#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kbt s THR 911 N 0.00 3.38 0.41 0.00 -4.23 -1.26 -4.93 115.64 109.01 3kbt s THR 911 Ca 0.00 -0.44 0.08 0.00 -1.18 0.00 0.00 61.69 60.15 3kbt s THR 911 Cb 0.00 -4.01 -0.03 0.00 1.34 0.00 0.00 72.50 69.80 3kbt s THR 911 CO 0.00 -0.76 0.32 -0.83 -0.54 0.00 0.00 174.62 172.81 3kbt s GLY 912 N 8.08 2.18 0.06 3.99 0.00 -1.26 -4.45 107.32 115.93 3kbt s GLY 912 Ca 0.74 -1.94 0.08 0.00 0.00 0.00 0.00 44.72 43.60 3kbt s GLY 912 CO 0.05 -1.75 -0.21 -0.11 0.00 0.00 0.00 173.10 171.08 3kbt s PHE 913 N -2.50 2.47 -0.04 1.90 -0.71 -0.24 -4.60 117.98 114.25 3kbt s PHE 913 Ca 0.46 -0.31 -0.06 0.00 -1.04 0.00 0.00 56.93 55.98 3kbt s PHE 913 Cb -0.01 -1.40 -0.03 0.00 -1.21 0.00 0.00 43.02 40.36 3kbt s PHE 913 CO 0.26 0.25 0.32 -0.07 -1.34 0.00 0.00 175.22 174.65 3kbt h LEU 914 N 4.41 -0.18 0.00 -1.99 3.38 -1.96 -0.27 115.31 118.70 3kbt h LEU 914 Ca -0.48 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.50 3kbt h LEU 914 Cb 1.16 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.95 3kbt h LEU 914 CO 0.45 0.13 -0.02 1.33 0.09 0.00 0.00 178.44 180.42 3kbt n VAL 915 N -4.02 0.00 -3.79 1.22 0.24 -1.26 -4.88 118.33 105.84 3kbt n VAL 915 Ca -0.03 -0.08 -0.06 0.00 -2.04 0.00 0.00 64.34 62.14 3kbt n VAL 915 Cb 0.08 0.91 -0.02 0.00 -1.47 0.00 0.00 33.84 33.34 3kbt n VAL 915 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 3kbt s SER 916 N -0.19 -0.25 -0.05 -1.34 1.04 -1.26 -0.07 113.70 111.58 3kbt s SER 916 Ca 0.00 -0.50 -0.29 0.00 0.48 0.00 0.00 55.95 55.64 3kbt s SER 916 Cb 0.00 0.64 0.10 0.00 0.10 0.00 0.00 66.02 66.86 3kbt s SER 916 CO 0.00 -1.17 0.88 0.72 0.98 0.00 0.00 173.24 174.65 3kbt s PHE 917 N -3.69 -0.41 0.14 5.02 -0.12 -0.49 -4.83 117.98 113.61 3kbt s PHE 917 Ca 0.11 0.47 -0.10 0.00 -0.05 0.00 0.00 56.93 57.36 3kbt s PHE 917 Cb -0.04 0.49 -0.06 0.00 -0.63 0.00 0.00 43.02 42.78 3kbt s PHE 917 CO 0.04 -0.51 0.47 -1.64 -0.05 0.00 0.00 175.22 173.54 3kbt s MET 918 N -2.26 3.81 -0.13 1.99 -1.94 -1.26 -1.68 119.30 117.82 3kbt s MET 918 Ca 0.00 0.24 -0.14 0.00 -1.71 0.00 0.00 55.69 54.09 3kbt s MET 918 Cb -0.01 -2.87 0.04 0.00 2.01 0.00 0.00 34.83 34.00 3kbt s MET 918 CO -0.03 0.47 0.38 0.54 -0.01 0.00 0.00 175.02 176.36 3kbt s VAL 919 N -1.56 0.01 0.00 -6.03 0.11 -0.93 -4.98 120.40 107.02 3kbt s VAL 919 Ca 0.39 -0.05 0.00 0.00 -2.93 0.00 0.00 61.98 59.38 3kbt s VAL 919 Cb -0.13 -0.55 0.00 0.00 -1.53 0.00 0.00 36.38 34.17 3kbt s VAL 919 CO 0.20 -0.03 0.00 -0.90 -3.33 0.00 0.00 175.10 171.04 3kbt n ASP 920 N 2.66 1.71 0.19 3.54 5.68 -1.26 -0.61 116.55 128.46 3kbt n ASP 920 Ca -0.14 -0.93 0.12 0.00 -0.50 0.00 0.00 54.79 53.34 3kbt n ASP 920 Cb 0.57 0.00 0.63 0.00 -1.14 0.00 0.00 41.12 41.18 3kbt n ASP 920 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3kbt h ALA 921 N 1.00 1.04 0.00 2.12 0.00 -1.76 0.98 119.26 122.63 3kbt h ALA 921 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3kbt h ALA 921 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3kbt h ALA 921 CO 0.00 -0.04 0.00 0.54 0.00 0.00 0.00 179.25 179.75 3kbt n ARG 922 N -2.33 0.42 -1.36 0.00 1.74 -1.26 -1.54 116.66 112.32 3kbt n ARG 922 Ca -0.02 0.00 0.18 0.00 -0.77 0.00 0.00 57.85 57.24 3kbt n ARG 922 Cb 0.09 -1.43 -0.06 0.00 -1.02 0.00 0.00 32.46 30.04 3kbt n ARG 922 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kbt n GLY 923 N -0.15 -2.26 0.00 -0.13 0.00 0.34 -4.60 105.19 98.38 3kbt n GLY 923 Ca 0.09 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 44.96 3kbt n GLY 923 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kbt n GLY 924 N -4.14 1.77 3.04 -0.02 0.00 0.13 -4.65 105.19 101.33 3kbt n GLY 924 Ca -0.01 -0.30 -0.24 0.00 0.00 0.00 0.00 46.02 45.47 3kbt n GLY 924 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3kbt s SER 925 N 0.00 1.75 -0.01 1.61 0.15 -1.26 -0.31 113.70 115.63 3kbt s SER 925 Ca 0.00 -0.29 -0.05 0.00 0.70 0.00 0.00 55.95 56.31 3kbt s SER 925 Cb 0.00 -0.69 0.00 0.00 -1.71 0.00 0.00 66.02 63.62 3kbt s SER 925 CO 0.00 0.06 0.10 -0.32 1.20 0.00 0.00 173.24 174.28 3kbt s MET 926 N 0.46 0.34 0.08 5.44 1.75 0.56 -5.01 119.30 122.92 3kbt s MET 926 Ca -0.10 -0.26 0.06 0.00 -1.25 0.00 0.00 55.69 54.13 3kbt s MET 926 Cb -0.14 0.14 -0.04 0.00 2.84 0.00 0.00 34.83 37.64 3kbt s MET 926 CO 0.03 -0.07 -0.07 1.03 -0.65 0.00 0.00 175.02 175.28 3kbt s ARG 927 N -0.94 2.29 0.05 4.11 0.52 -1.26 -0.31 118.95 123.41 3kbt s ARG 927 Ca -0.10 -0.93 -0.30 0.00 -0.52 0.00 0.00 55.73 53.87 3kbt s ARG 927 Cb -0.06 -2.39 -0.08 0.00 0.52 0.00 0.00 34.95 32.94 3kbt s ARG 927 CO 0.01 0.53 1.67 0.20 0.02 0.00 0.00 175.30 177.73 3kbt s GLY 928 N -2.07 1.54 0.38 -3.53 0.00 0.69 -1.08 107.32 103.27 3kbt s GLY 928 Ca 0.21 1.18 0.16 0.00 0.00 0.00 0.00 44.72 46.28 3kbt s GLY 928 CO 0.13 2.94 1.82 1.48 0.00 0.00 0.00 173.10 179.48 3kbt h SER 929 N 8.60 0.00 0.65 1.64 4.64 -1.29 -2.07 113.55 125.73 3kbt h SER 929 Ca -0.43 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 60.73 3kbt h SER 929 Cb 1.20 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.27 3kbt h SER 929 CO 0.93 0.36 -0.73 0.03 -0.87 0.00 0.00 176.83 176.55 3kbt h ARG 930 N 0.00 0.07 -2.60 4.77 3.08 -1.90 -3.42 114.38 114.38 3kbt h ARG 930 Ca -0.00 -0.06 -0.58 0.00 0.07 0.00 0.00 59.98 59.40 3kbt h ARG 930 Cb 0.70 0.01 -0.39 0.00 0.08 0.00 0.00 29.97 30.38 3kbt h ARG 930 CO 0.05 0.77 -0.85 -1.01 -1.07 0.00 0.00 179.97 177.86 3kbt s HIS 931 N -3.39 0.85 0.24 3.04 3.76 -0.92 -5.03 115.29 113.84 3kbt s HIS 931 Ca -0.01 -1.74 -0.08 0.00 -0.15 0.00 0.00 55.06 53.07 3kbt s HIS 931 Cb 0.12 -0.99 0.40 0.00 1.11 0.00 0.00 32.58 33.21 3kbt s HIS 931 CO 0.79 -0.82 1.65 -0.91 -0.85 0.00 0.00 174.74 174.60 3kbt h ASN 932 N 6.88 -0.26 -0.02 1.40 2.35 -1.65 0.12 115.58 124.41 3kbt h ASN 932 Ca 0.07 0.17 0.00 0.00 -0.55 0.00 0.00 56.30 56.00 3kbt h ASN 932 Cb 0.96 0.29 -0.00 0.00 0.05 0.00 0.00 38.32 39.63 3kbt h ASN 932 CO 0.29 -0.13 0.25 1.23 -1.65 0.00 0.00 177.43 177.42 3kbt h GLY 933 N 0.14 0.00 -6.88 2.83 0.00 -1.96 -3.39 103.07 93.80 3kbt h GLY 933 Ca 0.39 0.00 -0.62 0.00 0.00 0.00 0.00 47.33 47.10 3kbt h GLY 933 CO -0.60 0.00 0.36 -2.27 0.00 0.00 0.00 176.54 174.03 3kbt s LEU 934 N -5.95 4.20 -0.01 3.11 2.96 0.03 -4.44 118.68 118.58 3kbt s LEU 934 Ca -0.04 0.08 0.04 0.00 -0.22 0.00 0.00 54.13 53.99 3kbt s LEU 934 Cb 0.10 -2.98 -0.01 0.00 0.50 0.00 0.00 46.19 43.80 3kbt s LEU 934 CO 0.32 -0.83 -0.14 -0.60 -1.32 0.00 0.00 176.35 173.78 3kbt s ARG 935 N 3.20 1.15 -0.10 1.98 3.52 -0.15 -0.22 118.95 128.33 3kbt s ARG 935 Ca 0.30 -0.50 0.01 0.00 -0.13 0.00 0.00 55.73 55.41 3kbt s ARG 935 Cb -0.13 -1.11 0.02 0.00 -1.56 0.00 0.00 34.95 32.17 3kbt s ARG 935 CO 0.20 0.30 -0.13 0.08 -0.81 0.00 0.00 175.30 174.94 3kbt s VAL 936 N -0.32 1.35 -0.19 7.11 1.01 0.57 -0.24 120.40 129.70 3kbt s VAL 936 Ca 0.05 -0.55 0.01 0.00 0.00 0.00 0.00 61.98 61.49 3kbt s VAL 936 Cb -0.06 -1.25 0.03 0.00 0.00 0.00 0.00 36.38 35.10 3kbt s VAL 936 CO -0.00 0.41 -0.17 -0.69 0.00 0.00 0.00 175.10 174.65 3kbt s VAL 937 N 1.06 1.97 -0.41 2.92 1.01 0.11 -0.32 120.40 126.73 3kbt s VAL 937 Ca -0.06 -1.04 -0.02 0.00 0.00 0.00 0.00 61.98 60.87 3kbt s VAL 937 Cb -0.15 -1.87 0.11 0.00 0.00 0.00 0.00 36.38 34.48 3kbt s VAL 937 CO -0.02 0.38 0.20 -0.63 0.00 0.00 0.00 175.10 175.03 3kbt s ILE 938 N 1.29 3.17 0.53 2.22 -1.09 0.58 -1.82 121.20 126.09 3kbt s ILE 938 Ca 0.02 -2.16 -0.18 0.00 -2.23 0.00 0.00 60.65 56.10 3kbt s ILE 938 Cb -0.15 -3.19 -0.06 0.00 -1.58 0.00 0.00 42.46 37.48 3kbt s ILE 938 CO -0.11 -0.69 1.05 -2.84 -1.23 0.00 0.00 174.94 171.12 3kbt s PRO 939 N 1.03 3.61 0.16 2.79 0.02 -1.26 0.22 135.00 141.56 3kbt s PRO 939 Ca 0.09 1.29 -0.32 0.00 0.02 0.00 0.00 61.00 62.08 3kbt s PRO 939 Cb -0.22 -2.07 -0.17 0.00 0.02 0.00 0.00 34.50 32.06 3kbt s PRO 939 CO -0.05 -0.58 0.91 -2.30 -0.33 0.00 0.00 177.00 174.65 3kbt n PRO 940 N -1.42 0.53 -1.00 5.54 -0.02 -1.26 -2.40 135.00 134.97 3kbt n PRO 940 Ca 0.09 0.19 0.00 0.00 -2.02 0.00 0.00 63.50 61.76 3kbt n PRO 940 Cb 0.53 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.51 3kbt n PRO 940 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3kbt n ARG 941 N 1.33 -0.42 0.12 -0.52 1.74 -0.59 -4.84 116.66 113.48 3kbt n ARG 941 Ca 0.17 0.11 0.08 0.00 -0.77 0.00 0.00 57.85 57.43 3kbt n ARG 941 Cb 0.22 -3.42 0.03 0.00 -1.02 0.00 0.00 32.46 28.26 3kbt n ARG 941 CO 0.00 0.00 0.00 1.79 -1.52 0.00 0.00 177.63 177.90 3kbt h THR 942 N 0.00 0.27 -4.04 0.55 1.35 -1.76 -3.44 112.91 105.84 3kbt h THR 942 Ca 0.00 -1.44 -0.52 0.00 -0.55 0.00 0.00 66.41 63.90 3kbt h THR 942 Cb 0.21 1.91 -0.24 0.00 -1.73 0.00 0.00 68.15 68.30 3kbt h THR 942 CO 0.00 0.15 -0.82 0.00 -0.25 0.00 0.00 175.52 174.60 3kbt h ALA 944 N 4.58 1.00 -2.77 0.00 0.00 -1.92 -3.34 119.26 116.82 3kbt h ALA 944 Ca -0.42 -0.28 -0.24 0.00 0.00 0.00 0.00 54.91 53.96 3kbt h ALA 944 Cb 1.17 -0.05 -0.12 0.00 0.00 0.00 0.00 17.79 18.80 3kbt h ALA 944 CO 0.42 0.39 -0.38 0.00 0.00 0.00 0.00 179.25 179.68 3kbt s ALA 945 N -3.62 0.86 0.19 0.00 0.00 -1.26 -4.84 121.76 113.09 3kbt s ALA 945 Ca 0.00 -1.53 -0.33 0.00 0.00 0.00 0.00 51.96 50.11 3kbt s ALA 945 Cb 0.11 1.28 -0.13 0.00 0.00 0.00 0.00 23.12 24.37 3kbt s ALA 945 CO 0.67 -0.71 1.55 -2.30 0.00 0.00 0.00 175.76 174.97 3kbt n PRO 946 N -0.42 2.20 -4.59 0.00 -0.02 -1.26 -4.38 135.00 126.54 3kbt n PRO 946 Ca 0.02 0.79 -0.23 0.00 -2.02 0.00 0.00 63.50 62.06 3kbt n PRO 946 Cb 0.63 -2.54 -0.14 0.00 -0.02 0.00 0.00 33.50 31.43 3kbt n PRO 946 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3kbt s THR 947 N 0.66 1.32 -0.38 3.45 2.01 0.22 -4.99 115.64 117.94 3kbt s THR 947 Ca 0.75 -0.93 -0.12 0.00 0.31 0.00 0.00 61.69 61.71 3kbt s THR 947 Cb -0.65 -1.14 0.02 0.00 0.01 0.00 0.00 72.50 70.74 3kbt s THR 947 CO 0.41 0.20 0.23 -0.60 -0.69 0.00 0.00 174.62 174.16 3kbt s ARG 948 N -0.84 2.96 -0.13 4.92 3.52 -1.26 -2.20 118.95 125.92 3kbt s ARG 948 Ca 0.05 -1.00 -0.15 0.00 -0.13 0.00 0.00 55.73 54.50 3kbt s ARG 948 Cb -0.07 -3.79 -0.05 0.00 -1.56 0.00 0.00 34.95 29.48 3kbt s ARG 948 CO 0.01 -0.67 0.35 0.42 -0.81 0.00 0.00 175.30 174.60 3kbt s ILE 949 N 1.61 5.25 0.09 4.11 -1.09 -0.68 -4.13 121.20 126.35 3kbt s ILE 949 Ca 0.03 0.68 0.10 0.00 -2.23 0.00 0.00 60.65 59.24 3kbt s ILE 949 Cb -0.19 -3.68 -0.03 0.00 -1.58 0.00 0.00 42.46 36.97 3kbt s ILE 949 CO 0.08 0.40 -0.27 0.42 -1.23 0.00 0.00 174.94 174.34 3kbt s THR 950 N 0.27 2.21 -0.23 2.92 -4.23 -1.12 -1.40 115.64 114.06 3kbt s THR 950 Ca 0.20 -1.59 -0.03 0.00 -1.18 0.00 0.00 61.69 59.08 3kbt s THR 950 Cb -0.14 -1.92 0.10 0.00 1.34 0.00 0.00 72.50 71.87 3kbt s THR 950 CO 0.07 0.21 0.21 0.00 -0.54 0.00 0.00 174.62 174.57 3kbt s ARG 952 N 2.28 1.90 -0.28 0.00 0.52 0.99 -4.68 118.95 119.68 3kbt s ARG 952 Ca 0.07 -0.93 -0.09 0.00 -0.52 0.00 0.00 55.73 54.26 3kbt s ARG 952 Cb -0.15 -1.90 -0.03 0.00 0.52 0.00 0.00 34.95 33.39 3kbt s ARG 952 CO -0.19 0.51 0.14 -0.51 0.02 0.00 0.00 175.30 175.27 3kbt s LEU 953 N -0.75 3.89 -0.08 2.53 1.43 -1.26 -0.95 118.68 123.49 3kbt s LEU 953 Ca 0.10 -0.28 0.02 0.00 -1.03 0.00 0.00 54.13 52.94 3kbt s LEU 953 Cb -0.09 -2.02 -0.02 0.00 0.03 0.00 0.00 46.19 44.09 3kbt s LEU 953 CO -0.00 -0.11 -0.13 -0.69 0.23 0.00 0.00 176.35 175.65 3kbt s VAL 954 N 1.66 3.10 0.35 -1.59 1.01 0.06 -4.95 120.40 120.04 3kbt s VAL 954 Ca 0.06 -0.68 -0.28 0.00 0.00 0.00 0.00 61.98 61.08 3kbt s VAL 954 Cb -0.16 -2.25 -0.10 0.00 0.00 0.00 0.00 36.38 33.87 3kbt s VAL 954 CO 0.07 0.57 1.29 -0.54 0.00 0.00 0.00 175.10 176.49 3kbt s LYS 955 N -0.34 4.25 0.25 2.72 1.02 -1.26 -1.07 119.74 125.30 3kbt s LYS 955 Ca 0.03 2.16 -0.03 0.00 0.02 0.00 0.00 55.97 58.15 3kbt s LYS 955 Cb -0.13 -2.97 0.51 0.00 -0.52 0.00 0.00 37.83 34.73 3kbt s LYS 955 CO 0.02 -0.26 1.68 -1.00 -0.92 0.00 0.00 175.35 174.87 3kbt h PRO 956 N 3.16 0.27 0.00 -1.68 0.13 -1.94 -2.24 132.00 129.70 3kbt h PRO 956 Ca -0.49 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 3kbt h PRO 956 Cb 1.23 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.30 3kbt h PRO 956 CO 0.65 0.18 0.27 1.04 -0.23 0.00 0.00 178.00 179.90 3kbt n GLN 957 N -5.16 0.01 0.05 0.86 3.00 -1.26 -1.47 117.38 113.42 3kbt n GLN 957 Ca 0.16 0.30 0.02 0.00 -0.01 0.00 0.00 57.00 57.47 3kbt n GLN 957 Cb 0.50 -1.81 -0.06 0.00 0.00 0.00 0.00 30.24 28.87 3kbt n GLN 957 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.06 177.93 3kbt h LYS 958 N 0.00 0.00 -7.19 -1.09 1.79 -1.78 -3.47 116.57 104.83 3kbt h LYS 958 Ca 0.00 0.00 -0.48 0.00 -2.18 0.00 0.00 60.65 57.99 3kbt h LYS 958 Cb 0.54 0.00 0.04 0.00 -1.58 0.00 0.00 32.23 31.23 3kbt h LYS 958 CO 0.00 0.25 0.38 -0.51 -1.08 0.00 0.00 179.45 178.48 3kbt s LEU 959 N -5.74 3.59 0.11 2.94 1.02 -0.54 -4.97 118.68 115.08 3kbt s LEU 959 Ca -0.02 1.70 0.12 0.00 0.02 0.00 0.00 54.13 55.95 3kbt s LEU 959 Cb 0.09 -4.52 -0.13 0.00 0.02 0.00 0.00 46.19 41.64 3kbt s LEU 959 CO 0.80 -0.86 1.11 0.28 0.02 0.00 0.00 176.35 177.71 3kbt h SER 960 N 0.76 0.00 -2.69 2.29 0.02 -1.90 -3.39 113.55 108.63 3kbt h SER 960 Ca -0.47 0.00 -0.60 0.00 -0.84 0.00 0.00 61.79 59.88 3kbt h SER 960 Cb 1.20 0.00 -0.40 0.00 0.14 0.00 0.00 62.40 63.34 3kbt h SER 960 CO 0.59 0.80 -0.76 0.35 -1.14 0.00 0.00 176.83 176.68 3kbt n THR 961 N -3.17 0.42 -1.30 -2.27 -2.24 -1.26 -5.13 114.28 99.33 3kbt n THR 961 Ca -0.05 -4.27 -0.35 0.00 -2.27 0.00 0.00 64.05 57.12 3kbt n THR 961 Cb 0.90 -1.96 0.11 0.00 -2.10 0.00 0.00 70.33 67.28 3kbt n THR 961 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 3kbt n PRO 962 N 2.23 0.47 -1.70 -0.78 -0.04 -1.26 -4.85 135.00 129.07 3kbt n PRO 962 Ca 0.25 0.23 -0.43 0.00 -0.04 0.00 0.00 63.50 63.50 3kbt n PRO 962 Cb 0.41 -2.42 -0.03 0.00 -0.04 0.00 0.00 33.50 31.42 3kbt n PRO 962 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 3kbt n PRO 963 N -2.68 2.63 -1.77 0.54 -0.02 -1.26 -4.88 135.00 127.56 3kbt n PRO 963 Ca 0.14 0.95 -0.41 0.00 -2.02 0.00 0.00 63.50 62.16 3kbt n PRO 963 Cb 0.50 -2.80 -0.00 0.00 -0.02 0.00 0.00 33.50 31.17 3kbt n PRO 963 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3kbt n PRO 964 N 4.66 2.66 -4.31 0.52 -0.02 -1.26 -4.97 135.00 132.27 3kbt n PRO 964 Ca 0.17 0.93 -0.33 0.00 -2.02 0.00 0.00 63.50 62.25 3kbt n PRO 964 Cb 0.34 -2.67 -0.15 0.00 -0.02 0.00 0.00 33.50 31.00 3kbt n PRO 964 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3kbt s LEU 965 N -1.75 2.40 0.00 2.45 1.43 -1.26 -5.09 118.68 116.85 3kbt s LEU 965 Ca 0.55 -0.53 -0.15 0.00 -1.03 0.00 0.00 54.13 52.97 3kbt s LEU 965 Cb -0.48 -1.55 0.22 0.00 0.03 0.00 0.00 46.19 44.40 3kbt s LEU 965 CO 0.61 0.04 0.96 0.00 0.23 0.00 0.00 176.35 178.19 3kbt n ALA 966 N 4.36 -2.09 0.11 4.21 0.00 -1.26 -4.94 120.51 120.90 3kbt n ALA 966 Ca -0.20 -1.34 -0.07 0.00 0.00 0.00 0.00 53.44 51.83 3kbt n ALA 966 Cb 0.51 -0.08 -0.04 0.00 0.00 0.00 0.00 19.45 19.84 3kbt n ALA 966 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3kbt h GLU 967 N 0.00 -0.38 -0.66 0.00 5.08 -2.02 -2.93 114.58 113.67 3kbt h GLU 967 Ca -0.34 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.05 3kbt h GLU 967 Cb 0.98 0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.32 3kbt h GLU 967 CO 0.23 -0.25 0.00 0.39 -1.00 0.00 0.00 179.01 178.37 3kbt n GLU 968 N -3.53 2.75 -3.00 2.33 1.02 -1.26 -4.94 120.64 114.01 3kbt n GLU 968 Ca -0.05 -1.63 -0.30 0.00 -0.02 0.00 0.00 57.16 55.16 3kbt n GLU 968 Cb 0.18 -1.73 -0.04 0.00 -0.02 0.00 0.00 31.44 29.83 3kbt n GLU 968 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 3kbt s GLU 969 N -1.80 3.80 -0.02 3.49 2.02 -1.11 -4.77 118.70 120.30 3kbt s GLU 969 Ca 0.29 0.43 -0.30 0.00 0.02 0.00 0.00 54.97 55.41 3kbt s GLU 969 Cb 0.20 -2.45 0.07 0.00 0.10 0.00 0.00 34.13 32.05 3kbt s GLU 969 CO 0.12 0.05 0.66 0.20 0.02 0.00 0.00 175.26 176.31 3kbt s GLY 970 N -2.97 -0.58 0.43 -1.39 0.00 -0.98 -4.80 107.32 97.03 3kbt s GLY 970 Ca 0.50 1.18 -0.22 0.00 0.00 0.00 0.00 44.72 46.19 3kbt s GLY 970 CO 0.28 0.83 0.99 1.08 0.00 0.00 0.00 173.10 176.28 3kbt s LEU 971 N -1.43 4.00 0.00 0.66 1.43 -1.26 -0.88 118.68 121.20 3kbt s LEU 971 Ca -0.09 1.85 0.00 0.00 -1.03 0.00 0.00 54.13 54.85 3kbt s LEU 971 Cb -0.00 -4.42 0.00 0.00 0.03 0.00 0.00 46.19 41.80 3kbt s LEU 971 CO 0.06 -0.48 0.17 0.00 0.23 0.00 0.00 176.35 176.34 3kbt n ALA 972 N -0.49 1.75 -2.80 4.21 0.00 0.20 -4.81 120.51 118.57 3kbt n ALA 972 Ca 0.07 -0.17 -0.10 0.00 0.00 0.00 0.00 53.44 53.24 3kbt n ALA 972 Cb 0.52 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.90 3kbt n ALA 972 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3kbt s SER 973 N -0.45 0.01 0.92 0.00 1.04 -1.09 -0.07 113.70 114.06 3kbt s SER 973 Ca 0.00 -0.95 -0.12 0.00 0.48 0.00 0.00 55.95 55.36 3kbt s SER 973 Cb 0.00 0.48 0.14 0.00 0.10 0.00 0.00 66.02 66.74 3kbt s SER 973 CO 0.00 -0.97 1.09 -0.13 0.98 0.00 0.00 173.24 174.21 3kbt s ARG 974 N -4.01 1.03 0.35 4.02 0.52 -1.26 -4.59 118.95 115.00 3kbt s ARG 974 Ca 0.22 0.88 -0.29 0.00 -0.52 0.00 0.00 55.73 56.02 3kbt s ARG 974 Cb 0.03 -1.78 -0.11 0.00 0.52 0.00 0.00 34.95 33.61 3kbt s ARG 974 CO 0.04 -2.41 1.38 0.42 0.02 0.00 0.00 175.30 174.75 3kbt s ILE 975 N -2.87 2.47 -0.22 1.52 -1.09 -0.24 -4.62 121.20 116.15 3kbt s ILE 975 Ca 0.64 0.47 -0.03 0.00 -2.23 0.00 0.00 60.65 59.50 3kbt s ILE 975 Cb -0.19 -3.30 0.00 0.00 -1.58 0.00 0.00 42.46 37.39 3kbt s ILE 975 CO 0.58 0.11 -0.06 -0.63 -1.23 0.00 0.00 174.94 173.70 3kbt s ILE 976 N -1.10 3.14 -0.24 2.92 1.01 0.74 -0.76 121.20 126.90 3kbt s ILE 976 Ca 0.51 -0.63 -0.04 0.00 0.00 0.00 0.00 60.65 60.48 3kbt s ILE 976 Cb -0.42 -2.44 0.00 0.00 0.01 0.00 0.00 42.46 39.61 3kbt s ILE 976 CO 0.56 0.40 -0.02 0.00 0.00 0.00 0.00 174.94 175.89 3kbt s ALA 977 N 1.43 2.85 -0.06 9.38 0.00 -0.13 -0.91 121.76 134.34 3kbt s ALA 977 Ca 0.05 -1.30 0.01 0.00 0.00 0.00 0.00 51.96 50.72 3kbt s ALA 977 Cb -0.14 -1.81 -0.03 0.00 0.00 0.00 0.00 23.12 21.13 3kbt s ALA 977 CO -0.05 -0.64 -0.06 -0.51 0.00 0.00 0.00 175.76 174.51 3kbt s LEU 978 N 1.45 3.23 0.23 0.00 1.43 -1.25 -0.00 118.68 123.76 3kbt s LEU 978 Ca 0.04 -0.02 0.05 0.00 -1.03 0.00 0.00 54.13 53.16 3kbt s LEU 978 Cb -0.15 -1.73 -0.05 0.00 0.03 0.00 0.00 46.19 44.28 3kbt s LEU 978 CO -0.02 0.35 -0.04 -0.83 0.23 0.00 0.00 176.35 176.04 3kbt s GLY 979 N -0.93 1.54 0.31 -3.19 0.00 0.96 -3.80 107.32 102.21 3kbt s GLY 979 Ca 0.13 -1.75 -0.28 0.00 0.00 0.00 0.00 44.72 42.82 3kbt s GLY 979 CO 0.03 -1.70 1.12 -4.14 0.00 0.00 0.00 173.10 168.41 3kbt s PRO 980 N -3.80 4.49 0.16 2.90 0.02 -1.26 -2.81 135.00 134.70 3kbt s PRO 980 Ca 0.27 1.82 -0.33 0.00 0.02 0.00 0.00 61.00 62.77 3kbt s PRO 980 Cb 0.04 -3.04 -0.16 0.00 0.02 0.00 0.00 34.50 31.36 3kbt s PRO 980 CO 0.08 0.07 1.16 2.41 -0.33 0.00 0.00 177.00 180.38 3kbt n THR 981 N 0.87 0.83 0.00 0.99 -1.04 -1.25 -1.91 114.28 112.76 3kbt n THR 981 Ca 0.00 -0.21 0.00 0.00 -2.04 0.00 0.00 64.05 61.81 3kbt n THR 981 Cb 0.45 -0.79 0.00 0.00 -1.82 0.00 0.00 70.33 68.17 3kbt n THR 981 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3kbt n GLY 982 N 2.03 2.34 3.65 3.41 0.00 -0.59 -5.02 105.19 111.01 3kbt n GLY 982 Ca 0.15 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.71 3kbt n GLY 982 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kbt n ALA 983 N -1.15 0.78 -2.93 4.61 0.00 -0.80 -4.75 120.51 116.26 3kbt n ALA 983 Ca 0.00 0.43 -0.34 0.00 0.00 0.00 0.00 53.44 53.53 3kbt n ALA 983 Cb 0.00 -2.25 -0.12 0.00 0.00 0.00 0.00 19.45 17.09 3kbt n ALA 983 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3kbt s GLN 984 N -0.04 3.74 0.29 0.00 -1.52 -1.26 -1.97 119.66 118.89 3kbt s GLN 984 Ca 0.72 -0.48 0.06 0.00 -1.95 0.00 0.00 55.36 53.71 3kbt s GLN 984 Cb -0.70 -2.99 -0.02 0.00 -0.22 0.00 0.00 33.01 29.08 3kbt s GLN 984 CO 0.47 0.24 0.38 -0.06 -0.25 0.00 0.00 175.29 176.07 3kbt s PHE 985 N 0.40 3.21 -0.35 0.91 0.08 0.88 -4.93 117.98 118.17 3kbt s PHE 985 Ca -0.02 -0.15 0.23 0.00 0.12 0.00 0.00 56.93 57.11 3kbt s PHE 985 Cb -0.14 -1.76 0.40 0.00 -0.57 0.00 0.00 43.02 40.95 3kbt s PHE 985 CO 0.02 0.23 1.62 -0.07 -0.10 0.00 0.00 175.22 176.93 3kbt h LEU 986 N 1.10 0.00 0.00 -0.37 3.38 -1.09 -3.46 115.31 114.86 3kbt h LEU 986 Ca -0.48 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.49 3kbt h LEU 986 Cb 1.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.99 3kbt h LEU 986 CO 0.57 0.07 0.00 -1.54 0.09 0.00 0.00 178.44 177.63 3kbt n SER 987 N -3.12 0.00 -4.88 -0.43 3.41 -1.26 -5.05 113.62 102.29 3kbt n SER 987 Ca 0.03 -0.95 -0.30 0.00 -0.26 0.00 0.00 58.87 57.39 3kbt n SER 987 Cb 0.54 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.46 3kbt n SER 987 CO 0.00 0.00 0.00 -2.84 -0.16 0.00 0.00 175.04 172.04 3kbt s PRO 988 N -1.86 3.75 0.21 4.33 0.02 -1.26 -4.47 135.00 135.73 3kbt s PRO 988 Ca 0.00 0.41 0.11 0.00 0.02 0.00 0.00 61.00 61.54 3kbt s PRO 988 Cb 0.00 -2.41 -0.04 0.00 0.02 0.00 0.00 34.50 32.07 3kbt s PRO 988 CO 0.00 -0.03 -0.19 0.14 -0.33 0.00 0.00 177.00 176.59 3kbt s VAL 989 N -2.38 2.64 -0.15 3.83 -7.23 0.58 -4.76 120.40 112.92 3kbt s VAL 989 Ca 0.50 -2.01 -0.02 0.00 -1.81 0.00 0.00 61.98 58.65 3kbt s VAL 989 Cb -0.10 -2.31 -0.02 0.00 0.56 0.00 0.00 36.38 34.51 3kbt s VAL 989 CO 0.32 -0.18 -0.08 -0.63 -0.31 0.00 0.00 175.10 174.22 3kbt s ILE 990 N -1.87 3.42 -0.09 -0.62 1.01 -0.75 -1.14 121.20 121.15 3kbt s ILE 990 Ca 0.24 -0.52 0.01 0.00 0.00 0.00 0.00 60.65 60.38 3kbt s ILE 990 Cb -0.07 -2.47 0.02 0.00 0.01 0.00 0.00 42.46 39.94 3kbt s ILE 990 CO 0.13 0.50 -0.12 -0.69 0.00 0.00 0.00 174.94 174.76 3kbt s VAL 991 N 0.46 1.22 -0.17 2.92 1.01 -0.25 0.06 120.40 125.65 3kbt s VAL 991 Ca -0.07 -0.48 -0.05 0.00 0.00 0.00 0.00 61.98 61.38 3kbt s VAL 991 Cb -0.15 -1.14 -0.03 0.00 0.00 0.00 0.00 36.38 35.06 3kbt s VAL 991 CO 0.04 0.38 -0.01 -1.61 0.00 0.00 0.00 175.10 173.90 3kbt s GLU 992 N 1.00 3.72 -0.15 2.72 2.02 0.67 -1.20 118.70 127.48 3kbt s GLU 992 Ca -0.08 -0.48 0.02 0.00 0.02 0.00 0.00 54.97 54.45 3kbt s GLU 992 Cb -0.15 -3.01 0.01 0.00 0.10 0.00 0.00 34.13 31.08 3kbt s GLU 992 CO -0.01 0.20 -0.20 0.42 0.02 0.00 0.00 175.26 175.69 3kbt s ILE 993 N 0.50 2.20 0.49 -1.63 -1.09 -0.25 -0.98 121.20 120.43 3kbt s ILE 993 Ca -0.02 -0.92 -0.20 0.00 -2.23 0.00 0.00 60.65 57.28 3kbt s ILE 993 Cb -0.14 -1.90 -0.08 0.00 -1.58 0.00 0.00 42.46 38.76 3kbt s ILE 993 CO 0.02 0.54 1.04 -2.84 -1.23 0.00 0.00 174.94 172.47 3kbt s PRO 994 N 0.94 3.76 0.17 2.79 0.02 -1.26 -1.59 135.00 139.83 3kbt s PRO 994 Ca -0.04 1.37 0.00 0.00 0.02 0.00 0.00 61.00 62.36 3kbt s PRO 994 Cb -0.15 -2.09 -0.04 0.00 0.02 0.00 0.00 34.50 32.24 3kbt s PRO 994 CO -0.04 -0.47 0.06 -3.38 -0.33 0.00 0.00 177.00 172.84 3kbt s HIS 995 N -1.98 1.10 -0.08 6.54 -3.43 -0.68 -4.81 115.29 111.96 3kbt s HIS 995 Ca 0.68 -1.20 -0.03 0.00 -0.80 0.00 0.00 55.06 53.71 3kbt s HIS 995 Cb -0.17 -0.61 -0.04 0.00 -1.43 0.00 0.00 32.58 30.34 3kbt s HIS 995 CO 0.21 -0.43 0.05 -0.59 -2.00 0.00 0.00 174.74 171.97 3kbt s PHE 996 N -3.92 3.29 1.00 0.38 -0.71 0.91 -4.81 117.98 114.11 3kbt s PHE 996 Ca 0.29 0.28 -0.20 0.00 -1.04 0.00 0.00 56.93 56.25 3kbt s PHE 996 Cb 0.07 -1.82 -0.12 0.00 -1.21 0.00 0.00 43.02 39.94 3kbt s PHE 996 CO 0.06 0.55 -0.85 0.00 -1.34 0.00 0.00 175.22 173.64 3kbt n ALA 997 N 1.96 -5.18 -2.32 1.99 0.00 -1.26 -4.84 120.51 110.86 3kbt n ALA 997 Ca -0.18 -0.96 -0.33 0.00 0.00 0.00 0.00 53.44 51.96 3kbt n ALA 997 Cb 0.54 -1.13 -0.06 0.00 0.00 0.00 0.00 19.45 18.80 3kbt n ALA 997 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3kbt s ASP 1003N -1.19 6.75 0.31 0.00 -1.08 -1.26 -5.07 116.67 115.14 3kbt s ASP 1003Ca 0.42 1.08 -0.19 0.00 -0.52 0.00 0.00 52.55 53.33 3kbt s ASP 1003Cb -0.08 -2.29 0.04 0.00 -1.46 0.00 0.00 42.92 39.13 3kbt s ASP 1003CO 0.74 -0.03 0.78 0.00 0.52 0.00 0.00 175.17 177.18 3kbt s ARG 1004N -2.48 1.91 -0.12 4.34 3.03 -1.26 -5.02 118.95 119.34 3kbt s ARG 1004Ca 0.45 -1.14 -0.15 0.00 2.03 0.00 0.00 55.73 56.91 3kbt s ARG 1004Cb -0.13 0.59 0.04 0.00 -1.03 0.00 0.00 34.95 34.42 3kbt s ARG 1004CO 0.20 -0.88 0.40 -2.00 -1.13 0.00 0.00 175.30 171.89 3kbt s GLU 1005N -3.15 0.55 -0.04 3.89 2.12 0.79 -4.91 118.70 117.96 3kbt s GLU 1005Ca 0.13 0.39 -0.25 0.00 0.36 0.00 0.00 54.97 55.60 3kbt s GLU 1005Cb -0.05 0.26 -0.04 0.00 0.26 0.00 0.00 34.13 34.57 3kbt s GLU 1005CO 0.08 -0.10 0.78 -0.51 -0.54 0.00 0.00 175.26 174.97 3kbt s LEU 1006N -0.20 4.34 -0.03 2.70 1.43 -1.26 -1.60 118.68 124.06 3kbt s LEU 1006Ca -0.04 1.33 0.01 0.00 -1.03 0.00 0.00 54.13 54.40 3kbt s LEU 1006Cb -0.03 -3.22 0.02 0.00 0.03 0.00 0.00 46.19 42.99 3kbt s LEU 1006CO 0.02 -0.14 -0.02 -0.69 0.23 0.00 0.00 176.35 175.75 3kbt s VAL 1007N 0.79 0.32 -0.05 -1.59 1.01 -0.43 -5.01 120.40 115.43 3kbt s VAL 1007Ca 0.41 -0.01 -0.14 0.00 0.00 0.00 0.00 61.98 62.24 3kbt s VAL 1007Cb -0.19 -0.37 -0.05 0.00 0.00 0.00 0.00 36.38 35.77 3kbt s VAL 1007CO 0.21 0.17 0.38 -0.69 0.00 0.00 0.00 175.10 175.17 3kbt s VAL 1008N 0.89 5.14 0.13 2.92 1.01 -1.26 -1.57 120.40 127.66 3kbt s VAL 1008Ca -0.10 0.76 0.09 0.00 0.00 0.00 0.00 61.98 62.73 3kbt s VAL 1008Cb -0.13 -3.69 -0.04 0.00 0.00 0.00 0.00 36.38 32.52 3kbt s VAL 1008CO -0.01 0.51 -0.22 -0.76 0.00 0.00 0.00 175.10 174.62 3kbt s LEU 1009N -0.56 2.35 0.04 3.92 1.43 -0.54 -1.19 118.68 124.14 3kbt s LEU 1009Ca 0.22 -0.76 -0.03 0.00 -1.03 0.00 0.00 54.13 52.53 3kbt s LEU 1009Cb -0.15 -0.98 -0.02 0.00 0.03 0.00 0.00 46.19 45.06 3kbt s LEU 1009CO 0.11 0.07 0.04 0.00 0.23 0.00 0.00 176.35 176.80 3kbt s ARG 1010N -2.24 0.56 -0.06 1.70 1.70 -0.23 -0.10 118.95 120.28 3kbt s ARG 1010Ca 0.12 -0.87 -0.01 0.00 -0.47 0.00 0.00 55.73 54.49 3kbt s ARG 1010Cb -0.09 0.21 0.03 0.00 -0.57 0.00 0.00 34.95 34.53 3kbt s ARG 1010CO 0.06 -0.12 0.02 0.45 -1.08 0.00 0.00 175.30 174.62 3kbt s SER 1011N -2.27 1.37 0.22 -2.89 0.15 0.23 -1.55 113.70 108.94 3kbt s SER 1011Ca -0.03 -0.03 -0.08 0.00 0.70 0.00 0.00 55.95 56.51 3kbt s SER 1011Cb 0.00 -0.33 0.17 0.00 -1.71 0.00 0.00 66.02 64.15 3kbt s SER 1011CO -0.06 -0.20 1.83 -0.33 1.20 0.00 0.00 173.24 175.67 3kbt h GLU 1012N 8.28 1.15 0.00 5.44 4.39 -1.85 -2.05 114.58 129.93 3kbt h GLU 1012Ca -0.19 -0.15 0.00 0.00 0.34 0.00 0.00 59.36 59.36 3kbt h GLU 1012Cb 1.12 -0.22 0.00 0.00 -0.10 0.00 0.00 28.75 29.56 3kbt h GLU 1012CO 0.24 0.86 0.00 0.27 -1.16 0.00 0.00 179.01 179.22 3kbt n ASN 1013N -4.38 1.01 0.00 1.42 6.94 -1.26 -2.96 115.26 116.03 3kbt n ASN 1013Ca 0.08 -1.49 0.00 0.00 -0.02 0.00 0.00 54.58 53.15 3kbt n ASN 1013Cb 0.11 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.53 3kbt n ASN 1013CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3kbt n GLY 1014N -0.25 1.41 0.07 4.83 0.00 -1.26 -4.92 105.19 105.09 3kbt n GLY 1014Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 3kbt n GLY 1014CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3kbt n SER 1015N 0.00 0.63 -4.13 1.61 3.41 -1.26 -4.43 113.62 109.45 3kbt n SER 1015Ca 0.00 0.00 -0.27 0.00 -0.26 0.00 0.00 58.87 58.34 3kbt n SER 1015Cb 0.00 1.10 -0.16 0.00 -0.26 0.00 0.00 64.21 64.89 3kbt n SER 1015CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3kbt s VAL 1016N -2.59 1.49 -0.13 -3.33 1.01 -1.26 -5.01 120.40 110.58 3kbt s VAL 1016Ca -0.08 -0.73 -0.03 0.00 0.00 0.00 0.00 61.98 61.14 3kbt s VAL 1016Cb 0.06 -1.29 -0.03 0.00 0.00 0.00 0.00 36.38 35.12 3kbt s VAL 1016CO 0.74 0.43 -0.04 0.26 0.00 0.00 0.00 175.10 176.49 3kbt s TRP 1017N 0.20 3.03 0.17 5.22 0.52 -1.26 -4.22 118.94 122.59 3kbt s TRP 1017Ca -0.08 -0.17 0.02 0.00 0.02 0.00 0.00 56.10 55.89 3kbt s TRP 1017Cb -0.13 -1.89 -0.05 0.00 -1.15 0.00 0.00 33.47 30.25 3kbt s TRP 1017CO 0.04 0.10 -0.02 -1.59 0.02 0.00 0.00 176.95 175.50 3kbt s LYS 1018N -0.02 1.10 0.27 4.98 -2.85 -0.60 -4.96 119.74 117.66 3kbt s LYS 1018Ca 0.01 -1.52 -0.24 0.00 -1.00 0.00 0.00 55.97 53.22 3kbt s LYS 1018Cb -0.13 -0.33 -0.09 0.00 -2.06 0.00 0.00 37.83 35.22 3kbt s LYS 1018CO 0.03 -0.09 0.86 -2.00 0.10 0.00 0.00 175.35 174.24 3kbt s GLU 1019N -3.88 4.49 -0.03 1.78 2.12 -1.26 -1.07 118.70 120.85 3kbt s GLU 1019Ca 0.22 1.17 0.07 0.00 0.36 0.00 0.00 54.97 56.79 3kbt s GLU 1019Cb 0.06 -2.89 -0.02 0.00 0.26 0.00 0.00 34.13 31.54 3kbt s GLU 1019CO 0.03 0.35 -0.25 -1.58 -0.54 0.00 0.00 175.26 173.27 3kbt s HIS 1020N -1.53 2.28 0.22 5.30 5.65 -0.33 -4.87 115.29 122.02 3kbt s HIS 1020Ca 0.46 -0.48 -0.10 0.00 0.25 0.00 0.00 55.06 55.19 3kbt s HIS 1020Cb -0.19 -1.47 -0.01 0.00 -1.18 0.00 0.00 32.58 29.73 3kbt s HIS 1020CO 0.23 -0.07 0.39 1.03 -0.65 0.00 0.00 174.74 175.67 3kbt s ARG 1021N -0.50 1.42 0.00 2.88 0.52 -1.26 -4.28 118.95 117.72 3kbt s ARG 1021Ca 0.07 -1.28 0.00 0.00 -0.52 0.00 0.00 55.73 54.00 3kbt s ARG 1021Cb -0.10 0.42 0.00 0.00 0.52 0.00 0.00 34.95 35.79 3kbt s ARG 1021CO -0.00 -0.56 0.00 0.41 0.02 0.00 0.00 175.30 175.17 3kbt n GLY 1025N -0.33 -0.36 1.79 -3.53 0.00 -1.26 -5.00 105.19 96.50 3kbt n GLY 1025Ca -0.02 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 45.07 3kbt n GLY 1025CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kbt n GLU 1026N -0.03 0.00 0.16 1.61 4.71 -1.26 -4.92 120.64 120.91 3kbt n GLU 1026Ca 0.00 0.00 0.13 0.00 -0.01 0.00 0.00 57.16 57.28 3kbt n GLU 1026Cb 0.00 0.00 0.36 0.00 -1.01 0.00 0.00 31.44 30.79 3kbt n GLU 1026CO 0.00 0.00 0.00 1.03 0.09 0.00 0.00 177.13 178.25 3kbt h SER 1027N 0.00 0.00 -0.51 1.62 0.87 -2.06 -3.18 113.55 110.28 3kbt h SER 1027Ca 0.00 0.00 0.10 0.00 -1.23 0.00 0.00 61.79 60.66 3kbt h SER 1027Cb 0.00 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 61.93 3kbt h SER 1027CO 0.00 0.00 0.35 1.88 -0.53 0.00 0.00 176.83 178.53 3kbt h TYR 1028N 0.00 0.26 -0.72 2.24 0.05 -2.01 -3.33 116.97 113.46 3kbt h TYR 1028Ca 0.00 0.01 0.10 0.00 0.05 0.00 0.00 58.73 58.89 3kbt h TYR 1028Cb 0.77 -0.08 -0.12 0.00 1.01 0.00 0.00 36.73 38.31 3kbt h TYR 1028CO 0.00 0.12 -0.46 -0.07 -1.05 0.00 0.00 178.16 176.70 3kbt h LEU 1029N 0.25 -1.62 -1.10 3.88 3.38 -1.94 0.64 115.31 118.80 3kbt h LEU 1029Ca 0.24 0.27 0.05 0.00 0.09 0.00 0.00 57.88 58.53 3kbt h LEU 1029Cb 0.62 0.75 -0.06 0.00 0.09 0.00 0.00 40.66 42.05 3kbt h LEU 1029CO -0.05 -0.31 0.61 -0.78 0.09 0.00 0.00 178.44 178.00 3kbt h ASP 1030N -0.16 0.98 0.64 -0.43 3.58 -1.86 -3.01 116.42 116.16 3kbt h ASP 1030Ca 0.20 -0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.62 3kbt h ASP 1030Cb 0.54 -0.21 0.01 0.00 1.72 0.00 0.00 39.33 41.39 3kbt h ASP 1030CO -0.78 0.65 -0.31 -0.61 -2.88 0.00 0.00 179.24 175.31 3kbt h GLN 1031N 1.12 -0.82 -0.02 0.28 4.15 -1.15 -3.34 115.11 115.33 3kbt h GLN 1031Ca 0.39 0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.87 3kbt h GLN 1031Cb 0.12 0.19 -0.00 0.00 0.21 0.00 0.00 27.48 27.99 3kbt h GLN 1031CO -0.14 -0.55 0.02 -0.84 -1.93 0.00 0.00 178.83 175.39 3kbt h ILE 1032N -1.16 0.57 0.00 2.39 3.07 -1.13 -1.46 117.51 119.78 3kbt h ILE 1032Ca -0.09 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.32 3kbt h ILE 1032Cb 0.66 0.99 0.00 0.00 -0.27 0.00 0.00 36.82 38.19 3kbt h ILE 1032CO 0.14 0.00 0.00 -0.07 -1.05 0.00 0.00 178.15 177.17 3kbt h LEU 1033N 0.00 0.00 0.22 0.16 3.38 -1.64 -3.44 115.31 113.99 3kbt h LEU 1033Ca 0.01 0.00 -0.39 0.00 0.09 0.00 0.00 57.88 57.59 3kbt h LEU 1033Cb 0.04 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 40.64 3kbt h LEU 1033CO -0.00 0.00 -0.57 0.59 0.09 0.00 0.00 178.44 178.55 3kbt n ASN 1034N -2.47 -2.69 0.00 -0.43 3.02 -0.55 -1.35 115.26 110.79 3kbt n ASN 1034Ca -0.01 -0.50 0.00 0.00 -0.03 0.00 0.00 54.58 54.04 3kbt n ASN 1034Cb 0.10 -2.28 0.00 0.00 -0.61 0.00 0.00 39.78 36.99 3kbt n ASN 1034CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3kbt n GLY 1035N -1.03 0.46 3.72 7.41 0.00 -1.26 -4.72 105.19 109.76 3kbt n GLY 1035Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 3kbt n GLY 1035CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3kbt s MET 1036N -0.97 4.15 -1.42 1.61 0.00 -0.45 -4.89 119.30 117.32 3kbt s MET 1036Ca 0.00 2.54 -0.12 0.00 0.00 0.00 0.00 55.69 58.11 3kbt s MET 1036Cb 0.00 -3.08 0.07 0.00 0.00 0.00 0.00 34.83 31.81 3kbt s MET 1036CO 0.00 -0.69 2.20 -3.47 0.00 0.00 0.00 175.02 173.05 3kbt n ASP 1037N 3.67 4.77 -4.13 1.11 -0.08 -1.26 -4.89 116.55 115.74 3kbt n ASP 1037Ca 0.14 -2.90 -0.24 0.00 -1.51 0.00 0.00 54.79 50.28 3kbt n ASP 1037Cb 0.36 -1.59 -0.15 0.00 2.34 0.00 0.00 41.12 42.08 3kbt n ASP 1037CO 0.00 0.00 0.00 -1.61 0.12 0.00 0.00 177.20 175.71 3kbt s GLU 1038N 2.16 1.35 -1.10 -0.67 0.41 -1.26 -5.09 118.70 114.50 3kbt s GLU 1038Ca 0.47 -0.55 -0.08 0.00 -0.41 0.00 0.00 54.97 54.40 3kbt s GLU 1038Cb 0.13 -1.27 0.28 0.00 -1.78 0.00 0.00 34.13 31.49 3kbt s GLU 1038CO -0.06 0.31 1.15 0.39 -0.49 0.00 0.00 175.26 176.55 3kbt n GLU 1039N 2.82 3.61 -1.71 1.61 1.02 -1.26 -5.04 120.64 121.69 3kbt n GLU 1039Ca -0.15 -4.48 -0.41 0.00 -0.02 0.00 0.00 57.16 52.10 3kbt n GLU 1039Cb 0.54 -2.53 0.01 0.00 -0.02 0.00 0.00 31.44 29.44 3kbt n GLU 1039CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3kbt n LEU 1040N 2.46 4.15 -4.83 -4.62 4.77 -1.26 -5.00 117.00 112.66 3kbt n LEU 1040Ca 0.24 1.12 -0.31 0.00 -0.03 0.00 0.00 56.01 57.03 3kbt n LEU 1040Cb 0.38 -1.52 0.02 0.00 -2.33 0.00 0.00 43.42 39.98 3kbt n LEU 1040CO 0.50 -0.55 0.71 -0.83 -1.33 0.00 0.00 177.39 175.89 3kbt s GLY 1041N -0.49 1.77 0.38 -0.72 0.00 -1.26 -5.04 107.32 101.96 3kbt s GLY 1041Ca 0.60 0.09 -0.26 0.00 0.00 0.00 0.00 44.72 45.15 3kbt s GLY 1041CO 0.58 0.38 1.25 -1.35 0.00 0.00 0.00 173.10 173.96 3kbt s SER 1042N -3.69 6.51 0.45 1.64 1.04 -1.26 -4.92 113.70 113.48 3kbt s SER 1042Ca 0.58 2.53 0.21 0.00 0.48 0.00 0.00 55.95 59.76 3kbt s SER 1042Cb -0.13 -2.63 1.19 0.00 0.10 0.00 0.00 66.02 64.55 3kbt s SER 1042CO 0.50 -0.70 1.86 0.25 0.98 0.00 0.00 173.24 176.13 3kbt h LEU 1043N 2.85 0.30 -0.73 2.42 5.85 -2.00 0.26 115.31 124.25 3kbt h LEU 1043Ca -0.49 0.03 -0.13 0.00 0.84 0.00 0.00 57.88 58.14 3kbt h LEU 1043Cb 1.24 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.24 3kbt h LEU 1043CO 0.63 0.11 -0.42 -0.33 -0.34 0.00 0.00 178.44 178.09 3kbt h GLU 1044N 0.29 0.46 -0.24 1.25 4.39 -2.00 -2.75 114.58 115.99 3kbt h GLU 1044Ca 0.46 -0.24 -0.11 0.00 0.34 0.00 0.00 59.36 59.81 3kbt h GLU 1044Cb 1.32 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.96 3kbt h GLU 1044CO -0.14 0.80 -0.31 1.49 -1.16 0.00 0.00 179.01 179.69 3kbt h GLU 1045N 0.38 0.49 -0.63 2.33 4.81 -1.33 -3.01 114.58 117.62 3kbt h GLU 1045Ca 0.03 -0.21 -0.07 0.00 -0.13 0.00 0.00 59.36 58.98 3kbt h GLU 1045Cb 0.90 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.24 3kbt h GLU 1045CO 0.08 0.75 0.12 -0.07 -0.73 0.00 0.00 179.01 179.15 3kbt h LEU 1046N 0.42 0.97 -1.07 1.64 4.07 -1.35 -2.74 115.31 117.26 3kbt h LEU 1046Ca 0.05 -0.22 -0.07 0.00 0.08 0.00 0.00 57.88 57.73 3kbt h LEU 1046Cb 0.76 -0.26 -0.02 0.00 1.08 0.00 0.00 40.66 42.22 3kbt h LEU 1046CO 0.06 0.96 -0.07 -0.08 -1.08 0.00 0.00 178.44 178.23 3kbt h GLU 1047N 0.97 0.57 -0.19 1.13 4.81 -1.39 0.19 114.58 120.67 3kbt h GLU 1047Ca 0.20 -0.15 -0.05 0.00 -0.13 0.00 0.00 59.36 59.22 3kbt h GLU 1047Cb 0.40 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.71 3kbt h GLU 1047CO 0.01 0.65 -0.09 -0.22 -0.73 0.00 0.00 179.01 178.63 3kbt h LYS 1048N 0.54 0.40 -0.00 1.92 3.64 -1.39 -2.86 116.57 118.81 3kbt h LYS 1048Ca 0.10 -0.17 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 3kbt h LYS 1048Cb 0.46 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.26 3kbt h LYS 1048CO 0.02 0.69 -0.01 1.63 -2.27 0.00 0.00 179.45 179.52 3kbt n LYS 1049N -4.58 0.63 -3.39 1.90 5.02 -1.05 -4.97 118.16 111.73 3kbt n LYS 1049Ca -0.05 -0.03 -0.20 0.00 -2.02 0.00 0.00 58.31 56.02 3kbt n LYS 1049Cb 0.31 -1.50 0.06 0.00 -0.02 0.00 0.00 35.03 33.89 3kbt n LYS 1049CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3kbt n ARG 1050N -1.16 -2.26 -4.65 1.97 1.74 0.46 -4.88 116.66 107.88 3kbt n ARG 1050Ca 0.17 0.75 -0.25 0.00 -0.77 0.00 0.00 57.85 57.75 3kbt n ARG 1050Cb 0.21 -5.37 -0.14 0.00 -1.02 0.00 0.00 32.46 26.14 3kbt n ARG 1050CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3kbt s VAL 1051N -3.42 1.63 -0.06 1.55 1.01 0.04 -1.68 120.40 119.47 3kbt s VAL 1051Ca 0.43 -1.16 -0.01 0.00 0.00 0.00 0.00 61.98 61.23 3kbt s VAL 1051Cb -0.08 -1.41 -0.03 0.00 0.00 0.00 0.00 36.38 34.85 3kbt s VAL 1051CO 0.77 0.21 0.01 0.00 0.00 0.00 0.00 175.10 176.10 3kbt s ARG 1053N -1.12 3.45 -0.18 0.00 3.52 -1.26 -1.09 118.95 122.26 3kbt s ARG 1053Ca 0.16 -0.60 -0.04 0.00 -0.13 0.00 0.00 55.73 55.11 3kbt s ARG 1053Cb -0.11 -3.24 -0.02 0.00 -1.56 0.00 0.00 34.95 30.01 3kbt s ARG 1053CO 0.05 -0.24 -0.02 0.42 -0.81 0.00 0.00 175.30 174.70 3kbt s ILE 1054N 1.55 3.90 -0.15 4.11 1.01 -0.34 -5.01 121.20 126.27 3kbt s ILE 1054Ca 0.05 -0.34 -0.01 0.00 0.00 0.00 0.00 60.65 60.36 3kbt s ILE 1054Cb -0.15 -2.74 -0.01 0.00 0.01 0.00 0.00 42.46 39.57 3kbt s ILE 1054CO 0.01 0.46 -0.12 -0.63 0.00 0.00 0.00 174.94 174.66 3kbt s ILE 1055N 0.73 3.01 0.02 2.92 1.01 -1.26 -1.09 121.20 126.54 3kbt s ILE 1055Ca -0.01 -0.66 -0.10 0.00 0.00 0.00 0.00 60.65 59.88 3kbt s ILE 1055Cb -0.14 -2.29 0.01 0.00 0.01 0.00 0.00 42.46 40.05 3kbt s ILE 1055CO 0.02 0.50 0.21 0.28 0.00 0.00 0.00 174.94 175.96 3kbt s THR 1056N 0.69 0.09 -2.17 2.92 -1.32 -0.29 -4.93 115.64 110.63 3kbt s THR 1056Ca -0.06 -0.76 0.21 0.00 -1.21 0.00 0.00 61.69 59.88 3kbt s THR 1056Cb -0.15 -0.75 0.05 0.00 -1.51 0.00 0.00 72.50 70.14 3kbt s THR 1056CO 0.02 -0.42 1.08 0.35 -2.21 0.00 0.00 174.62 173.44 3kbt n THR 1057N 0.96 0.00 -3.80 5.08 -2.24 -1.26 0.21 114.28 113.22 3kbt n THR 1057Ca -0.20 -0.35 -0.10 0.00 -2.27 0.00 0.00 64.05 61.13 3kbt n THR 1057Cb 0.58 1.31 -0.06 0.00 -2.10 0.00 0.00 70.33 70.06 3kbt n THR 1057CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 3kbt s ASP 1058N -2.17 -0.05 -0.27 3.42 1.47 -1.26 -0.09 116.67 117.73 3kbt s ASP 1058Ca 0.20 -0.59 -0.10 0.00 1.18 0.00 0.00 52.55 53.24 3kbt s ASP 1058Cb 0.17 0.44 -0.04 0.00 -0.34 0.00 0.00 42.92 43.14 3kbt s ASP 1058CO 0.45 -0.85 0.16 -0.36 0.68 0.00 0.00 175.17 175.24 3kbt s PHE 1059N -3.87 3.20 0.76 2.11 0.08 -0.83 -5.01 117.98 114.42 3kbt s PHE 1059Ca 0.08 0.01 -0.09 0.00 0.12 0.00 0.00 56.93 57.05 3kbt s PHE 1059Cb 0.03 -2.33 0.09 0.00 -0.57 0.00 0.00 43.02 40.24 3kbt s PHE 1059CO -0.07 -0.17 1.09 -1.25 -0.10 0.00 0.00 175.22 174.72 3kbt s PRO 1060N 1.61 1.88 0.12 0.24 0.04 -1.26 -1.54 135.00 136.08 3kbt s PRO 1060Ca 0.07 -0.27 -0.21 0.00 0.04 0.00 0.00 61.00 60.63 3kbt s PRO 1060Cb -0.15 -2.09 -0.07 0.00 0.04 0.00 0.00 34.50 32.23 3kbt s PRO 1060CO 0.08 -1.50 1.73 1.25 0.04 0.00 0.00 177.00 178.60 3kbt h LEU 1061N -0.84 -0.06 -8.31 -3.56 5.85 -1.27 -3.39 115.31 103.74 3kbt h LEU 1061Ca -0.44 0.03 -0.36 0.00 0.84 0.00 0.00 57.88 57.95 3kbt h LEU 1061Cb 1.30 0.06 -0.22 0.00 0.37 0.00 0.00 40.66 42.17 3kbt h LEU 1061CO 0.57 -0.01 -0.76 -0.31 -0.34 0.00 0.00 178.44 177.59 3kbt s TYR 1062N -6.19 1.00 0.06 1.25 2.02 -1.06 -3.82 117.35 110.60 3kbt s TYR 1062Ca -0.13 -0.47 0.04 0.00 -0.37 0.00 0.00 57.07 56.15 3kbt s TYR 1062Cb 0.09 -0.57 -0.03 0.00 -0.40 0.00 0.00 41.96 41.05 3kbt s TYR 1062CO 0.68 0.00 -0.13 -0.06 -1.57 0.00 0.00 175.55 174.47 3kbt s PHE 1063N -1.28 1.08 0.07 2.71 0.08 -0.09 -0.60 117.98 119.95 3kbt s PHE 1063Ca -0.05 -0.45 -0.10 0.00 0.12 0.00 0.00 56.93 56.46 3kbt s PHE 1063Cb -0.10 -0.62 0.00 0.00 -0.57 0.00 0.00 43.02 41.74 3kbt s PHE 1063CO 0.01 0.02 0.21 0.54 -0.10 0.00 0.00 175.22 175.91 3kbt s VAL 1064N -1.22 0.12 -0.18 -0.44 0.11 0.85 -0.19 120.40 119.46 3kbt s VAL 1064Ca -0.03 -1.02 -0.04 0.00 -2.93 0.00 0.00 61.98 57.96 3kbt s VAL 1064Cb -0.10 -1.17 -0.02 0.00 -1.53 0.00 0.00 36.38 33.57 3kbt s VAL 1064CO 0.02 -0.56 -0.04 -0.63 -3.33 0.00 0.00 175.10 170.56 3kbt s ILE 1065N -3.36 3.70 0.26 7.04 -1.09 -1.26 -1.46 121.20 125.03 3kbt s ILE 1065Ca 0.01 -0.41 0.05 0.00 -2.23 0.00 0.00 60.65 58.07 3kbt s ILE 1065Cb 0.02 -2.65 -0.06 0.00 -1.58 0.00 0.00 42.46 38.20 3kbt s ILE 1065CO -0.08 0.46 -0.01 0.00 -1.23 0.00 0.00 174.94 174.07 3kbt s MET 1066N 0.84 1.46 -0.06 2.79 0.23 -0.61 0.58 119.30 124.52 3kbt s MET 1066Ca -0.01 -1.75 0.03 0.00 -1.03 0.00 0.00 55.69 52.93 3kbt s MET 1066Cb -0.15 -0.83 0.01 0.00 -1.53 0.00 0.00 34.83 32.34 3kbt s MET 1066CO 0.02 -0.07 -0.14 -1.54 -2.03 0.00 0.00 175.02 171.25 3kbt s SER 1067N -3.38 1.94 0.00 -1.18 1.04 -0.06 -1.32 113.70 110.75 3kbt s SER 1067Ca 0.30 -0.33 0.00 0.00 0.48 0.00 0.00 55.95 56.40 3kbt s SER 1067Cb 0.06 -0.83 0.00 0.00 0.10 0.00 0.00 66.02 65.34 3kbt s SER 1067CO 0.11 0.07 0.47 -2.11 0.98 0.00 0.00 173.24 172.75