 114.58 118.03 3bsx h GLU 912 Ca 0.38 -0.04 -0.24 0.00 -0.50 0.00 0.00 59.36 58.96 3bsx h GLU 912 Cb 0.63 -0.14 0.02 0.00 -0.84 0.00 0.00 28.75 28.41 3bsx h GLU 912 CO -0.49 0.42 -0.88 1.96 -1.40 0.00 0.00 179.01 178.61 3bsx h GLN 913 N 0.65 0.74 -0.29 2.33 4.20 -0.93 -1.04 115.11 120.77 3bsx h GLN 913 Ca 0.45 -0.69 0.04 0.00 0.06 0.00 0.00 58.65 58.51 3bsx h GLN 913 Cb 0.78 0.17 -0.04 0.00 0.30 0.00 0.00 27.48 28.70 3bsx h GLN 913 CO -0.21 1.28 0.07 0.87 -0.67 0.00 0.00 178.83 180.17 3bsx h LYS 914 N 0.45 0.17 -0.42 1.46 1.57 0.20 -1.70 116.57 118.31 3bsx h LYS 914 Ca -0.09 -0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 58.63 3bsx h LYS 914 Cb 1.53 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.78 3bsx h LYS 914 CO 0.18 0.11 0.07 -0.07 -0.57 0.00 0.00 179.45 179.18 3bsx h LEU 915 N 0.18 0.66 -1.34 2.94 3.38 -0.46 -1.09 115.31 119.57 3bsx h LEU 915 Ca 0.13 -0.25 0.07 0.00 0.09 0.00 0.00 57.88 57.92 3bsx h LEU 915 Cb 0.13 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.66 3bsx h LEU 915 CO -0.17 0.74 0.50 0.00 0.09 0.00 0.00 178.44 179.61 3bsx h ALA 916 N 0.94 1.68 0.06 1.53 0.00 -1.09 -2.73 119.26 119.66 3bsx h ALA 916 Ca 0.13 -0.02 -0.24 0.00 0.00 0.00 0.00 54.91 54.77 3bsx h ALA 916 Cb 0.36 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3bsx h ALA 916 CO 0.01 0.19 -1.07 -0.07 0.00 0.00 0.00 179.25 178.31 3bsx h LEU 917 N 0.79 0.42 -1.98 0.00 3.38 -0.98 -2.78 115.31 114.17 3bsx h LEU 917 Ca 0.33 -0.39 0.01 0.00 0.09 0.00 0.00 57.88 57.91 3bsx h LEU 917 Cb 0.27 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 3bsx h LEU 917 CO -0.11 1.24 0.03 0.00 0.09 0.00 0.00 178.44 179.69 3bsx h ALA 918 N 0.71 2.00 0.00 1.53 0.00 -1.03 -1.66 119.26 120.82 3bsx h ALA 918 Ca -0.10 -0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.68 3bsx h ALA 918 Cb 1.75 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.52 3bsx h ALA 918 CO 0.18 -0.01 -0.72 1.05 0.00 0.00 0.00 179.25 179.74 3bsx h GLU 919 N 0.03 0.00 0.00 0.00 -0.00 -1.42 -2.61 114.58 110.58 3bsx h GLU 919 Ca 0.02 0.00 -0.04 0.00 -0.00 0.00 0.00 59.36 59.34 3bsx h GLU 919 Cb 0.04 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 28.78 3bsx h GLU 919 CO -0.00 0.54 -0.20 0.00 -0.00 0.00 0.00 179.01 179.35 3bsx h ARG 920 N 0.00 0.00 0.10 1.06 2.47 -1.03 -3.14 114.38 113.84 3bsx h ARG 920 Ca -0.03 0.00 -0.26 0.00 -1.26 0.00 0.00 59.98 58.43 3bsx h ARG 920 Cb 1.48 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.80 3bsx h ARG 920 CO 0.07 0.20 -1.17 0.82 0.56 0.00 0.00 179.97 180.45 3bsx h ILE 921 N 0.00 1.47 -0.90 2.04 2.04 -1.30 -3.46 117.51 117.41 3bsx h ILE 921 Ca -0.00 -2.90 -0.71 0.00 1.00 0.00 0.00 64.86 62.24 3bsx h ILE 921 Cb 0.94 2.82 0.04 0.00 -0.74 0.00 0.00 36.82 39.88 3bsx h ILE 921 CO 0.03 0.85 0.10 0.54 0.00 0.00 0.00 178.15 179.67 3bsx n ARG 922 N -3.59 0.00 -0.83 2.37 5.12 -1.00 0.87 116.66 119.60 3bsx n ARG 922 Ca -0.08 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.84 3bsx n ARG 922 Cb 0.98 -1.34 0.00 0.00 -1.16 0.00 0.00 32.46 30.93 3bsx n ARG 922 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3bsx n GLY 923 N 1.52 0.86 0.00 -0.13 0.00 -1.26 -4.82 105.19 101.35 3bsx n GLY 923 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 3bsx n GLY 923 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3bsx n HIS 924 N -2.00 0.00 -0.22 1.61 -0.00 0.25 -4.84 115.22 110.02 3bsx n HIS 924 Ca 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 57.72 57.74 3bsx n HIS 924 Cb 0.00 0.00 0.10 0.00 -0.00 0.00 0.00 29.99 30.09 3bsx n HIS 924 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 3bsx h VAL 925 N 0.08 0.41 -0.01 1.59 2.07 -1.85 0.85 116.25 119.39 3bsx h VAL 925 Ca 0.00 -0.03 -0.27 0.00 0.82 0.00 0.00 66.70 67.23 3bsx h VAL 925 Cb 0.04 0.33 0.02 0.00 -1.52 0.00 0.00 31.29 30.16 3bsx h VAL 925 CO 0.00 0.01 -1.03 0.25 0.02 0.00 0.00 177.57 176.82 3bsx h LEU 926 N 0.08 0.92 -1.60 2.57 5.85 -1.88 0.67 115.31 121.92 3bsx h LEU 926 Ca 0.34 -0.73 -0.01 0.00 0.84 0.00 0.00 57.88 58.31 3bsx h LEU 926 Cb 0.56 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 3bsx h LEU 926 CO -0.60 1.53 0.10 -1.28 -0.34 0.00 0.00 178.44 177.86 3bsx h SER 927 N 0.40 0.33 0.47 1.25 0.87 -1.81 -2.04 113.55 113.02 3bsx h SER 927 Ca -0.13 -0.03 -0.30 0.00 -1.23 0.00 0.00 61.79 60.10 3bsx h SER 927 Cb 1.69 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 63.56 3bsx h SER 927 CO 0.20 0.31 -1.51 -0.07 -0.53 0.00 0.00 176.83 175.23 3bsx h LEU 928 N 0.37 0.38 -1.44 2.23 3.38 -0.73 -3.09 115.31 116.41 3bsx h LEU 928 Ca 0.09 -0.52 -0.04 0.00 0.09 0.00 0.00 57.88 57.51 3bsx h LEU 928 Cb 0.08 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 3bsx h LEU 928 CO -0.01 1.43 -0.03 0.00 0.09 0.00 0.00 178.44 179.92 3bsx h ALA 929 N 0.51 1.55 -0.01 1.53 0.00 -0.64 0.11 119.26 122.31 3bsx h ALA 929 Ca -0.23 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.52 3bsx h ALA 929 Cb 2.01 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.70 3bsx h ALA 929 CO 0.16 0.33 -0.02 1.28 0.00 0.00 0.00 179.25 181.00 3bsx n LEU 930 N -4.33 1.10 -4.89 0.00 4.77 -0.79 -1.98 117.00 110.89 3bsx n LEU 930 Ca 0.00 -0.36 -0.34 0.00 -0.03 0.00 0.00 56.01 55.29 3bsx n LEU 930 Cb 0.22 -0.01 -0.05 0.00 -2.33 0.00 0.00 43.42 41.24 3bsx n LEU 930 CO 0.37 0.19 -0.04 -1.58 -1.33 0.00 0.00 177.39 175.00 3bsx s GLN 931 N -2.05 3.59 0.32 3.23 -0.44 -0.80 -4.81 119.66 118.71 3bsx s GLN 931 Ca 0.39 -0.09 0.01 0.00 -2.50 0.00 0.00 55.36 53.17 3bsx s GLN 931 Cb 0.21 -3.02 0.53 0.00 -1.64 0.00 0.00 33.01 29.10 3bsx s GLN 931 CO 0.36 0.59 1.91 1.98 0.50 0.00 0.00 175.29 180.63 3bsx h MET 932 N 3.60 0.77 0.01 1.67 1.85 -1.90 -1.67 114.93 119.27 3bsx h MET 932 Ca -0.48 -0.11 -0.38 0.00 -0.61 0.00 0.00 59.70 58.11 3bsx h MET 932 Cb 1.19 -0.14 -0.06 0.00 0.43 0.00 0.00 31.60 33.01 3bsx h MET 932 CO 0.69 0.63 -2.41 0.66 -0.40 0.00 0.00 176.91 176.08 3bsx n TYR 933 N -4.34 0.15 0.09 1.39 4.02 -1.26 -4.49 117.16 112.72 3bsx n TYR 933 Ca 0.04 0.03 0.04 0.00 -0.01 0.00 0.00 57.90 58.01 3bsx n TYR 933 Cb 0.16 -1.02 0.46 0.00 -0.02 0.00 0.00 39.34 38.92 3bsx n TYR 933 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 3bsx h GLY 934 N 2.07 0.36 2.00 2.72 0.00 -1.46 -1.90 103.07 106.86 3bsx h GLY 934 Ca -0.56 -0.16 -0.04 0.00 0.00 0.00 0.00 47.33 46.58 3bsx h GLY 934 CO -0.06 0.15 -0.17 0.00 0.00 0.00 0.00 176.54 176.46 3bsx h ARG 936 N 0.00 0.82 -0.16 0.00 2.47 -1.57 -2.30 114.38 113.64 3bsx h ARG 936 Ca -0.00 -0.62 -0.05 0.00 -1.26 0.00 0.00 59.98 58.05 3bsx h ARG 936 Cb 0.49 0.11 -0.00 0.00 -1.65 0.00 0.00 29.97 28.92 3bsx h ARG 936 CO 0.02 1.23 -0.11 0.28 0.56 0.00 0.00 179.97 181.96 3bsx h VAL 937 N 0.58 1.33 -0.59 2.04 2.07 -1.32 -2.68 116.25 117.67 3bsx h VAL 937 Ca -0.03 -1.21 0.09 0.00 0.82 0.00 0.00 66.70 66.36 3bsx h VAL 937 Cb 1.32 1.78 -0.07 0.00 -1.52 0.00 0.00 31.29 32.80 3bsx h VAL 937 CO 0.15 0.36 0.23 0.40 0.02 0.00 0.00 177.57 178.73 3bsx h ILE 938 N 0.01 0.80 -0.34 4.57 1.08 -1.22 0.51 117.51 122.92 3bsx h ILE 938 Ca 0.03 -0.15 -0.04 0.00 -0.39 0.00 0.00 64.86 64.32 3bsx h ILE 938 Cb 0.61 0.34 -0.02 0.00 -3.07 0.00 0.00 36.82 34.68 3bsx h ILE 938 CO 0.03 0.08 0.06 1.56 -0.69 0.00 0.00 178.15 179.19 3bsx h GLN 939 N 0.42 0.50 -0.08 2.37 4.20 -1.38 0.21 115.11 121.36 3bsx h GLN 939 Ca 0.29 -0.09 -0.17 0.00 0.06 0.00 0.00 58.65 58.75 3bsx h GLN 939 Cb 0.34 -0.08 0.01 0.00 0.30 0.00 0.00 27.48 28.04 3bsx h GLN 939 CO -0.28 0.49 -0.60 -0.22 -0.67 0.00 0.00 178.83 177.54 3bsx h LYS 940 N 0.49 0.55 -0.04 1.46 1.63 -1.11 -3.16 116.57 116.39 3bsx h LYS 940 Ca 0.11 -0.48 0.03 0.00 -0.85 0.00 0.00 60.65 59.46 3bsx h LYS 940 Cb 0.23 0.11 -0.05 0.00 -0.60 0.00 0.00 32.23 31.93 3bsx h LYS 940 CO 0.00 1.11 -0.22 0.00 -3.45 0.00 0.00 179.45 176.89 3bsx h ALA 941 N 0.45 -0.26 -0.46 5.00 0.00 -0.48 -1.87 119.26 121.64 3bsx h ALA 941 Ca -0.05 0.01 0.10 0.00 0.00 0.00 0.00 54.91 54.97 3bsx h ALA 941 Cb 1.26 0.41 -0.02 0.00 0.00 0.00 0.00 17.79 19.43 3bsx h ALA 941 CO 0.12 -0.71 0.32 -0.07 0.00 0.00 0.00 179.25 178.91 3bsx h LEU 942 N -0.33 0.18 0.00 0.00 3.38 -0.68 -0.70 115.31 117.16 3bsx h LEU 942 Ca 0.07 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.96 3bsx h LEU 942 Cb 0.43 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 3bsx h LEU 942 CO -0.23 0.11 -0.45 -0.08 0.09 0.00 0.00 178.44 177.88 3bsx h GLU 943 N 0.20 0.00 -0.07 1.13 4.81 -1.38 -3.38 114.58 115.89 3bsx h GLU 943 Ca 0.21 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.44 3bsx h GLU 943 Cb 0.58 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.96 3bsx h GLU 943 CO -0.04 0.40 0.00 1.19 -0.73 0.00 0.00 179.01 179.83 3bsx n PHE 944 N -3.19 0.08 -4.30 0.92 3.01 -0.32 -5.02 117.46 108.65 3bsx n PHE 944 Ca 0.02 -0.18 -0.33 0.00 1.01 0.00 0.00 57.45 57.97 3bsx n PHE 944 Cb 0.70 -0.01 -0.09 0.00 -0.01 0.00 0.00 39.48 40.07 3bsx n PHE 944 CO 0.00 0.00 0.00 0.96 1.01 0.00 0.00 176.76 178.73 3bsx s ILE 945 N -0.66 4.24 0.87 4.37 -4.36 -0.86 -5.04 121.20 119.76 3bsx s ILE 945 Ca 0.09 -0.49 -0.12 0.00 -0.26 0.00 0.00 60.65 59.87 3bsx s ILE 945 Cb 0.05 -2.87 0.10 0.00 1.25 0.00 0.00 42.46 41.00 3bsx s ILE 945 CO 0.08 0.44 1.07 -2.65 0.24 0.00 0.00 174.94 174.11 3bsx n PRO 946 N 1.58 -0.16 -0.36 0.37 -0.02 -1.26 -4.53 135.00 130.61 3bsx n PRO 946 Ca -0.15 0.02 -0.07 0.00 -2.02 0.00 0.00 63.50 61.28 3bsx n PRO 946 Cb 0.53 -2.32 -0.05 0.00 -0.02 0.00 0.00 33.50 31.63 3bsx n PRO 946 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 3bsx n SER 947 N -3.40 -0.82 -0.32 2.55 7.64 -1.26 -1.73 113.62 116.28 3bsx n SER 947 Ca 0.12 1.56 0.18 0.00 1.01 0.00 0.00 58.87 61.74 3bsx n SER 947 Cb 0.51 -0.25 0.37 0.00 -1.01 0.00 0.00 64.21 63.84 3bsx n SER 947 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 3bsx h ASP 948 N 0.00 0.25 0.25 6.43 -0.00 -1.99 0.54 116.42 121.91 3bsx h ASP 948 Ca 0.19 0.19 -0.34 0.00 -0.00 0.00 0.00 57.03 57.07 3bsx h ASP 948 Cb 0.41 0.20 0.03 0.00 -0.00 0.00 0.00 39.33 39.98 3bsx h ASP 948 CO -0.84 -0.14 -1.55 1.56 -0.00 0.00 0.00 179.24 178.27 3bsx h GLN 949 N 0.28 0.51 -0.37 0.28 7.50 -1.67 -2.09 115.11 119.55 3bsx h GLN 949 Ca 0.64 -0.87 0.07 0.00 0.50 0.00 0.00 58.65 58.98 3bsx h GLN 949 Cb 1.36 0.33 -0.09 0.00 0.05 0.00 0.00 27.48 29.13 3bsx h GLN 949 CO -0.63 1.42 -0.42 1.96 -1.50 0.00 0.00 178.83 179.66 3bsx h GLN 950 N 0.14 -0.33 -0.74 1.46 4.20 -0.87 0.13 115.11 119.10 3bsx h GLN 950 Ca -0.28 0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.45 3bsx h GLN 950 Cb 2.16 0.07 -0.04 0.00 0.30 0.00 0.00 27.48 29.98 3bsx h GLN 950 CO 0.26 -0.22 0.46 -0.91 -0.67 0.00 0.00 178.83 177.74 3bsx h ASN 951 N -0.34 0.88 0.20 1.46 2.35 -0.96 0.52 115.58 119.69 3bsx h ASN 951 Ca 0.13 -0.04 -0.01 0.00 -0.55 0.00 0.00 56.30 55.83 3bsx h ASN 951 Cb 0.59 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.74 3bsx h ASN 951 CO -0.55 0.67 -0.10 -0.33 -1.65 0.00 0.00 177.43 175.47 3bsx h GLU 952 N 1.02 -0.26 0.72 0.81 5.08 -1.11 -3.07 114.58 117.77 3bsx h GLU 952 Ca 0.27 0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.61 3bsx h GLU 952 Cb -0.06 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 3bsx h GLU 952 CO -0.05 -0.05 -0.41 1.98 -1.00 0.00 0.00 179.01 179.48 3bsx h MET 953 N -0.44 -1.01 0.00 2.33 4.05 -0.21 -3.00 114.93 116.65 3bsx h MET 953 Ca -0.03 0.07 0.00 0.00 -0.28 0.00 0.00 59.70 59.46 3bsx h MET 953 Cb 0.34 0.23 0.00 0.00 -0.80 0.00 0.00 31.60 31.37 3bsx h MET 953 CO 0.05 -0.68 0.29 -0.24 0.23 0.00 0.00 176.91 176.56 3bsx h VAL 954 N -1.05 0.00 0.00 -5.77 3.04 -0.09 -1.58 116.25 110.80 3bsx h VAL 954 Ca -0.09 0.00 -0.04 0.00 -1.01 0.00 0.00 66.70 65.55 3bsx h VAL 954 Cb 0.83 0.68 -0.01 0.00 -2.01 0.00 0.00 31.29 30.78 3bsx h VAL 954 CO 0.12 0.00 -0.20 0.03 -1.01 0.00 0.00 177.57 176.51 3bsx h ARG 955 N 0.00 0.00 0.00 4.17 3.08 -1.42 -3.01 114.38 117.20 3bsx h ARG 955 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3bsx h ARG 955 Cb 0.58 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.63 3bsx h ARG 955 CO 0.00 0.20 0.00 0.39 -1.07 0.00 0.00 179.97 179.49 3bsx n GLU 956 N -3.63 0.08 -0.00 0.04 1.02 -0.60 -2.99 120.64 114.56 3bsx n GLU 956 Ca -0.01 0.15 0.01 0.00 -0.02 0.00 0.00 57.16 57.28 3bsx n GLU 956 Cb 0.33 -1.50 -0.11 0.00 -0.02 0.00 0.00 31.44 30.13 3bsx n GLU 956 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3bsx n LEU 957 N -1.44 0.49 -4.70 -4.62 4.32 -1.14 -4.69 117.00 105.22 3bsx n LEU 957 Ca 0.06 0.21 -0.57 0.00 -0.02 0.00 0.00 56.01 55.69 3bsx n LEU 957 Cb 0.21 0.15 -0.07 0.00 -1.62 0.00 0.00 43.42 42.08 3bsx n LEU 957 CO 0.17 0.18 1.30 -0.67 -1.22 0.00 0.00 177.39 177.15 3bsx n ASP 958 N -2.72 2.37 0.00 -1.43 4.64 -1.16 0.04 116.55 118.29 3bsx n ASP 958 Ca -0.13 1.07 0.00 0.00 -1.38 0.00 0.00 54.79 54.35 3bsx n ASP 958 Cb 0.84 -1.15 0.00 0.00 -1.04 0.00 0.00 41.12 39.77 3bsx n ASP 958 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3bsx n GLY 959 N 4.09 0.54 0.74 0.27 0.00 -1.26 -4.91 105.19 104.65 3bsx n GLY 959 Ca 0.26 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.29 3bsx n GLY 959 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3bsx n HIS 960 N -2.00 0.00 -0.06 1.61 8.25 0.11 -4.93 115.22 118.20 3bsx n HIS 960 Ca 0.00 -0.12 -0.11 0.00 -0.26 0.00 0.00 57.72 57.23 3bsx n HIS 960 Cb 0.00 -0.04 -0.05 0.00 1.12 0.00 0.00 29.99 31.02 3bsx n HIS 960 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 3bsx h VAL 961 N 6.83 1.21 -0.71 1.59 2.07 -1.90 -1.75 116.25 123.59 3bsx h VAL 961 Ca -0.06 -0.68 -0.05 0.00 0.82 0.00 0.00 66.70 66.73 3bsx h VAL 961 Cb 1.49 1.28 -0.03 0.00 -1.52 0.00 0.00 31.29 32.51 3bsx h VAL 961 CO 0.02 0.21 0.25 -0.07 0.02 0.00 0.00 177.57 178.00 3bsx h LEU 962 N 0.13 1.00 -0.13 2.57 4.07 -1.91 -1.04 115.31 119.99 3bsx h LEU 962 Ca 0.06 -0.19 0.00 0.00 0.08 0.00 0.00 57.88 57.83 3bsx h LEU 962 Cb 0.28 -0.26 -0.01 0.00 1.08 0.00 0.00 40.66 41.75 3bsx h LEU 962 CO 0.00 0.92 0.09 0.50 -1.08 0.00 0.00 178.44 178.87 3bsx h LYS 963 N 1.02 0.17 -0.40 1.13 3.64 -1.90 -2.66 116.57 117.57 3bsx h LYS 963 Ca 0.23 -0.01 -0.13 0.00 -1.27 0.00 0.00 60.65 59.47 3bsx h LYS 963 Cb 0.25 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.02 3bsx h LYS 963 CO -0.01 0.12 -0.27 0.00 -2.27 0.00 0.00 179.45 177.01 3bsx h VAL 965 N 0.71 1.00 -0.02 0.00 2.07 -1.10 0.36 116.25 119.27 3bsx h VAL 965 Ca 0.09 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.31 3bsx h VAL 965 Cb 0.81 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.65 3bsx h VAL 965 CO 0.07 0.16 -0.04 0.29 0.02 0.00 0.00 177.57 178.07 3bsx n LYS 966 N -4.50 1.79 -3.39 1.57 5.02 -1.01 -4.07 118.16 113.56 3bsx n LYS 966 Ca 0.13 -1.22 -0.38 0.00 -2.02 0.00 0.00 58.31 54.82 3bsx n LYS 966 Cb 0.27 -1.47 -0.06 0.00 -0.02 0.00 0.00 35.03 33.74 3bsx n LYS 966 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3bsx s ASP 967 N -2.05 6.82 0.44 4.39 -1.08 -1.02 -4.99 116.67 119.18 3bsx s ASP 967 Ca 0.33 0.98 0.13 0.00 -0.52 0.00 0.00 52.55 53.47 3bsx s ASP 967 Cb 0.20 -2.29 0.97 0.00 -1.46 0.00 0.00 42.92 40.35 3bsx s ASP 967 CO 0.35 0.21 2.00 0.06 0.52 0.00 0.00 175.17 178.30 3bsx h GLN 968 N 5.35 0.11 0.00 4.34 3.07 -1.89 -1.63 115.11 124.46 3bsx h GLN 968 Ca -0.48 -0.02 -0.29 0.00 0.09 0.00 0.00 58.65 57.95 3bsx h GLN 968 Cb 1.20 -0.02 -0.04 0.00 0.08 0.00 0.00 27.48 28.70 3bsx h GLN 968 CO 0.67 0.22 -1.60 0.09 0.09 0.00 0.00 178.83 178.30 3bsx n ASN 969 N -4.36 1.89 -0.08 0.06 3.02 -1.26 -4.55 115.26 109.97 3bsx n ASN 969 Ca -0.02 0.39 0.08 0.00 -0.03 0.00 0.00 54.58 55.01 3bsx n ASN 969 Cb 0.21 -0.93 0.44 0.00 -0.61 0.00 0.00 39.78 38.89 3bsx n ASN 969 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 3bsx h GLY 970 N -0.94 0.68 1.81 7.41 0.00 -1.35 -2.73 103.07 107.94 3bsx h GLY 970 Ca -0.44 -0.22 -0.06 0.00 0.00 0.00 0.00 47.33 46.61 3bsx h GLY 970 CO -0.26 0.17 -0.21 3.45 0.00 0.00 0.00 176.54 179.69 3bsx h ASN 971 N 0.54 0.22 0.73 0.19 7.08 0.73 -1.92 115.58 123.15 3bsx h ASN 971 Ca 0.25 -0.06 -0.10 0.00 -3.08 0.00 0.00 56.30 53.31 3bsx h ASN 971 Cb 0.28 -0.06 -0.01 0.00 -2.08 0.00 0.00 38.32 36.45 3bsx h ASN 971 CO -0.07 0.44 -0.50 0.45 -2.08 0.00 0.00 177.43 175.67 3bsx h HIS 972 N 0.21 0.00 -0.01 4.14 3.86 -1.75 -2.07 115.15 119.53 3bsx h HIS 972 Ca 0.04 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.24 3bsx h HIS 972 Cb 0.49 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.96 3bsx h HIS 972 CO 0.01 0.50 -0.01 0.28 0.86 0.00 0.00 177.93 179.57 3bsx h VAL 973 N 0.00 1.33 -0.80 2.45 2.07 -1.48 -1.04 116.25 118.79 3bsx h VAL 973 Ca -0.00 -0.99 0.14 0.00 0.82 0.00 0.00 66.70 66.67 3bsx h VAL 973 Cb 1.00 1.97 -0.09 0.00 -1.52 0.00 0.00 31.29 32.65 3bsx h VAL 973 CO 0.06 0.26 0.37 0.58 0.02 0.00 0.00 177.57 178.87 3bsx h VAL 974 N -0.38 0.70 -0.29 2.57 2.07 -1.19 -0.50 116.25 119.24 3bsx h VAL 974 Ca 0.00 -0.18 -0.16 0.00 0.82 0.00 0.00 66.70 67.18 3bsx h VAL 974 Cb 0.43 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.31 3bsx h VAL 974 CO 0.00 0.10 -0.45 1.56 0.02 0.00 0.00 177.57 178.80 3bsx h GLN 975 N 0.54 0.74 -0.81 1.57 4.20 -1.34 -1.79 115.11 118.22 3bsx h GLN 975 Ca 0.44 -0.41 -0.03 0.00 0.06 0.00 0.00 58.65 58.71 3bsx h GLN 975 Cb 0.63 0.02 -0.04 0.00 0.30 0.00 0.00 27.48 28.40 3bsx h GLN 975 CO -0.38 1.03 0.40 -0.22 -0.67 0.00 0.00 178.83 179.00 3bsx h LYS 976 N 0.59 1.15 0.11 1.46 1.63 -0.49 -0.03 116.57 121.00 3bsx h LYS 976 Ca 0.04 -0.16 0.01 0.00 -0.85 0.00 0.00 60.65 59.70 3bsx h LYS 976 Cb 1.00 -0.21 -0.03 0.00 -0.60 0.00 0.00 32.23 32.40 3bsx h LYS 976 CO 0.10 0.87 -0.20 0.00 -3.45 0.00 0.00 179.45 176.77 3bsx h ILE 978 N -0.38 0.83 0.00 0.00 2.04 -1.13 -0.57 117.51 118.30 3bsx h ILE 978 Ca 0.03 -0.22 -0.06 0.00 1.00 0.00 0.00 64.86 65.60 3bsx h ILE 978 Cb 0.40 0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.60 3bsx h ILE 978 CO -0.11 0.12 -0.30 -0.33 0.00 0.00 0.00 178.15 177.53 3bsx h GLU 979 N 0.65 0.00 0.00 2.37 5.08 -0.58 -3.41 114.58 118.69 3bsx h GLU 979 Ca 0.39 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.75 3bsx h GLU 979 Cb 0.43 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.68 3bsx h GLU 979 CO -0.29 0.30 -0.88 0.00 -1.00 0.00 0.00 179.01 177.14 3bsx s VAL 981 N -1.88 4.50 0.00 0.00 1.01 -0.25 -5.00 120.40 118.79 3bsx s VAL 981 Ca 0.00 1.36 -0.37 0.00 0.00 0.00 0.00 61.98 62.96 3bsx s VAL 981 Cb 0.00 -3.84 -0.16 0.00 0.00 0.00 0.00 36.38 32.37 3bsx s VAL 981 CO 0.00 0.12 1.43 0.00 0.00 0.00 0.00 175.10 176.65 3bsx n GLN 982 N 0.48 1.15 0.17 2.72 6.02 -1.26 -4.87 117.38 121.79 3bsx n GLN 982 Ca -0.00 0.42 0.04 0.00 -0.01 0.00 0.00 57.00 57.44 3bsx n GLN 982 Cb 0.51 -2.07 0.44 0.00 1.02 0.00 0.00 30.24 30.15 3bsx n GLN 982 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 3bsx h PRO 983 N 5.15 0.12 0.00 -1.09 0.13 -1.93 -2.78 132.00 131.61 3bsx h PRO 983 Ca -0.47 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 3bsx h PRO 983 Cb 1.33 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.44 3bsx h PRO 983 CO 0.82 0.28 0.00 -0.56 -0.23 0.00 0.00 178.00 178.31 3bsx h GLN 984 N 0.12 0.00 -0.09 0.86 -0.00 -2.00 -2.80 115.11 111.20 3bsx h GLN 984 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.67 3bsx h GLN 984 Cb 0.35 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.83 3bsx h GLN 984 CO 0.02 0.00 0.00 -1.13 -0.00 0.00 0.00 178.83 177.72 3bsx n SER 985 N -2.57 2.45 -0.84 0.06 3.41 -1.05 -4.19 113.62 110.89 3bsx n SER 985 Ca -0.01 -1.81 0.09 0.00 -0.26 0.00 0.00 58.87 56.88 3bsx n SER 985 Cb 0.13 -0.05 0.15 0.00 -0.26 0.00 0.00 64.21 64.18 3bsx n SER 985 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3bsx n LEU 986 N 0.89 2.91 -0.32 1.04 4.32 -1.06 -4.72 117.00 120.07 3bsx n LEU 986 Ca 0.17 -1.44 0.29 0.00 -0.02 0.00 0.00 56.01 55.01 3bsx n LEU 986 Cb 0.50 -0.16 0.51 0.00 -1.62 0.00 0.00 43.42 42.64 3bsx n LEU 986 CO 0.15 0.62 0.92 0.00 -1.22 0.00 0.00 177.39 177.86 3bsx n GLN 987 N 1.05 -0.04 -0.03 3.23 1.13 -1.26 0.75 117.38 122.21 3bsx n GLN 987 Ca 0.14 1.07 0.08 0.00 -1.94 0.00 0.00 57.00 56.35 3bsx n GLN 987 Cb 0.48 -2.00 0.47 0.00 0.11 0.00 0.00 30.24 29.29 3bsx n GLN 987 CO 0.00 0.00 0.00 0.27 -1.44 0.00 0.00 177.06 175.89 3bsx h PHE 988 N 0.00 0.46 0.90 1.08 -5.15 -1.94 0.63 116.94 112.93 3bsx h PHE 988 Ca 0.70 0.01 -0.04 0.00 -0.20 0.00 0.00 57.97 58.44 3bsx h PHE 988 Cb 2.04 -0.15 0.01 0.00 0.22 0.00 0.00 35.95 38.06 3bsx h PHE 988 CO -0.01 0.26 -0.43 0.82 -2.00 0.00 0.00 178.31 176.95 3bsx h ILE 989 N 0.47 0.12 -0.90 0.88 2.04 -0.05 -1.86 117.51 118.21 3bsx h ILE 989 Ca 0.21 -0.00 0.18 0.00 1.00 0.00 0.00 64.86 66.25 3bsx h ILE 989 Cb 0.22 0.12 -0.11 0.00 -0.74 0.00 0.00 36.82 36.31 3bsx h ILE 989 CO -0.05 0.00 0.47 0.40 0.00 0.00 0.00 178.15 178.97 3bsx h ILE 990 N -1.21 0.64 -0.15 -0.67 1.08 -1.32 -2.10 117.51 113.78 3bsx h ILE 990 Ca -0.12 -0.20 0.02 0.00 -0.39 0.00 0.00 64.86 64.16 3bsx h ILE 990 Cb 0.92 0.00 -0.02 0.00 -3.07 0.00 0.00 36.82 34.66 3bsx h ILE 990 CO 0.20 0.11 0.04 0.44 -0.69 0.00 0.00 178.15 178.25 3bsx h ASP 991 N 0.58 0.03 0.51 1.72 3.45 -0.91 -2.98 116.42 118.82 3bsx h ASP 991 Ca 0.53 0.02 0.00 0.00 0.43 0.00 0.00 57.03 58.01 3bsx h ASP 991 Cb 0.86 0.02 0.00 0.00 -0.56 0.00 0.00 39.33 39.65 3bsx h ASP 991 CO -0.42 0.04 0.00 0.00 -1.57 0.00 0.00 179.24 177.29 3bsx h ALA 992 N 1.10 1.00 0.00 3.45 0.00 -0.65 -2.33 119.26 121.84 3bsx h ALA 992 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3bsx h ALA 992 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3bsx h ALA 992 CO -0.08 0.00 -0.32 1.19 0.00 0.00 0.00 179.25 180.04 3bsx n PHE 993 N -2.94 0.50 -1.67 0.00 3.01 -1.02 -4.71 117.46 110.63 3bsx n PHE 993 Ca -0.01 0.15 -0.43 0.00 1.01 0.00 0.00 57.45 58.16 3bsx n PHE 993 Cb 0.18 -0.66 -0.03 0.00 -0.01 0.00 0.00 39.48 38.96 3bsx n PHE 993 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 3bsx n LYS 994 N -1.97 2.69 -0.29 -1.08 4.81 -0.88 -1.00 118.16 120.44 3bsx n LYS 994 Ca 0.05 0.98 0.00 0.00 -0.87 0.00 0.00 58.31 58.47 3bsx n LYS 994 Cb 0.41 -2.89 0.00 0.00 0.02 0.00 0.00 35.03 32.57 3bsx n LYS 994 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3bsx n GLY 995 N 4.37 2.06 0.00 3.14 0.00 -1.26 -4.84 105.19 108.66 3bsx n GLY 995 Ca 0.20 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.30 3bsx n GLY 995 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3bsx n GLN 996 N -2.00 0.93 -0.29 1.61 1.13 -0.17 -4.69 117.38 113.89 3bsx n GLN 996 Ca 0.00 -0.07 0.16 0.00 -1.94 0.00 0.00 57.00 55.16 3bsx n GLN 996 Cb 0.00 -1.37 0.44 0.00 0.11 0.00 0.00 30.24 29.41 3bsx n GLN 996 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 3bsx h VAL 997 N 0.00 0.70 0.31 5.09 2.07 -1.81 -1.17 116.25 121.44 3bsx h VAL 997 Ca 0.00 -0.19 -0.02 0.00 0.82 0.00 0.00 66.70 67.31 3bsx h VAL 997 Cb 0.58 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.45 3bsx h VAL 997 CO 0.00 0.10 -0.15 0.15 0.02 0.00 0.00 177.57 177.69 3bsx h PHE 998 N 0.56 -0.39 -0.68 1.57 3.04 -1.90 -1.92 116.94 117.22 3bsx h PHE 998 Ca 0.51 -0.01 0.09 0.00 3.98 0.00 0.00 57.97 62.54 3bsx h PHE 998 Cb 1.05 0.13 -0.07 0.00 2.56 0.00 0.00 35.95 39.62 3bsx h PHE 998 CO -0.00 -0.09 0.33 0.00 -2.02 0.00 0.00 178.31 176.53 3bsx h ALA 999 N -0.09 0.92 0.00 2.41 0.00 -1.58 -2.26 119.26 118.66 3bsx h ALA 999 Ca -0.04 0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 3bsx h ALA 999 Cb 0.47 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 3bsx h ALA 999 CO 0.07 -0.07 -0.52 -0.07 0.00 0.00 0.00 179.25 178.66 3bsx h LEU 1000N 0.57 0.00 -0.30 0.00 3.38 -1.39 -2.75 115.31 114.82 3bsx h LEU 1000Ca 0.33 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.26 3bsx h LEU 1000Cb 0.34 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 3bsx h LEU 1000CO -0.26 0.52 -0.19 0.28 0.09 0.00 0.00 178.44 178.88 3bsx h SER 1001N 0.00 0.00 -0.29 -0.43 0.02 -1.02 -0.31 113.55 111.52 3bsx h SER 1001Ca -0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 3bsx h SER 1001Cb 1.32 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.86 3bsx h SER 1001CO 0.07 0.19 0.00 0.35 -1.14 0.00 0.00 176.83 176.30 3bsx n THR 1002N -3.18 0.36 -3.55 -2.27 -2.24 -0.88 -2.43 114.28 100.10 3bsx n THR 1002Ca 0.02 -0.60 -0.38 0.00 -2.27 0.00 0.00 64.05 60.83 3bsx n THR 1002Cb 0.56 0.84 -0.06 0.00 -2.10 0.00 0.00 70.33 69.57 3bsx n THR 1002CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 3bsx s HIS 1003N -1.64 3.69 0.48 4.78 5.04 -1.04 -4.84 115.29 121.77 3bsx s HIS 1003Ca 0.36 0.91 0.15 0.00 -1.54 0.00 0.00 55.06 54.94 3bsx s HIS 1003Cb 0.21 -2.25 1.16 0.00 0.04 0.00 0.00 32.58 31.73 3bsx s HIS 1003CO 0.30 0.62 2.07 -1.00 -2.34 0.00 0.00 174.74 174.39 3bsx h PRO 1004N 4.91 0.20 0.01 2.88 0.13 -1.91 -1.65 132.00 136.57 3bsx h PRO 1004Ca -0.51 -0.01 -0.39 0.00 -0.87 0.00 0.00 66.00 64.21 3bsx h PRO 1004Cb 1.22 -0.04 -0.06 0.00 0.13 0.00 0.00 31.00 32.24 3bsx h PRO 1004CO 0.62 0.13 -2.43 0.66 -0.23 0.00 0.00 178.00 176.75 3bsx n TYR 1005N -4.48 0.13 -0.31 1.56 0.53 -1.26 -4.44 117.16 108.88 3bsx n TYR 1005Ca 0.03 0.03 0.18 0.00 -1.02 0.00 0.00 57.90 57.12 3bsx n TYR 1005Cb 0.23 -1.02 0.44 0.00 -1.03 0.00 0.00 39.34 37.96 3bsx n TYR 1005CO 0.00 0.00 0.00 0.78 -1.02 0.00 0.00 176.86 176.62 3bsx h GLY 1006N 1.58 1.35 1.76 2.72 0.00 -1.62 -1.56 103.07 107.30 3bsx h GLY 1006Ca -0.58 -0.26 -0.07 0.00 0.00 0.00 0.00 47.33 46.42 3bsx h GLY 1006CO -0.11 -0.08 -0.22 0.00 0.00 0.00 0.00 176.54 176.13 3bsx h ARG 1008N 0.26 0.57 -0.41 0.00 2.47 -1.51 -2.51 114.38 113.25 3bsx h ARG 1008Ca 0.04 -0.20 -0.02 0.00 -1.26 0.00 0.00 59.98 58.55 3bsx h ARG 1008Cb 0.54 -0.04 -0.02 0.00 -1.65 0.00 0.00 29.97 28.80 3bsx h ARG 1008CO 0.04 0.73 0.18 0.28 0.56 0.00 0.00 179.97 181.76 3bsx h VAL 1009N 0.36 1.19 0.02 2.04 2.07 -1.28 -2.46 116.25 118.18 3bsx h VAL 1009Ca 0.08 -0.55 0.03 0.00 0.82 0.00 0.00 66.70 67.08 3bsx h VAL 1009Cb 0.49 0.80 -0.04 0.00 -1.52 0.00 0.00 31.29 31.02 3bsx h VAL 1009CO 0.02 0.21 -0.27 0.40 0.02 0.00 0.00 177.57 177.95 3bsx h ILE 1010N 0.51 0.40 -0.93 4.57 1.08 -1.29 -0.98 117.51 120.87 3bsx h ILE 1010Ca 0.14 0.00 0.17 0.00 -0.39 0.00 0.00 64.86 64.78 3bsx h ILE 1010Cb 0.16 0.40 -0.08 0.00 -3.07 0.00 0.00 36.82 34.22 3bsx h ILE 1010CO -0.01 0.00 0.60 1.56 -0.69 0.00 0.00 178.15 179.60 3bsx h GLN 1011N -0.42 0.62 -0.20 2.37 4.20 -1.31 -0.31 115.11 120.06 3bsx h GLN 1011Ca 0.06 -0.04 -0.03 0.00 0.06 0.00 0.00 58.65 58.70 3bsx h GLN 1011Cb 0.50 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.13 3bsx h GLN 1011CO -0.22 0.41 0.02 0.00 -0.67 0.00 0.00 178.83 178.37 3bsx h ARG 1012N 0.64 0.33 -0.47 1.46 2.47 -0.93 -2.85 114.38 115.04 3bsx h ARG 1012Ca 0.49 -0.09 0.09 0.00 -1.26 0.00 0.00 59.98 59.21 3bsx h ARG 1012Cb 0.90 -0.04 -0.09 0.00 -1.65 0.00 0.00 29.97 29.10 3bsx h ARG 1012CO -0.25 0.50 -0.09 0.82 0.56 0.00 0.00 179.97 181.51 3bsx h ILE 1013N 0.11 0.55 0.00 2.04 2.04 -0.20 0.81 117.51 122.86 3bsx h ILE 1013Ca 0.06 -0.01 0.00 0.00 1.00 0.00 0.00 64.86 65.91 3bsx h ILE 1013Cb 0.33 0.53 0.00 0.00 -0.74 0.00 0.00 36.82 36.95 3bsx h ILE 1013CO 0.01 0.00 0.00 0.18 0.00 0.00 0.00 178.15 178.34 3bsx n LEU 1014N -5.32 0.29 -0.08 1.44 4.77 -0.22 -2.10 117.00 115.77 3bsx n LEU 1014Ca 0.04 0.62 -0.11 0.00 -0.03 0.00 0.00 56.01 56.52 3bsx n LEU 1014Cb 0.25 -0.63 -0.15 0.00 -2.33 0.00 0.00 43.42 40.56 3bsx n LEU 1014CO 0.13 -0.64 -1.03 -0.62 -1.33 0.00 0.00 177.39 173.90 3bsx n GLU 1015N -1.87 0.68 0.00 3.23 1.02 0.08 -4.87 120.64 118.90 3bsx n GLU 1015Ca 0.00 0.09 0.00 0.00 -0.02 0.00 0.00 57.16 57.23 3bsx n GLU 1015Cb 0.06 -1.59 0.00 0.00 -0.02 0.00 0.00 31.44 29.89 3bsx n GLU 1015CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 3bsx n HIS 1016N -2.91 0.00 -1.68 -0.32 8.25 -0.07 -5.03 115.22 113.46 3bsx n HIS 1016Ca -0.31 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 56.73 3bsx n HIS 1016Cb 1.11 0.05 -0.00 0.00 1.12 0.00 0.00 29.99 32.27 3bsx n HIS 1016CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3bsx s LEU 1018N -0.83 0.42 0.26 0.00 1.43 -1.26 -4.45 118.68 114.25 3bsx s LEU 1018Ca 0.57 1.38 -0.03 0.00 -1.03 0.00 0.00 54.13 55.02 3bsx s LEU 1018Cb -0.58 -3.19 0.33 0.00 0.03 0.00 0.00 46.19 42.78 3bsx s LEU 1018CO 0.61 -4.46 1.82 -0.65 0.23 0.00 0.00 176.35 173.91 3bsx h PRO 1019N -2.80 0.95 0.00 1.29 0.11 -1.99 0.28 132.00 129.85 3bsx h PRO 1019Ca -0.60 -0.18 0.00 0.00 0.11 0.00 0.00 66.00 65.33 3bsx h PRO 1019Cb 1.34 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3bsx h PRO 1019CO 0.48 0.81 0.00 -0.40 -0.21 0.00 0.00 178.00 178.68 3bsx n ASP 1020N -4.28 0.20 -0.07 -2.05 5.75 -1.26 -2.16 116.55 112.68 3bsx n ASP 1020Ca 0.05 0.54 -0.19 0.00 -0.01 0.00 0.00 54.79 55.19 3bsx n ASP 1020Cb 0.20 -0.59 -0.13 0.00 -1.03 0.00 0.00 41.12 39.57 3bsx n ASP 1020CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3bsx n GLN 1021N -1.71 0.70 0.24 0.11 6.02 -0.47 -4.38 117.38 117.89 3bsx n GLN 1021Ca 0.04 0.20 0.13 0.00 -0.01 0.00 0.00 57.00 57.36 3bsx n GLN 1021Cb 0.21 -1.61 0.48 0.00 1.02 0.00 0.00 30.24 30.34 3bsx n GLN 1021CO 0.00 0.00 0.00 1.79 -1.01 0.00 0.00 177.06 177.84 3bsx h THR 1022N 0.03 0.19 0.43 5.09 1.35 -0.50 -3.36 112.91 116.14 3bsx h THR 1022Ca -0.50 -0.87 -0.01 0.00 -0.55 0.00 0.00 66.41 64.47 3bsx h THR 1022Cb 1.98 1.74 -0.01 0.00 -1.73 0.00 0.00 68.15 70.13 3bsx h THR 1022CO -0.00 0.08 -0.27 0.25 -0.25 0.00 0.00 175.52 175.33 3bsx h LEU 1023N 0.00 -0.69 -0.95 3.87 5.85 -1.64 0.12 115.31 121.87 3bsx h LEU 1023Ca -0.00 0.04 0.05 0.00 0.84 0.00 0.00 57.88 58.81 3bsx h LEU 1023Cb 0.73 0.21 -0.06 0.00 0.37 0.00 0.00 40.66 41.90 3bsx h LEU 1023CO 0.01 -0.43 0.62 1.55 -0.34 0.00 0.00 178.44 179.85 3bsx h PRO 1024N -0.68 1.13 -0.11 5.25 0.13 -1.82 -1.29 132.00 134.62 3bsx h PRO 1024Ca -0.05 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 65.02 3bsx h PRO 1024Cb 0.56 -0.25 -0.01 0.00 0.13 0.00 0.00 31.00 31.43 3bsx h PRO 1024CO 0.04 0.75 0.07 0.82 -0.23 0.00 0.00 178.00 179.45 3bsx h ILE 1025N 1.16 1.04 -0.07 -3.56 1.08 -1.66 -2.55 117.51 112.96 3bsx h ILE 1025Ca 0.39 -0.09 0.02 0.00 -0.39 0.00 0.00 64.86 64.79 3bsx h ILE 1025Cb 0.07 0.91 -0.02 0.00 -3.07 0.00 0.00 36.82 34.71 3bsx h ILE 1025CO -0.14 0.04 -0.07 -0.07 -0.69 0.00 0.00 178.15 177.22 3bsx h LEU 1026N 0.13 -0.21 -1.93 1.44 3.38 -0.60 -2.06 115.31 115.45 3bsx h LEU 1026Ca 0.04 0.04 0.16 0.00 0.09 0.00 0.00 57.88 58.22 3bsx h LEU 1026Cb 0.00 0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 3bsx h LEU 1026CO -0.01 -0.10 0.43 -0.33 0.09 0.00 0.00 178.44 178.53 3bsx h GLU 1027N -0.09 0.06 0.07 1.13 5.08 -1.02 0.40 114.58 120.21 3bsx h GLU 1027Ca 0.05 -0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.19 3bsx h GLU 1027Cb 0.16 -0.01 0.02 0.00 0.50 0.00 0.00 28.75 29.42 3bsx h GLU 1027CO -0.12 0.04 -0.90 0.93 -1.00 0.00 0.00 179.01 177.96 3bsx h GLU 1028N 0.06 0.49 -0.83 2.33 5.08 -1.24 -3.04 114.58 117.44 3bsx h GLU 1028Ca 0.29 -0.62 0.11 0.00 -1.00 0.00 0.00 59.36 58.15 3bsx h GLU 1028Cb 1.06 0.20 -0.06 0.00 0.50 0.00 0.00 28.75 30.45 3bsx h GLU 1028CO -0.02 1.25 0.54 -0.07 -1.00 0.00 0.00 179.01 179.70 3bsx h LEU 1029N 0.02 0.65 -0.78 1.33 3.38 -0.34 -1.88 115.31 117.68 3bsx h LEU 1029Ca -0.13 0.02 -0.13 0.00 0.09 0.00 0.00 57.88 57.74 3bsx h LEU 1029Cb 1.61 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 42.24 3bsx h LEU 1029CO 0.17 0.37 -0.48 0.45 0.09 0.00 0.00 178.44 179.04 3bsx h HIS 1030N 0.71 0.37 -0.07 1.13 3.86 -1.07 -1.34 115.15 118.74 3bsx h HIS 1030Ca 0.39 -0.12 -0.01 0.00 -1.16 0.00 0.00 60.37 59.48 3bsx h HIS 1030Cb 0.55 -0.08 -0.01 0.00 1.06 0.00 0.00 27.41 28.94 3bsx h HIS 1030CO -0.00 0.73 -0.01 1.96 0.86 0.00 0.00 177.93 181.47 3bsx h GLN 1031N 0.24 0.10 -0.02 2.45 4.20 -1.22 -3.28 115.11 117.58 3bsx h GLN 1031Ca 0.01 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3bsx h GLN 1031Cb 0.94 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.70 3bsx h GLN 1031CO 0.08 0.13 0.00 0.72 -0.67 0.00 0.00 178.83 179.09 3bsx n HIS 1032N -4.46 0.03 -0.34 2.96 8.25 -1.09 -4.81 115.22 115.78 3bsx n HIS 1032Ca -0.02 -0.59 0.19 0.00 -0.26 0.00 0.00 57.72 57.04 3bsx n HIS 1032Cb 0.14 -0.07 0.40 0.00 1.12 0.00 0.00 29.99 31.58 3bsx n HIS 1032CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3bsx h THR 1033N 0.12 0.44 -0.16 1.59 1.03 -1.31 -0.28 112.91 114.33 3bsx h THR 1033Ca 0.00 -0.16 0.03 0.00 -0.01 0.00 0.00 66.41 66.28 3bsx h THR 1033Cb 0.61 -0.06 -0.03 0.00 -1.07 0.00 0.00 68.15 67.60 3bsx h THR 1033CO 0.00 0.08 -0.06 -0.08 -0.01 0.00 0.00 175.52 175.46 3bsx h GLU 1034N 0.46 -0.03 -0.08 0.00 4.81 -1.88 -0.58 114.58 117.28 3bsx h GLU 1034Ca 0.66 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.86 3bsx h GLU 1034Cb 1.36 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.75 3bsx h GLU 1034CO -0.54 -0.02 -0.07 1.96 -0.73 0.00 0.00 179.01 179.61 3bsx h GLN 1035N -0.03 0.19 -0.77 1.92 7.50 -1.49 -3.28 115.11 119.15 3bsx h GLN 1035Ca 0.08 -0.10 0.15 0.00 0.50 0.00 0.00 58.65 59.28 3bsx h GLN 1035Cb 0.16 0.00 -0.10 0.00 0.05 0.00 0.00 27.48 27.59 3bsx h GLN 1035CO -0.18 0.61 0.30 -0.07 -1.50 0.00 0.00 178.83 177.99 3bsx h LEU 1036N -0.22 0.27 -2.47 1.46 3.38 -0.99 -1.05 115.31 115.68 3bsx h LEU 1036Ca 0.01 0.11 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 3bsx h LEU 1036Cb 0.58 0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.42 3bsx h LEU 1036CO 0.02 0.09 -0.02 -0.37 0.09 0.00 0.00 178.44 178.25 3bsx h VAL 1037N 0.43 0.40 -0.04 1.22 -1.51 -1.16 -0.03 116.25 115.56 3bsx h VAL 1037Ca 0.43 -0.11 0.00 0.00 -1.23 0.00 0.00 66.70 65.79 3bsx h VAL 1037Cb 0.66 1.07 0.00 0.00 -2.13 0.00 0.00 31.29 30.90 3bsx h VAL 1037CO -0.42 0.02 0.00 0.00 -1.23 0.00 0.00 177.57 175.94 3bsx n GLN 1038N -3.61 2.32 -3.17 5.19 6.02 -0.44 -1.72 117.38 121.97 3bsx n GLN 1038Ca -0.03 -1.93 -0.36 0.00 -0.01 0.00 0.00 57.00 54.67 3bsx n GLN 1038Cb 0.11 -1.46 -0.06 0.00 1.02 0.00 0.00 30.24 29.85 3bsx n GLN 1038CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 3bsx s ASP 1039N -1.98 7.03 0.55 1.08 2.15 -0.80 -4.81 116.67 119.90 3bsx s ASP 1039Ca 0.28 1.34 0.24 0.00 0.43 0.00 0.00 52.55 54.85 3bsx s ASP 1039Cb 0.20 -2.39 1.47 0.00 -0.30 0.00 0.00 42.92 41.90 3bsx s ASP 1039CO 0.30 0.09 2.07 0.06 -0.17 0.00 0.00 175.17 177.52 3bsx h GLN 1040N 3.64 0.00 0.00 4.34 3.07 -1.92 -2.46 115.11 121.78 3bsx h GLN 1040Ca -0.48 0.00 -0.17 0.00 0.09 0.00 0.00 58.65 58.09 3bsx h GLN 1040Cb 1.20 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 28.73 3bsx h GLN 1040CO 0.65 0.00 -1.63 0.66 0.09 0.00 0.00 178.83 178.61 3bsx n TYR 1041N -4.19 0.00 0.30 0.06 4.02 -1.26 -4.68 117.16 111.40 3bsx n TYR 1041Ca 0.03 0.00 0.16 0.00 -0.01 0.00 0.00 57.90 58.09 3bsx n TYR 1041Cb 0.37 -0.42 0.95 0.00 -0.02 0.00 0.00 39.34 40.22 3bsx n TYR 1041CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 3bsx h GLY 1042N 0.67 0.00 1.28 2.72 0.00 -1.46 -1.93 103.07 104.35 3bsx h GLY 1042Ca -0.25 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.02 3bsx h GLY 1042CO -0.06 0.00 0.09 3.45 0.00 0.00 0.00 176.54 180.02 3bsx h ASN 1043N 0.00 0.84 -0.30 0.19 7.08 -0.53 -2.22 115.58 120.65 3bsx h ASN 1043Ca -0.00 -0.18 -0.04 0.00 -3.08 0.00 0.00 56.30 53.00 3bsx h ASN 1043Cb 0.06 -0.22 -0.01 0.00 -2.08 0.00 0.00 38.32 36.07 3bsx h ASN 1043CO 0.00 0.85 0.01 1.88 -2.08 0.00 0.00 177.43 178.10 3bsx h TYR 1044N 0.84 0.56 0.03 4.14 -1.99 -1.63 -0.22 116.97 118.71 3bsx h TYR 1044Ca 0.18 -0.09 0.02 0.00 2.00 0.00 0.00 58.73 60.84 3bsx h TYR 1044Cb 0.37 -0.15 -0.05 0.00 2.00 0.00 0.00 36.73 38.90 3bsx h TYR 1044CO 0.02 0.64 -0.47 0.28 -0.00 0.00 0.00 178.16 178.63 3bsx h VAL 1045N 0.31 0.08 -1.00 -2.88 2.07 -1.50 -0.07 116.25 113.27 3bsx h VAL 1045Ca 0.09 0.00 0.21 0.00 0.82 0.00 0.00 66.70 67.82 3bsx h VAL 1045Cb 0.41 0.08 -0.10 0.00 -1.52 0.00 0.00 31.29 30.15 3bsx h VAL 1045CO 0.01 0.00 0.62 0.40 0.02 0.00 0.00 177.57 178.62 3bsx h ILE 1046N -0.65 0.65 0.00 4.57 1.08 -1.35 -0.09 117.51 121.73 3bsx h ILE 1046Ca 0.03 -0.22 -0.05 0.00 -0.39 0.00 0.00 64.86 64.22 3bsx h ILE 1046Cb 0.70 -0.05 -0.01 0.00 -3.07 0.00 0.00 36.82 34.39 3bsx h ILE 1046CO -0.32 0.12 -0.24 1.56 -0.69 0.00 0.00 178.15 178.58 3bsx h GLN 1047N 0.65 0.00 0.36 2.37 4.20 -0.24 -3.00 115.11 119.45 3bsx h GLN 1047Ca 0.58 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 59.27 3bsx h GLN 1047Cb 1.07 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.85 3bsx h GLN 1047CO -0.36 0.24 -0.17 1.25 -0.67 0.00 0.00 178.83 179.11 3bsx h HIS 1048N 0.00 -0.45 -0.84 2.96 2.76 0.86 -1.23 115.15 119.22 3bsx h HIS 1048Ca -0.00 -0.01 0.19 0.00 -2.20 0.00 0.00 60.37 58.35 3bsx h HIS 1048Cb 0.55 0.15 -0.12 0.00 1.55 0.00 0.00 27.41 29.54 3bsx h HIS 1048CO 0.00 -0.18 0.31 0.28 -1.30 0.00 0.00 177.93 177.03 3bsx h VAL 1049N -0.66 0.49 0.00 5.26 2.07 -1.48 -0.64 116.25 121.29 3bsx h VAL 1049Ca -0.05 -0.12 -0.04 0.00 0.82 0.00 0.00 66.70 67.31 3bsx h VAL 1049Cb 0.47 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.34 3bsx h VAL 1049CO 0.08 0.06 -0.19 -0.07 0.02 0.00 0.00 177.57 177.48 3bsx h LEU 1050N 0.36 0.00 0.00 2.57 3.38 -1.36 0.19 115.31 120.44 3bsx h LEU 1050Ca 0.50 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 58.22 3bsx h LEU 1050Cb 0.91 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.61 3bsx h LEU 1050CO -0.52 0.19 -1.76 -0.62 0.09 0.00 0.00 178.44 175.82 3bsx n GLU 1051N -3.37 0.64 0.00 1.13 1.02 -0.49 -4.69 120.64 114.88 3bsx n GLU 1051Ca 0.00 0.19 0.00 0.00 -0.02 0.00 0.00 57.16 57.33 3bsx n GLU 1051Cb 0.40 -1.73 0.00 0.00 -0.02 0.00 0.00 31.44 30.09 3bsx n GLU 1051CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 3bsx n HIS 1052N -2.90 0.00 -2.53 -0.32 8.25 -0.33 -5.10 115.22 112.29 3bsx n HIS 1052Ca -0.17 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.13 3bsx n HIS 1052Cb 0.98 0.00 0.08 0.00 1.12 0.00 0.00 29.99 32.17 3bsx n HIS 1052CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3bsx n GLY 1053N 0.06 0.75 3.78 -1.41 0.00 0.65 -4.99 105.19 104.03 3bsx n GLY 1053Ca 0.00 -2.02 -0.36 0.00 0.00 0.00 0.00 46.02 43.65 3bsx n GLY 1053CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3bsx s ARG 1054N -4.25 3.91 0.40 1.61 0.52 -1.26 -4.90 118.95 114.98 3bsx s ARG 1054Ca 0.46 1.51 0.14 0.00 -0.52 0.00 0.00 55.73 57.32 3bsx s ARG 1054Cb -0.03 -2.32 0.98 0.00 0.52 0.00 0.00 34.95 34.11 3bsx s ARG 1054CO 0.30 -0.36 1.89 -1.35 0.02 0.00 0.00 175.30 175.80 3bsx h PRO 1055N 2.00 0.49 -0.35 3.54 0.11 -1.97 0.43 132.00 136.25 3bsx h PRO 1055Ca -0.49 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 65.54 3bsx h PRO 1055Cb 1.23 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 32.21 3bsx h PRO 1055CO 0.60 0.32 0.02 1.05 -0.21 0.00 0.00 178.00 179.79 3bsx h GLU 1056N 0.50 0.54 -0.03 1.05 9.09 -2.00 -2.59 114.58 121.14 3bsx h GLU 1056Ca 0.42 -0.11 -0.25 0.00 0.05 0.00 0.00 59.36 59.47 3bsx h GLU 1056Cb 0.87 -0.08 0.01 0.00 -1.65 0.00 0.00 28.75 27.91 3bsx h GLU 1056CO -0.16 0.55 -0.96 -0.44 0.05 0.00 0.00 179.01 178.05 3bsx h ASP 1057N 0.52 0.80 -0.21 3.06 3.32 -1.29 -2.99 116.42 119.63 3bsx h ASP 1057Ca 0.11 -0.62 0.05 0.00 0.02 0.00 0.00 57.03 56.59 3bsx h ASP 1057Cb 0.30 -0.24 -0.05 0.00 0.22 0.00 0.00 39.33 39.56 3bsx h ASP 1057CO 0.01 1.42 -0.09 0.11 -1.72 0.00 0.00 179.24 178.96 3bsx h LYS 1058N 0.37 -0.06 -0.74 3.56 1.57 -1.40 -2.45 116.57 117.43 3bsx h LYS 1058Ca -0.10 0.00 0.07 0.00 -1.87 0.00 0.00 60.65 58.76 3bsx h LYS 1058Cb 1.60 0.01 -0.05 0.00 0.08 0.00 0.00 32.23 33.88 3bsx h LYS 1058CO 0.18 -0.04 0.49 0.77 -0.57 0.00 0.00 179.45 180.28 3bsx h SER 1059N -0.06 0.66 -0.06 0.86 0.02 -1.44 0.35 113.55 113.87 3bsx h SER 1059Ca 0.11 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.06 3bsx h SER 1059Cb 0.23 -0.13 -0.00 0.00 0.14 0.00 0.00 62.40 62.63 3bsx h SER 1059CO -0.25 0.42 -0.02 0.11 -1.14 0.00 0.00 176.83 175.94 3bsx h LYS 1060N 0.74 0.11 -0.44 3.45 1.57 -1.40 -0.45 116.57 120.15 3bsx h LYS 1060Ca 0.33 -0.05 0.04 0.00 -1.87 0.00 0.00 60.65 59.10 3bsx h LYS 1060Cb 0.31 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.58 3bsx h LYS 1060CO -0.11 0.46 0.22 0.82 -0.57 0.00 0.00 179.45 180.28 3bsx h ILE 1061N -0.24 0.97 -0.98 1.86 2.04 -0.94 -1.73 117.51 118.48 3bsx h ILE 1061Ca 0.01 -0.15 0.06 0.00 1.00 0.00 0.00 64.86 65.78 3bsx h ILE 1061Cb 0.42 0.48 -0.06 0.00 -0.74 0.00 0.00 36.82 36.92 3bsx h ILE 1061CO 0.01 0.08 0.64 0.58 0.00 0.00 0.00 178.15 179.46 3bsx h VAL 1062N 0.45 1.09 -0.45 1.67 2.07 -0.26 -1.41 116.25 119.42 3bsx h VAL 1062Ca 0.19 -0.40 -0.08 0.00 0.82 0.00 0.00 66.70 67.24 3bsx h VAL 1062Cb 0.09 -0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 29.68 3bsx h VAL 1062CO -0.13 0.21 -0.04 0.00 0.02 0.00 0.00 177.57 177.63 3bsx h ALA 1063N 1.46 1.09 -0.39 1.67 0.00 -0.44 -0.24 119.26 122.41 3bsx h ALA 1063Ca 0.42 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 3bsx h ALA 1063Cb 0.16 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3bsx h ALA 1063CO -0.16 0.57 0.15 0.93 0.00 0.00 0.00 179.25 180.74 3bsx h GLU 1064N 0.70 0.59 0.00 0.00 4.39 -0.54 -3.16 114.58 116.56 3bsx h GLU 1064Ca 0.13 -0.11 -0.05 0.00 0.34 0.00 0.00 59.36 59.67 3bsx h GLU 1064Cb 0.49 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.03 3bsx h GLU 1064CO 0.02 0.56 -0.26 0.82 -1.16 0.00 0.00 179.01 179.00 3bsx h ILE 1065N 0.49 0.76 -2.96 3.13 5.03 -0.93 -3.44 117.51 119.60 3bsx h ILE 1065Ca 0.13 -1.06 -0.52 0.00 -0.12 0.00 0.00 64.86 63.28 3bsx h ILE 1065Cb 0.19 1.66 0.07 0.00 -3.03 0.00 0.00 36.82 35.71 3bsx h ILE 1065CO -0.01 0.25 0.94 -0.60 -0.68 0.00 0.00 178.15 178.05 3bsx s ARG 1066N -3.90 4.14 0.00 2.37 6.06 -0.13 -1.52 118.95 125.96 3bsx s ARG 1066Ca -0.01 2.56 0.00 0.00 -2.50 0.00 0.00 55.73 55.78 3bsx s ARG 1066Cb 0.12 -3.06 0.00 0.00 0.06 0.00 0.00 34.95 32.07 3bsx s ARG 1066CO 0.65 -0.68 0.00 0.41 -2.50 0.00 0.00 175.30 173.18 3bsx n GLY 1067N 3.20 1.83 0.10 8.12 0.00 -1.26 -4.81 105.19 112.36 3bsx n GLY 1067Ca 0.12 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.18 3bsx n GLY 1067CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3bsx n ASN 1068N 0.00 1.64 -0.24 1.61 3.02 -0.58 -4.84 115.26 115.87 3bsx n ASN 1068Ca 0.00 -2.33 -0.05 0.00 -0.03 0.00 0.00 54.58 52.18 3bsx n ASN 1068Cb 0.00 -0.20 0.06 0.00 -0.61 0.00 0.00 39.78 39.03 3bsx n ASN 1068CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 3bsx h VAL 1069N 1.30 1.13 -0.01 2.41 2.07 -1.86 0.06 116.25 121.35 3bsx h VAL 1069Ca 0.00 -0.29 -0.00 0.00 0.82 0.00 0.00 66.70 67.22 3bsx h VAL 1069Cb 0.88 0.19 -0.00 0.00 -1.52 0.00 0.00 31.29 30.85 3bsx h VAL 1069CO 0.00 0.16 -0.00 0.25 0.02 0.00 0.00 177.57 177.99 3bsx h LEU 1070N 0.86 0.03 0.17 2.57 5.85 -1.92 0.22 115.31 123.08 3bsx h LEU 1070Ca 0.26 -0.39 -0.01 0.00 0.84 0.00 0.00 57.88 58.58 3bsx h LEU 1070Cb -0.04 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 40.98 3bsx h LEU 1070CO -0.08 0.41 -0.08 -0.37 -0.34 0.00 0.00 178.44 177.98 3bsx h VAL 1071N -0.36 0.93 0.00 1.05 -1.51 -1.92 -3.09 116.25 111.36 3bsx h VAL 1071Ca 0.00 -0.47 -0.05 0.00 -1.23 0.00 0.00 66.70 64.95 3bsx h VAL 1071Cb 0.40 1.22 -0.01 0.00 -2.13 0.00 0.00 31.29 30.77 3bsx h VAL 1071CO 0.00 0.11 -0.24 -0.07 -1.23 0.00 0.00 177.57 176.14 3bsx h LEU 1072N -0.45 0.00 -1.77 4.19 3.38 -0.97 0.16 115.31 119.86 3bsx h LEU 1072Ca -0.02 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 3bsx h LEU 1072Cb 0.35 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 3bsx h LEU 1072CO 0.04 0.24 0.10 0.28 0.09 0.00 0.00 178.44 179.19 3bsx h SER 1073N 0.00 0.22 -0.31 -0.43 0.02 -0.53 -2.00 113.55 110.52 3bsx h SER 1073Ca -0.00 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 3bsx h SER 1073Cb 0.45 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.93 3bsx h SER 1073CO 0.03 0.18 0.00 0.00 -1.14 0.00 0.00 176.83 175.91 3bsx n GLN 1074N -4.48 1.81 -3.87 3.45 6.02 0.56 -2.08 117.38 118.78 3bsx n GLN 1074Ca -0.00 -1.24 -0.35 0.00 -0.01 0.00 0.00 57.00 55.39 3bsx n GLN 1074Cb 0.10 -1.31 -0.08 0.00 1.02 0.00 0.00 30.24 29.97 3bsx n GLN 1074CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 3bsx s HIS 1075N -1.59 3.38 0.19 1.08 2.46 -0.86 -4.85 115.29 115.11 3bsx s HIS 1075Ca 0.26 0.28 -0.19 0.00 0.47 0.00 0.00 55.06 55.88 3bsx s HIS 1075Cb 0.14 -2.08 0.14 0.00 -0.13 0.00 0.00 32.58 30.65 3bsx s HIS 1075CO 0.19 0.33 1.61 -0.22 -2.47 0.00 0.00 174.74 174.18 3bsx h LYS 1076N 6.32 -0.13 0.00 2.88 3.64 -1.88 0.03 116.57 127.44 3bsx h LYS 1076Ca -0.42 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 58.96 3bsx h LYS 1076Cb 1.17 0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 33.02 3bsx h LYS 1076CO 0.70 -0.08 -0.01 0.74 -2.27 0.00 0.00 179.45 178.53 3bsx h PHE 1077N -0.13 0.00 -0.55 1.91 0.05 -1.89 -3.39 116.94 112.94 3bsx h PHE 1077Ca 0.23 0.00 0.02 0.00 3.82 0.00 0.00 57.97 62.04 3bsx h PHE 1077Cb 0.50 0.00 -0.03 0.00 2.00 0.00 0.00 35.95 38.42 3bsx h PHE 1077CO -0.54 0.34 0.37 0.00 -0.18 0.00 0.00 178.31 178.30 3bsx h ALA 1078N -0.66 1.67 -1.05 2.45 0.00 -1.35 -2.66 119.26 117.66 3bsx h ALA 1078Ca -0.00 -0.03 0.27 0.00 0.00 0.00 0.00 54.91 55.15 3bsx h ALA 1078Cb 0.35 -0.20 -0.09 0.00 0.00 0.00 0.00 17.79 17.85 3bsx h ALA 1078CO -0.00 0.28 0.68 0.66 0.00 0.00 0.00 179.25 180.88 3bsx h SER 1079N 0.69 0.40 -0.34 0.00 4.64 -0.28 0.36 113.55 119.01 3bsx h SER 1079Ca 0.21 0.08 -0.05 0.00 -0.47 0.00 0.00 61.79 61.56 3bsx h SER 1079Cb 0.01 0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 62.10 3bsx h SER 1079CO -0.05 0.07 0.06 0.78 -0.87 0.00 0.00 176.83 176.82 3bsx h ASN 1080N 0.35 0.62 -0.26 4.97 4.21 -1.69 -1.72 115.58 122.07 3bsx h ASN 1080Ca 0.59 -0.11 -0.16 0.00 1.21 0.00 0.00 56.30 57.83 3bsx h ASN 1080Cb 1.58 -0.16 -0.01 0.00 -1.12 0.00 0.00 38.32 38.61 3bsx h ASN 1080CO -0.27 0.65 -0.41 0.58 -1.29 0.00 0.00 177.43 176.69 3bsx h VAL 1081N 0.64 1.28 -0.38 2.81 2.07 -0.43 -0.13 116.25 122.11 3bsx h VAL 1081Ca 0.14 -1.59 -0.14 0.00 0.82 0.00 0.00 66.70 65.92 3bsx h VAL 1081Cb 0.32 1.47 -0.01 0.00 -1.52 0.00 0.00 31.29 31.55 3bsx h VAL 1081CO 0.01 0.52 -0.33 -0.37 0.02 0.00 0.00 177.57 177.42 3bsx h VAL 1082N 0.66 1.28 -0.39 2.57 -1.51 -1.19 0.21 116.25 117.88 3bsx h VAL 1082Ca 0.05 -1.49 0.06 0.00 -1.23 0.00 0.00 66.70 64.09 3bsx h VAL 1082Cb 0.98 1.33 -0.05 0.00 -2.13 0.00 0.00 31.29 31.42 3bsx h VAL 1082CO 0.09 0.50 0.07 -0.33 -1.23 0.00 0.00 177.57 176.67 3bsx h GLU 1083N 0.72 0.19 -0.57 5.19 5.08 -1.01 0.21 114.58 124.40 3bsx h GLU 1083Ca 0.07 -0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.48 3bsx h GLU 1083Cb 0.89 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 30.05 3bsx h GLU 1083CO 0.08 0.13 0.29 0.87 -1.00 0.00 0.00 179.01 179.38 3bsx h LYS 1084N 0.20 0.53 -0.12 2.33 6.56 -0.47 -0.57 116.57 125.03 3bsx h LYS 1084Ca 0.19 -0.03 0.03 0.00 -1.06 0.00 0.00 60.65 59.77 3bsx h LYS 1084Cb 0.22 -0.12 -0.03 0.00 -0.57 0.00 0.00 32.23 31.73 3bsx h LYS 1084CO -0.25 0.35 -0.06 0.00 -2.06 0.00 0.00 179.45 177.43 3bsx h VAL 1086N -0.06 0.89 0.17 0.00 2.07 -0.27 -2.37 116.25 116.69 3bsx h VAL 1086Ca 0.07 -0.28 -0.34 0.00 0.82 0.00 0.00 66.70 66.98 3bsx h VAL 1086Cb 0.16 1.16 0.01 0.00 -1.52 0.00 0.00 31.29 31.09 3bsx h VAL 1086CO -0.16 0.07 -1.69 0.74 0.02 0.00 0.00 177.57 176.56 3bsx h THR 1087N 0.00 0.95 -0.13 2.57 2.02 -0.36 -3.41 112.91 114.54 3bsx h THR 1087Ca -0.00 -2.48 0.00 0.00 0.77 0.00 0.00 66.41 64.70 3bsx h THR 1087Cb 0.15 2.75 0.00 0.00 -1.74 0.00 0.00 68.15 69.31 3bsx h THR 1087CO 0.01 0.83 0.00 1.41 0.37 0.00 0.00 175.52 178.14 3bsx n HIS 1088N -3.66 0.18 -1.94 3.16 8.25 -0.31 -4.98 115.22 115.91 3bsx n HIS 1088Ca -0.25 -0.38 -0.29 0.00 -0.26 0.00 0.00 57.72 56.53 3bsx n HIS 1088Cb 1.04 -0.03 0.06 0.00 1.12 0.00 0.00 29.99 32.17 3bsx n HIS 1088CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3bsx s ALA 1089N -0.87 2.88 1.03 -1.41 0.00 -0.90 -4.99 121.76 117.51 3bsx s ALA 1089Ca 0.10 -0.47 -0.12 0.00 0.00 0.00 0.00 51.96 51.48 3bsx s ALA 1089Cb 0.06 -2.96 0.21 0.00 0.00 0.00 0.00 23.12 20.43 3bsx s ALA 1089CO 0.08 -1.24 1.07 -1.54 0.00 0.00 0.00 175.76 174.13 3bsx s SER 1090N -4.41 2.17 0.44 0.00 1.04 -1.26 -4.72 113.70 106.95 3bsx s SER 1090Ca 0.59 1.54 0.11 0.00 0.48 0.00 0.00 55.95 58.66 3bsx s SER 1090Cb -0.11 -2.22 0.98 0.00 0.10 0.00 0.00 66.02 64.77 3bsx s SER 1090CO 0.50 -3.47 2.06 0.03 0.98 0.00 0.00 173.24 173.34 3bsx h ARG 1091N -2.12 0.29 0.06 4.02 3.08 -1.99 -1.72 114.38 115.99 3bsx h ARG 1091Ca -0.55 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 59.47 3bsx h ARG 1091Cb 1.31 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.30 3bsx h ARG 1091CO 0.52 0.24 -0.03 1.15 -1.07 0.00 0.00 179.97 180.78 3bsx h THR 1092N 0.29 1.25 -0.78 2.04 2.02 -1.98 -2.08 112.91 113.67 3bsx h THR 1092Ca 0.07 -1.17 0.01 0.00 0.77 0.00 0.00 66.41 66.10 3bsx h THR 1092Cb 0.06 2.00 -0.04 0.00 -1.74 0.00 0.00 68.15 68.43 3bsx h THR 1092CO -0.01 0.29 0.52 -0.33 0.37 0.00 0.00 175.52 176.35 3bsx h GLU 1093N -0.62 1.00 -0.06 6.66 5.08 -1.88 -0.41 114.58 124.35 3bsx h GLU 1093Ca -0.01 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 3bsx h GLU 1093Cb 0.53 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 29.55 3bsx h GLU 1093CO 0.01 0.66 -0.02 -0.09 -1.00 0.00 0.00 179.01 178.58 3bsx h ARG 1094N 1.03 0.12 0.00 2.33 2.43 -1.37 0.23 114.38 119.15 3bsx h ARG 1094Ca 0.29 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.40 3bsx h ARG 1094Cb -0.08 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.46 3bsx h ARG 1094CO -0.07 0.47 -0.04 0.00 -1.51 0.00 0.00 179.97 178.82 3bsx h ALA 1095N 0.65 1.68 0.13 2.80 0.00 -1.05 -1.21 119.26 122.26 3bsx h ALA 1095Ca 0.02 -0.04 -0.23 0.00 0.00 0.00 0.00 54.91 54.66 3bsx h ALA 1095Cb 0.43 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.24 3bsx h ALA 1095CO 0.01 0.05 -0.96 0.28 0.00 0.00 0.00 179.25 178.62 3bsx h VAL 1096N 0.00 1.42 -0.34 0.00 2.07 -0.98 -1.95 116.25 116.46 3bsx h VAL 1096Ca -0.00 -2.47 0.02 0.00 0.82 0.00 0.00 66.70 65.07 3bsx h VAL 1096Cb 0.08 2.98 -0.02 0.00 -1.52 0.00 0.00 31.29 32.81 3bsx h VAL 1096CO 0.01 0.72 0.20 -0.07 0.02 0.00 0.00 177.57 178.44 3bsx h LEU 1097N -0.12 0.31 -0.44 2.57 3.38 -0.48 -1.57 115.31 118.96 3bsx h LEU 1097Ca -0.16 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.75 3bsx h LEU 1097Cb 1.72 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 42.39 3bsx h LEU 1097CO 0.18 0.23 0.03 0.40 0.09 0.00 0.00 178.44 179.38 3bsx h ILE 1098N 0.40 1.25 -0.08 1.22 2.04 -1.36 -2.73 117.51 118.25 3bsx h ILE 1098Ca 0.14 -0.97 0.02 0.00 1.00 0.00 0.00 64.86 65.05 3bsx h ILE 1098Cb 0.01 1.02 -0.00 0.00 -0.74 0.00 0.00 36.82 37.11 3bsx h ILE 1098CO -0.07 0.34 0.06 -0.78 0.00 0.00 0.00 178.15 177.70 3bsx h ASP 1099N 0.61 0.00 -0.85 1.72 3.58 -1.09 -2.21 116.42 118.17 3bsx h ASP 1099Ca 0.13 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.55 3bsx h ASP 1099Cb 0.44 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.45 3bsx h ASP 1099CO 0.02 0.00 0.41 -0.08 -2.88 0.00 0.00 179.24 176.70 3bsx h GLU 1100N 0.00 1.23 0.00 0.28 4.81 -0.96 0.81 114.58 120.75 3bsx h GLU 1100Ca 0.04 -0.18 0.00 0.00 -0.13 0.00 0.00 59.36 59.09 3bsx h GLU 1100Cb 0.16 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 29.32 3bsx h GLU 1100CO -0.00 0.95 0.00 -0.39 -0.73 0.00 0.00 179.01 178.84 3bsx h VAL 1101N 1.22 0.00 -0.01 0.32 -1.51 -1.45 0.53 116.25 115.36 3bsx h VAL 1101Ca 0.29 -0.61 0.00 0.00 -1.23 0.00 0.00 66.70 65.16 3bsx h VAL 1101Cb 0.12 1.56 0.00 0.00 -2.13 0.00 0.00 31.29 30.84 3bsx h VAL 1101CO -0.04 0.00 -0.23 0.00 -1.23 0.00 0.00 177.57 176.08 3bsx n THR 1103N -0.84 0.55 -1.55 0.00 -1.04 0.21 -5.02 114.28 106.59 3bsx n THR 1103Ca 0.12 -0.18 -0.40 0.00 -2.04 0.00 0.00 64.05 61.56 3bsx n THR 1103Cb 0.32 -1.22 0.02 0.00 -1.82 0.00 0.00 70.33 67.64 3bsx n THR 1103CO 0.00 0.00 0.00 0.23 -0.64 0.00 0.00 175.07 174.66 3bsx n MET 1104N -3.10 0.91 -3.24 -2.82 2.81 0.18 -5.01 117.12 106.85 3bsx n MET 1104Ca -0.18 0.34 -0.19 0.00 -1.81 0.00 0.00 57.70 55.86 3bsx n MET 1104Cb 0.66 -1.89 -0.07 0.00 -0.71 0.00 0.00 33.22 31.22 3bsx n MET 1104CO 0.00 0.00 0.00 1.21 1.51 0.00 0.00 175.97 178.69 3bsx s ASN 1105N -0.98 0.71 0.00 7.83 3.84 -1.26 -3.68 114.94 121.40 3bsx s ASN 1105Ca 0.67 -2.27 0.00 0.00 0.21 0.00 0.00 52.86 51.47 3bsx s ASN 1105Cb -0.51 0.42 0.00 0.00 -0.55 0.00 0.00 41.25 40.61 3bsx s ASN 1105CO 0.54 -0.17 0.36 -0.90 -2.79 0.00 0.00 177.10 174.14 3bsx n ASP 1106N 3.33 0.00 0.00 -4.21 5.68 -1.14 -4.82 116.55 115.39 3bsx n ASP 1106Ca 0.21 -1.31 0.00 0.00 -0.50 0.00 0.00 54.79 53.19 3bsx n ASP 1106Cb 0.49 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.47 3bsx n ASP 1106CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3bsx n GLY 1107N 2.68 1.08 0.37 6.12 0.00 -1.26 -3.58 105.19 110.59 3bsx n GLY 1107Ca 0.00 0.40 0.09 0.00 0.00 0.00 0.00 46.02 46.50 3bsx n GLY 1107CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3bsx h PRO 1108N 0.00 0.86 -6.42 1.61 0.11 -2.06 -3.40 132.00 122.70 3bsx h PRO 1108Ca 0.00 -0.05 -0.63 0.00 0.11 0.00 0.00 66.00 65.43 3bsx h PRO 1108Cb 0.00 -0.19 -0.25 0.00 0.11 0.00 0.00 31.00 30.67 3bsx h PRO 1108CO 0.00 0.57 -0.86 -1.01 -0.21 0.00 0.00 178.00 176.49 3bsx s HIS 1109N -5.85 2.04 0.67 0.65 3.76 -1.24 -5.13 115.29 110.19 3bsx s HIS 1109Ca -0.11 -0.39 -0.17 0.00 -0.15 0.00 0.00 55.06 54.24 3bsx s HIS 1109Cb 0.22 -1.19 0.01 0.00 1.11 0.00 0.00 32.58 32.73 3bsx s HIS 1109CO 0.80 0.15 1.21 0.45 -0.85 0.00 0.00 174.74 176.50 3bsx s SER 1110N -1.42 4.66 0.21 1.40 0.15 -1.26 -2.90 113.70 114.54 3bsx s SER 1110Ca 0.10 2.36 -0.09 0.00 0.70 0.00 0.00 55.95 59.02 3bsx s SER 1110Cb -0.09 -2.59 0.17 0.00 -1.71 0.00 0.00 66.02 61.79 3bsx s SER 1110CO 0.03 -1.95 1.82 0.00 1.20 0.00 0.00 173.24 174.34 3bsx h ALA 1111N 0.21 1.03 -0.45 5.45 0.00 -1.78 -1.44 119.26 122.28 3bsx h ALA 1111Ca -0.49 -0.14 -0.13 0.00 0.00 0.00 0.00 54.91 54.16 3bsx h ALA 1111Cb 1.30 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 3bsx h ALA 1111CO 0.52 0.56 -0.23 1.25 0.00 0.00 0.00 179.25 181.35 3bsx h LEU 1112N 1.12 0.95 -0.15 0.00 5.85 -1.88 -1.84 115.31 119.36 3bsx h LEU 1112Ca 0.28 -0.36 0.04 0.00 0.84 0.00 0.00 57.88 58.68 3bsx h LEU 1112Cb 0.07 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 40.79 3bsx h LEU 1112CO -0.04 1.14 -0.11 0.22 -0.34 0.00 0.00 178.44 179.30 3bsx h TYR 1113N 0.80 -0.28 -0.72 1.25 3.20 -1.91 -0.90 116.97 118.42 3bsx h TYR 1113Ca 0.10 0.02 0.04 0.00 3.14 0.00 0.00 58.73 62.04 3bsx h TYR 1113Cb 0.79 0.15 -0.05 0.00 1.54 0.00 0.00 36.73 39.16 3bsx h TYR 1113CO 0.05 -0.17 0.43 1.15 -1.64 0.00 0.00 178.16 177.98 3bsx h THR 1114N -0.12 1.05 -0.35 1.81 2.02 -0.98 -3.11 112.91 113.22 3bsx h THR 1114Ca 0.09 -0.28 -0.17 0.00 0.77 0.00 0.00 66.41 66.82 3bsx h THR 1114Cb 0.26 0.15 -0.00 0.00 -1.74 0.00 0.00 68.15 66.81 3bsx h THR 1114CO -0.22 0.15 -0.44 0.24 0.37 0.00 0.00 175.52 175.62 3bsx h MET 1115N 0.83 0.91 -0.37 6.66 2.86 -1.25 -2.90 114.93 121.67 3bsx h MET 1115Ca 0.30 -0.51 -0.03 0.00 -2.06 0.00 0.00 59.70 57.40 3bsx h MET 1115Cb 0.09 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.77 3bsx h MET 1115CO -0.14 1.16 0.10 0.52 1.06 0.00 0.00 176.91 179.61 3bsx h MET 1116N 0.73 0.53 0.00 1.72 2.07 -1.09 -0.32 114.93 118.57 3bsx h MET 1116Ca 0.05 -0.08 0.00 0.00 -2.07 0.00 0.00 59.70 57.60 3bsx h MET 1116Cb 1.03 -0.09 0.00 0.00 -1.87 0.00 0.00 31.60 30.67 3bsx h MET 1116CO 0.10 0.48 -0.77 0.36 1.07 0.00 0.00 176.91 178.15 3bsx n LYS 1117N -4.35 0.09 -2.44 1.72 2.85 -1.19 -4.38 118.16 110.45 3bsx n LYS 1117Ca 0.02 0.00 -0.39 0.00 -1.05 0.00 0.00 58.31 56.90 3bsx n LYS 1117Cb 0.18 -1.53 -0.04 0.00 -0.65 0.00 0.00 35.03 32.99 3bsx n LYS 1117CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 3bsx s ASP 1118N -3.28 6.91 0.49 -5.58 2.15 -1.05 -4.94 116.67 111.36 3bsx s ASP 1118Ca 0.08 2.23 0.18 0.00 0.43 0.00 0.00 52.55 55.47 3bsx s ASP 1118Cb 0.16 -2.61 1.19 0.00 -0.30 0.00 0.00 42.92 41.36 3bsx s ASP 1118CO 0.77 -0.40 2.06 0.06 -0.17 0.00 0.00 175.17 177.50 3bsx h GLN 1119N 3.10 0.00 0.00 4.34 3.07 -1.91 -2.47 115.11 121.24 3bsx h GLN 1119Ca -0.48 0.00 -0.30 0.00 0.09 0.00 0.00 58.65 57.96 3bsx h GLN 1119Cb 1.22 0.00 -0.05 0.00 0.08 0.00 0.00 27.48 28.73 3bsx h GLN 1119CO 0.64 0.12 -2.04 0.66 0.09 0.00 0.00 178.83 178.30 3bsx n TYR 1120N -4.26 0.00 0.32 0.06 0.53 -1.26 -4.62 117.16 107.92 3bsx n TYR 1120Ca -0.03 0.00 0.19 0.00 -1.02 0.00 0.00 57.90 57.05 3bsx n TYR 1120Cb 0.19 -0.68 1.06 0.00 -1.03 0.00 0.00 39.34 38.89 3bsx n TYR 1120CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 3bsx h ALA 1121N -0.44 1.23 -0.47 -0.72 0.00 -1.50 -2.40 119.26 114.95 3bsx h ALA 1121Ca -0.45 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.48 3bsx h ALA 1121Cb 1.49 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.25 3bsx h ALA 1121CO -0.21 0.01 0.32 -2.95 0.00 0.00 0.00 179.25 176.41 3bsx h ASN 1122N 0.00 0.46 -0.55 0.00 7.08 -0.56 -1.65 115.58 120.37 3bsx h ASN 1122Ca -0.00 -0.01 -0.09 0.00 -3.08 0.00 0.00 56.30 53.12 3bsx h ASN 1122Cb 0.03 -0.11 -0.02 0.00 -2.08 0.00 0.00 38.32 36.14 3bsx h ASN 1122CO 0.00 0.32 -0.02 1.88 -2.08 0.00 0.00 177.43 177.54 3bsx h TYR 1123N 0.54 1.09 -0.36 4.14 0.05 -1.71 -1.13 116.97 119.60 3bsx h TYR 1123Ca 0.19 -0.19 -0.03 0.00 0.05 0.00 0.00 58.73 58.75 3bsx h TYR 1123Cb 0.09 -0.29 -0.01 0.00 1.01 0.00 0.00 36.73 37.53 3bsx h TYR 1123CO -0.00 0.98 0.10 0.28 -1.05 0.00 0.00 178.16 178.46 3bsx h VAL 1124N 0.92 1.22 -0.68 -2.88 2.07 -1.50 -1.83 116.25 113.56 3bsx h VAL 1124Ca 0.16 -0.73 -0.02 0.00 0.82 0.00 0.00 66.70 66.94 3bsx h VAL 1124Cb 0.55 1.02 -0.03 0.00 -1.52 0.00 0.00 31.29 31.31 3bsx h VAL 1124CO 0.03 0.25 0.36 0.58 0.02 0.00 0.00 177.57 178.81 3bsx h VAL 1125N 0.43 1.21 -0.52 2.57 2.07 -1.23 -0.23 116.25 120.55 3bsx h VAL 1125Ca 0.11 -0.54 -0.07 0.00 0.82 0.00 0.00 66.70 67.03 3bsx h VAL 1125Cb 0.28 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 30.34 3bsx h VAL 1125CO -0.00 0.24 0.05 1.56 0.02 0.00 0.00 177.57 179.44 3bsx h GLN 1126N 0.95 0.88 -0.50 1.57 4.20 -1.04 -1.82 115.11 119.35 3bsx h GLN 1126Ca 0.24 -0.25 -0.01 0.00 0.06 0.00 0.00 58.65 58.68 3bsx h GLN 1126Cb 0.05 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.71 3bsx h GLN 1126CO -0.04 0.88 0.26 -0.22 -0.67 0.00 0.00 178.83 179.04 3bsx h LYS 1127N 0.76 0.71 -0.72 1.46 1.63 -1.09 -2.79 116.57 116.52 3bsx h LYS 1127Ca 0.15 -0.10 -0.02 0.00 -0.85 0.00 0.00 60.65 59.84 3bsx h LYS 1127Cb 0.45 -0.13 -0.03 0.00 -0.60 0.00 0.00 32.23 31.91 3bsx h LYS 1127CO 0.02 0.58 0.39 0.52 -3.45 0.00 0.00 179.45 177.50 3bsx h MET 1128N 0.66 1.01 -0.37 1.90 2.86 -0.93 -2.44 114.93 117.63 3bsx h MET 1128Ca 0.17 -0.12 -0.01 0.00 -2.06 0.00 0.00 59.70 57.68 3bsx h MET 1128Cb 0.09 -0.20 -0.02 0.00 0.06 0.00 0.00 31.60 31.53 3bsx h MET 1128CO -0.02 0.76 0.18 0.82 1.06 0.00 0.00 176.91 179.71 3bsx h ILE 1129N 1.00 1.13 0.12 -1.22 2.04 -1.19 -2.25 117.51 117.14 3bsx h ILE 1129Ca 0.25 -0.35 -0.25 0.00 1.00 0.00 0.00 64.86 65.51 3bsx h ILE 1129Cb 0.05 0.66 0.03 0.00 -0.74 0.00 0.00 36.82 36.82 3bsx h ILE 1129CO -0.04 0.14 -1.03 0.44 0.00 0.00 0.00 178.15 177.67 3bsx h ASP 1130N 0.51 0.71 0.43 1.72 3.32 -1.22 -3.35 116.42 118.54 3bsx h ASP 1130Ca 0.13 -0.85 0.00 0.00 0.02 0.00 0.00 57.03 56.33 3bsx h ASP 1130Cb 0.05 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.38 3bsx h ASP 1130CO -0.02 1.49 -0.73 1.33 -1.72 0.00 0.00 179.24 179.60 3bsx n VAL 1131N -3.96 0.07 -1.91 -1.35 0.24 -0.95 -4.95 118.33 105.52 3bsx n VAL 1131Ca -0.13 -0.08 -0.40 0.00 -2.04 0.00 0.00 64.34 61.68 3bsx n VAL 1131Cb 0.89 0.33 0.01 0.00 -1.47 0.00 0.00 33.84 33.60 3bsx n VAL 1131CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3bsx s ALA 1132N -3.06 3.29 0.32 2.33 0.00 -0.85 -4.98 121.76 118.81 3bsx s ALA 1132Ca 0.08 1.38 -0.28 0.00 0.00 0.00 0.00 51.96 53.14 3bsx s ALA 1132Cb 0.16 -3.55 -0.09 0.00 0.00 0.00 0.00 23.12 19.64 3bsx s ALA 1132CO 0.76 -1.02 1.15 -1.21 0.00 0.00 0.00 175.76 175.44 3bsx s GLU 1133N -2.31 4.43 0.06 0.00 2.02 -1.26 -4.60 118.70 117.04 3bsx s GLU 1133Ca 0.58 1.87 -0.02 0.00 0.02 0.00 0.00 54.97 57.42 3bsx s GLU 1133Cb -0.42 -3.02 0.09 0.00 0.10 0.00 0.00 34.13 30.88 3bsx s GLU 1133CO 0.54 0.00 0.33 -2.30 0.02 0.00 0.00 175.26 173.85 3bsx n PRO 1134N 0.80 -0.03 0.05 0.39 -0.02 -1.26 -0.24 135.00 134.70 3bsx n PRO 1134Ca 0.01 0.33 -0.15 0.00 -2.02 0.00 0.00 63.50 61.66 3bsx n PRO 1134Cb 0.45 -0.49 -0.06 0.00 -0.02 0.00 0.00 33.50 33.38 3bsx n PRO 1134CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 3bsx h GLY 1135N 0.00 0.58 1.06 -1.23 0.00 -2.00 -2.94 103.07 98.54 3bsx h GLY 1135Ca 0.09 -0.98 -0.20 0.00 0.00 0.00 0.00 47.33 46.24 3bsx h GLY 1135CO -0.22 0.87 -0.72 -1.61 0.00 0.00 0.00 176.54 174.86 3bsx h GLN 1136N 0.30 0.68 -0.90 4.80 4.15 -0.97 -2.94 115.11 120.23 3bsx h GLN 1136Ca -0.09 -0.58 0.24 0.00 0.77 0.00 0.00 58.65 58.99 3bsx h GLN 1136Cb 1.58 0.13 -0.05 0.00 0.21 0.00 0.00 27.48 29.35 3bsx h GLN 1136CO 0.17 1.20 0.63 -0.09 -1.93 0.00 0.00 178.83 178.80 3bsx h ARG 1137N 0.35 0.15 -0.23 1.69 2.43 -1.16 0.17 114.38 117.78 3bsx h ARG 1137Ca -0.06 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.06 3bsx h ARG 1137Cb 1.36 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.86 3bsx h ARG 1137CO 0.15 0.10 -0.06 -0.22 -1.51 0.00 0.00 179.97 178.43 3bsx h LYS 1138N 0.15 0.36 0.01 0.20 3.11 -1.33 -2.33 116.57 116.74 3bsx h LYS 1138Ca 0.45 -0.08 -0.01 0.00 -2.81 0.00 0.00 60.65 58.20 3bsx h LYS 1138Cb 1.51 -0.05 0.00 0.00 -1.00 0.00 0.00 32.23 32.69 3bsx h LYS 1138CO -0.08 0.44 -0.06 0.82 -2.81 0.00 0.00 179.45 177.76 3bsx h ILE 1139N 0.35 1.77 -1.00 2.00 2.04 -0.71 -2.62 117.51 119.34 3bsx h ILE 1139Ca 0.07 -2.36 0.15 0.00 1.00 0.00 0.00 64.86 63.73 3bsx h ILE 1139Cb 0.33 3.37 -0.09 0.00 -0.74 0.00 0.00 36.82 39.69 3bsx h ILE 1139CO 0.01 0.61 0.62 0.58 0.00 0.00 0.00 178.15 179.98 3bsx h VAL 1140N -0.97 0.83 -0.13 1.67 2.07 -1.36 0.14 116.25 118.51 3bsx h VAL 1140Ca -0.01 -0.30 -0.23 0.00 0.82 0.00 0.00 66.70 66.97 3bsx h VAL 1140Cb 1.03 -0.14 0.01 0.00 -1.52 0.00 0.00 31.29 30.68 3bsx h VAL 1140CO 0.00 0.16 -0.82 0.24 0.02 0.00 0.00 177.57 177.17 3bsx h MET 1141N 0.89 0.78 -0.46 1.57 2.86 -1.47 0.01 114.93 119.11 3bsx h MET 1141Ca 0.53 -0.67 -0.06 0.00 -2.06 0.00 0.00 59.70 57.44 3bsx h MET 1141Cb 0.67 0.15 -0.02 0.00 0.06 0.00 0.00 31.60 32.46 3bsx h MET 1141CO -0.31 1.27 0.05 1.25 1.06 0.00 0.00 176.91 180.23 3bsx h HIS 1142N 0.51 0.76 -0.21 -0.22 6.17 -1.02 -0.84 115.15 120.30 3bsx h HIS 1142Ca -0.07 -0.08 -0.16 0.00 0.71 0.00 0.00 60.37 60.77 3bsx h HIS 1142Cb 1.46 -0.22 -0.01 0.00 2.52 0.00 0.00 27.41 31.17 3bsx h HIS 1142CO 0.09 0.68 -0.53 0.87 0.71 0.00 0.00 177.93 179.76 3bsx h LYS 1143N 0.69 0.61 -0.10 5.26 1.57 -0.82 -3.27 116.57 120.51 3bsx h LYS 1143Ca 0.15 -0.37 -0.22 0.00 -1.87 0.00 0.00 60.65 58.33 3bsx h LYS 1143Cb 0.35 0.04 0.01 0.00 0.08 0.00 0.00 32.23 32.72 3bsx h LYS 1143CO 0.01 0.98 -0.81 0.82 -0.57 0.00 0.00 179.45 179.88 3bsx h ILE 1144N 0.47 1.29 -0.94 1.86 2.04 -0.88 -3.38 117.51 117.98 3bsx h ILE 1144Ca 0.01 -2.03 0.30 0.00 1.00 0.00 0.00 64.86 64.14 3bsx h ILE 1144Cb 1.07 2.15 -0.17 0.00 -0.74 0.00 0.00 36.82 39.13 3bsx h ILE 1144CO 0.10 0.63 0.15 -1.14 0.00 0.00 0.00 178.15 177.90 3bsx n ARG 1145N -3.97 -0.07 0.00 2.37 0.63 -0.33 0.08 116.66 115.38 3bsx n ARG 1145Ca -0.09 1.38 0.05 0.00 -0.92 0.00 0.00 57.85 58.27 3bsx n ARG 1145Cb 0.76 -2.26 0.31 0.00 0.45 0.00 0.00 32.46 31.72 3bsx n ARG 1145CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82 3bsx n PRO 1146N -5.32 0.39 -0.08 -0.14 -0.02 -1.26 -3.04 135.00 125.53 3bsx n PRO 1146Ca 0.26 0.00 0.08 0.00 -2.02 0.00 0.00 63.50 61.82 3bsx n PRO 1146Cb 0.86 -1.41 0.11 0.00 -0.02 0.00 0.00 33.50 33.04 3bsx n PRO 1146CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 3bsx n HIS 1147N -0.91 0.00 -0.12 6.00 8.25 0.11 -4.79 115.22 123.76 3bsx n HIS 1147Ca 0.08 -0.87 -0.09 0.00 -0.26 0.00 0.00 57.72 56.58 3bsx n HIS 1147Cb 0.04 -0.13 -0.01 0.00 1.12 0.00 0.00 29.99 31.01 3bsx n HIS 1147CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 3bsx h ILE 1148N 0.36 1.17 -0.67 1.59 2.04 -1.63 -2.41 117.51 117.96 3bsx h ILE 1148Ca 0.00 -0.48 0.14 0.00 1.00 0.00 0.00 64.86 65.52 3bsx h ILE 1148Cb 0.95 0.79 -0.11 0.00 -0.74 0.00 0.00 36.82 37.70 3bsx h ILE 1148CO 0.00 0.18 0.06 0.00 0.00 0.00 0.00 178.15 178.39 3bsx h ALA 1149N 1.03 0.73 -0.27 1.87 0.00 -1.87 -1.17 119.26 119.58 3bsx h ALA 1149Ca 0.13 0.19 -0.10 0.00 0.00 0.00 0.00 54.91 55.12 3bsx h ALA 1149Cb 0.12 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3bsx h ALA 1149CO -0.02 -0.38 -0.27 1.15 0.00 0.00 0.00 179.25 179.74 3bsx h THR 1150N 0.16 1.27 0.00 0.00 2.02 -1.88 -2.92 112.91 111.57 3bsx h THR 1150Ca 0.36 -1.32 -0.04 0.00 0.77 0.00 0.00 66.41 66.18 3bsx h THR 1150Cb 0.60 1.36 -0.01 0.00 -1.74 0.00 0.00 68.15 68.36 3bsx h THR 1150CO -0.53 0.42 -0.19 -0.07 0.37 0.00 0.00 175.52 175.52 3bsx h LEU 1151N 0.46 0.00 -0.09 2.58 3.38 -0.73 -2.90 115.31 118.01 3bsx h LEU 1151Ca 0.06 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.79 3bsx h LEU 1151Cb 0.71 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.47 3bsx h LEU 1151CO 0.05 0.19 -0.94 0.03 0.09 0.00 0.00 178.44 177.86 3bsx h ARG 1152N 0.00 0.68 0.14 1.13 2.47 -1.22 -3.25 114.38 114.32 3bsx h ARG 1152Ca -0.00 -0.67 -0.18 0.00 -1.26 0.00 0.00 59.98 57.87 3bsx h ARG 1152Cb 0.67 0.17 0.02 0.00 -1.65 0.00 0.00 29.97 29.19 3bsx h ARG 1152CO 0.02 1.26 -0.80 1.57 0.56 0.00 0.00 179.97 182.59 3bsx h LYS 1153N 0.41 0.30 -6.72 0.04 2.10 -1.54 -3.45 116.57 107.71 3bsx h LYS 1153Ca -0.10 -0.51 -0.52 0.00 -2.00 0.00 0.00 60.65 57.53 3bsx h LYS 1153Cb 1.58 0.19 0.03 0.00 -0.90 0.00 0.00 32.23 33.13 3bsx h LYS 1153CO 0.18 1.24 0.59 0.71 -2.00 0.00 0.00 179.45 180.17 3bsx s TYR 1154N -2.46 3.33 -0.33 0.07 4.12 -1.10 -4.93 117.35 116.06 3bsx s TYR 1154Ca -0.14 1.38 0.26 0.00 0.02 0.00 0.00 57.07 58.60 3bsx s TYR 1154Cb 0.01 -3.51 1.09 0.00 -1.52 0.00 0.00 41.96 38.02 3bsx s TYR 1154CO 0.83 -1.46 1.79 1.79 0.02 0.00 0.00 175.55 178.51 3bsx h THR 1155N 3.55 0.00 0.09 -0.71 1.35 -1.86 -3.30 112.91 112.02 3bsx h THR 1155Ca -0.46 -0.31 -0.00 0.00 -0.55 0.00 0.00 66.41 65.09 3bsx h THR 1155Cb 1.22 1.12 0.00 0.00 -1.73 0.00 0.00 68.15 68.75 3bsx h THR 1155CO 0.73 0.00 -0.04 1.88 -0.25 0.00 0.00 175.52 177.84 3bsx h TYR 1156N 0.00 -0.11 0.00 4.73 0.05 -1.91 -3.36 116.97 116.37 3bsx h TYR 1156Ca 0.00 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 3bsx h TYR 1156Cb 0.41 0.04 0.00 0.00 1.01 0.00 0.00 36.73 38.18 3bsx h TYR 1156CO 0.00 -0.07 0.00 0.41 -1.05 0.00 0.00 178.16 177.45 3bsx n GLY 1157N 1.48 0.00 0.15 3.88 0.00 -1.24 -1.06 105.19 108.40 3bsx n GLY 1157Ca -0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.91 3bsx n GLY 1157CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3bsx h LYS 1158N 0.00 0.29 -0.10 1.61 2.10 -1.71 0.31 116.57 119.07 3bsx h LYS 1158Ca 0.00 -0.28 -0.21 0.00 -2.00 0.00 0.00 60.65 58.16 3bsx h LYS 1158Cb 0.00 0.07 0.01 0.00 -0.90 0.00 0.00 32.23 31.41 3bsx h LYS 1158CO 0.00 0.96 -0.74 0.45 -2.00 0.00 0.00 179.45 178.13 3bsx h HIS 1159N 0.18 0.94 -0.13 0.07 3.86 -1.38 -0.99 115.15 117.71 3bsx h HIS 1159Ca -0.04 -0.44 0.00 0.00 -1.16 0.00 0.00 60.37 58.73 3bsx h HIS 1159Cb 1.42 -0.14 -0.01 0.00 1.06 0.00 0.00 27.41 29.75 3bsx h HIS 1159CO 0.04 1.26 0.08 0.82 0.86 0.00 0.00 177.93 180.99 3bsx h ILE 1160N 0.36 1.04 -0.56 2.45 1.08 -1.70 -1.87 117.51 118.31 3bsx h ILE 1160Ca -0.06 -0.08 -0.02 0.00 -0.39 0.00 0.00 64.86 64.31 3bsx h ILE 1160Cb 1.38 0.86 -0.03 0.00 -3.07 0.00 0.00 36.82 35.97 3bsx h ILE 1160CO 0.15 0.04 0.27 0.25 -0.69 0.00 0.00 178.15 178.16 3bsx h LEU 1161N 0.17 0.71 -0.11 1.44 5.85 -0.39 -1.58 115.31 121.39 3bsx h LEU 1161Ca 0.05 -0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.69 3bsx h LEU 1161Cb -0.01 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 40.83 3bsx h LEU 1161CO -0.01 0.61 0.05 0.00 -0.34 0.00 0.00 178.44 178.75 3bsx h ALA 1162N 1.50 0.14 -0.95 1.25 0.00 -1.10 0.33 119.26 120.43 3bsx h ALA 1162Ca 0.20 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 55.07 3bsx h ALA 1162Cb 0.09 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.78 3bsx h ALA 1162CO -0.03 -0.30 0.62 0.87 0.00 0.00 0.00 179.25 180.42 3bsx h LYS 1163N 0.04 1.15 0.46 0.00 1.57 -0.65 1.43 116.57 120.57 3bsx h LYS 1163Ca 0.04 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.72 3bsx h LYS 1163Cb 0.13 -0.26 0.00 0.00 0.08 0.00 0.00 32.23 32.18 3bsx h LYS 1163CO -0.00 0.76 -0.22 1.25 -0.57 0.00 0.00 179.45 180.66 3bsx h LEU 1164N 1.19 -0.53 -0.21 2.94 5.85 -1.30 -3.16 115.31 120.09 3bsx h LEU 1164Ca 0.38 0.02 0.06 0.00 0.84 0.00 0.00 57.88 59.18 3bsx h LEU 1164Cb 0.03 0.14 -0.06 0.00 0.37 0.00 0.00 40.66 41.13 3bsx h LEU 1164CO -0.12 -0.13 -0.21 -0.33 -0.34 0.00 0.00 178.44 177.31 3bsx h GLU 1165N -1.12 -0.22 0.00 1.25 3.07 -0.25 -3.38 114.58 113.93 3bsx h GLU 1165Ca -0.06 0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.81 3bsx h GLU 1165Cb 0.48 0.05 0.00 0.00 -0.84 0.00 0.00 28.75 28.44 3bsx h GLU 1165CO 0.10 -0.15 0.00 0.36 -1.40 0.00 0.00 179.01 177.93 3bsx n LYS 1166N -5.36 0.00 -0.65 2.33 -0.00 0.49 -5.05 118.16 109.92 3bsx n LYS 1166Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.30 3bsx n LYS 1166Cb 0.27 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.30 3bsx n LYS 1166CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.40 178.38