#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gm1 s GLN 868 N 0.00 2.37 0.21 0.38 0.00 -1.26 -5.02 119.66 116.34 3gm1 s GLN 868 Ca 0.00 -0.26 -0.30 0.00 -0.00 0.00 0.00 55.36 54.81 3gm1 s GLN 868 Cb 0.00 -2.22 -0.16 0.00 0.00 0.00 0.00 33.01 30.63 3gm1 s GLN 868 CO 0.00 -1.08 0.81 -2.30 0.00 0.00 0.00 175.29 172.71 3gm1 n PRO 869 N -2.80 0.58 -2.61 9.60 -0.02 -1.26 -4.95 135.00 133.54 3gm1 n PRO 869 Ca 0.07 0.20 -0.36 0.00 -2.02 0.00 0.00 63.50 61.40 3gm1 n PRO 869 Cb 0.60 -1.43 -0.05 0.00 -0.02 0.00 0.00 33.50 32.60 3gm1 n PRO 869 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3gm1 s THR 870 N -0.82 3.88 0.35 3.45 -4.23 -1.26 -4.99 115.64 112.01 3gm1 s THR 870 Ca 0.66 1.40 -0.27 0.00 -1.18 0.00 0.00 61.69 62.30 3gm1 s THR 870 Cb -0.88 -3.70 -0.12 0.00 1.34 0.00 0.00 72.50 69.14 3gm1 s THR 870 CO 0.57 -0.03 1.13 0.00 -0.54 0.00 0.00 174.62 175.75 3gm1 n ALA 871 N -0.11 0.55 -3.11 3.99 0.00 -1.26 -4.94 120.51 115.62 3gm1 n ALA 871 Ca 0.05 0.33 -0.45 0.00 0.00 0.00 0.00 53.44 53.38 3gm1 n ALA 871 Cb 0.50 -2.14 -0.04 0.00 0.00 0.00 0.00 19.45 17.77 3gm1 n ALA 871 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3gm1 s ASN 872 N -0.51 6.24 0.31 0.00 -0.87 -1.26 -5.02 114.94 113.83 3gm1 s ASN 872 Ca 0.59 -1.54 0.03 0.00 -1.57 0.00 0.00 52.86 50.37 3gm1 s ASN 872 Cb -0.60 -2.30 -0.01 0.00 -0.02 0.00 0.00 41.25 38.31 3gm1 s ASN 872 CO 0.60 -1.08 0.12 0.18 -2.57 0.00 0.00 177.10 174.35 3gm1 n LEU 873 N 6.22 0.00 -4.69 0.60 4.77 -1.26 -4.38 117.00 118.26 3gm1 n LEU 873 Ca -0.06 -2.42 -0.42 0.00 -0.03 0.00 0.00 56.01 53.07 3gm1 n LEU 873 Cb 0.43 0.84 -0.03 0.00 -2.33 0.00 0.00 43.42 42.33 3gm1 n LEU 873 CO 0.57 -0.38 0.91 -0.62 -1.33 0.00 0.00 177.39 176.54 3gm1 s ASP 874 N -2.93 7.11 -0.05 -1.43 -1.08 0.10 -3.94 116.67 114.45 3gm1 s ASP 874 Ca 0.17 1.74 0.07 0.00 -0.52 0.00 0.00 52.55 54.01 3gm1 s ASP 874 Cb 0.01 -2.56 0.12 0.00 -1.46 0.00 0.00 42.92 39.03 3gm1 s ASP 874 CO 0.12 -0.55 1.07 0.54 0.52 0.00 0.00 175.17 176.88 3gm1 n ARG 875 N 5.14 2.45 -0.01 4.34 5.12 -1.26 -4.59 116.66 127.86 3gm1 n ARG 875 Ca 0.10 -1.90 -0.01 0.00 -1.93 0.00 0.00 57.85 54.10 3gm1 n ARG 875 Cb 0.47 -1.19 0.26 0.00 -1.16 0.00 0.00 32.46 30.83 3gm1 n ARG 875 CO 0.00 0.00 0.00 1.15 -1.93 0.00 0.00 177.63 176.85 3gm1 h THR 876 N 0.16 1.22 0.00 0.55 2.02 -2.01 -3.28 112.91 111.57 3gm1 h THR 876 Ca 0.00 -0.94 -0.15 0.00 0.77 0.00 0.00 66.41 66.09 3gm1 h THR 876 Cb 0.70 1.05 -0.32 0.00 -1.74 0.00 0.00 68.15 67.84 3gm1 h THR 876 CO 0.01 0.31 -0.94 0.47 0.37 0.00 0.00 175.52 175.74 3gm1 n ASP 877 N -4.23 1.03 -4.49 4.18 10.43 -1.26 -4.99 116.55 117.22 3gm1 n ASP 877 Ca 0.01 -2.22 -0.43 0.00 2.57 0.00 0.00 54.79 54.73 3gm1 n ASP 877 Cb 0.30 -0.32 -0.03 0.00 1.84 0.00 0.00 41.12 42.90 3gm1 n ASP 877 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 3gm1 s ASP 878 N -2.08 6.33 0.14 -2.24 -1.08 -1.24 -4.86 116.67 111.64 3gm1 s ASP 878 Ca 0.32 -1.23 -0.06 0.00 -0.52 0.00 0.00 52.55 51.07 3gm1 s ASP 878 Cb 0.36 -2.46 -0.06 0.00 -1.46 0.00 0.00 42.92 39.30 3gm1 s ASP 878 CO -0.15 -1.43 1.35 -0.07 0.52 0.00 0.00 175.17 175.39 3gm1 h LEU 879 N 11.64 0.65 -0.73 -1.34 3.38 -1.94 -2.91 115.31 124.07 3gm1 h LEU 879 Ca -0.10 -0.46 0.07 0.00 0.09 0.00 0.00 57.88 57.48 3gm1 h LEU 879 Cb 1.05 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 41.54 3gm1 h LEU 879 CO 1.22 1.23 0.41 0.58 0.09 0.00 0.00 178.44 181.97 3gm1 h VAL 880 N 0.35 0.95 0.56 1.22 2.07 -1.89 -2.05 116.25 117.46 3gm1 h VAL 880 Ca -0.06 -0.25 -0.02 0.00 0.82 0.00 0.00 66.70 67.19 3gm1 h VAL 880 Cb 1.43 0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 31.34 3gm1 h VAL 880 CO 0.15 0.13 -0.47 0.22 0.02 0.00 0.00 177.57 177.62 3gm1 h TYR 881 N 0.74 -1.29 -0.54 1.57 3.20 -1.93 -1.31 116.97 117.40 3gm1 h TYR 881 Ca 0.33 0.00 0.07 0.00 3.14 0.00 0.00 58.73 62.28 3gm1 h TYR 881 Cb 0.24 0.49 -0.06 0.00 1.54 0.00 0.00 36.73 38.94 3gm1 h TYR 881 CO -0.07 -0.66 0.21 -0.07 -1.64 0.00 0.00 178.16 175.93 3gm1 h LEU 882 N -1.01 0.23 -1.49 2.82 3.38 -1.32 0.86 115.31 118.78 3gm1 h LEU 882 Ca -0.07 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 3gm1 h LEU 882 Cb 0.86 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.63 3gm1 h LEU 882 CO -0.02 0.15 0.10 0.78 0.09 0.00 0.00 178.44 179.55 3gm1 h ASN 883 N 0.40 0.39 1.00 -0.43 -0.26 -1.28 0.16 115.58 115.56 3gm1 h ASN 883 Ca 0.26 -0.04 -0.07 0.00 -0.56 0.00 0.00 56.30 55.89 3gm1 h ASN 883 Cb 0.28 -0.10 -0.01 0.00 -1.06 0.00 0.00 38.32 37.43 3gm1 h ASN 883 CO -0.25 0.38 -0.34 0.58 -1.06 0.00 0.00 177.43 176.74 3gm1 h VAL 884 N 0.44 0.75 0.15 2.81 2.07 0.28 0.13 116.25 122.88 3gm1 h VAL 884 Ca 0.11 -1.49 -0.01 0.00 0.82 0.00 0.00 66.70 66.13 3gm1 h VAL 884 Cb 0.13 1.96 0.00 0.00 -1.52 0.00 0.00 31.29 31.86 3gm1 h VAL 884 CO -0.01 0.33 -0.07 0.24 0.02 0.00 0.00 177.57 178.08 3gm1 h MET 885 N 0.00 -0.19 -0.86 1.57 2.86 0.12 -2.68 114.93 115.75 3gm1 h MET 885 Ca -0.00 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 3gm1 h MET 885 Cb 0.93 0.04 -0.04 0.00 0.06 0.00 0.00 31.60 32.59 3gm1 h MET 885 CO 0.04 0.21 0.55 0.93 1.06 0.00 0.00 176.91 179.71 3gm1 h GLU 886 N -0.67 1.14 -0.22 1.72 5.08 -0.72 -0.10 114.58 120.80 3gm1 h GLU 886 Ca -0.02 -0.08 0.02 0.00 -1.00 0.00 0.00 59.36 58.28 3gm1 h GLU 886 Cb 0.50 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 3gm1 h GLU 886 CO 0.03 0.77 0.07 1.25 -1.00 0.00 0.00 179.01 180.13 3gm1 h LEU 887 N 1.17 0.07 -0.61 1.33 6.46 -0.80 0.65 115.31 123.59 3gm1 h LEU 887 Ca 0.31 0.02 -0.07 0.00 -0.12 0.00 0.00 57.88 58.03 3gm1 h LEU 887 Cb -0.11 0.02 -0.02 0.00 -0.73 0.00 0.00 40.66 39.81 3gm1 h LEU 887 CO -0.07 0.07 0.11 0.58 -0.62 0.00 0.00 178.44 178.52 3gm1 h VAL 888 N 0.17 1.26 -0.05 1.05 2.07 -1.10 -1.77 116.25 117.89 3gm1 h VAL 888 Ca 0.10 -0.98 0.04 0.00 0.82 0.00 0.00 66.70 66.67 3gm1 h VAL 888 Cb 0.07 0.72 -0.06 0.00 -1.52 0.00 0.00 31.29 30.51 3gm1 h VAL 888 CO -0.11 0.36 -0.35 0.08 0.02 0.00 0.00 177.57 177.57 3gm1 h ARG 889 N 0.90 -0.46 -0.94 1.57 0.11 -0.51 0.24 114.38 115.30 3gm1 h ARG 889 Ca 0.19 0.03 0.13 0.00 0.10 0.00 0.00 59.98 60.43 3gm1 h ARG 889 Cb 0.41 0.11 -0.09 0.00 1.11 0.00 0.00 29.97 31.51 3gm1 h ARG 889 CO 0.01 -0.31 0.56 0.00 0.10 0.00 0.00 179.97 180.33 3gm1 h ALA 890 N 0.22 1.43 -0.06 0.08 0.00 -0.60 0.31 119.26 120.63 3gm1 h ALA 890 Ca 0.07 0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.91 3gm1 h ALA 890 Cb 0.59 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 3gm1 h ALA 890 CO -0.32 0.10 -0.48 0.28 0.00 0.00 0.00 179.25 178.83 3gm1 h VAL 891 N 0.85 1.34 0.02 0.00 2.07 -0.77 -2.24 116.25 117.53 3gm1 h VAL 891 Ca 0.49 -1.69 -0.00 0.00 0.82 0.00 0.00 66.70 66.32 3gm1 h VAL 891 Cb 0.57 1.84 0.00 0.00 -1.52 0.00 0.00 31.29 32.18 3gm1 h VAL 891 CO -0.30 0.50 -0.01 -0.07 0.02 0.00 0.00 177.57 177.70 3gm1 h LEU 892 N 0.12 -0.03 -0.76 2.57 3.38 0.29 -1.71 115.31 119.17 3gm1 h LEU 892 Ca 0.00 -0.48 0.16 0.00 0.09 0.00 0.00 57.88 57.65 3gm1 h LEU 892 Cb 0.90 0.01 -0.14 0.00 0.09 0.00 0.00 40.66 41.52 3gm1 h LEU 892 CO 0.07 0.48 -0.11 -0.08 0.09 0.00 0.00 178.44 178.89 3gm1 h GLU 893 N -0.54 0.04 -0.06 1.13 4.81 -0.69 -1.51 114.58 117.76 3gm1 h GLU 893 Ca -0.00 -0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.22 3gm1 h GLU 893 Cb 0.51 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.88 3gm1 h GLU 893 CO 0.01 0.02 0.04 1.25 -0.73 0.00 0.00 179.01 179.59 3gm1 h LEU 894 N 0.04 0.07 -1.91 1.64 6.46 -1.39 -1.92 115.31 118.29 3gm1 h LEU 894 Ca 0.39 -0.03 0.00 0.00 -0.12 0.00 0.00 57.88 58.12 3gm1 h LEU 894 Cb 0.65 -0.02 0.00 0.00 -0.73 0.00 0.00 40.66 40.56 3gm1 h LEU 894 CO -0.74 0.08 0.00 0.29 -0.62 0.00 0.00 178.44 177.45 3gm1 n LYS 895 N -5.03 0.60 0.00 1.25 5.02 -0.57 -2.57 118.16 116.86 3gm1 n LYS 895 Ca -0.06 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.23 3gm1 n LYS 895 Cb 0.04 -1.21 0.00 0.00 -0.02 0.00 0.00 35.03 33.84 3gm1 n LYS 895 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 3gm1 n ASN 896 N 0.66 0.00 -0.75 4.39 0.23 -1.21 -4.87 115.26 113.71 3gm1 n ASN 896 Ca 0.00 0.00 0.12 0.00 -0.53 0.00 0.00 54.58 54.17 3gm1 n ASN 896 Cb 0.29 0.00 0.16 0.00 -2.08 0.00 0.00 39.78 38.14 3gm1 n ASN 896 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 3gm1 n GLU 897 N 0.00 1.91 -0.06 -3.83 -0.58 -0.72 -4.55 120.64 112.81 3gm1 n GLU 897 Ca 0.00 -1.51 -0.15 0.00 -0.42 0.00 0.00 57.16 55.08 3gm1 n GLU 897 Cb 0.00 -1.47 -0.06 0.00 -0.57 0.00 0.00 31.44 29.34 3gm1 n GLU 897 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 3gm1 h LEU 898 N 3.69 0.77 -0.94 -4.62 5.85 -1.73 -2.72 115.31 115.62 3gm1 h LEU 898 Ca 0.00 -0.55 -0.02 0.00 0.84 0.00 0.00 57.88 58.15 3gm1 h LEU 898 Cb 0.85 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.61 3gm1 h LEU 898 CO 0.00 1.18 0.48 0.00 -0.34 0.00 0.00 178.44 179.77 3gm1 h ALA 899 N 0.61 1.19 0.00 1.25 0.00 -1.88 -3.11 119.26 117.33 3gm1 h ALA 899 Ca 0.01 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 3gm1 h ALA 899 Cb 1.06 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 3gm1 h ALA 899 CO 0.10 0.66 -0.52 1.96 0.00 0.00 0.00 179.25 181.44 3gm1 h GLN 900 N 1.24 0.00 -6.99 0.00 7.50 -1.85 -3.48 115.11 111.53 3gm1 h GLN 900 Ca 0.31 0.00 -0.46 0.00 0.50 0.00 0.00 58.65 59.00 3gm1 h GLN 900 Cb 0.03 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 27.55 3gm1 h GLN 900 CO -0.05 0.19 0.36 -0.51 -1.50 0.00 0.00 178.83 177.32 3gm1 s LEU 901 N -6.06 4.08 0.52 1.46 1.43 -1.03 -5.07 118.68 114.01 3gm1 s LEU 901 Ca 0.03 1.84 -0.16 0.00 -1.03 0.00 0.00 54.13 54.81 3gm1 s LEU 901 Cb 0.07 -4.33 -0.07 0.00 0.03 0.00 0.00 46.19 41.89 3gm1 s LEU 901 CO 0.73 -0.37 0.99 -2.16 0.23 0.00 0.00 176.35 175.78 3gm1 s PRO 902 N -2.74 3.89 0.46 1.29 0.04 -1.26 -4.90 135.00 131.78 3gm1 s PRO 902 Ca 0.59 0.97 0.39 0.00 0.04 0.00 0.00 61.00 62.99 3gm1 s PRO 902 Cb -0.15 -2.13 1.50 0.00 0.04 0.00 0.00 34.50 33.76 3gm1 s PRO 902 CO 0.20 -0.32 1.45 -2.30 0.04 0.00 0.00 177.00 176.06 3gm1 n PRO 903 N -1.64 -0.02 0.18 0.56 -0.01 -1.26 0.11 135.00 132.93 3gm1 n PRO 903 Ca 0.07 1.08 0.10 0.00 -0.01 0.00 0.00 63.50 64.73 3gm1 n PRO 903 Cb 0.54 -2.31 0.11 0.00 -0.01 0.00 0.00 33.50 31.83 3gm1 n PRO 903 CO 0.00 0.00 0.00 1.05 -0.01 0.00 0.00 175.50 176.54 3gm1 h GLU 904 N 0.00 0.00 -0.28 -0.52 9.09 -1.93 -3.19 114.58 117.75 3gm1 h GLU 904 Ca 0.85 0.00 -0.09 0.00 0.05 0.00 0.00 59.36 60.17 3gm1 h GLU 904 Cb 3.09 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 30.18 3gm1 h GLU 904 CO -0.21 0.12 -0.19 0.78 0.05 0.00 0.00 179.01 179.55 3gm1 h GLY 905 N 3.88 0.55 0.15 1.06 0.00 0.47 -3.32 103.07 105.86 3gm1 h GLY 905 Ca -0.01 -0.42 0.21 0.00 0.00 0.00 0.00 47.33 47.11 3gm1 h GLY 905 CO 0.02 0.38 0.62 -0.97 0.00 0.00 0.00 176.54 176.59 3gm1 h TYR 906 N 0.46 0.81 -0.67 5.60 0.99 -1.51 -0.25 116.97 122.40 3gm1 h TYR 906 Ca 0.08 0.03 0.05 0.00 2.00 0.00 0.00 58.73 60.88 3gm1 h TYR 906 Cb 0.59 -0.25 -0.04 0.00 1.00 0.00 0.00 36.73 38.04 3gm1 h TYR 906 CO 0.02 0.18 0.44 0.28 -0.00 0.00 0.00 178.16 179.08 3gm1 h VAL 907 N 0.58 1.05 0.24 -2.88 2.07 -1.77 -2.29 116.25 113.25 3gm1 h VAL 907 Ca 0.54 -0.25 -0.01 0.00 0.82 0.00 0.00 66.70 67.80 3gm1 h VAL 907 Cb 1.09 0.25 0.00 0.00 -1.52 0.00 0.00 31.29 31.11 3gm1 h VAL 907 CO -0.29 0.14 -0.11 0.58 0.02 0.00 0.00 177.57 177.90 3gm1 h VAL 908 N 0.74 0.57 -0.84 2.57 2.07 -1.26 0.74 116.25 120.85 3gm1 h VAL 908 Ca 0.28 -0.94 0.08 0.00 0.82 0.00 0.00 66.70 66.94 3gm1 h VAL 908 Cb 0.17 0.95 -0.07 0.00 -1.52 0.00 0.00 31.29 30.82 3gm1 h VAL 908 CO -0.08 0.15 0.50 -0.37 0.02 0.00 0.00 177.57 177.78 3gm1 h VAL 909 N -0.94 0.95 -0.36 2.57 -1.51 -1.56 0.34 116.25 115.73 3gm1 h VAL 909 Ca -0.03 -0.29 -0.15 0.00 -1.23 0.00 0.00 66.70 64.99 3gm1 h VAL 909 Cb 0.48 0.02 -0.01 0.00 -2.13 0.00 0.00 31.29 29.66 3gm1 h VAL 909 CO 0.05 0.16 -0.37 0.58 -1.23 0.00 0.00 177.57 176.76 3gm1 h VAL 910 N 0.86 1.28 -1.00 7.19 2.07 -1.46 -2.70 116.25 122.49 3gm1 h VAL 910 Ca 0.39 -1.55 0.05 0.00 0.82 0.00 0.00 66.70 66.42 3gm1 h VAL 910 Cb 0.31 1.39 -0.06 0.00 -1.52 0.00 0.00 31.29 31.40 3gm1 h VAL 910 CO -0.22 0.51 0.65 0.50 0.02 0.00 0.00 177.57 179.03 3gm1 h LYS 911 N 0.71 1.17 -0.06 1.57 3.64 0.27 -0.21 116.57 123.66 3gm1 h LYS 911 Ca 0.06 -0.07 0.03 0.00 -1.27 0.00 0.00 60.65 59.40 3gm1 h LYS 911 Cb 0.95 -0.26 -0.03 0.00 -0.41 0.00 0.00 32.23 32.48 3gm1 h LYS 911 CO 0.09 0.78 -0.09 -0.97 -2.27 0.00 0.00 179.45 176.98 3gm1 h ASN 912 N 1.21 -0.28 -0.63 4.20 -1.24 -0.67 -0.31 115.58 117.86 3gm1 h ASN 912 Ca 0.41 0.05 0.03 0.00 0.71 0.00 0.00 56.30 57.51 3gm1 h ASN 912 Cb 0.09 0.13 -0.04 0.00 0.73 0.00 0.00 38.32 39.23 3gm1 h ASN 912 CO -0.15 -0.13 0.39 0.58 -1.29 0.00 0.00 177.43 176.83 3gm1 h VAL 913 N -0.13 1.07 -0.48 2.57 2.07 -1.16 -2.62 116.25 117.57 3gm1 h VAL 913 Ca 0.06 -0.26 -0.03 0.00 0.82 0.00 0.00 66.70 67.29 3gm1 h VAL 913 Cb 0.21 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 30.20 3gm1 h VAL 913 CO -0.14 0.14 0.18 1.23 0.02 0.00 0.00 177.57 179.00 3gm1 h GLY 914 N 0.76 0.79 0.69 2.17 0.00 -0.23 -0.99 103.07 106.26 3gm1 h GLY 914 Ca 0.26 -0.44 -0.04 0.00 0.00 0.00 0.00 47.33 47.10 3gm1 h GLY 914 CO -0.11 0.41 -0.10 1.41 0.00 0.00 0.00 176.54 178.16 3gm1 h LEU 915 N 0.64 0.28 -0.80 3.11 3.38 -1.07 -1.97 115.31 118.88 3gm1 h LEU 915 Ca 0.16 -0.47 0.10 0.00 0.09 0.00 0.00 57.88 57.76 3gm1 h LEU 915 Cb 0.22 -0.08 -0.08 0.00 0.09 0.00 0.00 40.66 40.81 3gm1 h LEU 915 CO -0.01 0.70 0.44 0.00 0.09 0.00 0.00 178.44 179.65 3gm1 h THR 916 N -0.13 0.86 -0.23 0.22 1.03 -1.41 0.15 112.91 113.40 3gm1 h THR 916 Ca 0.02 -0.25 -0.01 0.00 -0.01 0.00 0.00 66.41 66.16 3gm1 h THR 916 Cb 0.61 0.08 -0.01 0.00 -1.07 0.00 0.00 68.15 67.76 3gm1 h THR 916 CO 0.03 0.13 0.11 0.25 -0.01 0.00 0.00 175.52 176.03 3gm1 h LEU 917 N 0.72 0.30 -0.27 0.00 5.85 -1.05 -2.05 115.31 118.80 3gm1 h LEU 917 Ca 0.40 -0.12 0.06 0.00 0.84 0.00 0.00 57.88 59.06 3gm1 h LEU 917 Cb 0.41 -0.08 -0.06 0.00 0.37 0.00 0.00 40.66 41.31 3gm1 h LEU 917 CO -0.27 0.33 -0.12 -0.09 -0.34 0.00 0.00 178.44 177.95 3gm1 h ARG 918 N 0.24 -0.08 -0.61 1.25 2.43 -0.62 0.40 114.38 117.39 3gm1 h ARG 918 Ca 0.08 0.01 0.12 0.00 -0.81 0.00 0.00 59.98 59.37 3gm1 h ARG 918 Cb 0.11 0.02 -0.12 0.00 -0.42 0.00 0.00 29.97 29.56 3gm1 h ARG 918 CO -0.01 -0.05 -0.17 -0.22 -1.51 0.00 0.00 179.97 178.01 3gm1 h LYS 919 N -0.08 -0.02 0.76 0.20 3.64 -0.45 -1.23 116.57 119.38 3gm1 h LYS 919 Ca 0.14 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.49 3gm1 h LYS 919 Cb 0.30 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.13 3gm1 h LYS 919 CO -0.33 -0.01 -0.36 1.25 -2.27 0.00 0.00 179.45 177.73 3gm1 h LEU 920 N -0.02 -0.86 -0.93 5.20 6.46 -0.63 -1.20 115.31 123.32 3gm1 h LEU 920 Ca 0.29 0.01 0.27 0.00 -0.12 0.00 0.00 57.88 58.33 3gm1 h LEU 920 Cb 0.46 0.22 -0.14 0.00 -0.73 0.00 0.00 40.66 40.47 3gm1 h LEU 920 CO -0.64 -0.55 0.38 0.40 -0.62 0.00 0.00 178.44 177.42 3gm1 h ILE 921 N -1.13 0.33 -0.01 4.05 1.08 -0.68 0.16 117.51 121.31 3gm1 h ILE 921 Ca -0.10 -0.10 -0.00 0.00 -0.39 0.00 0.00 64.86 64.27 3gm1 h ILE 921 Cb 0.80 0.02 -0.00 0.00 -3.07 0.00 0.00 36.82 34.57 3gm1 h ILE 921 CO 0.17 0.05 -0.00 1.23 -0.69 0.00 0.00 178.15 178.91 3gm1 h GLY 922 N 0.28 0.03 1.44 5.37 0.00 -0.93 -2.03 103.07 107.23 3gm1 h GLY 922 Ca 0.62 -0.02 -0.00 0.00 0.00 0.00 0.00 47.33 47.93 3gm1 h GLY 922 CO -0.62 0.02 0.34 1.48 0.00 0.00 0.00 176.54 177.76 3gm1 h SER 923 N -0.30 0.65 -0.27 0.19 4.64 -0.02 -1.84 113.55 116.61 3gm1 h SER 923 Ca 0.00 -0.03 -0.00 0.00 -0.47 0.00 0.00 61.79 61.29 3gm1 h SER 923 Cb 0.33 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.25 3gm1 h SER 923 CO 0.00 0.50 0.17 0.58 -0.87 0.00 0.00 176.83 177.20 3gm1 h VAL 924 N 0.76 1.09 -0.81 0.95 2.07 -0.71 -3.14 116.25 116.46 3gm1 h VAL 924 Ca 0.20 -0.21 0.10 0.00 0.82 0.00 0.00 66.70 67.61 3gm1 h VAL 924 Cb -0.04 0.75 -0.06 0.00 -1.52 0.00 0.00 31.29 30.42 3gm1 h VAL 924 CO -0.04 0.09 0.53 0.44 0.02 0.00 0.00 177.57 178.61 3gm1 h ASP 925 N 0.34 0.67 0.00 0.57 3.45 -0.58 -2.26 116.42 118.62 3gm1 h ASP 925 Ca 0.10 0.02 0.00 0.00 0.43 0.00 0.00 57.03 57.58 3gm1 h ASP 925 Cb 0.00 -0.12 0.00 0.00 -0.56 0.00 0.00 39.33 38.66 3gm1 h ASP 925 CO -0.02 0.39 0.00 0.47 -1.57 0.00 0.00 179.24 178.51 3gm1 n ASP 926 N -4.51 4.06 0.00 6.45 9.92 -1.03 -3.03 116.55 128.40 3gm1 n ASP 926 Ca 0.14 -2.12 0.00 0.00 -0.53 0.00 0.00 54.79 52.28 3gm1 n ASP 926 Cb 0.34 -0.81 0.00 0.00 -0.64 0.00 0.00 41.12 40.02 3gm1 n ASP 926 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 3gm1 n LEU 927 N 1.13 0.00 -0.33 0.64 4.77 -0.87 -4.91 117.00 117.43 3gm1 n LEU 927 Ca 0.00 0.00 0.10 0.00 -0.03 0.00 0.00 56.01 56.08 3gm1 n LEU 927 Cb 0.46 0.00 0.30 0.00 -2.33 0.00 0.00 43.42 41.85 3gm1 n LEU 927 CO 0.00 0.00 1.22 -0.07 -1.33 0.00 0.00 177.39 177.21 3gm1 h LEU 928 N 0.00 0.82 -2.15 2.23 3.38 -1.43 0.23 115.31 118.39 3gm1 h LEU 928 Ca 0.00 0.05 0.03 0.00 0.09 0.00 0.00 57.88 58.05 3gm1 h LEU 928 Cb 0.00 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.64 3gm1 h LEU 928 CO 0.00 0.41 0.29 -0.65 0.09 0.00 0.00 178.44 178.58 3gm1 h PRO 929 N 0.87 0.00 -0.51 1.13 0.11 -1.91 -2.96 132.00 128.73 3gm1 h PRO 929 Ca 0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.61 3gm1 h PRO 929 Cb 0.63 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.74 3gm1 h PRO 929 CO -0.27 0.00 0.00 0.43 -0.21 0.00 0.00 178.00 177.95 3gm1 n SER 930 N -3.20 3.22 -4.19 -2.05 7.64 0.07 -4.99 113.62 110.12 3gm1 n SER 930 Ca 0.00 -1.97 -0.23 0.00 1.01 0.00 0.00 58.87 57.68 3gm1 n SER 930 Cb 0.38 -0.34 -0.14 0.00 -1.01 0.00 0.00 64.21 63.10 3gm1 n SER 930 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3gm1 s LEU 931 N -1.20 2.14 0.36 -3.43 1.43 -1.12 -4.87 118.68 111.98 3gm1 s LEU 931 Ca 0.40 -0.44 -0.25 0.00 -1.03 0.00 0.00 54.13 52.81 3gm1 s LEU 931 Cb 0.22 -0.81 -0.13 0.00 0.03 0.00 0.00 46.19 45.50 3gm1 s LEU 931 CO 0.29 0.13 0.81 -0.81 0.23 0.00 0.00 176.35 177.00 3gm1 n PRO 932 N 2.06 0.97 -0.40 1.29 -0.04 -1.26 -4.71 135.00 132.91 3gm1 n PRO 932 Ca -0.17 0.35 0.33 0.00 -0.04 0.00 0.00 63.50 63.97 3gm1 n PRO 932 Cb 0.54 -1.71 0.62 0.00 -0.04 0.00 0.00 33.50 32.91 3gm1 n PRO 932 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3gm1 h SER 933 N 1.38 0.28 0.90 3.54 0.87 -1.98 -2.42 113.55 116.12 3gm1 h SER 933 Ca -0.40 0.10 -0.04 0.00 -1.23 0.00 0.00 61.79 60.22 3gm1 h SER 933 Cb 1.37 0.07 0.01 0.00 -0.44 0.00 0.00 62.40 63.41 3gm1 h SER 933 CO 0.56 -0.07 -0.43 -1.28 -0.53 0.00 0.00 176.83 175.08 3gm1 h SER 934 N 0.18 -1.02 -0.48 6.23 0.87 -2.02 -3.00 113.55 114.30 3gm1 h SER 934 Ca 0.73 0.03 -0.08 0.00 -1.23 0.00 0.00 61.79 61.24 3gm1 h SER 934 Cb 2.24 0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 64.45 3gm1 h SER 934 CO -0.32 -0.69 0.01 0.77 -0.53 0.00 0.00 176.83 176.07 3gm1 h SER 935 N -1.29 0.87 0.00 6.23 4.64 -1.84 -2.64 113.55 119.52 3gm1 h SER 935 Ca -0.12 -0.22 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 3gm1 h SER 935 Cb 0.93 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 62.79 3gm1 h SER 935 CO 0.20 0.92 0.44 0.03 -0.87 0.00 0.00 176.83 177.56 3gm1 h ARG 936 N 0.84 0.00 0.00 4.77 3.08 -1.38 0.12 114.38 121.81 3gm1 h ARG 936 Ca 0.16 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.21 3gm1 h ARG 936 Cb 0.48 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.53 3gm1 h ARG 936 CO 0.02 0.00 -0.02 1.15 -1.07 0.00 0.00 179.97 180.06 3gm1 h THR 937 N 0.00 0.00 -0.90 2.04 2.02 -1.33 -3.05 112.91 111.70 3gm1 h THR 937 Ca 0.00 -0.37 0.24 0.00 0.77 0.00 0.00 66.41 67.06 3gm1 h THR 937 Cb 0.88 0.00 -0.14 0.00 -1.74 0.00 0.00 68.15 67.15 3gm1 h THR 937 CO 0.00 0.00 0.29 -0.08 0.37 0.00 0.00 175.52 176.10 3gm1 h GLU 938 N -0.37 0.23 0.58 6.66 4.81 -1.52 -0.80 114.58 124.18 3gm1 h GLU 938 Ca 0.00 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.20 3gm1 h GLU 938 Cb 0.02 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.33 3gm1 h GLU 938 CO 0.00 0.15 -0.45 0.82 -0.73 0.00 0.00 179.01 178.81 3gm1 h ILE 939 N 0.24 0.11 -0.05 2.32 1.08 -0.96 -2.51 117.51 117.73 3gm1 h ILE 939 Ca 0.58 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 65.06 3gm1 h ILE 939 Cb 1.18 0.11 -0.00 0.00 -3.07 0.00 0.00 36.82 35.04 3gm1 h ILE 939 CO -0.64 0.00 0.04 -0.33 -0.69 0.00 0.00 178.15 176.53 3gm1 h GLU 940 N -1.00 0.00 0.00 2.37 5.08 -1.15 0.59 114.58 120.47 3gm1 h GLU 940 Ca -0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 3gm1 h GLU 940 Cb 0.84 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.09 3gm1 h GLU 940 CO 0.01 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.43 3gm1 n GLY 941 N -1.45 -1.63 0.12 -3.84 0.00 -0.41 -2.71 105.19 95.28 3gm1 n GLY 941 Ca -0.02 -0.03 -0.21 0.00 0.00 0.00 0.00 46.02 45.76 3gm1 n GLY 941 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3gm1 h THR 942 N 0.00 1.04 -0.37 2.61 2.02 -0.44 -2.60 112.91 115.18 3gm1 h THR 942 Ca 0.00 -2.38 0.04 0.00 0.77 0.00 0.00 66.41 64.84 3gm1 h THR 942 Cb 0.66 2.70 -0.06 0.00 -1.74 0.00 0.00 68.15 69.71 3gm1 h THR 942 CO 0.00 0.68 -0.40 1.56 0.37 0.00 0.00 175.52 177.73 3gm1 h GLN 943 N -0.37 -0.22 -0.73 6.66 4.20 -1.56 0.80 115.11 123.90 3gm1 h GLN 943 Ca -0.30 0.01 0.16 0.00 0.06 0.00 0.00 58.65 58.59 3gm1 h GLN 943 Cb 1.71 0.05 -0.13 0.00 0.30 0.00 0.00 27.48 29.41 3gm1 h GLN 943 CO 0.04 -0.15 -0.03 -0.22 -0.67 0.00 0.00 178.83 177.80 3gm1 h LYS 944 N -0.23 0.08 0.10 1.46 3.64 -1.65 -1.89 116.57 118.07 3gm1 h LYS 944 Ca 0.06 -0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.43 3gm1 h LYS 944 Cb 0.39 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.19 3gm1 h LYS 944 CO -0.46 0.05 -0.05 1.25 -2.27 0.00 0.00 179.45 177.97 3gm1 h LEU 945 N 0.08 -0.11 -1.47 5.20 5.85 -0.94 -2.74 115.31 121.18 3gm1 h LEU 945 Ca 0.39 -0.09 0.22 0.00 0.84 0.00 0.00 57.88 59.24 3gm1 h LEU 945 Cb 0.66 0.03 -0.07 0.00 0.37 0.00 0.00 40.66 41.64 3gm1 h LEU 945 CO -0.66 0.02 0.63 -0.07 -0.34 0.00 0.00 178.44 178.02 3gm1 h LEU 946 N -0.23 0.42 -0.41 2.25 3.38 0.14 0.79 115.31 121.65 3gm1 h LEU 946 Ca -0.01 0.05 -0.13 0.00 0.09 0.00 0.00 57.88 57.88 3gm1 h LEU 946 Cb 0.19 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 3gm1 h LEU 946 CO 0.02 0.14 -0.26 0.78 0.09 0.00 0.00 178.44 179.21 3gm1 h ASN 947 N 0.41 0.93 -0.60 -0.43 -0.26 -1.16 -1.55 115.58 112.91 3gm1 h ASN 947 Ca 0.51 -0.43 0.10 0.00 -0.56 0.00 0.00 56.30 55.92 3gm1 h ASN 947 Cb 1.29 -0.26 -0.08 0.00 -1.06 0.00 0.00 38.32 38.21 3gm1 h ASN 947 CO -0.21 1.16 0.20 0.50 -1.06 0.00 0.00 177.43 178.02 3gm1 h LYS 948 N 0.71 0.35 -0.52 0.81 3.64 -0.61 0.11 116.57 121.06 3gm1 h LYS 948 Ca 0.08 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.43 3gm1 h LYS 948 Cb 0.84 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.55 3gm1 h LYS 948 CO 0.07 0.23 0.28 -0.44 -2.27 0.00 0.00 179.45 177.33 3gm1 h ASP 949 N 0.36 0.63 0.06 4.20 3.32 -0.26 -1.82 116.42 122.91 3gm1 h ASP 949 Ca 0.31 -0.04 -0.12 0.00 0.02 0.00 0.00 57.03 57.20 3gm1 h ASP 949 Cb 0.40 -0.16 0.01 0.00 0.22 0.00 0.00 39.33 39.81 3gm1 h ASP 949 CO -0.33 0.51 -0.50 0.25 -1.72 0.00 0.00 179.24 177.45 3gm1 h LEU 950 N 0.72 0.34 -0.72 1.55 5.85 -0.96 -2.30 115.31 119.79 3gm1 h LEU 950 Ca 0.19 -0.89 0.16 0.00 0.84 0.00 0.00 57.88 58.18 3gm1 h LEU 950 Cb 0.02 -0.11 -0.13 0.00 0.37 0.00 0.00 40.66 40.82 3gm1 h LEU 950 CO -0.03 1.20 -0.03 0.00 -0.34 0.00 0.00 178.44 179.24 3gm1 h ALA 951 N 0.15 0.69 0.62 1.25 0.00 -0.73 0.40 119.26 121.64 3gm1 h ALA 951 Ca -0.08 0.24 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 3gm1 h ALA 951 Cb 1.33 0.42 0.00 0.00 0.00 0.00 0.00 17.79 19.54 3gm1 h ALA 951 CO 0.10 -0.42 -0.33 0.93 0.00 0.00 0.00 179.25 179.53 3gm1 h GLU 952 N 0.09 -0.84 -0.78 0.00 4.39 -1.40 -1.63 114.58 114.40 3gm1 h GLU 952 Ca 0.38 0.06 0.18 0.00 0.34 0.00 0.00 59.36 60.32 3gm1 h GLU 952 Cb 0.65 0.19 -0.13 0.00 -0.10 0.00 0.00 28.75 29.36 3gm1 h GLU 952 CO -0.65 -0.56 0.08 1.25 -1.16 0.00 0.00 179.01 177.97 3gm1 h LEU 953 N -0.88 -0.21 -0.03 1.33 5.85 -0.57 0.51 115.31 121.30 3gm1 h LEU 953 Ca -0.08 0.19 -0.00 0.00 0.84 0.00 0.00 57.88 58.83 3gm1 h LEU 953 Cb 0.69 0.30 -0.00 0.00 0.37 0.00 0.00 40.66 42.02 3gm1 h LEU 953 CO 0.12 -0.15 0.01 0.40 -0.34 0.00 0.00 178.44 178.47 3gm1 h ILE 954 N 0.15 1.15 -0.54 4.05 1.08 -0.09 -0.63 117.51 122.68 3gm1 h ILE 954 Ca 0.45 -0.44 -0.04 0.00 -0.39 0.00 0.00 64.86 64.43 3gm1 h ILE 954 Cb 0.81 1.39 -0.02 0.00 -3.07 0.00 0.00 36.82 35.93 3gm1 h ILE 954 CO -0.64 0.12 0.18 -1.13 -0.69 0.00 0.00 178.15 175.99 3gm1 h ASN 955 N -0.13 0.79 0.05 1.72 -0.73 -0.29 0.98 115.58 117.96 3gm1 h ASN 955 Ca 0.01 -0.20 -0.04 0.00 1.87 0.00 0.00 56.30 57.94 3gm1 h ASN 955 Cb 0.18 -0.21 -0.01 0.00 0.27 0.00 0.00 38.32 38.56 3gm1 h ASN 955 CO -0.00 0.78 -0.10 0.11 -0.37 0.00 0.00 177.43 177.84 3gm1 h LYS 956 N 0.75 0.14 0.27 6.67 6.56 0.03 -1.31 116.57 129.68 3gm1 h LYS 956 Ca 0.18 -0.03 -0.01 0.00 -1.06 0.00 0.00 60.65 59.73 3gm1 h LYS 956 Cb 0.27 -0.02 0.00 0.00 -0.57 0.00 0.00 32.23 31.91 3gm1 h LYS 956 CO -0.01 0.26 -0.13 1.98 -2.06 0.00 0.00 179.45 179.49 3gm1 h MET 957 N 0.14 -0.35 -0.99 3.15 4.05 -0.61 -1.76 114.93 118.56 3gm1 h MET 957 Ca 0.03 0.02 0.33 0.00 -0.28 0.00 0.00 59.70 59.80 3gm1 h MET 957 Cb 0.28 0.08 -0.18 0.00 -0.80 0.00 0.00 31.60 30.98 3gm1 h MET 957 CO 0.02 -0.02 0.24 -0.09 0.23 0.00 0.00 176.91 177.29 3gm1 h ARG 958 N -0.94 0.02 0.35 0.39 9.65 -0.75 0.34 114.38 123.44 3gm1 h ARG 958 Ca -0.04 -0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 58.82 3gm1 h ARG 958 Cb 0.49 -0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.07 3gm1 h ARG 958 CO 0.06 0.01 -0.17 -0.07 2.80 0.00 0.00 179.97 182.60 3gm1 h LEU 959 N 0.02 -0.40 -1.90 3.80 4.07 -1.23 -2.89 115.31 116.77 3gm1 h LEU 959 Ca 0.70 -0.13 0.09 0.00 0.08 0.00 0.00 57.88 58.61 3gm1 h LEU 959 Cb 1.62 0.10 -0.02 0.00 1.08 0.00 0.00 40.66 43.45 3gm1 h LEU 959 CO -0.85 -0.08 0.26 0.00 -1.08 0.00 0.00 178.44 176.69 3gm1 h ALA 960 N -0.23 2.20 -0.56 1.53 0.00 -0.00 0.21 119.26 122.40 3gm1 h ALA 960 Ca -0.05 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 3gm1 h ALA 960 Cb 0.51 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 3gm1 h ALA 960 CO 0.08 -0.29 0.17 1.96 0.00 0.00 0.00 179.25 181.17 3gm1 h GLN 961 N 0.12 0.84 0.06 0.00 4.20 -0.41 -3.01 115.11 116.90 3gm1 h GLN 961 Ca 0.17 -0.16 -0.24 0.00 0.06 0.00 0.00 58.65 58.49 3gm1 h GLN 961 Cb 0.54 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.17 3gm1 h GLN 961 CO -0.02 0.73 -1.10 0.37 -0.67 0.00 0.00 178.83 178.14 3gm1 h GLN 962 N 0.82 0.13 -2.50 1.46 5.75 -0.45 -3.38 115.11 116.93 3gm1 h GLN 962 Ca 0.19 -0.21 -0.72 0.00 -0.15 0.00 0.00 58.65 57.75 3gm1 h GLN 962 Cb 0.25 0.08 -0.33 0.00 1.07 0.00 0.00 27.48 28.55 3gm1 h GLN 962 CO -0.01 1.10 0.27 0.09 -2.65 0.00 0.00 178.83 177.63 3gm1 n ASN 963 N -3.44 5.64 -4.73 -0.69 4.13 -0.28 -4.93 115.26 110.95 3gm1 n ASN 963 Ca -0.04 -3.52 -0.40 0.00 1.68 0.00 0.00 54.58 52.31 3gm1 n ASN 963 Cb 0.97 -0.99 -0.05 0.00 -1.54 0.00 0.00 39.78 38.17 3gm1 n ASN 963 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3gm1 s ALA 964 N -3.11 3.37 0.00 5.41 0.00 -1.25 -4.14 121.76 122.05 3gm1 s ALA 964 Ca 0.37 0.16 0.00 0.00 0.00 0.00 0.00 51.96 52.49 3gm1 s ALA 964 Cb 0.13 -2.93 0.00 0.00 0.00 0.00 0.00 23.12 20.33 3gm1 s ALA 964 CO -0.00 -0.00 0.00 0.28 0.00 0.00 0.00 175.76 176.04 3gm1 n VAL 965 N 3.29 0.00 -2.04 0.00 0.31 -1.26 -5.00 118.33 113.63 3gm1 n VAL 965 Ca -0.03 0.00 -0.19 0.00 -0.01 0.00 0.00 64.34 64.11 3gm1 n VAL 965 Cb 0.51 -0.34 0.12 0.00 -0.91 0.00 0.00 33.84 33.22 3gm1 n VAL 965 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 3gm1 n THR 966 N -2.01 0.00 0.41 2.52 -2.24 -1.26 -4.97 114.28 106.72 3gm1 n THR 966 Ca 0.00 -0.90 -0.16 0.00 -2.27 0.00 0.00 64.05 60.72 3gm1 n THR 966 Cb 0.01 -1.37 -0.08 0.00 -2.10 0.00 0.00 70.33 66.79 3gm1 n THR 966 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 3gm1 h SER 967 N -0.90 -0.89 -0.10 3.42 4.64 -1.94 -2.89 113.55 114.90 3gm1 h SER 967 Ca -0.28 0.03 -0.03 0.00 -0.47 0.00 0.00 61.79 61.04 3gm1 h SER 967 Cb 0.87 0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 63.18 3gm1 h SER 967 CO 0.24 -0.63 0.04 0.00 -0.87 0.00 0.00 176.83 175.60 3gm1 n LEU 968 N -4.81 2.39 -0.15 5.97 -0.00 -1.26 -4.18 117.00 114.96 3gm1 n LEU 968 Ca -0.13 -1.21 -0.07 0.00 -0.00 0.00 0.00 56.01 54.60 3gm1 n LEU 968 Cb 0.41 -0.53 0.02 0.00 -0.00 0.00 0.00 43.42 43.32 3gm1 n LEU 968 CO 0.31 0.41 1.05 -1.28 -0.00 0.00 0.00 177.39 177.89 3gm1 h SER 969 N 0.36 0.49 1.98 1.45 0.87 -1.66 -2.64 113.55 114.38 3gm1 h SER 969 Ca 0.03 -0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.59 3gm1 h SER 969 Cb 0.92 -0.11 -0.00 0.00 -0.44 0.00 0.00 62.40 62.77 3gm1 h SER 969 CO 0.10 0.35 -0.02 -0.08 -0.53 0.00 0.00 176.83 176.64 3gm1 h GLU 970 N 0.59 0.00 0.09 2.24 4.57 -1.81 -3.25 114.58 117.00 3gm1 h GLU 970 Ca 0.18 0.00 -0.28 0.00 -1.18 0.00 0.00 59.36 58.08 3gm1 h GLU 970 Cb -0.02 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.55 3gm1 h GLU 970 CO -0.06 0.01 -1.40 1.49 -1.18 0.00 0.00 179.01 177.87 3gm1 h GLU 971 N 0.00 0.18 -0.11 1.92 4.22 -1.83 -3.22 114.58 115.74 3gm1 h GLU 971 Ca -0.00 -0.31 -0.03 0.00 0.08 0.00 0.00 59.36 59.10 3gm1 h GLU 971 Cb 1.01 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.37 3gm1 h GLU 971 CO 0.00 1.05 -0.06 0.00 -2.18 0.00 0.00 179.01 177.82 3gm1 h LYS 973 N 0.16 0.48 0.00 0.00 1.57 -1.64 -2.74 116.57 114.41 3gm1 h LYS 973 Ca 0.04 -0.44 -0.09 0.00 -1.87 0.00 0.00 60.65 58.29 3gm1 h LYS 973 Cb 0.21 0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.62 3gm1 h LYS 973 CO 0.01 1.08 -0.42 0.00 -0.57 0.00 0.00 179.45 179.55 3gm1 h ARG 974 N 0.30 0.00 -0.23 3.15 3.08 -1.47 -2.38 114.38 116.83 3gm1 h ARG 974 Ca -0.06 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 59.81 3gm1 h ARG 974 Cb 1.45 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.50 3gm1 h ARG 974 CO 0.15 0.42 -0.59 1.96 -1.07 0.00 0.00 179.97 180.84 3gm1 h GLN 975 N 0.00 0.76 -0.46 0.04 1.08 -1.36 -0.49 115.11 114.68 3gm1 h GLN 975 Ca -0.00 -0.50 -0.02 0.00 -1.45 0.00 0.00 58.65 56.67 3gm1 h GLN 975 Cb 0.78 0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 28.25 3gm1 h GLN 975 CO 0.05 1.13 0.21 0.52 -0.95 0.00 0.00 178.83 179.80 3gm1 h MET 976 N 0.57 0.67 -0.26 1.46 2.86 -1.30 0.29 114.93 119.22 3gm1 h MET 976 Ca 0.00 -0.10 -0.01 0.00 -2.06 0.00 0.00 59.70 57.53 3gm1 h MET 976 Cb 1.18 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 32.71 3gm1 h MET 976 CO 0.12 0.57 0.13 -0.07 1.06 0.00 0.00 176.91 178.72 3gm1 h LEU 977 N 0.60 0.33 0.61 1.22 3.38 -1.38 0.11 115.31 120.18 3gm1 h LEU 977 Ca 0.16 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 3gm1 h LEU 977 Cb 0.13 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 3gm1 h LEU 977 CO -0.02 0.36 -0.51 0.74 0.09 0.00 0.00 178.44 179.10 3gm1 h THR 978 N 0.29 0.00 -0.86 0.22 2.02 -1.00 0.11 112.91 113.69 3gm1 h THR 978 Ca 0.09 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.38 3gm1 h THR 978 Cb 0.11 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 66.44 3gm1 h THR 978 CO -0.01 0.00 0.49 0.00 0.37 0.00 0.00 175.52 176.36 3gm1 h ALA 979 N -1.00 1.25 -0.25 6.16 0.00 -0.27 -0.71 119.26 124.45 3gm1 h ALA 979 Ca -0.08 0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.77 3gm1 h ALA 979 Cb 0.91 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 3gm1 h ALA 979 CO -0.01 0.06 -0.27 0.66 0.00 0.00 0.00 179.25 179.70 3gm1 h SER 980 N 0.77 0.67 -0.21 0.00 4.64 -0.97 -1.62 113.55 116.83 3gm1 h SER 980 Ca 0.43 -0.48 0.06 0.00 -0.47 0.00 0.00 61.79 61.33 3gm1 h SER 980 Cb 0.46 -0.19 -0.07 0.00 -0.31 0.00 0.00 62.40 62.29 3gm1 h SER 980 CO -0.28 1.02 -0.26 -0.74 -0.87 0.00 0.00 176.83 175.69 3gm1 h HIS 981 N 0.34 -0.70 0.00 4.77 6.17 -0.12 -1.13 115.15 124.47 3gm1 h HIS 981 Ca 0.04 0.04 -0.02 0.00 0.71 0.00 0.00 60.37 61.14 3gm1 h HIS 981 Cb 0.84 0.34 -0.00 0.00 2.52 0.00 0.00 27.41 31.10 3gm1 h HIS 981 CO 0.08 -0.34 -0.08 0.00 0.71 0.00 0.00 177.93 178.29 3gm1 h THR 982 N -0.29 0.33 -0.55 6.26 1.03 -1.08 -1.59 112.91 117.02 3gm1 h THR 982 Ca 0.12 -0.51 -0.03 0.00 -0.01 0.00 0.00 66.41 65.98 3gm1 h THR 982 Cb 0.48 1.38 -0.02 0.00 -1.07 0.00 0.00 68.15 68.92 3gm1 h THR 982 CO -0.37 0.08 0.24 0.25 -0.01 0.00 0.00 175.52 175.71 3gm1 h LEU 983 N 0.00 0.75 -0.50 0.00 5.85 -0.21 -1.51 115.31 119.69 3gm1 h LEU 983 Ca -0.00 -0.16 -0.08 0.00 0.84 0.00 0.00 57.88 58.48 3gm1 h LEU 983 Cb 0.37 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.19 3gm1 h LEU 983 CO 0.01 0.70 0.00 0.00 -0.34 0.00 0.00 178.44 178.82 3gm1 h ALA 984 N 1.08 0.68 -0.05 1.25 0.00 -0.72 -1.41 119.26 120.09 3gm1 h ALA 984 Ca 0.19 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 3gm1 h ALA 984 Cb 0.17 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3gm1 h ALA 984 CO -0.02 0.49 -0.24 0.28 0.00 0.00 0.00 179.25 179.76 3gm1 h VAL 985 N 0.75 1.20 0.05 0.00 2.07 -1.25 -0.89 116.25 118.18 3gm1 h VAL 985 Ca 0.14 -0.93 -0.24 0.00 0.82 0.00 0.00 66.70 66.49 3gm1 h VAL 985 Cb 0.52 1.43 -0.02 0.00 -1.52 0.00 0.00 31.29 31.70 3gm1 h VAL 985 CO 0.03 0.27 -1.15 0.44 0.02 0.00 0.00 177.57 177.18 3gm1 h ASP 986 N 0.08 0.18 0.33 0.57 3.32 -1.02 -2.54 116.42 117.33 3gm1 h ASP 986 Ca 0.01 -0.20 -0.11 0.00 0.02 0.00 0.00 57.03 56.75 3gm1 h ASP 986 Cb 0.47 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.95 3gm1 h ASP 986 CO 0.03 1.16 -0.46 0.00 -1.72 0.00 0.00 179.24 178.25 3gm1 h ALA 987 N 0.82 1.10 0.31 3.45 0.00 -0.89 -0.47 119.26 123.58 3gm1 h ALA 987 Ca -0.08 -0.44 -0.02 0.00 0.00 0.00 0.00 54.91 54.38 3gm1 h ALA 987 Cb 1.87 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.58 3gm1 h ALA 987 CO 0.16 0.61 -0.15 -0.22 0.00 0.00 0.00 179.25 179.65 3gm1 h LYS 988 N 0.13 -0.40 -0.75 0.00 3.11 -1.16 -1.55 116.57 115.95 3gm1 h LYS 988 Ca 0.01 0.03 0.06 0.00 -2.81 0.00 0.00 60.65 57.93 3gm1 h LYS 988 Cb 0.87 0.09 -0.05 0.00 -1.00 0.00 0.00 32.23 32.14 3gm1 h LYS 988 CO 0.07 -0.19 0.49 -0.91 -2.81 0.00 0.00 179.45 176.10 3gm1 h ASN 989 N -0.53 0.71 -0.29 4.20 -0.26 -1.26 0.23 115.58 118.37 3gm1 h ASN 989 Ca -0.04 0.00 0.04 0.00 -0.56 0.00 0.00 56.30 55.73 3gm1 h ASN 989 Cb 0.39 -0.15 -0.03 0.00 -1.06 0.00 0.00 38.32 37.47 3gm1 h ASN 989 CO 0.07 0.47 0.08 0.25 -1.06 0.00 0.00 177.43 177.24 3gm1 h LEU 990 N 0.81 0.07 -0.63 1.61 5.85 -0.78 -2.07 115.31 120.17 3gm1 h LEU 990 Ca 0.32 0.04 0.03 0.00 0.84 0.00 0.00 57.88 59.11 3gm1 h LEU 990 Cb 0.22 0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.24 3gm1 h LEU 990 CO -0.11 0.08 0.39 0.25 -0.34 0.00 0.00 178.44 178.70 3gm1 h LEU 991 N 0.21 0.62 0.04 2.25 5.85 0.05 -0.91 115.31 123.41 3gm1 h LEU 991 Ca 0.13 0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.88 3gm1 h LEU 991 Cb 0.12 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 40.99 3gm1 h LEU 991 CO -0.15 0.43 -0.19 0.44 -0.34 0.00 0.00 178.44 178.62 3gm1 h ASP 992 N 0.75 -0.56 -0.52 1.25 3.32 -1.01 0.30 116.42 119.96 3gm1 h ASP 992 Ca 0.26 0.07 0.10 0.00 0.02 0.00 0.00 57.03 57.49 3gm1 h ASP 992 Cb 0.05 0.23 -0.10 0.00 0.22 0.00 0.00 39.33 39.72 3gm1 h ASP 992 CO -0.11 -0.26 -0.22 0.00 -1.72 0.00 0.00 179.24 176.92 3gm1 h ALA 993 N 0.54 0.16 -0.08 3.45 0.00 -1.08 0.35 119.26 122.60 3gm1 h ALA 993 Ca 0.05 0.18 0.01 0.00 0.00 0.00 0.00 54.91 55.14 3gm1 h ALA 993 Cb 0.39 0.56 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 3gm1 h ALA 993 CO -0.16 -0.55 0.03 0.28 0.00 0.00 0.00 179.25 178.86 3gm1 h VAL 994 N -0.10 0.98 -0.36 0.00 2.07 -0.36 -1.28 116.25 117.20 3gm1 h VAL 994 Ca 0.24 -0.02 0.07 0.00 0.82 0.00 0.00 66.70 67.81 3gm1 h VAL 994 Cb 0.48 0.91 -0.07 0.00 -1.52 0.00 0.00 31.29 31.08 3gm1 h VAL 994 CO -0.58 0.01 -0.11 0.44 0.02 0.00 0.00 177.57 177.35 3gm1 h ASP 995 N 0.07 -0.40 0.14 0.57 3.32 0.10 -0.46 116.42 119.77 3gm1 h ASP 995 Ca 0.03 0.12 -0.04 0.00 0.02 0.00 0.00 57.03 57.16 3gm1 h ASP 995 Cb 0.02 0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.81 3gm1 h ASP 995 CO -0.03 -0.14 -0.16 -0.61 -1.72 0.00 0.00 179.24 176.57 3gm1 h GLN 996 N -0.03 0.03 0.13 3.56 -0.00 0.01 -2.68 115.11 116.13 3gm1 h GLN 996 Ca 0.18 -0.01 -0.30 0.00 -0.00 0.00 0.00 58.65 58.52 3gm1 h GLN 996 Cb 0.30 -0.01 -0.00 0.00 0.00 0.00 0.00 27.48 27.77 3gm1 h GLN 996 CO -0.39 0.20 -1.49 0.00 0.00 0.00 0.00 178.83 177.15 3gm1 h ALA 997 N 1.81 0.22 0.00 3.38 0.00 -0.53 -3.17 119.26 120.97 3gm1 h ALA 997 Ca 0.01 -1.06 -0.00 0.00 0.00 0.00 0.00 54.91 53.85 3gm1 h ALA 997 Cb 0.30 0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 3gm1 h ALA 997 CO 0.02 1.09 -0.01 0.87 0.00 0.00 0.00 179.25 181.23 3gm1 h LYS 998 N 0.07 0.00 0.02 0.00 1.57 -0.78 -1.32 116.57 116.13 3gm1 h LYS 998 Ca -0.23 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.55 3gm1 h LYS 998 Cb 2.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.33 3gm1 h LYS 998 CO 0.17 0.01 -0.01 0.28 -0.57 0.00 0.00 179.45 179.33 3gm1 h VAL 999 N 0.00 1.28 -0.92 0.50 2.07 -1.53 0.14 116.25 117.78 3gm1 h VAL 999 Ca -0.00 -1.84 0.17 0.00 0.82 0.00 0.00 66.70 65.85 3gm1 h VAL 999 Cb 0.04 2.36 -0.10 0.00 -1.52 0.00 0.00 31.29 32.07 3gm1 h VAL 999 CO 0.00 0.41 0.51 -0.07 0.02 0.00 0.00 177.57 178.44 3gm1 h LEU 1000N -0.95 0.63 -3.12 2.57 3.38 -1.47 -0.09 115.31 116.26 3gm1 h LEU 1000Ca -0.00 0.10 -0.27 0.00 0.09 0.00 0.00 57.88 57.80 3gm1 h LEU 1000Cb 0.70 -0.01 -0.14 0.00 0.09 0.00 0.00 40.66 41.30 3gm1 h LEU 1000CO 0.00 0.24 0.34 0.00 0.09 0.00 0.00 178.44 179.11 3gm1 n ALA 1001N -2.39 4.37 -3.34 1.53 0.00 -0.52 -4.88 120.51 115.28 3gm1 n ALA 1001Ca 0.20 -1.44 -0.25 0.00 0.00 0.00 0.00 53.44 51.95 3gm1 n ALA 1001Cb 0.50 -1.26 -0.05 0.00 0.00 0.00 0.00 19.45 18.64 3gm1 n ALA 1001CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3gm1 n ASN 1002N -0.02 -1.18 -0.00 0.00 3.02 -0.05 -4.72 115.26 112.30 3gm1 n ASN 1002Ca 0.28 -0.66 0.05 0.00 -0.03 0.00 0.00 54.58 54.23 3gm1 n ASN 1002Cb 0.87 -1.05 -0.07 0.00 -0.61 0.00 0.00 39.78 38.91 3gm1 n ASN 1002CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 3gm1 n LEU 1003N -2.78 0.23 -4.79 3.41 7.94 0.07 -5.00 117.00 116.07 3gm1 n LEU 1003Ca 0.07 -0.23 -0.36 0.00 -1.11 0.00 0.00 56.01 54.38 3gm1 n LEU 1003Cb 0.32 0.00 -0.05 0.00 0.53 0.00 0.00 43.42 44.22 3gm1 n LEU 1003CO 0.56 0.06 0.70 0.00 -1.11 0.00 0.00 177.39 177.59 3gm1 s ALA 1004N -2.40 3.11 -0.03 1.96 0.00 0.26 -4.98 121.76 119.68 3gm1 s ALA 1004Ca -0.00 0.60 -0.05 0.00 0.00 0.00 0.00 51.96 52.51 3gm1 s ALA 1004Cb 0.07 -3.23 0.01 0.00 0.00 0.00 0.00 23.12 19.97 3gm1 s ALA 1004CO 0.44 -0.05 0.12 -1.01 0.00 0.00 0.00 175.76 175.26 3gm1 s HIS 1005N -1.73 -0.06 0.87 0.00 3.76 -1.26 -4.96 115.29 111.90 3gm1 s HIS 1005Ca 0.56 0.15 -0.11 0.00 -0.15 0.00 0.00 55.06 55.51 3gm1 s HIS 1005Cb -0.19 0.00 0.11 0.00 1.11 0.00 0.00 32.58 33.62 3gm1 s HIS 1005CO 0.24 -0.13 1.10 -1.25 -0.85 0.00 0.00 174.74 173.84 3gm1 s PRO 1006N -0.43 1.47 0.00 8.40 0.04 -1.26 0.02 135.00 143.23 3gm1 s PRO 1006Ca -0.05 1.10 0.19 0.00 0.04 0.00 0.00 61.00 62.27 3gm1 s PRO 1006Cb -0.03 -1.81 1.11 0.00 0.04 0.00 0.00 34.50 33.80 3gm1 s PRO 1006CO 0.00 -2.17 1.50 -2.30 0.04 0.00 0.00 177.00 174.07