#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fe8 s ASP 922 N 0.00 1.89 0.00 2.55 -1.08 -1.26 0.46 116.67 119.22 1fe8 s ASP 922 Ca 0.00 -0.25 0.00 0.00 -0.52 0.00 0.00 52.55 51.78 1fe8 s ASP 922 Cb 0.00 -0.74 0.00 0.00 -1.46 0.00 0.00 42.92 40.72 1fe8 s ASP 922 CO 0.00 -0.10 0.91 0.00 0.52 0.00 0.00 175.17 176.50 1fe8 n SER 924 N -1.41 3.37 -4.65 0.00 3.41 -1.26 -4.78 113.62 108.31 1fe8 n SER 924 Ca 0.00 -1.95 -0.24 0.00 -0.26 0.00 0.00 58.87 56.42 1fe8 n SER 924 Cb 0.03 -0.30 -0.07 0.00 -0.26 0.00 0.00 64.21 63.61 1fe8 n SER 924 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1fe8 s GLN 925 N -1.18 2.31 -0.04 4.33 -1.52 0.10 -4.87 119.66 118.79 1fe8 s GLN 925 Ca 0.36 -1.32 -0.34 0.00 -1.95 0.00 0.00 55.36 52.11 1fe8 s GLN 925 Cb 0.20 -2.22 -0.12 0.00 -0.22 0.00 0.00 33.01 30.66 1fe8 s GLN 925 CO 0.27 0.39 1.85 -2.30 -0.25 0.00 0.00 175.29 175.26 1fe8 n PRO 926 N -0.63 2.24 -3.81 2.91 -0.02 -1.15 -4.55 135.00 130.00 1fe8 n PRO 926 Ca -0.08 0.82 -0.22 0.00 -2.02 0.00 0.00 63.50 62.00 1fe8 n PRO 926 Cb 0.58 -2.67 -0.17 0.00 -0.02 0.00 0.00 33.50 31.22 1fe8 n PRO 926 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1fe8 s LEU 927 N 3.68 0.67 -0.28 2.45 2.96 -0.39 -0.93 118.68 126.85 1fe8 s LEU 927 Ca 0.91 -0.08 -0.12 0.00 -0.22 0.00 0.00 54.13 54.61 1fe8 s LEU 927 Cb -0.67 -0.43 -0.05 0.00 0.50 0.00 0.00 46.19 45.54 1fe8 s LEU 927 CO 0.49 -0.18 0.23 -1.81 -1.32 0.00 0.00 176.35 173.76 1fe8 s ASP 928 N 1.85 6.07 -0.03 3.68 1.01 -0.14 -0.84 116.67 128.28 1fe8 s ASP 928 Ca 0.03 0.06 0.05 0.00 0.71 0.00 0.00 52.55 53.40 1fe8 s ASP 928 Cb -0.12 -2.14 -0.01 0.00 1.01 0.00 0.00 42.92 41.66 1fe8 s ASP 928 CO -0.05 -0.08 -0.19 0.54 0.21 0.00 0.00 175.17 175.61 1fe8 s VAL 929 N 1.81 1.56 -0.11 -1.27 0.11 -0.60 -1.67 120.40 120.23 1fe8 s VAL 929 Ca 0.09 -0.81 -0.01 0.00 -2.93 0.00 0.00 61.98 58.31 1fe8 s VAL 929 Cb -0.16 -1.32 -0.03 0.00 -1.53 0.00 0.00 36.38 33.34 1fe8 s VAL 929 CO 0.11 0.44 -0.06 -0.63 -3.33 0.00 0.00 175.10 171.63 1fe8 s ILE 930 N -0.18 3.74 -0.42 7.04 1.01 0.26 -2.05 121.20 130.60 1fe8 s ILE 930 Ca 0.00 -0.44 -0.09 0.00 0.00 0.00 0.00 60.65 60.12 1fe8 s ILE 930 Cb -0.10 -2.58 0.08 0.00 0.01 0.00 0.00 42.46 39.86 1fe8 s ILE 930 CO 0.01 0.55 0.27 -0.76 0.00 0.00 0.00 174.94 175.01 1fe8 s LEU 931 N -0.21 5.21 -0.54 2.97 1.43 -0.53 -0.30 118.68 126.72 1fe8 s LEU 931 Ca 0.03 -1.53 -0.17 0.00 -1.03 0.00 0.00 54.13 51.43 1fe8 s LEU 931 Cb -0.13 -2.00 0.11 0.00 0.03 0.00 0.00 46.19 44.20 1fe8 s LEU 931 CO 0.03 -0.55 0.55 -0.22 0.23 0.00 0.00 176.35 176.38 1fe8 s LEU 932 N 1.43 5.77 0.42 1.79 2.96 0.71 -1.34 118.68 130.42 1fe8 s LEU 932 Ca 0.03 -1.54 -0.17 0.00 -0.22 0.00 0.00 54.13 52.24 1fe8 s LEU 932 Cb -0.23 -2.25 -0.09 0.00 0.50 0.00 0.00 46.19 44.12 1fe8 s LEU 932 CO 0.02 -0.89 0.88 -0.76 -1.32 0.00 0.00 176.35 174.28 1fe8 s LEU 933 N 1.98 3.86 -0.30 -0.68 1.02 0.25 -1.27 118.68 123.55 1fe8 s LEU 933 Ca 0.06 1.47 -0.25 0.00 0.02 0.00 0.00 54.13 55.44 1fe8 s LEU 933 Cb -0.27 -4.34 0.00 0.00 0.02 0.00 0.00 46.19 41.60 1fe8 s LEU 933 CO 0.05 -0.39 0.85 -0.62 0.02 0.00 0.00 176.35 176.26 1fe8 s ASP 934 N -2.60 6.74 -0.16 2.29 -1.08 -1.26 -1.54 116.67 119.06 1fe8 s ASP 934 Ca 0.58 0.78 0.17 0.00 -0.52 0.00 0.00 52.55 53.56 1fe8 s ASP 934 Cb -0.10 -2.44 0.42 0.00 -1.46 0.00 0.00 42.92 39.34 1fe8 s ASP 934 CO 0.22 -0.65 1.29 0.61 0.52 0.00 0.00 175.17 177.16 1fe8 n GLY 935 N 4.07 4.53 3.79 2.66 0.00 0.70 -4.86 105.19 116.09 1fe8 n GLY 935 Ca 0.06 -1.11 -0.33 0.00 0.00 0.00 0.00 46.02 44.63 1fe8 n GLY 935 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1fe8 s SER 936 N -2.46 5.81 0.00 1.61 1.04 -1.06 0.37 113.70 119.01 1fe8 s SER 936 Ca 0.38 1.90 0.19 0.00 0.48 0.00 0.00 55.95 58.90 1fe8 s SER 936 Cb 0.32 -2.55 0.91 0.00 0.10 0.00 0.00 66.02 64.80 1fe8 s SER 936 CO 0.05 -1.15 1.59 -1.20 0.98 0.00 0.00 173.24 173.51 1fe8 n SER 937 N -1.77 0.00 -0.29 7.02 7.64 -0.14 -4.10 113.62 121.98 1fe8 n SER 937 Ca 0.09 0.18 -0.05 0.00 1.01 0.00 0.00 58.87 60.10 1fe8 n SER 937 Cb 0.52 -0.36 0.07 0.00 -1.01 0.00 0.00 64.21 63.43 1fe8 n SER 937 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1fe8 h SER 938 N 0.00 0.94 -2.54 6.43 4.64 -1.93 -3.46 113.55 117.64 1fe8 h SER 938 Ca 0.00 -0.07 -0.44 0.00 -0.47 0.00 0.00 61.79 60.81 1fe8 h SER 938 Cb 0.23 -0.24 0.04 0.00 -0.31 0.00 0.00 62.40 62.12 1fe8 h SER 938 CO 0.00 0.73 -0.05 0.72 -0.87 0.00 0.00 176.83 177.36 1fe8 s PHE 939 N -5.97 2.92 0.19 4.77 -0.12 -1.26 -5.04 117.98 113.46 1fe8 s PHE 939 Ca -0.13 0.02 -0.31 0.00 -0.05 0.00 0.00 56.93 56.46 1fe8 s PHE 939 Cb 0.15 -2.68 -0.10 0.00 -0.63 0.00 0.00 43.02 39.76 1fe8 s PHE 939 CO 0.80 -0.79 1.53 -2.14 -0.05 0.00 0.00 175.22 174.57 1fe8 s PRO 940 N -4.72 4.23 0.31 1.99 0.02 -1.26 -4.90 135.00 130.66 1fe8 s PRO 940 Ca 0.56 2.34 0.07 0.00 0.02 0.00 0.00 61.00 63.99 1fe8 s PRO 940 Cb -0.10 -3.14 0.83 0.00 0.02 0.00 0.00 34.50 32.10 1fe8 s PRO 940 CO 0.38 -0.56 1.69 0.00 -0.33 0.00 0.00 177.00 178.19 1fe8 h ALA 941 N 6.32 1.59 -0.20 -1.55 0.00 -1.96 -0.75 119.26 122.71 1fe8 h ALA 941 Ca -0.43 0.17 0.06 0.00 0.00 0.00 0.00 54.91 54.70 1fe8 h ALA 941 Cb 1.21 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 1fe8 h ALA 941 CO 0.88 -0.39 0.32 0.66 0.00 0.00 0.00 179.25 180.72 1fe8 h SER 942 N 0.40 0.00 -0.82 0.00 4.64 -2.04 -0.90 113.55 114.83 1fe8 h SER 942 Ca 0.61 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.89 1fe8 h SER 942 Cb 1.22 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.27 1fe8 h SER 942 CO -0.55 0.00 0.37 1.88 -0.87 0.00 0.00 176.83 177.66 1fe8 h TYR 943 N 0.00 1.20 -0.76 4.77 -1.99 -1.51 -3.13 116.97 115.55 1fe8 h TYR 943 Ca 0.09 -0.07 0.12 0.00 2.00 0.00 0.00 58.73 60.87 1fe8 h TYR 943 Cb 0.73 -0.37 -0.08 0.00 2.00 0.00 0.00 36.73 39.01 1fe8 h TYR 943 CO 0.00 0.89 0.36 0.35 -0.00 0.00 0.00 178.16 179.76 1fe8 h PHE 944 N 1.18 0.64 -0.52 4.88 3.57 -1.33 0.57 116.94 125.92 1fe8 h PHE 944 Ca 0.28 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.83 1fe8 h PHE 944 Cb 0.16 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 38.70 1fe8 h PHE 944 CO 0.02 0.18 0.35 -0.44 -2.23 0.00 0.00 178.31 176.18 1fe8 h ASP 945 N 0.57 0.54 0.00 0.41 3.32 -1.70 0.15 116.42 119.71 1fe8 h ASP 945 Ca 0.40 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.44 1fe8 h ASP 945 Cb 0.51 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.93 1fe8 h ASP 945 CO -0.33 0.38 0.00 -0.62 -1.72 0.00 0.00 179.24 176.95 1fe8 n GLU 946 N -4.47 0.42 0.00 3.56 -0.58 0.19 -0.67 120.64 119.09 1fe8 n GLU 946 Ca 0.06 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.80 1fe8 n GLU 946 Cb 0.11 -1.27 0.00 0.00 -0.57 0.00 0.00 31.44 29.71 1fe8 n GLU 946 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1fe8 n LYS 948 N 0.68 0.00 -0.06 3.49 5.02 0.52 -0.67 118.16 127.14 1fe8 n LYS 948 Ca 0.00 0.00 0.01 0.00 -2.02 0.00 0.00 58.31 56.30 1fe8 n LYS 948 Cb 0.19 0.00 0.30 0.00 -0.02 0.00 0.00 35.03 35.50 1fe8 n LYS 948 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1fe8 h SER 949 N 0.00 0.60 -0.27 4.39 0.87 -1.13 0.96 113.55 118.96 1fe8 h SER 949 Ca 0.00 -0.07 -0.05 0.00 -1.23 0.00 0.00 61.79 60.44 1fe8 h SER 949 Cb 0.00 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 61.80 1fe8 h SER 949 CO 0.00 0.55 -0.03 0.15 -0.53 0.00 0.00 176.83 176.97 1fe8 h PHE 950 N 0.66 0.56 -0.79 2.24 3.57 -1.14 -1.47 116.94 120.57 1fe8 h PHE 950 Ca 0.16 -0.11 -0.01 0.00 3.53 0.00 0.00 57.97 61.54 1fe8 h PHE 950 Cb 0.14 -0.14 -0.04 0.00 2.79 0.00 0.00 35.95 38.70 1fe8 h PHE 950 CO 0.01 0.69 0.46 0.00 -2.23 0.00 0.00 178.31 177.24 1fe8 h ALA 951 N 0.80 1.01 -0.38 2.41 0.00 -1.60 -1.32 119.26 120.18 1fe8 h ALA 951 Ca 0.07 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 1fe8 h ALA 951 Cb 0.49 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1fe8 h ALA 951 CO 0.02 0.49 0.06 0.87 0.00 0.00 0.00 179.25 180.68 1fe8 h LYS 952 N 1.08 0.63 -0.76 0.00 1.57 -0.73 -0.95 116.57 117.41 1fe8 h LYS 952 Ca 0.28 -0.17 -0.06 0.00 -1.87 0.00 0.00 60.65 58.83 1fe8 h LYS 952 Cb -0.02 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.19 1fe8 h LYS 952 CO -0.05 0.69 0.25 0.00 -0.57 0.00 0.00 179.45 179.77 1fe8 h ALA 953 N 0.91 1.00 0.11 3.86 0.00 -1.09 0.17 119.26 124.22 1fe8 h ALA 953 Ca 0.11 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1fe8 h ALA 953 Cb 0.37 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1fe8 h ALA 953 CO 0.01 0.67 -0.05 0.35 0.00 0.00 0.00 179.25 180.23 1fe8 h PHE 954 N 1.13 -0.13 -0.54 0.00 3.04 -1.06 -1.64 116.94 117.75 1fe8 h PHE 954 Ca 0.25 -0.00 0.02 0.00 3.98 0.00 0.00 57.97 62.21 1fe8 h PHE 954 Cb 0.29 0.04 -0.03 0.00 2.56 0.00 0.00 35.95 38.81 1fe8 h PHE 954 CO 0.03 -0.04 0.34 0.82 -2.02 0.00 0.00 178.31 177.44 1fe8 h ILE 955 N -0.20 1.10 -0.84 1.41 2.04 -0.93 0.35 117.51 120.44 1fe8 h ILE 955 Ca -0.01 -0.23 0.10 0.00 1.00 0.00 0.00 64.86 65.71 1fe8 h ILE 955 Cb 0.16 0.35 -0.06 0.00 -0.74 0.00 0.00 36.82 36.53 1fe8 h ILE 955 CO 0.02 0.12 0.54 0.28 0.00 0.00 0.00 178.15 179.12 1fe8 h SER 956 N 0.68 0.71 0.44 1.72 0.02 -0.44 -2.06 113.55 114.63 1fe8 h SER 956 Ca 0.21 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.18 1fe8 h SER 956 Cb -0.03 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.39 1fe8 h SER 956 CO -0.07 0.42 -1.13 0.29 -1.14 0.00 0.00 176.83 175.20 1fe8 n LYS 957 N -4.52 0.36 -1.49 3.45 5.02 -0.64 -4.96 118.16 115.38 1fe8 n LYS 957 Ca 0.14 -0.01 -0.36 0.00 -2.02 0.00 0.00 58.31 56.07 1fe8 n LYS 957 Cb 0.33 -1.61 0.09 0.00 -0.02 0.00 0.00 35.03 33.82 1fe8 n LYS 957 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1fe8 n ALA 958 N -1.91 0.69 -2.42 7.82 0.00 0.12 -4.89 120.51 119.92 1fe8 n ALA 958 Ca 0.01 -0.13 -0.42 0.00 0.00 0.00 0.00 53.44 52.90 1fe8 n ALA 958 Cb 0.46 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 17.62 1fe8 n ALA 958 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1fe8 n ASN 959 N -2.42 5.62 -4.80 0.00 4.05 -1.26 -5.00 115.26 111.44 1fe8 n ASN 959 Ca 0.15 -3.18 -0.32 0.00 0.45 0.00 0.00 54.58 51.68 1fe8 n ASN 959 Cb 0.49 -1.43 0.02 0.00 1.23 0.00 0.00 39.78 40.09 1fe8 n ASN 959 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 1fe8 s ILE 960 N -0.38 3.82 0.00 -1.44 -1.09 -1.26 -1.47 121.20 119.38 1fe8 s ILE 960 Ca 0.39 0.81 0.00 0.00 -2.23 0.00 0.00 60.65 59.62 1fe8 s ILE 960 Cb 0.10 -3.37 0.00 0.00 -1.58 0.00 0.00 42.46 37.61 1fe8 s ILE 960 CO 0.01 -0.57 0.00 0.61 -1.23 0.00 0.00 174.94 173.76 1fe8 n GLY 961 N -1.16 2.28 3.64 6.18 0.00 -1.21 -4.78 105.19 110.13 1fe8 n GLY 961 Ca 0.09 -2.03 -0.48 0.00 0.00 0.00 0.00 46.02 43.59 1fe8 n GLY 961 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1fe8 n PRO 962 N -1.43 1.76 -1.13 1.61 -0.04 -1.26 -1.73 135.00 132.79 1fe8 n PRO 962 Ca 0.00 0.64 -0.04 0.00 -0.04 0.00 0.00 63.50 64.05 1fe8 n PRO 962 Cb 0.00 -2.35 -0.02 0.00 -0.04 0.00 0.00 33.50 31.09 1fe8 n PRO 962 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1fe8 n ARG 963 N 2.99 -1.32 0.00 0.54 5.12 -1.26 -4.91 116.66 117.82 1fe8 n ARG 963 Ca 0.17 0.55 0.00 0.00 -1.93 0.00 0.00 57.85 56.64 1fe8 n ARG 963 Cb 0.25 -4.64 0.00 0.00 -1.16 0.00 0.00 32.46 26.91 1fe8 n ARG 963 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1fe8 n LEU 964 N -0.49 0.00 -4.76 0.55 4.77 -0.71 -2.91 117.00 113.46 1fe8 n LEU 964 Ca -0.04 0.00 -0.38 0.00 -0.03 0.00 0.00 56.01 55.56 1fe8 n LEU 964 Cb 0.40 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.43 1fe8 n LEU 964 CO 0.07 0.00 0.17 -0.89 -1.33 0.00 0.00 177.39 175.41 1fe8 s THR 965 N 4.00 5.09 -0.11 -5.08 2.01 -0.54 -1.26 115.64 119.76 1fe8 s THR 965 Ca 0.00 0.97 0.03 0.00 0.31 0.00 0.00 61.69 62.99 1fe8 s THR 965 Cb 0.00 -3.81 -0.01 0.00 0.01 0.00 0.00 72.50 68.70 1fe8 s THR 965 CO 0.00 0.41 -0.20 -1.58 -0.69 0.00 0.00 174.62 172.56 1fe8 s GLN 966 N 0.04 3.12 -0.07 4.92 0.74 -0.02 -3.30 119.66 125.09 1fe8 s GLN 966 Ca 0.26 -0.81 0.05 0.00 0.05 0.00 0.00 55.36 54.92 1fe8 s GLN 966 Cb -0.16 -2.41 -0.01 0.00 1.10 0.00 0.00 33.01 31.53 1fe8 s GLN 966 CO 0.12 0.22 -0.24 0.08 -0.55 0.00 0.00 175.29 174.91 1fe8 s VAL 967 N 0.28 2.03 0.20 1.34 1.01 -1.26 -1.56 120.40 122.44 1fe8 s VAL 967 Ca -0.14 -1.04 0.10 0.00 0.00 0.00 0.00 61.98 60.90 1fe8 s VAL 967 Cb -0.17 -1.73 -0.04 0.00 0.00 0.00 0.00 36.38 34.43 1fe8 s VAL 967 CO 0.07 0.56 -0.21 -0.94 0.00 0.00 0.00 175.10 174.59 1fe8 s SER 968 N 0.02 3.13 -0.09 3.32 1.04 -0.87 -4.79 113.70 115.45 1fe8 s SER 968 Ca -0.09 -0.89 0.01 0.00 0.48 0.00 0.00 55.95 55.46 1fe8 s SER 968 Cb -0.15 -0.22 0.02 0.00 0.10 0.00 0.00 66.02 65.77 1fe8 s SER 968 CO 0.05 0.04 -0.12 -0.69 0.98 0.00 0.00 173.24 173.50 1fe8 s VAL 969 N -1.99 1.24 0.33 5.02 1.01 0.58 -1.45 120.40 125.14 1fe8 s VAL 969 Ca 0.20 -0.50 0.04 0.00 0.00 0.00 0.00 61.98 61.73 1fe8 s VAL 969 Cb -0.06 -1.16 -0.06 0.00 0.00 0.00 0.00 36.38 35.09 1fe8 s VAL 969 CO 0.09 0.39 0.05 -0.76 0.00 0.00 0.00 175.10 174.87 1fe8 s LEU 970 N 1.00 2.25 -0.04 3.92 1.02 -0.45 -0.40 118.68 125.99 1fe8 s LEU 970 Ca -0.08 -1.36 -0.07 0.00 0.02 0.00 0.00 54.13 52.64 1fe8 s LEU 970 Cb -0.15 -0.43 0.01 0.00 0.02 0.00 0.00 46.19 45.64 1fe8 s LEU 970 CO -0.01 -0.58 0.18 0.00 0.02 0.00 0.00 176.35 175.96 1fe8 s GLN 971 N -3.87 0.36 0.09 1.70 -2.07 -0.69 -0.58 119.66 114.60 1fe8 s GLN 971 Ca 0.36 -0.05 0.06 0.00 -1.82 0.00 0.00 55.36 53.91 1fe8 s GLN 971 Cb 0.09 0.16 -0.04 0.00 -1.09 0.00 0.00 33.01 32.13 1fe8 s GLN 971 CO 0.15 -0.07 -0.08 1.52 -1.32 0.00 0.00 175.29 175.49 1fe8 s TYR 972 N -0.63 2.80 0.00 9.60 -0.85 -0.59 -1.57 117.35 126.12 1fe8 s TYR 972 Ca -0.07 -0.12 0.00 0.00 -0.52 0.00 0.00 57.07 56.36 1fe8 s TYR 972 Cb -0.04 -1.47 0.00 0.00 0.38 0.00 0.00 41.96 40.82 1fe8 s TYR 972 CO 0.01 0.42 0.00 0.41 -1.52 0.00 0.00 175.55 174.88 1fe8 n GLY 973 N 0.80 0.64 0.25 5.49 0.00 -1.26 -0.21 105.19 110.90 1fe8 n GLY 973 Ca -0.13 0.44 0.04 0.00 0.00 0.00 0.00 46.02 46.36 1fe8 n GLY 973 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1fe8 h SER 974 N 0.00 0.20 -5.12 1.61 0.02 -1.55 -3.39 113.55 105.32 1fe8 h SER 974 Ca 0.00 -0.03 -0.08 0.00 -0.84 0.00 0.00 61.79 60.84 1fe8 h SER 974 Cb 0.00 -0.05 -0.14 0.00 0.14 0.00 0.00 62.40 62.34 1fe8 h SER 974 CO 0.00 0.30 -0.30 0.27 -1.14 0.00 0.00 176.83 175.95 1fe8 s ILE 975 N -4.88 0.12 -0.21 3.27 -4.36 -1.26 -4.99 121.20 108.89 1fe8 s ILE 975 Ca -0.06 -1.00 -0.19 0.00 -0.26 0.00 0.00 60.65 59.14 1fe8 s ILE 975 Cb 0.16 -1.24 -0.03 0.00 1.25 0.00 0.00 42.46 42.61 1fe8 s ILE 975 CO 0.72 -0.55 0.56 -0.89 0.24 0.00 0.00 174.94 175.02 1fe8 s THR 976 N -3.63 5.07 0.07 8.37 2.01 -1.26 -4.55 115.64 121.72 1fe8 s THR 976 Ca 0.03 1.04 0.09 0.00 0.31 0.00 0.00 61.69 63.16 1fe8 s THR 976 Cb 0.03 -3.88 -0.03 0.00 0.01 0.00 0.00 72.50 68.63 1fe8 s THR 976 CO -0.10 0.14 -0.22 0.42 -0.69 0.00 0.00 174.62 174.17 1fe8 s THR 977 N 1.81 2.50 -0.41 -0.82 -4.23 -0.61 -4.98 115.64 108.91 1fe8 s THR 977 Ca 0.26 -1.42 -0.15 0.00 -1.18 0.00 0.00 61.69 59.20 1fe8 s THR 977 Cb -0.16 -2.06 0.02 0.00 1.34 0.00 0.00 72.50 71.64 1fe8 s THR 977 CO 0.10 0.25 0.31 -0.63 -0.54 0.00 0.00 174.62 174.11 1fe8 s ILE 978 N -0.96 5.25 -0.07 2.99 1.01 -1.26 -1.70 121.20 126.45 1fe8 s ILE 978 Ca 0.14 -0.59 0.11 0.00 0.00 0.00 0.00 60.65 60.31 1fe8 s ILE 978 Cb -0.10 -3.92 -0.24 0.00 0.01 0.00 0.00 42.46 38.21 1fe8 s ILE 978 CO 0.05 -0.30 0.55 0.47 0.00 0.00 0.00 174.94 175.72 1fe8 n ASP 979 N 5.20 0.93 -3.69 3.58 8.00 0.47 -4.65 116.55 126.38 1fe8 n ASP 979 Ca -0.11 0.34 -0.30 0.00 0.71 0.00 0.00 54.79 55.44 1fe8 n ASP 979 Cb 0.47 -0.04 -0.14 0.00 -0.02 0.00 0.00 41.12 41.40 1fe8 n ASP 979 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1fe8 s VAL 980 N -2.58 0.97 0.96 2.53 1.01 -0.55 -4.88 120.40 117.85 1fe8 s VAL 980 Ca -0.08 -1.82 -0.14 0.00 0.00 0.00 0.00 61.98 59.95 1fe8 s VAL 980 Cb 0.08 -1.71 0.17 0.00 0.00 0.00 0.00 36.38 34.91 1fe8 s VAL 980 CO 0.82 -0.79 1.16 -2.16 0.00 0.00 0.00 175.10 174.13 1fe8 s PRO 981 N 1.13 0.76 0.81 2.72 0.04 -1.26 -0.31 135.00 138.89 1fe8 s PRO 981 Ca 0.13 0.16 -0.11 0.00 0.04 0.00 0.00 61.00 61.22 1fe8 s PRO 981 Cb -0.20 -1.81 0.08 0.00 0.04 0.00 0.00 34.50 32.61 1fe8 s PRO 981 CO -0.14 -2.43 1.13 -1.58 0.04 0.00 0.00 177.00 174.02 1fe8 s TRP 982 N -3.31 2.16 0.00 0.56 0.23 -1.26 -3.83 118.94 113.48 1fe8 s TRP 982 Ca 0.66 1.65 0.00 0.00 -2.03 0.00 0.00 56.10 56.38 1fe8 s TRP 982 Cb -0.13 -3.22 0.00 0.00 0.03 0.00 0.00 33.47 30.15 1fe8 s TRP 982 CO 0.54 -2.27 0.00 0.09 0.96 0.00 0.00 176.95 176.27 1fe8 n ASN 983 N -3.58 0.00 -4.70 2.95 5.03 -1.26 -4.94 115.26 108.76 1fe8 n ASN 983 Ca 0.11 0.00 -0.34 0.00 0.87 0.00 0.00 54.58 55.22 1fe8 n ASN 983 Cb 0.52 -0.66 0.12 0.00 -1.02 0.00 0.00 39.78 38.74 1fe8 n ASN 983 CO 0.00 0.00 0.00 0.68 -1.83 0.00 0.00 177.26 176.11 1fe8 s VAL 984 N -2.80 2.03 -0.36 2.41 -7.23 -1.25 -4.75 120.40 108.45 1fe8 s VAL 984 Ca 0.00 0.01 -0.43 0.00 -1.81 0.00 0.00 61.98 59.75 1fe8 s VAL 984 Cb 0.00 -2.50 -0.18 0.00 0.56 0.00 0.00 36.38 34.26 1fe8 s VAL 984 CO 0.00 -0.01 1.64 0.52 -0.31 0.00 0.00 175.10 176.94 1fe8 n VAL 985 N -3.10 0.15 -0.77 1.32 0.31 -1.26 -4.73 118.33 110.24 1fe8 n VAL 985 Ca 0.14 -0.03 -0.18 0.00 -0.01 0.00 0.00 64.34 64.26 1fe8 n VAL 985 Cb 0.50 -0.83 -0.06 0.00 -0.91 0.00 0.00 33.84 32.54 1fe8 n VAL 985 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1fe8 n PRO 986 N 4.52 1.95 -4.67 5.55 -0.04 -1.26 -4.62 135.00 136.44 1fe8 n PRO 986 Ca 0.28 -1.21 -0.33 0.00 -0.04 0.00 0.00 63.50 62.21 1fe8 n PRO 986 Cb 0.04 -2.23 -0.15 0.00 -0.04 0.00 0.00 33.50 31.12 1fe8 n PRO 986 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1fe8 s GLU 987 N 2.53 3.23 0.27 0.54 0.41 -1.26 -4.66 118.70 119.76 1fe8 s GLU 987 Ca 0.45 -0.75 -0.00 0.00 -0.41 0.00 0.00 54.97 54.25 1fe8 s GLU 987 Cb 0.16 -2.58 0.56 0.00 -1.78 0.00 0.00 34.13 30.48 1fe8 s GLU 987 CO -0.02 0.08 1.76 0.87 -0.49 0.00 0.00 175.26 177.45 1fe8 h LYS 988 N 7.11 0.60 -0.19 1.61 1.57 -1.94 0.16 116.57 125.49 1fe8 h LYS 988 Ca -0.29 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.44 1fe8 h LYS 988 Cb 1.20 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 33.37 1fe8 h LYS 988 CO 0.55 0.39 0.09 0.00 -0.57 0.00 0.00 179.45 179.91 1fe8 h ALA 989 N 1.57 1.80 0.00 3.86 0.00 -1.96 0.16 119.26 124.69 1fe8 h ALA 989 Ca 0.48 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.34 1fe8 h ALA 989 Cb 0.70 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1fe8 h ALA 989 CO -0.38 0.17 -0.00 1.25 0.00 0.00 0.00 179.25 180.29 1fe8 h HIS 990 N 0.26 -0.00 -0.63 0.00 -0.00 -1.04 -2.26 115.15 111.48 1fe8 h HIS 990 Ca 0.07 -0.00 0.01 0.00 -0.00 0.00 0.00 60.37 60.44 1fe8 h HIS 990 Cb 0.04 0.00 -0.03 0.00 -0.00 0.00 0.00 27.41 27.42 1fe8 h HIS 990 CO 0.00 0.59 0.41 -0.07 -0.00 0.00 0.00 177.93 178.87 1fe8 h LEU 991 N -0.60 0.72 -1.22 0.26 4.07 -0.80 -1.69 115.31 116.04 1fe8 h LEU 991 Ca -0.00 -0.02 0.01 0.00 0.08 0.00 0.00 57.88 57.95 1fe8 h LEU 991 Cb 0.60 -0.18 -0.04 0.00 1.08 0.00 0.00 40.66 42.12 1fe8 h LEU 991 CO 0.00 0.52 0.52 -0.07 -1.08 0.00 0.00 178.44 178.33 1fe8 h LEU 992 N 0.85 0.91 -0.74 1.67 4.07 -0.76 -1.29 115.31 120.02 1fe8 h LEU 992 Ca 0.23 -0.02 -0.04 0.00 0.08 0.00 0.00 57.88 58.13 1fe8 h LEU 992 Cb -0.10 -0.23 -0.03 0.00 1.08 0.00 0.00 40.66 41.38 1fe8 h LEU 992 CO -0.05 0.66 0.32 0.28 -1.08 0.00 0.00 178.44 178.57 1fe8 h SER 993 N 1.07 1.01 -0.11 -0.43 0.02 -0.74 -1.08 113.55 113.29 1fe8 h SER 993 Ca 0.29 -0.16 -0.10 0.00 -0.84 0.00 0.00 61.79 60.98 1fe8 h SER 993 Cb -0.12 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.14 1fe8 h SER 993 CO -0.06 0.89 -0.25 -0.07 -1.14 0.00 0.00 176.83 176.19 1fe8 h LEU 994 N 1.06 0.56 -0.29 5.07 3.38 -0.63 -2.86 115.31 121.61 1fe8 h LEU 994 Ca 0.25 -0.19 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 1fe8 h LEU 994 Cb 0.18 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1fe8 h LEU 994 CO -0.03 0.80 -0.01 0.58 0.09 0.00 0.00 178.44 179.87 1fe8 h VAL 995 N 0.48 1.26 -1.03 1.22 2.07 -0.83 -3.18 116.25 116.25 1fe8 h VAL 995 Ca 0.07 -0.97 0.26 0.00 0.82 0.00 0.00 66.70 66.89 1fe8 h VAL 995 Cb 0.70 1.33 -0.11 0.00 -1.52 0.00 0.00 31.29 31.68 1fe8 h VAL 995 CO 0.05 0.31 0.64 0.44 0.02 0.00 0.00 177.57 179.03 1fe8 h ASP 996 N 0.29 0.55 -0.67 0.57 3.32 -0.97 -3.45 116.42 116.06 1fe8 h ASP 996 Ca 0.08 0.11 -0.61 0.00 0.02 0.00 0.00 57.03 56.63 1fe8 h ASP 996 Cb 0.45 0.03 -0.06 0.00 0.22 0.00 0.00 39.33 39.97 1fe8 h ASP 996 CO 0.02 0.08 2.06 1.33 -1.72 0.00 0.00 179.24 181.01 1fe8 n VAL 997 N -4.76 3.41 0.00 -1.35 0.24 -1.19 -5.12 118.33 109.55 1fe8 n VAL 997 Ca 0.27 -3.48 0.00 0.00 -2.04 0.00 0.00 64.34 59.08 1fe8 n VAL 997 Cb 0.83 -2.34 0.00 0.00 -1.47 0.00 0.00 33.84 30.87 1fe8 n VAL 997 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1fe8 n GLN 999 N 8.12 0.00 -1.67 7.34 6.02 -1.26 -5.15 117.38 130.77 1fe8 n GLN 999 Ca 0.48 0.00 -0.46 0.00 -0.01 0.00 0.00 57.00 57.01 1fe8 n GLN 999 Cb 0.45 0.00 -0.04 0.00 1.02 0.00 0.00 30.24 31.67 1fe8 n GLN 999 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 1fe8 n ARG 1000N -0.43 2.20 0.08 -1.09 0.63 -1.26 -4.90 116.66 111.90 1fe8 n ARG 1000Ca 0.00 0.80 -0.02 0.00 -0.92 0.00 0.00 57.85 57.70 1fe8 n ARG 1000Cb 0.00 -2.58 -0.06 0.00 0.45 0.00 0.00 32.46 30.27 1fe8 n ARG 1000CO 0.00 0.00 0.00 1.05 -2.51 0.00 0.00 177.63 176.17 1fe8 h GLU 1001N 6.48 0.00 0.00 -0.14 4.11 -1.92 -3.51 114.58 119.60 1fe8 h GLU 1001Ca -0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.98 1fe8 h GLU 1001Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 1fe8 h GLU 1001CO 0.90 0.65 0.00 0.41 0.07 0.00 0.00 179.01 181.04 1fe8 n GLY 1002N 1.33 -1.26 0.00 1.06 0.00 0.16 -4.85 105.19 101.63 1fe8 n GLY 1002Ca -0.02 -1.58 0.00 0.00 0.00 0.00 0.00 46.02 44.42 1fe8 n GLY 1002CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fe8 n GLY 1003N -1.22 -1.11 3.85 -0.02 0.00 -1.26 -1.78 105.19 103.64 1fe8 n GLY 1003Ca 0.00 -2.22 -0.30 0.00 0.00 0.00 0.00 46.02 43.51 1fe8 n GLY 1003CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1fe8 s PRO 1004N -0.52 0.36 -0.99 1.61 0.04 -1.26 -0.97 135.00 133.27 1fe8 s PRO 1004Ca 0.00 -0.26 -0.04 0.00 0.04 0.00 0.00 61.00 60.74 1fe8 s PRO 1004Cb 0.00 -1.80 0.25 0.00 0.04 0.00 0.00 34.50 32.99 1fe8 s PRO 1004CO 0.00 -2.62 0.99 0.43 0.04 0.00 0.00 177.00 175.83 1fe8 n SER 1005N -3.95 4.92 -4.27 6.66 7.64 -1.26 -4.23 113.62 119.13 1fe8 n SER 1005Ca 0.14 -3.14 -0.44 0.00 1.01 0.00 0.00 58.87 56.44 1fe8 n SER 1005Cb 0.60 -1.18 0.00 0.00 -1.01 0.00 0.00 64.21 62.62 1fe8 n SER 1005CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1fe8 n GLN 1006N 2.26 3.54 0.01 1.43 6.02 -1.26 -1.63 117.38 127.75 1fe8 n GLN 1006Ca 0.23 -3.93 -0.00 0.00 -0.01 0.00 0.00 57.00 53.29 1fe8 n GLN 1006Cb 0.37 -2.89 0.29 0.00 1.02 0.00 0.00 30.24 29.04 1fe8 n GLN 1006CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.06 176.87 1fe8 h ILE 1007N 4.18 1.20 0.05 5.09 2.04 -1.92 -1.50 117.51 126.65 1fe8 h ILE 1007Ca 0.30 -0.84 -0.00 0.00 1.00 0.00 0.00 64.86 65.32 1fe8 h ILE 1007Cb 0.80 1.02 0.00 0.00 -0.74 0.00 0.00 36.82 37.90 1fe8 h ILE 1007CO 1.30 0.28 -0.02 1.23 0.00 0.00 0.00 178.15 180.94 1fe8 h GLY 1008N 0.85 -0.06 0.80 5.37 0.00 -1.78 0.73 103.07 108.97 1fe8 h GLY 1008Ca 0.10 0.02 0.05 0.00 0.00 0.00 0.00 47.33 47.50 1fe8 h GLY 1008CO 0.02 -0.02 0.65 -1.80 0.00 0.00 0.00 176.54 175.39 1fe8 h ASP 1009N -0.08 1.07 0.17 0.19 3.58 -1.76 -1.81 116.42 117.77 1fe8 h ASP 1009Ca -0.01 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.44 1fe8 h ASP 1009Cb 0.06 -0.23 0.00 0.00 1.72 0.00 0.00 39.33 40.88 1fe8 h ASP 1009CO 0.01 0.70 -0.08 0.00 -2.88 0.00 0.00 179.24 176.99 1fe8 h ALA 1010N 1.43 -0.22 -0.71 -0.78 0.00 -0.55 -1.85 119.26 116.58 1fe8 h ALA 1010Ca 0.42 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 1fe8 h ALA 1010Cb 0.09 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 1fe8 h ALA 1010CO -0.15 -0.51 0.43 1.25 0.00 0.00 0.00 179.25 180.26 1fe8 h LEU 1011N -0.45 0.85 -0.58 0.00 5.85 -0.72 -1.12 115.31 119.14 1fe8 h LEU 1011Ca -0.02 -0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.64 1fe8 h LEU 1011Cb 0.35 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.14 1fe8 h LEU 1011CO 0.04 0.65 0.31 1.23 -0.34 0.00 0.00 178.44 180.33 1fe8 h GLY 1012N 1.01 0.88 0.98 3.75 0.00 -1.22 0.90 103.07 109.37 1fe8 h GLY 1012Ca 0.26 -0.42 -0.01 0.00 0.00 0.00 0.00 47.33 47.16 1fe8 h GLY 1012CO -0.05 0.40 0.27 -2.75 0.00 0.00 0.00 176.54 174.41 1fe8 h PHE 1013N 0.79 0.70 -0.25 5.60 3.04 -0.76 -0.93 116.94 125.13 1fe8 h PHE 1013Ca 0.20 -0.02 -0.01 0.00 3.98 0.00 0.00 57.97 62.12 1fe8 h PHE 1013Cb 0.07 -0.22 -0.01 0.00 2.56 0.00 0.00 35.95 38.35 1fe8 h PHE 1013CO -0.01 0.53 0.12 0.00 -2.02 0.00 0.00 178.31 176.93 1fe8 h ALA 1014N 1.11 0.32 -0.52 2.41 0.00 -0.78 -0.18 119.26 121.62 1fe8 h ALA 1014Ca 0.18 -0.09 0.07 0.00 0.00 0.00 0.00 54.91 55.07 1fe8 h ALA 1014Cb 0.07 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 17.70 1fe8 h ALA 1014CO -0.03 -0.12 0.20 0.28 0.00 0.00 0.00 179.25 179.58 1fe8 h VAL 1015N 0.28 0.83 -0.43 0.00 2.07 -0.50 0.16 116.25 118.65 1fe8 h VAL 1015Ca 0.09 -0.13 -0.06 0.00 0.82 0.00 0.00 66.70 67.41 1fe8 h VAL 1015Cb 0.11 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 30.28 1fe8 h VAL 1015CO -0.01 0.07 0.00 0.03 0.02 0.00 0.00 177.57 177.68 1fe8 h ARG 1016N 0.38 0.70 -0.19 1.57 3.08 -0.90 -2.54 114.38 116.48 1fe8 h ARG 1016Ca 0.25 -0.18 -0.13 0.00 0.07 0.00 0.00 59.98 59.99 1fe8 h ARG 1016Cb 0.26 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 1fe8 h ARG 1016CO -0.25 0.72 -0.44 -0.92 -1.07 0.00 0.00 179.97 178.01 1fe8 h TYR 1017N 0.66 0.57 0.00 3.04 3.20 0.21 -2.11 116.97 122.54 1fe8 h TYR 1017Ca 0.13 -0.17 0.00 0.00 3.14 0.00 0.00 58.73 61.83 1fe8 h TYR 1017Cb 0.41 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 38.56 1fe8 h TYR 1017CO 0.02 0.83 0.00 -0.07 -1.64 0.00 0.00 178.16 177.30 1fe8 h LEU 1018N 0.39 0.00 -3.03 2.82 3.38 -0.40 -3.10 115.31 115.37 1fe8 h LEU 1018Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1fe8 h LEU 1018Cb 0.93 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.68 1fe8 h LEU 1018CO 0.08 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.96 1fe8 n THR 1019N -2.41 1.87 -3.46 0.22 -2.24 -0.99 -4.71 114.28 102.57 1fe8 n THR 1019Ca 0.03 -2.13 -0.43 0.00 -2.27 0.00 0.00 64.05 59.24 1fe8 n THR 1019Cb 0.30 -0.19 -0.06 0.00 -2.10 0.00 0.00 70.33 68.28 1fe8 n THR 1019CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1fe8 s SER 1020N -2.64 6.03 0.00 3.42 0.15 -0.82 -5.03 113.70 114.81 1fe8 s SER 1020Ca 0.31 -2.18 -0.00 0.00 0.70 0.00 0.00 55.95 54.78 1fe8 s SER 1020Cb 0.27 -2.09 -0.01 0.00 -1.71 0.00 0.00 66.02 62.48 1fe8 s SER 1020CO 0.04 -0.67 0.74 1.21 1.20 0.00 0.00 173.24 175.75 1fe8 n GLU 1021N 4.60 0.36 0.00 5.44 2.13 -1.26 -1.99 120.64 129.92 1fe8 n GLU 1021Ca -0.02 -0.02 0.00 0.00 0.66 0.00 0.00 57.16 57.77 1fe8 n GLU 1021Cb 0.42 -1.35 0.00 0.00 0.27 0.00 0.00 31.44 30.78 1fe8 n GLU 1021CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 1fe8 n HIS 1023N 1.89 0.00 0.00 4.31 8.25 -1.26 -4.34 115.22 124.07 1fe8 n HIS 1023Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 1fe8 n HIS 1023Cb 0.18 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.29 1fe8 n HIS 1023CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1fe8 n GLY 1024N 0.00 2.66 3.76 -1.41 0.00 -1.16 -4.58 105.19 104.46 1fe8 n GLY 1024Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 1fe8 n GLY 1024CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fe8 s ALA 1025N -2.34 2.59 -0.16 4.61 0.00 -0.84 -4.68 121.76 120.94 1fe8 s ALA 1025Ca 0.00 0.97 -0.13 0.00 0.00 0.00 0.00 51.96 52.80 1fe8 s ALA 1025Cb 0.00 -3.43 -0.05 0.00 0.00 0.00 0.00 23.12 19.64 1fe8 s ALA 1025CO 0.00 -1.06 0.26 1.03 0.00 0.00 0.00 175.76 175.99 1fe8 s ARG 1026N -3.30 4.20 0.41 0.00 0.52 -1.26 -4.25 118.95 115.26 1fe8 s ARG 1026Ca 0.76 0.05 -0.26 0.00 -0.52 0.00 0.00 55.73 55.76 1fe8 s ARG 1026Cb -0.29 -3.41 -0.09 0.00 0.52 0.00 0.00 34.95 31.69 1fe8 s ARG 1026CO 0.32 0.29 1.28 -1.25 0.02 0.00 0.00 175.30 175.95 1fe8 s PRO 1027N 0.33 3.97 0.00 3.54 0.04 -1.26 -2.75 135.00 138.87 1fe8 s PRO 1027Ca 0.15 2.10 0.00 0.00 0.04 0.00 0.00 61.00 63.29 1fe8 s PRO 1027Cb -0.13 -2.74 0.00 0.00 0.04 0.00 0.00 34.50 31.68 1fe8 s PRO 1027CO 0.03 -0.47 0.00 0.41 0.04 0.00 0.00 177.00 177.01 1fe8 n GLY 1028N 0.67 1.25 3.86 0.56 0.00 -1.26 -5.01 105.19 105.25 1fe8 n GLY 1028Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 1fe8 n GLY 1028CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fe8 s ALA 1029N -2.94 3.26 0.64 4.61 0.00 -1.11 -4.99 121.76 121.23 1fe8 s ALA 1029Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 51.96 51.80 1fe8 s ALA 1029Cb 0.00 -2.84 -0.01 0.00 0.00 0.00 0.00 23.12 20.27 1fe8 s ALA 1029CO 0.00 0.09 1.16 -1.12 0.00 0.00 0.00 175.76 175.89 1fe8 s SER 1030N -2.74 5.02 -0.02 0.00 0.01 -0.11 -4.81 113.70 111.05 1fe8 s SER 1030Ca 0.55 2.22 0.06 0.00 1.31 0.00 0.00 55.95 60.09 1fe8 s SER 1030Cb -0.10 -2.58 -0.01 0.00 0.21 0.00 0.00 66.02 63.54 1fe8 s SER 1030CO 0.25 -1.70 -0.19 -0.54 0.41 0.00 0.00 173.24 171.46 1fe8 s LYS 1031N -3.70 1.58 0.00 12.44 -0.14 -1.26 -0.96 119.74 127.71 1fe8 s LYS 1031Ca 0.73 -0.68 -0.19 0.00 -1.36 0.00 0.00 55.97 54.47 1fe8 s LYS 1031Cb -0.26 -1.52 0.04 0.00 -1.68 0.00 0.00 37.83 34.41 1fe8 s LYS 1031CO 0.37 0.40 0.41 0.00 -0.76 0.00 0.00 175.35 175.77 1fe8 s ALA 1032N -0.42 -1.02 -0.06 5.17 0.00 -0.67 -1.83 121.76 122.93 1fe8 s ALA 1032Ca 0.07 0.47 -0.02 0.00 0.00 0.00 0.00 51.96 52.47 1fe8 s ALA 1032Cb -0.08 0.17 0.04 0.00 0.00 0.00 0.00 23.12 23.25 1fe8 s ALA 1032CO -0.01 -0.36 0.10 0.54 0.00 0.00 0.00 175.76 176.04 1fe8 s VAL 1033N -1.78 -0.15 -0.30 0.00 0.11 -0.65 -0.58 120.40 117.05 1fe8 s VAL 1033Ca -0.10 0.34 -0.13 0.00 -2.93 0.00 0.00 61.98 59.16 1fe8 s VAL 1033Cb -0.03 -0.20 -0.03 0.00 -1.53 0.00 0.00 36.38 34.59 1fe8 s VAL 1033CO 0.02 0.14 0.28 -0.69 -3.33 0.00 0.00 175.10 171.53 1fe8 s VAL 1034N 1.92 5.24 -0.15 2.04 1.01 0.59 -1.38 120.40 129.68 1fe8 s VAL 1034Ca 0.00 0.15 -0.00 0.00 0.00 0.00 0.00 61.98 62.13 1fe8 s VAL 1034Cb -0.12 -3.67 -0.01 0.00 0.00 0.00 0.00 36.38 32.58 1fe8 s VAL 1034CO -0.04 0.10 -0.13 -0.51 0.00 0.00 0.00 175.10 174.51 1fe8 s ILE 1035N 1.88 2.92 -0.03 2.22 2.07 -0.77 -0.21 121.20 129.28 1fe8 s ILE 1035Ca 0.10 -0.69 -0.19 0.00 -1.41 0.00 0.00 60.65 58.45 1fe8 s ILE 1035Cb -0.16 -2.24 -0.05 0.00 0.13 0.00 0.00 42.46 40.14 1fe8 s ILE 1035CO 0.11 0.51 0.54 -0.76 -1.91 0.00 0.00 174.94 173.43 1fe8 s LEU 1036N 0.63 4.39 -0.06 8.50 1.02 -0.40 -0.36 118.68 132.40 1fe8 s LEU 1036Ca -0.07 1.05 -0.01 0.00 0.02 0.00 0.00 54.13 55.12 1fe8 s LEU 1036Cb -0.16 -2.82 0.03 0.00 0.02 0.00 0.00 46.19 43.26 1fe8 s LEU 1036CO 0.03 0.10 -0.01 -0.69 0.02 0.00 0.00 176.35 175.80 1fe8 s VAL 1037N -0.09 0.41 -0.20 -1.59 1.01 -0.08 -4.04 120.40 115.82 1fe8 s VAL 1037Ca 0.29 0.06 0.03 0.00 0.00 0.00 0.00 61.98 62.35 1fe8 s VAL 1037Cb -0.17 -0.53 -0.01 0.00 0.00 0.00 0.00 36.38 35.67 1fe8 s VAL 1037CO 0.15 0.24 0.27 0.35 0.00 0.00 0.00 175.10 176.11 1fe8 n THR 1038N 4.80 0.00 -4.21 3.92 -2.24 -1.26 -0.86 114.28 114.43 1fe8 n THR 1038Ca -0.13 -0.46 -0.13 0.00 -2.27 0.00 0.00 64.05 61.06 1fe8 n THR 1038Cb 0.50 1.02 -0.10 0.00 -2.10 0.00 0.00 70.33 69.65 1fe8 n THR 1038CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1fe8 s ASP 1039N -0.89 0.32 0.22 3.42 2.15 -1.26 -3.69 116.67 116.94 1fe8 s ASP 1039Ca 0.02 -1.42 -0.30 0.00 0.43 0.00 0.00 52.55 51.28 1fe8 s ASP 1039Cb 0.02 0.38 -0.08 0.00 -0.30 0.00 0.00 42.92 42.94 1fe8 s ASP 1039CO 0.08 -0.85 1.01 0.68 -0.17 0.00 0.00 175.17 175.92 1fe8 s VAL 1040N -4.08 3.94 0.07 1.11 -7.23 -1.20 -4.50 120.40 108.50 1fe8 s VAL 1040Ca 0.39 1.85 -0.31 0.00 -1.81 0.00 0.00 61.98 62.10 1fe8 s VAL 1040Cb 0.07 -4.18 -0.06 0.00 0.56 0.00 0.00 36.38 32.77 1fe8 s VAL 1040CO 0.13 0.40 1.29 -0.55 -0.31 0.00 0.00 175.10 176.06 1fe8 s SER 1041N -0.75 6.96 0.25 4.85 0.15 -1.26 -4.78 113.70 119.13 1fe8 s SER 1041Ca 0.44 2.13 0.12 0.00 0.70 0.00 0.00 55.95 59.35 1fe8 s SER 1041Cb -0.28 -2.58 0.21 0.00 -1.71 0.00 0.00 66.02 61.66 1fe8 s SER 1041CO 0.35 -0.57 1.51 1.62 1.20 0.00 0.00 173.24 177.34 1fe8 h VAL 1042N 4.48 1.27 -1.91 4.45 3.04 -1.69 -3.45 116.25 122.43 1fe8 h VAL 1042Ca -0.41 -2.38 -0.53 0.00 -1.01 0.00 0.00 66.70 62.37 1fe8 h VAL 1042Cb 1.21 2.36 -0.06 0.00 -2.01 0.00 0.00 31.29 32.78 1fe8 h VAL 1042CO 0.84 0.63 -0.52 1.51 -1.01 0.00 0.00 177.57 179.03 1fe8 s ASP 1043N -6.62 4.92 0.50 3.17 1.47 -1.26 -5.07 116.67 113.78 1fe8 s ASP 1043Ca 0.01 -0.64 -0.22 0.00 1.18 0.00 0.00 52.55 52.87 1fe8 s ASP 1043Cb 0.10 -0.86 -0.06 0.00 -0.34 0.00 0.00 42.92 41.76 1fe8 s ASP 1043CO 0.76 -0.28 1.26 -0.55 0.68 0.00 0.00 175.17 177.04 1fe8 s SER 1044N -3.88 5.74 0.00 2.11 0.15 -1.26 -4.46 113.70 112.10 1fe8 s SER 1044Ca 0.38 2.53 0.07 0.00 0.70 0.00 0.00 55.95 59.63 1fe8 s SER 1044Cb -0.04 -2.62 0.03 0.00 -1.71 0.00 0.00 66.02 61.68 1fe8 s SER 1044CO 0.24 -1.23 0.65 1.33 1.20 0.00 0.00 173.24 175.43 1fe8 n VAL 1045N -0.74 0.00 0.01 4.45 0.24 -1.26 -3.98 118.33 117.05 1fe8 n VAL 1045Ca 0.09 -0.47 -0.12 0.00 -2.04 0.00 0.00 64.34 61.80 1fe8 n VAL 1045Cb 0.47 1.13 -0.06 0.00 -1.47 0.00 0.00 33.84 33.90 1fe8 n VAL 1045CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 1fe8 h ASP 1046N 1.20 0.07 0.83 -1.34 3.32 -1.93 -0.70 116.42 117.86 1fe8 h ASP 1046Ca 0.00 -0.05 -0.04 0.00 0.02 0.00 0.00 57.03 56.97 1fe8 h ASP 1046Cb 0.28 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 39.81 1fe8 h ASP 1046CO 0.00 0.10 -0.50 0.00 -1.72 0.00 0.00 179.24 177.12 1fe8 h ALA 1047N 0.98 -1.29 -0.99 3.45 0.00 -1.98 -0.94 119.26 118.49 1fe8 h ALA 1047Ca 0.02 -0.26 0.10 0.00 0.00 0.00 0.00 54.91 54.77 1fe8 h ALA 1047Cb 0.04 0.61 -0.08 0.00 0.00 0.00 0.00 17.79 18.36 1fe8 h ALA 1047CO -0.00 -1.24 0.63 0.00 0.00 0.00 0.00 179.25 178.64 1fe8 h ALA 1048N -1.19 1.50 -0.83 0.00 0.00 -1.84 -0.30 119.26 116.60 1fe8 h ALA 1048Ca -0.11 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 1fe8 h ALA 1048Cb 0.99 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.49 1fe8 h ALA 1048CO 0.12 0.30 0.40 0.00 0.00 0.00 0.00 179.25 180.07 1fe8 h ALA 1049N 1.51 1.13 -0.13 0.00 0.00 -0.86 -0.58 119.26 120.33 1fe8 h ALA 1049Ca 0.46 -0.16 -0.21 0.00 0.00 0.00 0.00 54.91 55.00 1fe8 h ALA 1049Cb 0.36 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1fe8 h ALA 1049CO -0.22 0.66 -0.75 0.22 0.00 0.00 0.00 179.25 179.16 1fe8 h ASP 1050N 1.19 0.77 -0.80 0.00 3.58 -0.25 -2.57 116.42 118.34 1fe8 h ASP 1050Ca 0.29 -0.50 0.02 0.00 0.42 0.00 0.00 57.03 57.25 1fe8 h ASP 1050Cb 0.12 -0.23 -0.04 0.00 1.72 0.00 0.00 39.33 40.90 1fe8 h ASP 1050CO -0.04 1.28 0.53 0.00 -2.88 0.00 0.00 179.24 178.13 1fe8 h ALA 1051N 0.71 1.45 -0.10 -0.78 0.00 -0.73 -0.71 119.26 119.10 1fe8 h ALA 1051Ca -0.04 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1fe8 h ALA 1051Cb 1.35 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 1fe8 h ALA 1051CO 0.15 0.49 0.06 0.00 0.00 0.00 0.00 179.25 179.95 1fe8 h ALA 1052N 1.51 0.13 -0.30 0.00 0.00 -0.94 -1.93 119.26 117.73 1fe8 h ALA 1052Ca 0.30 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.23 1fe8 h ALA 1052Cb -0.08 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.62 1fe8 h ALA 1052CO -0.07 -0.35 -0.05 -0.09 0.00 0.00 0.00 179.25 178.69 1fe8 h ARG 1053N 0.09 0.03 0.00 0.00 2.43 -0.86 0.65 114.38 116.71 1fe8 h ARG 1053Ca 0.04 -0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.18 1fe8 h ARG 1053Cb 0.05 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.59 1fe8 h ARG 1053CO -0.01 0.02 -0.11 0.66 -1.51 0.00 0.00 179.97 179.02 1fe8 h SER 1054N 0.03 0.00 -0.48 -3.80 4.64 -1.03 -2.38 113.55 110.52 1fe8 h SER 1054Ca 0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 1fe8 h SER 1054Cb 0.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 1fe8 h SER 1054CO -0.29 0.11 0.00 0.59 -0.87 0.00 0.00 176.83 176.37 1fe8 n ASN 1055N -3.28 2.81 -2.20 4.97 3.02 -0.74 -4.93 115.26 114.90 1fe8 n ASN 1055Ca 0.00 -1.97 -0.18 0.00 -0.03 0.00 0.00 54.58 52.40 1fe8 n ASN 1055Cb 0.34 -0.32 0.00 0.00 -0.61 0.00 0.00 39.78 39.19 1fe8 n ASN 1055CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1fe8 n ARG 1056N 1.04 -2.07 -3.38 3.52 1.74 -0.89 -4.95 116.66 111.66 1fe8 n ARG 1056Ca 0.18 0.86 -0.41 0.00 -0.77 0.00 0.00 57.85 57.71 1fe8 n ARG 1056Cb 0.46 -5.40 -0.09 0.00 -1.02 0.00 0.00 32.46 26.40 1fe8 n ARG 1056CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1fe8 s VAL 1057N -2.95 5.15 -0.20 1.55 1.01 0.16 -4.14 120.40 120.98 1fe8 s VAL 1057Ca 0.06 -0.05 -0.28 0.00 0.00 0.00 0.00 61.98 61.71 1fe8 s VAL 1057Cb -0.03 -3.88 0.00 0.00 0.00 0.00 0.00 36.38 32.48 1fe8 s VAL 1057CO 0.07 -0.17 0.98 -0.89 0.00 0.00 0.00 175.10 175.08 1fe8 s THR 1058N 2.05 4.75 -0.19 3.92 2.01 -0.76 -4.23 115.64 123.18 1fe8 s THR 1058Ca 0.12 1.92 -0.08 0.00 0.31 0.00 0.00 61.69 63.96 1fe8 s THR 1058Cb -0.17 -4.26 -0.04 0.00 0.01 0.00 0.00 72.50 68.04 1fe8 s THR 1058CO 0.12 -0.10 0.07 -0.69 -0.69 0.00 0.00 174.62 173.33 1fe8 s VAL 1059N 2.80 4.86 -0.51 3.82 1.01 -1.26 -1.63 120.40 129.48 1fe8 s VAL 1059Ca 0.43 -0.01 0.01 0.00 0.00 0.00 0.00 61.98 62.41 1fe8 s VAL 1059Cb -0.16 -3.20 0.13 0.00 0.00 0.00 0.00 36.38 33.16 1fe8 s VAL 1059CO 0.09 0.45 0.28 -0.36 0.00 0.00 0.00 175.10 175.56 1fe8 s PHE 1060N 0.41 3.39 0.15 5.22 0.40 -0.48 -4.52 117.98 122.56 1fe8 s PHE 1060Ca 0.04 -2.93 -0.30 0.00 -0.60 0.00 0.00 56.93 53.14 1fe8 s PHE 1060Cb -0.12 -3.00 -0.07 0.00 0.51 0.00 0.00 43.02 40.34 1fe8 s PHE 1060CO 0.00 -0.83 1.08 -2.14 0.70 0.00 0.00 175.22 174.04 1fe8 s PRO 1061N 0.11 4.59 -0.31 0.24 0.02 -1.22 -1.84 135.00 136.59 1fe8 s PRO 1061Ca 0.15 1.68 0.03 0.00 0.02 0.00 0.00 61.00 62.87 1fe8 s PRO 1061Cb -0.23 -3.30 0.08 0.00 0.02 0.00 0.00 34.50 31.07 1fe8 s PRO 1061CO -0.03 0.07 -0.01 0.42 -0.33 0.00 0.00 177.00 177.12 1fe8 s ILE 1062N -0.07 2.38 -0.03 2.83 1.01 0.51 -1.75 121.20 126.08 1fe8 s ILE 1062Ca 0.50 -1.95 -0.28 0.00 0.00 0.00 0.00 60.65 58.92 1fe8 s ILE 1062Cb -0.28 -2.57 -0.03 0.00 0.01 0.00 0.00 42.46 39.58 1fe8 s ILE 1062CO 0.33 -0.33 0.89 -0.83 0.00 0.00 0.00 174.94 175.00 1fe8 s GLY 1063N 1.08 2.76 -0.14 6.18 0.00 0.16 -0.91 107.32 116.46 1fe8 s GLY 1063Ca 0.01 0.39 0.02 0.00 0.00 0.00 0.00 44.72 45.14 1fe8 s GLY 1063CO -0.06 1.55 -0.19 -0.42 0.00 0.00 0.00 173.10 173.98 1fe8 s ILE 1064N 1.04 1.85 0.00 0.90 1.01 -0.04 0.15 121.20 126.12 1fe8 s ILE 1064Ca 0.47 -0.84 0.00 0.00 0.00 0.00 0.00 60.65 60.28 1fe8 s ILE 1064Cb -0.20 -1.67 0.00 0.00 0.01 0.00 0.00 42.46 40.60 1fe8 s ILE 1064CO 0.24 0.51 0.00 0.61 0.00 0.00 0.00 174.94 176.30 1fe8 n GLY 1065N 4.31 0.52 1.29 6.18 0.00 0.78 -4.44 105.19 113.83 1fe8 n GLY 1065Ca -0.19 -1.33 0.02 0.00 0.00 0.00 0.00 46.02 44.52 1fe8 n GLY 1065CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1fe8 n ASP 1066N 1.65 0.66 -0.00 1.61 5.68 -1.26 -4.71 116.55 120.18 1fe8 n ASP 1066Ca 0.00 -1.98 0.06 0.00 -0.50 0.00 0.00 54.79 52.36 1fe8 n ASP 1066Cb 0.00 -0.23 -0.07 0.00 -1.14 0.00 0.00 41.12 39.68 1fe8 n ASP 1066CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1fe8 n ARG 1067N 0.38 2.21 -2.02 0.11 5.12 -1.26 -5.02 116.66 116.17 1fe8 n ARG 1067Ca 0.02 -0.04 -0.30 0.00 -1.93 0.00 0.00 57.85 55.60 1fe8 n ARG 1067Cb 1.03 -1.12 0.02 0.00 -1.16 0.00 0.00 32.46 31.24 1fe8 n ARG 1067CO 0.00 0.00 0.00 1.52 -1.93 0.00 0.00 177.63 177.22 1fe8 s TYR 1068N -2.34 3.47 -0.47 -1.55 -0.85 -1.24 -3.25 117.35 111.13 1fe8 s TYR 1068Ca 0.01 1.08 -0.16 0.00 -0.52 0.00 0.00 57.07 57.48 1fe8 s TYR 1068Cb 0.08 -2.80 0.07 0.00 0.38 0.00 0.00 41.96 39.70 1fe8 s TYR 1068CO 0.47 -0.83 0.40 0.34 -1.52 0.00 0.00 175.55 174.42 1fe8 s ASP 1069N -4.25 6.15 0.58 -0.18 3.68 -1.26 -4.89 116.67 116.51 1fe8 s ASP 1069Ca 0.55 -1.31 0.29 0.00 2.13 0.00 0.00 52.55 54.21 1fe8 s ASP 1069Cb -0.11 -2.19 1.44 0.00 -1.45 0.00 0.00 42.92 40.61 1fe8 s ASP 1069CO 0.51 -0.66 1.84 0.00 0.13 0.00 0.00 175.17 177.00 1fe8 h ALA 1070N 8.76 2.35 -0.08 3.66 0.00 -1.99 -0.28 119.26 131.68 1fe8 h ALA 1070Ca -0.28 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.58 1fe8 h ALA 1070Cb 1.11 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 1fe8 h ALA 1070CO 0.88 -0.87 -0.05 0.00 0.00 0.00 0.00 179.25 179.21 1fe8 h ALA 1071N 1.39 0.11 -0.90 0.00 0.00 -1.99 -1.84 119.26 116.03 1fe8 h ALA 1071Ca 0.27 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 54.95 1fe8 h ALA 1071Cb 1.42 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 19.14 1fe8 h ALA 1071CO -0.00 -0.12 0.60 1.96 0.00 0.00 0.00 179.25 181.69 1fe8 h GLN 1072N -0.22 1.17 -0.38 0.00 4.20 -1.48 -1.02 115.11 117.39 1fe8 h GLN 1072Ca 0.02 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.64 1fe8 h GLN 1072Cb 0.51 -0.26 -0.02 0.00 0.30 0.00 0.00 27.48 28.00 1fe8 h GLN 1072CO 0.01 0.78 0.18 -0.07 -0.67 0.00 0.00 178.83 179.06 1fe8 h LEU 1073N 1.21 0.49 -1.32 1.46 3.38 -1.39 0.47 115.31 119.60 1fe8 h LEU 1073Ca 0.34 -0.12 0.05 0.00 0.09 0.00 0.00 57.88 58.24 1fe8 h LEU 1073Cb -0.11 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 40.47 1fe8 h LEU 1073CO -0.08 0.47 0.49 -0.09 0.09 0.00 0.00 178.44 179.33 1fe8 h ARG 1074N 0.47 0.82 -0.17 1.13 2.43 -0.55 -1.84 114.38 116.68 1fe8 h ARG 1074Ca 0.13 -0.05 -0.18 0.00 -0.81 0.00 0.00 59.98 59.07 1fe8 h ARG 1074Cb 0.11 -0.19 0.01 0.00 -0.42 0.00 0.00 29.97 29.48 1fe8 h ARG 1074CO -0.02 0.54 -0.61 0.82 -1.51 0.00 0.00 179.97 179.20 1fe8 h ILE 1075N 0.85 1.31 -0.91 1.20 2.04 -0.49 -3.19 117.51 118.32 1fe8 h ILE 1075Ca 0.31 -1.84 0.09 0.00 1.00 0.00 0.00 64.86 64.42 1fe8 h ILE 1075Cb 0.17 1.96 -0.06 0.00 -0.74 0.00 0.00 36.82 38.14 1fe8 h ILE 1075CO -0.10 0.58 0.59 -0.07 0.00 0.00 0.00 178.15 179.14 1fe8 h LEU 1076N 0.41 0.85 0.00 1.44 3.38 -0.22 -0.48 115.31 120.70 1fe8 h LEU 1076Ca -0.03 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1fe8 h LEU 1076Cb 1.23 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.82 1fe8 h LEU 1076CO 0.13 0.52 0.00 0.00 0.09 0.00 0.00 178.44 179.17 1fe8 n ALA 1077N -2.40 1.89 -0.89 1.53 0.00 -0.76 -4.67 120.51 115.20 1fe8 n ALA 1077Ca 0.15 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.52 1fe8 n ALA 1077Cb 0.27 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.44 1fe8 n ALA 1077CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1fe8 n GLY 1078N 0.21 3.30 0.20 0.00 0.00 -0.19 -3.59 105.19 105.13 1fe8 n GLY 1078Ca 0.07 -0.15 -0.11 0.00 0.00 0.00 0.00 46.02 45.82 1fe8 n GLY 1078CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1fe8 h PRO 1079N 0.00 -0.26 0.00 1.61 0.11 -1.90 -2.59 132.00 128.96 1fe8 h PRO 1079Ca 0.00 0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.13 1fe8 h PRO 1079Cb 0.00 0.06 -0.00 0.00 0.11 0.00 0.00 31.00 31.17 1fe8 h PRO 1079CO 0.00 -0.18 -0.00 0.00 -0.21 0.00 0.00 178.00 177.61 1fe8 h ALA 1080N 0.64 1.02 -0.66 -0.75 0.00 -1.95 -3.47 119.26 114.09 1fe8 h ALA 1080Ca 0.05 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1fe8 h ALA 1080Cb 0.33 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1fe8 h ALA 1080CO -0.14 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.52 1fe8 n GLY 1081N -0.90 2.38 0.08 0.00 0.00 -0.98 -1.37 105.19 104.40 1fe8 n GLY 1081Ca -0.02 -0.34 0.05 0.00 0.00 0.00 0.00 46.02 45.70 1fe8 n GLY 1081CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1fe8 n ASP 1082N -0.07 0.24 0.26 1.61 8.00 -1.26 -1.77 116.55 123.56 1fe8 n ASP 1082Ca 0.00 0.57 0.11 0.00 0.71 0.00 0.00 54.79 56.18 1fe8 n ASP 1082Cb 0.00 -0.58 0.72 0.00 -0.02 0.00 0.00 41.12 41.24 1fe8 n ASP 1082CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1fe8 h SER 1083N 0.00 0.00 -0.31 -2.24 0.02 -1.62 -1.47 113.55 107.93 1fe8 h SER 1083Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1fe8 h SER 1083Cb 0.15 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.69 1fe8 h SER 1083CO 0.00 0.09 0.00 0.59 -1.14 0.00 0.00 176.83 176.37 1fe8 n ASN 1084N -3.96 2.91 -4.86 3.07 3.02 -0.73 -4.97 115.26 109.73 1fe8 n ASN 1084Ca -0.02 -1.87 -0.36 0.00 -0.03 0.00 0.00 54.58 52.29 1fe8 n ASN 1084Cb 0.18 -0.20 -0.06 0.00 -0.61 0.00 0.00 39.78 39.09 1fe8 n ASN 1084CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1fe8 s VAL 1085N -1.09 5.25 -0.07 2.41 1.01 -0.56 -3.46 120.40 123.89 1fe8 s VAL 1085Ca 0.27 0.44 0.00 0.00 0.00 0.00 0.00 61.98 62.69 1fe8 s VAL 1085Cb 0.15 -3.57 0.02 0.00 0.00 0.00 0.00 36.38 32.98 1fe8 s VAL 1085CO 0.21 0.51 -0.06 -0.69 0.00 0.00 0.00 175.10 175.06 1fe8 s VAL 1086N -1.15 0.75 -0.20 2.92 1.01 -0.72 -4.97 120.40 118.04 1fe8 s VAL 1086Ca 0.23 -0.19 -0.04 0.00 0.00 0.00 0.00 61.98 61.99 1fe8 s VAL 1086Cb -0.14 -0.78 -0.02 0.00 0.00 0.00 0.00 36.38 35.45 1fe8 s VAL 1086CO 0.12 0.29 -0.04 -0.54 0.00 0.00 0.00 175.10 174.93 1fe8 s LYS 1087N 1.28 3.48 -0.16 2.72 1.02 -1.26 0.40 119.74 127.22 1fe8 s LYS 1087Ca -0.04 -0.59 -0.04 0.00 0.02 0.00 0.00 55.97 55.31 1fe8 s LYS 1087Cb -0.14 -2.97 -0.03 0.00 -0.52 0.00 0.00 37.83 34.17 1fe8 s LYS 1087CO -0.02 -0.04 -0.03 -0.51 -0.92 0.00 0.00 175.35 173.82 1fe8 s LEU 1088N 1.09 3.27 0.21 3.17 1.43 0.41 -4.94 118.68 123.31 1fe8 s LEU 1088Ca 0.01 -0.12 -0.05 0.00 -1.03 0.00 0.00 54.13 52.93 1fe8 s LEU 1088Cb -0.15 -1.79 0.16 0.00 0.03 0.00 0.00 46.19 44.44 1fe8 s LEU 1088CO 0.00 0.16 1.63 1.56 0.23 0.00 0.00 176.35 179.93 1fe8 h GLN 1089N 6.74 0.84 -4.21 1.70 4.20 -1.84 0.22 115.11 122.77 1fe8 h GLN 1089Ca -0.32 -0.32 -0.19 0.00 0.06 0.00 0.00 58.65 57.88 1fe8 h GLN 1089Cb 1.19 -0.05 -0.20 0.00 0.30 0.00 0.00 27.48 28.73 1fe8 h GLN 1089CO 0.63 0.96 -0.71 -0.98 -0.67 0.00 0.00 178.83 178.06 1fe8 s ARG 1090N -4.69 0.44 0.33 1.46 1.70 -1.26 -3.70 118.95 113.23 1fe8 s ARG 1090Ca -0.10 -0.78 0.05 0.00 -0.47 0.00 0.00 55.73 54.43 1fe8 s ARG 1090Cb 0.13 0.00 0.70 0.00 -0.57 0.00 0.00 34.95 35.21 1fe8 s ARG 1090CO 0.84 -0.03 1.87 0.97 -1.08 0.00 0.00 175.30 177.87 1fe8 h ILE 1091N 4.28 0.90 -1.11 4.99 6.09 -1.94 -1.33 117.51 129.38 1fe8 h ILE 1091Ca -0.33 -0.29 0.31 0.00 -1.37 0.00 0.00 64.86 63.18 1fe8 h ILE 1091Cb 1.19 -0.01 -0.10 0.00 0.47 0.00 0.00 36.82 38.38 1fe8 h ILE 1091CO 0.46 0.15 0.72 -0.33 -3.07 0.00 0.00 178.15 176.08 1fe8 h GLU 1092N 0.83 0.29 0.00 2.19 3.07 -1.99 0.21 114.58 119.19 1fe8 h GLU 1092Ca 0.45 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 59.29 1fe8 h GLU 1092Cb 0.56 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 28.40 1fe8 h GLU 1092CO -0.21 0.19 0.00 -0.25 -1.40 0.00 0.00 179.01 177.34 1fe8 n ASP 1093N -4.61 0.00 0.25 1.42 8.00 -0.50 -4.17 116.55 116.94 1fe8 n ASP 1093Ca 0.28 -0.32 -0.14 0.00 0.71 0.00 0.00 54.79 55.32 1fe8 n ASP 1093Cb 1.02 -0.22 -0.07 0.00 -0.02 0.00 0.00 41.12 41.82 1fe8 n ASP 1093CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 1fe8 h LEU 1094N 0.00 -0.56 -0.70 0.64 5.85 -0.71 -3.25 115.31 116.57 1fe8 h LEU 1094Ca 0.00 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.65 1fe8 h LEU 1094Cb 0.21 0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.35 1fe8 h LEU 1094CO 0.00 -0.19 0.45 -0.65 -0.34 0.00 0.00 178.44 177.71 1fe8 h PRO 1095N -1.01 0.93 -2.60 5.25 0.11 -1.76 -3.34 132.00 129.59 1fe8 h PRO 1095Ca -0.07 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.98 1fe8 h PRO 1095Cb 0.60 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 31.50 1fe8 h PRO 1095CO 0.11 0.63 0.19 2.41 -0.21 0.00 0.00 178.00 181.14 1fe8 n THR 1096N -4.58 0.00 0.00 -1.15 -1.04 -1.23 -1.39 114.28 104.89 1fe8 n THR 1096Ca 0.06 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.07 1fe8 n THR 1096Cb 0.03 -0.83 0.00 0.00 -1.82 0.00 0.00 70.33 67.71 1fe8 n THR 1096CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 1fe8 n VAL 1098N 2.13 0.00 0.10 12.58 0.31 -1.25 -1.28 118.33 130.91 1fe8 n VAL 1098Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.21 1fe8 n VAL 1098Cb 0.00 0.00 -0.05 0.00 -0.91 0.00 0.00 33.84 32.88 1fe8 n VAL 1098CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 1fe8 h THR 1099N 0.00 0.55 0.00 2.52 1.35 -1.57 -3.38 112.91 112.39 1fe8 h THR 1099Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1fe8 h THR 1099Cb 0.00 0.55 0.00 0.00 -1.73 0.00 0.00 68.15 66.97 1fe8 h THR 1099CO 0.00 0.00 0.00 -0.11 -0.25 0.00 0.00 175.52 175.16 1fe8 n LEU 1100N -5.32 0.00 0.00 3.87 7.94 -0.40 -4.90 117.00 118.19 1fe8 n LEU 1100Ca -0.06 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.84 1fe8 n LEU 1100Cb 0.24 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.19 1fe8 n LEU 1100CO 0.27 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 177.16 1fe8 n GLY 1101N 0.00 1.70 0.09 -3.96 0.00 -1.26 -5.03 105.19 96.72 1fe8 n GLY 1101Ca 0.00 -2.04 0.03 0.00 0.00 0.00 0.00 46.02 44.01 1fe8 n GLY 1101CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1fe8 n ASN 1102N -1.13 1.58 0.17 1.61 3.02 -1.26 -4.67 115.26 114.58 1fe8 n ASN 1102Ca 0.00 -2.22 0.06 0.00 -0.03 0.00 0.00 54.58 52.39 1fe8 n ASN 1102Cb 0.00 -0.17 0.54 0.00 -0.61 0.00 0.00 39.78 39.54 1fe8 n ASN 1102CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 1fe8 h SER 1103N 0.00 0.16 0.34 6.41 4.64 -1.96 -1.12 113.55 122.02 1fe8 h SER 1103Ca 0.00 -0.01 -0.22 0.00 -0.47 0.00 0.00 61.79 61.09 1fe8 h SER 1103Cb 0.85 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.90 1fe8 h SER 1103CO 0.00 0.16 -0.91 0.15 -0.87 0.00 0.00 176.83 175.36 1fe8 h PHE 1104N 0.18 0.59 -0.38 4.77 3.57 -1.95 -3.24 116.94 120.47 1fe8 h PHE 1104Ca 0.05 -0.31 -0.16 0.00 3.53 0.00 0.00 57.97 61.07 1fe8 h PHE 1104Cb 0.06 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.73 1fe8 h PHE 1104CO 0.00 1.13 -0.39 -0.07 -2.23 0.00 0.00 178.31 176.75 1fe8 h LEU 1105N 0.23 0.99 -2.73 0.59 3.38 -1.66 -2.73 115.31 113.38 1fe8 h LEU 1105Ca -0.07 -0.45 -0.00 0.00 0.09 0.00 0.00 57.88 57.44 1fe8 h LEU 1105Cb 1.54 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 42.02 1fe8 h LEU 1105CO 0.16 1.25 -0.01 0.45 0.09 0.00 0.00 178.44 180.38 1fe8 h HIS 1106N 0.75 0.00 0.00 1.13 3.86 -1.30 -0.39 115.15 119.20 1fe8 h HIS 1106Ca 0.06 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.21 1fe8 h HIS 1106Cb 0.98 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.44 1fe8 h HIS 1106CO 0.06 0.01 -0.30 0.87 0.86 0.00 0.00 177.93 179.43 1fe8 h LYS 1107N 0.00 0.00 0.00 2.45 1.79 -1.51 -2.98 116.57 116.32 1fe8 h LYS 1107Ca -0.00 0.00 -0.14 0.00 -2.18 0.00 0.00 60.65 58.33 1fe8 h LYS 1107Cb 0.07 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.69 1fe8 h LYS 1107CO 0.00 0.30 -0.91 -0.07 -1.08 0.00 0.00 179.45 177.68 1fe8 h LEU 1108N 0.00 0.00 -7.99 2.94 4.07 -1.17 -3.47 115.31 109.69 1fe8 h LEU 1108Ca -0.00 0.00 0.05 0.00 0.08 0.00 0.00 57.88 58.01 1fe8 h LEU 1108Cb 0.56 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.29 1fe8 h LEU 1108CO 0.04 0.60 0.40 0.00 -1.08 0.00 0.00 178.44 178.39