#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k2o s ASP 919 N 0.00 6.96 -0.02 7.28 2.15 -1.26 -4.95 116.67 126.83 2k2o s ASP 919 Ca 0.00 1.86 -0.30 0.00 0.43 0.00 0.00 52.55 54.54 2k2o s ASP 919 Cb 0.00 -2.55 -0.06 0.00 -0.30 0.00 0.00 42.92 40.01 2k2o s ASP 919 CO 0.00 -0.68 1.50 -2.84 -0.17 0.00 0.00 175.17 172.98 2k2o s PRO 920 N 2.71 4.23 0.03 4.34 0.02 -1.26 -4.88 135.00 140.20 2k2o s PRO 920 Ca 0.58 2.07 0.26 0.00 0.02 0.00 0.00 61.00 63.93 2k2o s PRO 920 Cb -0.26 -3.70 0.74 0.00 0.02 0.00 0.00 34.50 31.30 2k2o s PRO 920 CO 0.21 -0.69 1.59 1.19 -0.33 0.00 0.00 177.00 178.98 2k2o n PHE 921 N 5.99 0.15 -3.37 6.54 3.72 -1.26 -4.58 117.46 124.66 2k2o n PHE 921 Ca 0.15 0.04 -0.14 0.00 -0.05 0.00 0.00 57.45 57.45 2k2o n PHE 921 Cb 0.43 -0.44 -0.08 0.00 -0.94 0.00 0.00 39.48 38.44 2k2o n PHE 921 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 2k2o s THR 922 N -3.03 -0.50 -0.60 4.37 2.01 -1.26 -5.07 115.64 111.56 2k2o s THR 922 Ca 0.11 -0.39 -0.06 0.00 0.31 0.00 0.00 61.69 61.67 2k2o s THR 922 Cb 0.17 -0.97 0.16 0.00 0.01 0.00 0.00 72.50 71.87 2k2o s THR 922 CO 0.64 -0.38 0.44 0.00 -0.69 0.00 0.00 174.62 174.64 2k2o s ALA 923 N 2.44 3.57 -0.30 7.40 0.00 -1.26 -5.06 121.76 128.55 2k2o s ALA 923 Ca 0.10 -3.05 -0.09 0.00 0.00 0.00 0.00 51.96 48.92 2k2o s ALA 923 Cb -0.13 -2.79 -0.01 0.00 0.00 0.00 0.00 23.12 20.19 2k2o s ALA 923 CO -0.30 -2.05 0.13 0.34 0.00 0.00 0.00 175.76 173.87 2k2o s ASP 924 N 1.42 5.47 -0.13 0.00 2.15 -1.26 -4.88 116.67 119.43 2k2o s ASP 924 Ca 0.14 -0.44 0.15 0.00 0.43 0.00 0.00 52.55 52.82 2k2o s ASP 924 Cb -0.20 -1.98 0.45 0.00 -0.30 0.00 0.00 42.92 40.88 2k2o s ASP 924 CO -0.04 -0.15 1.35 0.00 -0.17 0.00 0.00 175.17 176.16 2k2o n ALA 925 N 4.97 2.72 0.00 3.66 0.00 -1.26 -4.91 120.51 125.69 2k2o n ALA 925 Ca -0.14 -2.00 0.00 0.00 0.00 0.00 0.00 53.44 51.29 2k2o n ALA 925 Cb 0.50 -0.61 0.00 0.00 0.00 0.00 0.00 19.45 19.34 2k2o n ALA 925 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k2o n GLY 926 N -0.31 0.69 0.00 0.00 0.00 -1.26 -5.15 105.19 99.17 2k2o n GLY 926 Ca 0.18 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.44 2k2o n GLY 926 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2k2o n HIS 927 N 0.00 0.00 -3.63 1.61 8.25 -1.26 -4.67 115.22 115.52 2k2o n HIS 927 Ca 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.43 2k2o n HIS 927 Cb 0.00 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.06 2k2o n HIS 927 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 2k2o s THR 928 N 3.03 -0.52 -0.09 1.59 2.01 -1.26 -4.74 115.64 115.65 2k2o s THR 928 Ca 0.00 0.00 -0.19 0.00 0.31 0.00 0.00 61.69 61.81 2k2o s THR 928 Cb 0.00 -1.00 0.04 0.00 0.01 0.00 0.00 72.50 71.55 2k2o s THR 928 CO 0.00 0.00 0.46 -1.83 -0.69 0.00 0.00 174.62 172.56 2k2o s GLU 929 N 2.29 0.71 -0.00 4.92 1.03 -1.26 0.87 118.70 127.26 2k2o s GLU 929 Ca -0.07 0.25 -0.02 0.00 0.03 0.00 0.00 54.97 55.16 2k2o s GLU 929 Cb -0.08 0.33 -0.00 0.00 -0.80 0.00 0.00 34.13 33.57 2k2o s GLU 929 CO -0.19 -0.17 0.03 0.12 -1.33 0.00 0.00 175.26 173.72 2k2o s PHE 930 N -0.66 0.05 -0.03 4.83 5.36 -0.14 -4.97 117.98 122.42 2k2o s PHE 930 Ca -0.08 -0.09 -0.30 0.00 -0.96 0.00 0.00 56.93 55.50 2k2o s PHE 930 Cb -0.03 -0.05 -0.04 0.00 -0.34 0.00 0.00 43.02 42.56 2k2o s PHE 930 CO 0.04 -0.09 1.25 0.99 -1.46 0.00 0.00 175.22 175.95 2k2o s THR 931 N -0.52 4.10 0.19 0.12 2.01 -1.26 -1.22 115.64 119.05 2k2o s THR 931 Ca -0.06 1.45 0.04 0.00 0.31 0.00 0.00 61.69 63.43 2k2o s THR 931 Cb -0.04 -3.93 -0.03 0.00 0.01 0.00 0.00 72.50 68.51 2k2o s THR 931 CO -0.00 0.01 0.28 -0.62 -0.69 0.00 0.00 174.62 173.59 2k2o s ASP 932 N 1.53 6.14 0.02 3.53 -1.08 -0.08 -4.92 116.67 121.81 2k2o s ASP 932 Ca 0.58 0.06 -0.11 0.00 -0.52 0.00 0.00 52.55 52.56 2k2o s ASP 932 Cb -0.27 -1.78 0.01 0.00 -1.46 0.00 0.00 42.92 39.42 2k2o s ASP 932 CO 0.24 0.01 0.24 -1.83 0.52 0.00 0.00 175.17 174.35 2k2o s GLU 933 N -3.48 0.67 0.27 4.34 -1.05 -1.26 -1.26 118.70 116.93 2k2o s GLU 933 Ca 0.34 -0.43 0.01 0.00 -0.15 0.00 0.00 54.97 54.73 2k2o s GLU 933 Cb -0.10 0.29 -0.03 0.00 -0.44 0.00 0.00 34.13 33.85 2k2o s GLU 933 CO 0.28 -0.19 0.26 0.54 0.95 0.00 0.00 175.26 177.10 2k2o s VAL 934 N -1.97 0.00 0.05 1.83 0.11 -0.64 -4.96 120.40 114.81 2k2o s VAL 934 Ca -0.09 -1.90 0.02 0.00 -2.93 0.00 0.00 61.98 57.08 2k2o s VAL 934 Cb -0.03 -2.50 -0.03 0.00 -1.53 0.00 0.00 36.38 32.29 2k2o s VAL 934 CO -0.00 0.00 -0.08 -0.31 -3.33 0.00 0.00 175.10 171.37 2k2o s TYR 935 N -3.72 0.72 -0.09 1.54 1.51 -0.50 -1.02 117.35 115.79 2k2o s TYR 935 Ca 0.37 -0.51 0.02 0.00 -1.01 0.00 0.00 57.07 55.94 2k2o s TYR 935 Cb 0.04 -0.43 0.01 0.00 -0.11 0.00 0.00 41.96 41.47 2k2o s TYR 935 CO 0.19 -0.08 -0.15 -1.14 -1.11 0.00 0.00 175.55 173.27 2k2o s GLN 936 N -1.68 2.08 0.04 -0.62 0.74 -0.18 -1.18 119.66 118.86 2k2o s GLN 936 Ca -0.09 -0.53 0.01 0.00 0.05 0.00 0.00 55.36 54.81 2k2o s GLN 936 Cb -0.09 -1.73 -0.03 0.00 1.10 0.00 0.00 33.01 32.26 2k2o s GLN 936 CO 0.00 -0.01 -0.05 0.54 -0.55 0.00 0.00 175.29 175.22 2k2o s ASN 937 N 0.81 0.62 0.12 6.67 6.03 -0.47 -1.67 114.94 127.05 2k2o s ASN 937 Ca -0.11 -0.63 0.02 0.00 -1.03 0.00 0.00 52.86 51.11 2k2o s ASN 937 Cb -0.16 0.08 -0.04 0.00 -3.03 0.00 0.00 41.25 38.11 2k2o s ASN 937 CO 0.02 -0.31 -0.05 -1.61 -2.03 0.00 0.00 177.10 173.11 2k2o s GLU 938 N -2.05 0.92 0.04 3.55 2.02 -1.12 -3.04 118.70 119.02 2k2o s GLU 938 Ca -0.08 -1.39 0.03 0.00 0.02 0.00 0.00 54.97 53.55 2k2o s GLU 938 Cb -0.06 -0.25 -0.02 0.00 0.10 0.00 0.00 34.13 33.89 2k2o s GLU 938 CO -0.02 -0.04 -0.10 -1.54 0.02 0.00 0.00 175.26 173.58 2k2o s SER 939 N -3.09 1.21 0.12 -0.19 1.04 -0.15 -2.95 113.70 109.70 2k2o s SER 939 Ca 0.15 -0.49 -0.11 0.00 0.48 0.00 0.00 55.95 55.98 2k2o s SER 939 Cb 0.05 -0.03 0.01 0.00 0.10 0.00 0.00 66.02 66.15 2k2o s SER 939 CO -0.02 -0.09 0.27 0.00 0.98 0.00 0.00 173.24 174.38 2k2o s ARG 940 N -1.36 0.99 0.81 4.02 1.70 -0.33 -1.26 118.95 123.52 2k2o s ARG 940 Ca -0.04 -0.95 -0.12 0.00 -0.47 0.00 0.00 55.73 54.15 2k2o s ARG 940 Cb -0.09 0.39 0.08 0.00 -0.57 0.00 0.00 34.95 34.76 2k2o s ARG 940 CO 0.01 -0.35 1.14 0.71 -1.08 0.00 0.00 175.30 175.72 2k2o s TYR 941 N -3.87 2.11 -0.75 5.89 2.02 -1.26 -4.39 117.35 117.10 2k2o s TYR 941 Ca 0.07 1.66 -0.26 0.00 -0.37 0.00 0.00 57.07 58.17 2k2o s TYR 941 Cb 0.04 -3.25 -0.10 0.00 -0.40 0.00 0.00 41.96 38.24 2k2o s TYR 941 CO -0.08 -2.33 2.28 -2.14 -1.57 0.00 0.00 175.55 171.71 2k2o s PRO 942 N -4.54 1.94 0.00 -1.71 0.02 -1.26 -2.85 135.00 126.60 2k2o s PRO 942 Ca 0.66 0.49 0.00 0.00 0.02 0.00 0.00 61.00 62.17 2k2o s PRO 942 Cb -0.22 -4.78 0.00 0.00 0.02 0.00 0.00 34.50 29.52 2k2o s PRO 942 CO 0.53 -3.93 0.00 0.41 -0.33 0.00 0.00 177.00 173.68 2k2o n GLY 943 N 6.62 0.64 0.00 0.52 0.00 -0.94 -4.88 105.19 107.15 2k2o n GLY 943 Ca 0.42 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.79 2k2o n GLY 943 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k2o n GLY 944 N -0.15 3.02 2.84 -0.02 0.00 -1.13 -5.15 105.19 104.60 2k2o n GLY 944 Ca 0.00 0.03 -0.17 0.00 0.00 0.00 0.00 46.02 45.88 2k2o n GLY 944 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2k2o s ASP 945 N 2.00 0.45 0.44 1.61 1.11 -1.26 -4.95 116.67 116.07 2k2o s ASP 945 Ca 0.00 -0.04 -0.21 0.00 0.18 0.00 0.00 52.55 52.48 2k2o s ASP 945 Cb 0.00 -0.22 -0.10 0.00 1.07 0.00 0.00 42.92 43.66 2k2o s ASP 945 CO 0.00 -0.08 0.97 0.26 1.18 0.00 0.00 175.17 177.50 2k2o s TRP 946 N 0.87 3.24 0.16 4.23 0.52 -1.26 -4.35 118.94 122.36 2k2o s TRP 946 Ca -0.09 1.60 0.00 0.00 0.02 0.00 0.00 56.10 57.63 2k2o s TRP 946 Cb -0.12 -2.90 -0.04 0.00 -1.15 0.00 0.00 33.47 29.26 2k2o s TRP 946 CO -0.01 -0.26 0.05 0.15 0.02 0.00 0.00 176.95 176.90 2k2o s LYS 947 N -3.19 1.06 0.03 4.98 1.02 -0.39 -4.91 119.74 118.34 2k2o s LYS 947 Ca 0.63 -1.52 -0.37 0.00 0.02 0.00 0.00 55.97 54.73 2k2o s LYS 947 Cb -0.11 0.04 -0.16 0.00 -0.52 0.00 0.00 37.83 37.08 2k2o s LYS 947 CO 0.14 -0.24 1.46 -2.30 -0.92 0.00 0.00 175.35 173.50 2k2o n PRO 948 N -0.20 1.31 -0.18 -1.68 -0.02 -1.26 -0.97 135.00 132.00 2k2o n PRO 948 Ca -0.04 0.47 -0.03 0.00 -2.02 0.00 0.00 63.50 61.88 2k2o n PRO 948 Cb 0.64 -2.15 0.03 0.00 -0.02 0.00 0.00 33.50 32.00 2k2o n PRO 948 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2k2o h ALA 949 N 5.35 0.19 0.00 3.55 0.00 -1.80 -3.42 119.26 123.14 2k2o h ALA 949 Ca -0.47 0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2k2o h ALA 949 Cb 1.32 0.56 0.00 0.00 0.00 0.00 0.00 17.79 19.67 2k2o h ALA 949 CO 0.83 -0.54 0.00 -0.85 0.00 0.00 0.00 179.25 178.69 2k2o n GLU 950 N -5.42 0.00 -3.74 0.00 0.28 -1.26 -4.74 120.64 105.75 2k2o n GLU 950 Ca 0.05 0.00 -0.29 0.00 -0.16 0.00 0.00 57.16 56.75 2k2o n GLU 950 Cb 0.33 0.00 -0.15 0.00 1.43 0.00 0.00 31.44 33.04 2k2o n GLU 950 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 2k2o s ASP 951 N 0.00 3.83 0.05 -1.84 1.01 -1.26 -5.04 116.67 113.42 2k2o s ASP 951 Ca 0.00 -1.47 -0.20 0.00 0.71 0.00 0.00 52.55 51.59 2k2o s ASP 951 Cb 0.00 -0.83 -0.13 0.00 1.01 0.00 0.00 42.92 42.97 2k2o s ASP 951 CO 0.00 -0.39 1.38 0.74 0.21 0.00 0.00 175.17 177.12 2k2o h THR 952 N 6.50 1.32 -3.28 -1.27 2.02 -1.94 -3.42 112.91 112.85 2k2o h THR 952 Ca -0.14 -1.21 -0.62 0.00 0.77 0.00 0.00 66.41 65.20 2k2o h THR 952 Cb 1.03 1.76 -0.17 0.00 -1.74 0.00 0.00 68.15 69.03 2k2o h THR 952 CO 0.45 0.36 -0.58 -0.31 0.37 0.00 0.00 175.52 175.80 2k2o s TYR 953 N -4.46 3.21 0.26 3.16 2.02 -1.26 -1.37 117.35 118.91 2k2o s TYR 953 Ca -0.14 0.02 -0.03 0.00 -0.37 0.00 0.00 57.07 56.54 2k2o s TYR 953 Cb 0.06 -2.04 -0.02 0.00 -0.40 0.00 0.00 41.96 39.56 2k2o s TYR 953 CO 0.75 0.14 0.32 0.95 -1.57 0.00 0.00 175.55 176.15 2k2o s THR 954 N 0.28 0.00 0.48 -0.71 -4.23 -0.33 -1.96 115.64 109.18 2k2o s THR 954 Ca 0.02 -1.75 0.06 0.00 -1.18 0.00 0.00 61.69 58.84 2k2o s THR 954 Cb -0.13 -2.45 0.03 0.00 1.34 0.00 0.00 72.50 71.29 2k2o s THR 954 CO 0.01 0.00 0.66 -0.62 -0.54 0.00 0.00 174.62 174.13 2k2o s ASP 955 N -3.17 5.47 0.56 3.99 -1.08 0.12 -1.41 116.67 121.16 2k2o s ASP 955 Ca 0.33 -0.32 0.31 0.00 -0.52 0.00 0.00 52.55 52.34 2k2o s ASP 955 Cb 0.03 -0.65 1.45 0.00 -1.46 0.00 0.00 42.92 42.29 2k2o s ASP 955 CO 0.15 -0.94 1.84 0.00 0.52 0.00 0.00 175.17 176.74 2k2o h ALA 956 N 0.40 2.61 -0.14 3.66 0.00 -1.93 0.27 119.26 124.13 2k2o h ALA 956 Ca -0.40 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.48 2k2o h ALA 956 Cb 1.29 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.13 2k2o h ALA 956 CO 0.47 -1.03 0.00 0.27 0.00 0.00 0.00 179.25 178.96 2k2o n ASN 957 N -3.95 2.48 0.00 0.00 0.23 -1.26 -4.92 115.26 107.84 2k2o n ASN 957 Ca 0.15 -1.82 0.00 0.00 -0.53 0.00 0.00 54.58 52.38 2k2o n ASN 957 Cb 0.91 -0.08 0.00 0.00 -2.08 0.00 0.00 39.78 38.53 2k2o n ASN 957 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2k2o n GLY 958 N 1.30 0.45 3.47 4.83 0.00 0.95 -5.00 105.19 111.18 2k2o n GLY 958 Ca 0.17 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.71 2k2o n GLY 958 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2k2o n ASP 959 N 0.00 2.11 -4.41 1.61 2.03 -1.26 -4.58 116.55 112.05 2k2o n ASP 959 Ca 0.00 0.29 -0.54 0.00 0.52 0.00 0.00 54.79 55.06 2k2o n ASP 959 Cb 0.00 -1.29 -0.09 0.00 -0.72 0.00 0.00 41.12 39.02 2k2o n ASP 959 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 2k2o n LYS 960 N 8.34 0.74 -4.74 -0.67 3.00 -1.26 -0.70 118.16 122.86 2k2o n LYS 960 Ca 0.42 0.21 -0.33 0.00 -0.00 0.00 0.00 58.31 58.61 2k2o n LYS 960 Cb 0.26 -2.12 -0.07 0.00 0.00 0.00 0.00 35.03 33.11 2k2o n LYS 960 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2k2o n ALA 961 N 8.61 0.46 -1.78 3.14 0.00 -0.83 -4.93 120.51 125.19 2k2o n ALA 961 Ca 0.44 -2.34 -0.36 0.00 0.00 0.00 0.00 53.44 51.18 2k2o n ALA 961 Cb 0.13 1.30 -0.04 0.00 0.00 0.00 0.00 19.45 20.85 2k2o n ALA 961 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k2o s ALA 962 N -2.92 3.05 0.61 0.00 0.00 -1.26 -4.66 121.76 116.57 2k2o s ALA 962 Ca 0.02 0.71 -0.14 0.00 0.00 0.00 0.00 51.96 52.55 2k2o s ALA 962 Cb 0.00 -3.28 -0.03 0.00 0.00 0.00 0.00 23.12 19.81 2k2o s ALA 962 CO 0.01 -0.26 1.04 -1.12 0.00 0.00 0.00 175.76 175.43 2k2o s SER 963 N -1.61 5.87 0.60 0.00 0.01 -1.26 -4.70 113.70 112.60 2k2o s SER 963 Ca 0.60 1.67 0.28 0.00 1.31 0.00 0.00 55.95 59.81 2k2o s SER 963 Cb -0.22 -2.51 1.41 0.00 0.21 0.00 0.00 66.02 64.92 2k2o s SER 963 CO 0.27 -1.11 1.82 -0.65 0.41 0.00 0.00 173.24 173.98 2k2o h PRO 964 N 0.10 0.00 -0.02 12.44 0.11 -1.96 0.28 132.00 142.95 2k2o h PRO 964 Ca -0.46 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.64 2k2o h PRO 964 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2k2o h PRO 964 CO 0.58 0.00 -0.03 0.66 -0.21 0.00 0.00 178.00 179.01 2k2o h SER 965 N 0.00 0.05 0.37 -2.05 4.64 -2.03 -3.11 113.55 111.42 2k2o h SER 965 Ca 0.22 -0.56 -0.05 0.00 -0.47 0.00 0.00 61.79 60.92 2k2o h SER 965 Cb 1.33 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 63.40 2k2o h SER 965 CO -0.00 0.61 -0.25 -0.33 -0.87 0.00 0.00 176.83 175.98 2k2o h GLU 966 N -0.50 0.00 -6.22 4.77 4.39 -1.27 -3.41 114.58 112.34 2k2o h GLU 966 Ca 0.00 0.00 -0.58 0.00 0.34 0.00 0.00 59.36 59.12 2k2o h GLU 966 Cb 0.60 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.23 2k2o h GLU 966 CO 0.01 0.25 1.30 -0.51 -1.16 0.00 0.00 179.01 178.90 2k2o s LEU 967 N -7.94 3.55 0.00 1.33 1.43 0.76 -4.93 118.68 112.89 2k2o s LEU 967 Ca -0.03 1.49 0.02 0.00 -1.03 0.00 0.00 54.13 54.58 2k2o s LEU 967 Cb 0.14 -3.52 -0.01 0.00 0.03 0.00 0.00 46.19 42.83 2k2o s LEU 967 CO 0.67 -1.69 0.09 0.35 0.23 0.00 0.00 176.35 176.01 2k2o n THR 968 N 7.34 0.00 -3.40 5.49 -2.24 -1.26 -4.90 114.28 115.31 2k2o n THR 968 Ca 0.24 -2.49 -0.38 0.00 -2.27 0.00 0.00 64.05 59.15 2k2o n THR 968 Cb 0.46 0.73 -0.08 0.00 -2.10 0.00 0.00 70.33 69.35 2k2o n THR 968 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2k2o s PRO 970 N 1.35 2.93 -0.48 0.00 0.04 -1.25 -4.87 135.00 132.72 2k2o s PRO 970 Ca 0.18 0.63 -0.26 0.00 0.04 0.00 0.00 61.00 61.59 2k2o s PRO 970 Cb -0.15 -2.01 -0.07 0.00 0.04 0.00 0.00 34.50 32.31 2k2o s PRO 970 CO 0.08 -1.02 2.41 -0.35 0.04 0.00 0.00 177.00 178.15 2k2o n PRO 971 N -3.03 1.09 0.00 0.56 -0.04 -1.26 -0.36 135.00 131.96 2k2o n PRO 971 Ca 0.07 0.04 0.00 0.00 -0.04 0.00 0.00 63.50 63.57 2k2o n PRO 971 Cb 0.56 -3.39 0.00 0.00 -0.04 0.00 0.00 33.50 30.63 2k2o n PRO 971 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2k2o n GLY 972 N 6.01 0.58 2.97 0.55 0.00 -1.26 -4.93 105.19 109.10 2k2o n GLY 972 Ca 0.37 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.29 2k2o n GLY 972 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2k2o s TRP 973 N -1.27 0.10 0.13 1.61 0.52 0.51 -4.59 118.94 115.95 2k2o s TRP 973 Ca 0.00 -0.21 0.04 0.00 0.02 0.00 0.00 56.10 55.95 2k2o s TRP 973 Cb 0.00 -0.09 -0.04 0.00 -1.15 0.00 0.00 33.47 32.19 2k2o s TRP 973 CO 0.00 -0.14 -0.11 -2.00 0.02 0.00 0.00 176.95 174.72 2k2o s GLU 974 N -0.85 0.98 0.20 4.98 2.56 0.26 -3.85 118.70 122.98 2k2o s GLU 974 Ca -0.09 -1.32 -0.12 0.00 0.00 0.00 0.00 54.97 53.44 2k2o s GLU 974 Cb -0.06 -0.64 -0.07 0.00 2.00 0.00 0.00 34.13 35.36 2k2o s GLU 974 CO -0.00 0.09 0.56 -1.58 -0.56 0.00 0.00 175.26 173.77 2k2o s TRP 975 N -2.84 3.49 -0.09 5.30 0.52 -1.26 -0.72 118.94 123.34 2k2o s TRP 975 Ca 0.12 0.96 -0.01 0.00 0.02 0.00 0.00 56.10 57.19 2k2o s TRP 975 Cb -0.00 -2.32 -0.05 0.00 -1.15 0.00 0.00 33.47 29.95 2k2o s TRP 975 CO 0.01 0.32 -0.10 -1.91 0.02 0.00 0.00 176.95 175.29 2k2o n GLU 976 N 0.21 0.21 -1.76 4.98 2.13 -1.23 -4.77 120.64 120.41 2k2o n GLU 976 Ca -0.02 0.07 -0.31 0.00 0.66 0.00 0.00 57.16 57.56 2k2o n GLU 976 Cb 0.52 -1.05 0.03 0.00 0.27 0.00 0.00 31.44 31.22 2k2o n GLU 976 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 2k2o s ASP 977 N -5.24 5.72 -0.13 4.31 1.01 -1.18 -5.05 116.67 116.11 2k2o s ASP 977 Ca -0.12 1.41 -0.09 0.00 0.71 0.00 0.00 52.55 54.46 2k2o s ASP 977 Cb 0.04 -2.35 -0.07 0.00 1.01 0.00 0.00 42.92 41.55 2k2o s ASP 977 CO 0.19 -1.20 0.08 -0.78 0.21 0.00 0.00 175.17 173.67 2k2o h ASP 978 N -0.55 0.00 -4.23 0.27 3.58 -1.96 -3.49 116.42 110.04 2k2o h ASP 978 Ca -0.44 -0.20 -0.08 0.00 0.42 0.00 0.00 57.03 56.73 2k2o h ASP 978 Cb 1.21 0.00 -0.22 0.00 1.72 0.00 0.00 39.33 42.05 2k2o h ASP 978 CO 0.61 0.76 -0.04 0.00 -2.88 0.00 0.00 179.24 177.69 2k2o s ALA 979 N -2.54 -1.39 0.15 -0.78 0.00 -1.26 -5.13 121.76 110.80 2k2o s ALA 979 Ca -0.10 1.42 -0.31 0.00 0.00 0.00 0.00 51.96 52.96 2k2o s ALA 979 Cb 0.01 -0.67 -0.09 0.00 0.00 0.00 0.00 23.12 22.37 2k2o s ALA 979 CO 0.23 -0.28 1.47 -1.58 0.00 0.00 0.00 175.76 175.59 2k2o s TRP 980 N -0.12 3.15 0.27 0.00 0.52 -1.26 -4.93 118.94 116.58 2k2o s TRP 980 Ca -0.03 0.83 0.05 0.00 0.02 0.00 0.00 56.10 56.96 2k2o s TRP 980 Cb -0.03 -3.79 -0.06 0.00 -1.15 0.00 0.00 33.47 28.44 2k2o s TRP 980 CO 0.03 -2.82 -0.01 -1.12 0.02 0.00 0.00 176.95 173.05 2k2o s SER 981 N 1.04 2.26 0.33 2.95 0.01 -1.15 -4.87 113.70 114.27 2k2o s SER 981 Ca 0.66 -1.25 -0.27 0.00 1.31 0.00 0.00 55.95 56.40 2k2o s SER 981 Cb -0.40 -0.07 -0.09 0.00 0.21 0.00 0.00 66.02 65.67 2k2o s SER 981 CO 0.32 -0.48 1.08 -0.72 0.41 0.00 0.00 173.24 173.85 2k2o s TYR 982 N -3.26 3.43 -0.26 2.43 1.13 -1.26 -0.68 117.35 118.88 2k2o s TYR 982 Ca 0.31 1.67 -0.13 0.00 -1.41 0.00 0.00 57.07 57.51 2k2o s TYR 982 Cb 0.06 -3.23 -0.04 0.00 -1.10 0.00 0.00 41.96 37.64 2k2o s TYR 982 CO 0.11 -0.63 0.26 0.34 -2.51 0.00 0.00 175.55 173.13 2k2o s ASP 983 N -1.16 6.17 -0.19 -0.18 2.15 0.38 -4.82 116.67 119.02 2k2o s ASP 983 Ca 0.50 0.18 0.15 0.00 0.43 0.00 0.00 52.55 53.82 2k2o s ASP 983 Cb -0.28 -2.16 0.45 0.00 -0.30 0.00 0.00 42.92 40.63 2k2o s ASP 983 CO 0.36 -0.06 1.34 2.30 -0.17 0.00 0.00 175.17 178.94 2k2o n ILE 984 N 4.78 2.23 -0.93 4.11 -6.64 -1.26 -4.52 119.36 117.12 2k2o n ILE 984 Ca -0.12 -2.26 -0.14 0.00 -1.77 0.00 0.00 62.75 58.46 2k2o n ILE 984 Cb 0.51 -0.27 0.21 0.00 -1.44 0.00 0.00 39.64 38.66 2k2o n ILE 984 CO 0.00 0.00 0.00 -3.20 -1.77 0.00 0.00 176.55 171.58 2k2o n ASN 985 N -0.94 4.09 -2.61 7.28 5.15 -1.26 -4.88 115.26 122.10 2k2o n ASN 985 Ca 0.22 -3.29 -0.14 0.00 -0.60 0.00 0.00 54.58 50.77 2k2o n ASN 985 Cb 0.84 -0.77 -0.05 0.00 -0.53 0.00 0.00 39.78 39.27 2k2o n ASN 985 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 2k2o n ARG 986 N -0.59 0.35 -2.66 1.20 1.74 -1.26 -5.06 116.66 110.38 2k2o n ARG 986 Ca 0.47 -2.37 -0.42 0.00 -0.77 0.00 0.00 57.85 54.75 2k2o n ARG 986 Cb 1.45 2.01 -0.01 0.00 -1.02 0.00 0.00 32.46 34.88 2k2o n ARG 986 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2k2o s ALA 987 N -2.89 3.18 0.04 7.54 0.00 -1.26 -4.91 121.76 123.47 2k2o s ALA 987 Ca 0.28 -2.71 -0.02 0.00 0.00 0.00 0.00 51.96 49.50 2k2o s ALA 987 Cb 0.01 -4.47 -0.03 0.00 0.00 0.00 0.00 23.12 18.63 2k2o s ALA 987 CO 0.20 -3.32 0.01 0.14 0.00 0.00 0.00 175.76 172.79 2k2o s VAL 988 N 4.00 0.18 1.13 0.00 -7.23 -1.26 -3.38 120.40 113.83 2k2o s VAL 988 Ca 0.47 -1.47 -0.18 0.00 -1.81 0.00 0.00 61.98 58.99 2k2o s VAL 988 Cb 0.01 -1.16 0.13 0.00 0.56 0.00 0.00 36.38 35.92 2k2o s VAL 988 CO -0.02 -0.81 0.13 -0.67 -0.31 0.00 0.00 175.10 173.42 2k2o n ASP 989 N 0.50 -2.30 -0.13 4.85 2.03 0.74 -4.59 116.55 117.65 2k2o n ASP 989 Ca -0.17 -0.12 0.13 0.00 0.52 0.00 0.00 54.79 55.15 2k2o n ASP 989 Cb 0.60 -1.00 0.49 0.00 -0.72 0.00 0.00 41.12 40.49 2k2o n ASP 989 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 2k2o h GLU 990 N -2.14 0.43 -0.68 -0.67 5.08 -1.94 0.26 114.58 114.91 2k2o h GLU 990 Ca -0.55 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.79 2k2o h GLU 990 Cb 1.36 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.51 2k2o h GLU 990 CO 0.40 0.28 0.00 1.63 -1.00 0.00 0.00 179.01 180.32 2k2o n LYS 991 N -4.48 3.00 -2.18 2.33 5.02 -1.26 -4.96 118.16 115.64 2k2o n LYS 991 Ca 0.12 -2.60 -0.04 0.00 -2.02 0.00 0.00 58.31 53.78 2k2o n LYS 991 Cb 0.45 -1.67 0.00 0.00 -0.02 0.00 0.00 35.03 33.79 2k2o n LYS 991 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2k2o n GLY 992 N 1.42 -1.34 3.13 0.72 0.00 0.93 -4.92 105.19 105.14 2k2o n GLY 992 Ca 0.24 0.53 -0.12 0.00 0.00 0.00 0.00 46.02 46.67 2k2o n GLY 992 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2k2o s TRP 993 N -1.69 -0.40 0.10 1.61 0.52 -1.25 -4.62 118.94 113.20 2k2o s TRP 993 Ca 0.11 0.92 0.05 0.00 0.02 0.00 0.00 56.10 57.20 2k2o s TRP 993 Cb -0.03 0.12 -0.04 0.00 -1.15 0.00 0.00 33.47 32.37 2k2o s TRP 993 CO 0.39 -0.25 0.03 -1.83 0.02 0.00 0.00 176.95 175.31 2k2o s GLU 994 N 1.13 2.63 -0.83 4.98 -1.05 -0.07 -0.18 118.70 125.31 2k2o s GLU 994 Ca -0.08 -0.84 -0.25 0.00 -0.15 0.00 0.00 54.97 53.65 2k2o s GLU 994 Cb -0.09 -2.57 0.00 0.00 -0.44 0.00 0.00 34.13 31.03 2k2o s GLU 994 CO -0.08 0.53 1.65 -0.47 0.95 0.00 0.00 175.26 177.84 2k2o s TYR 995 N -1.41 2.06 -0.42 4.83 6.14 -0.24 -3.39 117.35 124.94 2k2o s TYR 995 Ca 0.27 0.14 -0.05 0.00 0.64 0.00 0.00 57.07 58.07 2k2o s TYR 995 Cb -0.11 -4.35 0.10 0.00 0.42 0.00 0.00 41.96 38.02 2k2o s TYR 995 CO 0.20 -2.01 0.23 0.20 0.64 0.00 0.00 175.55 174.81 2k2o s GLY 996 N 6.32 1.98 -0.12 8.97 0.00 -0.99 -3.46 107.32 120.01 2k2o s GLY 996 Ca 0.55 -2.43 -0.02 0.00 0.00 0.00 0.00 44.72 42.82 2k2o s GLY 996 CO 0.06 1.02 -0.06 -1.50 0.00 0.00 0.00 173.10 172.61 2k2o s ILE 997 N 1.24 3.72 -0.41 0.90 2.07 -1.26 -0.17 121.20 127.29 2k2o s ILE 997 Ca 0.06 -0.44 0.03 0.00 -1.41 0.00 0.00 60.65 58.89 2k2o s ILE 997 Cb -0.23 -2.58 0.11 0.00 0.13 0.00 0.00 42.46 39.88 2k2o s ILE 997 CO -0.02 0.53 0.14 -0.89 -1.91 0.00 0.00 174.94 172.79 2k2o s THR 998 N -0.02 2.58 0.07 4.00 2.01 -1.26 -4.37 115.64 118.64 2k2o s THR 998 Ca 0.00 -2.58 -0.29 0.00 0.31 0.00 0.00 61.69 59.14 2k2o s THR 998 Cb -0.13 -2.84 -0.05 0.00 0.01 0.00 0.00 72.50 69.49 2k2o s THR 998 CO 0.03 -0.68 0.91 0.27 -0.69 0.00 0.00 174.62 174.46 2k2o s ILE 999 N 0.59 4.64 0.38 1.82 -5.25 -1.26 -4.93 121.20 117.19 2k2o s ILE 999 Ca 0.12 1.94 -0.26 0.00 -0.99 0.00 0.00 60.65 61.46 2k2o s ILE 999 Cb -0.21 -4.26 -0.09 0.00 2.95 0.00 0.00 42.46 40.85 2k2o s ILE 999 CO -0.05 0.30 1.17 -2.16 -1.79 0.00 0.00 174.94 172.41 2k2o s PRO 1000N 0.20 4.14 0.06 0.37 0.04 -1.26 -3.82 135.00 134.73 2k2o s PRO 1000Ca 0.45 1.87 -0.11 0.00 0.04 0.00 0.00 61.00 63.25 2k2o s PRO 1000Cb -0.22 -2.76 -0.06 0.00 0.04 0.00 0.00 34.50 31.51 2k2o s PRO 1000CO 0.27 -0.26 0.41 -1.25 0.04 0.00 0.00 177.00 176.22 2k2o s PRO 1001N -2.18 3.81 0.00 0.56 0.05 -1.26 -5.18 135.00 130.80 2k2o s PRO 1001Ca 0.55 0.25 0.00 0.00 0.05 0.00 0.00 61.00 61.85 2k2o s PRO 1001Cb -0.31 -3.05 0.00 0.00 0.05 0.00 0.00 34.50 31.19 2k2o s PRO 1001CO 0.40 0.59 0.00 -3.47 0.05 0.00 0.00 177.00 174.57 2k2o n ASP 1002N 1.12 0.00 -1.92 6.66 -0.08 -1.25 -5.07 116.55 116.01 2k2o n ASP 1002Ca -0.09 0.00 0.02 0.00 -1.51 0.00 0.00 54.79 53.20 2k2o n ASP 1002Cb 0.52 0.00 0.03 0.00 2.34 0.00 0.00 41.12 44.01 2k2o n ASP 1002CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2k2o n HIS 1003N -0.50 0.31 -3.60 -0.67 1.44 -1.26 -4.91 115.22 106.02 2k2o n HIS 1003Ca 0.00 -1.06 -0.03 0.00 -2.01 0.00 0.00 57.72 54.63 2k2o n HIS 1003Cb 0.00 -0.06 -0.05 0.00 0.12 0.00 0.00 29.99 30.00 2k2o n HIS 1003CO 0.00 0.00 0.00 0.15 -2.81 0.00 0.00 176.34 173.68 2k2o s LYS 1004N -1.18 0.53 0.10 -1.40 1.02 -1.26 -5.13 119.74 112.43 2k2o s LYS 1004Ca 0.28 1.11 -0.31 0.00 0.02 0.00 0.00 55.97 57.08 2k2o s LYS 1004Cb 0.34 0.44 -0.09 0.00 -0.52 0.00 0.00 37.83 38.00 2k2o s LYS 1004CO -0.12 -0.15 1.67 -2.14 -0.92 0.00 0.00 175.35 173.70 2k2o s PRO 1005N 2.17 4.19 0.00 -1.68 0.02 -1.26 -4.78 135.00 133.65 2k2o s PRO 1005Ca -0.07 2.39 0.15 0.00 0.02 0.00 0.00 61.00 63.49 2k2o s PRO 1005Cb -0.07 -3.49 0.35 0.00 0.02 0.00 0.00 34.50 31.31 2k2o s PRO 1005CO -0.18 -0.73 1.27 0.36 -0.33 0.00 0.00 177.00 177.39 2k2o n LYS 1006N 5.22 2.44 -3.80 5.54 2.85 -1.26 -4.93 118.16 124.21 2k2o n LYS 1006Ca 0.16 -2.07 -0.13 0.00 -1.05 0.00 0.00 58.31 55.22 2k2o n LYS 1006Cb 0.39 -1.35 -0.13 0.00 -0.65 0.00 0.00 35.03 33.29 2k2o n LYS 1006CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 2k2o s SER 1007N -1.06 -0.16 -0.00 -5.58 0.15 -1.26 -5.15 113.70 100.63 2k2o s SER 1007Ca 0.29 0.32 0.03 0.00 0.70 0.00 0.00 55.95 57.28 2k2o s SER 1007Cb 0.16 0.30 -0.01 0.00 -1.71 0.00 0.00 66.02 64.76 2k2o s SER 1007CO 0.21 -0.07 -0.08 0.26 1.20 0.00 0.00 173.24 174.76 2k2o s TRP 1008N 0.30 0.74 0.03 3.44 0.52 -1.23 -4.25 118.94 118.49 2k2o s TRP 1008Ca -0.02 -0.15 0.00 0.00 0.02 0.00 0.00 56.10 55.96 2k2o s TRP 1008Cb -0.03 -0.47 -0.03 0.00 -1.15 0.00 0.00 33.47 31.79 2k2o s TRP 1008CO -0.01 -0.01 -0.04 0.08 0.02 0.00 0.00 176.95 176.99 2k2o s VAL 1009N -0.22 0.21 -0.72 4.03 1.01 -1.22 -4.83 120.40 118.66 2k2o s VAL 1009Ca 0.03 -1.19 -0.27 0.00 0.00 0.00 0.00 61.98 60.55 2k2o s VAL 1009Cb -0.03 -0.67 0.02 0.00 0.00 0.00 0.00 36.38 35.70 2k2o s VAL 1009CO -0.00 -0.62 1.34 0.00 0.00 0.00 0.00 175.10 175.81 2k2o s ALA 1010N -2.14 2.70 0.00 5.51 0.00 -1.22 -1.07 121.76 125.54 2k2o s ALA 1010Ca -0.08 -1.26 0.00 0.00 0.00 0.00 0.00 51.96 50.61 2k2o s ALA 1010Cb -0.05 -4.25 0.00 0.00 0.00 0.00 0.00 23.12 18.82 2k2o s ALA 1010CO -0.03 -3.33 0.00 0.00 0.00 0.00 0.00 175.76 172.40 2k2o n ALA 1011N 9.71 0.00 -3.15 0.00 0.00 -1.26 -4.75 120.51 121.06 2k2o n ALA 1011Ca 0.05 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.54 2k2o n ALA 1011Cb 0.49 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.94 2k2o n ALA 1011CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2k2o s GLU 1012N -1.00 0.22 0.16 0.00 -6.30 -1.26 -4.22 118.70 106.30 2k2o s GLU 1012Ca 0.00 0.29 -0.03 0.00 -2.50 0.00 0.00 54.97 52.73 2k2o s GLU 1012Cb 0.00 0.15 -0.03 0.00 0.00 0.00 0.00 34.13 34.25 2k2o s GLU 1012CO 0.00 -0.33 0.13 0.15 0.02 0.00 0.00 175.26 175.23 2k2o s LYS 1013N 2.94 1.07 0.22 4.30 1.02 -1.26 -5.08 119.74 122.95 2k2o s LYS 1013Ca 0.14 -1.45 -0.09 0.00 0.02 0.00 0.00 55.97 54.59 2k2o s LYS 1013Cb -0.07 0.28 0.33 0.00 -0.52 0.00 0.00 37.83 37.85 2k2o s LYS 1013CO -0.18 -0.34 1.68 1.98 -0.92 0.00 0.00 175.35 177.57 2k2o h MET 1014N 2.72 0.18 0.00 1.68 -1.53 -2.01 -0.92 114.93 115.04 2k2o h MET 1014Ca -0.34 -0.01 0.00 0.00 -3.44 0.00 0.00 59.70 55.91 2k2o h MET 1014Cb 1.22 -0.04 0.00 0.00 -0.55 0.00 0.00 31.60 32.23 2k2o h MET 1014CO 0.55 0.12 0.00 0.66 0.14 0.00 0.00 176.91 178.37 2k2o n TYR 1015N -5.22 0.00 -1.60 1.39 4.01 -1.26 -2.22 117.16 112.27 2k2o n TYR 1015Ca 0.10 0.00 -0.44 0.00 -0.16 0.00 0.00 57.90 57.40 2k2o n TYR 1015Cb 0.37 -0.04 -0.03 0.00 -0.31 0.00 0.00 39.34 39.32 2k2o n TYR 1015CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 2k2o n HIS 1016N -1.04 1.99 -0.06 -0.72 8.25 -0.35 -4.45 115.22 118.84 2k2o n HIS 1016Ca 0.03 -0.12 -0.07 0.00 -0.26 0.00 0.00 57.72 57.30 2k2o n HIS 1016Cb 0.01 -2.72 -0.15 0.00 1.12 0.00 0.00 29.99 28.26 2k2o n HIS 1016CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 2k2o n THR 1017N 7.50 1.30 -4.06 1.59 -2.24 -0.78 -4.24 114.28 113.35 2k2o n THR 1017Ca 0.30 -0.79 -0.08 0.00 -2.27 0.00 0.00 64.05 61.20 2k2o n THR 1017Cb 0.43 -0.60 -0.10 0.00 -2.10 0.00 0.00 70.33 67.95 2k2o n THR 1017CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2k2o s HIS 1018N -2.66 0.49 -0.07 4.78 3.76 0.77 -1.19 115.29 121.17 2k2o s HIS 1018Ca -0.08 -0.85 -0.14 0.00 -0.15 0.00 0.00 55.06 53.84 2k2o s HIS 1018Cb 0.08 -0.34 0.03 0.00 1.11 0.00 0.00 32.58 33.45 2k2o s HIS 1018CO 0.83 -0.28 0.34 -0.98 -0.85 0.00 0.00 174.74 173.80 2k2o s ARG 1019N -3.00 0.57 0.18 1.40 1.70 -1.15 -2.35 118.95 116.30 2k2o s ARG 1019Ca -0.01 0.11 -0.05 0.00 -0.47 0.00 0.00 55.73 55.31 2k2o s ARG 1019Cb 0.01 0.26 -0.03 0.00 -0.57 0.00 0.00 34.95 34.63 2k2o s ARG 1019CO -0.06 -0.13 0.21 1.03 -1.08 0.00 0.00 175.30 175.27 2k2o s ARG 1020N -0.68 1.17 0.04 3.89 0.52 -1.22 -2.81 118.95 119.87 2k2o s ARG 1020Ca -0.08 -1.39 -0.24 0.00 -0.52 0.00 0.00 55.73 53.51 2k2o s ARG 1020Cb -0.04 0.33 0.06 0.00 0.52 0.00 0.00 34.95 35.81 2k2o s ARG 1020CO 0.03 -0.41 0.56 -0.98 0.02 0.00 0.00 175.30 174.52 2k2o s ARG 1021N -4.05 1.06 -0.05 3.54 1.70 -0.67 -0.89 118.95 119.58 2k2o s ARG 1021Ca 0.26 -0.17 -0.19 0.00 -0.47 0.00 0.00 55.73 55.16 2k2o s ARG 1021Cb 0.05 0.49 -0.05 0.00 -0.57 0.00 0.00 34.95 34.87 2k2o s ARG 1021CO 0.05 -0.39 0.54 0.50 -1.08 0.00 0.00 175.30 174.92 2k2o s ARG 1022N -2.37 4.29 -0.18 3.89 3.52 -1.26 -1.01 118.95 125.83 2k2o s ARG 1022Ca -0.06 0.60 -0.08 0.00 -0.13 0.00 0.00 55.73 56.06 2k2o s ARG 1022Cb -0.01 -3.37 -0.04 0.00 -1.56 0.00 0.00 34.95 29.97 2k2o s ARG 1022CO -0.01 0.30 0.09 -0.51 -0.81 0.00 0.00 175.30 174.36 2k2o s LEU 1023N 0.09 4.00 -0.00 -0.88 1.43 -0.19 -0.47 118.68 122.66 2k2o s LEU 1023Ca 0.29 0.16 0.01 0.00 -1.03 0.00 0.00 54.13 53.56 2k2o s LEU 1023Cb -0.17 -2.02 -0.04 0.00 0.03 0.00 0.00 46.19 44.00 2k2o s LEU 1023CO 0.14 0.19 0.04 0.68 0.23 0.00 0.00 176.35 177.63 2k2o s VAL 1024N 0.26 4.40 -0.29 -1.59 -7.23 0.15 -1.62 120.40 114.47 2k2o s VAL 1024Ca 0.06 -0.52 -0.06 0.00 -1.81 0.00 0.00 61.98 59.64 2k2o s VAL 1024Cb -0.12 -2.99 0.15 0.00 0.56 0.00 0.00 36.38 33.98 2k2o s VAL 1024CO -0.01 0.36 0.60 -0.60 -0.31 0.00 0.00 175.10 175.15 2k2o s ARG 1025N -1.65 0.55 0.31 4.82 6.06 -0.39 -2.96 118.95 125.70 2k2o s ARG 1025Ca 0.21 1.22 -0.27 0.00 -2.50 0.00 0.00 55.73 54.39 2k2o s ARG 1025Cb -0.12 0.66 -0.09 0.00 0.06 0.00 0.00 34.95 35.46 2k2o s ARG 1025CO 0.12 -0.37 1.04 0.21 -2.50 0.00 0.00 175.30 173.79 2k2o s LYS 1026N 2.85 4.53 0.03 5.12 2.36 -1.26 -0.90 119.74 132.46 2k2o s LYS 1026Ca 0.05 1.60 0.04 0.00 -2.55 0.00 0.00 55.97 55.11 2k2o s LYS 1026Cb -0.13 -2.96 -0.02 0.00 -1.05 0.00 0.00 37.83 33.67 2k2o s LYS 1026CO -0.19 0.17 -0.13 -0.98 1.55 0.00 0.00 175.35 175.77 2k2o s ARG 1027N -1.80 0.91 -0.02 4.03 1.70 -0.36 -3.12 118.95 120.28 2k2o s ARG 1027Ca 0.49 -0.67 0.02 0.00 -0.47 0.00 0.00 55.73 55.10 2k2o s ARG 1027Cb -0.26 -0.89 0.01 0.00 -0.57 0.00 0.00 34.95 33.23 2k2o s ARG 1027CO 0.33 0.23 -0.07 0.21 -1.08 0.00 0.00 175.30 174.92 2k2o s LYS 1028N -0.94 0.75 0.33 3.89 2.20 0.10 -0.96 119.74 125.10 2k2o s LYS 1028Ca 0.02 -0.21 0.22 0.00 -0.36 0.00 0.00 55.97 55.64 2k2o s LYS 1028Cb -0.07 -0.73 0.17 0.00 -1.51 0.00 0.00 37.83 35.69 2k2o s LYS 1028CO 0.01 0.06 1.34 -0.22 -0.36 0.00 0.00 175.35 176.18 2k2o h LYS 1029N 6.50 0.00 0.00 4.03 3.64 0.25 0.76 116.57 131.75 2k2o h LYS 1029Ca -0.34 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.04 2k2o h LYS 1029Cb 1.17 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 2k2o h LYS 1029CO 0.49 0.02 0.00 -3.47 -2.27 0.00 0.00 179.45 174.22 2k2o n ASP 1030N -2.92 0.00 0.00 4.20 2.03 -1.21 -3.45 116.55 115.20 2k2o n ASP 1030Ca 0.02 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.33 2k2o n ASP 1030Cb 0.55 -0.66 0.00 0.00 -0.72 0.00 0.00 41.12 40.29 2k2o n ASP 1030CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 2k2o n LEU 1031N 0.00 0.00 -0.24 -2.67 7.94 -1.26 -4.33 117.00 116.44 2k2o n LEU 1031Ca 0.00 0.00 0.14 0.00 -1.11 0.00 0.00 56.01 55.04 2k2o n LEU 1031Cb 0.00 0.00 0.52 0.00 0.53 0.00 0.00 43.42 44.47 2k2o n LEU 1031CO 0.00 0.00 0.80 0.35 -1.11 0.00 0.00 177.39 177.43 2k2o n THR 1032N -2.00 0.00 0.57 1.96 -2.24 -1.23 -3.49 114.28 107.85 2k2o n THR 1032Ca 0.00 -0.12 0.09 0.00 -2.27 0.00 0.00 64.05 61.75 2k2o n THR 1032Cb 0.00 0.20 0.26 0.00 -2.10 0.00 0.00 70.33 68.69 2k2o n THR 1032CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2k2o n GLN 1033N -0.59 2.13 -3.47 -0.78 6.02 -1.22 -4.91 117.38 114.57 2k2o n GLN 1033Ca 0.15 -1.74 -0.15 0.00 -0.01 0.00 0.00 57.00 55.26 2k2o n GLN 1033Cb 0.31 -1.42 -0.04 0.00 1.02 0.00 0.00 30.24 30.12 2k2o n GLN 1033CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.06 175.97 2k2o s THR 1034N -1.46 0.00 -0.06 5.09 -1.32 -1.23 -4.68 115.64 111.98 2k2o s THR 1034Ca 0.34 0.00 -0.01 0.00 -1.21 0.00 0.00 61.69 60.82 2k2o s THR 1034Cb 0.19 -1.00 -0.03 0.00 -1.51 0.00 0.00 72.50 70.14 2k2o s THR 1034CO 0.25 0.00 -0.06 0.00 -2.21 0.00 0.00 174.62 172.60 2k2o n ALA 1035N 0.20 2.12 0.00 11.08 0.00 -1.14 -4.95 120.51 127.83 2k2o n ALA 1035Ca -0.18 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.02 2k2o n ALA 1035Cb 0.61 0.39 0.00 0.00 0.00 0.00 0.00 19.45 20.45 2k2o n ALA 1035CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2k2o n SER 1036N -2.87 0.00 -1.94 0.00 2.88 -1.26 -5.11 113.62 105.31 2k2o n SER 1036Ca -0.11 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.37 2k2o n SER 1036Cb 0.60 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 64.05 2k2o n SER 1036CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2k2o n SER 1037N -0.47 -0.73 0.23 -3.46 7.64 -1.26 -4.98 113.62 110.59 2k2o n SER 1037Ca 0.00 -1.89 -0.15 0.00 1.01 0.00 0.00 58.87 57.84 2k2o n SER 1037Cb 0.00 1.32 -0.08 0.00 -1.01 0.00 0.00 64.21 64.44 2k2o n SER 1037CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 2k2o h THR 1038N 1.49 0.61 -0.30 0.44 2.02 -1.93 -2.81 112.91 112.42 2k2o h THR 1038Ca -0.14 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 67.03 2k2o h THR 1038Cb 0.58 0.62 0.00 0.00 -1.74 0.00 0.00 68.15 67.61 2k2o h THR 1038CO 0.18 0.00 0.00 0.00 0.37 0.00 0.00 175.52 176.07 2k2o n ALA 1039N -2.32 2.47 -0.33 6.16 0.00 -1.26 -4.93 120.51 120.30 2k2o n ALA 1039Ca -0.11 -0.67 0.00 0.00 0.00 0.00 0.00 53.44 52.66 2k2o n ALA 1039Cb 0.23 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.67 2k2o n ALA 1039CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04