#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 6.83 0.10 3.14 0.15 -1.26 -4.61 113.70 118.05 1jnu s SER 930 Ca 0.00 1.01 -0.25 0.00 0.70 0.00 0.00 55.95 57.41 1jnu s SER 930 Cb 0.00 -2.39 0.08 0.00 -1.71 0.00 0.00 66.02 62.00 1jnu s SER 930 CO 0.00 -0.24 0.69 0.72 1.20 0.00 0.00 173.24 175.61 1jnu s PHE 931 N 1.59 -0.48 0.13 3.44 -0.12 -1.26 -1.51 117.98 119.77 1jnu s PHE 931 Ca 0.33 0.30 0.00 0.00 -0.05 0.00 0.00 56.93 57.52 1jnu s PHE 931 Cb -0.16 0.55 -0.04 0.00 -0.63 0.00 0.00 43.02 42.73 1jnu s PHE 931 CO 0.13 -0.75 0.01 0.14 -0.05 0.00 0.00 175.22 174.69 1jnu s VAL 932 N -3.52 0.41 -0.09 -2.49 -7.23 -0.55 -1.20 120.40 105.73 1jnu s VAL 932 Ca 0.02 -1.92 0.02 0.00 -1.81 0.00 0.00 61.98 58.29 1jnu s VAL 932 Cb -0.01 -1.93 0.01 0.00 0.56 0.00 0.00 36.38 35.01 1jnu s VAL 932 CO -0.11 -0.62 -0.14 -0.63 -0.31 0.00 0.00 175.10 173.29 1jnu s ILE 933 N -3.83 1.34 0.16 -0.62 1.01 0.10 -1.70 121.20 117.66 1jnu s ILE 933 Ca 0.19 -0.56 0.08 0.00 0.00 0.00 0.00 60.65 60.37 1jnu s ILE 933 Cb 0.07 -1.23 -0.04 0.00 0.01 0.00 0.00 42.46 41.27 1jnu s ILE 933 CO -0.00 0.41 -0.09 0.28 0.00 0.00 0.00 174.94 175.53 1jnu s THR 934 N 0.90 3.27 -0.39 2.92 -1.32 -0.34 -0.78 115.64 119.89 1jnu s THR 934 Ca -0.09 -1.55 -0.00 0.00 -1.21 0.00 0.00 61.69 58.84 1jnu s THR 934 Cb -0.15 -2.60 0.11 0.00 -1.51 0.00 0.00 72.50 68.35 1jnu s THR 934 CO 0.00 -0.06 0.15 -0.62 -2.21 0.00 0.00 174.62 171.89 1jnu s ASP 935 N -2.69 5.05 0.00 8.08 -1.08 -0.93 -1.99 116.67 123.10 1jnu s ASP 935 Ca 0.24 -2.13 0.13 0.00 -0.52 0.00 0.00 52.55 50.28 1jnu s ASP 935 Cb -0.09 -1.75 0.69 0.00 -1.46 0.00 0.00 42.92 40.30 1jnu s ASP 935 CO 0.15 -0.47 1.35 -0.81 0.52 0.00 0.00 175.17 175.91 1jnu n PRO 936 N 4.39 0.20 -0.03 4.34 -0.04 -1.26 -2.01 135.00 140.59 1jnu n PRO 936 Ca 0.01 0.15 0.13 0.00 -0.04 0.00 0.00 63.50 63.74 1jnu n PRO 936 Cb 0.41 -1.50 0.51 0.00 -0.04 0.00 0.00 33.50 32.88 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 -1.27 1.58 -4.18 0.54 3.00 -1.26 -4.72 116.66 110.35 1jnu n ARG 937 Ca 0.07 -0.86 -0.22 0.00 -0.01 0.00 0.00 57.85 56.82 1jnu n ARG 937 Cb 0.10 -1.44 -0.05 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 -1.80 3.58 0.02 0.55 1.43 -0.85 -5.06 118.68 116.54 1jnu s LEU 938 Ca 0.36 -0.40 -0.30 0.00 -1.03 0.00 0.00 54.13 52.75 1jnu s LEU 938 Cb 0.19 -2.11 -0.07 0.00 0.03 0.00 0.00 46.19 44.23 1jnu s LEU 938 CO 0.30 -0.03 1.62 -2.16 0.23 0.00 0.00 176.35 176.31 1jnu s PRO 939 N -3.78 4.21 0.00 1.29 0.04 -1.26 -2.37 135.00 133.12 1jnu s PRO 939 Ca 0.33 2.24 0.00 0.00 0.04 0.00 0.00 61.00 63.60 1jnu s PRO 939 Cb -0.07 -3.71 0.00 0.00 0.04 0.00 0.00 34.50 30.76 1jnu s PRO 939 CO 0.23 -0.74 0.00 -3.47 0.04 0.00 0.00 177.00 173.06 1jnu n ASP 940 N 6.02 -2.98 -3.69 6.66 2.03 -1.26 -4.35 116.55 118.97 1jnu n ASP 940 Ca 0.16 0.00 -0.26 0.00 0.52 0.00 0.00 54.79 55.20 1jnu n ASP 940 Cb 0.42 -0.50 0.03 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 0.19 -3.55 -4.75 1.67 4.05 -1.00 -4.58 115.26 107.30 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 -3.66 0.04 0.00 1.23 0.00 0.00 39.78 37.39 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 -5.93 2.97 -0.17 1.20 0.04 -1.26 -4.58 135.00 127.28 1jnu s PRO 942 Ca 0.28 1.91 -0.29 0.00 0.04 0.00 0.00 61.00 62.93 1jnu s PRO 942 Cb -0.09 -1.98 -0.01 0.00 0.04 0.00 0.00 34.50 32.46 1jnu s PRO 942 CO 0.84 -1.23 1.25 0.42 0.04 0.00 0.00 177.00 178.33 1jnu s ILE 943 N -1.52 4.29 -0.51 0.56 1.01 -0.91 -2.20 121.20 121.92 1jnu s ILE 943 Ca 0.77 1.56 0.17 0.00 0.00 0.00 0.00 60.65 63.15 1jnu s ILE 943 Cb -0.33 -4.01 -0.21 0.00 0.01 0.00 0.00 42.46 37.92 1jnu s ILE 943 CO 0.36 -0.14 0.59 2.30 0.00 0.00 0.00 174.94 178.05 1jnu n ILE 944 N 5.36 0.00 -3.72 2.92 -5.35 0.04 -0.77 119.36 117.84 1jnu n ILE 944 Ca 0.14 -0.21 -0.12 0.00 -0.27 0.00 0.00 62.75 62.29 1jnu n ILE 944 Cb 0.45 0.68 -0.10 0.00 -1.74 0.00 0.00 39.64 38.93 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 -2.80 -0.52 -0.04 4.28 5.36 -0.94 -4.97 117.98 118.35 1jnu s PHE 945 Ca 0.02 1.19 -0.02 0.00 -0.96 0.00 0.00 56.93 57.16 1jnu s PHE 945 Cb 0.12 0.20 0.03 0.00 -0.34 0.00 0.00 43.02 43.03 1jnu s PHE 945 CO 0.70 -0.27 0.07 0.00 -1.46 0.00 0.00 175.22 174.26 1jnu s ALA 946 N 0.64 0.11 1.01 11.12 0.00 -1.26 0.00 121.76 133.39 1jnu s ALA 946 Ca -0.03 0.30 -0.12 0.00 0.00 0.00 0.00 51.96 52.11 1jnu s ALA 946 Cb -0.05 -0.57 0.20 0.00 0.00 0.00 0.00 23.12 22.70 1jnu s ALA 946 CO -0.04 -0.41 1.08 -1.54 0.00 0.00 0.00 175.76 174.85 1jnu s SER 947 N 1.92 2.33 0.07 0.00 1.04 -0.34 -4.89 113.70 113.83 1jnu s SER 947 Ca 0.01 1.63 -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 63.60 1jnu s SER 947 CO -0.04 -3.38 1.55 0.44 0.98 0.00 0.00 173.24 172.79 1jnu h ASP 948 N -2.06 0.25 -0.84 7.02 3.32 -1.90 -2.83 116.42 119.38 1jnu h ASP 948 Ca -0.53 -0.25 0.21 0.00 0.02 0.00 0.00 57.03 56.48 1jnu h ASP 948 Cb 1.30 -0.07 -0.05 0.00 0.22 0.00 0.00 39.33 40.73 1jnu h ASP 948 CO 0.50 0.44 0.58 0.03 -1.72 0.00 0.00 179.24 179.07 1jnu h ARG 949 N 0.06 0.23 -0.10 3.56 -0.00 -1.93 -0.96 114.38 115.25 1jnu h ARG 949 Ca 0.05 -0.01 -0.01 0.00 -0.50 0.00 0.00 59.98 59.51 1jnu h ARG 949 Cb 0.29 -0.05 -0.00 0.00 0.00 0.00 0.00 29.97 30.20 1jnu h ARG 949 CO 0.00 0.15 0.04 0.35 0.00 0.00 0.00 179.97 180.51 1jnu h PHE 950 N 0.24 0.15 -0.33 3.04 3.57 -1.78 0.54 116.94 122.36 1jnu h PHE 950 Ca 0.42 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.86 1jnu h PHE 950 Cb 1.28 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.96 1jnu h PHE 950 CO -0.00 0.26 0.00 -0.07 -2.23 0.00 0.00 178.31 176.27 1jnu h LEU 951 N -0.01 0.48 0.58 0.59 3.38 -1.22 -0.64 115.31 118.48 1jnu h LEU 951 Ca 0.03 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 1jnu h LEU 951 Cb 0.18 -0.13 0.01 0.00 0.09 0.00 0.00 40.66 40.81 1jnu h LEU 951 CO -0.00 0.55 -0.28 -0.08 0.09 0.00 0.00 178.44 178.72 1jnu h GLU 952 N 0.49 -0.75 -0.88 1.13 4.81 -0.96 0.83 114.58 119.24 1jnu h GLU 952 Ca 0.11 0.05 0.13 0.00 -0.13 0.00 0.00 59.36 59.52 1jnu h GLU 952 Cb 0.32 0.17 -0.09 0.00 0.63 0.00 0.00 28.75 29.78 1jnu h GLU 952 CO 0.01 -0.44 0.50 1.25 -0.73 0.00 0.00 179.01 179.60 1jnu h LEU 953 N -0.99 0.66 -0.83 1.64 5.85 -0.58 -2.36 115.31 118.70 1jnu h LEU 953 Ca -0.08 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.71 1jnu h LEU 953 Cb 0.66 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.64 1jnu h LEU 953 CO 0.13 0.31 -0.30 0.35 -0.34 0.00 0.00 178.44 178.59 1jnu n THR 954 N -4.79 0.00 -1.29 1.05 -2.24 -0.27 -4.87 114.28 101.88 1jnu n THR 954 Ca 0.17 -0.22 -0.10 0.00 -2.27 0.00 0.00 64.05 61.64 1jnu n THR 954 Cb 0.40 0.82 -0.04 0.00 -2.10 0.00 0.00 70.33 69.40 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 -0.19 -1.34 -2.81 -0.78 1.02 0.27 -1.43 120.64 115.38 1jnu n GLU 955 Ca 0.12 0.81 -0.20 0.00 -0.02 0.00 0.00 57.16 57.87 1jnu n GLU 955 Cb 0.41 -5.01 0.04 0.00 -0.02 0.00 0.00 31.44 26.87 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 -2.04 2.39 -0.05 -0.32 1.51 -1.15 -4.69 117.35 113.00 1jnu s TYR 956 Ca 0.00 -0.30 0.02 0.00 -1.01 0.00 0.00 57.07 55.78 1jnu s TYR 956 Cb 0.00 -2.58 -0.03 0.00 -0.11 0.00 0.00 41.96 39.24 1jnu s TYR 956 CO 0.00 -0.91 -0.08 -0.08 -1.11 0.00 0.00 175.55 173.36 1jnu s THR 957 N -2.68 3.57 0.40 -0.71 -1.32 -1.26 -4.73 115.64 108.91 1jnu s THR 957 Ca 0.59 -0.57 0.23 0.00 -1.21 0.00 0.00 61.69 60.73 1jnu s THR 957 Cb -0.09 -2.46 0.42 0.00 -1.51 0.00 0.00 72.50 68.86 1jnu s THR 957 CO 0.38 0.56 1.65 -0.09 -2.21 0.00 0.00 174.62 174.91 1jnu h ARG 958 N 5.15 0.18 0.00 7.08 2.43 -1.98 0.62 114.38 127.86 1jnu h ARG 958 Ca -0.48 -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 -0.25 0.93 -1.51 0.00 0.00 179.97 179.78 1jnu h GLU 959 N 0.19 0.00 -0.00 0.20 3.07 -1.95 -2.63 114.58 113.46 1jnu h GLU 959 Ca 0.77 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 59.59 1jnu h GLU 959 Cb 2.14 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 30.05 1jnu h GLU 959 CO -0.49 0.25 -0.14 0.93 -1.40 0.00 0.00 179.01 178.16 1jnu h GLU 960 N 0.00 0.10 0.44 2.33 5.08 -0.15 -3.39 114.58 118.99 1jnu h GLU 960 Ca -0.00 -0.10 -0.02 0.00 -1.00 0.00 0.00 59.36 58.23 1jnu h GLU 960 Cb 0.45 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.73 1jnu h GLU 960 CO 0.03 0.85 -0.21 -0.39 -1.00 0.00 0.00 179.01 178.29 1jnu h VAL 961 N -0.60 0.36 -1.22 3.13 -1.51 -1.45 -3.43 116.25 111.53 1jnu h VAL 961 Ca -0.02 -0.56 -0.78 0.00 -1.23 0.00 0.00 66.70 64.12 1jnu h VAL 961 Cb 0.89 0.54 0.04 0.00 -2.13 0.00 0.00 31.29 30.63 1jnu h VAL 961 CO 0.03 0.07 0.39 0.18 -1.23 0.00 0.00 177.57 177.00 1jnu n LEU 962 N -5.20 0.92 0.00 4.19 4.77 -1.00 -0.47 117.00 120.22 1jnu n LEU 962 Ca -0.10 1.15 0.00 0.00 -0.03 0.00 0.00 56.01 57.03 1jnu n LEU 962 Cb 0.29 -1.00 0.00 0.00 -2.33 0.00 0.00 43.42 40.38 1jnu n LEU 962 CO 0.27 -1.30 0.00 0.61 -1.33 0.00 0.00 177.39 175.63 1jnu n GLY 963 N 2.59 1.06 3.69 -0.72 0.00 0.05 -4.97 105.19 106.90 1jnu n GLY 963 Ca 0.23 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.38 5.19 0.42 1.61 0.01 0.39 -4.68 114.94 115.50 1jnu s ASN 964 Ca 0.00 0.02 -0.25 0.00 -0.71 0.00 0.00 52.86 51.93 1jnu s ASN 964 Cb 0.00 -1.38 -0.08 0.00 0.41 0.00 0.00 41.25 40.20 1jnu s ASN 964 CO 0.00 0.29 1.22 0.21 -1.51 0.00 0.00 177.10 177.31 1jnu s ASN 965 N -1.51 6.30 0.57 -1.22 3.84 -1.26 -2.14 114.94 119.52 1jnu s ASN 965 Ca 0.19 2.47 0.26 0.00 0.21 0.00 0.00 52.86 55.98 1jnu s ASN 965 Cb -0.12 -2.62 1.64 0.00 -0.55 0.00 0.00 41.25 39.60 1jnu s ASN 965 CO 0.10 -0.84 2.20 0.00 -2.79 0.00 0.00 177.10 175.77 1jnu n ARG 967 N -4.06 0.04 0.00 0.00 1.85 -1.26 -1.87 116.66 111.36 1jnu n ARG 967 Ca -0.02 0.40 0.04 0.00 -1.00 0.00 0.00 57.85 57.27 1jnu n ARG 967 Cb 0.12 -1.99 0.23 0.00 -1.05 0.00 0.00 32.46 29.78 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 -1.65 0.00 0.91 2.89 -1.74 -1.23 -1.86 117.46 114.79 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 0.37 0.00 -0.07 0.00 1.52 0.00 0.00 39.48 41.30 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 -0.74 0.85 -4.87 5.98 4.77 -0.78 -4.97 117.00 117.24 1jnu n LEU 969 Ca 0.06 -0.38 -0.30 0.00 -0.03 0.00 0.00 56.01 55.36 1jnu n LEU 969 Cb 0.03 -0.04 0.06 0.00 -2.33 0.00 0.00 43.42 41.13 1jnu n LEU 969 CO 0.04 0.21 0.74 -1.10 -1.33 0.00 0.00 177.39 175.95 1jnu s GLN 970 N -3.04 2.69 0.00 3.23 -0.21 -0.77 -1.15 119.66 120.40 1jnu s GLN 970 Ca 0.07 0.50 0.00 0.00 0.02 0.00 0.00 55.36 55.95 1jnu s GLN 970 Cb 0.16 -2.00 0.00 0.00 1.00 0.00 0.00 33.01 32.17 1jnu s GLN 970 CO 0.85 -1.16 0.00 0.41 -2.12 0.00 0.00 175.29 173.26 1jnu n GLY 971 N -2.81 2.66 0.36 3.09 0.00 -1.26 -4.81 105.19 102.42 1jnu n GLY 971 Ca 0.07 -1.22 0.04 0.00 0.00 0.00 0.00 46.02 44.91 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 0.96 -0.00 1.61 2.47 -1.98 -2.32 114.38 115.12 1jnu h ARG 972 Ca 0.00 -0.06 0.00 0.00 -1.26 0.00 0.00 59.98 58.66 1jnu h ARG 972 Cb 0.00 -0.22 0.00 0.00 -1.65 0.00 0.00 29.97 28.10 1jnu h ARG 972 CO 0.00 0.64 -0.01 0.41 0.56 0.00 0.00 179.97 181.56 1jnu n GLY 973 N -1.41 -0.72 3.68 0.04 0.00 -1.26 -4.88 105.19 100.64 1jnu n GLY 973 Ca 0.13 -0.27 -0.42 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.07 4.10 0.11 2.61 2.01 -0.88 -4.92 115.64 116.60 1jnu s THR 974 Ca 0.43 1.41 -0.31 0.00 0.31 0.00 0.00 61.69 63.53 1jnu s THR 974 Cb 0.21 -3.91 -0.09 0.00 0.01 0.00 0.00 72.50 68.73 1jnu s THR 974 CO 0.37 -0.04 1.54 -0.62 -0.69 0.00 0.00 174.62 175.19 1jnu s ASP 975 N 1.78 6.66 0.44 3.53 -1.08 -1.26 -4.91 116.67 121.83 1jnu s ASP 975 Ca 0.58 2.47 0.24 0.00 -0.52 0.00 0.00 52.55 55.33 1jnu s ASP 975 Cb -0.26 -2.58 0.48 0.00 -1.46 0.00 0.00 42.92 39.11 1jnu s ASP 975 CO 0.22 -0.80 1.66 0.03 0.52 0.00 0.00 175.17 176.80 1jnu h ARG 976 N 7.37 0.00 -0.20 4.34 3.08 -1.98 -2.96 114.38 124.03 1jnu h ARG 976 Ca -0.42 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.55 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 0.91 0.00 -0.22 0.87 -1.07 0.00 0.00 179.97 180.46 1jnu h LYS 977 N 0.00 0.36 -0.01 0.04 1.79 -1.99 0.06 116.57 116.82 1jnu h LYS 977 Ca 0.00 -0.12 -0.01 0.00 -2.18 0.00 0.00 60.65 58.34 1jnu h LYS 977 Cb 0.93 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.55 1jnu h LYS 977 CO 0.00 0.57 -0.02 0.00 -1.08 0.00 0.00 179.45 178.92 1jnu h ALA 978 N 1.44 0.02 -0.07 3.86 0.00 -1.91 -2.78 119.26 119.82 1jnu h ALA 978 Ca 0.05 -0.30 0.02 0.00 0.00 0.00 0.00 54.91 54.69 1jnu h ALA 978 Cb 0.58 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 1jnu h ALA 978 CO 0.04 -0.17 0.06 0.28 0.00 0.00 0.00 179.25 179.46 1jnu h VAL 979 N -0.52 0.75 -0.08 0.00 2.07 -1.35 -1.71 116.25 115.40 1jnu h VAL 979 Ca 0.00 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 1jnu h VAL 979 Cb 0.60 0.96 -0.00 0.00 -1.52 0.00 0.00 31.29 31.33 1jnu h VAL 979 CO 0.01 0.00 -0.01 1.56 0.02 0.00 0.00 177.57 179.14 1jnu h GLN 980 N 0.00 0.14 0.01 1.57 4.20 -0.85 -2.01 115.11 118.18 1jnu h GLN 980 Ca 0.03 -0.05 0.03 0.00 0.06 0.00 0.00 58.65 58.72 1jnu h GLN 980 Cb 0.15 -0.01 -0.05 0.00 0.30 0.00 0.00 27.48 27.87 1jnu h GLN 980 CO -0.00 0.45 -0.35 -0.07 -0.67 0.00 0.00 178.83 178.20 1jnu h LEU 981 N -0.18 -1.03 -0.79 1.46 3.38 -1.05 -0.59 115.31 116.51 1jnu h LEU 981 Ca 0.02 0.13 0.15 0.00 0.09 0.00 0.00 57.88 58.27 1jnu h LEU 981 Cb 0.40 0.41 -0.10 0.00 0.09 0.00 0.00 40.66 41.46 1jnu h LEU 981 CO 0.01 -0.41 0.34 0.40 0.09 0.00 0.00 178.44 178.87 1jnu h ILE 982 N -0.51 0.64 -0.87 1.22 2.04 -1.44 0.16 117.51 118.74 1jnu h ILE 982 Ca 0.05 -0.16 -0.01 0.00 1.00 0.00 0.00 64.86 65.74 1jnu h ILE 982 Cb 0.59 0.13 -0.04 0.00 -0.74 0.00 0.00 36.82 36.76 1jnu h ILE 982 CO -0.27 0.09 0.50 -0.09 0.00 0.00 0.00 178.15 178.37 1jnu h ARG 983 N 0.47 1.20 0.39 2.37 2.43 -0.52 -2.02 114.38 118.71 1jnu h ARG 983 Ca 0.44 -0.13 -0.02 0.00 -0.81 0.00 0.00 59.98 59.47 1jnu h ARG 983 Cb 0.69 -0.24 0.00 0.00 -0.42 0.00 0.00 29.97 30.00 1jnu h ARG 983 CO -0.41 0.86 -0.19 -0.44 -1.51 0.00 0.00 179.97 178.28 1jnu h ASP 984 N 1.21 -0.44 -0.73 -3.80 3.45 0.73 -1.99 116.42 114.85 1jnu h ASP 984 Ca 0.31 -0.12 0.16 0.00 0.43 0.00 0.00 57.03 57.81 1jnu h ASP 984 Cb -0.01 0.11 -0.11 0.00 -0.56 0.00 0.00 39.33 38.77 1jnu h ASP 984 CO -0.05 -0.10 0.15 0.00 -1.57 0.00 0.00 179.24 177.67 1jnu h ALA 985 N -0.37 0.92 0.49 3.45 0.00 -0.95 0.32 119.26 123.12 1jnu h ALA 985 Ca -0.05 0.18 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1jnu h ALA 985 Cb 0.54 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1jnu h ALA 985 CO 0.09 -0.36 -0.23 0.28 0.00 0.00 0.00 179.25 179.03 1jnu h VAL 986 N 0.24 0.51 0.10 0.00 2.07 -1.31 0.99 116.25 118.85 1jnu h VAL 986 Ca 0.41 -0.11 -0.00 0.00 0.82 0.00 0.00 66.70 67.82 1jnu h VAL 986 Cb 0.71 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 31.05 1jnu h VAL 986 CO -0.53 0.02 -0.05 0.11 0.02 0.00 0.00 177.57 177.14 1jnu h LYS 987 N -0.72 -0.13 0.00 1.57 6.56 -0.73 -0.73 116.57 122.39 1jnu h LYS 987 Ca -0.07 0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.53 1jnu h LYS 987 Cb 0.53 0.03 0.00 0.00 -0.57 0.00 0.00 32.23 32.22 1jnu h LYS 987 CO 0.11 -0.04 0.00 -0.85 -2.06 0.00 0.00 179.45 176.61 1jnu n GLU 988 N -5.13 0.05 -3.53 3.15 0.28 0.11 -4.91 120.64 110.67 1jnu n GLU 988 Ca -0.08 0.24 -0.22 0.00 -0.16 0.00 0.00 57.16 56.93 1jnu n GLU 988 Cb 0.10 -1.50 0.05 0.00 1.43 0.00 0.00 31.44 31.52 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 -1.44 -2.90 -4.63 3.44 6.02 0.30 -5.01 117.38 113.16 1jnu n GLN 989 Ca 0.04 0.66 -0.29 0.00 -0.01 0.00 0.00 57.00 57.40 1jnu n GLN 989 Cb 0.15 -5.08 -0.08 0.00 1.02 0.00 0.00 30.24 26.25 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 -5.42 2.03 0.53 -1.09 0.52 0.11 -4.97 118.95 110.66 1jnu s ARG 990 Ca 0.31 -2.25 -0.07 0.00 -0.52 0.00 0.00 55.73 53.20 1jnu s ARG 990 Cb -0.08 -1.14 -0.04 0.00 0.52 0.00 0.00 34.95 34.22 1jnu s ARG 990 CO 0.80 -0.36 0.88 -0.51 0.02 0.00 0.00 175.30 176.13 1jnu s ASP 991 N -3.73 6.22 -0.00 0.23 1.11 -1.26 -4.62 116.67 114.61 1jnu s ASP 991 Ca 0.18 1.09 -0.28 0.00 0.18 0.00 0.00 52.55 53.71 1jnu s ASP 991 Cb 0.03 -2.30 0.10 0.00 1.07 0.00 0.00 42.92 41.83 1jnu s ASP 991 CO 0.10 -0.70 0.87 0.68 1.18 0.00 0.00 175.17 177.29 1jnu s VAL 992 N -2.91 0.00 -0.31 -1.27 -7.23 -1.22 -4.96 120.40 102.51 1jnu s VAL 992 Ca 0.50 0.00 -0.03 0.00 -1.81 0.00 0.00 61.98 60.65 1jnu s VAL 992 Cb -0.11 -1.00 0.11 0.00 0.56 0.00 0.00 36.38 35.95 1jnu s VAL 992 CO 0.48 0.00 0.16 -0.89 -0.31 0.00 0.00 175.10 174.54 1jnu s THR 993 N -3.00 -0.05 0.04 5.32 2.01 -1.26 -0.97 115.64 117.73 1jnu s THR 993 Ca 0.04 -0.97 0.05 0.00 0.31 0.00 0.00 61.69 61.13 1jnu s THR 993 Cb -0.01 -1.00 -0.03 0.00 0.01 0.00 0.00 72.50 71.46 1jnu s THR 993 CO -0.08 -0.77 -0.12 -0.69 -0.69 0.00 0.00 174.62 172.27 1jnu s VAL 994 N 1.86 3.26 -0.26 3.82 1.01 -0.11 -4.96 120.40 125.04 1jnu s VAL 994 Ca 0.11 -1.03 -0.13 0.00 0.00 0.00 0.00 61.98 60.94 1jnu s VAL 994 Cb -0.17 -2.42 -0.04 0.00 0.00 0.00 0.00 36.38 33.74 1jnu s VAL 994 CO -0.27 0.32 0.27 -1.58 0.00 0.00 0.00 175.10 173.84 1jnu s GLN 995 N -1.58 4.03 0.05 2.72 0.74 -1.26 -1.08 119.66 123.28 1jnu s GLN 995 Ca 0.17 -0.11 0.03 0.00 0.05 0.00 0.00 55.36 55.50 1jnu s GLN 995 Cb -0.11 -3.61 -0.03 0.00 1.10 0.00 0.00 33.01 30.36 1jnu s GLN 995 CO 0.08 -0.13 -0.09 0.54 -0.55 0.00 0.00 175.29 175.13 1jnu s VAL 996 N 1.63 0.68 -0.12 1.34 0.11 -0.50 -4.97 120.40 118.57 1jnu s VAL 996 Ca 0.12 -1.14 -0.19 0.00 -2.93 0.00 0.00 61.98 57.83 1jnu s VAL 996 Cb -0.15 -0.73 -0.04 0.00 -1.53 0.00 0.00 36.38 33.93 1jnu s VAL 996 CO 0.09 -0.35 0.50 -0.22 -3.33 0.00 0.00 175.10 171.78 1jnu s LEU 997 N -1.64 4.27 0.38 2.54 2.96 -1.26 -0.82 118.68 125.11 1jnu s LEU 997 Ca -0.08 0.83 0.04 0.00 -0.22 0.00 0.00 54.13 54.70 1jnu s LEU 997 Cb -0.10 -2.72 -0.04 0.00 0.50 0.00 0.00 46.19 43.83 1jnu s LEU 997 CO 0.01 -0.02 0.10 0.20 -1.32 0.00 0.00 176.35 175.32 1jnu s ASN 998 N 0.67 2.63 -0.04 3.68 0.02 -0.39 -4.59 114.94 116.93 1jnu s ASN 998 Ca 0.27 -1.57 0.02 0.00 -1.02 0.00 0.00 52.86 50.55 1jnu s ASN 998 Cb -0.15 0.31 0.01 0.00 0.02 0.00 0.00 41.25 41.44 1jnu s ASN 998 CO 0.11 -0.82 -0.07 -0.31 0.02 0.00 0.00 177.10 176.02 1jnu s TYR 999 N -3.25 0.90 1.13 2.20 1.51 -0.30 -0.87 117.35 118.67 1jnu s TYR 999 Ca 0.28 -0.26 -0.16 0.00 -1.01 0.00 0.00 57.07 55.92 1jnu s TYR 999 Cb 0.05 -0.71 0.25 0.00 -0.11 0.00 0.00 41.96 41.44 1jnu s TYR 999 CO 0.14 -0.16 1.09 0.95 -1.11 0.00 0.00 175.55 176.46 1jnu s THR 1000N 0.59 1.77 0.36 -0.71 -4.23 0.04 -4.83 115.64 108.63 1jnu s THR 1000Ca -0.09 0.00 0.06 0.00 -1.18 0.00 0.00 61.69 60.48 1jnu s THR 1000Cb -0.12 -2.46 0.19 0.00 1.34 0.00 0.00 72.50 71.45 1jnu s THR 1000CO 0.01 0.00 1.93 0.50 -0.54 0.00 0.00 174.62 176.52 1jnu h LYS 1001N -2.36 0.51 0.00 3.99 3.64 -1.52 -2.52 116.57 118.31 1jnu h LYS 1001Ca -0.50 -0.08 -0.06 0.00 -1.27 0.00 0.00 60.65 58.74 1jnu h LYS 1001Cb 1.31 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 33.04 1jnu h LYS 1001CO 0.44 0.48 -0.29 0.78 -2.27 0.00 0.00 179.45 178.59 1jnu h GLY 1002N 0.74 0.00 0.00 5.01 0.00 -1.89 -3.46 103.07 103.47 1jnu h GLY 1002Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.45 1jnu h GLY 1002CO -0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 1jnu n GLY 1003N -0.70 1.29 3.72 4.60 0.00 -0.95 -5.10 105.19 108.04 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 0.19 1.61 3.52 -1.26 -4.75 118.95 122.63 1jnu s ARG 1004Ca 0.00 1.95 -0.16 0.00 -0.13 0.00 0.00 55.73 57.39 1jnu s ARG 1004Cb 0.00 -3.28 -0.08 0.00 -1.56 0.00 0.00 34.95 30.03 1jnu s ARG 1004CO 0.00 -0.34 0.62 0.00 -0.81 0.00 0.00 175.30 174.77 1jnu s ALA 1005N 0.99 3.50 0.05 6.12 0.00 -1.26 -0.78 121.76 130.37 1jnu s ALA 1005Ca 0.61 -0.02 -0.10 0.00 0.00 0.00 0.00 51.96 52.45 1jnu s ALA 1005Cb -0.34 -2.64 0.01 0.00 0.00 0.00 0.00 23.12 20.15 1jnu s ALA 1005CO 0.30 0.40 0.22 -0.59 0.00 0.00 0.00 175.76 176.10 1jnu s PHE 1006N -1.54 0.03 0.04 0.00 -0.71 -0.04 -4.96 117.98 110.79 1jnu s PHE 1006Ca 0.41 -0.25 -0.23 0.00 -1.04 0.00 0.00 56.93 55.83 1jnu s PHE 1006Cb -0.15 -0.00 -0.06 0.00 -1.21 0.00 0.00 43.02 41.60 1jnu s PHE 1006CO 0.20 -0.46 0.68 -1.58 -1.34 0.00 0.00 175.22 172.72 1jnu s TRP 1007N -2.70 3.74 -0.29 3.49 0.52 -1.26 -1.26 118.94 121.18 1jnu s TRP 1007Ca -0.04 1.36 0.03 0.00 0.02 0.00 0.00 56.10 57.47 1jnu s TRP 1007Cb -0.00 -2.71 0.08 0.00 -1.15 0.00 0.00 33.47 29.68 1jnu s TRP 1007CO -0.05 0.35 -0.04 1.21 0.02 0.00 0.00 176.95 178.44 1jnu s ASN 1008N -0.29 4.49 -0.75 2.95 3.84 -0.00 -1.77 114.94 123.41 1jnu s ASN 1008Ca 0.35 -1.65 -0.26 0.00 0.21 0.00 0.00 52.86 51.51 1jnu s ASN 1008Cb -0.20 -1.52 0.04 0.00 -0.55 0.00 0.00 41.25 39.02 1jnu s ASN 1008CO 0.21 -0.27 1.22 -0.22 -2.79 0.00 0.00 177.10 175.25 1jnu s LEU 1009N 1.07 3.49 -0.19 3.21 2.96 -0.37 -1.41 118.68 127.45 1jnu s LEU 1009Ca -0.01 -0.67 -0.09 0.00 -0.22 0.00 0.00 54.13 53.14 1jnu s LEU 1009Cb -0.19 -2.53 -0.05 0.00 0.50 0.00 0.00 46.19 43.92 1jnu s LEU 1009CO -0.07 -1.71 0.10 0.12 -1.32 0.00 0.00 176.35 173.47 1jnu s PHE 1010N 5.26 3.35 -0.11 5.38 5.36 -0.24 -2.35 117.98 134.63 1jnu s PHE 1010Ca 0.33 0.24 0.03 0.00 -0.96 0.00 0.00 56.93 56.56 1jnu s PHE 1010Cb -0.09 -2.11 0.01 0.00 -0.34 0.00 0.00 43.02 40.49 1jnu s PHE 1010CO 0.12 0.27 -0.19 -1.58 -1.46 0.00 0.00 175.22 172.37 1jnu s HIS 1011N 0.25 2.30 -0.01 10.12 5.65 -0.78 -0.93 115.29 131.89 1jnu s HIS 1011Ca 0.07 -1.07 0.00 0.00 0.25 0.00 0.00 55.06 54.30 1jnu s HIS 1011Cb -0.12 -1.59 -0.04 0.00 -1.18 0.00 0.00 32.58 29.65 1jnu s HIS 1011CO -0.01 -0.50 0.05 -1.17 -0.65 0.00 0.00 174.74 172.46 1jnu s LEU 1012N 0.77 3.75 -0.09 8.88 2.96 -0.14 -1.60 118.68 133.21 1jnu s LEU 1012Ca -0.10 0.10 -0.11 0.00 -0.22 0.00 0.00 54.13 53.80 1jnu s LEU 1012Cb -0.16 -2.15 0.03 0.00 0.50 0.00 0.00 46.19 44.41 1jnu s LEU 1012CO 0.01 0.28 0.29 -1.10 -1.32 0.00 0.00 176.35 174.51 1jnu s GLN 1013N -1.62 0.42 -0.22 1.98 -0.21 -0.77 -3.43 119.66 115.81 1jnu s GLN 1013Ca 0.21 0.25 -0.11 0.00 0.02 0.00 0.00 55.36 55.74 1jnu s GLN 1013Cb -0.12 0.20 -0.05 0.00 1.00 0.00 0.00 33.01 34.04 1jnu s GLN 1013CO 0.12 -0.07 0.16 0.08 -2.12 0.00 0.00 175.29 173.46 1jnu s VAL 1014N -0.22 5.37 -1.13 1.09 1.01 -1.26 -0.92 120.40 124.34 1jnu s VAL 1014Ca -0.03 0.22 -0.17 0.00 0.00 0.00 0.00 61.98 62.00 1jnu s VAL 1014Cb -0.03 -3.50 0.13 0.00 0.00 0.00 0.00 36.38 32.98 1jnu s VAL 1014CO 0.01 0.38 1.40 -0.04 0.00 0.00 0.00 175.10 176.85 1jnu s MET 1015N 0.77 3.90 0.00 2.72 -1.94 0.12 -4.74 119.30 120.13 1jnu s MET 1015Ca 0.09 -2.15 0.11 0.00 -1.71 0.00 0.00 55.69 52.02 1jnu s MET 1015Cb -0.13 -5.12 0.64 0.00 2.01 0.00 0.00 34.83 32.23 1jnu s MET 1015CO 0.02 -1.88 1.11 -2.13 -0.01 0.00 0.00 175.02 172.13 1jnu n ARG 1016N 6.59 0.57 -1.00 2.03 0.63 -1.26 -0.62 116.66 123.58 1jnu n ARG 1016Ca 0.35 0.00 -0.28 0.00 -0.92 0.00 0.00 57.85 57.00 1jnu n ARG 1016Cb 0.46 -1.30 -0.10 0.00 0.45 0.00 0.00 32.46 31.97 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 -0.80 0.20 0.00 6.15 2.03 -1.26 -3.66 116.55 119.21 1jnu n ASP 1017Ca 0.08 0.13 0.00 0.00 0.52 0.00 0.00 54.79 55.52 1jnu n ASP 1017Cb 0.04 -0.62 0.00 0.00 -0.72 0.00 0.00 41.12 39.82 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 5.69 0.00 -2.68 -0.67 4.07 -1.26 -4.17 120.64 121.62 1jnu n GLU 1018Ca 0.44 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 -4.92 115.26 114.95 1jnu n ASN 1019Ca 0.00 -2.27 0.00 0.00 -0.03 0.00 0.00 54.58 52.28 1jnu n ASN 1019Cb 0.00 1.33 0.00 0.00 -0.61 0.00 0.00 39.78 40.50 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 0.46 3.29 3.77 7.41 0.00 -1.26 -5.07 105.19 113.78 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 6.85 0.05 1.61 1.01 -1.26 -4.96 116.67 119.96 1jnu s ASP 1021Ca 0.00 2.45 -0.30 0.00 0.71 0.00 0.00 52.55 55.41 1jnu s ASP 1021Cb 0.00 -2.63 -0.04 0.00 1.01 0.00 0.00 42.92 41.26 1jnu s ASP 1021CO 0.00 -0.46 0.96 -0.69 0.21 0.00 0.00 175.17 175.20 1jnu s VAL 1022N -1.23 4.72 -0.14 -1.27 1.01 -1.26 -4.17 120.40 118.05 1jnu s VAL 1022Ca 0.50 2.05 -0.01 0.00 0.00 0.00 0.00 61.98 64.51 1jnu s VAL 1022Cb -0.34 -4.31 -0.08 0.00 0.00 0.00 0.00 36.38 31.64 1jnu s VAL 1022CO 0.45 0.23 -0.14 0.00 0.00 0.00 0.00 175.10 175.64 1jnu n GLN 1023N 3.41 0.34 -3.98 2.72 0.00 0.21 -4.95 117.38 115.12 1jnu n GLN 1023Ca 0.04 0.10 -0.09 0.00 0.00 0.00 0.00 57.00 57.05 1jnu n GLN 1023Cb 0.50 -1.20 -0.08 0.00 0.00 0.00 0.00 30.24 29.46 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 -2.27 0.40 -0.09 2.61 1.51 -1.14 -4.38 117.35 113.98 1jnu s TYR 1024Ca -0.19 -0.84 0.03 0.00 -1.01 0.00 0.00 57.07 55.06 1jnu s TYR 1024Cb 0.06 -0.21 -0.02 0.00 -0.11 0.00 0.00 41.96 41.68 1jnu s TYR 1024CO 0.30 -0.53 -0.18 -0.06 -1.11 0.00 0.00 175.55 173.98 1jnu s PHE 1025N -3.92 2.66 -0.15 2.71 0.08 -0.84 0.12 117.98 118.63 1jnu s PHE 1025Ca 0.10 -0.57 -0.01 0.00 0.12 0.00 0.00 56.93 56.57 1jnu s PHE 1025Cb 0.06 -1.71 -0.01 0.00 -0.57 0.00 0.00 43.02 40.79 1jnu s PHE 1025CO -0.07 -0.13 -0.10 0.42 -0.10 0.00 0.00 175.22 175.24 1jnu s ILE 1026N -0.08 3.18 -0.11 0.64 1.01 -0.10 -1.20 121.20 124.54 1jnu s ILE 1026Ca -0.04 -0.60 0.02 0.00 0.00 0.00 0.00 60.65 60.03 1jnu s ILE 1026Cb -0.14 -2.36 0.01 0.00 0.01 0.00 0.00 42.46 39.98 1jnu s ILE 1026CO 0.04 0.50 -0.18 -0.83 0.00 0.00 0.00 174.94 174.47 1jnu s GLY 1027N 0.60 1.15 -0.19 6.18 0.00 -0.69 -1.85 107.32 112.52 1jnu s GLY 1027Ca -0.06 -0.83 -0.08 0.00 0.00 0.00 0.00 44.72 43.74 1jnu s GLY 1027CO 0.03 0.05 0.08 0.14 0.00 0.00 0.00 173.10 173.41 1jnu s VAL 1028N 0.79 4.95 -0.06 1.40 1.01 -0.62 -1.48 120.40 126.38 1jnu s VAL 1028Ca -0.10 0.02 0.04 0.00 0.00 0.00 0.00 61.98 61.94 1jnu s VAL 1028Cb -0.16 -3.25 -0.02 0.00 0.00 0.00 0.00 36.38 32.95 1jnu s VAL 1028CO 0.01 0.44 -0.16 -1.10 0.00 0.00 0.00 175.10 174.29 1jnu s GLN 1029N 0.48 2.59 -0.05 2.72 1.11 -0.57 -1.86 119.66 124.08 1jnu s GLN 1029Ca 0.05 -0.73 -0.01 0.00 0.01 0.00 0.00 55.36 54.67 1jnu s GLN 1029Cb -0.12 -2.37 0.03 0.00 -1.01 0.00 0.00 33.01 29.53 1jnu s GLN 1029CO 0.00 0.55 0.03 -0.65 0.01 0.00 0.00 175.29 175.23 1jnu s GLN 1030N -0.54 0.29 -0.10 2.91 -0.21 -0.99 -4.24 119.66 116.78 1jnu s GLN 1030Ca 0.07 0.22 -0.29 0.00 0.02 0.00 0.00 55.36 55.38 1jnu s GLN 1030Cb -0.11 -0.73 -0.04 0.00 1.00 0.00 0.00 33.01 33.12 1jnu s GLN 1030CO 0.01 -0.30 1.55 -2.00 -2.12 0.00 0.00 175.29 172.43 1jnu s GLU 1031N 1.96 4.14 0.00 2.91 2.12 -1.26 -1.24 118.70 127.34 1jnu s GLU 1031Ca 0.04 1.98 0.00 0.00 0.36 0.00 0.00 54.97 57.35 1jnu s GLU 1031Cb -0.12 -3.94 0.00 0.00 0.26 0.00 0.00 34.13 30.33 1jnu s GLU 1031CO -0.04 -0.87 0.41 0.00 -0.54 0.00 0.00 175.26 174.23