#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jnu s SER 930 N 0.00 6.93 0.10 3.14 0.15 -1.26 -4.62 113.70 118.14 1jnu s SER 930 Ca 0.00 1.13 -0.25 0.00 0.70 0.00 0.00 55.95 57.53 1jnu s SER 930 Cb 0.00 -2.42 0.08 0.00 -1.71 0.00 0.00 66.02 61.97 1jnu s SER 930 CO 0.00 -0.26 0.72 0.72 1.20 0.00 0.00 173.24 175.62 1jnu s PHE 931 N 1.55 -0.44 0.11 3.44 -0.12 -1.26 -1.44 117.98 119.82 1jnu s PHE 931 Ca 0.37 0.25 -0.00 0.00 -0.05 0.00 0.00 56.93 57.49 1jnu s PHE 931 Cb -0.17 0.56 -0.04 0.00 -0.63 0.00 0.00 43.02 42.74 1jnu s PHE 931 CO 0.15 -0.75 0.00 0.14 -0.05 0.00 0.00 175.22 174.70 1jnu s VAL 932 N -3.51 0.32 -0.09 -2.49 -7.23 -0.47 -1.10 120.40 105.82 1jnu s VAL 932 Ca 0.03 -1.89 0.03 0.00 -1.81 0.00 0.00 61.98 58.33 1jnu s VAL 932 Cb -0.01 -1.84 0.01 0.00 0.56 0.00 0.00 36.38 35.10 1jnu s VAL 932 CO -0.10 -0.69 -0.16 -0.63 -0.31 0.00 0.00 175.10 173.20 1jnu s ILE 933 N -3.88 1.51 0.17 -0.62 1.01 0.11 -1.58 121.20 117.92 1jnu s ILE 933 Ca 0.17 -0.68 0.09 0.00 0.00 0.00 0.00 60.65 60.23 1jnu s ILE 933 Cb 0.07 -1.35 -0.04 0.00 0.01 0.00 0.00 42.46 41.14 1jnu s ILE 933 CO -0.02 0.44 -0.13 0.28 0.00 0.00 0.00 174.94 175.51 1jnu s THR 934 N 0.69 3.04 -0.42 2.92 -1.32 -0.35 -0.80 115.64 119.42 1jnu s THR 934 Ca -0.13 -1.68 -0.01 0.00 -1.21 0.00 0.00 61.69 58.66 1jnu s THR 934 Cb -0.16 -2.48 0.11 0.00 -1.51 0.00 0.00 72.50 68.46 1jnu s THR 934 CO 0.03 -0.08 0.19 -0.62 -2.21 0.00 0.00 174.62 171.94 1jnu s ASP 935 N -2.70 5.12 0.00 8.08 -1.08 -0.94 -1.96 116.67 123.20 1jnu s ASP 935 Ca 0.23 -2.16 0.13 0.00 -0.52 0.00 0.00 52.55 50.23 1jnu s ASP 935 Cb -0.09 -1.78 0.62 0.00 -1.46 0.00 0.00 42.92 40.21 1jnu s ASP 935 CO 0.14 -0.49 1.32 -0.81 0.52 0.00 0.00 175.17 175.85 1jnu n PRO 936 N 4.38 0.16 -0.03 4.34 -0.04 -1.26 -2.05 135.00 140.51 1jnu n PRO 936 Ca 0.00 0.18 0.13 0.00 -0.04 0.00 0.00 63.50 63.77 1jnu n PRO 936 Cb 0.41 -1.50 0.54 0.00 -0.04 0.00 0.00 33.50 32.90 1jnu n PRO 936 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1jnu n ARG 937 N -1.30 1.53 -4.18 0.54 3.00 -1.26 -4.72 116.66 110.27 1jnu n ARG 937 Ca 0.06 -0.79 -0.23 0.00 -0.01 0.00 0.00 57.85 56.88 1jnu n ARG 937 Cb 0.10 -1.44 -0.06 0.00 0.00 0.00 0.00 32.46 31.07 1jnu n ARG 937 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1jnu s LEU 938 N -1.82 3.57 0.04 0.55 1.43 -0.87 -5.06 118.68 116.52 1jnu s LEU 938 Ca 0.36 -0.37 -0.30 0.00 -1.03 0.00 0.00 54.13 52.79 1jnu s LEU 938 Cb 0.19 -2.12 -0.08 0.00 0.03 0.00 0.00 46.19 44.21 1jnu s LEU 938 CO 0.30 0.00 1.67 -2.16 0.23 0.00 0.00 176.35 176.39 1jnu s PRO 939 N -3.60 4.19 0.00 1.29 0.04 -1.26 -2.31 135.00 133.35 1jnu s PRO 939 Ca 0.32 2.31 0.00 0.00 0.04 0.00 0.00 61.00 63.67 1jnu s PRO 939 Cb -0.08 -3.72 0.00 0.00 0.04 0.00 0.00 34.50 30.74 1jnu s PRO 939 CO 0.22 -0.77 0.00 -3.47 0.04 0.00 0.00 177.00 173.03 1jnu n ASP 940 N 6.06 -2.99 -3.66 6.66 2.03 -1.26 -4.37 116.55 119.03 1jnu n ASP 940 Ca 0.16 0.00 -0.27 0.00 0.52 0.00 0.00 54.79 55.21 1jnu n ASP 940 Cb 0.41 -0.50 0.04 0.00 -0.72 0.00 0.00 41.12 40.35 1jnu n ASP 940 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1jnu n ASN 941 N 0.01 -4.14 -4.76 1.67 4.05 -0.98 -4.59 115.26 106.54 1jnu n ASN 941 Ca 0.00 -0.94 -0.36 0.00 0.45 0.00 0.00 54.58 53.73 1jnu n ASN 941 Cb 0.00 -3.71 0.03 0.00 1.23 0.00 0.00 39.78 37.32 1jnu n ASN 941 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 1jnu s PRO 942 N -5.83 3.12 -0.15 1.20 0.04 -1.26 -4.60 135.00 127.52 1jnu s PRO 942 Ca 0.33 1.88 -0.29 0.00 0.04 0.00 0.00 61.00 62.96 1jnu s PRO 942 Cb -0.10 -2.05 -0.02 0.00 0.04 0.00 0.00 34.50 32.37 1jnu s PRO 942 CO 0.84 -1.10 1.30 0.42 0.04 0.00 0.00 177.00 178.50 1jnu s ILE 943 N -1.54 4.21 -0.48 0.56 1.01 -0.78 -2.21 121.20 121.97 1jnu s ILE 943 Ca 0.75 1.47 0.16 0.00 0.00 0.00 0.00 60.65 63.02 1jnu s ILE 943 Cb -0.32 -3.95 -0.20 0.00 0.01 0.00 0.00 42.46 38.00 1jnu s ILE 943 CO 0.35 -0.13 0.56 2.30 0.00 0.00 0.00 174.94 178.03 1jnu n ILE 944 N 5.36 0.00 -3.71 2.92 -5.35 0.02 -0.68 119.36 117.92 1jnu n ILE 944 Ca 0.14 -0.22 -0.12 0.00 -0.27 0.00 0.00 62.75 62.28 1jnu n ILE 944 Cb 0.45 0.67 -0.10 0.00 -1.74 0.00 0.00 39.64 38.92 1jnu n ILE 944 CO 0.00 0.00 0.00 0.12 -1.76 0.00 0.00 176.55 174.91 1jnu s PHE 945 N -2.75 -0.55 -0.04 4.28 5.36 -0.98 -4.97 117.98 118.34 1jnu s PHE 945 Ca 0.02 1.26 -0.01 0.00 -0.96 0.00 0.00 56.93 57.23 1jnu s PHE 945 Cb 0.12 0.22 0.03 0.00 -0.34 0.00 0.00 43.02 43.05 1jnu s PHE 945 CO 0.67 -0.29 0.05 0.00 -1.46 0.00 0.00 175.22 174.19 1jnu s ALA 946 N 0.74 0.18 1.01 11.12 0.00 -1.26 0.05 121.76 133.61 1jnu s ALA 946 Ca -0.04 0.23 -0.12 0.00 0.00 0.00 0.00 51.96 52.03 1jnu s ALA 946 Cb -0.05 -0.52 0.20 0.00 0.00 0.00 0.00 23.12 22.74 1jnu s ALA 946 CO -0.05 -0.39 1.08 -1.54 0.00 0.00 0.00 175.76 174.86 1jnu s SER 947 N 1.88 2.30 0.07 0.00 1.04 -0.26 -4.89 113.70 113.83 1jnu s SER 947 Ca 0.01 1.64 -0.21 0.00 0.48 0.00 0.00 55.95 57.87 1jnu s SER 947 Cb -0.12 -2.29 -0.11 0.00 0.10 0.00 0.00 66.02 63.59 1jnu s SER 947 CO -0.03 -3.40 1.55 0.44 0.98 0.00 0.00 173.24 172.78 1jnu h ASP 948 N -2.07 0.24 -0.84 7.02 3.32 -1.90 -2.89 116.42 119.30 1jnu h ASP 948 Ca -0.53 -0.24 0.21 0.00 0.02 0.00 0.00 57.03 56.49 1jnu h ASP 948 Cb 1.30 -0.06 -0.05 0.00 0.22 0.00 0.00 39.33 40.74 1jnu h ASP 948 CO 0.50 0.42 0.58 0.03 -1.72 0.00 0.00 179.24 179.05 1jnu h ARG 949 N 0.05 0.21 -0.13 3.56 -0.00 -1.93 -0.80 114.38 115.34 1jnu h ARG 949 Ca 0.05 -0.01 -0.01 0.00 -0.50 0.00 0.00 59.98 59.50 1jnu h ARG 949 Cb 0.28 -0.05 -0.01 0.00 0.00 0.00 0.00 29.97 30.19 1jnu h ARG 949 CO 0.00 0.14 0.04 0.35 0.00 0.00 0.00 179.97 180.50 1jnu h PHE 950 N 0.22 0.21 -0.35 3.04 3.57 -1.79 0.47 116.94 122.31 1jnu h PHE 950 Ca 0.42 -0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.85 1jnu h PHE 950 Cb 1.30 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.96 1jnu h PHE 950 CO -0.00 0.33 0.02 -0.07 -2.23 0.00 0.00 178.31 176.36 1jnu h LEU 951 N 0.03 0.50 0.52 0.59 3.38 -1.18 -0.68 115.31 118.47 1jnu h LEU 951 Ca 0.04 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 1jnu h LEU 951 Cb 0.22 -0.13 0.01 0.00 0.09 0.00 0.00 40.66 40.85 1jnu h LEU 951 CO -0.00 0.56 -0.25 -0.08 0.09 0.00 0.00 178.44 178.75 1jnu h GLU 952 N 0.52 -0.67 -0.86 1.13 4.81 -0.98 0.74 114.58 119.26 1jnu h GLU 952 Ca 0.11 0.05 0.13 0.00 -0.13 0.00 0.00 59.36 59.51 1jnu h GLU 952 Cb 0.31 0.15 -0.09 0.00 0.63 0.00 0.00 28.75 29.75 1jnu h GLU 952 CO 0.01 -0.37 0.48 1.25 -0.73 0.00 0.00 179.01 179.64 1jnu h LEU 953 N -0.93 0.64 -0.86 1.64 5.85 -0.60 -2.40 115.31 118.65 1jnu h LEU 953 Ca -0.07 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1jnu h LEU 953 Cb 0.61 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.60 1jnu h LEU 953 CO 0.12 0.31 -0.28 0.35 -0.34 0.00 0.00 178.44 178.61 1jnu n THR 954 N -4.79 0.00 -1.27 1.05 -2.24 -0.29 -4.87 114.28 101.87 1jnu n THR 954 Ca 0.16 -0.22 -0.09 0.00 -2.27 0.00 0.00 64.05 61.62 1jnu n THR 954 Cb 0.37 0.80 -0.04 0.00 -2.10 0.00 0.00 70.33 69.36 1jnu n THR 954 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1jnu n GLU 955 N -0.15 -1.38 -2.80 -0.78 1.02 0.24 -1.41 120.64 115.38 1jnu n GLU 955 Ca 0.12 0.79 -0.20 0.00 -0.02 0.00 0.00 57.16 57.86 1jnu n GLU 955 Cb 0.41 -5.01 0.04 0.00 -0.02 0.00 0.00 31.44 26.86 1jnu n GLU 955 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1jnu s TYR 956 N -1.99 2.55 -0.06 -0.32 1.51 -1.15 -4.70 117.35 113.20 1jnu s TYR 956 Ca 0.00 -0.25 0.01 0.00 -1.01 0.00 0.00 57.07 55.82 1jnu s TYR 956 Cb 0.00 -2.59 -0.03 0.00 -0.11 0.00 0.00 41.96 39.23 1jnu s TYR 956 CO 0.00 -0.83 -0.07 -0.08 -1.11 0.00 0.00 175.55 173.46 1jnu s THR 957 N -2.65 3.70 0.40 -0.71 -1.32 -1.26 -4.73 115.64 109.07 1jnu s THR 957 Ca 0.58 -0.50 0.24 0.00 -1.21 0.00 0.00 61.69 60.80 1jnu s THR 957 Cb -0.09 -2.52 0.42 0.00 -1.51 0.00 0.00 72.50 68.80 1jnu s THR 957 CO 0.37 0.58 1.65 -0.09 -2.21 0.00 0.00 174.62 174.93 1jnu h ARG 958 N 5.19 0.18 0.00 7.08 2.43 -1.98 0.68 114.38 127.96 1jnu h ARG 958 Ca -0.49 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 58.62 1jnu h ARG 958 Cb 1.17 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.67 1jnu h ARG 958 CO 0.52 0.12 -0.24 0.93 -1.51 0.00 0.00 179.97 179.79 1jnu h GLU 959 N 0.18 0.00 -0.00 0.20 3.07 -1.95 -2.62 114.58 113.47 1jnu h GLU 959 Ca 0.77 0.00 -0.05 0.00 -0.50 0.00 0.00 59.36 59.58 1jnu h GLU 959 Cb 2.16 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 30.08 1jnu h GLU 959 CO -0.47 0.24 -0.19 0.93 -1.40 0.00 0.00 179.01 178.13 1jnu h GLU 960 N 0.00 0.13 0.40 2.33 5.08 -0.04 -3.39 114.58 119.10 1jnu h GLU 960 Ca -0.00 -0.14 -0.02 0.00 -1.00 0.00 0.00 59.36 58.20 1jnu h GLU 960 Cb 0.46 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.75 1jnu h GLU 960 CO 0.03 0.88 -0.19 -0.39 -1.00 0.00 0.00 179.01 178.34 1jnu h VAL 961 N -0.56 0.40 -1.23 3.13 -1.51 -1.46 -3.43 116.25 111.58 1jnu h VAL 961 Ca -0.02 -0.62 -0.78 0.00 -1.23 0.00 0.00 66.70 64.05 1jnu h VAL 961 Cb 0.95 0.60 0.04 0.00 -2.13 0.00 0.00 31.29 30.75 1jnu h VAL 961 CO 0.04 0.08 0.41 0.18 -1.23 0.00 0.00 177.57 177.05 1jnu n LEU 962 N -5.16 0.99 0.00 4.19 4.77 -0.99 -0.65 117.00 120.14 1jnu n LEU 962 Ca -0.09 1.15 0.00 0.00 -0.03 0.00 0.00 56.01 57.03 1jnu n LEU 962 Cb 0.28 -1.00 0.00 0.00 -2.33 0.00 0.00 43.42 40.37 1jnu n LEU 962 CO 0.26 -1.26 0.00 0.61 -1.33 0.00 0.00 177.39 175.67 1jnu n GLY 963 N 2.69 1.02 3.71 -0.72 0.00 0.14 -4.97 105.19 107.06 1jnu n GLY 963 Ca 0.23 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.93 1jnu n GLY 963 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1jnu s ASN 964 N -2.27 5.25 0.37 1.61 0.01 0.17 -4.67 114.94 115.41 1jnu s ASN 964 Ca 0.00 0.01 -0.27 0.00 -0.71 0.00 0.00 52.86 51.89 1jnu s ASN 964 Cb 0.00 -1.39 -0.09 0.00 0.41 0.00 0.00 41.25 40.18 1jnu s ASN 964 CO 0.00 0.26 1.20 0.21 -1.51 0.00 0.00 177.10 177.26 1jnu s ASN 965 N -1.71 6.64 0.57 -1.22 3.84 -1.26 -1.87 114.94 119.93 1jnu s ASN 965 Ca 0.21 2.44 0.26 0.00 0.21 0.00 0.00 52.86 55.98 1jnu s ASN 965 Cb -0.12 -2.63 1.62 0.00 -0.55 0.00 0.00 41.25 39.58 1jnu s ASN 965 CO 0.12 -0.60 2.16 0.00 -2.79 0.00 0.00 177.10 175.99 1jnu n ARG 967 N -4.01 0.05 0.00 0.00 1.85 -1.26 -1.82 116.66 111.47 1jnu n ARG 967 Ca -0.00 0.46 0.03 0.00 -1.00 0.00 0.00 57.85 57.34 1jnu n ARG 967 Cb 0.22 -2.06 0.20 0.00 -1.05 0.00 0.00 32.46 29.76 1jnu n ARG 967 CO 0.00 0.00 0.00 1.97 -0.01 0.00 0.00 177.63 179.59 1jnu n PHE 968 N -1.78 0.00 0.98 2.89 -1.74 -1.23 -1.88 117.46 114.70 1jnu n PHE 968 Ca -0.00 0.00 0.10 0.00 -0.56 0.00 0.00 57.45 56.99 1jnu n PHE 968 Cb 0.41 0.00 -0.08 0.00 1.52 0.00 0.00 39.48 41.33 1jnu n PHE 968 CO 0.00 0.00 0.00 1.28 -0.56 0.00 0.00 176.76 177.48 1jnu n LEU 969 N -0.72 0.92 -4.88 5.98 4.77 -0.76 -4.97 117.00 117.35 1jnu n LEU 969 Ca 0.05 -0.43 -0.30 0.00 -0.03 0.00 0.00 56.01 55.30 1jnu n LEU 969 Cb 0.02 -0.03 0.05 0.00 -2.33 0.00 0.00 43.42 41.13 1jnu n LEU 969 CO 0.04 0.23 0.75 -1.10 -1.33 0.00 0.00 177.39 175.98 1jnu s GLN 970 N -3.01 2.85 0.00 3.23 -0.21 -0.79 -1.05 119.66 120.68 1jnu s GLN 970 Ca 0.08 0.47 0.00 0.00 0.02 0.00 0.00 55.36 55.93 1jnu s GLN 970 Cb 0.16 -2.02 0.00 0.00 1.00 0.00 0.00 33.01 32.15 1jnu s GLN 970 CO 0.85 -1.04 0.00 0.41 -2.12 0.00 0.00 175.29 173.39 1jnu n GLY 971 N -2.97 2.65 0.36 3.09 0.00 -1.26 -4.81 105.19 102.24 1jnu n GLY 971 Ca 0.07 -1.17 0.06 0.00 0.00 0.00 0.00 46.02 44.97 1jnu n GLY 971 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1jnu h ARG 972 N 0.00 0.83 -0.01 1.61 2.47 -1.98 -2.29 114.38 115.01 1jnu h ARG 972 Ca 0.00 -0.05 0.00 0.00 -1.26 0.00 0.00 59.98 58.67 1jnu h ARG 972 Cb 0.00 -0.19 0.00 0.00 -1.65 0.00 0.00 29.97 28.13 1jnu h ARG 972 CO 0.00 0.55 -0.03 0.41 0.56 0.00 0.00 179.97 181.46 1jnu n GLY 973 N -1.43 -0.67 3.68 0.04 0.00 -1.26 -4.88 105.19 100.67 1jnu n GLY 973 Ca 0.12 -0.30 -0.42 0.00 0.00 0.00 0.00 46.02 45.42 1jnu n GLY 973 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jnu s THR 974 N -2.13 3.97 0.12 2.61 2.01 -0.87 -4.93 115.64 116.42 1jnu s THR 974 Ca 0.39 1.29 -0.31 0.00 0.31 0.00 0.00 61.69 63.37 1jnu s THR 974 Cb 0.21 -3.83 -0.09 0.00 0.01 0.00 0.00 72.50 68.80 1jnu s THR 974 CO 0.39 -0.04 1.53 -0.62 -0.69 0.00 0.00 174.62 175.19 1jnu s ASP 975 N 1.93 6.67 0.41 3.53 -1.08 -1.26 -4.91 116.67 121.95 1jnu s ASP 975 Ca 0.61 2.47 0.22 0.00 -0.52 0.00 0.00 52.55 55.33 1jnu s ASP 975 Cb -0.28 -2.58 0.41 0.00 -1.46 0.00 0.00 42.92 39.02 1jnu s ASP 975 CO 0.23 -0.79 1.62 0.03 0.52 0.00 0.00 175.17 176.78 1jnu h ARG 976 N 7.23 0.00 -0.17 4.34 3.08 -1.98 -2.97 114.38 123.91 1jnu h ARG 976 Ca -0.42 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.57 1jnu h ARG 976 Cb 1.20 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.24 1jnu h ARG 976 CO 0.90 0.16 -0.17 0.87 -1.07 0.00 0.00 179.97 180.67 1jnu h LYS 977 N 0.00 0.28 -0.02 0.04 1.79 -1.99 0.68 116.57 117.34 1jnu h LYS 977 Ca -0.00 -0.07 -0.02 0.00 -2.18 0.00 0.00 60.65 58.37 1jnu h LYS 977 Cb 1.04 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.65 1jnu h LYS 977 CO 0.02 0.45 -0.07 0.00 -1.08 0.00 0.00 179.45 178.77 1jnu h ALA 978 N 1.57 0.04 -0.02 3.86 0.00 -1.91 -2.77 119.26 120.03 1jnu h ALA 978 Ca 0.05 -0.33 0.01 0.00 0.00 0.00 0.00 54.91 54.63 1jnu h ALA 978 Cb 0.45 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 1jnu h ALA 978 CO 0.03 -0.10 0.02 0.28 0.00 0.00 0.00 179.25 179.47 1jnu h VAL 979 N -0.49 0.69 -0.11 0.00 2.07 -1.33 -1.75 116.25 115.33 1jnu h VAL 979 Ca -0.00 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.49 1jnu h VAL 979 Cb 0.68 0.99 -0.00 0.00 -1.52 0.00 0.00 31.29 31.43 1jnu h VAL 979 CO 0.01 0.00 -0.04 1.56 0.02 0.00 0.00 177.57 179.12 1jnu h GLN 980 N 0.00 0.23 0.14 1.57 4.20 -0.73 -1.98 115.11 118.54 1jnu h GLN 980 Ca 0.01 -0.10 0.02 0.00 0.06 0.00 0.00 58.65 58.64 1jnu h GLN 980 Cb 0.05 -0.01 -0.04 0.00 0.30 0.00 0.00 27.48 27.78 1jnu h GLN 980 CO -0.00 0.56 -0.39 -0.07 -0.67 0.00 0.00 178.83 178.26 1jnu h LEU 981 N -0.11 -1.14 -0.77 1.46 3.38 -1.05 -0.84 115.31 116.24 1jnu h LEU 981 Ca 0.03 0.13 0.16 0.00 0.09 0.00 0.00 57.88 58.29 1jnu h LEU 981 Cb 0.49 0.43 -0.11 0.00 0.09 0.00 0.00 40.66 41.55 1jnu h LEU 981 CO 0.01 -0.47 0.24 0.40 0.09 0.00 0.00 178.44 178.71 1jnu h ILE 982 N -0.63 0.54 -0.89 1.22 2.04 -1.46 0.16 117.51 118.49 1jnu h ILE 982 Ca 0.02 -0.11 0.01 0.00 1.00 0.00 0.00 64.86 65.78 1jnu h ILE 982 Cb 0.66 0.18 -0.05 0.00 -0.74 0.00 0.00 36.82 36.87 1jnu h ILE 982 CO -0.22 0.06 0.59 -0.09 0.00 0.00 0.00 178.15 178.49 1jnu h ARG 983 N 0.33 1.15 0.36 2.37 2.43 -0.58 -1.99 114.38 118.46 1jnu h ARG 983 Ca 0.44 -0.07 -0.02 0.00 -0.81 0.00 0.00 59.98 59.52 1jnu h ARG 983 Cb 0.74 -0.26 0.00 0.00 -0.42 0.00 0.00 29.97 30.04 1jnu h ARG 983 CO -0.49 0.76 -0.17 -0.44 -1.51 0.00 0.00 179.97 178.12 1jnu h ASP 984 N 1.19 -0.41 -0.67 -3.80 3.45 0.62 -2.03 116.42 114.77 1jnu h ASP 984 Ca 0.33 -0.12 0.14 0.00 0.43 0.00 0.00 57.03 57.82 1jnu h ASP 984 Cb -0.11 0.11 -0.11 0.00 -0.56 0.00 0.00 39.33 38.66 1jnu h ASP 984 CO -0.08 -0.10 0.03 0.00 -1.57 0.00 0.00 179.24 177.52 1jnu h ALA 985 N -0.21 0.71 0.49 3.45 0.00 -0.97 0.34 119.26 123.06 1jnu h ALA 985 Ca -0.05 0.20 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1jnu h ALA 985 Cb 0.51 0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1jnu h ALA 985 CO 0.08 -0.39 -0.24 0.28 0.00 0.00 0.00 179.25 178.99 1jnu h VAL 986 N 0.14 0.52 0.16 0.00 2.07 -1.29 1.01 116.25 118.86 1jnu h VAL 986 Ca 0.36 -0.03 -0.01 0.00 0.82 0.00 0.00 66.70 67.84 1jnu h VAL 986 Cb 0.60 0.54 0.00 0.00 -1.52 0.00 0.00 31.29 30.90 1jnu h VAL 986 CO -0.55 0.01 -0.08 0.11 0.02 0.00 0.00 177.57 177.07 1jnu h LYS 987 N -0.68 -0.21 0.00 1.57 6.56 -0.84 -0.62 116.57 122.35 1jnu h LYS 987 Ca -0.07 0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.54 1jnu h LYS 987 Cb 0.51 0.05 0.00 0.00 -0.57 0.00 0.00 32.23 32.22 1jnu h LYS 987 CO 0.11 -0.12 0.00 -0.85 -2.06 0.00 0.00 179.45 176.53 1jnu n GLU 988 N -5.17 0.07 -3.56 3.15 0.28 0.12 -4.91 120.64 110.62 1jnu n GLU 988 Ca -0.09 0.23 -0.23 0.00 -0.16 0.00 0.00 57.16 56.91 1jnu n GLU 988 Cb 0.12 -1.50 0.05 0.00 1.43 0.00 0.00 31.44 31.54 1jnu n GLU 988 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 1jnu n GLN 989 N -1.43 -2.72 -4.64 3.44 6.02 0.31 -5.01 117.38 113.35 1jnu n GLN 989 Ca 0.04 0.63 -0.29 0.00 -0.01 0.00 0.00 57.00 57.37 1jnu n GLN 989 Cb 0.14 -4.97 -0.08 0.00 1.02 0.00 0.00 30.24 26.36 1jnu n GLN 989 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1jnu s ARG 990 N -5.51 2.06 0.50 -1.09 0.52 0.91 -4.97 118.95 111.37 1jnu s ARG 990 Ca 0.32 -2.28 -0.06 0.00 -0.52 0.00 0.00 55.73 53.19 1jnu s ARG 990 Cb -0.08 -1.14 -0.04 0.00 0.52 0.00 0.00 34.95 34.21 1jnu s ARG 990 CO 0.81 -0.39 0.81 -0.51 0.02 0.00 0.00 175.30 176.05 1jnu s ASP 991 N -3.74 6.26 -0.01 0.23 1.11 -1.26 -4.62 116.67 114.63 1jnu s ASP 991 Ca 0.16 0.99 -0.28 0.00 0.18 0.00 0.00 52.55 53.59 1jnu s ASP 991 Cb 0.03 -2.27 0.10 0.00 1.07 0.00 0.00 42.92 41.84 1jnu s ASP 991 CO 0.09 -0.61 0.86 0.68 1.18 0.00 0.00 175.17 177.36 1jnu s VAL 992 N -2.79 0.00 -0.31 -1.27 -7.23 -1.22 -4.97 120.40 102.61 1jnu s VAL 992 Ca 0.48 0.00 -0.03 0.00 -1.81 0.00 0.00 61.98 60.63 1jnu s VAL 992 Cb -0.10 -1.00 0.11 0.00 0.56 0.00 0.00 36.38 35.95 1jnu s VAL 992 CO 0.46 0.00 0.15 -0.89 -0.31 0.00 0.00 175.10 174.51 1jnu s THR 993 N -2.88 0.12 0.03 5.32 2.01 -1.26 -0.87 115.64 118.11 1jnu s THR 993 Ca 0.03 -1.10 0.05 0.00 0.31 0.00 0.00 61.69 60.98 1jnu s THR 993 Cb -0.01 -1.11 -0.03 0.00 0.01 0.00 0.00 72.50 71.36 1jnu s THR 993 CO -0.07 -0.79 -0.12 -0.69 -0.69 0.00 0.00 174.62 172.25 1jnu s VAL 994 N 1.76 3.23 -0.27 3.82 1.01 -0.13 -4.96 120.40 124.87 1jnu s VAL 994 Ca 0.11 -1.02 -0.13 0.00 0.00 0.00 0.00 61.98 60.94 1jnu s VAL 994 Cb -0.18 -2.40 -0.04 0.00 0.00 0.00 0.00 36.38 33.76 1jnu s VAL 994 CO -0.26 0.34 0.30 -1.58 0.00 0.00 0.00 175.10 173.90 1jnu s GLN 995 N -1.52 4.01 0.07 2.72 0.74 -1.26 -1.15 119.66 123.27 1jnu s GLN 995 Ca 0.17 -0.08 0.04 0.00 0.05 0.00 0.00 55.36 55.53 1jnu s GLN 995 Cb -0.11 -3.64 -0.03 0.00 1.10 0.00 0.00 33.01 30.33 1jnu s GLN 995 CO 0.07 -0.20 -0.11 0.54 -0.55 0.00 0.00 175.29 175.04 1jnu s VAL 996 N 1.84 0.85 -0.12 1.34 0.11 -0.42 -4.97 120.40 119.03 1jnu s VAL 996 Ca 0.12 -1.31 -0.18 0.00 -2.93 0.00 0.00 61.98 57.69 1jnu s VAL 996 Cb -0.16 -0.97 -0.04 0.00 -1.53 0.00 0.00 36.38 33.68 1jnu s VAL 996 CO 0.10 -0.37 0.47 -0.22 -3.33 0.00 0.00 175.10 171.75 1jnu s LEU 997 N -1.86 4.27 0.39 2.54 2.96 -1.26 -0.66 118.68 125.06 1jnu s LEU 997 Ca -0.03 0.80 0.04 0.00 -0.22 0.00 0.00 54.13 54.71 1jnu s LEU 997 Cb -0.08 -2.68 -0.03 0.00 0.50 0.00 0.00 46.19 43.89 1jnu s LEU 997 CO 0.01 -0.00 0.11 0.20 -1.32 0.00 0.00 176.35 175.35 1jnu s ASN 998 N 0.64 2.68 -0.04 3.68 0.02 -0.31 -4.60 114.94 117.02 1jnu s ASN 998 Ca 0.26 -1.62 0.01 0.00 -1.02 0.00 0.00 52.86 50.50 1jnu s ASN 998 Cb -0.15 0.40 0.02 0.00 0.02 0.00 0.00 41.25 41.53 1jnu s ASN 998 CO 0.10 -0.87 -0.06 -0.31 0.02 0.00 0.00 177.10 175.98 1jnu s TYR 999 N -3.24 0.81 1.14 2.20 1.51 -0.21 -0.94 117.35 118.62 1jnu s TYR 999 Ca 0.26 -0.22 -0.16 0.00 -1.01 0.00 0.00 57.07 55.94 1jnu s TYR 999 Cb 0.04 -0.66 0.25 0.00 -0.11 0.00 0.00 41.96 41.48 1jnu s TYR 999 CO 0.14 -0.16 1.08 0.95 -1.11 0.00 0.00 175.55 176.45 1jnu s THR 1000N 0.66 1.78 0.37 -0.71 -4.23 0.07 -4.83 115.64 108.74 1jnu s THR 1000Ca -0.09 0.00 0.06 0.00 -1.18 0.00 0.00 61.69 60.47 1jnu s THR 1000Cb -0.13 -2.42 0.19 0.00 1.34 0.00 0.00 72.50 71.49 1jnu s THR 1000CO 0.01 0.00 1.94 0.50 -0.54 0.00 0.00 174.62 176.52 1jnu h LYS 1001N -2.38 0.49 -0.01 3.99 3.64 -1.51 -2.45 116.57 118.34 1jnu h LYS 1001Ca -0.51 -0.08 -0.06 0.00 -1.27 0.00 0.00 60.65 58.73 1jnu h LYS 1001Cb 1.32 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 33.04 1jnu h LYS 1001CO 0.45 0.47 -0.30 0.78 -2.27 0.00 0.00 179.45 178.59 1jnu h GLY 1002N 0.73 0.01 0.00 5.01 0.00 -1.89 -3.46 103.07 103.47 1jnu h GLY 1002Ca 0.11 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.43 1jnu h GLY 1002CO -0.00 0.01 0.00 0.61 0.00 0.00 0.00 176.54 177.16 1jnu n GLY 1003N -0.67 1.30 3.72 4.60 0.00 -0.92 -5.10 105.19 108.12 1jnu n GLY 1003Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 1jnu n GLY 1003CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1jnu s ARG 1004N 0.00 4.37 0.18 1.61 3.52 -1.26 -4.75 118.95 122.62 1jnu s ARG 1004Ca 0.00 1.96 -0.18 0.00 -0.13 0.00 0.00 55.73 57.38 1jnu s ARG 1004Cb 0.00 -3.28 -0.08 0.00 -1.56 0.00 0.00 34.95 30.04 1jnu s ARG 1004CO 0.00 -0.35 0.64 0.00 -0.81 0.00 0.00 175.30 174.78 1jnu s ALA 1005N 1.00 3.49 0.04 6.12 0.00 -1.26 -0.75 121.76 130.40 1jnu s ALA 1005Ca 0.62 0.04 -0.11 0.00 0.00 0.00 0.00 51.96 52.51 1jnu s ALA 1005Cb -0.34 -2.69 0.01 0.00 0.00 0.00 0.00 23.12 20.10 1jnu s ALA 1005CO 0.30 0.38 0.22 -0.59 0.00 0.00 0.00 175.76 176.08 1jnu s PHE 1006N -1.47 0.01 0.06 0.00 -0.71 -0.11 -4.96 117.98 110.80 1jnu s PHE 1006Ca 0.40 -0.20 -0.24 0.00 -1.04 0.00 0.00 56.93 55.84 1jnu s PHE 1006Cb -0.16 0.00 -0.06 0.00 -1.21 0.00 0.00 43.02 41.59 1jnu s PHE 1006CO 0.20 -0.45 0.73 -1.58 -1.34 0.00 0.00 175.22 172.78 1jnu s TRP 1007N -2.54 3.77 -0.27 3.49 0.52 -1.26 -1.16 118.94 121.48 1jnu s TRP 1007Ca -0.05 1.45 0.03 0.00 0.02 0.00 0.00 56.10 57.54 1jnu s TRP 1007Cb -0.01 -2.75 0.07 0.00 -1.15 0.00 0.00 33.47 29.62 1jnu s TRP 1007CO -0.04 0.35 -0.06 1.21 0.02 0.00 0.00 176.95 178.44 1jnu s ASN 1008N -0.36 4.40 -0.77 2.95 3.84 0.17 -1.94 114.94 123.23 1jnu s ASN 1008Ca 0.36 -1.52 -0.25 0.00 0.21 0.00 0.00 52.86 51.66 1jnu s ASN 1008Cb -0.21 -1.49 0.05 0.00 -0.55 0.00 0.00 41.25 39.06 1jnu s ASN 1008CO 0.22 -0.24 1.20 -0.22 -2.79 0.00 0.00 177.10 175.27 1jnu s LEU 1009N 1.12 3.68 -0.20 3.21 2.96 -0.32 -1.30 118.68 127.84 1jnu s LEU 1009Ca -0.04 -0.85 -0.10 0.00 -0.22 0.00 0.00 54.13 52.93 1jnu s LEU 1009Cb -0.20 -2.51 -0.05 0.00 0.50 0.00 0.00 46.19 43.94 1jnu s LEU 1009CO -0.06 -1.63 0.12 0.12 -1.32 0.00 0.00 176.35 173.58 1jnu s PHE 1010N 4.95 3.39 -0.12 5.38 5.36 -0.30 -2.37 117.98 134.28 1jnu s PHE 1010Ca 0.33 0.30 0.03 0.00 -0.96 0.00 0.00 56.93 56.63 1jnu s PHE 1010Cb -0.09 -2.15 0.01 0.00 -0.34 0.00 0.00 43.02 40.45 1jnu s PHE 1010CO 0.09 0.28 -0.21 -1.58 -1.46 0.00 0.00 175.22 172.33 1jnu s HIS 1011N 0.35 2.50 -0.02 10.12 5.65 -0.77 -0.95 115.29 132.18 1jnu s HIS 1011Ca 0.08 -1.20 -0.00 0.00 0.25 0.00 0.00 55.06 54.18 1jnu s HIS 1011Cb -0.11 -1.71 -0.04 0.00 -1.18 0.00 0.00 32.58 29.54 1jnu s HIS 1011CO -0.02 -0.54 0.05 -1.17 -0.65 0.00 0.00 174.74 172.41 1jnu s LEU 1012N 0.74 3.78 -0.08 8.88 2.96 -0.05 -1.56 118.68 133.36 1jnu s LEU 1012Ca -0.10 0.12 -0.10 0.00 -0.22 0.00 0.00 54.13 53.84 1jnu s LEU 1012Cb -0.16 -2.13 0.02 0.00 0.50 0.00 0.00 46.19 44.42 1jnu s LEU 1012CO 0.00 0.30 0.26 -1.10 -1.32 0.00 0.00 176.35 174.50 1jnu s GLN 1013N -1.53 0.39 -0.21 1.98 -0.21 -0.66 -3.39 119.66 116.03 1jnu s GLN 1013Ca 0.20 0.20 -0.11 0.00 0.02 0.00 0.00 55.36 55.67 1jnu s GLN 1013Cb -0.12 0.18 -0.05 0.00 1.00 0.00 0.00 33.01 34.03 1jnu s GLN 1013CO 0.11 -0.07 0.19 0.08 -2.12 0.00 0.00 175.29 173.48 1jnu s VAL 1014N -0.26 5.35 -1.14 1.09 1.01 -1.26 -0.85 120.40 124.35 1jnu s VAL 1014Ca -0.04 0.29 -0.17 0.00 0.00 0.00 0.00 61.98 62.06 1jnu s VAL 1014Cb -0.03 -3.53 0.13 0.00 0.00 0.00 0.00 36.38 32.95 1jnu s VAL 1014CO 0.01 0.37 1.41 -0.04 0.00 0.00 0.00 175.10 176.86 1jnu s MET 1015N 0.77 3.90 0.00 2.72 -1.94 0.82 -4.74 119.30 120.83 1jnu s MET 1015Ca 0.10 -2.14 0.11 0.00 -1.71 0.00 0.00 55.69 52.05 1jnu s MET 1015Cb -0.13 -5.14 0.63 0.00 2.01 0.00 0.00 34.83 32.21 1jnu s MET 1015CO 0.03 -1.90 1.10 -2.13 -0.01 0.00 0.00 175.02 172.11 1jnu n ARG 1016N 6.65 0.58 -1.02 2.03 0.63 -1.26 -0.59 116.66 123.68 1jnu n ARG 1016Ca 0.35 0.00 -0.29 0.00 -0.92 0.00 0.00 57.85 56.99 1jnu n ARG 1016Cb 0.46 -1.29 -0.10 0.00 0.45 0.00 0.00 32.46 31.98 1jnu n ARG 1016CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 1jnu n ASP 1017N -0.79 0.22 0.00 6.15 2.03 -1.26 -3.69 116.55 119.21 1jnu n ASP 1017Ca 0.08 0.14 0.00 0.00 0.52 0.00 0.00 54.79 55.53 1jnu n ASP 1017Cb 0.04 -0.63 0.00 0.00 -0.72 0.00 0.00 41.12 39.81 1jnu n ASP 1017CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 1jnu n GLU 1018N 5.80 0.00 -2.68 -0.67 4.07 -1.26 -4.18 120.64 121.72 1jnu n GLU 1018Ca 0.45 0.00 -0.04 0.00 -0.06 0.00 0.00 57.16 57.50 1jnu n GLU 1018Cb 0.02 0.00 0.11 0.00 -0.06 0.00 0.00 31.44 31.51 1jnu n GLU 1018CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 1jnu n ASN 1019N 0.00 -1.47 0.00 4.31 3.02 -1.24 -4.92 115.26 114.96 1jnu n ASN 1019Ca 0.00 -2.24 0.00 0.00 -0.03 0.00 0.00 54.58 52.31 1jnu n ASN 1019Cb 0.00 1.30 0.00 0.00 -0.61 0.00 0.00 39.78 40.47 1jnu n ASN 1019CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1jnu n GLY 1020N 0.51 3.28 3.76 7.41 0.00 -1.26 -5.07 105.19 113.82 1jnu n GLY 1020Ca -0.03 -0.94 -0.40 0.00 0.00 0.00 0.00 46.02 44.65 1jnu n GLY 1020CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1jnu s ASP 1021N 0.00 6.99 0.06 1.61 1.01 -1.26 -4.96 116.67 120.12 1jnu s ASP 1021Ca 0.00 2.47 -0.30 0.00 0.71 0.00 0.00 52.55 55.43 1jnu s ASP 1021Cb 0.00 -2.64 -0.05 0.00 1.01 0.00 0.00 42.92 41.25 1jnu s ASP 1021CO 0.00 -0.36 1.01 -0.69 0.21 0.00 0.00 175.17 175.34 1jnu s VAL 1022N -1.17 4.54 -0.13 -1.27 1.01 -1.26 -4.17 120.40 117.94 1jnu s VAL 1022Ca 0.47 1.95 -0.00 0.00 0.00 0.00 0.00 61.98 64.40 1jnu s VAL 1022Cb -0.35 -4.25 -0.08 0.00 0.00 0.00 0.00 36.38 31.70 1jnu s VAL 1022CO 0.46 0.22 -0.12 0.00 0.00 0.00 0.00 175.10 175.66 1jnu n GLN 1023N 3.35 0.32 -3.98 2.72 0.00 0.24 -4.95 117.38 115.08 1jnu n GLN 1023Ca 0.05 0.08 -0.09 0.00 0.00 0.00 0.00 57.00 57.04 1jnu n GLN 1023Cb 0.49 -1.21 -0.08 0.00 0.00 0.00 0.00 30.24 29.44 1jnu n GLN 1023CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.06 177.77 1jnu s TYR 1024N -2.26 0.42 -0.09 2.61 1.51 -1.14 -4.40 117.35 114.01 1jnu s TYR 1024Ca -0.18 -0.83 0.03 0.00 -1.01 0.00 0.00 57.07 55.09 1jnu s TYR 1024Cb 0.05 -0.17 -0.01 0.00 -0.11 0.00 0.00 41.96 41.72 1jnu s TYR 1024CO 0.29 -0.59 -0.21 -0.06 -1.11 0.00 0.00 175.55 173.87 1jnu s PHE 1025N -3.95 2.60 -0.15 2.71 0.08 -0.83 -0.12 117.98 118.32 1jnu s PHE 1025Ca 0.14 -0.78 -0.02 0.00 0.12 0.00 0.00 56.93 56.38 1jnu s PHE 1025Cb 0.05 -1.71 -0.02 0.00 -0.57 0.00 0.00 43.02 40.77 1jnu s PHE 1025CO -0.04 -0.26 -0.07 0.42 -0.10 0.00 0.00 175.22 175.17 1jnu s ILE 1026N 0.12 3.52 -0.11 0.64 1.01 -0.02 -1.21 121.20 125.15 1jnu s ILE 1026Ca -0.10 -0.49 0.03 0.00 0.00 0.00 0.00 60.65 60.09 1jnu s ILE 1026Cb -0.16 -2.53 0.01 0.00 0.01 0.00 0.00 42.46 39.79 1jnu s ILE 1026CO 0.06 0.49 -0.19 -0.83 0.00 0.00 0.00 174.94 174.48 1jnu s GLY 1027N 0.51 1.15 -0.18 6.18 0.00 -0.61 -1.65 107.32 112.71 1jnu s GLY 1027Ca -0.05 -0.83 -0.07 0.00 0.00 0.00 0.00 44.72 43.77 1jnu s GLY 1027CO 0.03 0.01 0.04 0.14 0.00 0.00 0.00 173.10 173.32 1jnu s VAL 1028N 0.73 4.57 -0.05 1.40 1.01 -0.60 -1.37 120.40 126.08 1jnu s VAL 1028Ca -0.11 -0.11 0.04 0.00 0.00 0.00 0.00 61.98 61.80 1jnu s VAL 1028Cb -0.16 -3.05 -0.02 0.00 0.00 0.00 0.00 36.38 33.15 1jnu s VAL 1028CO 0.02 0.46 -0.17 -1.10 0.00 0.00 0.00 175.10 174.31 1jnu s GLN 1029N 0.43 2.52 -0.05 2.72 1.11 -0.52 -1.84 119.66 124.03 1jnu s GLN 1029Ca 0.02 -0.74 -0.02 0.00 0.01 0.00 0.00 55.36 54.62 1jnu s GLN 1029Cb -0.13 -2.33 0.03 0.00 -1.01 0.00 0.00 33.01 29.57 1jnu s GLN 1029CO 0.01 0.56 0.03 -0.65 0.01 0.00 0.00 175.29 175.26 1jnu s GLN 1030N -0.59 0.21 -0.11 2.91 -0.21 -1.00 -4.25 119.66 116.63 1jnu s GLN 1030Ca 0.08 0.26 -0.29 0.00 0.02 0.00 0.00 55.36 55.43 1jnu s GLN 1030Cb -0.11 -0.69 -0.04 0.00 1.00 0.00 0.00 33.01 33.17 1jnu s GLN 1030CO 0.01 -0.31 1.54 -2.00 -2.12 0.00 0.00 175.29 172.40 1jnu s GLU 1031N 2.06 4.14 0.00 2.91 2.12 -1.26 -1.17 118.70 127.49 1jnu s GLU 1031Ca 0.05 1.96 0.00 0.00 0.36 0.00 0.00 54.97 57.33 1jnu s GLU 1031Cb -0.12 -3.93 0.00 0.00 0.26 0.00 0.00 34.13 30.34 1jnu s GLU 1031CO -0.04 -0.87 0.40 0.00 -0.54 0.00 0.00 175.26 174.21