#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dnr s SER 887 N 0.00 3.74 -0.51 1.61 0.15 -1.26 -5.07 113.70 112.36 2dnr s SER 887 Ca 0.00 -3.29 -0.28 0.00 0.70 0.00 0.00 55.95 53.09 2dnr s SER 887 Cb 0.00 -1.22 -0.00 0.00 -1.71 0.00 0.00 66.02 63.09 2dnr s SER 887 CO 0.00 -0.16 1.59 -0.55 1.20 0.00 0.00 173.24 175.32 2dnr s SER 888 N -0.55 5.90 0.00 5.45 0.15 -1.26 -4.81 113.70 118.58 2dnr s SER 888 Ca 0.24 0.55 0.00 0.00 0.70 0.00 0.00 55.95 57.44 2dnr s SER 888 Cb -0.10 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.67 2dnr s SER 888 CO -0.11 -1.84 0.00 0.61 1.20 0.00 0.00 173.24 173.10 2dnr n GLY 889 N 5.38 3.53 3.64 9.45 0.00 -1.26 -4.99 105.19 120.94 2dnr n GLY 889 Ca 0.17 -0.14 -0.27 0.00 0.00 0.00 0.00 46.02 45.78 2dnr n GLY 889 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dnr n SER 890 N 0.00 -4.98 -0.09 1.61 7.64 -1.26 -4.87 113.62 111.68 2dnr n SER 890 Ca 0.00 -0.60 -0.09 0.00 1.01 0.00 0.00 58.87 59.19 2dnr n SER 890 Cb 0.00 -3.99 -0.03 0.00 -1.01 0.00 0.00 64.21 59.18 2dnr n SER 890 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 2dnr h SER 891 N -1.82 -1.11 0.00 6.43 0.87 -1.95 -3.44 113.55 112.53 2dnr h SER 891 Ca -0.54 0.18 0.00 0.00 -1.23 0.00 0.00 61.79 60.20 2dnr h SER 891 Cb 1.36 0.50 0.00 0.00 -0.44 0.00 0.00 62.40 63.82 2dnr h SER 891 CO 0.62 -0.34 0.00 0.61 -0.53 0.00 0.00 176.83 177.19 2dnr n GLY 892 N -1.42 2.57 2.69 5.77 0.00 -1.26 -5.02 105.19 108.53 2dnr n GLY 892 Ca -0.00 -0.84 -0.03 0.00 0.00 0.00 0.00 46.02 45.14 2dnr n GLY 892 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dnr n GLY 893 N 5.00 1.84 3.64 -0.02 0.00 -1.26 -4.40 105.19 109.98 2dnr n GLY 893 Ca 0.00 -0.22 -0.40 0.00 0.00 0.00 0.00 46.02 45.40 2dnr n GLY 893 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2dnr s THR 894 N -0.11 5.02 -0.03 2.61 2.01 -1.26 -2.85 115.64 121.04 2dnr s THR 894 Ca 0.14 1.09 0.03 0.00 0.31 0.00 0.00 61.69 63.26 2dnr s THR 894 Cb 0.43 -3.91 -0.03 0.00 0.01 0.00 0.00 72.50 69.00 2dnr s THR 894 CO -0.11 0.08 -0.10 0.68 -0.69 0.00 0.00 174.62 174.48 2dnr s VAL 895 N 2.16 3.41 0.18 3.82 -7.23 0.16 -3.08 120.40 119.81 2dnr s VAL 895 Ca 0.26 -0.70 -0.10 0.00 -1.81 0.00 0.00 61.98 59.63 2dnr s VAL 895 Cb -0.16 -2.40 -0.07 0.00 0.56 0.00 0.00 36.38 34.31 2dnr s VAL 895 CO 0.09 0.52 0.50 -0.76 -0.31 0.00 0.00 175.10 175.14 2dnr s LEU 896 N -1.01 4.25 -0.09 1.32 1.02 0.11 0.34 118.68 124.62 2dnr s LEU 896 Ca 0.14 0.89 -0.04 0.00 0.02 0.00 0.00 54.13 55.14 2dnr s LEU 896 Cb -0.11 -3.43 0.05 0.00 0.02 0.00 0.00 46.19 42.72 2dnr s LEU 896 CO 0.03 0.02 0.21 -0.69 0.02 0.00 0.00 176.35 175.94 2dnr s VAL 897 N -1.65 -0.12 0.13 -1.59 1.01 0.18 -1.04 120.40 117.32 2dnr s VAL 897 Ca 0.42 0.20 0.07 0.00 0.00 0.00 0.00 61.98 62.67 2dnr s VAL 897 Cb -0.13 -0.34 -0.04 0.00 0.00 0.00 0.00 36.38 35.88 2dnr s VAL 897 CO 0.21 0.08 -0.16 -0.55 0.00 0.00 0.00 175.10 174.68 2dnr s SER 898 N 1.53 2.22 -0.08 3.32 0.15 -0.42 -0.88 113.70 119.53 2dnr s SER 898 Ca -0.06 -0.80 0.04 0.00 0.70 0.00 0.00 55.95 55.83 2dnr s SER 898 Cb -0.11 -0.10 0.00 0.00 -1.71 0.00 0.00 66.02 64.10 2dnr s SER 898 CO -0.07 -0.09 -0.20 0.27 1.20 0.00 0.00 173.24 174.35 2dnr s ILE 899 N -1.94 1.76 -0.25 6.45 -4.36 -1.26 0.04 121.20 121.64 2dnr s ILE 899 Ca 0.10 -0.85 -0.20 0.00 -0.26 0.00 0.00 60.65 59.44 2dnr s ILE 899 Cb -0.06 -1.53 -0.02 0.00 1.25 0.00 0.00 42.46 42.10 2dnr s ILE 899 CO 0.04 0.49 0.62 -0.54 0.24 0.00 0.00 174.94 175.80 2dnr s LYS 900 N 0.39 4.11 -0.01 0.37 1.02 0.72 -4.88 119.74 121.47 2dnr s LYS 900 Ca -0.16 0.54 0.02 0.00 0.02 0.00 0.00 55.97 56.39 2dnr s LYS 900 Cb -0.17 -3.65 -0.00 0.00 -0.52 0.00 0.00 37.83 33.49 2dnr s LYS 900 CO 0.07 -0.41 -0.06 0.45 -0.92 0.00 0.00 175.35 174.48 2dnr s SER 901 N 1.47 0.78 0.20 2.83 0.15 -1.26 -3.87 113.70 114.00 2dnr s SER 901 Ca 0.26 -0.12 -0.17 0.00 0.70 0.00 0.00 55.95 56.62 2dnr s SER 901 Cb -0.15 -0.12 0.20 0.00 -1.71 0.00 0.00 66.02 64.24 2dnr s SER 901 CO 0.08 0.07 1.40 -1.54 1.20 0.00 0.00 173.24 174.45 2dnr n SER 902 N 3.02 -0.61 -4.88 5.45 3.41 -1.26 -4.31 113.62 114.43 2dnr n SER 902 Ca -0.14 1.57 -0.33 0.00 -0.26 0.00 0.00 58.87 59.71 2dnr n SER 902 Cb 0.57 -0.35 -0.05 0.00 -0.26 0.00 0.00 64.21 64.12 2dnr n SER 902 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2dnr s LEU 903 N -10.62 4.30 0.15 1.04 1.43 -1.26 -5.01 118.68 108.71 2dnr s LEU 903 Ca -0.12 0.71 0.04 0.00 -1.03 0.00 0.00 54.13 53.73 2dnr s LEU 903 Cb 0.18 -3.16 -0.06 0.00 0.03 0.00 0.00 46.19 43.18 2dnr s LEU 903 CO 0.64 0.11 1.35 1.55 0.23 0.00 0.00 176.35 180.22 2dnr h PRO 904 N 3.26 0.14 0.00 1.29 0.13 -2.02 -3.14 132.00 131.67 2dnr h PRO 904 Ca -0.48 -0.17 0.00 0.00 -0.87 0.00 0.00 66.00 64.48 2dnr h PRO 904 Cb 1.18 0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2dnr h PRO 904 CO 0.69 0.96 0.00 -0.85 -0.23 0.00 0.00 178.00 178.58 2dnr n GLU 905 N -3.58 0.02 -0.44 0.86 0.28 -1.26 -1.43 120.64 115.09 2dnr n GLU 905 Ca -0.03 0.30 0.10 0.00 -0.16 0.00 0.00 57.16 57.37 2dnr n GLU 905 Cb 0.85 -1.50 0.32 0.00 1.43 0.00 0.00 31.44 32.54 2dnr n GLU 905 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 2dnr n ASN 906 N -1.48 4.14 0.00 -1.84 3.02 -1.18 -4.33 115.26 113.59 2dnr n ASN 906 Ca 0.03 -2.17 0.10 0.00 -0.03 0.00 0.00 54.58 52.51 2dnr n ASN 906 Cb 0.13 -0.50 0.57 0.00 -0.61 0.00 0.00 39.78 39.37 2dnr n ASN 906 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2dnr n ASN 907 N 1.33 0.00 -4.70 6.41 4.13 -0.51 -4.74 115.26 117.18 2dnr n ASN 907 Ca 0.24 -0.42 -0.42 0.00 1.68 0.00 0.00 54.58 55.66 2dnr n ASN 907 Cb 0.70 -0.10 -0.03 0.00 -1.54 0.00 0.00 39.78 38.81 2dnr n ASN 907 CO 0.00 0.00 0.00 -0.36 0.28 0.00 0.00 177.26 177.18 2dnr s PHE 908 N -2.20 3.61 -0.10 3.10 0.08 -1.26 -4.85 117.98 116.36 2dnr s PHE 908 Ca 0.27 1.60 -0.30 0.00 0.12 0.00 0.00 56.93 58.62 2dnr s PHE 908 Cb 0.14 -3.09 -0.03 0.00 -0.57 0.00 0.00 43.02 39.46 2dnr s PHE 908 CO 0.26 -0.06 1.37 -0.06 -0.10 0.00 0.00 175.22 176.63 2dnr s PHE 909 N 1.26 2.69 0.60 0.36 0.40 -1.26 -5.02 117.98 117.01 2dnr s PHE 909 Ca 0.49 0.81 -0.05 0.00 -0.60 0.00 0.00 56.93 57.58 2dnr s PHE 909 Cb -0.20 -3.62 0.02 0.00 0.51 0.00 0.00 43.02 39.74 2dnr s PHE 909 CO 0.24 -2.27 0.89 0.34 0.70 0.00 0.00 175.22 175.11 2dnr s ASP 910 N 2.22 5.41 0.25 1.36 2.15 -1.26 -4.83 116.67 121.98 2dnr s ASP 910 Ca 0.61 0.54 -0.03 0.00 0.43 0.00 0.00 52.55 54.09 2dnr s ASP 910 Cb -0.26 -1.47 0.52 0.00 -0.30 0.00 0.00 42.92 41.41 2dnr s ASP 910 CO 0.21 -1.15 1.70 -0.78 -0.17 0.00 0.00 175.17 174.97 2dnr h ASP 911 N -0.19 0.13 0.20 -0.34 3.58 -1.99 0.45 116.42 118.27 2dnr h ASP 911 Ca -0.45 0.14 -0.01 0.00 0.42 0.00 0.00 57.03 57.13 2dnr h ASP 911 Cb 1.27 0.16 0.00 0.00 1.72 0.00 0.00 39.33 42.49 2dnr h ASP 911 CO 0.59 -0.00 -0.10 0.00 -2.88 0.00 0.00 179.24 176.85 2dnr h ALA 912 N 1.62 -0.27 -0.36 -0.78 0.00 -1.98 0.25 119.26 117.74 2dnr h ALA 912 Ca 0.45 -0.12 0.07 0.00 0.00 0.00 0.00 54.91 55.31 2dnr h ALA 912 Cb 0.77 0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.60 2dnr h ALA 912 CO -0.50 -0.58 -0.03 -0.07 0.00 0.00 0.00 179.25 178.08 2dnr h LEU 913 N -0.42 -0.21 0.60 0.00 3.38 -1.66 0.07 115.31 117.08 2dnr h LEU 913 Ca -0.03 0.09 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 2dnr h LEU 913 Cb 0.32 0.17 0.01 0.00 0.09 0.00 0.00 40.66 41.25 2dnr h LEU 913 CO 0.04 -0.07 -0.29 0.40 0.09 0.00 0.00 178.44 178.62 2dnr h ILE 914 N 0.06 0.00 -0.67 1.22 2.04 -0.89 -2.27 117.51 117.01 2dnr h ILE 914 Ca 0.18 -0.25 0.07 0.00 1.00 0.00 0.00 64.86 65.86 2dnr h ILE 914 Cb 0.26 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 36.24 2dnr h ILE 914 CO -0.32 0.00 -0.53 -0.78 0.00 0.00 0.00 178.15 176.51 2dnr h ASP 915 N -1.06 -1.88 -0.43 1.72 3.58 -0.42 -0.16 116.42 117.76 2dnr h ASP 915 Ca -0.08 0.27 0.09 0.00 0.42 0.00 0.00 57.03 57.72 2dnr h ASP 915 Cb 0.62 0.81 -0.09 0.00 1.72 0.00 0.00 39.33 42.38 2dnr h ASP 915 CO 0.14 -0.29 -0.25 -0.33 -2.88 0.00 0.00 179.24 175.63 2dnr h GLU 916 N -0.18 -0.15 -0.42 0.28 4.39 -1.06 -1.81 114.58 115.63 2dnr h GLU 916 Ca 0.11 0.01 0.08 0.00 0.34 0.00 0.00 59.36 59.90 2dnr h GLU 916 Cb 0.46 0.04 -0.09 0.00 -0.10 0.00 0.00 28.75 29.05 2dnr h GLU 916 CO -0.72 -0.10 -0.34 -0.07 -1.16 0.00 0.00 179.01 176.62 2dnr h LEU 917 N -0.16 -1.14 -0.76 1.33 3.38 -0.46 -2.00 115.31 115.50 2dnr h LEU 917 Ca 0.20 0.20 0.08 0.00 0.09 0.00 0.00 57.88 58.45 2dnr h LEU 917 Cb 0.48 0.53 -0.10 0.00 0.09 0.00 0.00 40.66 41.67 2dnr h LEU 917 CO -0.53 -0.33 -0.43 0.18 0.09 0.00 0.00 178.44 177.43 2dnr n LEU 918 N -5.42 -0.76 -0.22 1.67 4.77 -0.45 0.14 117.00 116.72 2dnr n LEU 918 Ca 0.01 1.35 0.00 0.00 -0.03 0.00 0.00 56.01 57.34 2dnr n LEU 918 Cb 0.34 -0.19 0.12 0.00 -2.33 0.00 0.00 43.42 41.36 2dnr n LEU 918 CO 0.06 -1.12 1.04 1.56 -1.33 0.00 0.00 177.39 177.60 2dnr h GLN 919 N 0.00 0.53 -0.91 3.23 4.20 -1.36 -0.34 115.11 120.45 2dnr h GLN 919 Ca 0.14 -0.03 0.06 0.00 0.06 0.00 0.00 58.65 58.88 2dnr h GLN 919 Cb 0.33 -0.12 -0.06 0.00 0.30 0.00 0.00 27.48 27.93 2dnr h GLN 919 CO -0.72 0.35 0.58 1.96 -0.67 0.00 0.00 178.83 180.33 2dnr h GLN 920 N 0.54 1.04 -0.16 1.46 1.08 0.15 -1.56 115.11 117.66 2dnr h GLN 920 Ca 0.32 -0.06 -0.13 0.00 -1.45 0.00 0.00 58.65 57.33 2dnr h GLN 920 Cb 0.34 -0.23 -0.01 0.00 -0.05 0.00 0.00 27.48 27.52 2dnr h GLN 920 CO -0.26 0.69 -0.47 0.74 -0.95 0.00 0.00 178.83 178.58 2dnr h PHE 921 N 1.07 0.48 -0.42 2.96 0.04 0.35 -2.98 116.94 118.43 2dnr h PHE 921 Ca 0.39 -0.15 -0.00 0.00 2.80 0.00 0.00 57.97 61.01 2dnr h PHE 921 Cb 0.14 -0.10 -0.02 0.00 2.20 0.00 0.00 35.95 38.17 2dnr h PHE 921 CO -0.02 0.79 0.24 0.00 -0.60 0.00 0.00 178.31 178.73 2dnr h ALA 922 N 1.18 1.63 -0.54 2.45 0.00 -0.10 0.44 119.26 124.33 2dnr h ALA 922 Ca 0.02 -0.06 0.16 0.00 0.00 0.00 0.00 54.91 55.03 2dnr h ALA 922 Cb 0.94 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 2dnr h ALA 922 CO 0.08 0.32 0.76 0.77 0.00 0.00 0.00 179.25 181.18 2dnr h SER 923 N 0.58 0.00 0.00 0.00 0.02 -1.29 -3.21 113.55 109.65 2dnr h SER 923 Ca 0.15 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 2dnr h SER 923 Cb -0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2dnr h SER 923 CO -0.03 0.00 -0.34 0.49 -1.14 0.00 0.00 176.83 175.81 2dnr n PHE 924 N -3.30 -0.40 -4.60 3.45 3.01 -0.76 -5.08 117.46 109.77 2dnr n PHE 924 Ca 0.11 0.07 -0.23 0.00 1.01 0.00 0.00 57.45 58.41 2dnr n PHE 924 Cb 0.95 0.16 -0.16 0.00 -0.01 0.00 0.00 39.48 40.42 2dnr n PHE 924 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 2dnr s GLY 925 N -4.63 0.73 -0.77 1.37 0.00 0.15 -4.94 107.32 99.22 2dnr s GLY 925 Ca 0.00 -0.50 -0.26 0.00 0.00 0.00 0.00 44.72 43.96 2dnr s GLY 925 CO 0.00 -0.19 1.36 1.85 0.00 0.00 0.00 173.10 176.12 2dnr s GLU 926 N 0.17 3.20 0.64 2.90 2.56 -1.26 -2.73 118.70 124.17 2dnr s GLU 926 Ca -0.04 -0.31 -0.17 0.00 0.00 0.00 0.00 54.97 54.45 2dnr s GLU 926 Cb -0.10 -4.38 -0.05 0.00 2.00 0.00 0.00 34.13 31.59 2dnr s GLU 926 CO 0.01 -2.22 0.65 0.28 -0.56 0.00 0.00 175.26 173.42 2dnr n VAL 927 N 6.54 2.48 0.00 3.70 0.31 -1.26 -3.86 118.33 126.24 2dnr n VAL 927 Ca 0.09 -0.46 0.00 0.00 -0.01 0.00 0.00 64.34 63.97 2dnr n VAL 927 Cb 0.49 -0.83 0.00 0.00 -0.91 0.00 0.00 33.84 32.60 2dnr n VAL 927 CO 0.00 0.00 0.00 2.30 -1.32 0.00 0.00 176.83 177.81 2dnr n ILE 928 N -2.01 0.00 -4.18 2.52 -5.35 -1.18 -4.88 119.36 104.29 2dnr n ILE 928 Ca 0.12 0.00 -0.17 0.00 -0.27 0.00 0.00 62.75 62.43 2dnr n ILE 928 Cb 0.48 -0.82 -0.12 0.00 -1.74 0.00 0.00 39.64 37.44 2dnr n ILE 928 CO 0.00 0.00 0.00 -0.22 -1.76 0.00 0.00 176.55 174.57 2dnr s LEU 929 N -5.12 2.22 -0.04 7.28 2.96 -1.26 -5.04 118.68 119.69 2dnr s LEU 929 Ca 0.00 -0.51 0.02 0.00 -0.22 0.00 0.00 54.13 53.42 2dnr s LEU 929 Cb 0.00 -0.39 0.01 0.00 0.50 0.00 0.00 46.19 46.31 2dnr s LEU 929 CO 0.00 -0.08 -0.07 -0.63 -1.32 0.00 0.00 176.35 174.25 2dnr s ILE 930 N -1.11 0.68 -0.14 6.68 1.01 -1.26 -0.04 121.20 127.02 2dnr s ILE 930 Ca -0.04 -0.26 0.02 0.00 0.00 0.00 0.00 60.65 60.38 2dnr s ILE 930 Cb -0.09 -0.64 0.01 0.00 0.01 0.00 0.00 42.46 41.75 2dnr s ILE 930 CO 0.01 0.24 -0.20 -0.60 0.00 0.00 0.00 174.94 174.38 2dnr s ARG 931 N 0.53 2.88 -0.25 2.79 3.52 0.18 -5.00 118.95 123.60 2dnr s ARG 931 Ca -0.08 -0.80 -0.19 0.00 -0.13 0.00 0.00 55.73 54.53 2dnr s ARG 931 Cb -0.11 -2.38 -0.02 0.00 -1.56 0.00 0.00 34.95 30.88 2dnr s ARG 931 CO 0.01 -0.07 0.58 -0.06 -0.81 0.00 0.00 175.30 174.96 2dnr s PHE 932 N 0.95 3.28 0.37 5.12 0.08 -1.26 0.90 117.98 127.42 2dnr s PHE 932 Ca -0.04 0.75 -0.05 0.00 0.12 0.00 0.00 56.93 57.71 2dnr s PHE 932 Cb -0.15 -2.79 -0.05 0.00 -0.57 0.00 0.00 43.02 39.46 2dnr s PHE 932 CO -0.04 -0.30 0.65 0.08 -0.10 0.00 0.00 175.22 175.50 2dnr s VAL 933 N 2.40 4.97 0.18 -0.44 1.01 0.42 -4.92 120.40 124.02 2dnr s VAL 933 Ca 0.24 0.07 -0.08 0.00 0.00 0.00 0.00 61.98 62.22 2dnr s VAL 933 Cb -0.16 -3.79 0.26 0.00 0.00 0.00 0.00 36.38 32.69 2dnr s VAL 933 CO 0.09 -0.54 1.09 -0.62 0.00 0.00 0.00 175.10 175.12 2dnr n GLU 934 N -1.50 -0.10 0.00 2.72 1.02 -1.26 -3.01 120.64 118.50 2dnr n GLU 934 Ca -0.01 1.08 0.00 0.00 -0.02 0.00 0.00 57.16 58.21 2dnr n GLU 934 Cb 0.55 -1.61 0.00 0.00 -0.02 0.00 0.00 31.44 30.36 2dnr n GLU 934 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 2dnr n ASP 935 N -5.09 3.70 -4.98 1.62 5.68 -1.26 -5.03 116.55 111.19 2dnr n ASP 935 Ca 0.10 0.00 -0.19 0.00 -0.50 0.00 0.00 54.79 54.20 2dnr n ASP 935 Cb 0.32 0.54 0.04 0.00 -1.14 0.00 0.00 41.12 40.88 2dnr n ASP 935 CO 0.00 0.00 0.00 -0.75 -1.33 0.00 0.00 177.20 175.12 2dnr s LYS 936 N -1.62 2.55 -0.18 0.11 2.20 -1.17 -4.85 119.74 116.77 2dnr s LYS 936 Ca 0.00 -1.27 -0.03 0.00 -0.36 0.00 0.00 55.97 54.31 2dnr s LYS 936 Cb 0.00 -2.65 0.06 0.00 -1.51 0.00 0.00 37.83 33.73 2dnr s LYS 936 CO 0.00 -0.60 0.04 1.41 -0.36 0.00 0.00 175.35 175.84 2dnr s MET 937 N -4.57 0.57 0.25 4.03 -2.45 -0.06 0.16 119.30 117.24 2dnr s MET 937 Ca 0.58 -0.35 -0.13 0.00 -1.25 0.00 0.00 55.69 54.55 2dnr s MET 937 Cb -0.08 -2.01 -0.08 0.00 1.25 0.00 0.00 34.83 33.91 2dnr s MET 937 CO 0.36 -0.62 0.63 -1.58 1.05 0.00 0.00 175.02 174.86 2dnr s TRP 938 N 1.90 3.44 -0.02 4.11 0.51 0.26 0.52 118.94 129.65 2dnr s TRP 938 Ca -0.00 1.05 0.00 0.00 -2.12 0.00 0.00 56.10 55.02 2dnr s TRP 938 Cb -0.17 -2.39 0.03 0.00 -0.81 0.00 0.00 33.47 30.13 2dnr s TRP 938 CO -0.08 0.23 0.02 0.08 -0.51 0.00 0.00 176.95 176.69 2dnr s VAL 939 N -1.82 0.03 0.20 4.03 1.01 0.15 -0.64 120.40 123.36 2dnr s VAL 939 Ca 0.48 0.18 -0.06 0.00 0.00 0.00 0.00 61.98 62.58 2dnr s VAL 939 Cb -0.12 -0.16 -0.06 0.00 0.00 0.00 0.00 36.38 36.05 2dnr s VAL 939 CO 0.20 0.12 0.46 -0.89 0.00 0.00 0.00 175.10 174.98 2dnr s THR 940 N 1.12 5.08 -0.01 3.92 2.01 0.95 -0.66 115.64 128.04 2dnr s THR 940 Ca -0.09 0.13 0.04 0.00 0.31 0.00 0.00 61.69 62.08 2dnr s THR 940 Cb -0.13 -3.65 -0.01 0.00 0.01 0.00 0.00 72.50 68.72 2dnr s THR 940 CO -0.03 -0.07 -0.12 -0.36 -0.69 0.00 0.00 174.62 173.35 2dnr s PHE 941 N -1.79 1.10 0.09 4.92 0.40 -1.13 -3.07 117.98 118.50 2dnr s PHE 941 Ca 0.43 -0.21 -0.18 0.00 -0.60 0.00 0.00 56.93 56.37 2dnr s PHE 941 Cb -0.12 -0.71 -0.04 0.00 0.51 0.00 0.00 43.02 42.66 2dnr s PHE 941 CO 0.25 -0.02 1.06 -0.11 0.70 0.00 0.00 175.22 177.10 2dnr n LEU 942 N 2.80 -0.60 -4.52 -0.37 7.94 -1.25 -4.46 117.00 116.53 2dnr n LEU 942 Ca -0.14 1.20 -0.27 0.00 -1.11 0.00 0.00 56.01 55.69 2dnr n LEU 942 Cb 0.56 -0.23 -0.10 0.00 0.53 0.00 0.00 43.42 44.18 2dnr n LEU 942 CO 0.25 -0.92 -0.45 -1.61 -1.11 0.00 0.00 177.39 173.55 2dnr s GLU 943 N -4.78 1.87 0.10 1.96 2.02 -1.26 -5.01 118.70 113.60 2dnr s GLU 943 Ca -0.07 -1.37 -0.22 0.00 0.02 0.00 0.00 54.97 53.34 2dnr s GLU 943 Cb 0.06 -2.05 -0.11 0.00 0.10 0.00 0.00 34.13 32.14 2dnr s GLU 943 CO 0.35 0.42 1.73 0.78 0.02 0.00 0.00 175.26 178.56 2dnr h GLY 944 N 2.99 0.05 -0.18 -1.39 0.00 -1.78 -2.60 103.07 100.17 2dnr h GLY 944 Ca -0.46 0.02 0.21 0.00 0.00 0.00 0.00 47.33 47.10 2dnr h GLY 944 CO 0.52 -0.03 0.34 0.23 0.00 0.00 0.00 176.54 177.60 2dnr h SER 945 N -0.00 0.24 -0.38 0.19 0.87 -1.96 0.64 113.55 113.15 2dnr h SER 945 Ca 0.03 0.15 0.11 0.00 -1.23 0.00 0.00 61.79 60.86 2dnr h SER 945 Cb 0.05 0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 62.15 2dnr h SER 945 CO -0.07 -0.01 0.30 0.28 -0.53 0.00 0.00 176.83 176.79 2dnr h SER 946 N 0.37 0.00 1.58 6.23 0.02 -1.83 0.25 113.55 120.17 2dnr h SER 946 Ca 0.52 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 61.41 2dnr h SER 946 Cb 0.97 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.50 2dnr h SER 946 CO -0.53 0.00 -0.43 0.00 -1.14 0.00 0.00 176.83 174.73 2dnr h ALA 947 N 1.77 0.77 0.00 3.77 0.00 0.28 -2.77 119.26 123.08 2dnr h ALA 947 Ca 0.18 -0.30 -0.12 0.00 0.00 0.00 0.00 54.91 54.68 2dnr h ALA 947 Cb 0.77 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 2dnr h ALA 947 CO -0.00 0.39 -0.56 -0.07 0.00 0.00 0.00 179.25 179.01 2dnr h LEU 948 N 0.00 0.00 0.00 0.00 3.38 -0.07 -3.30 115.31 115.32 2dnr h LEU 948 Ca -0.01 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.86 2dnr h LEU 948 Cb 1.24 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.98 2dnr h LEU 948 CO 0.04 0.56 -0.54 0.78 0.09 0.00 0.00 178.44 179.37 2dnr h ASN 949 N 0.00 0.00 -0.16 -0.43 2.35 -1.39 -3.32 115.58 112.62 2dnr h ASN 949 Ca -0.01 -0.66 0.05 0.00 -0.55 0.00 0.00 56.30 55.13 2dnr h ASN 949 Cb 1.42 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.78 2dnr h ASN 949 CO 0.07 1.14 0.66 1.62 -1.65 0.00 0.00 177.43 179.27 2dnr h VAL 950 N -1.00 0.05 -0.76 2.81 3.04 -1.62 0.52 116.25 119.29 2dnr h VAL 950 Ca -0.14 0.00 0.22 0.00 -1.01 0.00 0.00 66.70 65.77 2dnr h VAL 950 Cb 1.01 0.38 -0.03 0.00 -2.01 0.00 0.00 31.29 30.64 2dnr h VAL 950 CO -0.08 0.00 0.69 -0.07 -1.01 0.00 0.00 177.57 177.10 2dnr h LEU 951 N 0.00 0.00 -1.09 3.16 3.38 -1.66 0.26 115.31 119.35 2dnr h LEU 951 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2dnr h LEU 951 Cb 1.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.14 2dnr h LEU 951 CO -0.00 0.00 0.24 0.28 0.09 0.00 0.00 178.44 179.05 2dnr h SER 952 N 0.00 0.00 -0.33 -0.43 0.02 -1.16 0.51 113.55 112.16 2dnr h SER 952 Ca 0.36 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.31 2dnr h SER 952 Cb 1.74 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.28 2dnr h SER 952 CO -0.00 0.00 0.00 0.18 -1.14 0.00 0.00 176.83 175.87 2dnr n LEU 953 N -2.17 2.99 -4.66 5.07 4.77 0.90 -4.83 117.00 119.08 2dnr n LEU 953 Ca -0.01 -1.51 -0.42 0.00 -0.03 0.00 0.00 56.01 54.04 2dnr n LEU 953 Cb 0.27 -0.48 -0.03 0.00 -2.33 0.00 0.00 43.42 40.85 2dnr n LEU 953 CO 0.07 0.47 1.30 0.54 -1.33 0.00 0.00 177.39 178.44 2dnr s ASN 954 N -0.61 6.74 0.00 -1.43 2.20 0.18 -2.54 114.94 119.47 2dnr s ASN 954 Ca 0.28 2.10 0.00 0.00 -0.94 0.00 0.00 52.86 54.30 2dnr s ASN 954 Cb 0.19 -2.53 0.00 0.00 -2.00 0.00 0.00 41.25 36.90 2dnr s ASN 954 CO 0.12 -0.89 0.00 0.61 -2.94 0.00 0.00 177.10 174.00 2dnr n GLY 955 N 4.00 2.86 2.90 0.45 0.00 -0.25 -4.90 105.19 110.26 2dnr n GLY 955 Ca 0.16 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.68 2dnr n GLY 955 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2dnr n LYS 956 N -0.81 0.00 -3.41 1.61 0.00 -1.05 -3.91 118.16 110.58 2dnr n LYS 956 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 58.31 57.93 2dnr n LYS 956 Cb 0.00 -1.22 -0.08 0.00 0.00 0.00 0.00 35.03 33.74 2dnr n LYS 956 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 2dnr s GLU 957 N 0.77 4.17 0.04 1.64 2.12 -1.26 -2.50 118.70 123.69 2dnr s GLU 957 Ca 0.77 0.17 0.01 0.00 0.36 0.00 0.00 54.97 56.28 2dnr s GLU 957 Cb -1.09 -3.53 -0.03 0.00 0.26 0.00 0.00 34.13 29.74 2dnr s GLU 957 CO 0.53 -0.02 -0.05 -1.17 -0.54 0.00 0.00 175.26 174.01 2dnr s LEU 958 N 1.24 2.34 -1.57 2.70 2.96 -1.15 -4.87 118.68 120.33 2dnr s LEU 958 Ca 0.18 -0.70 -0.04 0.00 -0.22 0.00 0.00 54.13 53.36 2dnr s LEU 958 Cb -0.15 0.03 0.04 0.00 0.50 0.00 0.00 46.19 46.61 2dnr s LEU 958 CO 0.08 -0.37 0.18 0.18 -1.32 0.00 0.00 176.35 175.10 2dnr n LEU 959 N 0.99 -1.21 -4.18 -0.68 4.77 -1.26 0.65 117.00 116.09 2dnr n LEU 959 Ca -0.20 -1.22 -0.34 0.00 -0.03 0.00 0.00 56.01 54.23 2dnr n LEU 959 Cb 0.57 -1.73 -0.03 0.00 -2.33 0.00 0.00 43.42 39.90 2dnr n LEU 959 CO 0.23 0.41 -0.10 -0.46 -1.33 0.00 0.00 177.39 176.14 2dnr n ASN 960 N -2.85 -2.35 -3.37 -1.43 0.23 -1.26 -4.93 115.26 99.31 2dnr n ASN 960 Ca -0.26 -1.03 -0.12 0.00 -0.53 0.00 0.00 54.58 52.64 2dnr n ASN 960 Cb 0.66 -2.73 -0.09 0.00 -2.08 0.00 0.00 39.78 35.55 2dnr n ASN 960 CO 0.00 0.00 0.00 -0.13 -0.93 0.00 0.00 177.26 176.20 2dnr s ARG 961 N -6.88 0.34 0.06 -3.83 0.52 0.21 -5.04 118.95 104.33 2dnr s ARG 961 Ca 0.54 0.23 -0.31 0.00 -0.52 0.00 0.00 55.73 55.67 2dnr s ARG 961 Cb -0.29 -0.58 -0.10 0.00 0.52 0.00 0.00 34.95 34.50 2dnr s ARG 961 CO 0.93 -0.83 1.91 2.41 0.02 0.00 0.00 175.30 179.74 2dnr n THR 962 N 5.34 0.60 -4.29 0.02 -1.04 -1.25 -2.91 114.28 110.74 2dnr n THR 962 Ca -0.02 -0.11 -0.34 0.00 -2.04 0.00 0.00 64.05 61.54 2dnr n THR 962 Cb 0.49 -2.21 -0.09 0.00 -1.82 0.00 0.00 70.33 66.70 2dnr n THR 962 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 2dnr s ILE 963 N 3.73 4.35 -0.17 12.58 1.01 -1.04 -0.20 121.20 141.46 2dnr s ILE 963 Ca 0.86 -0.38 0.00 0.00 0.00 0.00 0.00 60.65 61.14 2dnr s ILE 963 Cb -0.47 -2.89 0.04 0.00 0.01 0.00 0.00 42.46 39.14 2dnr s ILE 963 CO 0.41 0.49 -0.09 -0.89 0.00 0.00 0.00 174.94 174.86 2dnr s THR 964 N -1.00 1.39 -0.09 2.92 2.01 0.11 -1.09 115.64 119.88 2dnr s THR 964 Ca 0.17 -0.73 -0.09 0.00 0.31 0.00 0.00 61.69 61.34 2dnr s THR 964 Cb -0.11 -1.46 -0.05 0.00 0.01 0.00 0.00 72.50 70.89 2dnr s THR 964 CO 0.07 0.23 0.22 -0.63 -0.69 0.00 0.00 174.62 173.82 2dnr s ILE 965 N 1.53 5.37 -0.14 1.82 1.01 -1.26 -1.30 121.20 128.22 2dnr s ILE 965 Ca 0.01 0.39 -0.07 0.00 0.00 0.00 0.00 60.65 60.99 2dnr s ILE 965 Cb -0.15 -3.50 0.06 0.00 0.01 0.00 0.00 42.46 38.88 2dnr s ILE 965 CO -0.09 0.59 0.32 0.00 0.00 0.00 0.00 174.94 175.77 2dnr s ALA 966 N -0.94 -0.77 0.76 9.38 0.00 -0.21 -4.84 121.76 125.14 2dnr s ALA 966 Ca 0.17 1.21 -0.13 0.00 0.00 0.00 0.00 51.96 53.22 2dnr s ALA 966 Cb -0.13 -0.83 0.06 0.00 0.00 0.00 0.00 23.12 22.21 2dnr s ALA 966 CO 0.06 -0.31 1.13 -0.51 0.00 0.00 0.00 175.76 176.13 2dnr s LEU 967 N 1.55 3.15 -0.53 0.00 1.43 -1.26 0.07 118.68 123.09 2dnr s LEU 967 Ca -0.08 2.05 -0.17 0.00 -1.03 0.00 0.00 54.13 54.90 2dnr s LEU 967 Cb -0.10 -4.55 0.09 0.00 0.03 0.00 0.00 46.19 41.66 2dnr s LEU 967 CO -0.10 -2.18 0.54 -0.75 0.23 0.00 0.00 176.35 174.08 2dnr s LYS 968 N -4.43 3.02 -0.42 1.70 2.47 -1.18 -4.77 119.74 116.13 2dnr s LYS 968 Ca 0.66 -1.37 0.02 0.00 -1.56 0.00 0.00 55.97 53.73 2dnr s LYS 968 Cb -0.21 -4.21 0.12 0.00 -1.46 0.00 0.00 37.83 32.07 2dnr s LYS 968 CO 0.50 -1.27 0.19 -1.54 0.16 0.00 0.00 175.35 173.40 2dnr s SER 969 N 3.14 3.99 0.24 1.43 1.04 -1.26 -4.93 113.70 117.35 2dnr s SER 969 Ca 0.07 -2.45 -0.12 0.00 0.48 0.00 0.00 55.95 53.93 2dnr s SER 969 Cb -0.25 -1.19 0.32 0.00 0.10 0.00 0.00 66.02 65.00 2dnr s SER 969 CO 0.06 -0.30 1.59 -0.65 0.98 0.00 0.00 173.24 174.93 2dnr h PRO 970 N 7.06 -0.01 -6.34 4.02 0.11 -2.03 -3.38 132.00 131.43 2dnr h PRO 970 Ca -0.05 0.00 -0.55 0.00 0.11 0.00 0.00 66.00 65.51 2dnr h PRO 970 Cb 0.95 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.05 2dnr h PRO 970 CO 0.52 -0.01 0.85 0.45 -0.21 0.00 0.00 178.00 179.60 2dnr s SER 971 N -5.24 6.86 -0.40 -2.05 0.15 -1.26 -4.99 113.70 106.77 2dnr s SER 971 Ca -0.15 2.05 0.02 0.00 0.70 0.00 0.00 55.95 58.58 2dnr s SER 971 Cb 0.22 -2.56 0.12 0.00 -1.71 0.00 0.00 66.02 62.09 2dnr s SER 971 CO 0.75 -0.73 0.15 -0.83 1.20 0.00 0.00 173.24 173.79 2dnr s GLY 972 N 1.97 1.81 0.20 9.45 0.00 -1.26 -5.11 107.32 114.38 2dnr s GLY 972 Ca 0.63 -2.53 -0.30 0.00 0.00 0.00 0.00 44.72 42.52 2dnr s GLY 972 CO 0.25 1.25 1.07 2.56 0.00 0.00 0.00 173.10 178.22 2dnr s PRO 973 N 0.65 4.65 -0.58 2.90 0.04 -1.26 -5.01 135.00 136.39 2dnr s PRO 973 Ca 0.14 1.68 -0.18 0.00 0.04 0.00 0.00 61.00 62.68 2dnr s PRO 973 Cb -0.22 -3.27 0.11 0.00 0.04 0.00 0.00 34.50 31.17 2dnr s PRO 973 CO -0.08 0.17 0.64 -1.12 0.04 0.00 0.00 177.00 176.65 2dnr s SER 974 N -0.39 6.20 -1.08 6.66 0.01 -1.26 -4.99 113.70 118.85 2dnr s SER 974 Ca 0.47 -1.58 -0.23 0.00 1.31 0.00 0.00 55.95 55.91 2dnr s SER 974 Cb -0.29 -2.27 -0.08 0.00 0.21 0.00 0.00 66.02 63.59 2dnr s SER 974 CO 0.35 -1.02 1.95 -0.55 0.41 0.00 0.00 173.24 174.38 2dnr s SER 975 N 3.60 5.03 0.00 2.44 0.15 -1.26 -5.38 113.70 118.28 2dnr s SER 975 Ca 0.09 -1.31 0.00 0.00 0.70 0.00 0.00 55.95 55.43 2dnr s SER 975 Cb -0.26 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.47 2dnr s SER 975 CO 0.05 -3.00 0.00 0.61 1.20 0.00 0.00 173.24 172.09