#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 6.88 0.11 3.14 0.15 -1.26 -4.61 113.70 118.11 1jnu s SER 930 Ca 0.00 1.08 -0.25 0.00 0.70 0.00 0.00 55.95 57.48 1jnu s SER 930 Cb 0.00 -2.41 0.08 0.00 -1.71 0.00 0.00 66.02 61.98 1jnu s SER 930 CO 0.00 -0.27 0.71 0.72 1.20 0.00 0.00 173.24 175.60 1jnu s PHE 931 N 1.65 -0.44 0.14 3.44 -0.12 -1.26 -1.53 117.98 119.85 1jnu s PHE 931 Ca 0.35 0.24 0.00 0.00 -0.05 0.00 0.00 56.93 57.47 1jnu s PHE 931 Cb -0.17 0.56 -0.04 0.00 -0.63 0.00 0.00 43.02 42.75 1jnu s PHE 931 CO 0.14 -0.78 0.03 0.14 -0.05 0.00 0.00 175.22 174.70 1jnu s VAL 932 N -3.54 0.32 -0.09 -2.49 -7.23 -0.52 -0.97 120.40 105.88 1jnu s VAL 932 Ca 0.03 -1.93 0.02 0.00 -1.81 0.00 0.00 61.98 58.29 1jnu s VAL 932 Cb -0.01 -2.03 0.02 0.00 0.56 0.00 0.00 36.38 34.92 1jnu s VAL 932 CO -0.10 -0.51 -0.12 -0.63 -0.31 0.00 0.00 175.10 173.42 1jnu s ILE 933 N -3.90 1.24 0.16 -0.62 1.01 0.77 -1.69 121.20 118.18 1jnu s ILE 933 Ca 0.23 -0.50 0.08 0.00 0.00 0.00 0.00 60.65 60.46 1jnu s ILE 933 Cb 0.07 -1.16 -0.04 0.00 0.01 0.00 0.00 42.46 41.34 1jnu s ILE 933 CO 0.02 0.39 -0.09 0.28 0.00 0.00 0.00 174.94 175.53 1jnu s THR 934 N 0.98 3.26 -0.39 2.92 -1.32 -0.33 -0.75 115.64 120.02 1jnu s THR 934 Ca -0.08 -1.55 0.00 0.00 -1.21 0.00 0.00 61.69 58.85 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 0.00 174.62 171.87 1jnu s ASP 935 N -2.69 5.03 0.00 8.08 -1.08 -0.98 -1.97 116.67 123.06 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 -1.74 0.67 0.00 -1.46 0.00 0.00 42.92 40.30 1jnu s ASP 935 CO 0.15 -0.46 1.35 -0.81 0.52 0.00 0.00 175.17 175.92 1jnu n PRO 936 N 4.39 0.18 -0.03 4.34 -0.04 -1.26 -2.06 135.00 140.51 1jnu n PRO 936 Ca 0.01 0.16 0.12 0.00 -0.04 0.00 0.00 63.50 63.76 1jnu n PRO 936 Cb 0.41 -1.50 0.50 0.00 -0.04 0.00 0.00 33.50 32.87 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 -1.29 1.60 -4.16 0.54 3.00 -1.26 -4.72 116.66 110.36 1jnu n ARG 937 Ca 0.06 -0.88 -0.23 0.00 -0.01 0.00 0.00 57.85 56.79 1jnu n ARG 937 Cb 0.11 -1.43 -0.06 0.00 0.00 0.00 0.00 32.46 31.08 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 -1.79 3.62 0.02 0.55 1.43 -0.88 -5.06 118.68 116.57 1jnu s LEU 938 Ca 0.36 -0.34 -0.30 0.00 -1.03 0.00 0.00 54.13 52.82 1jnu s LEU 938 Cb 0.19 -2.17 -0.07 0.00 0.03 0.00 0.00 46.19 44.17 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 -3.59 4.19 0.00 1.29 0.04 -1.26 -2.30 135.00 133.37 1jnu s PRO 939 Ca 0.32 2.28 0.00 0.00 0.04 0.00 0.00 61.00 63.64 1jnu s PRO 939 Cb -0.08 -3.79 0.00 0.00 0.04 0.00 0.00 34.50 30.67 1jnu s PRO 939 CO 0.23 -0.78 0.00 -3.47 0.04 0.00 0.00 177.00 173.01 1jnu n ASP 940 N 6.31 -2.75 -3.65 6.66 2.03 -1.26 -4.37 116.55 119.52 1jnu n ASP 940 Ca 0.17 0.00 -0.26 0.00 0.52 0.00 0.00 54.79 55.22 1jnu n ASP 940 Cb 0.42 -0.46 0.04 0.00 -0.72 0.00 0.00 41.12 40.40 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 0.00 -3.88 -4.75 1.67 4.05 -0.97 -4.58 115.26 106.79 1jnu n ASN 941 Ca 0.00 -0.91 -0.36 0.00 0.45 0.00 0.00 54.58 53.75 1jnu n ASN 941 Cb 0.00 -3.82 0.03 0.00 1.23 0.00 0.00 39.78 37.22 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 -5.79 3.07 -0.13 1.20 0.04 -1.26 -4.59 135.00 127.55 1jnu s PRO 942 Ca 0.30 1.89 -0.29 0.00 0.04 0.00 0.00 61.00 62.93 1jnu s PRO 942 Cb -0.09 -2.03 -0.02 0.00 0.04 0.00 0.00 34.50 32.40 1jnu s PRO 942 CO 0.83 -1.15 1.29 0.42 0.04 0.00 0.00 177.00 178.44 1jnu s ILE 943 N -1.53 4.19 -0.47 0.56 1.01 -0.83 -2.31 121.20 121.81 1jnu s ILE 943 Ca 0.75 1.46 0.16 0.00 0.00 0.00 0.00 60.65 63.02 1jnu s ILE 943 Cb -0.32 -3.94 -0.20 0.00 0.01 0.00 0.00 42.46 38.01 1jnu s ILE 943 CO 0.36 -0.10 0.54 2.30 0.00 0.00 0.00 174.94 178.04 1jnu n ILE 944 N 5.20 0.00 -3.72 2.92 -5.35 0.07 -0.78 119.36 117.69 1jnu n ILE 944 Ca 0.14 -0.22 -0.12 0.00 -0.27 0.00 0.00 62.75 62.27 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 -2.70 -0.48 -0.03 4.28 5.36 -1.00 -4.97 117.98 118.44 1jnu s PHE 945 Ca 0.02 1.12 -0.01 0.00 -0.96 0.00 0.00 56.93 57.10 1jnu s PHE 945 Cb 0.11 0.18 0.03 0.00 -0.34 0.00 0.00 43.02 43.00 1jnu s PHE 945 CO 0.65 -0.25 0.05 0.00 -1.46 0.00 0.00 175.22 174.20 1jnu s ALA 946 N 0.57 0.19 1.00 11.12 0.00 -1.26 -0.16 121.76 133.21 1jnu s ALA 946 Ca -0.03 0.22 -0.12 0.00 0.00 0.00 0.00 51.96 52.04 1jnu s ALA 946 Cb -0.05 -0.49 0.19 0.00 0.00 0.00 0.00 23.12 22.77 1jnu s ALA 946 CO -0.03 -0.35 1.08 -1.54 0.00 0.00 0.00 175.76 174.92 1jnu s SER 947 N 1.77 2.48 0.09 0.00 1.04 -0.15 -4.90 113.70 114.03 1jnu s SER 947 Ca -0.00 1.59 -0.20 0.00 0.48 0.00 0.00 55.95 57.82 1jnu s SER 947 Cb -0.12 -2.25 -0.09 0.00 0.10 0.00 0.00 66.02 63.65 1jnu s SER 947 CO -0.03 -3.28 1.59 0.44 0.98 0.00 0.00 173.24 172.94 1jnu h ASP 948 N -1.99 0.31 -0.76 7.02 3.32 -1.90 -2.84 116.42 119.57 1jnu h ASP 948 Ca -0.53 -0.22 0.19 0.00 0.02 0.00 0.00 57.03 56.50 1jnu h ASP 948 Cb 1.30 -0.08 -0.04 0.00 0.22 0.00 0.00 39.33 40.73 1jnu h ASP 948 CO 0.51 0.44 0.53 0.03 -1.72 0.00 0.00 179.24 179.03 1jnu h ARG 949 N 0.16 0.18 -0.09 3.56 -0.00 -1.93 -0.85 114.38 115.41 1jnu h ARG 949 Ca 0.07 -0.01 -0.01 0.00 -0.50 0.00 0.00 59.98 59.53 1jnu h ARG 949 Cb 0.25 -0.04 -0.00 0.00 0.00 0.00 0.00 29.97 30.18 1jnu h ARG 949 CO -0.00 0.12 0.03 0.35 0.00 0.00 0.00 179.97 180.46 1jnu h PHE 950 N 0.18 0.15 -0.33 3.04 3.57 -1.78 0.44 116.94 122.21 1jnu h PHE 950 Ca 0.38 -0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.82 1jnu h PHE 950 Cb 1.20 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.88 1jnu h PHE 950 CO -0.00 0.30 0.02 -0.07 -2.23 0.00 0.00 178.31 176.33 1jnu h LEU 951 N -0.04 0.46 0.49 0.59 3.38 -1.19 -0.68 115.31 118.31 1jnu h LEU 951 Ca 0.03 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 1jnu h LEU 951 Cb 0.22 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1jnu h LEU 951 CO -0.00 0.51 -0.24 -0.08 0.09 0.00 0.00 178.44 178.73 1jnu h GLU 952 N 0.48 -0.63 -0.89 1.13 4.81 -0.99 0.11 114.58 118.60 1jnu h GLU 952 Ca 0.11 0.04 0.11 0.00 -0.13 0.00 0.00 59.36 59.49 1jnu h GLU 952 Cb 0.28 0.14 -0.08 0.00 0.63 0.00 0.00 28.75 29.72 1jnu h GLU 952 CO 0.01 -0.33 0.52 1.25 -0.73 0.00 0.00 179.01 179.72 1jnu h LEU 953 N -0.90 0.73 -0.84 1.64 5.85 -0.59 -2.49 115.31 118.71 1jnu h LEU 953 Ca -0.07 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.71 1jnu h LEU 953 Cb 0.59 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.54 1jnu h LEU 953 CO 0.11 0.39 -0.32 0.35 -0.34 0.00 0.00 178.44 178.63 1jnu n THR 954 N -4.73 0.00 -1.29 1.05 -2.24 -0.29 -4.87 114.28 101.91 1jnu n THR 954 Ca 0.16 -0.22 -0.10 0.00 -2.27 0.00 0.00 64.05 61.62 1jnu n THR 954 Cb 0.33 0.85 -0.04 0.00 -2.10 0.00 0.00 70.33 69.37 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 -0.20 -1.31 -2.80 -0.78 1.02 0.38 -1.44 120.64 115.51 1jnu n GLU 955 Ca 0.11 0.81 -0.20 0.00 -0.02 0.00 0.00 57.16 57.87 1jnu n GLU 955 Cb 0.42 -5.00 0.03 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 -2.06 2.64 -0.06 -0.32 1.51 -1.14 -4.69 117.35 113.22 1jnu s TYR 956 Ca 0.00 -0.23 0.01 0.00 -1.01 0.00 0.00 57.07 55.84 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 -0.78 -0.06 -0.08 -1.11 0.00 0.00 175.55 173.52 1jnu s THR 957 N -2.63 3.80 0.38 -0.71 -1.32 -1.26 -4.73 115.64 109.17 1jnu s THR 957 Ca 0.57 -0.48 0.21 0.00 -1.21 0.00 0.00 61.69 60.79 1jnu s THR 957 Cb -0.10 -2.57 0.39 0.00 -1.51 0.00 0.00 72.50 68.71 1jnu s THR 957 CO 0.37 0.57 1.64 -0.09 -2.21 0.00 0.00 174.62 174.90 1jnu h ARG 958 N 5.14 0.18 0.00 7.08 2.43 -1.98 0.59 114.38 127.82 1jnu h ARG 958 Ca -0.49 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 58.63 1jnu h ARG 958 Cb 1.18 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.68 1jnu h ARG 958 CO 0.53 0.12 -0.19 0.93 -1.51 0.00 0.00 179.97 179.85 1jnu h GLU 959 N 0.19 0.00 0.01 0.20 3.07 -1.95 -2.58 114.58 113.52 1jnu h GLU 959 Ca 0.78 0.00 -0.10 0.00 -0.50 0.00 0.00 59.36 59.54 1jnu h GLU 959 Cb 2.06 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 29.98 1jnu h GLU 959 CO -0.56 0.19 -0.38 0.93 -1.40 0.00 0.00 179.01 177.78 1jnu h GLU 960 N 0.00 0.24 0.30 2.33 5.08 -0.22 -3.39 114.58 118.92 1jnu h GLU 960 Ca -0.00 -0.27 -0.01 0.00 -1.00 0.00 0.00 59.36 58.07 1jnu h GLU 960 Cb 0.36 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.69 1jnu h GLU 960 CO 0.02 1.01 -0.15 -0.39 -1.00 0.00 0.00 179.01 178.51 1jnu h VAL 961 N -0.42 0.55 -1.33 3.13 -1.51 -1.43 -3.43 116.25 111.80 1jnu h VAL 961 Ca -0.05 -0.78 -0.75 0.00 -1.23 0.00 0.00 66.70 63.89 1jnu h VAL 961 Cb 1.15 0.87 0.04 0.00 -2.13 0.00 0.00 31.29 31.23 1jnu h VAL 961 CO 0.07 0.12 0.36 0.18 -1.23 0.00 0.00 177.57 177.07 1jnu n LEU 962 N -5.07 1.01 0.00 4.19 4.77 -0.98 -0.70 117.00 120.22 1jnu n LEU 962 Ca -0.08 1.14 0.00 0.00 -0.03 0.00 0.00 56.01 57.03 1jnu n LEU 962 Cb 0.26 -1.05 0.00 0.00 -2.33 0.00 0.00 43.42 40.30 1jnu n LEU 962 CO 0.25 -1.32 0.00 0.61 -1.33 0.00 0.00 177.39 175.60 1jnu n GLY 963 N 2.40 1.43 3.70 -0.72 0.00 0.04 -4.97 105.19 107.07 1jnu n GLY 963 Ca 0.21 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.22 5.23 0.41 1.61 0.01 0.13 -4.67 114.94 115.44 1jnu s ASN 964 Ca 0.00 0.03 -0.25 0.00 -0.71 0.00 0.00 52.86 51.92 1jnu s ASN 964 Cb 0.00 -1.40 -0.08 0.00 0.41 0.00 0.00 41.25 40.18 1jnu s ASN 964 CO 0.00 0.28 1.22 0.21 -1.51 0.00 0.00 177.10 177.30 1jnu s ASN 965 N -1.57 6.36 0.60 -1.22 3.84 -1.26 -1.96 114.94 119.72 1jnu s ASN 965 Ca 0.20 2.47 0.32 0.00 0.21 0.00 0.00 52.86 56.05 1jnu s ASN 965 Cb -0.12 -2.62 1.89 0.00 -0.55 0.00 0.00 41.25 39.86 1jnu s ASN 965 CO 0.11 -0.80 2.26 0.00 -2.79 0.00 0.00 177.10 175.88 1jnu n ARG 967 N -3.75 0.03 0.00 0.00 1.85 -1.26 -1.90 116.66 111.63 1jnu n ARG 967 Ca -0.03 0.39 0.05 0.00 -1.00 0.00 0.00 57.85 57.26 1jnu n ARG 967 Cb 0.09 -1.88 0.29 0.00 -1.05 0.00 0.00 32.46 29.91 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 -1.58 0.00 1.00 2.89 -1.74 -1.23 -1.92 117.46 114.88 1jnu n PHE 968 Ca -0.00 0.00 0.11 0.00 -0.56 0.00 0.00 57.45 56.99 1jnu n PHE 968 Cb 0.27 0.00 -0.02 0.00 1.52 0.00 0.00 39.48 41.26 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 -0.80 0.90 -4.88 5.98 4.77 -0.80 -4.97 117.00 117.21 1jnu n LEU 969 Ca 0.07 -0.38 -0.30 0.00 -0.03 0.00 0.00 56.01 55.37 1jnu n LEU 969 Cb 0.03 -0.06 0.05 0.00 -2.33 0.00 0.00 43.42 41.11 1jnu n LEU 969 CO 0.05 0.22 0.75 -1.10 -1.33 0.00 0.00 177.39 175.99 1jnu s GLN 970 N -2.98 2.84 0.00 3.23 -0.21 -0.81 -1.18 119.66 120.55 1jnu s GLN 970 Ca 0.09 0.46 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 32.16 1jnu s GLN 970 CO 0.82 -1.05 0.00 0.41 -2.12 0.00 0.00 175.29 173.35 1jnu n GLY 971 N -2.99 2.55 0.35 3.09 0.00 -1.26 -4.81 105.19 102.11 1jnu n GLY 971 Ca 0.07 -1.18 0.05 0.00 0.00 0.00 0.00 46.02 44.96 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 0.75 -0.01 1.61 2.47 -1.98 -2.34 114.38 114.88 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 -0.17 0.00 0.00 -1.65 0.00 0.00 29.97 28.15 1jnu h ARG 972 CO 0.00 0.50 -0.03 0.41 0.56 0.00 0.00 179.97 181.40 1jnu n GLY 973 N -1.45 -0.63 3.68 0.04 0.00 -1.26 -4.88 105.19 100.69 1jnu n GLY 973 Ca 0.09 -0.31 -0.42 0.00 0.00 0.00 0.00 46.02 45.38 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 4.00 0.12 2.61 2.01 -0.88 -4.93 115.64 116.44 1jnu s THR 974 Ca 0.39 1.33 -0.31 0.00 0.31 0.00 0.00 61.69 63.41 1jnu s THR 974 Cb 0.21 -3.85 -0.09 0.00 0.01 0.00 0.00 72.50 68.78 1jnu s THR 974 CO 0.39 -0.03 1.51 -0.62 -0.69 0.00 0.00 174.62 175.18 1jnu s ASP 975 N 1.82 6.69 0.44 3.53 -1.08 -1.26 -4.91 116.67 121.89 1jnu s ASP 975 Ca 0.60 2.47 0.23 0.00 -0.52 0.00 0.00 52.55 55.33 1jnu s ASP 975 Cb -0.27 -2.58 0.42 0.00 -1.46 0.00 0.00 42.92 39.02 1jnu s ASP 975 CO 0.23 -0.77 1.63 0.03 0.52 0.00 0.00 175.17 176.82 1jnu h ARG 976 N 7.07 0.00 -0.13 4.34 3.08 -1.98 -3.01 114.38 123.75 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 0.90 0.04 -0.28 0.87 -1.07 0.00 0.00 179.97 180.43 1jnu h LYS 977 N 0.00 0.24 -0.01 0.04 1.79 -1.99 0.27 116.57 116.91 1jnu h LYS 977 Ca -0.00 -0.08 -0.01 0.00 -2.18 0.00 0.00 60.65 58.38 1jnu h LYS 977 Cb 0.98 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.62 1jnu h LYS 977 CO 0.01 0.51 -0.02 0.00 -1.08 0.00 0.00 179.45 178.86 1jnu h ALA 978 N 1.50 0.01 -0.08 3.86 0.00 -1.92 -2.80 119.26 119.84 1jnu h ALA 978 Ca 0.03 -0.31 0.02 0.00 0.00 0.00 0.00 54.91 54.66 1jnu h ALA 978 Cb 0.61 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 1jnu h ALA 978 CO 0.04 -0.17 0.07 0.28 0.00 0.00 0.00 179.25 179.47 1jnu h VAL 979 N -0.57 0.71 -0.13 0.00 2.07 -1.38 -1.50 116.25 115.45 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 0.62 0.95 -0.00 0.00 -1.52 0.00 0.00 31.29 31.34 1jnu h VAL 979 CO 0.00 0.00 -0.04 1.56 0.02 0.00 0.00 177.57 179.11 1jnu h GLN 980 N 0.00 0.26 0.16 1.57 4.20 -0.82 -2.06 115.11 118.42 1jnu h GLN 980 Ca 0.04 -0.11 0.02 0.00 0.06 0.00 0.00 58.65 58.66 1jnu h GLN 980 Cb 0.17 -0.01 -0.04 0.00 0.30 0.00 0.00 27.48 27.90 1jnu h GLN 980 CO -0.00 0.57 -0.41 -0.07 -0.67 0.00 0.00 178.83 178.25 1jnu h LEU 981 N -0.07 -1.19 -0.81 1.46 3.38 -1.02 -0.59 115.31 116.47 1jnu h LEU 981 Ca 0.03 0.13 0.18 0.00 0.09 0.00 0.00 57.88 58.31 1jnu h LEU 981 Cb 0.48 0.44 -0.11 0.00 0.09 0.00 0.00 40.66 41.56 1jnu h LEU 981 CO 0.02 -0.49 0.30 0.40 0.09 0.00 0.00 178.44 178.75 1jnu h ILE 982 N -0.67 0.55 -0.89 1.22 2.04 -1.46 0.26 117.51 118.56 1jnu h ILE 982 Ca 0.01 -0.13 -0.01 0.00 1.00 0.00 0.00 64.86 65.73 1jnu h ILE 982 Cb 0.68 0.13 -0.04 0.00 -0.74 0.00 0.00 36.82 36.85 1jnu h ILE 982 CO -0.21 0.07 0.51 -0.09 0.00 0.00 0.00 178.15 178.42 1jnu h ARG 983 N 0.38 1.23 0.34 2.37 2.43 -0.58 -2.10 114.38 118.46 1jnu h ARG 983 Ca 0.47 -0.13 -0.02 0.00 -0.81 0.00 0.00 59.98 59.49 1jnu h ARG 983 Cb 0.81 -0.25 0.00 0.00 -0.42 0.00 0.00 29.97 30.12 1jnu h ARG 983 CO -0.48 0.89 -0.16 -0.44 -1.51 0.00 0.00 179.97 178.26 1jnu h ASP 984 N 1.24 -0.39 -0.71 -3.80 3.45 0.96 -2.01 116.42 115.17 1jnu h ASP 984 Ca 0.32 -0.14 0.15 0.00 0.43 0.00 0.00 57.03 57.79 1jnu h ASP 984 Cb -0.00 0.10 -0.11 0.00 -0.56 0.00 0.00 39.33 38.76 1jnu h ASP 984 CO -0.05 -0.05 0.13 0.00 -1.57 0.00 0.00 179.24 177.70 1jnu h ALA 985 N -0.24 0.87 0.45 3.45 0.00 -0.96 0.28 119.26 123.10 1jnu h ALA 985 Ca -0.05 0.17 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1jnu h ALA 985 Cb 0.51 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1jnu h ALA 985 CO 0.08 -0.35 -0.22 0.28 0.00 0.00 0.00 179.25 179.04 1jnu h VAL 986 N 0.23 0.56 0.01 0.00 2.07 -1.32 0.93 116.25 118.73 1jnu h VAL 986 Ca 0.39 -0.13 -0.00 0.00 0.82 0.00 0.00 66.70 67.79 1jnu h VAL 986 Cb 0.66 0.62 0.00 0.00 -1.52 0.00 0.00 31.29 31.05 1jnu h VAL 986 CO -0.52 0.02 -0.00 0.11 0.02 0.00 0.00 177.57 177.20 1jnu h LYS 987 N -0.68 -0.01 0.00 1.57 6.56 -0.81 -0.65 116.57 122.56 1jnu h LYS 987 Ca -0.06 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.53 1jnu h LYS 987 Cb 0.50 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.16 1jnu h LYS 987 CO 0.10 0.03 0.00 -0.85 -2.06 0.00 0.00 179.45 176.67 1jnu n GLU 988 N -5.08 0.09 -3.58 3.15 0.28 0.93 -4.91 120.64 111.52 1jnu n GLU 988 Ca -0.07 0.19 -0.24 0.00 -0.16 0.00 0.00 57.16 56.88 1jnu n GLU 988 Cb 0.05 -1.50 0.05 0.00 1.43 0.00 0.00 31.44 31.46 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 -1.42 -2.78 -4.64 3.44 6.02 0.29 -5.01 117.38 113.28 1jnu n GLN 989 Ca 0.05 0.62 -0.29 0.00 -0.01 0.00 0.00 57.00 57.37 1jnu n GLN 989 Cb 0.16 -4.93 -0.08 0.00 1.02 0.00 0.00 30.24 26.41 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 -5.57 2.05 0.53 -1.09 0.52 0.96 -4.96 118.95 111.38 1jnu s ARG 990 Ca 0.30 -2.27 -0.06 0.00 -0.52 0.00 0.00 55.73 53.18 1jnu s ARG 990 Cb -0.08 -1.15 -0.03 0.00 0.52 0.00 0.00 34.95 34.21 1jnu s ARG 990 CO 0.81 -0.38 0.85 -0.51 0.02 0.00 0.00 175.30 176.10 1jnu s ASP 991 N -3.74 6.10 -0.06 0.23 1.11 -1.26 -4.63 116.67 114.43 1jnu s ASP 991 Ca 0.16 0.96 -0.30 0.00 0.18 0.00 0.00 52.55 53.55 1jnu s ASP 991 Cb 0.03 -2.16 0.11 0.00 1.07 0.00 0.00 42.92 41.97 1jnu s ASP 991 CO 0.09 -0.73 0.95 0.68 1.18 0.00 0.00 175.17 177.34 1jnu s VAL 992 N -2.87 0.00 -0.30 -1.27 -7.23 -1.22 -4.96 120.40 102.55 1jnu s VAL 992 Ca 0.50 0.00 -0.03 0.00 -1.81 0.00 0.00 61.98 60.64 1jnu s VAL 992 Cb -0.10 -1.00 0.11 0.00 0.56 0.00 0.00 36.38 35.94 1jnu s VAL 992 CO 0.46 0.00 0.14 -0.89 -0.31 0.00 0.00 175.10 174.50 1jnu s THR 993 N -2.69 0.02 0.03 5.32 2.01 -1.26 -0.84 115.64 118.23 1jnu s THR 993 Ca 0.05 -0.92 0.06 0.00 0.31 0.00 0.00 61.69 61.18 1jnu s THR 993 Cb -0.01 -1.04 -0.03 0.00 0.01 0.00 0.00 72.50 71.43 1jnu s THR 993 CO -0.07 -0.76 -0.14 -0.69 -0.69 0.00 0.00 174.62 172.28 1jnu s VAL 994 N 1.94 3.10 -0.26 3.82 1.01 -0.16 -4.96 120.40 124.88 1jnu s VAL 994 Ca 0.10 -1.05 -0.14 0.00 0.00 0.00 0.00 61.98 60.89 1jnu s VAL 994 Cb -0.17 -2.33 -0.04 0.00 0.00 0.00 0.00 36.38 33.84 1jnu s VAL 994 CO -0.32 0.35 0.31 -1.58 0.00 0.00 0.00 175.10 173.86 1jnu s GLN 995 N -1.46 4.03 0.06 2.72 0.74 -1.26 -1.22 119.66 123.26 1jnu s GLN 995 Ca 0.16 -0.05 0.03 0.00 0.05 0.00 0.00 55.36 55.55 1jnu s GLN 995 Cb -0.11 -3.63 -0.03 0.00 1.10 0.00 0.00 33.01 30.35 1jnu s GLN 995 CO 0.06 -0.18 -0.10 0.54 -0.55 0.00 0.00 175.29 175.06 1jnu s VAL 996 N 1.78 0.76 -0.12 1.34 0.11 -0.45 -4.97 120.40 118.84 1jnu s VAL 996 Ca 0.13 -1.19 -0.19 0.00 -2.93 0.00 0.00 61.98 57.80 1jnu s VAL 996 Cb -0.15 -0.82 -0.04 0.00 -1.53 0.00 0.00 36.38 33.84 1jnu s VAL 996 CO 0.09 -0.34 0.50 -0.22 -3.33 0.00 0.00 175.10 171.80 1jnu s LEU 997 N -1.69 4.27 0.39 2.54 2.96 -1.26 -0.71 118.68 125.17 1jnu s LEU 997 Ca -0.06 0.84 0.04 0.00 -0.22 0.00 0.00 54.13 54.72 1jnu s LEU 997 Cb -0.09 -2.73 -0.03 0.00 0.50 0.00 0.00 46.19 43.83 1jnu s LEU 997 CO 0.01 -0.02 0.11 0.20 -1.32 0.00 0.00 176.35 175.33 1jnu s ASN 998 N 0.67 2.69 -0.04 3.68 0.02 -0.34 -4.60 114.94 117.02 1jnu s ASN 998 Ca 0.27 -1.59 0.02 0.00 -1.02 0.00 0.00 52.86 50.53 1jnu s ASN 998 Cb -0.15 0.35 0.01 0.00 0.02 0.00 0.00 41.25 41.48 1jnu s ASN 998 CO 0.11 -0.84 -0.07 -0.31 0.02 0.00 0.00 177.10 176.00 1jnu s TYR 999 N -3.24 0.89 1.11 2.20 1.51 -0.33 -0.84 117.35 118.66 1jnu s TYR 999 Ca 0.26 -0.25 -0.16 0.00 -1.01 0.00 0.00 57.07 55.92 1jnu s TYR 999 Cb 0.04 -0.70 0.24 0.00 -0.11 0.00 0.00 41.96 41.43 1jnu s TYR 999 CO 0.14 -0.16 1.10 0.95 -1.11 0.00 0.00 175.55 176.48 1jnu s THR 1000N 0.56 1.80 0.37 -0.71 -4.23 0.18 -4.83 115.64 108.78 1jnu s THR 1000Ca -0.09 0.00 0.05 0.00 -1.18 0.00 0.00 61.69 60.48 1jnu s THR 1000Cb -0.12 -2.50 0.21 0.00 1.34 0.00 0.00 72.50 71.44 1jnu s THR 1000CO 0.01 0.00 1.96 0.50 -0.54 0.00 0.00 174.62 176.55 1jnu h LYS 1001N -2.26 0.57 -0.04 3.99 3.64 -1.52 -2.47 116.57 118.48 1jnu h LYS 1001Ca -0.50 -0.08 -0.06 0.00 -1.27 0.00 0.00 60.65 58.75 1jnu h LYS 1001Cb 1.31 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 33.02 1jnu h LYS 1001CO 0.46 0.48 -0.25 0.78 -2.27 0.00 0.00 179.45 178.65 1jnu h GLY 1002N 0.73 0.07 0.00 5.01 0.00 -1.89 -3.46 103.07 103.53 1jnu h GLY 1002Ca 0.14 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.42 1jnu h GLY 1002CO -0.01 0.05 0.00 0.61 0.00 0.00 0.00 176.54 177.18 1jnu n GLY 1003N -0.75 1.20 3.71 4.60 0.00 -0.93 -5.10 105.19 107.93 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 4.39 0.16 1.61 3.52 -1.26 -4.75 118.95 122.61 1jnu s ARG 1004Ca 0.00 1.90 -0.18 0.00 -0.13 0.00 0.00 55.73 57.32 1jnu s ARG 1004Cb 0.00 -3.30 -0.07 0.00 -1.56 0.00 0.00 34.95 30.01 1jnu s ARG 1004CO 0.00 -0.33 0.63 0.00 -0.81 0.00 0.00 175.30 174.79 1jnu s ALA 1005N 1.06 3.51 0.05 6.12 0.00 -1.26 -0.64 121.76 130.59 1jnu s ALA 1005Ca 0.61 0.04 -0.09 0.00 0.00 0.00 0.00 51.96 52.52 1jnu s ALA 1005Cb -0.32 -2.68 0.00 0.00 0.00 0.00 0.00 23.12 20.11 1jnu s ALA 1005CO 0.30 0.39 0.19 -0.59 0.00 0.00 0.00 175.76 176.04 1jnu s PHE 1006N -1.39 0.08 0.02 0.00 -0.71 -0.02 -4.96 117.98 111.00 1jnu s PHE 1006Ca 0.38 -0.34 -0.23 0.00 -1.04 0.00 0.00 56.93 55.70 1jnu s PHE 1006Cb -0.17 -0.04 -0.05 0.00 -1.21 0.00 0.00 43.02 41.55 1jnu s PHE 1006CO 0.20 -0.45 0.68 -1.58 -1.34 0.00 0.00 175.22 172.73 1jnu s TRP 1007N -2.83 3.71 -0.28 3.49 0.52 -1.26 -1.20 118.94 121.10 1jnu s TRP 1007Ca -0.03 1.34 0.03 0.00 0.02 0.00 0.00 56.10 57.46 1jnu s TRP 1007Cb 0.00 -2.72 0.07 0.00 -1.15 0.00 0.00 33.47 29.67 1jnu s TRP 1007CO -0.05 0.31 -0.08 1.21 0.02 0.00 0.00 176.95 178.36 1jnu s ASN 1008N -0.12 4.51 -0.78 2.95 3.84 0.11 -1.73 114.94 123.72 1jnu s ASN 1008Ca 0.35 -1.55 -0.24 0.00 0.21 0.00 0.00 52.86 51.64 1jnu s ASN 1008Cb -0.19 -1.56 0.06 0.00 -0.55 0.00 0.00 41.25 39.00 1jnu s ASN 1008CO 0.20 -0.23 1.18 -0.22 -2.79 0.00 0.00 177.10 175.24 1jnu s LEU 1009N 1.06 3.87 -0.18 3.21 2.96 -0.33 -1.34 118.68 127.93 1jnu s LEU 1009Ca -0.05 -0.99 -0.10 0.00 -0.22 0.00 0.00 54.13 52.77 1jnu s LEU 1009Cb -0.20 -2.49 -0.05 0.00 0.50 0.00 0.00 46.19 43.95 1jnu s LEU 1009CO -0.06 -1.56 0.15 0.12 -1.32 0.00 0.00 176.35 173.69 1jnu s PHE 1010N 4.67 3.44 -0.11 5.38 5.36 -0.35 -2.41 117.98 133.94 1jnu s PHE 1010Ca 0.32 0.39 0.03 0.00 -0.96 0.00 0.00 56.93 56.70 1jnu s PHE 1010Cb -0.09 -2.15 0.01 0.00 -0.34 0.00 0.00 43.02 40.44 1jnu s PHE 1010CO 0.06 0.34 -0.20 -1.58 -1.46 0.00 0.00 175.22 172.39 1jnu s HIS 1011N 0.20 2.33 -0.01 10.12 5.65 -0.76 -0.99 115.29 131.82 1jnu s HIS 1011Ca 0.10 -1.08 0.00 0.00 0.25 0.00 0.00 55.06 54.33 1jnu s HIS 1011Cb -0.11 -1.61 -0.04 0.00 -1.18 0.00 0.00 32.58 29.64 1jnu s HIS 1011CO -0.01 -0.50 0.04 -1.17 -0.65 0.00 0.00 174.74 172.46 1jnu s LEU 1012N 0.74 3.73 -0.07 8.88 2.96 -0.02 -1.56 118.68 133.34 1jnu s LEU 1012Ca -0.11 0.09 -0.10 0.00 -0.22 0.00 0.00 54.13 53.80 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 0.01 0.29 0.26 -1.10 -1.32 0.00 0.00 176.35 174.49 1jnu s GLN 1013N -1.58 0.40 -0.21 1.98 -0.21 -0.74 -3.43 119.66 115.88 1jnu s GLN 1013Ca 0.21 0.17 -0.11 0.00 0.02 0.00 0.00 55.36 55.64 1jnu s GLN 1013Cb -0.12 0.19 -0.05 0.00 1.00 0.00 0.00 33.01 34.03 1jnu s GLN 1013CO 0.11 -0.08 0.16 0.08 -2.12 0.00 0.00 175.29 173.45 1jnu s VAL 1014N -0.34 5.38 -1.09 1.09 1.01 -1.26 -0.95 120.40 124.24 1jnu s VAL 1014Ca -0.05 0.24 -0.16 0.00 0.00 0.00 0.00 61.98 62.01 1jnu s VAL 1014Cb -0.03 -3.50 0.15 0.00 0.00 0.00 0.00 36.38 32.99 1jnu s VAL 1014CO 0.01 0.40 1.32 -0.04 0.00 0.00 0.00 175.10 176.80 1jnu s MET 1015N 0.58 3.87 0.00 2.72 -1.94 0.81 -4.75 119.30 120.59 1jnu s MET 1015Ca 0.09 -2.17 0.12 0.00 -1.71 0.00 0.00 55.69 52.02 1jnu s MET 1015Cb -0.12 -5.03 0.74 0.00 2.01 0.00 0.00 34.83 32.42 1jnu s MET 1015CO 0.01 -1.80 1.20 -2.13 -0.01 0.00 0.00 175.02 172.28 1jnu n ARG 1016N 6.25 0.59 -0.96 2.03 0.63 -1.26 -0.42 116.66 123.52 1jnu n ARG 1016Ca 0.32 0.00 -0.26 0.00 -0.92 0.00 0.00 57.85 56.98 1jnu n ARG 1016Cb 0.46 -1.33 -0.10 0.00 0.45 0.00 0.00 32.46 31.95 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 -0.83 0.19 0.00 6.15 2.03 -1.26 -3.69 116.55 119.14 1jnu n ASP 1017Ca 0.09 0.12 0.00 0.00 0.52 0.00 0.00 54.79 55.52 1jnu n ASP 1017Cb 0.04 -0.59 0.00 0.00 -0.72 0.00 0.00 41.12 39.85 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 5.44 0.00 -2.68 -0.67 4.07 -1.26 -4.19 120.64 121.35 1jnu n GLU 1018Ca 0.42 0.00 -0.05 0.00 -0.06 0.00 0.00 57.16 57.48 1jnu n GLU 1018Cb 0.02 0.00 0.11 0.00 -0.06 0.00 0.00 31.44 31.50 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 -1.52 0.00 4.31 3.02 -1.24 -4.92 115.26 114.91 1jnu n ASN 1019Ca 0.00 -2.30 0.00 0.00 -0.03 0.00 0.00 54.58 52.25 1jnu n ASN 1019Cb 0.00 1.31 0.00 0.00 -0.61 0.00 0.00 39.78 40.48 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 0.55 3.28 3.77 7.41 0.00 -1.26 -5.07 105.19 113.87 1jnu n GLY 1020Ca -0.02 -0.93 -0.40 0.00 0.00 0.00 0.00 46.02 44.67 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 6.92 0.08 1.61 1.01 -1.26 -4.96 116.67 120.07 1jnu s ASP 1021Ca 0.00 2.49 -0.30 0.00 0.71 0.00 0.00 52.55 55.45 1jnu s ASP 1021Cb 0.00 -2.64 -0.05 0.00 1.01 0.00 0.00 42.92 41.24 1jnu s ASP 1021CO 0.00 -0.41 0.99 -0.69 0.21 0.00 0.00 175.17 175.27 1jnu s VAL 1022N -1.18 4.53 -0.13 -1.27 1.01 -1.26 -4.18 120.40 117.91 1jnu s VAL 1022Ca 0.48 2.00 -0.01 0.00 0.00 0.00 0.00 61.98 64.45 1jnu s VAL 1022Cb -0.36 -4.28 -0.08 0.00 0.00 0.00 0.00 36.38 31.67 1jnu s VAL 1022CO 0.47 0.26 -0.13 0.00 0.00 0.00 0.00 175.10 175.69 1jnu n GLN 1023N 3.13 0.32 -4.02 2.72 0.00 0.44 -4.96 117.38 115.01 1jnu n GLN 1023Ca 0.04 0.09 -0.09 0.00 0.00 0.00 0.00 57.00 57.04 1jnu n GLN 1023Cb 0.49 -1.18 -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 -2.26 0.52 -0.08 2.61 1.51 -1.13 -4.39 117.35 114.15 1jnu s TYR 1024Ca -0.18 -0.93 0.04 0.00 -1.01 0.00 0.00 57.07 54.99 1jnu s TYR 1024Cb 0.05 -0.25 -0.01 0.00 -0.11 0.00 0.00 41.96 41.65 1jnu s TYR 1024CO 0.29 -0.57 -0.22 -0.06 -1.11 0.00 0.00 175.55 173.88 1jnu s PHE 1025N -3.97 2.55 -0.14 2.71 0.08 -0.83 -0.13 117.98 118.24 1jnu s PHE 1025Ca 0.16 -0.70 -0.01 0.00 0.12 0.00 0.00 56.93 56.50 1jnu s PHE 1025Cb 0.06 -1.66 -0.01 0.00 -0.57 0.00 0.00 43.02 40.83 1jnu s PHE 1025CO -0.03 -0.21 -0.12 0.42 -0.10 0.00 0.00 175.22 175.18 1jnu s ILE 1026N -0.06 3.06 -0.11 0.64 1.01 -0.13 -1.18 121.20 124.43 1jnu s ILE 1026Ca -0.06 -0.65 0.02 0.00 0.00 0.00 0.00 60.65 59.97 1jnu s ILE 1026Cb -0.14 -2.30 0.01 0.00 0.01 0.00 0.00 42.46 40.04 1jnu s ILE 1026CO 0.05 0.51 -0.18 -0.83 0.00 0.00 0.00 174.94 174.49 1jnu s GLY 1027N 0.53 1.13 -0.19 6.18 0.00 -0.68 -1.80 107.32 112.49 1jnu s GLY 1027Ca -0.08 -0.81 -0.08 0.00 0.00 0.00 0.00 44.72 43.75 1jnu s GLY 1027CO 0.04 0.07 0.07 0.14 0.00 0.00 0.00 173.10 173.42 1jnu s VAL 1028N 0.80 4.86 -0.06 1.40 1.01 -0.60 -1.43 120.40 126.39 1jnu s VAL 1028Ca -0.10 -0.01 0.03 0.00 0.00 0.00 0.00 61.98 61.91 1jnu s VAL 1028Cb -0.16 -3.20 -0.02 0.00 0.00 0.00 0.00 36.38 33.00 1jnu s VAL 1028CO 0.01 0.45 -0.15 -1.10 0.00 0.00 0.00 175.10 174.31 1jnu s GLN 1029N 0.44 2.57 -0.05 2.72 1.11 -0.58 -1.82 119.66 124.04 1jnu s GLN 1029Ca 0.04 -0.70 -0.01 0.00 0.01 0.00 0.00 55.36 54.69 1jnu s GLN 1029Cb -0.12 -2.39 0.03 0.00 -1.01 0.00 0.00 33.01 29.52 1jnu s GLN 1029CO 0.00 0.58 0.03 -0.65 0.01 0.00 0.00 175.29 175.27 1jnu s GLN 1030N -0.63 0.17 -0.10 2.91 -0.21 -1.01 -4.26 119.66 116.53 1jnu s GLN 1030Ca 0.09 0.25 -0.30 0.00 0.02 0.00 0.00 55.36 55.43 1jnu s GLN 1030Cb -0.11 -0.63 -0.04 0.00 1.00 0.00 0.00 33.01 33.24 1jnu s GLN 1030CO 0.01 -0.29 1.44 -2.00 -2.12 0.00 0.00 175.29 172.33 1jnu s GLU 1031N 1.90 4.22 0.00 2.91 2.12 -1.26 -1.19 118.70 127.40 1jnu s GLU 1031Ca 0.02 1.92 0.00 0.00 0.36 0.00 0.00 54.97 57.27 1jnu s GLU 1031Cb -0.12 -3.83 0.00 0.00 0.26 0.00 0.00 34.13 30.44 1jnu s GLU 1031CO -0.03 -0.74 0.39 0.00 -0.54 0.00 0.00 175.26 174.33