#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bsb s SER 830 N 0.00 5.43 0.16 0.55 1.04 -1.26 -4.96 113.70 114.66 3bsb s SER 830 Ca 0.00 -0.57 -0.11 0.00 0.48 0.00 0.00 55.95 55.75 3bsb s SER 830 Cb 0.00 -0.30 0.05 0.00 0.10 0.00 0.00 66.02 65.87 3bsb s SER 830 CO 0.00 -1.00 1.65 0.08 0.98 0.00 0.00 173.24 174.95 3bsb h ARG 831 N 0.44 0.93 -0.69 4.02 -0.00 -2.05 -1.67 114.38 115.36 3bsb h ARG 831 Ca -0.36 -0.25 0.11 0.00 -0.00 0.00 0.00 59.98 59.48 3bsb h ARG 831 Cb 1.28 -0.11 -0.04 0.00 -0.00 0.00 0.00 29.97 31.10 3bsb h ARG 831 CO 0.44 0.89 0.46 1.25 -0.00 0.00 0.00 179.97 183.01 3bsb h LEU 832 N 0.82 0.43 0.14 0.08 5.85 -2.00 -0.77 115.31 119.87 3bsb h LEU 832 Ca 0.17 0.01 -0.24 0.00 0.84 0.00 0.00 57.88 58.67 3bsb h LEU 832 Cb 0.42 -0.07 0.03 0.00 0.37 0.00 0.00 40.66 41.40 3bsb h LEU 832 CO 0.01 0.25 -1.01 0.25 -0.34 0.00 0.00 178.44 177.60 3bsb h LEU 833 N 0.47 0.64 -0.01 2.25 5.85 -1.89 -2.59 115.31 120.03 3bsb h LEU 833 Ca 0.33 -0.90 0.02 0.00 0.84 0.00 0.00 57.88 58.17 3bsb h LEU 833 Cb 0.62 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.40 3bsb h LEU 833 CO -0.10 1.48 -0.47 -0.33 -0.34 0.00 0.00 178.44 178.68 3bsb h GLU 834 N -0.10 -0.56 -0.98 1.25 3.07 -0.31 3.67 114.58 120.62 3bsb h GLU 834 Ca -0.17 0.04 0.01 0.00 -0.50 0.00 0.00 59.36 58.74 3bsb h GLU 834 Cb 1.76 0.13 -0.05 0.00 -0.84 0.00 0.00 28.75 29.75 3bsb h GLU 834 CO 0.19 -0.38 0.64 0.22 -1.40 0.00 0.00 179.01 178.28 3bsb h ASP 835 N -0.58 1.14 -0.11 1.42 1.82 -1.32 0.95 116.42 119.74 3bsb h ASP 835 Ca 0.01 -0.04 -0.01 0.00 -0.39 0.00 0.00 57.03 56.60 3bsb h ASP 835 Cb 0.63 -0.29 -0.00 0.00 0.68 0.00 0.00 39.33 40.35 3bsb h ASP 835 CO -0.32 0.84 0.03 0.15 -1.61 0.00 0.00 179.24 178.33 3bsb h PHE 836 N 1.34 0.17 0.00 0.28 3.57 -1.00 0.28 116.94 121.58 3bsb h PHE 836 Ca 0.36 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.84 3bsb h PHE 836 Cb -0.13 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 38.56 3bsb h PHE 836 CO 0.00 0.30 0.00 -2.13 -2.23 0.00 0.00 178.31 174.25 3bsb n ARG 837 N -4.89 0.01 -0.50 1.11 0.00 1.21 0.11 116.66 113.71 3bsb n ARG 837 Ca -0.06 0.49 0.05 0.00 -0.00 0.00 0.00 57.85 58.33 3bsb n ARG 837 Cb 0.13 -1.54 0.22 0.00 0.00 0.00 0.00 32.46 31.28 3bsb n ARG 837 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 3bsb n ASN 838 N -1.56 3.17 -2.79 6.15 3.02 0.32 -4.98 115.26 118.59 3bsb n ASN 838 Ca 0.00 -3.28 -0.02 0.00 -0.03 0.00 0.00 54.58 51.25 3bsb n ASN 838 Cb 0.02 -0.55 -0.02 0.00 -0.61 0.00 0.00 39.78 38.62 3bsb n ASN 838 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3bsb n ASN 839 N -0.86 -4.95 0.00 6.41 2.85 0.30 -5.00 115.26 114.01 3bsb n ASN 839 Ca 0.24 1.20 0.00 0.00 -0.11 0.00 0.00 54.58 55.91 3bsb n ASN 839 Cb 0.89 -4.27 0.00 0.00 1.24 0.00 0.00 39.78 37.65 3bsb n ASN 839 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 3bsb n ARG 840 N 1.42 0.00 -3.71 1.20 5.12 -1.04 -4.96 116.66 114.69 3bsb n ARG 840 Ca -0.16 0.00 -0.30 0.00 -1.93 0.00 0.00 57.85 55.46 3bsb n ARG 840 Cb 0.32 -0.09 -0.14 0.00 -1.16 0.00 0.00 32.46 31.38 3bsb n ARG 840 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 3bsb s TYR 841 N 0.00 1.80 -0.60 -1.55 2.02 -1.26 -4.96 117.35 112.80 3bsb s TYR 841 Ca 0.00 -2.03 0.24 0.00 -0.37 0.00 0.00 57.07 54.92 3bsb s TYR 841 Cb 0.00 -1.76 0.36 0.00 -0.40 0.00 0.00 41.96 40.17 3bsb s TYR 841 CO 0.00 -0.84 1.36 -1.00 -1.57 0.00 0.00 175.55 173.50 3bsb h PRO 842 N 7.48 0.00 -0.31 -1.71 0.13 -1.99 -3.27 132.00 132.33 3bsb h PRO 842 Ca -0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 3bsb h PRO 842 Cb 0.98 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.11 3bsb h PRO 842 CO 0.46 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.32 3bsb n ASN 843 N -2.24 3.36 -4.66 1.44 4.13 -1.26 -5.01 115.26 111.02 3bsb n ASN 843 Ca 0.03 -1.99 -0.58 0.00 1.68 0.00 0.00 54.58 53.72 3bsb n ASN 843 Cb 0.46 -0.19 -0.07 0.00 -1.54 0.00 0.00 39.78 38.43 3bsb n ASN 843 CO 0.00 0.00 0.00 -0.11 0.28 0.00 0.00 177.26 177.43 3bsb n LEU 844 N 1.46 1.69 -4.90 3.41 7.94 -1.24 -4.99 117.00 120.37 3bsb n LEU 844 Ca 0.18 1.12 -0.24 0.00 -1.11 0.00 0.00 56.01 55.95 3bsb n LEU 844 Cb 0.60 -1.08 -0.01 0.00 0.53 0.00 0.00 43.42 43.46 3bsb n LEU 844 CO 0.16 -0.85 0.06 -1.10 -1.11 0.00 0.00 177.39 174.55 3bsb s GLN 845 N 2.18 2.31 -0.04 1.96 -1.52 -1.26 -5.05 119.66 118.23 3bsb s GLN 845 Ca 0.95 -1.87 -0.25 0.00 -1.95 0.00 0.00 55.36 52.24 3bsb s GLN 845 Cb -1.14 -2.21 -0.20 0.00 -0.22 0.00 0.00 33.01 29.25 3bsb s GLN 845 CO 0.62 -0.53 1.10 -0.07 -0.25 0.00 0.00 175.29 176.16 3bsb h LEU 846 N 0.78 -0.06 -1.60 2.90 3.38 -1.98 -3.18 115.31 115.55 3bsb h LEU 846 Ca -0.37 -0.51 0.33 0.00 0.09 0.00 0.00 57.88 57.42 3bsb h LEU 846 Cb 1.29 0.02 -0.08 0.00 0.09 0.00 0.00 40.66 41.97 3bsb h LEU 846 CO 0.56 0.50 0.78 -0.09 0.09 0.00 0.00 178.44 180.28 3bsb h ARG 847 N -0.66 0.20 0.00 1.13 9.65 -1.97 -0.31 114.38 122.42 3bsb h ARG 847 Ca -0.01 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.86 3bsb h ARG 847 Cb 0.57 -0.04 0.00 0.00 -1.39 0.00 0.00 29.97 29.10 3bsb h ARG 847 CO 0.01 0.13 0.00 0.39 2.80 0.00 0.00 179.97 183.30 3bsb n GLU 848 N -4.47 0.12 -0.34 0.20 1.02 -1.20 -3.11 120.64 112.86 3bsb n GLU 848 Ca 0.28 0.25 0.09 0.00 -0.02 0.00 0.00 57.16 57.75 3bsb n GLU 848 Cb 1.11 -1.68 0.22 0.00 -0.02 0.00 0.00 31.44 31.07 3bsb n GLU 848 CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75 3bsb n ILE 849 N -1.90 2.09 -1.70 -3.67 -5.35 -0.13 -5.00 119.36 103.71 3bsb n ILE 849 Ca 0.04 -1.88 -0.44 0.00 -0.27 0.00 0.00 62.75 60.21 3bsb n ILE 849 Cb 0.28 -0.18 -0.02 0.00 -1.74 0.00 0.00 39.64 37.97 3bsb n ILE 849 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3bsb n ALA 850 N -0.63 1.80 -0.35 -1.28 0.00 -1.18 -0.47 120.51 118.41 3bsb n ALA 850 Ca 0.19 0.40 0.00 0.00 0.00 0.00 0.00 53.44 54.03 3bsb n ALA 850 Cb 0.80 -2.37 0.00 0.00 0.00 0.00 0.00 19.45 17.87 3bsb n ALA 850 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3bsb n GLY 851 N 2.49 0.87 0.00 0.00 0.00 -1.26 -4.83 105.19 102.46 3bsb n GLY 851 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 3bsb n GLY 851 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3bsb n HIS 852 N -2.00 0.00 -0.27 1.61 -0.00 0.38 -4.84 115.22 110.11 3bsb n HIS 852 Ca 0.00 -0.20 0.04 0.00 -0.00 0.00 0.00 57.72 57.56 3bsb n HIS 852 Cb 0.00 -0.02 0.26 0.00 -0.00 0.00 0.00 29.99 30.23 3bsb n HIS 852 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 176.34 177.16 3bsb h ILE 853 N 1.10 1.09 -0.41 1.59 1.08 -1.87 -0.13 117.51 119.96 3bsb h ILE 853 Ca 0.00 -0.34 -0.06 0.00 -0.39 0.00 0.00 64.86 64.07 3bsb h ILE 853 Cb 0.59 0.01 -0.02 0.00 -3.07 0.00 0.00 36.82 34.33 3bsb h ILE 853 CO 0.00 0.18 0.04 -0.03 -0.69 0.00 0.00 178.15 177.65 3bsb h MET 854 N 0.99 0.71 -0.31 2.37 4.05 -1.88 -0.09 114.93 120.77 3bsb h MET 854 Ca 0.35 -0.20 -0.04 0.00 -0.28 0.00 0.00 59.70 59.53 3bsb h MET 854 Cb 0.14 -0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 30.85 3bsb h MET 854 CO -0.12 0.76 0.04 1.49 0.23 0.00 0.00 176.91 179.31 3bsb h GLU 855 N 0.55 0.52 -0.30 0.39 4.81 -1.77 -2.84 114.58 115.93 3bsb h GLU 855 Ca 0.12 -0.14 -0.11 0.00 -0.13 0.00 0.00 59.36 59.10 3bsb h GLU 855 Cb 0.42 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.73 3bsb h GLU 855 CO 0.01 0.62 -0.27 0.74 -0.73 0.00 0.00 179.01 179.39 3bsb h PHE 856 N 0.33 0.69 0.00 0.92 -1.00 -0.97 -2.80 116.94 114.12 3bsb h PHE 856 Ca 0.09 -0.16 -0.05 0.00 2.81 0.00 0.00 57.97 60.66 3bsb h PHE 856 Cb 0.37 -0.16 -0.01 0.00 3.61 0.00 0.00 35.95 39.75 3bsb h PHE 856 CO 0.03 0.82 -0.23 0.77 -1.61 0.00 0.00 178.31 178.08 3bsb h SER 857 N 0.53 0.00 0.26 2.17 0.02 -0.90 1.16 113.55 116.79 3bsb h SER 857 Ca 0.07 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 3bsb h SER 857 Cb 0.74 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.28 3bsb h SER 857 CO 0.06 0.23 -0.50 0.00 -1.14 0.00 0.00 176.83 175.48 3bsb n GLN 858 N -4.12 0.43 -3.35 3.45 6.02 -1.08 -1.77 117.38 116.96 3bsb n GLN 858 Ca -0.02 -0.29 -0.38 0.00 -0.01 0.00 0.00 57.00 56.30 3bsb n GLN 858 Cb 0.30 -1.49 -0.06 0.00 1.02 0.00 0.00 30.24 30.00 3bsb n GLN 858 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 3bsb s ASP 859 N -2.77 6.83 0.31 1.08 2.15 -0.97 -4.72 116.67 118.58 3bsb s ASP 859 Ca 0.16 0.99 0.07 0.00 0.43 0.00 0.00 52.55 54.19 3bsb s ASP 859 Cb 0.18 -2.30 0.80 0.00 -0.30 0.00 0.00 42.92 41.30 3bsb s ASP 859 CO 0.65 0.16 1.72 -0.61 -0.17 0.00 0.00 175.17 176.93 3bsb h GLN 860 N 5.57 0.53 0.03 4.34 4.15 -1.90 0.34 115.11 128.17 3bsb h GLN 860 Ca -0.46 -0.03 -0.36 0.00 0.77 0.00 0.00 58.65 58.57 3bsb h GLN 860 Cb 1.20 -0.12 -0.05 0.00 0.21 0.00 0.00 27.48 28.72 3bsb h GLN 860 CO 0.68 0.35 -2.19 0.72 -1.93 0.00 0.00 178.83 176.46 3bsb n HIS 861 N -4.92 0.48 -0.06 3.99 8.25 -1.26 -4.08 115.22 117.62 3bsb n HIS 861 Ca 0.25 0.13 -0.09 0.00 -0.26 0.00 0.00 57.72 57.74 3bsb n HIS 861 Cb 0.68 -1.07 -0.02 0.00 1.12 0.00 0.00 29.99 30.69 3bsb n HIS 861 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 3bsb h GLY 862 N 2.66 0.34 1.44 -1.41 0.00 -1.62 -2.23 103.07 102.25 3bsb h GLY 862 Ca -0.48 -0.12 0.05 0.00 0.00 0.00 0.00 47.33 46.79 3bsb h GLY 862 CO 0.02 0.11 0.23 0.23 0.00 0.00 0.00 176.54 177.12 3bsb h SER 863 N 0.31 0.00 0.20 0.19 0.87 0.36 -0.73 113.55 114.74 3bsb h SER 863 Ca 0.09 0.00 -0.26 0.00 -1.23 0.00 0.00 61.79 60.39 3bsb h SER 863 Cb -0.02 0.00 0.03 0.00 -0.44 0.00 0.00 62.40 61.97 3bsb h SER 863 CO -0.03 0.00 -1.18 -0.09 -0.53 0.00 0.00 176.83 175.00 3bsb h ARG 864 N 0.00 0.41 -0.26 2.24 2.43 -1.57 -2.97 114.38 114.67 3bsb h ARG 864 Ca 0.09 -0.71 0.06 0.00 -0.81 0.00 0.00 59.98 58.61 3bsb h ARG 864 Cb 0.54 0.26 -0.07 0.00 -0.42 0.00 0.00 29.97 30.28 3bsb h ARG 864 CO -0.00 1.34 -0.22 0.35 -1.51 0.00 0.00 179.97 179.93 3bsb h PHE 865 N -0.12 -0.58 -0.63 2.20 3.57 -0.69 -2.27 116.94 118.43 3bsb h PHE 865 Ca -0.21 0.04 0.03 0.00 3.53 0.00 0.00 57.97 61.36 3bsb h PHE 865 Cb 1.91 0.30 -0.04 0.00 2.79 0.00 0.00 35.95 40.90 3bsb h PHE 865 CO 0.16 -0.30 0.38 0.82 -2.23 0.00 0.00 178.31 177.14 3bsb h ILE 866 N -0.22 1.06 -0.54 1.41 2.04 -1.34 -2.88 117.51 117.04 3bsb h ILE 866 Ca 0.14 -0.25 0.07 0.00 1.00 0.00 0.00 64.86 65.82 3bsb h ILE 866 Cb 0.44 0.25 -0.06 0.00 -0.74 0.00 0.00 36.82 36.71 3bsb h ILE 866 CO -0.38 0.14 0.21 1.56 0.00 0.00 0.00 178.15 179.67 3bsb h GLN 867 N 0.74 0.39 -0.03 2.37 4.20 -1.25 -1.33 115.11 120.21 3bsb h GLN 867 Ca 0.26 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.94 3bsb h GLN 867 Cb 0.04 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 27.73 3bsb h GLN 867 CO -0.11 0.26 -0.01 -0.07 -0.67 0.00 0.00 178.83 178.23 3bsb h LEU 868 N 0.40 0.05 -0.81 1.46 3.38 -1.34 -2.89 115.31 115.56 3bsb h LEU 868 Ca 0.26 -0.39 -0.03 0.00 0.09 0.00 0.00 57.88 57.81 3bsb h LEU 868 Cb 0.27 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 40.97 3bsb h LEU 868 CO -0.25 0.43 0.38 0.11 0.09 0.00 0.00 178.44 179.20 3bsb h LYS 869 N -0.32 1.17 0.00 1.13 1.79 -1.47 -1.61 116.57 117.26 3bsb h LYS 869 Ca 0.01 -0.18 -0.00 0.00 -2.18 0.00 0.00 60.65 58.29 3bsb h LYS 869 Cb 0.41 -0.21 -0.00 0.00 -1.58 0.00 0.00 32.23 30.85 3bsb h LYS 869 CO 0.00 0.91 -0.02 -0.07 -1.08 0.00 0.00 179.45 179.19 3bsb h LEU 870 N 1.15 0.00 0.07 2.94 3.38 -1.26 -1.32 115.31 120.27 3bsb h LEU 870 Ca 0.28 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.26 3bsb h LEU 870 Cb 0.13 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 3bsb h LEU 870 CO -0.03 0.02 -0.12 -0.08 0.09 0.00 0.00 178.44 178.32 3bsb h GLU 871 N 0.00 -0.24 -1.18 1.13 4.81 -1.06 -3.19 114.58 114.85 3bsb h GLU 871 Ca -0.00 0.02 -0.60 0.00 -0.13 0.00 0.00 59.36 58.65 3bsb h GLU 871 Cb 0.05 0.05 -0.40 0.00 0.63 0.00 0.00 28.75 29.09 3bsb h GLU 871 CO 0.00 -0.16 -0.47 0.54 -0.73 0.00 0.00 179.01 178.19 3bsb n ARG 872 N -5.25 3.39 -4.00 1.92 1.74 -1.01 -5.04 116.66 108.41 3bsb n ARG 872 Ca -0.07 -4.17 -0.26 0.00 -0.77 0.00 0.00 57.85 52.59 3bsb n ARG 872 Cb 0.17 -2.27 -0.04 0.00 -1.02 0.00 0.00 32.46 29.30 3bsb n ARG 872 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3bsb s ALA 873 N -3.64 3.81 0.55 7.54 0.00 -0.53 -5.02 121.76 124.47 3bsb s ALA 873 Ca 0.51 -1.11 -0.16 0.00 0.00 0.00 0.00 51.96 51.20 3bsb s ALA 873 Cb 0.42 -1.61 -0.06 0.00 0.00 0.00 0.00 23.12 21.87 3bsb s ALA 873 CO -0.09 0.51 1.02 0.95 0.00 0.00 0.00 175.76 178.15 3bsb s THR 874 N -1.76 4.16 0.26 0.00 -4.23 -1.26 -4.81 115.64 108.00 3bsb s THR 874 Ca 0.33 1.05 -0.03 0.00 -1.18 0.00 0.00 61.69 61.85 3bsb s THR 874 Cb -0.11 -3.55 0.24 0.00 1.34 0.00 0.00 72.50 70.43 3bsb s THR 874 CO 0.26 -0.58 1.85 -0.65 -0.54 0.00 0.00 174.62 174.97 3bsb h PRO 875 N 0.73 0.98 -0.43 3.99 0.11 -1.99 0.34 132.00 135.73 3bsb h PRO 875 Ca -0.47 -0.06 0.07 0.00 0.11 0.00 0.00 66.00 65.66 3bsb h PRO 875 Cb 1.20 -0.22 -0.06 0.00 0.11 0.00 0.00 31.00 32.03 3bsb h PRO 875 CO 0.59 0.65 0.06 0.00 -0.21 0.00 0.00 178.00 179.09 3bsb h ALA 876 N 1.45 0.45 -0.44 -0.75 0.00 -2.00 -0.15 119.26 117.83 3bsb h ALA 876 Ca 0.42 0.10 -0.11 0.00 0.00 0.00 0.00 54.91 55.32 3bsb h ALA 876 Cb 0.25 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 3bsb h ALA 876 CO -0.20 -0.34 -0.16 0.93 0.00 0.00 0.00 179.25 179.48 3bsb h GLU 877 N 0.18 0.83 -0.52 0.00 5.08 -1.53 -2.52 114.58 116.09 3bsb h GLU 877 Ca 0.21 -0.31 0.01 0.00 -1.00 0.00 0.00 59.36 58.28 3bsb h GLU 877 Cb 0.28 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.45 3bsb h GLU 877 CO -0.30 0.93 0.33 -0.09 -1.00 0.00 0.00 179.01 178.88 3bsb h ARG 878 N 0.73 0.65 -0.13 2.33 2.43 0.52 -2.12 114.38 118.79 3bsb h ARG 878 Ca 0.11 -0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 59.17 3bsb h ARG 878 Cb 0.67 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 30.06 3bsb h ARG 878 CO 0.05 0.43 -0.25 0.37 -1.51 0.00 0.00 179.97 179.06 3bsb h GLN 879 N 0.66 0.24 -0.67 0.20 5.75 -0.89 -1.62 115.11 118.78 3bsb h GLN 879 Ca 0.20 -0.08 0.00 0.00 -0.15 0.00 0.00 58.65 58.62 3bsb h GLN 879 Cb -0.03 -0.02 -0.03 0.00 1.07 0.00 0.00 27.48 28.47 3bsb h GLN 879 CO -0.07 0.48 0.42 1.25 -2.65 0.00 0.00 178.83 178.27 3bsb h LEU 880 N 0.22 0.78 0.01 -2.39 6.46 -0.95 -1.78 115.31 117.66 3bsb h LEU 880 Ca 0.03 -0.03 -0.06 0.00 -0.12 0.00 0.00 57.88 57.70 3bsb h LEU 880 Cb 0.56 -0.20 0.01 0.00 -0.73 0.00 0.00 40.66 40.30 3bsb h LEU 880 CO 0.04 0.59 -0.26 0.58 -0.62 0.00 0.00 178.44 178.77 3bsb h VAL 881 N 0.92 1.58 -0.69 1.05 2.07 -1.21 -3.34 116.25 116.62 3bsb h VAL 881 Ca 0.24 -2.04 0.13 0.00 0.82 0.00 0.00 66.70 65.85 3bsb h VAL 881 Cb -0.07 2.89 -0.09 0.00 -1.52 0.00 0.00 31.29 32.49 3bsb h VAL 881 CO -0.05 0.56 0.22 0.15 0.02 0.00 0.00 177.57 178.47 3bsb h PHE 882 N -0.57 0.36 -0.93 1.57 3.04 -1.01 -1.64 116.94 117.77 3bsb h PHE 882 Ca -0.04 0.04 0.18 0.00 3.98 0.00 0.00 57.97 62.13 3bsb h PHE 882 Cb 1.05 -0.06 -0.11 0.00 2.56 0.00 0.00 35.95 39.40 3bsb h PHE 882 CO 0.20 0.01 0.51 -0.91 -2.02 0.00 0.00 178.31 176.09 3bsb h ASN 883 N 0.35 0.61 0.67 0.41 -0.26 -1.45 0.10 115.58 116.02 3bsb h ASN 883 Ca 0.38 0.11 0.00 0.00 -0.56 0.00 0.00 56.30 56.22 3bsb h ASN 883 Cb 0.58 0.01 0.00 0.00 -1.06 0.00 0.00 38.32 37.85 3bsb h ASN 883 CO -0.42 0.20 -0.36 -0.62 -1.06 0.00 0.00 177.43 175.17 3bsb n GLU 884 N -4.86 0.02 -0.06 0.81 1.02 -0.65 -4.00 120.64 112.92 3bsb n GLU 884 Ca 0.21 0.01 -0.04 0.00 -0.02 0.00 0.00 57.16 57.32 3bsb n GLU 884 Cb 0.54 -1.52 -0.13 0.00 -0.02 0.00 0.00 31.44 30.32 3bsb n GLU 884 CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75 3bsb n ILE 885 N -1.55 0.83 0.12 -3.67 -5.35 -0.64 -4.51 119.36 104.58 3bsb n ILE 885 Ca 0.06 -0.62 -0.13 0.00 -0.27 0.00 0.00 62.75 61.79 3bsb n ILE 885 Cb 0.34 -0.39 -0.06 0.00 -1.74 0.00 0.00 39.64 37.80 3bsb n ILE 885 CO 0.00 0.00 0.00 0.25 -1.76 0.00 0.00 176.55 175.04 3bsb h LEU 886 N 0.00 -0.86 -0.50 7.28 5.85 -0.97 -1.61 115.31 124.51 3bsb h LEU 886 Ca -0.33 0.10 0.09 0.00 0.84 0.00 0.00 57.88 58.58 3bsb h LEU 886 Cb 1.69 0.32 -0.07 0.00 0.37 0.00 0.00 40.66 42.97 3bsb h LEU 886 CO 0.02 -0.39 0.07 1.56 -0.34 0.00 0.00 178.44 179.36 3bsb h GLN 887 N -0.52 0.20 -1.54 1.25 1.08 -1.85 -2.00 115.11 111.73 3bsb h GLN 887 Ca 0.03 -0.01 -0.67 0.00 -1.45 0.00 0.00 58.65 56.55 3bsb h GLN 887 Cb 0.55 -0.04 -0.35 0.00 -0.05 0.00 0.00 27.48 27.59 3bsb h GLN 887 CO -0.17 0.13 0.18 0.00 -0.95 0.00 0.00 178.83 178.02 3bsb n ALA 888 N -2.56 5.81 -0.28 3.87 0.00 -1.22 -4.75 120.51 121.37 3bsb n ALA 888 Ca 0.05 -4.06 -0.05 0.00 0.00 0.00 0.00 53.44 49.38 3bsb n ALA 888 Cb 0.25 -1.25 0.06 0.00 0.00 0.00 0.00 19.45 18.52 3bsb n ALA 888 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3bsb h ALA 889 N 2.61 1.00 -0.07 0.00 0.00 -0.49 -3.04 119.26 119.27 3bsb h ALA 889 Ca 0.46 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 55.28 3bsb h ALA 889 Cb 0.63 -0.31 -0.05 0.00 0.00 0.00 0.00 17.79 18.07 3bsb h ALA 889 CO 1.17 0.51 -0.20 -0.92 0.00 0.00 0.00 179.25 179.81 3bsb h TYR 890 N 1.08 -0.53 -1.05 0.00 3.20 -1.85 -1.64 116.97 116.18 3bsb h TYR 890 Ca 0.27 0.02 0.29 0.00 3.14 0.00 0.00 58.73 62.45 3bsb h TYR 890 Cb 0.04 0.25 -0.06 0.00 1.54 0.00 0.00 36.73 38.49 3bsb h TYR 890 CO 0.00 -0.28 0.72 1.96 -1.64 0.00 0.00 178.16 178.92 3bsb h GLN 891 N -0.29 0.16 0.00 1.82 4.20 -1.92 0.11 115.11 119.19 3bsb h GLN 891 Ca 0.08 -0.01 -0.20 0.00 0.06 0.00 0.00 58.65 58.58 3bsb h GLN 891 Cb 0.40 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.11 3bsb h GLN 891 CO -0.23 0.11 -1.08 -0.07 -0.67 0.00 0.00 178.83 176.88 3bsb h LEU 892 N 0.17 0.00 -1.79 1.46 3.38 -1.35 -3.08 115.31 114.11 3bsb h LEU 892 Ca 0.53 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.49 3bsb h LEU 892 Cb 1.79 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.54 3bsb h LEU 892 CO -0.12 0.87 -0.08 0.24 0.09 0.00 0.00 178.44 179.44 3bsb h MET 893 N 0.00 0.00 -0.24 1.13 2.86 0.05 -0.26 114.93 118.47 3bsb h MET 893 Ca -0.08 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.56 3bsb h MET 893 Cb 1.73 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.39 3bsb h MET 893 CO 0.10 0.08 0.00 1.33 1.06 0.00 0.00 176.91 179.48 3bsb n VAL 894 N -3.33 0.62 -3.21 -2.22 0.24 -1.08 -2.09 118.33 107.27 3bsb n VAL 894 Ca -0.01 -0.81 -0.36 0.00 -2.04 0.00 0.00 64.34 61.12 3bsb n VAL 894 Cb 0.27 0.79 -0.06 0.00 -1.47 0.00 0.00 33.84 33.37 3bsb n VAL 894 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3bsb s ASP 895 N -1.01 6.98 0.32 -1.34 -1.08 -0.94 -4.73 116.67 114.88 3bsb s ASP 895 Ca 0.21 1.29 0.05 0.00 -0.52 0.00 0.00 52.55 53.58 3bsb s ASP 895 Cb 0.12 -2.37 0.69 0.00 -1.46 0.00 0.00 42.92 39.91 3bsb s ASP 895 CO 0.17 0.08 1.86 1.62 0.52 0.00 0.00 175.17 179.42 3bsb h VAL 896 N 2.84 0.88 0.00 1.11 3.04 -1.92 -3.11 116.25 119.10 3bsb h VAL 896 Ca -0.48 -0.29 -0.13 0.00 -1.01 0.00 0.00 66.70 64.79 3bsb h VAL 896 Cb 1.20 -0.02 -0.02 0.00 -2.01 0.00 0.00 31.29 30.43 3bsb h VAL 896 CO 0.65 0.15 -1.50 0.49 -1.01 0.00 0.00 177.57 176.36 3bsb n PHE 897 N -4.58 0.00 0.17 3.17 3.01 -1.26 -4.69 117.46 113.28 3bsb n PHE 897 Ca 0.18 0.00 0.04 0.00 1.01 0.00 0.00 57.45 58.68 3bsb n PHE 897 Cb 0.40 -0.35 0.46 0.00 -0.01 0.00 0.00 39.48 39.98 3bsb n PHE 897 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 3bsb h GLY 898 N 1.34 0.13 0.93 1.37 0.00 -1.43 -3.05 103.07 102.36 3bsb h GLY 898 Ca -0.20 -0.07 0.07 0.00 0.00 0.00 0.00 47.33 47.13 3bsb h GLY 898 CO 0.01 0.07 0.47 3.45 0.00 0.00 0.00 176.54 180.53 3bsb h ASN 899 N 0.12 0.00 1.32 0.19 7.08 -0.98 0.11 115.58 123.42 3bsb h ASN 899 Ca 0.03 0.00 -0.11 0.00 -3.08 0.00 0.00 56.30 53.13 3bsb h ASN 899 Cb 0.30 0.00 -0.02 0.00 -2.08 0.00 0.00 38.32 36.52 3bsb h ASN 899 CO 0.02 0.00 -0.54 1.88 -2.08 0.00 0.00 177.43 176.71 3bsb h TYR 900 N 0.00 0.00 -0.14 4.14 -1.99 -1.83 -2.81 116.97 114.34 3bsb h TYR 900 Ca 0.11 0.00 -0.10 0.00 2.00 0.00 0.00 58.73 60.74 3bsb h TYR 900 Cb 1.05 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.78 3bsb h TYR 900 CO 0.00 0.54 -0.31 0.28 -0.00 0.00 0.00 178.16 178.67 3bsb h VAL 901 N 0.00 1.36 -0.30 -2.88 2.07 -0.98 -2.13 116.25 113.40 3bsb h VAL 901 Ca -0.01 -1.58 -0.02 0.00 0.82 0.00 0.00 66.70 65.91 3bsb h VAL 901 Cb 1.35 2.03 -0.01 0.00 -1.52 0.00 0.00 31.29 33.13 3bsb h VAL 901 CO 0.07 0.47 0.10 0.40 0.02 0.00 0.00 177.57 178.63 3bsb h ILE 902 N 0.07 1.19 -0.99 4.57 2.04 -1.60 -2.81 117.51 119.98 3bsb h ILE 902 Ca 0.00 -0.61 0.08 0.00 1.00 0.00 0.00 64.86 65.33 3bsb h ILE 902 Cb 0.91 1.04 -0.07 0.00 -0.74 0.00 0.00 36.82 37.96 3bsb h ILE 902 CO 0.07 0.21 0.64 1.56 0.00 0.00 0.00 178.15 180.62 3bsb h GLN 903 N 0.33 1.09 0.00 2.37 4.20 -1.49 -0.11 115.11 121.50 3bsb h GLN 903 Ca 0.10 -0.07 -0.02 0.00 0.06 0.00 0.00 58.65 58.73 3bsb h GLN 903 Cb 0.22 -0.25 -0.00 0.00 0.30 0.00 0.00 27.48 27.75 3bsb h GLN 903 CO -0.00 0.72 -0.08 -0.22 -0.67 0.00 0.00 178.83 178.58 3bsb h LYS 904 N 1.12 0.00 0.00 1.46 3.64 -1.13 -1.29 116.57 120.38 3bsb h LYS 904 Ca 0.44 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.82 3bsb h LYS 904 Cb 0.23 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.05 3bsb h LYS 904 CO -0.18 0.08 -0.02 0.74 -2.27 0.00 0.00 179.45 177.80 3bsb h PHE 905 N 0.00 0.00 0.00 1.91 0.04 -0.86 0.13 116.94 118.15 3bsb h PHE 905 Ca -0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 3bsb h PHE 905 Cb 0.30 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.45 3bsb h PHE 905 CO 0.00 0.02 -0.19 1.19 -0.60 0.00 0.00 178.31 178.72 3bsb n PHE 906 N -3.10 0.31 -0.05 -0.55 3.01 -0.50 -2.34 117.46 114.23 3bsb n PHE 906 Ca 0.03 0.09 -0.05 0.00 1.01 0.00 0.00 57.45 58.53 3bsb n PHE 906 Cb 0.50 -0.58 -0.02 0.00 -0.01 0.00 0.00 39.48 39.37 3bsb n PHE 906 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 3bsb n GLU 907 N -1.78 0.32 -1.06 -1.08 1.02 -0.91 -4.69 120.64 112.47 3bsb n GLU 907 Ca 0.06 0.15 -0.14 0.00 -0.02 0.00 0.00 57.16 57.21 3bsb n GLU 907 Cb 0.38 -1.09 0.22 0.00 -0.02 0.00 0.00 31.44 30.93 3bsb n GLU 907 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 3bsb n PHE 908 N -3.71 2.42 -3.48 -0.32 3.01 0.39 -5.00 117.46 110.78 3bsb n PHE 908 Ca -0.08 -1.57 -0.20 0.00 1.01 0.00 0.00 57.45 56.60 3bsb n PHE 908 Cb 0.31 -0.76 -0.02 0.00 -0.01 0.00 0.00 39.48 39.00 3bsb n PHE 908 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 3bsb s GLY 909 N -1.50 2.04 0.30 1.37 0.00 -0.99 -4.93 107.32 103.62 3bsb s GLY 909 Ca 0.53 -1.80 -0.08 0.00 0.00 0.00 0.00 44.72 43.37 3bsb s GLY 909 CO 0.09 -1.63 0.62 -1.35 0.00 0.00 0.00 173.10 170.83 3bsb s SER 910 N -4.16 6.53 0.34 1.64 1.04 -1.26 -4.88 113.70 112.95 3bsb s SER 910 Ca 0.49 0.91 0.13 0.00 0.48 0.00 0.00 55.95 57.95 3bsb s SER 910 Cb -0.05 -2.22 1.00 0.00 0.10 0.00 0.00 66.02 64.85 3bsb s SER 910 CO 0.29 -0.22 1.71 0.25 0.98 0.00 0.00 173.24 176.25 3bsb h LEU 911 N 1.83 0.58 -1.06 2.42 5.85 -1.99 0.38 115.31 123.33 3bsb h LEU 911 Ca -0.47 0.15 -0.07 0.00 0.84 0.00 0.00 57.88 58.33 3bsb h LEU 911 Cb 1.18 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 42.27 3bsb h LEU 911 CO 0.66 0.01 -0.09 -0.33 -0.34 0.00 0.00 178.44 178.34 3bsb h GLU 912 N 0.45 0.56 -0.15 1.25 3.07 -1.98 -0.29 114.58 117.49 3bsb h GLU 912 Ca 0.68 -0.16 -0.21 0.00 -0.50 0.00 0.00 59.36 59.17 3bsb h GLU 912 Cb 1.47 -0.06 0.01 0.00 -0.84 0.00 0.00 28.75 29.32 3bsb h GLU 912 CO -0.50 0.66 -0.74 1.96 -1.40 0.00 0.00 179.01 178.98 3bsb h GLN 913 N 0.52 0.77 -0.04 2.33 4.20 -0.72 -0.98 115.11 121.19 3bsb h GLN 913 Ca 0.10 -0.62 -0.00 0.00 0.06 0.00 0.00 58.65 58.18 3bsb h GLN 913 Cb 0.48 0.13 -0.00 0.00 0.30 0.00 0.00 27.48 28.39 3bsb h GLN 913 CO 0.03 1.23 0.01 0.87 -0.67 0.00 0.00 178.83 180.30 3bsb h LYS 914 N 0.49 0.06 -0.21 1.46 1.57 -0.73 -0.47 116.57 118.74 3bsb h LYS 914 Ca -0.05 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.67 3bsb h LYS 914 Cb 1.37 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.66 3bsb h LYS 914 CO 0.15 0.30 -0.05 -0.07 -0.57 0.00 0.00 179.45 179.21 3bsb h LEU 915 N -0.18 0.29 -0.30 2.94 3.38 -1.12 -1.69 115.31 118.63 3bsb h LEU 915 Ca 0.01 -0.05 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 3bsb h LEU 915 Cb 0.26 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 3bsb h LEU 915 CO 0.00 0.39 -0.01 0.00 0.09 0.00 0.00 178.44 178.91 3bsb h ALA 916 N 1.65 0.41 -0.81 1.53 0.00 -0.83 -1.68 119.26 119.53 3bsb h ALA 916 Ca 0.07 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 3bsb h ALA 916 Cb 0.29 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 3bsb h ALA 916 CO 0.01 0.16 0.35 -0.07 0.00 0.00 0.00 179.25 179.71 3bsb h LEU 917 N 0.33 1.10 -1.04 0.00 3.38 -0.70 -1.79 115.31 116.59 3bsb h LEU 917 Ca 0.08 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.90 3bsb h LEU 917 Cb 0.45 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.87 3bsb h LEU 917 CO 0.02 0.96 0.58 0.00 0.09 0.00 0.00 178.44 180.08 3bsb h ALA 918 N 1.19 1.29 -0.13 1.53 0.00 -1.10 -0.39 119.26 121.64 3bsb h ALA 918 Ca 0.27 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 3bsb h ALA 918 Cb 0.18 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3bsb h ALA 918 CO -0.03 0.63 -0.15 1.49 0.00 0.00 0.00 179.25 181.19 3bsb h GLU 919 N 1.26 0.21 0.00 0.00 4.57 -0.70 0.34 114.58 120.26 3bsb h GLU 919 Ca 0.33 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.46 3bsb h GLU 919 Cb -0.09 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 28.47 3bsb h GLU 919 CO -0.07 0.37 0.00 0.54 -1.18 0.00 0.00 179.01 178.68 3bsb n ARG 920 N -4.26 0.21 -0.06 1.92 5.12 -0.27 -3.40 116.66 115.91 3bsb n ARG 920 Ca -0.01 0.27 -0.12 0.00 -1.93 0.00 0.00 57.85 56.06 3bsb n ARG 920 Cb 0.28 -1.79 -0.15 0.00 -1.16 0.00 0.00 32.46 29.64 3bsb n ARG 920 CO 0.00 0.00 0.00 -0.89 -1.93 0.00 0.00 177.63 174.81 3bsb n ILE 921 N -2.16 1.53 -0.47 0.55 5.41 -0.05 -4.80 119.36 119.37 3bsb n ILE 921 Ca 0.04 -0.77 -0.16 0.00 1.00 0.00 0.00 62.75 62.86 3bsb n ILE 921 Cb 0.34 -0.95 0.01 0.00 -0.71 0.00 0.00 39.64 38.33 3bsb n ILE 921 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 3bsb n ARG 922 N -3.02 0.00 -0.26 0.38 1.74 -0.28 0.42 116.66 115.64 3bsb n ARG 922 Ca -0.29 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.79 3bsb n ARG 922 Cb 1.08 -0.45 0.00 0.00 -1.02 0.00 0.00 32.46 32.08 3bsb n ARG 922 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3bsb n GLY 923 N 1.44 0.00 0.00 -0.13 0.00 -1.26 -4.47 105.19 100.77 3bsb n GLY 923 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3bsb n GLY 923 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3bsb n HIS 924 N -1.63 0.00 -0.33 1.61 8.25 0.17 -4.84 115.22 118.45 3bsb n HIS 924 Ca 0.00 -0.14 0.13 0.00 -0.26 0.00 0.00 57.72 57.45 3bsb n HIS 924 Cb 0.00 -0.01 0.32 0.00 1.12 0.00 0.00 29.99 31.42 3bsb n HIS 924 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 3bsb h VAL 925 N 0.40 0.60 0.00 1.59 2.07 -1.76 0.23 116.25 119.39 3bsb h VAL 925 Ca 0.00 -0.20 -0.00 0.00 0.82 0.00 0.00 66.70 67.32 3bsb h VAL 925 Cb 0.30 -0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.02 3bsb h VAL 925 CO 0.00 0.11 -0.00 0.25 0.02 0.00 0.00 177.57 177.95 3bsb h LEU 926 N 0.60 -0.00 -1.10 2.57 5.85 -1.88 -2.17 115.31 119.18 3bsb h LEU 926 Ca 0.57 -0.84 0.17 0.00 0.84 0.00 0.00 57.88 58.62 3bsb h LEU 926 Cb 0.99 0.00 -0.09 0.00 0.37 0.00 0.00 40.66 41.93 3bsb h LEU 926 CO -0.44 0.84 0.61 -1.28 -0.34 0.00 0.00 178.44 177.83 3bsb h SER 927 N -0.84 0.77 0.64 1.25 0.87 -1.81 -0.53 113.55 113.90 3bsb h SER 927 Ca -0.00 0.07 -0.20 0.00 -1.23 0.00 0.00 61.79 60.43 3bsb h SER 927 Cb 0.84 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.71 3bsb h SER 927 CO 0.00 0.33 -0.92 -0.07 -0.53 0.00 0.00 176.83 175.65 3bsb h LEU 928 N 0.78 0.23 -1.62 2.23 3.38 -1.04 -3.12 115.31 116.17 3bsb h LEU 928 Ca 0.53 -0.20 -0.03 0.00 0.09 0.00 0.00 57.88 58.27 3bsb h LEU 928 Cb 0.79 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.47 3bsb h LEU 928 CO -0.31 1.03 -0.13 0.00 0.09 0.00 0.00 178.44 179.12 3bsb h ALA 929 N 0.95 1.12 -0.03 1.53 0.00 -0.42 0.48 119.26 122.89 3bsb h ALA 929 Ca -0.05 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3bsb h ALA 929 Cb 1.57 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.34 3bsb h ALA 929 CO 0.14 0.16 -0.05 1.28 0.00 0.00 0.00 179.25 180.78 3bsb n LEU 930 N -3.42 2.89 -4.77 0.00 4.77 -0.86 -2.07 117.00 113.55 3bsb n LEU 930 Ca -0.01 -0.97 -0.38 0.00 -0.03 0.00 0.00 56.01 54.62 3bsb n LEU 930 Cb 0.31 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.34 3bsb n LEU 930 CO 0.30 0.49 0.17 -1.58 -1.33 0.00 0.00 177.39 175.44 3bsb s GLN 931 N -2.05 4.21 0.31 3.23 -0.44 -0.93 -4.81 119.66 119.19 3bsb s GLN 931 Ca 0.27 0.49 0.03 0.00 -2.50 0.00 0.00 55.36 53.64 3bsb s GLN 931 Cb 0.20 -3.35 0.78 0.00 -1.64 0.00 0.00 33.01 29.00 3bsb s GLN 931 CO 0.33 0.37 1.58 1.98 0.50 0.00 0.00 175.29 180.05 3bsb h MET 932 N 5.85 0.03 0.00 1.67 1.85 -1.92 -1.66 114.93 120.75 3bsb h MET 932 Ca -0.45 -0.00 -0.24 0.00 -0.61 0.00 0.00 59.70 58.39 3bsb h MET 932 Cb 1.20 -0.01 -0.05 0.00 0.43 0.00 0.00 31.60 33.17 3bsb h MET 932 CO 0.70 0.02 -2.08 0.66 -0.40 0.00 0.00 176.91 175.81 3bsb n TYR 933 N -5.44 0.00 -0.32 1.39 4.02 -1.26 -4.50 117.16 111.05 3bsb n TYR 933 Ca 0.24 0.00 -0.01 0.00 -0.01 0.00 0.00 57.90 58.12 3bsb n TYR 933 Cb 0.78 -0.74 0.16 0.00 -0.02 0.00 0.00 39.34 39.52 3bsb n TYR 933 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 3bsb h GLY 934 N 3.31 1.29 1.06 2.72 0.00 -1.00 -2.04 103.07 108.41 3bsb h GLY 934 Ca -0.36 -0.48 0.05 0.00 0.00 0.00 0.00 47.33 46.54 3bsb h GLY 934 CO 0.02 0.47 0.51 0.00 0.00 0.00 0.00 176.54 177.54 3bsb h ARG 936 N 0.90 0.81 -0.42 0.00 2.47 -1.61 -0.77 114.38 115.76 3bsb h ARG 936 Ca 0.32 -0.16 -0.12 0.00 -1.26 0.00 0.00 59.98 58.76 3bsb h ARG 936 Cb 0.13 -0.13 -0.01 0.00 -1.65 0.00 0.00 29.97 28.32 3bsb h ARG 936 CO -0.10 0.72 -0.20 0.28 0.56 0.00 0.00 179.97 181.23 3bsb h VAL 937 N 0.78 1.28 -0.60 2.04 2.07 -0.93 -2.77 116.25 118.11 3bsb h VAL 937 Ca 0.17 -1.34 -0.04 0.00 0.82 0.00 0.00 66.70 66.31 3bsb h VAL 937 Cb 0.27 1.24 -0.03 0.00 -1.52 0.00 0.00 31.29 31.26 3bsb h VAL 937 CO -0.00 0.45 0.22 0.40 0.02 0.00 0.00 177.57 178.66 3bsb h ILE 938 N 0.70 1.24 -0.48 4.57 1.08 -0.73 -0.79 117.51 123.11 3bsb h ILE 938 Ca 0.09 -0.77 0.00 0.00 -0.39 0.00 0.00 64.86 63.80 3bsb h ILE 938 Cb 0.76 0.60 -0.02 0.00 -3.07 0.00 0.00 36.82 35.09 3bsb h ILE 938 CO 0.06 0.29 0.30 1.56 -0.69 0.00 0.00 178.15 179.67 3bsb h GLN 939 N 0.85 0.64 -0.21 2.37 4.20 -1.08 -1.17 115.11 120.70 3bsb h GLN 939 Ca 0.20 -0.05 -0.14 0.00 0.06 0.00 0.00 58.65 58.72 3bsb h GLN 939 Cb 0.24 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.87 3bsb h GLN 939 CO -0.01 0.45 -0.45 -0.22 -0.67 0.00 0.00 178.83 177.92 3bsb h LYS 940 N 0.64 0.54 0.30 1.46 3.64 -1.37 -2.88 116.57 118.91 3bsb h LYS 940 Ca 0.17 -0.30 -0.01 0.00 -1.27 0.00 0.00 60.65 59.25 3bsb h LYS 940 Cb -0.03 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.79 3bsb h LYS 940 CO -0.03 0.89 -0.20 0.00 -2.27 0.00 0.00 179.45 177.84 3bsb h ALA 941 N 1.07 -0.47 -0.16 5.00 0.00 -0.75 -1.07 119.26 122.87 3bsb h ALA 941 Ca 0.03 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 54.90 3bsb h ALA 941 Cb 0.97 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 3bsb h ALA 941 CO 0.09 -0.78 0.27 -0.07 0.00 0.00 0.00 179.25 178.76 3bsb h LEU 942 N -0.49 0.00 -0.03 0.00 3.38 -1.18 -1.14 115.31 115.85 3bsb h LEU 942 Ca -0.03 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.71 3bsb h LEU 942 Cb 0.41 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 3bsb h LEU 942 CO 0.02 0.00 -1.07 -0.08 0.09 0.00 0.00 178.44 177.40 3bsb h GLU 943 N 0.00 0.19 -0.01 1.13 4.81 -0.98 -3.39 114.58 116.33 3bsb h GLU 943 Ca 0.08 -0.29 0.00 0.00 -0.13 0.00 0.00 59.36 59.02 3bsb h GLU 943 Cb 0.62 0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.10 3bsb h GLU 943 CO -0.00 1.09 0.00 1.19 -0.73 0.00 0.00 179.01 180.56 3bsb n PHE 944 N -3.54 0.02 -3.81 0.92 3.01 -0.52 -5.04 117.46 108.49 3bsb n PHE 944 Ca -0.05 -0.21 -0.28 0.00 1.01 0.00 0.00 57.45 57.92 3bsb n PHE 944 Cb 0.93 -0.02 -0.03 0.00 -0.01 0.00 0.00 39.48 40.35 3bsb n PHE 944 CO 0.00 0.00 0.00 0.96 1.01 0.00 0.00 176.76 178.73 3bsb s ILE 945 N -0.47 5.27 0.89 4.37 -4.36 -0.66 -5.04 121.20 121.19 3bsb s ILE 945 Ca 0.02 -0.43 -0.14 0.00 -0.26 0.00 0.00 60.65 59.83 3bsb s ILE 945 Cb 0.01 -3.71 -0.02 0.00 1.25 0.00 0.00 42.46 39.99 3bsb s ILE 945 CO 0.01 -0.07 0.22 -2.65 0.24 0.00 0.00 174.94 172.69 3bsb n PRO 946 N -0.39 -0.08 -0.18 0.37 -0.02 -1.26 -4.64 135.00 128.80 3bsb n PRO 946 Ca -0.05 0.01 0.06 0.00 -2.02 0.00 0.00 63.50 61.50 3bsb n PRO 946 Cb 0.53 -1.68 0.35 0.00 -0.02 0.00 0.00 33.50 32.68 3bsb n PRO 946 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3bsb h SER 947 N -1.11 0.67 -0.40 2.55 4.64 -1.98 -0.92 113.55 117.01 3bsb h SER 947 Ca -0.44 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 60.73 3bsb h SER 947 Cb 1.31 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 63.25 3bsb h SER 947 CO 0.35 0.44 -0.33 0.44 -0.87 0.00 0.00 176.83 176.86 3bsb h ASP 948 N 0.77 0.98 0.57 4.97 3.45 -2.00 -1.66 116.42 123.50 3bsb h ASP 948 Ca 0.30 -0.45 -0.05 0.00 0.43 0.00 0.00 57.03 57.27 3bsb h ASP 948 Cb 0.22 -0.27 -0.01 0.00 -0.56 0.00 0.00 39.33 38.71 3bsb h ASP 948 CO -0.10 1.22 -0.24 1.56 -1.57 0.00 0.00 179.24 180.11 3bsb h GLN 949 N 0.75 0.00 0.14 3.56 7.50 -1.69 -1.53 115.11 123.83 3bsb h GLN 949 Ca 0.07 0.00 -0.01 0.00 0.50 0.00 0.00 58.65 59.22 3bsb h GLN 949 Cb 0.91 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.45 3bsb h GLN 949 CO 0.08 0.24 -0.07 1.96 -1.50 0.00 0.00 178.83 179.55 3bsb h GLN 950 N 0.00 -0.18 -0.61 1.46 4.20 -0.90 -2.77 115.11 116.29 3bsb h GLN 950 Ca -0.00 0.01 0.06 0.00 0.06 0.00 0.00 58.65 58.78 3bsb h GLN 950 Cb 0.59 0.04 -0.05 0.00 0.30 0.00 0.00 27.48 28.36 3bsb h GLN 950 CO 0.03 0.27 0.33 -0.91 -0.67 0.00 0.00 178.83 177.88 3bsb h ASN 951 N -0.78 0.47 -0.24 1.46 2.35 -1.15 -0.11 115.58 117.58 3bsb h ASN 951 Ca -0.02 0.03 0.05 0.00 -0.55 0.00 0.00 56.30 55.81 3bsb h ASN 951 Cb 0.54 -0.06 -0.04 0.00 0.05 0.00 0.00 38.32 38.81 3bsb h ASN 951 CO 0.03 0.31 -0.06 -0.33 -1.65 0.00 0.00 177.43 175.73 3bsb h GLU 952 N 0.61 0.00 0.34 0.81 5.08 -1.35 -1.54 114.58 118.53 3bsb h GLU 952 Ca 0.28 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.62 3bsb h GLU 952 Cb 0.18 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.44 3bsb h GLU 952 CO -0.18 0.00 -0.16 1.98 -1.00 0.00 0.00 179.01 179.65 3bsb h MET 953 N 0.00 -0.44 0.00 2.33 4.05 -1.11 -2.97 114.93 116.80 3bsb h MET 953 Ca 0.11 0.03 -0.01 0.00 -0.28 0.00 0.00 59.70 59.55 3bsb h MET 953 Cb 0.17 0.10 -0.00 0.00 -0.80 0.00 0.00 31.60 31.07 3bsb h MET 953 CO -0.24 -0.27 -0.05 -0.24 0.23 0.00 0.00 176.91 176.34 3bsb h VAL 954 N -0.50 0.42 0.00 -5.77 3.04 -0.92 -1.94 116.25 110.59 3bsb h VAL 954 Ca -0.05 -0.27 -0.01 0.00 -1.01 0.00 0.00 66.70 65.37 3bsb h VAL 954 Cb 0.38 1.18 -0.00 0.00 -2.01 0.00 0.00 31.29 30.84 3bsb h VAL 954 CO 0.08 0.05 -0.05 0.03 -1.01 0.00 0.00 177.57 176.67 3bsb h ARG 955 N 0.00 0.00 0.00 4.17 3.08 -1.11 -1.93 114.38 118.60 3bsb h ARG 955 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3bsb h ARG 955 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.23 3bsb h ARG 955 CO 0.01 0.05 0.00 0.39 -1.07 0.00 0.00 179.97 179.35 3bsb n GLU 956 N -3.26 0.35 0.02 0.04 1.02 -0.73 -2.61 120.64 115.48 3bsb n GLU 956 Ca -0.01 0.07 0.06 0.00 -0.02 0.00 0.00 57.16 57.27 3bsb n GLU 956 Cb 0.24 -1.50 -0.10 0.00 -0.02 0.00 0.00 31.44 30.07 3bsb n GLU 956 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3bsb n LEU 957 N -1.26 0.44 -4.60 -4.62 4.32 -0.72 -4.67 117.00 105.89 3bsb n LEU 957 Ca 0.11 0.18 -0.53 0.00 -0.02 0.00 0.00 56.01 55.75 3bsb n LEU 957 Cb 0.17 0.05 -0.07 0.00 -1.62 0.00 0.00 43.42 41.95 3bsb n LEU 957 CO 0.16 0.03 1.55 -0.67 -1.22 0.00 0.00 177.39 177.24 3bsb n ASP 958 N -2.57 2.55 0.00 -1.43 4.64 -1.07 0.73 116.55 119.40 3bsb n ASP 958 Ca -0.07 0.80 0.00 0.00 -1.38 0.00 0.00 54.79 54.14 3bsb n ASP 958 Cb 0.69 -1.24 0.00 0.00 -1.04 0.00 0.00 41.12 39.53 3bsb n ASP 958 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3bsb n GLY 959 N 5.16 0.64 0.06 0.27 0.00 -1.26 -4.90 105.19 105.15 3bsb n GLY 959 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.34 3bsb n GLY 959 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3bsb n HIS 960 N -1.72 0.00 0.08 1.61 8.25 0.23 -4.91 115.22 118.76 3bsb n HIS 960 Ca 0.00 -0.18 -0.16 0.00 -0.26 0.00 0.00 57.72 57.12 3bsb n HIS 960 Cb 0.00 -0.03 -0.09 0.00 1.12 0.00 0.00 29.99 30.99 3bsb n HIS 960 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 3bsb h VAL 961 N 2.47 0.03 -0.41 1.59 2.07 -1.89 -2.16 116.25 117.95 3bsb h VAL 961 Ca 0.00 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.64 3bsb h VAL 961 Cb 0.91 0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.69 3bsb h VAL 961 CO 0.00 0.00 0.33 -0.07 0.02 0.00 0.00 177.57 177.85 3bsb h LEU 962 N -0.69 0.00 0.07 2.57 4.07 -1.93 0.68 115.31 120.07 3bsb h LEU 962 Ca 0.01 0.00 -0.25 0.00 0.08 0.00 0.00 57.88 57.72 3bsb h LEU 962 Cb 0.73 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.46 3bsb h LEU 962 CO -0.32 0.00 -1.19 0.50 -1.08 0.00 0.00 178.44 176.35 3bsb h LYS 963 N 0.00 0.15 -0.05 1.13 3.64 -1.84 -3.00 116.57 116.59 3bsb h LYS 963 Ca 0.19 -0.25 -0.17 0.00 -1.27 0.00 0.00 60.65 59.15 3bsb h LYS 963 Cb 0.86 0.09 0.01 0.00 -0.41 0.00 0.00 32.23 32.78 3bsb h LYS 963 CO -0.00 1.09 -0.63 0.00 -2.27 0.00 0.00 179.45 177.63 3bsb h VAL 965 N 0.10 0.48 -0.52 0.00 2.07 -1.04 0.63 116.25 117.96 3bsb h VAL 965 Ca -0.06 -0.53 0.00 0.00 0.82 0.00 0.00 66.70 66.93 3bsb h VAL 965 Cb 1.31 1.36 0.00 0.00 -1.52 0.00 0.00 31.29 32.44 3bsb h VAL 965 CO 0.13 0.11 0.00 0.29 0.02 0.00 0.00 177.57 178.11 3bsb n LYS 966 N -3.54 2.71 -4.19 1.57 5.02 -1.13 -3.83 118.16 114.77 3bsb n LYS 966 Ca -0.02 -2.33 -0.35 0.00 -2.02 0.00 0.00 58.31 53.60 3bsb n LYS 966 Cb 0.24 -1.43 -0.09 0.00 -0.02 0.00 0.00 35.03 33.73 3bsb n LYS 966 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3bsb s ASP 967 N -1.03 5.46 0.43 4.39 -1.08 -1.03 -5.00 116.67 118.81 3bsb s ASP 967 Ca 0.36 0.13 0.21 0.00 -0.52 0.00 0.00 52.55 52.73 3bsb s ASP 967 Cb 0.19 -1.75 1.18 0.00 -1.46 0.00 0.00 42.92 41.08 3bsb s ASP 967 CO 0.25 0.29 1.82 0.06 0.52 0.00 0.00 175.17 178.11 3bsb h GLN 968 N 5.82 0.31 0.00 4.34 3.07 -1.91 -1.36 115.11 125.38 3bsb h GLN 968 Ca -0.44 -0.02 -0.15 0.00 0.09 0.00 0.00 58.65 58.12 3bsb h GLN 968 Cb 1.19 -0.07 -0.02 0.00 0.08 0.00 0.00 27.48 28.65 3bsb h GLN 968 CO 0.61 0.21 -1.08 0.09 0.09 0.00 0.00 178.83 178.75 3bsb n ASN 969 N -4.50 1.85 -0.34 0.06 3.02 -1.26 -4.49 115.26 109.60 3bsb n ASN 969 Ca 0.22 0.49 0.18 0.00 -0.03 0.00 0.00 54.58 55.44 3bsb n ASN 969 Cb 0.84 -0.91 0.39 0.00 -0.61 0.00 0.00 39.78 39.50 3bsb n ASN 969 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 3bsb h GLY 970 N -1.00 1.80 1.60 7.41 0.00 -1.16 -1.17 103.07 110.55 3bsb h GLY 970 Ca -0.23 -0.30 0.04 0.00 0.00 0.00 0.00 47.33 46.83 3bsb h GLY 970 CO -0.14 -0.20 0.19 3.45 0.00 0.00 0.00 176.54 179.83 3bsb h ASN 971 N 0.58 0.19 0.46 0.19 7.08 0.14 -0.85 115.58 123.38 3bsb h ASN 971 Ca 0.63 -0.00 -0.14 0.00 -3.08 0.00 0.00 56.30 53.71 3bsb h ASN 971 Cb 1.22 -0.04 -0.01 0.00 -2.08 0.00 0.00 38.32 37.40 3bsb h ASN 971 CO -0.44 0.13 -0.61 0.45 -2.08 0.00 0.00 177.43 174.88 3bsb h HIS 972 N 0.23 0.19 -0.21 4.14 3.86 -1.45 -1.59 115.15 120.32 3bsb h HIS 972 Ca 0.12 -0.07 -0.11 0.00 -1.16 0.00 0.00 60.37 59.15 3bsb h HIS 972 Cb 0.19 -0.03 -0.00 0.00 1.06 0.00 0.00 27.41 28.63 3bsb h HIS 972 CO -0.00 0.72 -0.29 0.28 0.86 0.00 0.00 177.93 179.50 3bsb h VAL 973 N 0.11 1.33 -0.57 2.45 2.07 -1.22 -2.30 116.25 118.12 3bsb h VAL 973 Ca -0.01 -1.49 -0.03 0.00 0.82 0.00 0.00 66.70 65.99 3bsb h VAL 973 Cb 1.11 1.79 -0.03 0.00 -1.52 0.00 0.00 31.29 32.64 3bsb h VAL 973 CO 0.09 0.46 0.22 0.58 0.02 0.00 0.00 177.57 178.94 3bsb h VAL 974 N 0.24 1.21 -0.65 2.57 2.07 -1.17 -2.04 116.25 118.48 3bsb h VAL 974 Ca 0.02 -0.66 -0.09 0.00 0.82 0.00 0.00 66.70 66.80 3bsb h VAL 974 Cb 0.86 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 3bsb h VAL 974 CO 0.07 0.26 0.06 1.56 0.02 0.00 0.00 177.57 179.54 3bsb h GLN 975 N 0.82 1.10 -0.14 1.57 4.20 -1.22 -2.63 115.11 118.80 3bsb h GLN 975 Ca 0.19 -0.32 -0.06 0.00 0.06 0.00 0.00 58.65 58.53 3bsb h GLN 975 Cb 0.17 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.82 3bsb h GLN 975 CO -0.02 1.03 -0.18 -0.22 -0.67 0.00 0.00 178.83 178.78 3bsb h LYS 976 N 1.02 0.24 -0.53 1.46 1.63 -0.83 -2.28 116.57 117.28 3bsb h LYS 976 Ca 0.19 -0.06 -0.08 0.00 -0.85 0.00 0.00 60.65 59.84 3bsb h LYS 976 Cb 0.50 -0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 32.08 3bsb h LYS 976 CO 0.02 0.42 0.00 0.00 -3.45 0.00 0.00 179.45 176.44 3bsb h ILE 978 N 0.81 0.87 0.06 0.00 2.04 -1.19 -0.83 117.51 119.27 3bsb h ILE 978 Ca 0.15 -0.74 -0.12 0.00 1.00 0.00 0.00 64.86 65.15 3bsb h ILE 978 Cb 0.52 1.43 0.00 0.00 -0.74 0.00 0.00 36.82 38.04 3bsb h ILE 978 CO 0.03 0.19 -0.58 -0.33 0.00 0.00 0.00 178.15 177.46 3bsb h GLU 979 N 0.00 0.13 0.00 2.37 5.08 -0.79 -3.43 114.58 117.94 3bsb h GLU 979 Ca -0.00 -0.22 -0.23 0.00 -1.00 0.00 0.00 59.36 57.91 3bsb h GLU 979 Cb 0.42 0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.71 3bsb h GLU 979 CO 0.03 1.11 -1.86 0.00 -1.00 0.00 0.00 179.01 177.29 3bsb s VAL 981 N -2.30 4.11 0.22 0.00 1.01 -0.32 -4.97 120.40 118.15 3bsb s VAL 981 Ca -0.08 1.94 -0.30 0.00 0.00 0.00 0.00 61.98 63.53 3bsb s VAL 981 Cb 0.04 -4.24 -0.15 0.00 0.00 0.00 0.00 36.38 32.03 3bsb s VAL 981 CO 0.49 0.39 0.97 0.00 0.00 0.00 0.00 175.10 176.94 3bsb n GLN 982 N 2.03 0.96 -0.20 2.72 6.02 -1.26 -4.74 117.38 122.90 3bsb n GLN 982 Ca 0.00 0.34 -0.05 0.00 -0.01 0.00 0.00 57.00 57.28 3bsb n GLN 982 Cb 0.47 -1.68 0.05 0.00 1.02 0.00 0.00 30.24 30.10 3bsb n GLN 982 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 3bsb h PRO 983 N 2.32 0.69 -1.02 -1.09 0.13 -1.92 -3.12 132.00 128.00 3bsb h PRO 983 Ca -0.39 -0.04 0.27 0.00 -0.87 0.00 0.00 66.00 64.97 3bsb h PRO 983 Cb 1.37 -0.16 -0.13 0.00 0.13 0.00 0.00 31.00 32.21 3bsb h PRO 983 CO 0.63 0.46 0.60 -0.56 -0.23 0.00 0.00 178.00 178.91 3bsb h GLN 984 N 0.71 0.47 -0.10 0.86 -0.00 -2.00 0.91 115.11 115.97 3bsb h GLN 984 Ca 0.23 -0.03 0.00 0.00 -0.00 0.00 0.00 58.65 58.86 3bsb h GLN 984 Cb 0.01 -0.11 0.00 0.00 -0.00 0.00 0.00 27.48 27.39 3bsb h GLN 984 CO -0.10 0.31 0.00 -1.13 -0.00 0.00 0.00 178.83 177.92 3bsb n SER 985 N -4.90 0.32 -0.62 0.06 3.41 -1.18 -3.22 113.62 107.49 3bsb n SER 985 Ca 0.28 -2.00 0.06 0.00 -0.26 0.00 0.00 58.87 56.95 3bsb n SER 985 Cb 0.84 -0.06 0.13 0.00 -0.26 0.00 0.00 64.21 64.86 3bsb n SER 985 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3bsb n LEU 986 N -0.33 2.71 -0.18 1.04 4.32 0.32 -4.67 117.00 120.20 3bsb n LEU 986 Ca 0.02 -1.72 -0.02 0.00 -0.02 0.00 0.00 56.01 54.27 3bsb n LEU 986 Cb 0.06 -0.18 0.08 0.00 -1.62 0.00 0.00 43.42 41.76 3bsb n LEU 986 CO 0.01 0.64 0.96 1.56 -1.22 0.00 0.00 177.39 179.35 3bsb h GLN 987 N 2.21 0.34 -0.54 3.23 1.08 -1.60 -1.04 115.11 118.80 3bsb h GLN 987 Ca 0.00 -0.02 0.16 0.00 -1.45 0.00 0.00 58.65 57.33 3bsb h GLN 987 Cb 0.68 -0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 28.01 3bsb h GLN 987 CO 0.00 0.23 0.54 0.27 -0.95 0.00 0.00 178.83 178.91 3bsb h PHE 988 N 0.35 0.00 -0.00 2.96 -5.15 -1.89 0.72 116.94 113.93 3bsb h PHE 988 Ca 0.27 0.00 -0.21 0.00 -0.20 0.00 0.00 57.97 57.83 3bsb h PHE 988 Cb 0.31 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 36.48 3bsb h PHE 988 CO -0.18 0.00 -0.89 0.82 -2.00 0.00 0.00 178.31 176.06 3bsb h ILE 989 N 0.00 1.45 -0.14 0.88 2.04 -1.54 -1.77 117.51 118.43 3bsb h ILE 989 Ca 0.25 -2.53 -0.19 0.00 1.00 0.00 0.00 64.86 63.40 3bsb h ILE 989 Cb 1.33 2.43 -0.00 0.00 -0.74 0.00 0.00 36.82 39.83 3bsb h ILE 989 CO -0.00 0.74 -0.68 0.40 0.00 0.00 0.00 178.15 178.61 3bsb h ILE 990 N 0.16 1.33 -0.52 -0.67 1.08 0.37 -2.80 117.51 116.45 3bsb h ILE 990 Ca -0.06 -1.97 -0.04 0.00 -0.39 0.00 0.00 64.86 62.40 3bsb h ILE 990 Cb 1.52 1.95 -0.02 0.00 -3.07 0.00 0.00 36.82 37.20 3bsb h ILE 990 CO 0.14 0.61 0.16 0.44 -0.69 0.00 0.00 178.15 178.81 3bsb h ASP 991 N 0.42 0.77 -0.44 1.72 3.45 -0.80 -2.65 116.42 118.89 3bsb h ASP 991 Ca -0.02 -0.21 -0.01 0.00 0.43 0.00 0.00 57.03 57.21 3bsb h ASP 991 Cb 1.27 -0.20 -0.02 0.00 -0.56 0.00 0.00 39.33 39.82 3bsb h ASP 991 CO 0.13 0.78 0.25 0.00 -1.57 0.00 0.00 179.24 178.82 3bsb h ALA 992 N 1.02 1.55 0.00 3.45 0.00 -1.26 -1.72 119.26 122.30 3bsb h ALA 992 Ca 0.17 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3bsb h ALA 992 Cb 0.29 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3bsb h ALA 992 CO -0.00 0.37 0.00 1.19 0.00 0.00 0.00 179.25 180.81 3bsb n PHE 993 N -4.41 0.00 -1.68 0.00 3.01 -1.01 -4.67 117.46 108.71 3bsb n PHE 993 Ca 0.04 0.00 -0.46 0.00 1.01 0.00 0.00 57.45 58.04 3bsb n PHE 993 Cb 0.10 -0.29 -0.04 0.00 -0.01 0.00 0.00 39.48 39.24 3bsb n PHE 993 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 3bsb n LYS 994 N -1.29 2.38 -0.88 -1.08 3.00 -0.65 -0.75 118.16 118.89 3bsb n LYS 994 Ca 0.09 0.87 0.00 0.00 -0.00 0.00 0.00 58.31 59.27 3bsb n LYS 994 Cb 0.16 -2.71 0.00 0.00 0.00 0.00 0.00 35.03 32.48 3bsb n LYS 994 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3bsb n GLY 995 N 4.05 0.28 0.10 3.14 0.00 -1.26 -4.81 105.19 106.69 3bsb n GLY 995 Ca 0.19 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.25 3bsb n GLY 995 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3bsb n GLN 996 N -1.17 3.18 -0.20 1.61 1.13 0.07 -4.75 117.38 117.24 3bsb n GLN 996 Ca 0.00 -0.30 -0.02 0.00 -1.94 0.00 0.00 57.00 54.74 3bsb n GLN 996 Cb 0.18 -0.96 0.04 0.00 0.11 0.00 0.00 30.24 29.61 3bsb n GLN 996 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 3bsb h VAL 997 N 0.51 0.30 -0.41 5.09 2.07 -1.85 0.51 116.25 122.47 3bsb h VAL 997 Ca 0.00 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.48 3bsb h VAL 997 Cb 0.24 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 30.30 3bsb h VAL 997 CO 0.00 0.00 0.11 0.15 0.02 0.00 0.00 177.57 177.85 3bsb h PHE 998 N -0.06 0.67 -0.78 1.57 3.04 -1.85 1.08 116.94 120.61 3bsb h PHE 998 Ca 0.28 -0.07 -0.00 0.00 3.98 0.00 0.00 57.97 62.15 3bsb h PHE 998 Cb 0.50 -0.19 -0.04 0.00 2.56 0.00 0.00 35.95 38.78 3bsb h PHE 998 CO -0.55 0.63 0.48 0.00 -2.02 0.00 0.00 178.31 176.85 3bsb h ALA 999 N 0.96 0.99 0.08 2.41 0.00 -1.60 -2.79 119.26 119.31 3bsb h ALA 999 Ca 0.13 -0.08 -0.26 0.00 0.00 0.00 0.00 54.91 54.70 3bsb h ALA 999 Cb 0.28 -0.31 0.01 0.00 0.00 0.00 0.00 17.79 17.77 3bsb h ALA 999 CO -0.00 0.44 -1.12 -0.07 0.00 0.00 0.00 179.25 178.49 3bsb h LEU 1000N 1.06 0.55 -0.62 0.00 3.38 0.33 -3.27 115.31 116.74 3bsb h LEU 1000Ca 0.28 -0.51 0.00 0.00 0.09 0.00 0.00 57.88 57.74 3bsb h LEU 1000Cb -0.06 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.51 3bsb h LEU 1000CO -0.06 1.34 0.00 -1.20 0.09 0.00 0.00 178.44 178.62 3bsb n SER 1001N -3.67 0.44 -1.02 -0.43 7.64 0.37 -1.84 113.62 115.12 3bsb n SER 1001Ca -0.09 0.63 -0.01 0.00 1.01 0.00 0.00 58.87 60.41 3bsb n SER 1001Cb 0.94 -0.72 0.20 0.00 -1.01 0.00 0.00 64.21 63.63 3bsb n SER 1001CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 3bsb n THR 1002N -2.01 2.46 -5.14 0.44 -2.24 -1.06 -2.28 114.28 104.45 3bsb n THR 1002Ca 0.02 -2.80 -0.29 0.00 -2.27 0.00 0.00 64.05 58.70 3bsb n THR 1002Cb 0.16 -0.30 -0.16 0.00 -2.10 0.00 0.00 70.33 67.93 3bsb n THR 1002CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 3bsb s HIS 1003N -3.22 2.16 0.28 4.78 5.04 -0.76 -4.89 115.29 118.68 3bsb s HIS 1003Ca 0.43 -0.56 0.02 0.00 -1.54 0.00 0.00 55.06 53.40 3bsb s HIS 1003Cb 0.39 -1.42 0.65 0.00 0.04 0.00 0.00 32.58 32.25 3bsb s HIS 1003CO -0.01 -0.15 1.73 -1.00 -2.34 0.00 0.00 174.74 172.97 3bsb h PRO 1004N 5.93 0.49 0.13 2.88 0.13 -1.93 -1.37 132.00 138.27 3bsb h PRO 1004Ca -0.35 -0.03 -0.34 0.00 -0.87 0.00 0.00 66.00 64.41 3bsb h PRO 1004Cb 1.16 -0.11 -0.01 0.00 0.13 0.00 0.00 31.00 32.17 3bsb h PRO 1004CO 0.47 0.32 -1.80 1.88 -0.23 0.00 0.00 178.00 178.64 3bsb h TYR 1005N 0.50 0.51 -0.34 1.56 0.99 -1.90 -3.38 116.97 114.91 3bsb h TYR 1005Ca 0.52 -0.37 -0.02 0.00 2.00 0.00 0.00 58.73 60.86 3bsb h TYR 1005Cb 0.89 -0.02 -0.02 0.00 1.00 0.00 0.00 36.73 38.58 3bsb h TYR 1005CO -0.11 1.71 0.12 0.78 -0.00 0.00 0.00 178.16 180.66 3bsb h GLY 1006N 0.69 0.51 1.66 3.88 0.00 -1.61 -2.11 103.07 106.09 3bsb h GLY 1006Ca -0.38 -0.24 0.00 0.00 0.00 0.00 0.00 47.33 46.71 3bsb h GLY 1006CO 0.09 0.23 0.22 0.00 0.00 0.00 0.00 176.54 177.08 3bsb h ARG 1008N 0.47 -0.37 -0.98 0.00 2.47 -1.58 -2.24 114.38 112.14 3bsb h ARG 1008Ca 0.13 0.03 0.12 0.00 -1.26 0.00 0.00 59.98 58.99 3bsb h ARG 1008Cb -0.04 0.08 -0.08 0.00 -1.65 0.00 0.00 29.97 28.28 3bsb h ARG 1008CO -0.03 -0.02 0.62 0.28 0.56 0.00 0.00 179.97 181.38 3bsb h VAL 1009N -0.85 0.91 -0.23 2.04 2.07 -1.24 -0.46 116.25 118.48 3bsb h VAL 1009Ca -0.04 -0.32 -0.08 0.00 0.82 0.00 0.00 66.70 67.08 3bsb h VAL 1009Cb 0.52 -0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.15 3bsb h VAL 1009CO 0.06 0.17 -0.20 0.40 0.02 0.00 0.00 177.57 178.03 3bsb h ILE 1010N 0.95 1.24 -0.04 4.57 2.04 -1.07 -1.22 117.51 123.97 3bsb h ILE 1010Ca 0.49 -1.12 -0.16 0.00 1.00 0.00 0.00 64.86 65.07 3bsb h ILE 1010Cb 0.52 1.28 -0.01 0.00 -0.74 0.00 0.00 36.82 37.87 3bsb h ILE 1010CO -0.25 0.35 -0.68 1.56 0.00 0.00 0.00 178.15 179.13 3bsb h GLN 1011N 0.38 0.19 -0.49 2.37 4.20 -0.57 -2.32 115.11 118.87 3bsb h GLN 1011Ca 0.06 -0.15 -0.06 0.00 0.06 0.00 0.00 58.65 58.56 3bsb h GLN 1011Cb 0.57 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.35 3bsb h GLN 1011CO 0.04 0.80 0.06 0.00 -0.67 0.00 0.00 178.83 179.06 3bsb h ARG 1012N 0.14 0.78 0.35 1.46 2.47 -0.43 -2.34 114.38 116.81 3bsb h ARG 1012Ca -0.02 -0.18 -0.02 0.00 -1.26 0.00 0.00 59.98 58.51 3bsb h ARG 1012Cb 1.22 -0.11 0.00 0.00 -1.65 0.00 0.00 29.97 29.43 3bsb h ARG 1012CO 0.10 0.75 -0.17 0.82 0.56 0.00 0.00 179.97 182.03 3bsb h ILE 1013N 0.74 0.66 -0.43 2.04 2.04 -0.99 -0.13 117.51 121.44 3bsb h ILE 1013Ca 0.16 -0.39 0.12 0.00 1.00 0.00 0.00 64.86 65.75 3bsb h ILE 1013Cb 0.37 0.86 -0.02 0.00 -0.74 0.00 0.00 36.82 37.28 3bsb h ILE 1013CO 0.01 0.08 0.40 -0.07 0.00 0.00 0.00 178.15 178.56 3bsb h LEU 1014N -0.69 0.00 0.00 1.44 3.38 -1.32 -0.59 115.31 117.53 3bsb h LEU 1014Ca -0.05 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.86 3bsb h LEU 1014Cb 0.49 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 3bsb h LEU 1014CO 0.08 0.00 -0.32 -0.33 0.09 0.00 0.00 178.44 177.96 3bsb h GLU 1015N 0.00 0.00 0.01 1.13 5.08 -1.09 -3.43 114.58 116.28 3bsb h GLU 1015Ca 0.20 0.00 -0.37 0.00 -1.00 0.00 0.00 59.36 58.19 3bsb h GLU 1015Cb 0.99 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.18 3bsb h GLU 1015CO -0.00 0.93 -2.35 0.72 -1.00 0.00 0.00 179.01 177.31 3bsb n HIS 1016N -4.58 0.15 -0.91 4.33 8.25 -0.09 -5.03 115.22 117.34 3bsb n HIS 1016Ca -0.15 0.04 -0.29 0.00 -0.26 0.00 0.00 57.72 57.06 3bsb n HIS 1016Cb 0.50 -1.02 0.18 0.00 1.12 0.00 0.00 29.99 30.77 3bsb n HIS 1016CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3bsb s LEU 1018N -6.62 3.58 0.19 0.00 1.43 -1.26 -4.84 118.68 111.16 3bsb s LEU 1018Ca 0.66 1.19 -0.15 0.00 -1.03 0.00 0.00 54.13 54.79 3bsb s LEU 1018Cb -0.21 -4.14 0.18 0.00 0.03 0.00 0.00 46.19 42.05 3bsb s LEU 1018CO 0.60 -0.61 1.64 -0.65 0.23 0.00 0.00 176.35 177.55 3bsb h PRO 1019N 0.43 -0.02 -0.45 1.29 0.11 -1.98 0.17 132.00 131.56 3bsb h PRO 1019Ca -0.46 0.00 0.06 0.00 0.11 0.00 0.00 66.00 65.71 3bsb h PRO 1019Cb 1.19 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 3bsb h PRO 1019CO 0.62 -0.01 0.30 0.38 -0.21 0.00 0.00 178.00 179.08 3bsb h ASP 1020N -0.02 0.30 0.50 -2.05 2.03 -2.01 -0.41 116.42 114.77 3bsb h ASP 1020Ca 0.26 0.00 -0.30 0.00 -0.73 0.00 0.00 57.03 56.26 3bsb h ASP 1020Cb 0.42 -0.07 0.01 0.00 -0.83 0.00 0.00 39.33 38.86 3bsb h ASP 1020CO -0.57 0.20 -1.38 1.56 -1.03 0.00 0.00 179.24 178.01 3bsb h GLN 1021N 0.35 0.33 0.00 4.15 4.20 -1.17 -3.36 115.11 119.61 3bsb h GLN 1021Ca 0.20 -0.56 -0.15 0.00 0.06 0.00 0.00 58.65 58.19 3bsb h GLN 1021Cb 0.33 0.21 -0.02 0.00 0.30 0.00 0.00 27.48 28.30 3bsb h GLN 1021CO -0.05 1.25 -0.84 1.79 -0.67 0.00 0.00 178.83 180.31 3bsb h THR 1022N 0.09 1.01 -0.53 -0.54 1.35 -0.45 -3.35 112.91 110.48 3bsb h THR 1022Ca -0.19 -2.50 0.11 0.00 -0.55 0.00 0.00 66.41 63.27 3bsb h THR 1022Cb 2.03 2.46 -0.10 0.00 -1.73 0.00 0.00 68.15 70.81 3bsb h THR 1022CO 0.21 0.58 -0.10 0.25 -0.25 0.00 0.00 175.52 176.20 3bsb h LEU 1023N 0.00 -0.44 -1.22 3.87 5.85 -1.23 0.11 115.31 122.24 3bsb h LEU 1023Ca -0.05 0.15 -0.05 0.00 0.84 0.00 0.00 57.88 58.78 3bsb h LEU 1023Cb 1.54 0.31 -0.01 0.00 0.37 0.00 0.00 40.66 42.87 3bsb h LEU 1023CO 0.08 -0.16 -0.25 1.55 -0.34 0.00 0.00 178.44 179.32 3bsb h PRO 1024N 0.02 0.00 -0.01 5.25 0.13 -1.77 -2.61 132.00 133.01 3bsb h PRO 1024Ca 0.26 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.39 3bsb h PRO 1024Cb 0.40 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.53 3bsb h PRO 1024CO -0.53 0.25 -0.01 0.82 -0.23 0.00 0.00 178.00 178.30 3bsb h ILE 1025N 0.00 1.44 -0.29 -3.56 1.08 -1.06 -3.16 117.51 111.96 3bsb h ILE 1025Ca -0.00 -1.32 -0.02 0.00 -0.39 0.00 0.00 64.86 63.13 3bsb h ILE 1025Cb 0.70 2.31 -0.02 0.00 -3.07 0.00 0.00 36.82 36.75 3bsb h ILE 1025CO 0.03 0.34 0.10 -0.07 -0.69 0.00 0.00 178.15 177.87 3bsb h LEU 1026N -0.52 0.36 -0.78 1.44 3.38 -0.83 -1.97 115.31 116.38 3bsb h LEU 1026Ca 0.00 -0.03 -0.09 0.00 0.09 0.00 0.00 57.88 57.85 3bsb h LEU 1026Cb 0.57 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 3bsb h LEU 1026CO 0.00 0.35 -0.07 -0.08 0.09 0.00 0.00 178.44 178.73 3bsb h GLU 1027N 0.41 0.85 0.00 1.13 4.57 -1.51 0.10 114.58 120.13 3bsb h GLU 1027Ca 0.10 -0.27 -0.01 0.00 -1.18 0.00 0.00 59.36 58.00 3bsb h GLU 1027Cb 0.11 -0.08 -0.00 0.00 -0.16 0.00 0.00 28.75 28.62 3bsb h GLU 1027CO -0.01 0.89 -0.07 0.93 -1.18 0.00 0.00 179.01 179.58 3bsb h GLU 1028N 0.78 0.00 0.09 1.92 5.08 -1.37 -2.36 114.58 118.72 3bsb h GLU 1028Ca 0.14 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.24 3bsb h GLU 1028Cb 0.56 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 3bsb h GLU 1028CO 0.03 0.07 -1.18 -0.07 -1.00 0.00 0.00 179.01 176.86 3bsb h LEU 1029N 0.00 0.31 -0.65 1.33 3.38 -0.61 -3.26 115.31 115.81 3bsb h LEU 1029Ca -0.00 -0.33 -0.14 0.00 0.09 0.00 0.00 57.88 57.50 3bsb h LEU 1029Cb 0.73 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.36 3bsb h LEU 1029CO 0.01 1.26 -0.65 0.45 0.09 0.00 0.00 178.44 179.60 3bsb h HIS 1030N 0.05 0.00 0.00 1.13 3.86 -0.74 -1.38 115.15 118.07 3bsb h HIS 1030Ca -0.10 0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.02 3bsb h HIS 1030Cb 1.92 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 30.37 3bsb h HIS 1030CO 0.05 0.65 -0.42 1.96 0.86 0.00 0.00 177.93 181.02 3bsb h GLN 1031N 0.00 0.00 -0.17 2.45 4.20 -1.50 -3.19 115.11 116.90 3bsb h GLN 1031Ca -0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.70 3bsb h GLN 1031Cb 1.18 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.96 3bsb h GLN 1031CO 0.08 0.42 0.00 0.72 -0.67 0.00 0.00 178.83 179.39 3bsb n HIS 1032N -3.73 0.45 -0.28 2.96 8.25 -1.16 -4.71 115.22 117.00 3bsb n HIS 1032Ca -0.01 -0.79 0.04 0.00 -0.26 0.00 0.00 57.72 56.71 3bsb n HIS 1032Cb 0.50 -0.18 0.18 0.00 1.12 0.00 0.00 29.99 31.62 3bsb n HIS 1032CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3bsb h THR 1033N 1.07 0.81 -0.83 1.59 1.03 -1.24 -0.41 112.91 114.93 3bsb h THR 1033Ca 0.00 -0.23 0.15 0.00 -0.01 0.00 0.00 66.41 66.32 3bsb h THR 1033Cb 1.05 0.09 -0.10 0.00 -1.07 0.00 0.00 68.15 68.12 3bsb h THR 1033CO 0.09 0.12 0.41 -0.08 -0.01 0.00 0.00 175.52 176.05 3bsb h GLU 1034N 0.67 0.56 0.00 0.00 4.81 -1.85 -1.98 114.58 116.79 3bsb h GLU 1034Ca 0.41 -0.03 -0.24 0.00 -0.13 0.00 0.00 59.36 59.37 3bsb h GLU 1034Cb 0.49 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 29.71 3bsb h GLU 1034CO -0.31 0.37 -1.28 1.96 -0.73 0.00 0.00 179.01 179.03 3bsb h GLN 1035N 0.58 0.00 -0.15 1.92 7.50 -1.65 -3.36 115.11 119.95 3bsb h GLN 1035Ca 0.46 0.00 -0.14 0.00 0.50 0.00 0.00 58.65 59.47 3bsb h GLN 1035Cb 0.67 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 28.19 3bsb h GLN 1035CO -0.38 0.77 -0.50 -0.07 -1.50 0.00 0.00 178.83 177.15 3bsb h LEU 1036N 0.00 0.43 -0.64 1.46 3.38 -0.71 -2.55 115.31 116.68 3bsb h LEU 1036Ca -0.12 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.63 3bsb h LEU 1036Cb 1.85 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 42.48 3bsb h LEU 1036CO 0.11 0.86 0.00 1.33 0.09 0.00 0.00 178.44 180.82 3bsb n VAL 1037N -3.97 0.82 0.79 1.22 0.24 -0.78 0.20 118.33 116.85 3bsb n VAL 1037Ca -0.02 0.20 0.09 0.00 -2.04 0.00 0.00 64.34 62.57 3bsb n VAL 1037Cb 0.56 -1.12 0.02 0.00 -1.47 0.00 0.00 33.84 31.82 3bsb n VAL 1037CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3bsb n GLN 1038N -2.21 1.58 -3.27 7.34 6.02 -1.04 -1.45 117.38 124.35 3bsb n GLN 1038Ca 0.02 -1.09 -0.39 0.00 -0.01 0.00 0.00 57.00 55.54 3bsb n GLN 1038Cb 0.24 -1.34 -0.06 0.00 1.02 0.00 0.00 30.24 30.10 3bsb n GLN 1038CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 3bsb s ASP 1039N -1.90 7.03 0.58 1.08 2.15 -0.89 -4.74 116.67 119.97 3bsb s ASP 1039Ca 0.17 1.22 0.28 0.00 0.43 0.00 0.00 52.55 54.65 3bsb s ASP 1039Cb 0.15 -2.36 1.52 0.00 -0.30 0.00 0.00 42.92 41.94 3bsb s ASP 1039CO 0.38 0.23 1.97 0.06 -0.17 0.00 0.00 175.17 177.65 3bsb h GLN 1040N 4.84 0.00 0.00 4.34 3.07 -1.93 -1.73 115.11 123.70 3bsb h GLN 1040Ca -0.48 0.00 -0.09 0.00 0.09 0.00 0.00 58.65 58.17 3bsb h GLN 1040Cb 1.21 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.75 3bsb h GLN 1040CO 0.65 0.00 -1.32 0.66 0.09 0.00 0.00 178.83 178.91 3bsb n TYR 1041N -3.84 0.00 -0.35 0.06 4.02 -1.26 -4.68 117.16 111.11 3bsb n TYR 1041Ca 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.96 3bsb n TYR 1041Cb 0.55 -0.22 0.16 0.00 -0.02 0.00 0.00 39.34 39.81 3bsb n TYR 1041CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 3bsb h GLY 1042N 0.68 1.41 0.90 2.72 0.00 -1.30 -1.24 103.07 106.25 3bsb h GLY 1042Ca -0.13 -0.49 0.14 0.00 0.00 0.00 0.00 47.33 46.85 3bsb h GLY 1042CO -0.01 0.42 0.41 3.45 0.00 0.00 0.00 176.54 180.82 3bsb h ASN 1043N 1.24 0.00 0.48 0.19 7.08 0.69 0.65 115.58 125.91 3bsb h ASN 1043Ca 0.38 0.00 -0.17 0.00 -3.08 0.00 0.00 56.30 53.44 3bsb h ASN 1043Cb -0.01 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 36.22 3bsb h ASN 1043CO -0.12 0.00 -0.72 1.88 -2.08 0.00 0.00 177.43 176.39 3bsb h TYR 1044N 0.00 0.27 -0.33 4.14 -1.99 -1.49 -0.83 116.97 116.74 3bsb h TYR 1044Ca 0.23 -0.13 -0.14 0.00 2.00 0.00 0.00 58.73 60.69 3bsb h TYR 1044Cb 1.05 -0.04 -0.00 0.00 2.00 0.00 0.00 36.73 39.74 3bsb h TYR 1044CO 0.00 0.85 -0.35 0.28 -0.00 0.00 0.00 178.16 178.94 3bsb h VAL 1045N 0.13 1.29 -0.20 -2.88 2.07 0.29 -1.74 116.25 115.21 3bsb h VAL 1045Ca -0.02 -1.53 -0.04 0.00 0.82 0.00 0.00 66.70 65.94 3bsb h VAL 1045Cb 1.28 1.50 -0.01 0.00 -1.52 0.00 0.00 31.29 32.54 3bsb h VAL 1045CO 0.11 0.50 -0.01 0.40 0.02 0.00 0.00 177.57 178.58 3bsb h ILE 1046N 0.61 1.26 -0.79 4.57 1.08 -1.18 -2.75 117.51 120.32 3bsb h ILE 1046Ca 0.05 -0.92 0.03 0.00 -0.39 0.00 0.00 64.86 63.63 3bsb h ILE 1046Cb 0.94 1.47 -0.04 0.00 -3.07 0.00 0.00 36.82 36.11 3bsb h ILE 1046CO 0.09 0.28 0.52 1.56 -0.69 0.00 0.00 178.15 179.91 3bsb h GLN 1047N 0.12 0.96 0.04 2.37 4.20 -1.14 -2.27 115.11 119.39 3bsb h GLN 1047Ca 0.06 -0.06 0.02 0.00 0.06 0.00 0.00 58.65 58.73 3bsb h GLN 1047Cb 0.43 -0.22 -0.03 0.00 0.30 0.00 0.00 27.48 27.96 3bsb h GLN 1047CO 0.01 0.64 -0.18 1.25 -0.67 0.00 0.00 178.83 179.88 3bsb h HIS 1048N 0.99 -0.47 -0.48 2.96 2.76 -1.04 -1.11 115.15 118.76 3bsb h HIS 1048Ca 0.31 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.49 3bsb h HIS 1048Cb 0.01 0.20 -0.02 0.00 1.55 0.00 0.00 27.41 29.15 3bsb h HIS 1048CO -0.00 -0.26 0.31 0.28 -1.30 0.00 0.00 177.93 176.96 3bsb h VAL 1049N -0.31 1.13 0.00 5.26 2.07 -1.19 0.35 116.25 123.56 3bsb h VAL 1049Ca 0.04 -0.24 -0.04 0.00 0.82 0.00 0.00 66.70 67.28 3bsb h VAL 1049Cb 0.36 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 3bsb h VAL 1049CO -0.14 0.13 -0.18 -0.07 0.02 0.00 0.00 177.57 177.32 3bsb h LEU 1050N 0.66 0.00 0.04 2.57 3.38 -0.79 -0.76 115.31 120.40 3bsb h LEU 1050Ca 0.18 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.78 3bsb h LEU 1050Cb -0.06 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.63 3bsb h LEU 1050CO -0.04 0.18 -2.22 -0.62 0.09 0.00 0.00 178.44 175.83 3bsb n GLU 1051N -3.48 0.69 -0.00 1.13 1.02 -0.38 -4.74 120.64 114.88 3bsb n GLU 1051Ca -0.01 0.18 0.02 0.00 -0.02 0.00 0.00 57.16 57.33 3bsb n GLU 1051Cb 0.35 -1.61 -0.02 0.00 -0.02 0.00 0.00 31.44 30.13 3bsb n GLU 1051CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 3bsb n HIS 1052N -3.22 0.00 -1.75 -0.32 8.25 -0.03 -5.08 115.22 113.08 3bsb n HIS 1052Ca -0.36 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 56.80 3bsb n HIS 1052Cb 1.04 -0.05 0.17 0.00 1.12 0.00 0.00 29.99 32.28 3bsb n HIS 1052CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 3bsb s GLY 1053N -1.94 1.70 0.67 -1.41 0.00 -0.29 -5.04 107.32 101.01 3bsb s GLY 1053Ca -0.00 -1.01 -0.16 0.00 0.00 0.00 0.00 44.72 43.55 3bsb s GLY 1053CO 0.14 -0.28 1.16 0.50 0.00 0.00 0.00 173.10 174.63 3bsb s ARG 1054N -5.70 2.60 0.55 2.90 0.52 -1.26 -4.89 118.95 113.66 3bsb s ARG 1054Ca 0.71 1.62 0.21 0.00 -0.52 0.00 0.00 55.73 57.75 3bsb s ARG 1054Cb -0.07 -1.90 1.47 0.00 0.52 0.00 0.00 34.95 34.96 3bsb s ARG 1054CO 0.53 -1.45 2.19 -1.35 0.02 0.00 0.00 175.30 175.24 3bsb h PRO 1055N 0.12 0.00 -0.62 3.54 0.11 -1.96 -2.31 132.00 130.88 3bsb h PRO 1055Ca -0.48 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.54 3bsb h PRO 1055Cb 1.27 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.36 3bsb h PRO 1055CO 0.53 0.00 0.02 1.49 -0.21 0.00 0.00 178.00 179.83 3bsb h GLU 1056N 0.00 1.07 -0.15 1.05 4.81 -2.01 -2.38 114.58 116.97 3bsb h GLU 1056Ca -0.00 -0.33 -0.06 0.00 -0.13 0.00 0.00 59.36 58.84 3bsb h GLU 1056Cb 0.00 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.27 3bsb h GLU 1056CO 0.00 1.03 -0.16 -0.44 -0.73 0.00 0.00 179.01 178.71 3bsb h ASP 1057N 0.98 0.39 -0.98 1.04 3.32 -1.79 -3.08 116.42 116.31 3bsb h ASP 1057Ca 0.18 -0.49 0.16 0.00 0.02 0.00 0.00 57.03 56.90 3bsb h ASP 1057Cb 0.54 -0.11 -0.09 0.00 0.22 0.00 0.00 39.33 39.88 3bsb h ASP 1057CO 0.03 0.81 0.61 0.11 -1.72 0.00 0.00 179.24 179.08 3bsb h LYS 1058N -0.01 0.76 -0.09 3.56 1.57 -1.45 -1.97 116.57 118.94 3bsb h LYS 1058Ca 0.02 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.75 3bsb h LYS 1058Cb 0.70 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.83 3bsb h LYS 1058CO 0.04 0.50 0.04 0.77 -0.57 0.00 0.00 179.45 180.23 3bsb h SER 1059N 0.78 0.12 -0.54 0.86 0.02 -1.34 0.50 113.55 113.96 3bsb h SER 1059Ca 0.52 -0.14 0.11 0.00 -0.84 0.00 0.00 61.79 61.44 3bsb h SER 1059Cb 0.78 -0.03 -0.09 0.00 0.14 0.00 0.00 62.40 63.19 3bsb h SER 1059CO -0.30 0.23 -0.05 0.11 -1.14 0.00 0.00 176.83 175.68 3bsb h LYS 1060N 0.01 0.07 -0.15 3.45 1.79 -1.29 0.15 116.57 120.61 3bsb h LYS 1060Ca 0.03 -0.00 0.01 0.00 -2.18 0.00 0.00 60.65 58.51 3bsb h LYS 1060Cb 0.14 -0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 30.76 3bsb h LYS 1060CO -0.00 0.04 0.05 0.82 -1.08 0.00 0.00 179.45 179.28 3bsb h ILE 1061N 0.07 0.96 0.00 1.86 2.04 -1.03 -2.22 117.51 119.19 3bsb h ILE 1061Ca 0.27 -0.04 -0.07 0.00 1.00 0.00 0.00 64.86 66.02 3bsb h ILE 1061Cb 0.42 0.83 -0.01 0.00 -0.74 0.00 0.00 36.82 37.32 3bsb h ILE 1061CO -0.49 0.02 -0.33 1.62 0.00 0.00 0.00 178.15 178.97 3bsb h VAL 1062N 0.12 1.19 0.00 1.67 3.04 -0.26 -1.80 116.25 120.21 3bsb h VAL 1062Ca 0.06 -1.16 -0.06 0.00 -1.01 0.00 0.00 66.70 64.54 3bsb h VAL 1062Cb 0.04 1.63 -0.01 0.00 -2.01 0.00 0.00 31.29 30.94 3bsb h VAL 1062CO -0.07 0.33 -0.30 0.00 -1.01 0.00 0.00 177.57 176.52 3bsb h ALA 1063N 1.67 1.17 0.08 3.17 0.00 -0.21 0.26 119.26 125.40 3bsb h ALA 1063Ca -0.00 -0.27 -0.26 0.00 0.00 0.00 0.00 54.91 54.38 3bsb h ALA 1063Cb 0.60 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.36 3bsb h ALA 1063CO 0.04 0.37 -1.12 0.93 0.00 0.00 0.00 179.25 179.47 3bsb h GLU 1064N 0.00 0.41 0.06 0.00 4.39 -0.76 -3.27 114.58 115.41 3bsb h GLU 1064Ca -0.00 -0.54 -0.25 0.00 0.34 0.00 0.00 59.36 58.91 3bsb h GLU 1064Cb 0.68 0.18 0.00 0.00 -0.10 0.00 0.00 28.75 29.51 3bsb h GLU 1064CO 0.04 1.21 -1.07 0.82 -1.16 0.00 0.00 179.01 178.85 3bsb h ILE 1065N 0.18 1.45 -1.75 3.13 5.03 -1.21 -3.43 117.51 120.91 3bsb h ILE 1065Ca -0.13 -2.74 -0.68 0.00 -0.12 0.00 0.00 64.86 61.20 3bsb h ILE 1065Cb 1.80 2.66 0.03 0.00 -3.03 0.00 0.00 36.82 38.28 3bsb h ILE 1065CO 0.20 0.81 0.80 -1.14 -0.68 0.00 0.00 178.15 178.14 3bsb n ARG 1066N -3.64 1.45 0.00 2.37 0.00 0.89 0.78 116.66 118.50 3bsb n ARG 1066Ca -0.07 0.53 0.00 0.00 -0.00 0.00 0.00 57.85 58.31 3bsb n ARG 1066Cb 0.92 -2.24 0.00 0.00 0.00 0.00 0.00 32.46 31.14 3bsb n ARG 1066CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3bsb n GLY 1067N 3.69 1.02 0.22 5.14 0.00 -1.26 -4.84 105.19 109.17 3bsb n GLY 1067Ca 0.22 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.30 3bsb n GLY 1067CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3bsb n ASN 1068N 0.00 1.46 -0.15 1.61 3.02 0.23 -4.82 115.26 116.62 3bsb n ASN 1068Ca 0.00 -2.64 0.01 0.00 -0.03 0.00 0.00 54.58 51.93 3bsb n ASN 1068Cb 0.00 -0.33 0.29 0.00 -0.61 0.00 0.00 39.78 39.14 3bsb n ASN 1068CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 3bsb h VAL 1069N 2.55 1.17 0.29 2.41 2.07 -1.83 -2.17 116.25 120.73 3bsb h VAL 1069Ca 0.00 -0.34 -0.01 0.00 0.82 0.00 0.00 66.70 67.17 3bsb h VAL 1069Cb 1.13 0.25 0.00 0.00 -1.52 0.00 0.00 31.29 31.16 3bsb h VAL 1069CO 0.00 0.17 -0.14 0.25 0.02 0.00 0.00 177.57 177.87 3bsb h LEU 1070N 0.87 -0.33 0.26 2.57 5.85 -1.91 -2.53 115.31 120.09 3bsb h LEU 1070Ca 0.23 -0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 3bsb h LEU 1070Cb -0.07 0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.05 3bsb h LEU 1070CO -0.05 0.07 -0.12 -0.37 -0.34 0.00 0.00 178.44 177.62 3bsb h VAL 1071N -0.78 0.79 -0.04 1.05 -1.51 -1.92 -3.12 116.25 110.71 3bsb h VAL 1071Ca -0.04 -0.40 0.01 0.00 -1.23 0.00 0.00 66.70 65.04 3bsb h VAL 1071Cb 0.51 1.02 -0.00 0.00 -2.13 0.00 0.00 31.29 30.68 3bsb h VAL 1071CO 0.07 0.09 0.05 -0.07 -1.23 0.00 0.00 177.57 176.47 3bsb h LEU 1072N -0.56 0.00 -0.94 4.19 3.38 -1.53 -1.02 115.31 118.83 3bsb h LEU 1072Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3bsb h LEU 1072Cb 0.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.16 3bsb h LEU 1072CO 0.06 0.00 0.00 -1.28 0.09 0.00 0.00 178.44 177.31 3bsb h SER 1073N 0.00 0.00 0.37 -0.43 0.87 -1.39 -2.12 113.55 110.85 3bsb h SER 1073Ca 0.02 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.58 3bsb h SER 1073Cb 0.12 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.08 3bsb h SER 1073CO -0.00 0.00 -0.94 0.00 -0.53 0.00 0.00 176.83 175.36 3bsb n GLN 1074N -2.90 0.19 -2.58 2.24 6.02 -0.40 -1.70 117.38 118.26 3bsb n GLN 1074Ca 0.02 -0.01 -0.42 0.00 -0.01 0.00 0.00 57.00 56.58 3bsb n GLN 1074Cb 0.35 -1.56 -0.03 0.00 1.02 0.00 0.00 30.24 30.02 3bsb n GLN 1074CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 3bsb s HIS 1075N -3.13 3.53 0.24 1.08 2.46 -0.98 -4.80 115.29 113.69 3bsb s HIS 1075Ca 0.06 1.51 -0.05 0.00 0.47 0.00 0.00 55.06 57.04 3bsb s HIS 1075Cb 0.15 -3.26 0.45 0.00 -0.13 0.00 0.00 32.58 29.79 3bsb s HIS 1075CO 0.80 -0.60 1.70 -0.22 -2.47 0.00 0.00 174.74 173.94 3bsb h LYS 1076N 6.86 0.29 0.00 2.88 3.64 -1.90 -0.38 116.57 127.97 3bsb h LYS 1076Ca -0.40 -0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 58.86 3bsb h LYS 1076Cb 1.21 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.95 3bsb h LYS 1076CO 0.79 0.19 -0.73 0.74 -2.27 0.00 0.00 179.45 178.18 3bsb h PHE 1077N 0.30 0.00 -0.30 1.91 -1.00 -1.87 -3.39 116.94 112.59 3bsb h PHE 1077Ca 0.41 0.00 0.09 0.00 2.81 0.00 0.00 57.97 61.27 3bsb h PHE 1077Cb 0.68 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.22 3bsb h PHE 1077CO -0.24 0.73 0.24 0.00 -1.61 0.00 0.00 178.31 177.43 3bsb h ALA 1078N -0.69 2.15 -0.30 2.45 0.00 -1.28 -1.96 119.26 119.63 3bsb h ALA 1078Ca -0.15 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 54.84 3bsb h ALA 1078Cb 0.84 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 3bsb h ALA 1078CO -0.09 -0.40 0.23 0.66 0.00 0.00 0.00 179.25 179.65 3bsb h SER 1079N 0.00 0.00 -0.24 0.00 4.64 -0.40 -0.29 113.55 117.26 3bsb h SER 1079Ca 0.14 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.29 3bsb h SER 1079Cb 0.63 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.72 3bsb h SER 1079CO -0.00 0.00 -0.48 0.78 -0.87 0.00 0.00 176.83 176.26 3bsb h ASN 1080N 0.00 0.88 -0.09 4.97 4.21 -1.59 -2.34 115.58 121.62 3bsb h ASN 1080Ca 0.14 -0.44 -0.01 0.00 1.21 0.00 0.00 56.30 57.20 3bsb h ASN 1080Cb 0.60 -0.25 -0.00 0.00 -1.12 0.00 0.00 38.32 37.55 3bsb h ASN 1080CO -0.00 1.21 0.03 0.58 -1.29 0.00 0.00 177.43 177.96 3bsb h VAL 1081N 0.64 1.18 0.00 2.81 2.07 -1.21 0.09 116.25 121.83 3bsb h VAL 1081Ca 0.03 -0.55 -0.01 0.00 0.82 0.00 0.00 66.70 66.99 3bsb h VAL 1081Cb 1.06 1.38 -0.00 0.00 -1.52 0.00 0.00 31.29 32.21 3bsb h VAL 1081CO 0.11 0.16 -0.05 1.62 0.02 0.00 0.00 177.57 179.42 3bsb h VAL 1082N -0.05 0.32 0.04 2.57 3.04 -1.41 -0.04 116.25 120.72 3bsb h VAL 1082Ca 0.03 -0.29 -0.22 0.00 -1.01 0.00 0.00 66.70 65.20 3bsb h VAL 1082Cb 0.23 1.21 -0.01 0.00 -2.01 0.00 0.00 31.29 30.71 3bsb h VAL 1082CO -0.00 0.05 -1.01 -0.08 -1.01 0.00 0.00 177.57 175.51 3bsb h GLU 1083N 0.00 0.15 0.00 4.17 4.81 -0.80 -2.89 114.58 120.01 3bsb h GLU 1083Ca -0.00 -0.22 -0.18 0.00 -0.13 0.00 0.00 59.36 58.84 3bsb h GLU 1083Cb 0.21 0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.64 3bsb h GLU 1083CO 0.01 1.04 -0.83 0.87 -0.73 0.00 0.00 179.01 179.36 3bsb h LYS 1084N 0.06 0.00 0.51 1.92 6.56 0.75 -3.04 116.57 123.33 3bsb h LYS 1084Ca -0.06 0.00 -0.02 0.00 -1.06 0.00 0.00 60.65 59.51 3bsb h LYS 1084Cb 1.71 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 33.38 3bsb h LYS 1084CO 0.15 0.83 -0.24 0.00 -2.06 0.00 0.00 179.45 178.13 3bsb h VAL 1086N -0.98 0.12 0.00 0.00 2.07 -1.57 -0.96 116.25 114.93 3bsb h VAL 1086Ca -0.07 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.45 3bsb h VAL 1086Cb 0.61 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 30.65 3bsb h VAL 1086CO 0.11 0.00 -1.38 0.41 0.02 0.00 0.00 177.57 176.74 3bsb n THR 1087N -3.32 0.00 -0.71 2.57 -1.04 -0.99 -4.73 114.28 106.06 3bsb n THR 1087Ca 0.14 -0.23 0.03 0.00 -2.04 0.00 0.00 64.05 61.96 3bsb n THR 1087Cb 1.10 0.33 0.05 0.00 -1.82 0.00 0.00 70.33 69.98 3bsb n THR 1087CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 3bsb n HIS 1088N -1.80 0.00 -1.61 -1.42 8.25 0.17 -5.05 115.22 113.76 3bsb n HIS 1088Ca -0.02 -0.53 0.00 0.00 -0.26 0.00 0.00 57.72 56.91 3bsb n HIS 1088Cb 0.25 -0.08 0.00 0.00 1.12 0.00 0.00 29.99 31.28 3bsb n HIS 1088CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3bsb n ALA 1089N -0.68 0.00 -1.94 -1.41 0.00 -0.47 -4.92 120.51 111.10 3bsb n ALA 1089Ca 0.05 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.20 3bsb n ALA 1089Cb 0.46 0.00 0.17 0.00 0.00 0.00 0.00 19.45 20.09 3bsb n ALA 1089CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3bsb s SER 1090N -1.00 3.29 0.35 0.00 1.04 -1.26 -4.82 113.70 111.29 3bsb s SER 1090Ca 0.00 0.24 0.13 0.00 0.48 0.00 0.00 55.95 56.81 3bsb s SER 1090Cb 0.00 -0.34 0.65 0.00 0.10 0.00 0.00 66.02 66.43 3bsb s SER 1090CO 0.00 -2.62 1.77 0.03 0.98 0.00 0.00 173.24 173.40 3bsb h ARG 1091N -1.52 0.00 0.01 4.02 3.08 -1.99 -1.68 114.38 116.30 3bsb h ARG 1091Ca -0.44 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 59.61 3bsb h ARG 1091Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.29 3bsb h ARG 1091CO 0.40 0.43 -0.00 1.15 -1.07 0.00 0.00 179.97 180.87 3bsb h THR 1092N 0.00 1.52 -0.92 2.04 2.02 -1.98 -3.06 112.91 112.53 3bsb h THR 1092Ca -0.00 -2.04 0.04 0.00 0.77 0.00 0.00 66.41 65.18 3bsb h THR 1092Cb 0.79 2.83 -0.06 0.00 -1.74 0.00 0.00 68.15 69.97 3bsb h THR 1092CO 0.06 0.50 0.59 -0.33 0.37 0.00 0.00 175.52 176.71 3bsb h GLU 1093N -0.95 1.11 -0.28 6.66 5.08 -1.93 0.27 114.58 124.54 3bsb h GLU 1093Ca -0.00 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.25 3bsb h GLU 1093Cb 0.83 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.81 3bsb h GLU 1093CO 0.00 0.73 -0.02 -0.09 -1.00 0.00 0.00 179.01 178.63 3bsb h ARG 1094N 1.14 0.42 0.00 2.33 2.43 -1.43 -2.42 114.38 116.86 3bsb h ARG 1094Ca 0.37 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.46 3bsb h ARG 1094Cb 0.04 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.52 3bsb h ARG 1094CO -0.13 0.47 -0.61 0.00 -1.51 0.00 0.00 179.97 178.19 3bsb h ALA 1095N 1.58 0.68 0.00 2.80 0.00 -0.98 -3.06 119.26 120.28 3bsb h ALA 1095Ca 0.09 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 3bsb h ALA 1095Cb 0.30 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3bsb h ALA 1095CO 0.01 0.00 -0.63 0.28 0.00 0.00 0.00 179.25 178.91 3bsb h VAL 1096N 0.00 0.24 0.12 0.00 2.07 -0.24 -3.17 116.25 115.27 3bsb h VAL 1096Ca 0.00 -1.39 -0.32 0.00 0.82 0.00 0.00 66.70 65.81 3bsb h VAL 1096Cb 0.95 1.93 -0.01 0.00 -1.52 0.00 0.00 31.29 32.64 3bsb h VAL 1096CO 0.00 0.14 -1.67 -0.07 0.02 0.00 0.00 177.57 175.99 3bsb h LEU 1097N 0.00 0.39 -0.53 2.57 3.38 -1.52 -3.13 115.31 116.47 3bsb h LEU 1097Ca -0.03 -0.62 0.00 0.00 0.09 0.00 0.00 57.88 57.32 3bsb h LEU 1097Cb 1.16 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.78 3bsb h LEU 1097CO 0.02 1.53 0.00 0.40 0.09 0.00 0.00 178.44 180.48 3bsb h ILE 1098N 0.07 0.00 0.00 1.22 2.04 -1.65 -3.13 117.51 116.06 3bsb h ILE 1098Ca -0.30 -0.47 -0.28 0.00 1.00 0.00 0.00 64.86 64.81 3bsb h ILE 1098Cb 2.03 1.38 -0.05 0.00 -0.74 0.00 0.00 36.82 39.44 3bsb h ILE 1098CO 0.14 0.00 -1.68 -0.67 0.00 0.00 0.00 178.15 175.95 3bsb n ASP 1099N -2.54 0.88 -0.12 1.72 2.03 -1.20 -4.02 116.55 113.31 3bsb n ASP 1099Ca 0.03 0.42 0.03 0.00 0.52 0.00 0.00 54.79 55.79 3bsb n ASP 1099Cb 0.35 -0.05 0.34 0.00 -0.72 0.00 0.00 41.12 41.04 3bsb n ASP 1099CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 3bsb h GLU 1100N 0.00 0.75 -0.24 -0.67 4.81 -1.48 -1.29 114.58 116.46 3bsb h GLU 1100Ca -0.27 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.91 3bsb h GLU 1100Cb 1.97 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 31.18 3bsb h GLU 1100CO 0.08 0.50 0.00 1.33 -0.73 0.00 0.00 179.01 180.18 3bsb n VAL 1101N -4.45 0.32 0.35 0.32 0.24 -1.25 -1.35 118.33 112.51 3bsb n VAL 1101Ca 0.07 -0.33 0.05 0.00 -2.04 0.00 0.00 64.34 62.09 3bsb n VAL 1101Cb 0.08 0.17 -0.07 0.00 -1.47 0.00 0.00 33.84 32.55 3bsb n VAL 1101CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3bsb n THR 1103N -1.46 0.30 -1.01 0.00 -1.04 -1.11 -5.02 114.28 104.93 3bsb n THR 1103Ca 0.01 -0.16 -0.30 0.00 -2.04 0.00 0.00 64.05 61.55 3bsb n THR 1103Cb 0.21 -0.82 0.15 0.00 -1.82 0.00 0.00 70.33 68.05 3bsb n THR 1103CO 0.00 0.00 0.00 -0.32 -0.64 0.00 0.00 175.07 174.11 3bsb s MET 1104N -2.11 1.22 0.07 -2.82 0.00 -0.46 -4.95 119.30 110.25 3bsb s MET 1104Ca -0.04 1.11 -0.04 0.00 0.00 0.00 0.00 55.69 56.71 3bsb s MET 1104Cb 0.02 -1.78 -0.02 0.00 0.00 0.00 0.00 34.83 33.04 3bsb s MET 1104CO 0.16 -2.35 0.06 -0.80 0.00 0.00 0.00 175.02 172.09 3bsb s ASN 1105N -3.12 0.34 -0.52 1.11 -0.87 -1.26 -2.56 114.94 108.06 3bsb s ASN 1105Ca 0.64 -0.86 0.02 0.00 -1.57 0.00 0.00 52.86 51.10 3bsb s ASN 1105Cb -0.20 0.26 0.44 0.00 -0.02 0.00 0.00 41.25 41.73 3bsb s ASN 1105CO 0.58 -0.65 1.64 -0.67 -2.57 0.00 0.00 177.10 175.42 3bsb n ASP 1106N 0.04 6.39 0.00 -1.22 -0.08 0.15 -4.71 116.55 117.12 3bsb n ASP 1106Ca -0.14 -3.77 0.00 0.00 -1.51 0.00 0.00 54.79 49.36 3bsb n ASP 1106Cb 0.62 -0.70 0.00 0.00 2.34 0.00 0.00 41.12 43.37 3bsb n ASP 1106CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3bsb n GLY 1107N -0.77 1.32 0.31 0.27 0.00 -1.26 -3.89 105.19 101.18 3bsb n GLY 1107Ca 0.53 0.20 0.09 0.00 0.00 0.00 0.00 46.02 46.83 3bsb n GLY 1107CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3bsb h PRO 1108N 0.00 0.05 -5.11 1.61 0.11 -2.05 -3.43 132.00 123.18 3bsb h PRO 1108Ca 0.00 -0.00 -0.37 0.00 0.11 0.00 0.00 66.00 65.74 3bsb h PRO 1108Cb 0.00 -0.01 -0.14 0.00 0.11 0.00 0.00 31.00 30.95 3bsb h PRO 1108CO 0.00 0.04 -0.68 -1.01 -0.21 0.00 0.00 178.00 176.14 3bsb s HIS 1109N -6.09 1.48 0.87 0.65 3.76 -1.25 -5.14 115.29 109.57 3bsb s HIS 1109Ca -0.13 -0.84 -0.11 0.00 -0.15 0.00 0.00 55.06 53.82 3bsb s HIS 1109Cb 0.26 -0.81 0.12 0.00 1.11 0.00 0.00 32.58 33.25 3bsb s HIS 1109CO 0.77 0.03 1.16 -1.54 -0.85 0.00 0.00 174.74 174.30 3bsb s SER 1110N -3.26 3.26 0.20 1.40 1.04 -1.26 0.31 113.70 115.38 3bsb s SER 1110Ca 0.24 2.20 -0.11 0.00 0.48 0.00 0.00 55.95 58.77 3bsb s SER 1110Cb 0.04 -2.57 0.14 0.00 0.10 0.00 0.00 66.02 63.73 3bsb s SER 1110CO 0.06 -2.88 1.84 0.00 0.98 0.00 0.00 173.24 173.24 3bsb h ALA 1111N -1.53 0.92 -0.60 5.32 0.00 -1.77 -2.33 119.26 119.27 3bsb h ALA 1111Ca -0.44 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 54.43 3bsb h ALA 1111Cb 1.27 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 3bsb h ALA 1111CO 0.44 0.39 0.40 1.25 0.00 0.00 0.00 179.25 181.72 3bsb h LEU 1112N 0.98 0.57 0.27 0.00 5.85 -1.83 0.14 115.31 121.30 3bsb h LEU 1112Ca 0.26 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.96 3bsb h LEU 1112Cb -0.03 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 40.87 3bsb h LEU 1112CO -0.05 0.39 -0.13 0.22 -0.34 0.00 0.00 178.44 178.53 3bsb h TYR 1113N 0.66 -0.34 -0.91 1.25 3.20 -1.78 -2.33 116.97 116.72 3bsb h TYR 1113Ca 0.24 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.14 3bsb h TYR 1113Cb 0.14 0.11 -0.05 0.00 1.54 0.00 0.00 36.73 38.48 3bsb h TYR 1113CO -0.00 -0.06 0.60 1.15 -1.64 0.00 0.00 178.16 178.21 3bsb h THR 1114N -0.60 1.16 -0.07 1.81 2.02 -1.16 -2.69 112.91 113.38 3bsb h THR 1114Ca -0.04 -0.39 -0.14 0.00 0.77 0.00 0.00 66.41 66.61 3bsb h THR 1114Cb 0.43 -0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 66.74 3bsb h THR 1114CO 0.06 0.21 -0.59 0.24 0.37 0.00 0.00 175.52 175.82 3bsb h MET 1115N 1.15 0.21 0.00 6.66 2.86 -0.92 -3.18 114.93 121.71 3bsb h MET 1115Ca 0.36 -0.14 -0.03 0.00 -2.06 0.00 0.00 59.70 57.83 3bsb h MET 1115Cb 0.01 0.02 -0.00 0.00 0.06 0.00 0.00 31.60 31.69 3bsb h MET 1115CO -0.11 0.74 -0.17 0.52 1.06 0.00 0.00 176.91 178.95 3bsb h MET 1116N 0.16 0.00 -0.42 1.72 2.07 -1.08 -1.63 114.93 115.75 3bsb h MET 1116Ca -0.00 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.63 3bsb h MET 1116Cb 1.08 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.81 3bsb h MET 1116CO 0.09 0.17 0.00 0.36 1.07 0.00 0.00 176.91 178.59 3bsb n LYS 1117N -3.23 2.43 -3.83 1.72 2.85 -1.14 -4.64 118.16 112.33 3bsb n LYS 1117Ca 0.01 -2.23 -0.37 0.00 -1.05 0.00 0.00 58.31 54.68 3bsb n LYS 1117Cb 0.47 -1.46 -0.06 0.00 -0.65 0.00 0.00 35.03 33.33 3bsb n LYS 1117CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 3bsb s ASP 1118N -1.26 6.42 0.64 -5.58 2.15 -1.20 -4.94 116.67 112.90 3bsb s ASP 1118Ca 0.36 0.51 0.42 0.00 0.43 0.00 0.00 52.55 54.26 3bsb s ASP 1118Cb 0.20 -2.09 2.26 0.00 -0.30 0.00 0.00 42.92 43.00 3bsb s ASP 1118CO 0.28 0.39 2.27 0.06 -0.17 0.00 0.00 175.17 178.00 3bsb h GLN 1119N 5.06 0.00 0.00 4.34 3.07 -1.92 -2.84 115.11 122.83 3bsb h GLN 1119Ca -0.54 0.00 -0.16 0.00 0.09 0.00 0.00 58.65 58.04 3bsb h GLN 1119Cb 1.22 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 28.76 3bsb h GLN 1119CO 0.59 0.00 -1.58 0.66 0.09 0.00 0.00 178.83 178.60 3bsb n TYR 1120N -2.99 0.00 0.28 0.06 0.53 -1.26 -4.68 117.16 109.09 3bsb n TYR 1120Ca -0.03 0.00 0.13 0.00 -1.02 0.00 0.00 57.90 56.99 3bsb n TYR 1120Cb 0.10 -0.38 0.80 0.00 -1.03 0.00 0.00 39.34 38.83 3bsb n TYR 1120CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 3bsb h ALA 1121N -0.16 1.40 0.00 -0.72 0.00 -1.37 -2.35 119.26 116.07 3bsb h ALA 1121Ca -0.24 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 3bsb h ALA 1121Cb 1.30 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.08 3bsb h ALA 1121CO -0.09 0.09 -0.03 -2.95 0.00 0.00 0.00 179.25 176.26 3bsb h ASN 1122N 0.00 0.00 -0.14 0.00 7.08 -1.03 -0.92 115.58 120.56 3bsb h ASN 1122Ca -0.00 0.00 -0.16 0.00 -3.08 0.00 0.00 56.30 53.06 3bsb h ASN 1122Cb 0.19 0.00 0.01 0.00 -2.08 0.00 0.00 38.32 36.43 3bsb h ASN 1122CO 0.01 0.03 -0.55 1.88 -2.08 0.00 0.00 177.43 176.72 3bsb h TYR 1123N 0.00 0.83 -0.12 4.14 -1.99 -1.72 -0.51 116.97 117.60 3bsb h TYR 1123Ca -0.00 -0.35 0.04 0.00 2.00 0.00 0.00 58.73 60.42 3bsb h TYR 1123Cb 0.06 -0.14 -0.04 0.00 2.00 0.00 0.00 36.73 38.62 3bsb h TYR 1123CO 0.00 1.14 -0.12 0.28 -0.00 0.00 0.00 178.16 179.46 3bsb h VAL 1124N 0.29 0.67 0.07 -2.88 2.07 -1.46 0.93 116.25 115.94 3bsb h VAL 1124Ca -0.03 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.52 3bsb h VAL 1124Cb 1.18 0.67 -0.04 0.00 -1.52 0.00 0.00 31.29 31.58 3bsb h VAL 1124CO 0.12 0.00 -0.28 0.58 0.02 0.00 0.00 177.57 178.00 3bsb h VAL 1125N -0.14 0.38 -0.59 2.57 2.07 -1.07 0.27 116.25 119.74 3bsb h VAL 1125Ca 0.09 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.73 3bsb h VAL 1125Cb 0.26 0.38 -0.10 0.00 -1.52 0.00 0.00 31.29 30.31 3bsb h VAL 1125CO -0.21 0.00 0.02 1.56 0.02 0.00 0.00 177.57 178.96 3bsb h GLN 1126N -0.47 0.13 -0.81 1.57 4.20 -0.56 -1.01 115.11 118.16 3bsb h GLN 1126Ca 0.04 -0.01 0.01 0.00 0.06 0.00 0.00 58.65 58.75 3bsb h GLN 1126Cb 0.52 -0.03 -0.04 0.00 0.30 0.00 0.00 27.48 28.23 3bsb h GLN 1126CO -0.20 0.08 0.53 -0.22 -0.67 0.00 0.00 178.83 178.35 3bsb h LYS 1127N 0.13 1.07 -0.90 1.46 1.63 -0.04 -1.47 116.57 118.46 3bsb h LYS 1127Ca 0.31 -0.07 0.00 0.00 -0.85 0.00 0.00 60.65 60.04 3bsb h LYS 1127Cb 0.49 -0.24 -0.04 0.00 -0.60 0.00 0.00 32.23 31.84 3bsb h LYS 1127CO -0.50 0.72 0.57 0.52 -3.45 0.00 0.00 179.45 177.31 3bsb h MET 1128N 1.10 1.20 -0.19 1.90 2.86 0.27 0.41 114.93 122.48 3bsb h MET 1128Ca 0.29 -0.09 -0.08 0.00 -2.06 0.00 0.00 59.70 57.76 3bsb h MET 1128Cb -0.11 -0.26 -0.01 0.00 0.06 0.00 0.00 31.60 31.28 3bsb h MET 1128CO -0.06 0.82 -0.22 0.82 1.06 0.00 0.00 176.91 179.33 3bsb h ILE 1129N 1.23 1.24 0.01 -1.22 2.04 -0.56 0.46 117.51 120.71 3bsb h ILE 1129Ca 0.33 -1.11 -0.20 0.00 1.00 0.00 0.00 64.86 64.87 3bsb h ILE 1129Cb -0.09 1.34 -0.02 0.00 -0.74 0.00 0.00 36.82 37.31 3bsb h ILE 1129CO -0.07 0.35 -0.94 0.44 0.00 0.00 0.00 178.15 177.93 3bsb h ASP 1130N 0.30 0.10 0.19 1.72 5.19 -0.41 -3.33 116.42 120.18 3bsb h ASP 1130Ca 0.05 -0.09 0.00 0.00 -0.62 0.00 0.00 57.03 56.37 3bsb h ASP 1130Cb 0.56 -0.03 0.00 0.00 0.18 0.00 0.00 39.33 40.04 3bsb h ASP 1130CO 0.04 0.98 -1.48 1.33 -3.12 0.00 0.00 179.24 176.99 3bsb n VAL 1131N -3.50 0.10 -1.78 -1.35 0.24 0.05 -4.95 118.33 107.12 3bsb n VAL 1131Ca -0.02 -0.34 -0.41 0.00 -2.04 0.00 0.00 64.34 61.53 3bsb n VAL 1131Cb 0.87 0.22 -0.01 0.00 -1.47 0.00 0.00 33.84 33.46 3bsb n VAL 1131CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3bsb s ALA 1132N -3.32 3.64 0.14 2.33 0.00 0.16 -4.96 121.76 119.74 3bsb s ALA 1132Ca -0.01 1.59 -0.26 0.00 0.00 0.00 0.00 51.96 53.27 3bsb s ALA 1132Cb 0.14 -3.63 -0.07 0.00 0.00 0.00 0.00 23.12 19.56 3bsb s ALA 1132CO 0.87 -1.05 0.81 -1.21 0.00 0.00 0.00 175.76 175.18 3bsb s GLU 1133N -1.56 4.60 0.00 0.00 2.02 -1.26 -4.79 118.70 117.71 3bsb s GLU 1133Ca 0.56 1.20 0.00 0.00 0.02 0.00 0.00 54.97 56.76 3bsb s GLU 1133Cb -0.47 -3.30 0.00 0.00 0.10 0.00 0.00 34.13 30.46 3bsb s GLU 1133CO 0.58 0.46 0.00 -2.30 0.02 0.00 0.00 175.26 174.02 3bsb n PRO 1134N 1.99 0.00 0.00 0.39 -0.02 -1.26 -2.20 135.00 133.91 3bsb n PRO 1134Ca -0.04 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.44 3bsb n PRO 1134Cb 0.49 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.97 3bsb n PRO 1134CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3bsb n GLY 1135N -0.47 -3.54 0.36 -1.23 0.00 -1.26 -2.97 105.19 96.08 3bsb n GLY 1135Ca 0.00 0.64 -0.02 0.00 0.00 0.00 0.00 46.02 46.64 3bsb n GLY 1135CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3bsb h GLN 1136N 0.00 1.18 -0.44 1.61 4.20 -1.83 -3.07 115.11 116.77 3bsb h GLN 1136Ca 0.00 -0.11 0.04 0.00 0.06 0.00 0.00 58.65 58.64 3bsb h GLN 1136Cb 0.00 -0.24 -0.05 0.00 0.30 0.00 0.00 27.48 27.48 3bsb h GLN 1136CO 0.00 0.83 -0.24 -2.13 -0.67 0.00 0.00 178.83 176.62 3bsb n ARG 1137N -4.36 -0.18 -0.14 1.46 0.63 -1.16 0.24 116.66 113.16 3bsb n ARG 1137Ca 0.09 0.66 -0.09 0.00 -0.92 0.00 0.00 57.85 57.60 3bsb n ARG 1137Cb 0.07 -0.97 -0.07 0.00 0.45 0.00 0.00 32.46 31.94 3bsb n ARG 1137CO 0.00 0.00 0.00 0.87 -2.51 0.00 0.00 177.63 175.99 3bsb h LYS 1138N 0.00 -0.20 -0.75 -0.14 1.57 -1.55 0.12 116.57 115.63 3bsb h LYS 1138Ca 0.08 0.01 0.15 0.00 -1.87 0.00 0.00 60.65 59.03 3bsb h LYS 1138Cb 0.19 0.04 -0.14 0.00 0.08 0.00 0.00 32.23 32.40 3bsb h LYS 1138CO -0.41 -0.13 -0.16 0.82 -0.57 0.00 0.00 179.45 178.99 3bsb h ILE 1139N -0.20 0.26 0.77 1.86 2.04 0.29 0.22 117.51 122.75 3bsb h ILE 1139Ca 0.06 -0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.88 3bsb h ILE 1139Cb 0.37 0.25 -0.00 0.00 -0.74 0.00 0.00 36.82 36.70 3bsb h ILE 1139CO -0.45 0.00 -0.45 0.58 0.00 0.00 0.00 178.15 177.83 3bsb h VAL 1140N 0.01 0.09 -0.95 1.67 2.07 -0.38 -0.54 116.25 118.22 3bsb h VAL 1140Ca 0.37 0.00 0.23 0.00 0.82 0.00 0.00 66.70 68.12 3bsb h VAL 1140Cb 0.58 0.09 -0.07 0.00 -1.52 0.00 0.00 31.29 30.37 3bsb h VAL 1140CO -0.76 0.00 0.63 0.24 0.02 0.00 0.00 177.57 177.70 3bsb h MET 1141N -1.14 0.33 -0.14 1.57 2.86 -0.13 0.18 114.93 118.46 3bsb h MET 1141Ca -0.10 -0.02 -0.07 0.00 -2.06 0.00 0.00 59.70 57.45 3bsb h MET 1141Cb 0.91 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.48 3bsb h MET 1141CO 0.12 0.22 -0.22 1.25 1.06 0.00 0.00 176.91 179.33 3bsb h HIS 1142N 0.34 0.26 0.00 -0.22 6.17 0.48 -1.54 115.15 120.63 3bsb h HIS 1142Ca 0.50 -0.04 0.00 0.00 0.71 0.00 0.00 60.37 61.54 3bsb h HIS 1142Cb 1.36 -0.07 0.00 0.00 2.52 0.00 0.00 27.41 31.22 3bsb h HIS 1142CO -0.00 0.45 -0.84 -0.22 0.71 0.00 0.00 177.93 178.03 3bsb h LYS 1143N 0.22 0.00 0.00 5.26 1.63 0.85 -3.38 116.57 121.15 3bsb h LYS 1143Ca 0.04 0.00 -0.15 0.00 -0.85 0.00 0.00 60.65 59.68 3bsb h LYS 1143Cb 0.52 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.13 3bsb h LYS 1143CO 0.04 0.00 -0.84 0.82 -3.45 0.00 0.00 179.45 176.02 3bsb h ILE 1144N 0.00 1.21 -0.80 2.00 2.04 -1.11 -3.39 117.51 117.45 3bsb h ILE 1144Ca 0.00 -2.24 0.32 0.00 1.00 0.00 0.00 64.86 63.95 3bsb h ILE 1144Cb 0.94 2.62 -0.13 0.00 -0.74 0.00 0.00 36.82 39.51 3bsb h ILE 1144CO 0.00 0.41 0.45 -1.14 0.00 0.00 0.00 178.15 177.88 3bsb n ARG 1145N -4.49 -0.04 0.27 2.37 0.63 -0.60 0.91 116.66 115.72 3bsb n ARG 1145Ca -0.25 1.02 0.13 0.00 -0.92 0.00 0.00 57.85 57.83 3bsb n ARG 1145Cb 0.61 -1.86 0.79 0.00 0.45 0.00 0.00 32.46 32.45 3bsb n ARG 1145CO 0.00 0.00 0.00 -1.35 -2.51 0.00 0.00 177.63 173.77 3bsb h PRO 1146N 0.00 0.00 -0.96 -0.14 0.11 -1.78 -2.75 132.00 126.48 3bsb h PRO 1146Ca 0.64 0.00 -0.47 0.00 0.11 0.00 0.00 66.00 66.28 3bsb h PRO 1146Cb 1.77 0.00 -0.28 0.00 0.11 0.00 0.00 31.00 32.60 3bsb h PRO 1146CO -0.54 0.08 0.59 0.72 -0.21 0.00 0.00 178.00 178.64 3bsb n HIS 1147N -3.74 2.98 -0.25 0.65 8.25 0.26 -4.57 115.22 118.80 3bsb n HIS 1147Ca -0.02 -1.74 -0.06 0.00 -0.26 0.00 0.00 57.72 55.63 3bsb n HIS 1147Cb 0.18 -0.91 0.05 0.00 1.12 0.00 0.00 29.99 30.43 3bsb n HIS 1147CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 3bsb h ILE 1148N 1.29 1.23 -0.88 1.59 2.04 -1.59 -2.31 117.51 118.88 3bsb h ILE 1148Ca 0.58 -0.67 0.04 0.00 1.00 0.00 0.00 64.86 65.81 3bsb h ILE 1148Cb 2.79 0.41 -0.06 0.00 -0.74 0.00 0.00 36.82 39.22 3bsb h ILE 1148CO 1.05 0.28 0.56 0.00 0.00 0.00 0.00 178.15 180.04 3bsb h ALA 1149N 1.15 1.18 0.00 1.87 0.00 -1.87 -0.94 119.26 120.65 3bsb h ALA 1149Ca 0.23 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 3bsb h ALA 1149Cb 0.14 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3bsb h ALA 1149CO -0.03 0.37 -0.19 1.15 0.00 0.00 0.00 179.25 180.55 3bsb h THR 1150N 1.07 0.63 0.00 0.00 2.02 -1.81 -2.49 112.91 112.34 3bsb h THR 1150Ca 0.36 -0.86 -0.01 0.00 0.77 0.00 0.00 66.41 66.67 3bsb h THR 1150Cb 0.07 1.56 -0.00 0.00 -1.74 0.00 0.00 68.15 68.03 3bsb h THR 1150CO -0.14 0.19 -0.06 -0.07 0.37 0.00 0.00 175.52 175.81 3bsb h LEU 1151N 0.00 0.00 0.00 2.58 3.38 -0.63 -3.18 115.31 117.46 3bsb h LEU 1151Ca -0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 3bsb h LEU 1151Cb 0.54 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 3bsb h LEU 1151CO 0.03 0.06 -0.50 0.03 0.09 0.00 0.00 178.44 178.15 3bsb h ARG 1152N 0.00 0.00 0.00 1.13 3.08 -1.18 -3.24 114.38 114.17 3bsb h ARG 1152Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3bsb h ARG 1152Cb 0.90 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.95 3bsb h ARG 1152CO 0.01 0.19 0.00 0.36 -1.07 0.00 0.00 179.97 179.46 3bsb n LYS 1153N -4.62 0.07 -2.16 0.04 2.85 -1.08 -4.61 118.16 108.65 3bsb n LYS 1153Ca -0.10 0.26 -0.10 0.00 -1.05 0.00 0.00 58.31 57.32 3bsb n LYS 1153Cb 0.28 -1.50 0.02 0.00 -0.65 0.00 0.00 35.03 33.19 3bsb n LYS 1153CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 3bsb n TYR 1154N -1.39 -2.19 -0.08 5.58 0.53 -1.20 -5.07 117.16 113.34 3bsb n TYR 1154Ca 0.03 -1.06 -0.09 0.00 -1.02 0.00 0.00 57.90 55.76 3bsb n TYR 1154Cb 0.09 -0.25 -0.11 0.00 -1.03 0.00 0.00 39.34 38.04 3bsb n TYR 1154CO 0.00 0.00 0.00 2.41 -1.02 0.00 0.00 176.86 178.25 3bsb n THR 1155N -1.48 1.05 -0.92 -0.72 -1.04 -1.26 -4.61 114.28 105.31 3bsb n THR 1155Ca 0.05 -0.56 -0.16 0.00 -2.04 0.00 0.00 64.05 61.34 3bsb n THR 1155Cb 0.30 -0.80 0.02 0.00 -1.82 0.00 0.00 70.33 68.02 3bsb n THR 1155CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 3bsb n TYR 1156N -2.73 1.34 -0.01 -1.42 4.01 -1.26 -4.20 117.16 112.88 3bsb n TYR 1156Ca -0.28 -1.85 -0.02 0.00 -0.16 0.00 0.00 57.90 55.59 3bsb n TYR 1156Cb 0.94 -0.97 -0.02 0.00 -0.31 0.00 0.00 39.34 38.99 3bsb n TYR 1156CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3bsb n GLY 1157N 0.59 -0.06 0.44 2.72 0.00 -1.23 -4.65 105.19 103.01 3bsb n GLY 1157Ca 0.29 -0.02 0.27 0.00 0.00 0.00 0.00 46.02 46.56 3bsb n GLY 1157CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3bsb h LYS 1158N 0.00 0.26 0.56 1.61 2.10 -1.73 1.41 116.57 120.78 3bsb h LYS 1158Ca -0.07 -0.02 -0.03 0.00 -2.00 0.00 0.00 60.65 58.54 3bsb h LYS 1158Cb 1.12 -0.06 0.01 0.00 -0.90 0.00 0.00 32.23 32.39 3bsb h LYS 1158CO -0.01 0.17 -0.27 0.45 -2.00 0.00 0.00 179.45 177.79 3bsb h HIS 1159N 0.26 -0.70 0.20 0.07 -0.00 -1.87 0.39 115.15 113.50 3bsb h HIS 1159Ca 0.59 -0.02 -0.01 0.00 -0.00 0.00 0.00 60.37 60.94 3bsb h HIS 1159Cb 1.76 0.23 0.00 0.00 -0.00 0.00 0.00 27.41 29.40 3bsb h HIS 1159CO -0.00 -0.37 -0.10 0.82 -0.00 0.00 0.00 177.93 178.28 3bsb h ILE 1160N -0.98 0.86 -0.55 2.45 1.08 -1.32 -3.11 117.51 115.93 3bsb h ILE 1160Ca -0.08 -0.26 0.11 0.00 -0.39 0.00 0.00 64.86 64.25 3bsb h ILE 1160Cb 0.64 1.01 -0.09 0.00 -3.07 0.00 0.00 36.82 35.32 3bsb h ILE 1160CO 0.13 0.06 0.04 0.25 -0.69 0.00 0.00 178.15 177.93 3bsb h LEU 1161N -0.39 -0.16 -2.00 1.44 5.85 0.18 0.20 115.31 120.43 3bsb h LEU 1161Ca -0.03 0.12 0.16 0.00 0.84 0.00 0.00 57.88 58.98 3bsb h LEU 1161Cb 0.30 0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.52 3bsb h LEU 1161CO 0.04 -0.06 0.41 0.00 -0.34 0.00 0.00 178.44 178.50 3bsb h ALA 1162N 1.48 2.52 0.23 1.25 0.00 -0.15 0.20 119.26 124.79 3bsb h ALA 1162Ca 0.29 -0.02 -0.33 0.00 0.00 0.00 0.00 54.91 54.85 3bsb h ALA 1162Cb 0.44 0.04 0.04 0.00 0.00 0.00 0.00 17.79 18.31 3bsb h ALA 1162CO -0.44 -0.70 -1.42 0.87 0.00 0.00 0.00 179.25 177.57 3bsb h LYS 1163N 0.00 0.56 0.12 0.00 1.57 -0.61 -2.56 116.57 115.65 3bsb h LYS 1163Ca 0.27 -0.90 0.00 0.00 -1.87 0.00 0.00 60.65 58.14 3bsb h LYS 1163Cb 1.08 0.33 -0.01 0.00 0.08 0.00 0.00 32.23 33.72 3bsb h LYS 1163CO -0.00 1.43 -0.10 1.25 -0.57 0.00 0.00 179.45 181.45 3bsb h LEU 1164N 0.16 -0.27 -0.69 2.94 6.46 0.18 -2.00 115.31 122.09 3bsb h LEU 1164Ca -0.24 0.02 0.05 0.00 -0.12 0.00 0.00 57.88 57.59 3bsb h LEU 1164Cb 2.11 0.09 -0.05 0.00 -0.73 0.00 0.00 40.66 42.08 3bsb h LEU 1164CO 0.27 -0.16 0.41 -0.33 -0.62 0.00 0.00 178.44 178.00 3bsb h GLU 1165N -0.24 0.75 0.46 1.25 5.08 -0.78 -3.18 114.58 117.92 3bsb h GLU 1165Ca -0.00 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 3bsb h GLU 1165Cb 0.22 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.31 3bsb h GLU 1165CO -0.02 0.50 -0.22 -0.22 -1.00 0.00 0.00 179.01 178.05 3bsb h LYS 1166N 0.77 -0.60 0.00 2.33 3.64 -1.18 -3.04 116.57 118.50 3bsb h LYS 1166Ca 0.29 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.71 3bsb h LYS 1166Cb 0.11 0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.07 3bsb h LYS 1166CO -0.15 -0.40 0.36 -0.92 -2.27 0.00 0.00 179.45 176.07 3bsb h TYR 1167N -0.65 0.00 -0.02 1.91 5.03 -1.43 -3.51 116.97 118.29 3bsb h TYR 1167Ca -0.06 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.25 3bsb h TYR 1167Cb 0.48 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.76 3bsb h TYR 1167CO 0.11 0.00 0.00 0.66 -1.32 0.00 0.00 178.16 177.61