#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 3.37 0.42 0.00 -4.23 -1.26 -4.93 115.64 109.01 3kbt s THR 911 Ca 0.00 -0.35 0.07 0.00 -1.18 0.00 0.00 61.69 60.23 3kbt s THR 911 Cb 0.00 -3.89 -0.05 0.00 1.34 0.00 0.00 72.50 69.91 3kbt s THR 911 CO 0.00 -0.76 0.21 -0.83 -0.54 0.00 0.00 174.62 172.70 3kbt s GLY 912 N 8.40 2.33 0.12 3.99 0.00 -1.26 -4.40 107.32 116.49 3kbt s GLY 912 Ca 0.74 -2.03 0.11 0.00 0.00 0.00 0.00 44.72 43.54 3kbt s GLY 912 CO 0.03 -1.90 -0.27 -0.11 0.00 0.00 0.00 173.10 170.85 3kbt s PHE 913 N -2.60 2.32 -0.07 1.90 -0.71 0.08 -4.58 117.98 114.32 3kbt s PHE 913 Ca 0.41 -0.38 -0.02 0.00 -1.04 0.00 0.00 56.93 55.89 3kbt s PHE 913 Cb 0.03 -1.28 -0.01 0.00 -1.21 0.00 0.00 43.02 40.55 3kbt s PHE 913 CO 0.23 0.30 0.11 -0.07 -1.34 0.00 0.00 175.22 174.45 3kbt h LEU 914 N 4.03 -0.07 0.00 -1.99 3.38 -1.96 -0.02 115.31 118.69 3kbt h LEU 914 Ca -0.50 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.47 3kbt h LEU 914 Cb 1.17 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.93 3kbt h LEU 914 CO 0.40 0.34 0.00 1.33 0.09 0.00 0.00 178.44 180.60 3kbt n VAL 915 N -4.39 0.00 -3.67 1.22 0.24 -1.26 -4.86 118.33 105.61 3kbt n VAL 915 Ca -0.01 0.00 -0.09 0.00 -2.04 0.00 0.00 64.34 62.20 3kbt n VAL 915 Cb 0.03 0.81 -0.02 0.00 -1.47 0.00 0.00 33.84 33.19 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 0.00 -0.39 -0.04 -1.34 1.04 -1.26 0.26 113.70 111.98 3kbt s SER 916 Ca 0.00 -0.34 -0.29 0.00 0.48 0.00 0.00 55.95 55.80 3kbt s SER 916 Cb 0.00 0.67 0.10 0.00 0.10 0.00 0.00 66.02 66.89 3kbt s SER 916 CO 0.00 -1.17 0.87 0.72 0.98 0.00 0.00 173.24 174.64 3kbt s PHE 917 N -3.83 -0.40 -0.06 5.02 -0.12 -0.55 -4.85 117.98 113.19 3kbt s PHE 917 Ca 0.07 0.42 -0.09 0.00 -0.05 0.00 0.00 56.93 57.28 3kbt s PHE 917 Cb -0.04 0.50 -0.05 0.00 -0.63 0.00 0.00 43.02 42.81 3kbt s PHE 917 CO -0.02 -0.52 0.25 -1.64 -0.05 0.00 0.00 175.22 173.24 3kbt s MET 918 N -2.45 3.61 0.01 1.99 -1.94 -1.26 -2.01 119.30 117.24 3kbt s MET 918 Ca 0.01 0.04 -0.00 0.00 -1.71 0.00 0.00 55.69 54.02 3kbt s MET 918 Cb -0.01 -3.17 -0.01 0.00 2.01 0.00 0.00 34.83 33.65 3kbt s MET 918 CO -0.05 0.72 -0.01 0.54 -0.01 0.00 0.00 175.02 176.22 3kbt s VAL 919 N -1.11 0.05 0.00 -6.03 0.11 -0.97 -4.99 120.40 107.46 3kbt s VAL 919 Ca 0.20 -0.44 0.00 0.00 -2.93 0.00 0.00 61.98 58.81 3kbt s VAL 919 Cb -0.14 -0.14 0.00 0.00 -1.53 0.00 0.00 36.38 34.57 3kbt s VAL 919 CO 0.09 -0.24 0.00 -0.90 -3.33 0.00 0.00 175.10 170.72 3kbt n ASP 920 N 2.34 1.52 0.20 3.54 5.68 -1.26 -1.03 116.55 127.54 3kbt n ASP 920 Ca -0.18 -0.79 0.14 0.00 -0.50 0.00 0.00 54.79 53.46 3kbt n ASP 920 Cb 0.58 0.00 0.74 0.00 -1.14 0.00 0.00 41.12 41.29 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 1.00 0.00 2.12 0.00 -1.76 0.48 119.26 122.09 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 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.79 3kbt n ARG 922 N -2.45 0.32 -1.31 0.00 1.74 -1.26 -1.77 116.66 111.92 3kbt n ARG 922 Ca -0.02 0.00 0.16 0.00 -0.77 0.00 0.00 57.85 57.22 3kbt n ARG 922 Cb 0.05 -1.36 -0.06 0.00 -1.02 0.00 0.00 32.46 30.07 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 -0.31 -2.18 3.62 -0.13 0.00 0.16 -4.56 105.19 101.78 3kbt n GLY 923 Ca 0.05 -0.92 -0.04 0.00 0.00 0.00 0.00 46.02 45.12 3kbt n GLY 923 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kbt s GLY 924 N -6.56 -0.14 -0.03 -0.02 0.00 0.22 -4.67 107.32 96.12 3kbt s GLY 924 Ca 0.00 2.13 0.03 0.00 0.00 0.00 0.00 44.72 46.88 3kbt s GLY 924 CO 0.00 0.79 -0.12 -0.45 0.00 0.00 0.00 173.10 173.32 3kbt s SER 925 N -1.66 1.54 -0.02 1.64 0.15 -1.26 -0.17 113.70 113.92 3kbt s SER 925 Ca 0.09 -0.24 -0.07 0.00 0.70 0.00 0.00 55.95 56.43 3kbt s SER 925 Cb -0.01 -0.43 0.01 0.00 -1.71 0.00 0.00 66.02 63.87 3kbt s SER 925 CO -0.05 0.09 0.15 -0.32 1.20 0.00 0.00 173.24 174.31 3kbt s MET 926 N 0.18 0.39 0.09 5.44 1.75 0.23 -5.01 119.30 122.37 3kbt s MET 926 Ca -0.04 -0.18 0.06 0.00 -1.25 0.00 0.00 55.69 54.28 3kbt s MET 926 Cb -0.10 0.17 -0.04 0.00 2.84 0.00 0.00 34.83 37.70 3kbt s MET 926 CO 0.01 -0.09 -0.07 1.03 -0.65 0.00 0.00 175.02 175.26 3kbt s ARG 927 N -0.89 2.29 0.07 4.11 0.52 -1.26 -0.17 118.95 123.62 3kbt s ARG 927 Ca -0.10 -0.95 -0.31 0.00 -0.52 0.00 0.00 55.73 53.86 3kbt s ARG 927 Cb -0.05 -2.39 -0.09 0.00 0.52 0.00 0.00 34.95 32.94 3kbt s ARG 927 CO 0.01 0.52 1.76 0.20 0.02 0.00 0.00 175.30 177.81 3kbt s GLY 928 N -2.19 1.46 0.43 -3.53 0.00 0.57 -0.74 107.32 103.32 3kbt s GLY 928 Ca 0.23 1.29 0.23 0.00 0.00 0.00 0.00 44.72 46.46 3kbt s GLY 928 CO 0.15 3.07 1.78 1.48 0.00 0.00 0.00 173.10 179.58 3kbt h SER 929 N 8.81 0.00 0.49 1.64 4.64 -1.24 -2.56 113.55 125.33 3kbt h SER 929 Ca -0.44 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 60.69 3kbt h SER 929 Cb 1.21 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.29 3kbt h SER 929 CO 0.94 0.24 -0.80 0.03 -0.87 0.00 0.00 176.83 176.37 3kbt h ARG 930 N 0.00 0.23 -2.52 4.77 3.08 -1.90 -3.43 114.38 114.62 3kbt h ARG 930 Ca -0.00 -0.22 -0.59 0.00 0.07 0.00 0.00 59.98 59.24 3kbt h ARG 930 Cb 0.81 0.06 -0.39 0.00 0.08 0.00 0.00 29.97 30.53 3kbt h ARG 930 CO 0.03 0.91 -0.89 -1.01 -1.07 0.00 0.00 179.97 177.94 3kbt s HIS 931 N -3.39 0.94 0.41 3.04 3.76 -1.02 -5.03 115.29 114.01 3kbt s HIS 931 Ca -0.04 -1.95 0.22 0.00 -0.15 0.00 0.00 55.06 53.15 3kbt s HIS 931 Cb 0.11 -0.97 1.20 0.00 1.11 0.00 0.00 32.58 34.03 3kbt s HIS 931 CO 0.82 -0.82 1.73 -0.91 -0.85 0.00 0.00 174.74 174.71 3kbt h ASN 932 N 6.44 0.38 1.29 1.40 2.35 -1.74 0.14 115.58 125.83 3kbt h ASN 932 Ca 0.14 0.09 0.00 0.00 -0.55 0.00 0.00 56.30 55.99 3kbt h ASN 932 Cb 0.94 0.04 0.00 0.00 0.05 0.00 0.00 38.32 39.35 3kbt h ASN 932 CO 0.32 0.01 0.00 1.23 -1.65 0.00 0.00 177.43 177.34 3kbt h GLY 933 N 0.30 0.00 -5.53 2.83 0.00 -1.95 -3.41 103.07 95.31 3kbt h GLY 933 Ca 0.65 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 47.40 3kbt h GLY 933 CO -0.32 0.00 0.71 -2.27 0.00 0.00 0.00 176.54 174.67 3kbt s LEU 934 N -5.37 4.04 -0.00 3.11 2.96 0.47 -4.47 118.68 119.42 3kbt s LEU 934 Ca 0.06 1.13 0.02 0.00 -0.22 0.00 0.00 54.13 55.11 3kbt s LEU 934 Cb 0.09 -3.43 -0.00 0.00 0.50 0.00 0.00 46.19 43.35 3kbt s LEU 934 CO 0.55 -0.71 -0.05 -0.60 -1.32 0.00 0.00 176.35 174.22 3kbt s ARG 935 N 3.26 0.43 -0.10 1.98 3.52 -0.11 -0.31 118.95 127.63 3kbt s ARG 935 Ca 0.42 -0.19 0.01 0.00 -0.13 0.00 0.00 55.73 55.84 3kbt s ARG 935 Cb -0.14 -0.42 0.02 0.00 -1.56 0.00 0.00 34.95 32.85 3kbt s ARG 935 CO 0.10 0.11 -0.13 0.08 -0.81 0.00 0.00 175.30 174.65 3kbt s VAL 936 N -0.10 1.30 -0.24 7.11 1.01 0.76 0.07 120.40 130.30 3kbt s VAL 936 Ca 0.02 -0.52 0.02 0.00 0.00 0.00 0.00 61.98 61.50 3kbt s VAL 936 Cb -0.02 -1.21 0.06 0.00 0.00 0.00 0.00 36.38 35.20 3kbt s VAL 936 CO -0.00 0.40 -0.10 -0.69 0.00 0.00 0.00 175.10 174.71 3kbt s VAL 937 N 1.09 1.95 -0.45 2.92 1.01 0.15 -0.60 120.40 126.47 3kbt s VAL 937 Ca -0.05 -1.44 -0.09 0.00 0.00 0.00 0.00 61.98 60.39 3kbt s VAL 937 Cb -0.14 -2.08 0.10 0.00 0.00 0.00 0.00 36.38 34.25 3kbt s VAL 937 CO -0.02 -0.01 0.30 -0.63 0.00 0.00 0.00 175.10 174.74 3kbt s ILE 938 N 1.21 4.17 0.53 2.22 -1.09 0.77 -2.02 121.20 126.99 3kbt s ILE 938 Ca -0.07 -1.64 -0.17 0.00 -2.23 0.00 0.00 60.65 56.54 3kbt s ILE 938 Cb -0.19 -3.67 -0.07 0.00 -1.58 0.00 0.00 42.46 36.95 3kbt s ILE 938 CO -0.06 -0.66 1.01 -2.84 -1.23 0.00 0.00 174.94 171.16 3kbt s PRO 939 N 1.38 3.77 0.09 2.79 0.02 -1.26 0.73 135.00 142.52 3kbt s PRO 939 Ca 0.05 1.07 -0.36 0.00 0.02 0.00 0.00 61.00 61.78 3kbt s PRO 939 Cb -0.25 -2.11 -0.18 0.00 0.02 0.00 0.00 34.50 31.99 3kbt s PRO 939 CO 0.00 -0.42 1.01 -2.30 -0.33 0.00 0.00 177.00 174.96 3kbt n PRO 940 N -1.60 0.41 -1.01 5.54 -0.02 -1.26 -2.46 135.00 134.60 3kbt n PRO 940 Ca 0.07 0.15 -0.00 0.00 -2.02 0.00 0.00 63.50 61.70 3kbt n PRO 940 Cb 0.54 -1.56 -0.00 0.00 -0.02 0.00 0.00 33.50 32.45 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 1.58 -0.24 0.13 -0.52 1.74 -0.73 -4.80 116.66 113.82 3kbt n ARG 941 Ca 0.18 0.13 0.12 0.00 -0.77 0.00 0.00 57.85 57.51 3kbt n ARG 941 Cb 0.17 -3.37 0.04 0.00 -1.02 0.00 0.00 32.46 28.27 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 0.00 -3.94 0.55 1.35 -1.77 -3.44 112.91 105.66 3kbt h THR 942 Ca -0.01 -0.99 -0.49 0.00 -0.55 0.00 0.00 66.41 64.37 3kbt h THR 942 Cb 0.13 1.60 -0.22 0.00 -1.73 0.00 0.00 68.15 67.94 3kbt h THR 942 CO 0.01 0.00 -0.80 0.00 -0.25 0.00 0.00 175.52 174.48 3kbt h ALA 944 N 4.21 1.05 -2.84 0.00 0.00 -1.92 -3.35 119.26 116.41 3kbt h ALA 944 Ca -0.43 -0.22 -0.18 0.00 0.00 0.00 0.00 54.91 54.07 3kbt h ALA 944 Cb 1.19 -0.04 -0.09 0.00 0.00 0.00 0.00 17.79 18.84 3kbt h ALA 944 CO 0.40 0.31 -0.21 0.00 0.00 0.00 0.00 179.25 179.74 3kbt s ALA 945 N -3.71 0.40 0.21 0.00 0.00 -1.26 -4.84 121.76 112.57 3kbt s ALA 945 Ca 0.00 -1.28 -0.32 0.00 0.00 0.00 0.00 51.96 50.36 3kbt s ALA 945 Cb 0.11 1.15 -0.13 0.00 0.00 0.00 0.00 23.12 24.24 3kbt s ALA 945 CO 0.64 -0.79 1.52 -2.30 0.00 0.00 0.00 175.76 174.83 3kbt n PRO 946 N -0.45 2.22 -4.37 0.00 -0.02 -1.26 -4.37 135.00 126.75 3kbt n PRO 946 Ca -0.00 0.79 -0.20 0.00 -2.02 0.00 0.00 63.50 62.07 3kbt n PRO 946 Cb 0.62 -2.52 -0.13 0.00 -0.02 0.00 0.00 33.50 31.44 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 0.42 1.16 -0.40 3.45 2.01 -0.20 -5.00 115.64 117.08 3kbt s THR 947 Ca 0.72 -1.04 -0.08 0.00 0.31 0.00 0.00 61.69 61.60 3kbt s THR 947 Cb -0.63 -1.05 0.07 0.00 0.01 0.00 0.00 72.50 70.90 3kbt s THR 947 CO 0.44 0.01 0.23 -0.60 -0.69 0.00 0.00 174.62 174.00 3kbt s ARG 948 N -1.18 2.57 -0.01 4.92 3.52 -1.26 -2.29 118.95 125.22 3kbt s ARG 948 Ca 0.02 -1.43 -0.20 0.00 -0.13 0.00 0.00 55.73 53.99 3kbt s ARG 948 Cb -0.08 -3.71 -0.05 0.00 -1.56 0.00 0.00 34.95 29.55 3kbt s ARG 948 CO 0.01 -0.90 0.58 0.42 -0.81 0.00 0.00 175.30 174.60 3kbt s ILE 949 N 1.40 4.93 0.05 4.11 -1.09 -0.85 -4.12 121.20 125.63 3kbt s ILE 949 Ca 0.03 1.21 0.08 0.00 -2.23 0.00 0.00 60.65 59.73 3kbt s ILE 949 Cb -0.22 -3.92 -0.03 0.00 -1.58 0.00 0.00 42.46 36.72 3kbt s ILE 949 CO 0.02 0.42 -0.21 0.42 -1.23 0.00 0.00 174.94 174.35 3kbt s THR 950 N -0.17 1.71 -0.23 2.92 -4.23 -1.11 -1.49 115.64 113.04 3kbt s THR 950 Ca 0.30 -1.26 -0.03 0.00 -1.18 0.00 0.00 61.69 59.52 3kbt s THR 950 Cb -0.18 -1.50 0.10 0.00 1.34 0.00 0.00 72.50 72.27 3kbt s THR 950 CO 0.17 0.18 0.23 0.00 -0.54 0.00 0.00 174.62 174.65 3kbt s ARG 952 N 2.31 2.24 -0.32 0.00 0.52 0.21 -4.64 118.95 119.27 3kbt s ARG 952 Ca 0.08 -0.75 -0.12 0.00 -0.52 0.00 0.00 55.73 54.41 3kbt s ARG 952 Cb -0.15 -1.88 -0.02 0.00 0.52 0.00 0.00 34.95 33.41 3kbt s ARG 952 CO -0.19 0.28 0.22 -0.51 0.02 0.00 0.00 175.30 175.12 3kbt s LEU 953 N 0.02 4.35 -0.07 2.53 1.43 -1.26 -1.23 118.68 124.45 3kbt s LEU 953 Ca -0.06 -0.36 0.01 0.00 -1.03 0.00 0.00 54.13 52.69 3kbt s LEU 953 Cb -0.13 -2.11 -0.03 0.00 0.03 0.00 0.00 46.19 43.95 3kbt s LEU 953 CO 0.04 -0.19 -0.09 -0.69 0.23 0.00 0.00 176.35 175.64 3kbt s VAL 954 N 1.71 3.51 0.21 -1.59 1.01 -0.01 -4.93 120.40 120.31 3kbt s VAL 954 Ca 0.06 -0.54 -0.30 0.00 0.00 0.00 0.00 61.98 61.20 3kbt s VAL 954 Cb -0.17 -2.43 -0.09 0.00 0.00 0.00 0.00 36.38 33.69 3kbt s VAL 954 CO 0.10 0.58 1.32 -0.54 0.00 0.00 0.00 175.10 176.56 3kbt s LYS 955 N -0.62 4.38 0.28 2.72 1.02 -1.26 -0.43 119.74 125.84 3kbt s LYS 955 Ca 0.09 2.08 0.03 0.00 0.02 0.00 0.00 55.97 58.19 3kbt s LYS 955 Cb -0.11 -3.18 0.68 0.00 -0.52 0.00 0.00 37.83 34.70 3kbt s LYS 955 CO 0.02 -0.25 1.72 -1.00 -0.92 0.00 0.00 175.35 174.91 3kbt h PRO 956 N 5.19 0.47 0.00 -1.68 0.13 -1.94 -1.92 132.00 132.25 3kbt h PRO 956 Ca -0.45 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 3kbt h PRO 956 Cb 1.22 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.24 3kbt h PRO 956 CO 0.76 0.31 0.34 1.04 -0.23 0.00 0.00 178.00 180.23 3kbt n GLN 957 N -4.98 0.04 0.00 0.86 3.00 -1.26 -1.75 117.38 113.30 3kbt n GLN 957 Ca 0.21 0.40 -0.08 0.00 -0.01 0.00 0.00 57.00 57.52 3kbt n GLN 957 Cb 0.59 -1.97 -0.13 0.00 0.00 0.00 0.00 30.24 28.73 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 -7.18 -1.09 1.79 -1.73 -3.47 116.57 104.89 3kbt h LYS 958 Ca 0.00 -0.01 -0.50 0.00 -2.18 0.00 0.00 60.65 57.97 3kbt h LYS 958 Cb 0.68 0.00 0.07 0.00 -1.58 0.00 0.00 32.23 31.41 3kbt h LYS 958 CO 0.00 0.64 0.38 -0.51 -1.08 0.00 0.00 179.45 178.88 3kbt s LEU 959 N -6.27 3.51 0.10 2.94 1.02 -0.71 -4.96 118.68 114.31 3kbt s LEU 959 Ca -0.03 1.92 0.14 0.00 0.02 0.00 0.00 54.13 56.19 3kbt s LEU 959 Cb 0.08 -4.55 -0.11 0.00 0.02 0.00 0.00 46.19 41.63 3kbt s LEU 959 CO 0.82 -1.30 1.00 0.28 0.02 0.00 0.00 176.35 177.18 3kbt h SER 960 N 0.47 0.00 -2.71 2.29 0.02 -1.90 -3.39 113.55 108.32 3kbt h SER 960 Ca -0.47 0.00 -0.60 0.00 -0.84 0.00 0.00 61.79 59.87 3kbt h SER 960 Cb 1.23 0.00 -0.40 0.00 0.14 0.00 0.00 62.40 63.37 3kbt h SER 960 CO 0.56 0.68 -0.76 0.35 -1.14 0.00 0.00 176.83 176.53 3kbt n THR 961 N -3.05 0.40 -1.72 -2.27 -2.24 -1.26 -5.12 114.28 99.02 3kbt n THR 961 Ca -0.07 -4.25 -0.37 0.00 -2.27 0.00 0.00 64.05 57.09 3kbt n THR 961 Cb 0.86 -1.95 0.07 0.00 -2.10 0.00 0.00 70.33 67.20 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 2.26 1.16 -1.67 -0.78 -0.04 -1.26 -4.84 135.00 129.83 3kbt n PRO 962 Ca 0.25 0.45 -0.46 0.00 -0.04 0.00 0.00 63.50 63.70 3kbt n PRO 962 Cb 0.41 -2.51 -0.04 0.00 -0.04 0.00 0.00 33.50 31.32 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 -1.72 2.16 -1.80 0.54 -0.02 -1.26 -4.86 135.00 128.03 3kbt n PRO 963 Ca 0.15 0.78 -0.41 0.00 -2.02 0.00 0.00 63.50 62.00 3kbt n PRO 963 Cb 0.48 -2.55 -0.01 0.00 -0.02 0.00 0.00 33.50 31.40 3kbt n PRO 963 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 3kbt s PRO 964 N 1.09 4.12 -0.15 0.52 0.02 -1.26 -4.98 135.00 134.36 3kbt s PRO 964 Ca 0.79 2.57 -0.00 0.00 0.02 0.00 0.00 61.00 64.38 3kbt s PRO 964 Cb -0.68 -2.99 -0.00 0.00 0.02 0.00 0.00 34.50 30.84 3kbt s PRO 964 CO 0.39 -0.56 -0.14 -0.51 -0.33 0.00 0.00 177.00 175.84 3kbt s LEU 965 N -1.46 2.56 0.00 -5.54 1.43 -1.26 -5.08 118.68 109.33 3kbt s LEU 965 Ca 0.57 -0.43 -0.17 0.00 -1.03 0.00 0.00 54.13 53.07 3kbt s LEU 965 Cb -0.47 -1.58 0.24 0.00 0.03 0.00 0.00 46.19 44.40 3kbt s LEU 965 CO 0.57 0.10 1.15 0.00 0.23 0.00 0.00 176.35 178.39 3kbt n ALA 966 N 3.99 -2.11 0.11 4.21 0.00 -1.26 -4.95 120.51 120.50 3kbt n ALA 966 Ca -0.19 -1.57 -0.10 0.00 0.00 0.00 0.00 53.44 51.58 3kbt n ALA 966 Cb 0.52 -0.09 -0.06 0.00 0.00 0.00 0.00 19.45 19.82 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 -0.49 -0.73 0.00 5.08 -2.02 -2.87 114.58 113.55 3kbt h GLU 967 Ca -0.39 0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 57.95 3kbt h GLU 967 Cb 1.12 0.11 -0.03 0.00 0.50 0.00 0.00 28.75 30.45 3kbt h GLU 967 CO 0.27 -0.33 0.07 0.39 -1.00 0.00 0.00 179.01 178.41 3kbt n GLU 968 N -4.19 3.71 -3.16 2.33 1.02 -1.26 -4.95 120.64 114.14 3kbt n GLU 968 Ca -0.06 -2.39 -0.29 0.00 -0.02 0.00 0.00 57.16 54.41 3kbt n GLU 968 Cb 0.25 -2.06 -0.03 0.00 -0.02 0.00 0.00 31.44 29.58 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 -2.37 3.65 -0.06 3.49 2.02 -1.09 -4.71 118.70 119.65 3kbt s GLU 969 Ca 0.42 0.12 -0.29 0.00 0.02 0.00 0.00 54.97 55.23 3kbt s GLU 969 Cb 0.32 -2.56 0.10 0.00 0.10 0.00 0.00 34.13 32.09 3kbt s GLU 969 CO 0.12 0.11 0.82 0.20 0.02 0.00 0.00 175.26 176.53 3kbt s GLY 970 N -3.29 -0.46 0.46 -1.39 0.00 -1.05 -4.80 107.32 96.79 3kbt s GLY 970 Ca 0.46 1.42 -0.20 0.00 0.00 0.00 0.00 44.72 46.40 3kbt s GLY 970 CO 0.32 0.78 0.98 1.08 0.00 0.00 0.00 173.10 176.26 3kbt s LEU 971 N -1.57 3.86 0.00 0.66 1.43 -1.26 -0.86 118.68 120.94 3kbt s LEU 971 Ca -0.04 1.72 0.00 0.00 -1.03 0.00 0.00 54.13 54.79 3kbt s LEU 971 Cb -0.00 -4.54 0.00 0.00 0.03 0.00 0.00 46.19 41.68 3kbt s LEU 971 CO 0.01 -0.50 0.10 0.00 0.23 0.00 0.00 176.35 176.19 3kbt n ALA 972 N -0.89 1.83 -2.63 4.21 0.00 0.38 -4.78 120.51 118.62 3kbt n ALA 972 Ca 0.07 -0.10 -0.15 0.00 0.00 0.00 0.00 53.44 53.27 3kbt n ALA 972 Cb 0.54 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.92 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 -0.67 0.91 0.94 0.00 1.04 -1.02 -0.40 113.70 114.50 3kbt s SER 973 Ca 0.00 -1.49 -0.13 0.00 0.48 0.00 0.00 55.95 54.81 3kbt s SER 973 Cb 0.00 0.58 0.16 0.00 0.10 0.00 0.00 66.02 66.86 3kbt s SER 973 CO 0.00 -1.14 1.14 -0.13 0.98 0.00 0.00 173.24 174.09 3kbt s ARG 974 N -3.44 0.87 0.39 4.02 0.52 -1.26 -4.68 118.95 115.37 3kbt s ARG 974 Ca 0.34 0.23 -0.26 0.00 -0.52 0.00 0.00 55.73 55.52 3kbt s ARG 974 Cb 0.02 -1.81 -0.09 0.00 0.52 0.00 0.00 34.95 33.58 3kbt s ARG 974 CO 0.20 -2.37 1.32 0.42 0.02 0.00 0.00 175.30 174.89 3kbt s ILE 975 N -3.28 2.58 -0.24 1.52 -1.09 0.43 -4.55 121.20 116.57 3kbt s ILE 975 Ca 0.65 0.53 -0.01 0.00 -2.23 0.00 0.00 60.65 59.60 3kbt s ILE 975 Cb -0.14 -3.32 0.03 0.00 -1.58 0.00 0.00 42.46 37.45 3kbt s ILE 975 CO 0.54 0.09 -0.09 -0.63 -1.23 0.00 0.00 174.94 173.62 3kbt s ILE 976 N -1.23 2.67 -0.26 2.92 1.01 0.67 -0.83 121.20 126.15 3kbt s ILE 976 Ca 0.56 -1.07 -0.02 0.00 0.00 0.00 0.00 60.65 60.12 3kbt s ILE 976 Cb -0.39 -2.34 0.03 0.00 0.01 0.00 0.00 42.46 39.77 3kbt s ILE 976 CO 0.51 0.24 -0.04 0.00 0.00 0.00 0.00 174.94 175.65 3kbt s ALA 977 N 1.30 2.76 -0.17 9.38 0.00 -0.37 -1.27 121.76 133.39 3kbt s ALA 977 Ca 0.00 -1.49 -0.06 0.00 0.00 0.00 0.00 51.96 50.41 3kbt s ALA 977 Cb -0.16 -1.77 -0.04 0.00 0.00 0.00 0.00 23.12 21.15 3kbt s ALA 977 CO -0.06 -0.87 0.02 -0.51 0.00 0.00 0.00 175.76 174.34 3kbt s LEU 978 N 1.34 3.59 0.32 0.00 1.43 -1.26 -0.62 118.68 123.48 3kbt s LEU 978 Ca -0.00 0.00 0.10 0.00 -1.03 0.00 0.00 54.13 53.20 3kbt s LEU 978 Cb -0.17 -1.89 -0.06 0.00 0.03 0.00 0.00 46.19 44.11 3kbt s LEU 978 CO -0.03 0.18 -0.07 -0.83 0.23 0.00 0.00 176.35 175.83 3kbt s GLY 979 N 0.32 2.02 0.24 -3.19 0.00 0.15 -3.70 107.32 103.16 3kbt s GLY 979 Ca 0.00 -1.95 -0.30 0.00 0.00 0.00 0.00 44.72 42.48 3kbt s GLY 979 CO 0.01 -1.94 1.10 -4.14 0.00 0.00 0.00 173.10 168.14 3kbt s PRO 980 N -3.63 4.62 0.07 2.90 0.02 -1.26 -2.76 135.00 134.96 3kbt s PRO 980 Ca 0.33 1.78 -0.36 0.00 0.02 0.00 0.00 61.00 62.76 3kbt s PRO 980 Cb -0.01 -3.22 -0.19 0.00 0.02 0.00 0.00 34.50 31.10 3kbt s PRO 980 CO 0.18 0.15 0.91 2.41 -0.33 0.00 0.00 177.00 180.32 3kbt n THR 981 N 1.67 0.63 0.00 0.99 -1.04 -1.24 -1.68 114.28 113.61 3kbt n THR 981 Ca 0.00 -0.16 0.00 0.00 -2.04 0.00 0.00 64.05 61.86 3kbt n THR 981 Cb 0.45 -0.05 0.00 0.00 -1.82 0.00 0.00 70.33 68.91 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 1.69 3.35 3.61 3.41 0.00 -0.74 -5.02 105.19 111.48 3kbt n GLY 982 Ca 0.19 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.45 -0.75 -2.82 4.61 0.00 -0.68 -4.64 120.51 114.78 3kbt n ALA 983 Ca 0.00 0.50 -0.35 0.00 0.00 0.00 0.00 53.44 53.59 3kbt n ALA 983 Cb 0.00 -2.11 -0.10 0.00 0.00 0.00 0.00 19.45 17.24 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 0.82 3.88 0.23 0.00 -1.52 -1.26 -1.95 119.66 119.87 3kbt s GLN 984 Ca 0.85 -0.35 0.06 0.00 -1.95 0.00 0.00 55.36 53.97 3kbt s GLN 984 Cb -0.95 -3.17 -0.03 0.00 -0.22 0.00 0.00 33.01 28.64 3kbt s GLN 984 CO 0.48 0.32 0.27 -0.06 -0.25 0.00 0.00 175.29 176.04 3kbt s PHE 985 N 0.23 3.28 -0.03 0.91 0.08 0.16 -4.94 117.98 117.67 3kbt s PHE 985 Ca 0.04 -0.05 0.25 0.00 0.12 0.00 0.00 56.93 57.28 3kbt s PHE 985 Cb -0.12 -1.49 0.78 0.00 -0.57 0.00 0.00 43.02 41.61 3kbt s PHE 985 CO 0.01 0.49 1.76 -0.07 -0.10 0.00 0.00 175.22 177.30 3kbt h LEU 986 N 1.46 0.00 0.00 -0.37 3.38 -1.17 -3.47 115.31 115.14 3kbt h LEU 986 Ca -0.50 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.47 3kbt h LEU 986 Cb 1.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.98 3kbt h LEU 986 CO 0.61 0.17 0.00 -1.54 0.09 0.00 0.00 178.44 177.77 3kbt n SER 987 N -3.24 0.00 -4.90 -0.43 3.41 -1.26 -5.05 113.62 102.16 3kbt n SER 987 Ca 0.01 -0.60 -0.29 0.00 -0.26 0.00 0.00 58.87 57.73 3kbt n SER 987 Cb 0.47 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.39 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 -0.81 3.68 0.21 4.33 0.02 -1.26 -4.44 135.00 136.73 3kbt s PRO 988 Ca 0.00 0.15 0.11 0.00 0.02 0.00 0.00 61.00 61.28 3kbt s PRO 988 Cb 0.00 -2.57 -0.04 0.00 0.02 0.00 0.00 34.50 31.91 3kbt s PRO 988 CO 0.00 0.14 -0.19 0.14 -0.33 0.00 0.00 177.00 176.76 3kbt s VAL 989 N -2.17 2.61 -0.20 3.83 -7.23 0.50 -4.79 120.40 112.96 3kbt s VAL 989 Ca 0.46 -2.03 -0.04 0.00 -1.81 0.00 0.00 61.98 58.56 3kbt s VAL 989 Cb -0.11 -2.30 -0.02 0.00 0.56 0.00 0.00 36.38 34.52 3kbt s VAL 989 CO 0.30 -0.19 -0.03 -0.63 -0.31 0.00 0.00 175.10 174.24 3kbt s ILE 990 N -1.90 3.70 -0.11 -0.62 1.01 -0.86 -1.31 121.20 121.11 3kbt s ILE 990 Ca 0.24 -0.40 0.02 0.00 0.00 0.00 0.00 60.65 60.51 3kbt s ILE 990 Cb -0.07 -2.66 0.01 0.00 0.01 0.00 0.00 42.46 39.75 3kbt s ILE 990 CO 0.13 0.44 -0.16 -0.69 0.00 0.00 0.00 174.94 174.65 3kbt s VAL 991 N 1.05 1.58 -0.20 2.92 1.01 -0.31 0.33 120.40 126.78 3kbt s VAL 991 Ca 0.01 -0.70 -0.04 0.00 0.00 0.00 0.00 61.98 61.25 3kbt s VAL 991 Cb -0.15 -1.43 -0.02 0.00 0.00 0.00 0.00 36.38 34.78 3kbt s VAL 991 CO 0.01 0.46 -0.02 -1.61 0.00 0.00 0.00 175.10 173.94 3kbt s GLU 992 N 0.89 3.56 -0.17 2.72 2.02 0.11 -0.43 118.70 127.41 3kbt s GLU 992 Ca -0.08 -0.55 0.00 0.00 0.02 0.00 0.00 54.97 54.36 3kbt s GLU 992 Cb -0.15 -3.02 0.00 0.00 0.10 0.00 0.00 34.13 31.06 3kbt s GLU 992 CO -0.00 0.01 -0.16 0.42 0.02 0.00 0.00 175.26 175.54 3kbt s ILE 993 N 0.99 2.53 0.37 -1.63 -1.09 0.12 -0.93 121.20 121.57 3kbt s ILE 993 Ca 0.01 -0.80 -0.25 0.00 -2.23 0.00 0.00 60.65 57.38 3kbt s ILE 993 Cb -0.14 -2.07 -0.09 0.00 -1.58 0.00 0.00 42.46 38.57 3kbt s ILE 993 CO 0.01 0.51 1.04 -2.84 -1.23 0.00 0.00 174.94 172.44 3kbt s PRO 994 N 0.99 4.28 0.20 2.79 0.02 -1.26 -0.48 135.00 141.53 3kbt s PRO 994 Ca -0.02 1.53 0.02 0.00 0.02 0.00 0.00 61.00 62.55 3kbt s PRO 994 Cb -0.15 -2.66 -0.05 0.00 0.02 0.00 0.00 34.50 31.66 3kbt s PRO 994 CO -0.03 -0.04 0.02 -3.38 -0.33 0.00 0.00 177.00 173.24 3kbt s HIS 995 N -1.58 1.31 0.05 6.54 -3.43 -0.53 -4.78 115.29 112.88 3kbt s HIS 995 Ca 0.55 -1.05 -0.00 0.00 -0.80 0.00 0.00 55.06 53.76 3kbt s HIS 995 Cb -0.23 -0.75 -0.04 0.00 -1.43 0.00 0.00 32.58 30.13 3kbt s HIS 995 CO 0.29 -0.23 0.19 -0.59 -2.00 0.00 0.00 174.74 172.40 3kbt s PHE 996 N -3.66 3.48 0.37 0.38 -0.71 0.47 -4.79 117.98 113.52 3kbt s PHE 996 Ca 0.27 0.25 -0.24 0.00 -1.04 0.00 0.00 56.93 56.17 3kbt s PHE 996 Cb 0.06 -1.76 -0.14 0.00 -1.21 0.00 0.00 43.02 39.98 3kbt s PHE 996 CO 0.07 0.59 0.55 0.00 -1.34 0.00 0.00 175.22 175.09 3kbt n ALA 997 N 0.44 -1.69 -1.92 1.99 0.00 -1.26 -4.88 120.51 113.19 3kbt n ALA 997 Ca -0.07 0.23 -0.39 0.00 0.00 0.00 0.00 53.44 53.21 3kbt n ALA 997 Cb 0.51 -1.75 -0.06 0.00 0.00 0.00 0.00 19.45 18.15 3kbt n ALA 997 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3kbt s SER 998 N -0.91 7.41 -0.03 0.00 1.04 -1.26 -5.05 113.70 114.90 3kbt s SER 998 Ca 0.62 1.72 -0.01 0.00 0.48 0.00 0.00 55.95 58.76 3kbt s SER 998 Cb -0.67 -2.53 0.03 0.00 0.10 0.00 0.00 66.02 62.96 3kbt s SER 998 CO 0.59 0.15 0.03 -1.38 0.98 0.00 0.00 173.24 173.60 3kbt s HIS 999 N -1.25 0.14 -5.00 5.02 -3.43 -1.26 -5.03 115.29 104.47 3kbt s HIS 999 Ca 0.39 0.13 0.00 0.00 -0.80 0.00 0.00 55.06 54.78 3kbt s HIS 999 Cb -0.23 -0.40 0.00 0.00 -1.43 0.00 0.00 32.58 30.53 3kbt s HIS 999 CO 0.27 -0.15 0.00 0.41 -2.00 0.00 0.00 174.74 173.27 3kbt n GLY 1000N 4.64 -1.13 3.72 -1.38 0.00 -1.26 -5.09 105.19 104.68 3kbt n GLY 1000Ca -0.17 -1.42 -0.42 0.00 0.00 0.00 0.00 46.02 44.01 3kbt n GLY 1000CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3kbt s ARG 1001N -1.94 4.22 2.44 1.61 6.06 -1.26 -4.86 118.95 125.23 3kbt s ARG 1001Ca 0.00 2.35 0.00 0.00 -2.50 0.00 0.00 55.73 55.58 3kbt s ARG 1001Cb 0.00 -3.19 0.00 0.00 0.06 0.00 0.00 34.95 31.82 3kbt s ARG 1001CO 0.00 -0.61 0.00 0.41 -2.50 0.00 0.00 175.30 172.60 3kbt n GLY 1002N 3.76 -0.39 3.73 8.12 0.00 -1.26 -4.76 105.19 114.38 3kbt n GLY 1002Ca 0.14 -1.09 -0.32 0.00 0.00 0.00 0.00 46.02 44.75 3kbt n GLY 1002CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3kbt s ASP 1003N -4.00 3.95 0.11 1.61 -1.08 -1.26 -5.02 116.67 110.98 3kbt s ASP 1003Ca 0.00 2.09 0.07 0.00 -0.52 0.00 0.00 52.55 54.19 3kbt s ASP 1003Cb 0.00 -2.56 -0.04 0.00 -1.46 0.00 0.00 42.92 38.87 3kbt s ASP 1003CO 0.00 -2.41 -0.16 -0.13 0.52 0.00 0.00 175.17 172.98 3kbt s ARG 1004N -4.50 1.03 -0.16 4.34 1.81 -1.26 -5.03 118.95 115.18 3kbt s ARG 1004Ca 0.67 -1.17 -0.06 0.00 -1.72 0.00 0.00 55.73 53.45 3kbt s ARG 1004Cb -0.22 -1.07 -0.04 0.00 -0.45 0.00 0.00 34.95 33.17 3kbt s ARG 1004CO 0.53 0.23 0.02 -2.00 -0.68 0.00 0.00 175.30 173.40 3kbt s GLU 1005N -2.24 3.76 -0.10 3.54 2.12 -1.15 -4.97 118.70 119.66 3kbt s GLU 1005Ca 0.06 -0.40 -0.19 0.00 0.36 0.00 0.00 54.97 54.80 3kbt s GLU 1005Cb -0.08 -3.07 -0.04 0.00 0.26 0.00 0.00 34.13 31.20 3kbt s GLU 1005CO 0.04 0.32 0.51 -0.51 -0.54 0.00 0.00 175.26 175.08 3kbt s LEU 1006N 0.19 4.29 -0.03 2.70 1.43 -1.26 -2.13 118.68 123.88 3kbt s LEU 1006Ca 0.02 0.89 0.01 0.00 -1.03 0.00 0.00 54.13 54.02 3kbt s LEU 1006Cb -0.13 -2.76 0.02 0.00 0.03 0.00 0.00 46.19 43.35 3kbt s LEU 1006CO 0.01 -0.00 -0.03 -0.69 0.23 0.00 0.00 176.35 175.87 3kbt s VAL 1007N 0.56 0.39 -0.03 -1.59 1.01 -0.12 -5.00 120.40 115.62 3kbt s VAL 1007Ca 0.28 -0.07 -0.15 0.00 0.00 0.00 0.00 61.98 62.04 3kbt s VAL 1007Cb -0.16 -0.42 -0.05 0.00 0.00 0.00 0.00 36.38 35.75 3kbt s VAL 1007CO 0.12 0.17 0.40 -0.69 0.00 0.00 0.00 175.10 175.10 3kbt s VAL 1008N 0.72 5.09 0.04 2.92 1.01 -1.26 -1.34 120.40 127.57 3kbt s VAL 1008Ca -0.08 0.81 0.07 0.00 0.00 0.00 0.00 61.98 62.77 3kbt s VAL 1008Cb -0.12 -3.70 -0.02 0.00 0.00 0.00 0.00 36.38 32.53 3kbt s VAL 1008CO -0.00 0.54 -0.20 -0.76 0.00 0.00 0.00 175.10 174.68 3kbt s LEU 1009N -0.77 2.16 0.05 3.92 1.43 -0.47 -1.38 118.68 123.63 3kbt s LEU 1009Ca 0.23 -0.51 0.02 0.00 -1.03 0.00 0.00 54.13 52.84 3kbt s LEU 1009Cb -0.16 -0.93 -0.03 0.00 0.03 0.00 0.00 46.19 45.10 3kbt s LEU 1009CO 0.12 0.15 -0.06 0.00 0.23 0.00 0.00 176.35 176.78 3kbt s ARG 1010N -1.15 0.59 -0.15 1.70 1.70 -0.30 -0.17 118.95 121.17 3kbt s ARG 1010Ca 0.07 -0.93 -0.02 0.00 -0.47 0.00 0.00 55.73 54.38 3kbt s ARG 1010Cb -0.09 -0.18 0.05 0.00 -0.57 0.00 0.00 34.95 34.16 3kbt s ARG 1010CO 0.02 0.01 0.01 0.45 -1.08 0.00 0.00 175.30 174.70 3kbt s SER 1011N -2.06 2.51 0.26 -2.89 0.15 -0.28 -1.54 113.70 109.84 3kbt s SER 1011Ca -0.04 -0.58 -0.03 0.00 0.70 0.00 0.00 55.95 56.01 3kbt s SER 1011Cb -0.04 -0.61 0.42 0.00 -1.71 0.00 0.00 66.02 64.07 3kbt s SER 1011CO -0.02 -0.25 1.84 -0.33 1.20 0.00 0.00 173.24 175.68 3kbt h GLU 1012N 8.24 0.91 0.00 5.44 4.39 -1.86 -2.66 114.58 129.05 3kbt h GLU 1012Ca -0.19 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.46 3kbt h GLU 1012Cb 1.12 -0.21 0.00 0.00 -0.10 0.00 0.00 28.75 29.56 3kbt h GLU 1012CO 0.33 0.60 0.00 0.27 -1.16 0.00 0.00 179.01 179.05 3kbt n ASN 1013N -4.65 0.66 0.00 1.42 6.94 -1.26 -2.82 115.26 115.55 3kbt n ASN 1013Ca 0.15 -1.31 0.00 0.00 -0.02 0.00 0.00 54.58 53.40 3kbt n ASN 1013Cb 0.26 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.68 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 -0.15 0.93 0.05 4.83 0.00 -1.25 -4.91 105.19 104.69 3kbt n GLY 1014Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 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 1.62 -4.16 1.61 3.41 -1.26 -4.38 113.62 110.47 3kbt n SER 1015Ca 0.00 0.00 -0.25 0.00 -0.26 0.00 0.00 58.87 58.36 3kbt n SER 1015Cb 0.00 1.11 -0.16 0.00 -0.26 0.00 0.00 64.21 64.91 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 -2.56 1.41 -0.11 -3.33 1.01 -1.26 -5.03 120.40 110.53 3kbt s VAL 1016Ca -0.06 -0.74 0.01 0.00 0.00 0.00 0.00 61.98 61.19 3kbt s VAL 1016Cb 0.06 -1.19 -0.01 0.00 0.00 0.00 0.00 36.38 35.23 3kbt s VAL 1016CO 0.58 0.40 -0.16 0.26 0.00 0.00 0.00 175.10 176.18 3kbt s TRP 1017N -0.22 2.73 0.23 5.22 0.52 -1.26 -4.24 118.94 121.92 3kbt s TRP 1017Ca 0.02 -0.68 0.02 0.00 0.02 0.00 0.00 56.10 55.48 3kbt s TRP 1017Cb -0.09 -1.78 -0.05 0.00 -1.15 0.00 0.00 33.47 30.40 3kbt s TRP 1017CO 0.01 -0.21 0.06 -1.59 0.02 0.00 0.00 176.95 175.23 3kbt s LYS 1018N 0.22 1.32 0.33 4.98 -2.85 -0.59 -4.96 119.74 118.19 3kbt s LYS 1018Ca -0.10 -1.69 -0.21 0.00 -1.00 0.00 0.00 55.97 52.97 3kbt s LYS 1018Cb -0.16 -0.32 -0.10 0.00 -2.06 0.00 0.00 37.83 35.19 3kbt s LYS 1018CO 0.06 -0.22 0.86 -2.00 0.10 0.00 0.00 175.35 174.14 3kbt s GLU 1019N -3.98 4.30 -0.01 1.78 2.12 -1.26 -1.15 118.70 120.51 3kbt s GLU 1019Ca 0.33 1.04 0.06 0.00 0.36 0.00 0.00 54.97 56.76 3kbt s GLU 1019Cb 0.07 -2.58 -0.01 0.00 0.26 0.00 0.00 34.13 31.87 3kbt s GLU 1019CO 0.10 0.20 -0.18 -1.58 -0.54 0.00 0.00 175.26 173.26 3kbt s HIS 1020N -1.82 1.62 0.20 5.30 5.65 -0.48 -4.83 115.29 120.93 3kbt s HIS 1020Ca 0.53 -0.31 -0.20 0.00 0.25 0.00 0.00 55.06 55.32 3kbt s HIS 1020Cb -0.14 -1.04 0.04 0.00 -1.18 0.00 0.00 32.58 30.27 3kbt s HIS 1020CO 0.19 -0.02 0.60 1.03 -0.65 0.00 0.00 174.74 175.89 3kbt s ARG 1021N -0.49 1.44 0.38 2.88 0.52 -1.26 -4.22 118.95 118.19 3kbt s ARG 1021Ca 0.07 -0.75 0.00 0.00 -0.52 0.00 0.00 55.73 54.53 3kbt s ARG 1021Cb -0.07 0.57 0.00 0.00 0.52 0.00 0.00 34.95 35.97 3kbt s ARG 1021CO -0.00 -0.63 0.00 0.45 0.02 0.00 0.00 175.30 175.14 3kbt n SER 1022N -0.38 -2.35 -3.35 0.23 2.88 -1.26 -5.01 113.62 104.38 3kbt n SER 1022Ca -0.11 0.70 -0.09 0.00 -1.33 0.00 0.00 58.87 58.04 3kbt n SER 1022Cb 0.63 2.30 -0.00 0.00 -0.75 0.00 0.00 64.21 66.38 3kbt n SER 1022CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 3kbt s GLY 1025N -3.27 0.33 0.25 0.46 0.00 -1.26 -5.09 107.32 98.74 3kbt s GLY 1025Ca 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 44.72 44.04 3kbt s GLY 1025CO 0.00 -0.33 0.00 1.18 0.00 0.00 0.00 173.10 173.95 3kbt n GLU 1026N -0.50 0.00 0.21 2.90 4.71 -1.26 -4.91 120.64 121.79 3kbt n GLU 1026Ca -0.06 0.00 0.14 0.00 -0.01 0.00 0.00 57.16 57.23 3kbt n GLU 1026Cb 0.60 0.00 0.41 0.00 -1.01 0.00 0.00 31.44 31.44 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 -0.34 1.62 0.87 -2.06 -3.20 113.55 110.44 3kbt h SER 1027Ca 0.00 0.00 0.07 0.00 -1.23 0.00 0.00 61.79 60.63 3kbt h SER 1027Cb 0.00 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 61.94 3kbt h SER 1027CO 0.00 0.00 0.24 1.88 -0.53 0.00 0.00 176.83 178.42 3kbt h TYR 1028N 0.00 0.16 -0.82 2.24 0.05 -1.99 -3.31 116.97 113.31 3kbt h TYR 1028Ca 0.00 0.00 0.08 0.00 0.05 0.00 0.00 58.73 58.86 3kbt h TYR 1028Cb 0.72 -0.05 -0.11 0.00 1.01 0.00 0.00 36.73 38.30 3kbt h TYR 1028CO 0.00 0.08 -0.57 -0.07 -1.05 0.00 0.00 178.16 176.55 3kbt h LEU 1029N 0.16 -2.05 -1.13 3.88 3.38 -1.94 0.11 115.31 117.72 3kbt h LEU 1029Ca 0.16 0.30 0.12 0.00 0.09 0.00 0.00 57.88 58.55 3kbt h LEU 1029Cb 0.42 0.89 -0.07 0.00 0.09 0.00 0.00 40.66 41.99 3kbt h LEU 1029CO -0.02 -0.29 0.60 -0.78 0.09 0.00 0.00 178.44 178.04 3kbt h ASP 1030N -0.12 0.83 0.43 -0.43 3.58 -1.86 -3.00 116.42 115.84 3kbt h ASP 1030Ca 0.14 0.04 -0.02 0.00 0.42 0.00 0.00 57.03 57.61 3kbt h ASP 1030Cb 0.47 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 41.40 3kbt h ASP 1030CO -0.83 0.45 -0.21 -0.61 -2.88 0.00 0.00 179.24 175.16 3kbt h GLN 1031N 0.90 -0.56 -0.15 0.28 4.15 -1.06 -3.35 115.11 115.32 3kbt h GLN 1031Ca 0.46 0.04 0.04 0.00 0.77 0.00 0.00 58.65 59.96 3kbt h GLN 1031Cb 0.51 0.13 -0.01 0.00 0.21 0.00 0.00 27.48 28.32 3kbt h GLN 1031CO -0.22 -0.37 0.17 -0.84 -1.93 0.00 0.00 178.83 175.63 3kbt h ILE 1032N -0.87 0.49 0.00 2.39 3.07 -1.02 -0.18 117.51 121.38 3kbt h ILE 1032Ca -0.06 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.35 3kbt h ILE 1032Cb 0.44 0.87 0.00 0.00 -0.27 0.00 0.00 36.82 37.86 3kbt h ILE 1032CO 0.10 0.00 0.00 -0.07 -1.05 0.00 0.00 178.15 177.13 3kbt h LEU 1033N 0.00 0.00 -1.06 0.16 3.38 -1.66 -3.44 115.31 112.69 3kbt h LEU 1033Ca 0.07 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.46 3kbt h LEU 1033Cb 0.40 0.00 -0.31 0.00 0.09 0.00 0.00 40.66 40.84 3kbt h LEU 1033CO -0.00 0.00 -0.86 0.59 0.09 0.00 0.00 178.44 178.26 3kbt n ASN 1034N -2.49 -2.37 0.00 -0.43 3.02 -0.08 -1.26 115.26 111.65 3kbt n ASN 1034Ca -0.01 -1.11 0.00 0.00 -0.03 0.00 0.00 54.58 53.43 3kbt n ASN 1034Cb 0.09 -2.01 0.00 0.00 -0.61 0.00 0.00 39.78 37.26 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 -1.16 0.52 3.73 7.41 0.00 -1.26 -4.63 105.19 109.80 3kbt n GLY 1035Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 3kbt n GLY 1035CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 3kbt n MET 1036N -2.00 2.74 -1.58 1.61 0.00 -0.39 -4.89 117.12 112.60 3kbt n MET 1036Ca 0.00 0.98 -0.41 0.00 0.00 0.00 0.00 57.70 58.27 3kbt n MET 1036Cb 0.00 -2.80 -0.01 0.00 0.00 0.00 0.00 33.22 30.41 3kbt n MET 1036CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 175.97 172.50 3kbt n ASP 1037N 3.20 5.66 -4.16 6.12 -0.08 -1.26 -4.91 116.55 121.12 3kbt n ASP 1037Ca 0.13 -2.75 -0.26 0.00 -1.51 0.00 0.00 54.79 50.41 3kbt n ASP 1037Cb 0.35 -1.62 -0.16 0.00 2.34 0.00 0.00 41.12 42.04 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 2.80 1.65 -1.13 -0.67 0.41 -1.26 -5.09 118.70 115.42 3kbt s GLU 1038Ca 0.55 -0.63 -0.09 0.00 -0.41 0.00 0.00 54.97 54.39 3kbt s GLU 1038Cb 0.15 -1.50 0.27 0.00 -1.78 0.00 0.00 34.13 31.28 3kbt s GLU 1038CO -0.08 0.31 1.19 0.39 -0.49 0.00 0.00 175.26 176.58 3kbt n GLU 1039N 2.91 3.62 -1.80 1.61 1.02 -1.26 -5.03 120.64 121.71 3kbt n GLU 1039Ca -0.17 -4.41 -0.40 0.00 -0.02 0.00 0.00 57.16 52.16 3kbt n GLU 1039Cb 0.53 -2.59 0.01 0.00 -0.02 0.00 0.00 31.44 29.37 3kbt n GLU 1039CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3kbt s LEU 1040N -1.17 4.23 0.66 -4.62 1.43 -1.26 -4.99 118.68 112.95 3kbt s LEU 1040Ca 0.32 2.99 -0.13 0.00 -1.03 0.00 0.00 54.13 56.29 3kbt s LEU 1040Cb -0.08 -3.79 -0.00 0.00 0.03 0.00 0.00 46.19 42.35 3kbt s LEU 1040CO -0.06 -1.01 1.06 -0.83 0.23 0.00 0.00 176.35 175.75 3kbt s GLY 1041N -0.31 1.85 0.32 -3.19 0.00 -1.26 -5.04 107.32 99.69 3kbt s GLY 1041Ca 0.56 0.22 -0.28 0.00 0.00 0.00 0.00 44.72 45.22 3kbt s GLY 1041CO 0.60 0.54 1.20 -1.35 0.00 0.00 0.00 173.10 174.08 3kbt s SER 1042N -3.37 6.95 0.38 1.64 1.04 -1.26 -4.93 113.70 114.15 3kbt s SER 1042Ca 0.60 2.45 0.14 0.00 0.48 0.00 0.00 55.95 59.63 3kbt s SER 1042Cb -0.15 -2.63 0.97 0.00 0.10 0.00 0.00 66.02 64.31 3kbt s SER 1042CO 0.48 -0.38 1.81 0.25 0.98 0.00 0.00 173.24 176.38 3kbt h LEU 1043N 3.46 0.54 -0.63 2.42 5.85 -2.00 0.18 115.31 125.12 3kbt h LEU 1043Ca -0.48 0.07 -0.07 0.00 0.84 0.00 0.00 57.88 58.23 3kbt h LEU 1043Cb 1.22 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 42.20 3kbt h LEU 1043CO 0.66 0.19 0.11 -0.33 -0.34 0.00 0.00 178.44 178.72 3kbt h GLU 1044N 0.52 1.04 -0.10 1.25 4.39 -2.00 -2.37 114.58 117.31 3kbt h GLU 1044Ca 0.53 -0.28 -0.05 0.00 0.34 0.00 0.00 59.36 59.90 3kbt h GLU 1044Cb 1.14 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.66 3kbt h GLU 1044CO -0.26 0.97 -0.18 1.49 -1.16 0.00 0.00 179.01 179.86 3kbt h GLU 1045N 0.96 0.16 -0.42 2.33 4.81 -1.04 -2.60 114.58 118.78 3kbt h GLU 1045Ca 0.19 -0.04 -0.07 0.00 -0.13 0.00 0.00 59.36 59.31 3kbt h GLU 1045Cb 0.43 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.77 3kbt h GLU 1045CO 0.01 0.35 -0.03 -0.07 -0.73 0.00 0.00 179.01 178.55 3kbt h LEU 1046N 0.16 0.75 -1.80 1.64 4.07 -1.19 -2.85 115.31 116.08 3kbt h LEU 1046Ca 0.03 -0.32 -0.01 0.00 0.08 0.00 0.00 57.88 57.66 3kbt h LEU 1046Cb 0.42 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 41.95 3kbt h LEU 1046CO 0.03 0.89 0.01 -0.08 -1.08 0.00 0.00 178.44 178.21 3kbt h GLU 1047N 0.59 0.13 0.15 1.13 4.81 -1.06 0.13 114.58 120.47 3kbt h GLU 1047Ca 0.12 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.33 3kbt h GLU 1047Cb 0.52 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.88 3kbt h GLU 1047CO 0.03 0.14 -0.07 -0.22 -0.73 0.00 0.00 179.01 178.15 3kbt h LYS 1048N 0.13 -0.20 0.00 1.92 3.64 -1.36 -3.09 116.57 117.61 3kbt h LYS 1048Ca 0.03 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 3kbt h LYS 1048Cb 0.08 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 3kbt h LYS 1048CO 0.00 0.19 0.00 1.63 -2.27 0.00 0.00 179.45 179.00 3kbt n LYS 1049N -4.99 0.70 -3.27 1.90 5.02 -1.09 -4.95 118.16 111.48 3kbt n LYS 1049Ca -0.09 0.01 -0.11 0.00 -2.02 0.00 0.00 58.31 56.11 3kbt n LYS 1049Cb 0.25 -1.50 0.03 0.00 -0.02 0.00 0.00 35.03 33.79 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 -1.10 -1.60 -4.57 1.97 1.74 0.34 -4.87 116.66 108.57 3kbt n ARG 1050Ca 0.18 1.10 -0.21 0.00 -0.77 0.00 0.00 57.85 58.15 3kbt n ARG 1050Cb 0.13 -5.25 -0.15 0.00 -1.02 0.00 0.00 32.46 26.18 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 -3.18 0.99 -0.12 1.55 1.01 -0.42 -1.45 120.40 118.79 3kbt s VAL 1051Ca 0.20 -0.53 -0.07 0.00 0.00 0.00 0.00 61.98 61.58 3kbt s VAL 1051Cb -0.04 -0.83 -0.04 0.00 0.00 0.00 0.00 36.38 35.47 3kbt s VAL 1051CO 0.78 0.28 0.14 0.00 0.00 0.00 0.00 175.10 176.30 3kbt s ARG 1053N -1.01 3.38 -0.19 0.00 3.52 -1.26 0.16 118.95 123.54 3kbt s ARG 1053Ca 0.15 -0.69 -0.06 0.00 -0.13 0.00 0.00 55.73 55.00 3kbt s ARG 1053Cb -0.12 -3.52 -0.03 0.00 -1.56 0.00 0.00 34.95 29.71 3kbt s ARG 1053CO 0.04 -0.38 0.04 0.42 -0.81 0.00 0.00 175.30 174.61 3kbt s ILE 1054N 1.61 4.44 -0.20 4.11 1.01 0.43 -4.99 121.20 127.60 3kbt s ILE 1054Ca 0.05 -0.15 -0.02 0.00 0.00 0.00 0.00 60.65 60.52 3kbt s ILE 1054Cb -0.17 -3.00 -0.00 0.00 0.01 0.00 0.00 42.46 39.30 3kbt s ILE 1054CO 0.06 0.44 -0.10 -0.63 0.00 0.00 0.00 174.94 174.71 3kbt s ILE 1055N 0.68 3.00 0.02 2.92 1.01 -1.26 -1.17 121.20 126.41 3kbt s ILE 1055Ca 0.02 -0.63 -0.05 0.00 0.00 0.00 0.00 60.65 59.99 3kbt s ILE 1055Cb -0.14 -2.33 -0.01 0.00 0.01 0.00 0.00 42.46 40.00 3kbt s ILE 1055CO 0.02 0.47 0.08 0.28 0.00 0.00 0.00 174.94 175.78 3kbt s THR 1056N 1.24 0.12 -1.91 2.92 -1.32 -0.43 -4.59 115.64 111.67 3kbt s THR 1056Ca 0.03 -0.97 0.19 0.00 -1.21 0.00 0.00 61.69 59.73 3kbt s THR 1056Cb -0.14 -0.65 0.03 0.00 -1.51 0.00 0.00 72.50 70.23 3kbt s THR 1056CO -0.04 -0.53 1.00 0.35 -2.21 0.00 0.00 174.62 173.19 3kbt n THR 1057N 1.12 0.00 -3.68 5.08 -2.24 -1.26 0.19 114.28 113.48 3kbt n THR 1057Ca -0.21 -0.35 -0.11 0.00 -2.27 0.00 0.00 64.05 61.11 3kbt n THR 1057Cb 0.57 1.27 -0.06 0.00 -2.10 0.00 0.00 70.33 70.01 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 -2.05 -0.20 -0.26 3.42 1.47 -1.26 -0.66 116.67 117.12 3kbt s ASP 1058Ca 0.17 -0.22 -0.13 0.00 1.18 0.00 0.00 52.55 53.56 3kbt s ASP 1058Cb 0.16 0.43 -0.04 0.00 -0.34 0.00 0.00 42.92 43.12 3kbt s ASP 1058CO 0.43 -0.74 0.27 -0.36 0.68 0.00 0.00 175.17 175.45 3kbt s PHE 1059N -3.17 3.25 0.67 2.11 0.08 -0.82 -5.00 117.98 115.10 3kbt s PHE 1059Ca -0.01 0.28 -0.07 0.00 0.12 0.00 0.00 56.93 57.26 3kbt s PHE 1059Cb 0.01 -2.45 0.04 0.00 -0.57 0.00 0.00 43.02 40.05 3kbt s PHE 1059CO -0.07 -0.15 0.98 -1.25 -0.10 0.00 0.00 175.22 174.64 3kbt s PRO 1060N 1.75 2.44 0.15 0.24 0.04 -1.26 -1.80 135.00 136.56 3kbt s PRO 1060Ca 0.11 -0.15 -0.27 0.00 0.04 0.00 0.00 61.00 60.73 3kbt s PRO 1060Cb -0.15 -2.19 -0.01 0.00 0.04 0.00 0.00 34.50 32.18 3kbt s PRO 1060CO 0.09 -1.07 1.58 1.25 0.04 0.00 0.00 177.00 178.90 3kbt h LEU 1061N -0.47 -1.29 -8.41 -3.56 5.85 -1.31 -3.41 115.31 102.70 3kbt h LEU 1061Ca -0.45 0.19 -0.43 0.00 0.84 0.00 0.00 57.88 58.03 3kbt h LEU 1061Cb 1.30 0.56 -0.22 0.00 0.37 0.00 0.00 40.66 42.66 3kbt h LEU 1061CO 0.61 -0.37 -0.79 -0.31 -0.34 0.00 0.00 178.44 177.23 3kbt s TYR 1062N -5.90 1.27 0.13 1.25 2.02 -1.11 -4.06 117.35 110.96 3kbt s TYR 1062Ca -0.15 -0.43 0.06 0.00 -0.37 0.00 0.00 57.07 56.18 3kbt s TYR 1062Cb 0.11 -0.72 -0.04 0.00 -0.40 0.00 0.00 41.96 40.91 3kbt s TYR 1062CO 0.66 0.06 -0.13 -0.06 -1.57 0.00 0.00 175.55 174.51 3kbt s PHE 1063N -1.16 1.39 0.02 2.71 0.08 -0.40 -1.12 117.98 119.51 3kbt s PHE 1063Ca -0.00 -0.60 -0.24 0.00 0.12 0.00 0.00 56.93 56.20 3kbt s PHE 1063Cb -0.09 -0.71 0.06 0.00 -0.57 0.00 0.00 43.02 41.70 3kbt s PHE 1063CO 0.02 0.15 0.55 0.54 -0.10 0.00 0.00 175.22 176.38 3kbt s VAL 1064N -2.48 0.02 -0.20 -0.44 0.11 0.76 -0.24 120.40 117.94 3kbt s VAL 1064Ca 0.12 -0.19 -0.05 0.00 -2.93 0.00 0.00 61.98 58.93 3kbt s VAL 1064Cb -0.03 -0.95 -0.03 0.00 -1.53 0.00 0.00 36.38 33.84 3kbt s VAL 1064CO 0.03 -0.10 0.01 -0.63 -3.33 0.00 0.00 175.10 171.07 3kbt s ILE 1065N -2.12 4.04 0.27 7.04 -1.09 -1.26 -1.36 121.20 126.71 3kbt s ILE 1065Ca -0.07 -0.28 0.06 0.00 -2.23 0.00 0.00 60.65 58.13 3kbt s ILE 1065Cb -0.01 -2.83 -0.06 0.00 -1.58 0.00 0.00 42.46 37.99 3kbt s ILE 1065CO 0.01 0.43 -0.06 0.00 -1.23 0.00 0.00 174.94 174.09 3kbt s MET 1066N 0.98 1.51 -0.05 2.79 0.23 -0.45 0.14 119.30 124.45 3kbt s MET 1066Ca 0.02 -1.76 0.03 0.00 -1.03 0.00 0.00 55.69 52.95 3kbt s MET 1066Cb -0.14 -1.09 0.01 0.00 -1.53 0.00 0.00 34.83 32.07 3kbt s MET 1066CO 0.02 0.04 -0.13 -1.54 -2.03 0.00 0.00 175.02 171.37 3kbt s SER 1067N -3.42 1.78 0.00 -1.18 1.04 -0.04 -0.94 113.70 110.94 3kbt s SER 1067Ca 0.29 -0.29 0.00 0.00 0.48 0.00 0.00 55.95 56.42 3kbt s SER 1067Cb 0.04 -0.67 0.00 0.00 0.10 0.00 0.00 66.02 65.48 3kbt s SER 1067CO 0.11 0.07 0.38 -2.11 0.98 0.00 0.00 173.24 172.68