#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jg5 s TYR 2 N 0.00 2.48 0.01 0.54 2.02 -1.26 -2.20 117.35 118.94 1jg5 s TYR 2 Ca 0.00 -0.41 0.00 0.00 -0.37 0.00 0.00 57.07 56.29 1jg5 s TYR 2 Cb 0.00 -1.35 -0.01 0.00 -0.40 0.00 0.00 41.96 40.20 1jg5 s TYR 2 CO 0.00 0.56 -0.03 -1.17 -1.57 0.00 0.00 175.55 173.34 1jg5 s LEU 3 N -3.65 2.09 -0.11 -1.29 2.96 0.10 -4.99 118.68 113.79 1jg5 s LEU 3 Ca 0.33 -0.21 0.00 0.00 -0.22 0.00 0.00 54.13 54.03 1jg5 s LEU 3 Cb -0.01 -0.03 0.02 0.00 0.50 0.00 0.00 46.19 46.67 1jg5 s LEU 3 CO 0.18 -0.09 -0.10 -0.76 -1.32 0.00 0.00 176.35 174.26 1jg5 s LEU 4 N -0.59 1.38 0.21 -0.68 1.43 -1.26 -1.53 118.68 117.65 1jg5 s LEU 4 Ca -0.05 -0.35 0.08 0.00 -1.03 0.00 0.00 54.13 52.78 1jg5 s LEU 4 Cb -0.04 -0.93 -0.05 0.00 0.03 0.00 0.00 46.19 45.20 1jg5 s LEU 4 CO -0.00 -0.08 -0.16 0.27 0.23 0.00 0.00 176.35 176.61 1jg5 s ILE 5 N 1.48 1.86 0.25 -0.59 -4.36 -1.10 -4.29 121.20 114.45 1jg5 s ILE 5 Ca 0.02 -2.23 -0.18 0.00 -0.26 0.00 0.00 60.65 58.01 1jg5 s ILE 5 Cb -0.13 -2.07 0.01 0.00 1.25 0.00 0.00 42.46 41.52 1jg5 s ILE 5 CO -0.07 -0.55 0.60 -0.94 0.24 0.00 0.00 174.94 174.23 1jg5 s SER 6 N -3.31 -0.21 -0.10 4.36 1.04 -0.02 -1.90 113.70 113.57 1jg5 s SER 6 Ca 0.23 -0.69 -0.31 0.00 0.48 0.00 0.00 55.95 55.66 1jg5 s SER 6 Cb -0.02 0.65 0.09 0.00 0.10 0.00 0.00 66.02 66.85 1jg5 s SER 6 CO 0.08 -1.22 0.82 0.28 0.98 0.00 0.00 173.24 174.18 1jg5 s THR 7 N -3.94 0.00 0.45 2.02 -1.32 -0.81 -0.63 115.64 111.41 1jg5 s THR 7 Ca 0.15 0.00 -0.05 0.00 -1.21 0.00 0.00 61.69 60.57 1jg5 s THR 7 Cb -0.03 -1.00 -0.04 0.00 -1.51 0.00 0.00 72.50 69.92 1jg5 s THR 7 CO 0.06 0.00 0.75 -1.10 -2.21 0.00 0.00 174.62 172.12 1jg5 s GLN 8 N -1.17 3.57 0.51 7.08 -1.52 -1.26 -0.16 119.66 126.70 1jg5 s GLN 8 Ca -0.07 0.18 -0.19 0.00 -1.95 0.00 0.00 55.36 53.33 1jg5 s GLN 8 Cb -0.00 -2.41 -0.08 0.00 -0.22 0.00 0.00 33.01 30.30 1jg5 s GLN 8 CO 0.06 -0.14 1.02 0.96 -0.25 0.00 0.00 175.29 176.95 1jg5 s ILE 9 N -2.63 3.97 0.56 1.08 -4.36 -0.43 -4.17 121.20 115.22 1jg5 s ILE 9 Ca 0.47 1.13 -0.18 0.00 -0.26 0.00 0.00 60.65 61.81 1jg5 s ILE 9 Cb -0.10 -3.49 -0.05 0.00 1.25 0.00 0.00 42.46 40.07 1jg5 s ILE 9 CO 0.42 -0.37 1.08 -0.13 0.24 0.00 0.00 174.94 176.18 1jg5 s ARG 10 N -3.52 3.39 0.37 0.37 1.81 -1.26 -5.07 118.95 115.05 1jg5 s ARG 10 Ca 0.65 1.38 0.26 0.00 -1.72 0.00 0.00 55.73 56.29 1jg5 s ARG 10 Cb -0.14 -2.03 0.73 0.00 -0.45 0.00 0.00 34.95 33.05 1jg5 s ARG 10 CO 0.24 -0.77 1.74 0.00 -0.68 0.00 0.00 175.30 175.82 1jg5 h MET 11 N 0.89 0.00 0.00 3.54 -0.00 -1.95 -3.31 114.93 114.10 1jg5 h MET 11 Ca -0.48 0.00 -0.01 0.00 -0.00 0.00 0.00 59.70 59.20 1jg5 h MET 11 Cb 1.23 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 32.83 1jg5 h MET 11 CO 0.57 0.00 -0.05 0.93 -0.00 0.00 0.00 176.91 178.36 1jg5 h GLU 12 N 0.00 0.00 -5.32 -0.10 3.07 -1.99 -3.36 114.58 106.89 1jg5 h GLU 12 Ca 0.00 0.00 -0.53 0.00 -0.50 0.00 0.00 59.36 58.33 1jg5 h GLU 12 Cb 0.77 0.00 -0.14 0.00 -0.84 0.00 0.00 28.75 28.54 1jg5 h GLU 12 CO 0.00 0.05 -0.59 0.14 -1.40 0.00 0.00 179.01 177.21 1jg5 s VAL 13 N -4.13 1.34 0.12 3.13 -7.23 -1.25 -4.71 120.40 107.68 1jg5 s VAL 13 Ca -0.03 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.13 1jg5 s VAL 13 Cb 0.12 -2.78 0.03 0.00 0.56 0.00 0.00 36.38 34.31 1jg5 s VAL 13 CO 0.53 0.00 0.16 0.61 -0.31 0.00 0.00 175.10 176.09 1jg5 n GLY 14 N -0.80 -0.38 3.88 2.32 0.00 -1.26 -4.55 105.19 104.41 1jg5 n GLY 14 Ca -0.04 -1.80 -0.29 0.00 0.00 0.00 0.00 46.02 43.89 1jg5 n GLY 14 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1jg5 s PRO 15 N -3.13 1.66 -0.19 1.61 0.04 -1.26 -4.98 135.00 128.76 1jg5 s PRO 15 Ca 0.10 0.08 0.00 0.00 0.04 0.00 0.00 61.00 61.22 1jg5 s PRO 15 Cb -0.00 -1.92 0.04 0.00 0.04 0.00 0.00 34.50 32.66 1jg5 s PRO 15 CO 0.07 -1.80 -0.08 0.99 0.04 0.00 0.00 177.00 176.22 1jg5 s THR 16 N -3.56 1.40 -0.33 1.26 2.01 -0.15 -4.62 115.64 111.65 1jg5 s THR 16 Ca 0.64 -0.87 -0.29 0.00 0.31 0.00 0.00 61.69 61.48 1jg5 s THR 16 Cb -0.11 -1.54 -0.01 0.00 0.01 0.00 0.00 72.50 70.86 1jg5 s THR 16 CO 0.50 0.12 1.51 -0.04 -0.69 0.00 0.00 174.62 176.02 1jg5 s MET 17 N 1.50 3.66 0.00 4.92 -1.94 0.20 -2.04 119.30 125.60 1jg5 s MET 17 Ca -0.01 1.27 0.16 0.00 -1.71 0.00 0.00 55.69 55.40 1jg5 s MET 17 Cb -0.16 -4.03 0.29 0.00 2.01 0.00 0.00 34.83 32.94 1jg5 s MET 17 CO -0.08 -1.46 1.19 1.55 -0.01 0.00 0.00 175.02 176.22 1jg5 n VAL 18 N 6.79 0.49 0.00 -6.03 3.14 0.27 -0.84 118.33 122.15 1jg5 n VAL 18 Ca 0.18 -0.74 0.00 0.00 -2.96 0.00 0.00 64.34 60.81 1jg5 n VAL 18 Cb 0.47 0.93 0.00 0.00 -1.06 0.00 0.00 33.84 34.18 1jg5 n VAL 18 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1jg5 n GLY 19 N 0.96 0.20 3.82 7.55 0.00 -1.02 -4.83 105.19 111.88 1jg5 n GLY 19 Ca 0.13 -0.92 -0.25 0.00 0.00 0.00 0.00 46.02 44.99 1jg5 n GLY 19 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1jg5 s ASP 20 N 0.00 4.62 0.66 1.61 -4.77 -1.26 -1.28 116.67 116.24 1jg5 s ASP 20 Ca 0.00 -1.08 0.37 0.00 -3.30 0.00 0.00 52.55 48.54 1jg5 s ASP 20 Cb 0.00 -0.18 2.03 0.00 -1.09 0.00 0.00 42.92 43.68 1jg5 s ASP 20 CO 0.00 -0.75 2.16 1.05 0.70 0.00 0.00 175.17 178.33 1jg5 h GLU 21 N 1.12 0.00 -0.49 2.11 4.11 -1.95 -0.06 114.58 119.42 1jg5 h GLU 21 Ca -0.41 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.02 1jg5 h GLU 21 Cb 1.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.52 1jg5 h GLU 21 CO 0.63 0.00 0.00 0.72 0.07 0.00 0.00 179.01 180.43 1jg5 n HIS 22 N -3.08 0.65 -1.73 2.06 8.25 -1.26 -4.98 115.22 115.14 1jg5 n HIS 22 Ca -0.02 -0.32 -0.34 0.00 -0.26 0.00 0.00 57.72 56.77 1jg5 n HIS 22 Cb 0.22 0.00 0.06 0.00 1.12 0.00 0.00 29.99 31.39 1jg5 n HIS 22 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1jg5 s SER 23 N -1.21 4.82 -0.01 0.41 0.01 -0.04 -4.90 113.70 112.79 1jg5 s SER 23 Ca 0.39 2.25 -0.30 0.00 1.31 0.00 0.00 55.95 59.60 1jg5 s SER 23 Cb 0.21 -2.58 -0.09 0.00 0.21 0.00 0.00 66.02 63.78 1jg5 s SER 23 CO 0.29 -1.84 2.01 -0.67 0.41 0.00 0.00 173.24 173.44 1jg5 n ASP 24 N -2.25 4.00 0.25 2.44 4.64 -1.26 -4.84 116.55 119.54 1jg5 n ASP 24 Ca 0.12 0.79 0.07 0.00 -1.38 0.00 0.00 54.79 54.40 1jg5 n ASP 24 Cb 0.51 -1.53 0.60 0.00 -1.04 0.00 0.00 41.12 39.66 1jg5 n ASP 24 CO 0.00 0.00 0.00 1.55 -0.82 0.00 0.00 177.20 177.93 1jg5 h PRO 25 N 11.27 0.00 0.46 -0.67 0.13 -1.96 -1.52 132.00 139.70 1jg5 h PRO 25 Ca -0.48 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.62 1jg5 h PRO 25 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1jg5 h PRO 25 CO 0.94 0.06 -0.22 1.49 -0.23 0.00 0.00 178.00 180.04 1jg5 h GLU 26 N 0.00 -0.60 -0.36 0.86 4.57 -2.00 -2.58 114.58 114.47 1jg5 h GLU 26 Ca -0.00 0.04 0.07 0.00 -1.18 0.00 0.00 59.36 58.29 1jg5 h GLU 26 Cb 0.10 0.14 -0.06 0.00 -0.16 0.00 0.00 28.75 28.76 1jg5 h GLU 26 CO 0.01 -0.29 -0.04 1.25 -1.18 0.00 0.00 179.01 178.75 1jg5 h LEU 27 N -0.96 -0.24 -1.67 1.64 6.46 -1.88 -1.09 115.31 117.57 1jg5 h LEU 27 Ca -0.06 0.10 0.10 0.00 -0.12 0.00 0.00 57.88 57.89 1jg5 h LEU 27 Cb 0.58 0.19 -0.03 0.00 -0.73 0.00 0.00 40.66 40.66 1jg5 h LEU 27 CO 0.10 -0.08 0.39 0.24 -0.62 0.00 0.00 178.44 178.47 1jg5 h MET 28 N 0.05 0.37 -0.01 1.25 2.86 -1.32 -2.12 114.93 116.00 1jg5 h MET 28 Ca 0.18 -0.02 -0.23 0.00 -2.06 0.00 0.00 59.70 57.57 1jg5 h MET 28 Cb 0.26 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 31.84 1jg5 h MET 28 CO -0.33 0.24 -0.93 0.37 1.06 0.00 0.00 176.91 177.32 1jg5 h GLN 29 N 0.38 0.46 0.00 1.72 4.15 -0.80 -0.29 115.11 120.74 1jg5 h GLN 29 Ca 0.27 -0.47 -0.02 0.00 0.77 0.00 0.00 58.65 59.19 1jg5 h GLN 29 Cb 0.54 0.13 -0.00 0.00 0.21 0.00 0.00 27.48 28.36 1jg5 h GLN 29 CO -0.07 1.12 -0.09 1.96 -1.93 0.00 0.00 178.83 179.83 1jg5 h GLN 30 N 0.26 0.00 -0.28 1.69 4.20 -0.78 -1.77 115.11 118.44 1jg5 h GLN 30 Ca -0.08 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.63 1jg5 h GLN 30 Cb 1.56 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.34 1jg5 h GLN 30 CO 0.16 0.09 0.00 1.28 -0.67 0.00 0.00 178.83 179.69 1jg5 n LEU 31 N -3.35 2.76 -3.30 1.46 4.77 -1.09 -4.95 117.00 113.30 1jg5 n LEU 31 Ca -0.01 -1.16 -0.21 0.00 -0.03 0.00 0.00 56.01 54.60 1jg5 n LEU 31 Cb 0.27 -0.18 0.07 0.00 -2.33 0.00 0.00 43.42 41.25 1jg5 n LEU 31 CO 0.28 0.58 0.20 0.61 -1.33 0.00 0.00 177.39 177.74 1jg5 n GLY 32 N 1.36 -0.39 3.85 -0.72 0.00 -0.66 -4.91 105.19 103.72 1jg5 n GLY 32 Ca 0.18 0.15 -0.33 0.00 0.00 0.00 0.00 46.02 46.01 1jg5 n GLY 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jg5 s ALA 33 N -3.30 3.47 -0.06 4.61 0.00 -0.13 -4.75 121.76 121.60 1jg5 s ALA 33 Ca 0.43 -0.08 0.06 0.00 0.00 0.00 0.00 51.96 52.37 1jg5 s ALA 33 Cb -0.19 -2.61 -0.01 0.00 0.00 0.00 0.00 23.12 20.31 1jg5 s ALA 33 CO 0.66 0.42 -0.24 -1.12 0.00 0.00 0.00 175.76 175.48 1jg5 s SER 34 N -2.08 3.12 0.46 0.00 0.01 -0.70 -4.79 113.70 109.73 1jg5 s SER 34 Ca 0.46 -0.50 -0.05 0.00 1.31 0.00 0.00 55.95 57.17 1jg5 s SER 34 Cb -0.13 -0.93 -0.04 0.00 0.21 0.00 0.00 66.02 65.14 1jg5 s SER 34 CO 0.19 0.24 0.76 -0.75 0.41 0.00 0.00 173.24 174.09 1jg5 s LYS 35 N -0.11 3.55 0.00 12.44 2.20 -1.26 -2.37 119.74 134.18 1jg5 s LYS 35 Ca -0.05 0.16 0.00 0.00 -0.36 0.00 0.00 55.97 55.72 1jg5 s LYS 35 Cb -0.14 -2.40 0.00 0.00 -1.51 0.00 0.00 37.83 33.77 1jg5 s LYS 35 CO 0.04 -0.16 0.00 2.89 -0.36 0.00 0.00 175.35 177.76 1jg5 n ARG 36 N -2.17 -1.84 -4.71 4.03 1.85 -0.81 -4.95 116.66 108.07 1jg5 n ARG 36 Ca 0.00 0.00 -0.26 0.00 -1.00 0.00 0.00 57.85 56.59 1jg5 n ARG 36 Cb 0.55 0.00 -0.14 0.00 -1.05 0.00 0.00 32.46 31.82 1jg5 n ARG 36 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 1jg5 s ARG 37 N -2.00 1.47 -0.61 2.89 0.52 -1.26 -1.09 118.95 118.86 1jg5 s ARG 37 Ca 0.00 -0.95 -0.08 0.00 -0.52 0.00 0.00 55.73 54.18 1jg5 s ARG 37 Cb 0.00 -1.58 0.16 0.00 0.52 0.00 0.00 34.95 34.05 1jg5 s ARG 37 CO 0.00 0.41 0.48 0.08 0.02 0.00 0.00 175.30 176.28 1jg5 s VAL 38 N -0.78 4.31 0.00 3.52 1.01 -1.26 -4.95 120.40 122.25 1jg5 s VAL 38 Ca 0.08 -2.43 0.00 0.00 0.00 0.00 0.00 61.98 59.64 1jg5 s VAL 38 Cb -0.09 -3.78 0.00 0.00 0.00 0.00 0.00 36.38 32.51 1jg5 s VAL 38 CO 0.02 -0.87 0.00 0.18 0.00 0.00 0.00 175.10 174.42 1jg5 n LEU 39 N 4.11 0.00 0.00 3.92 4.32 -1.26 0.51 117.00 128.60 1jg5 n LEU 39 Ca 0.04 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.03 1jg5 n LEU 39 Cb 0.41 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.21 1jg5 n LEU 39 CO 0.37 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 177.15 1jg5 n GLY 40 N 0.00 2.73 3.60 -0.72 0.00 -1.26 -5.01 105.19 104.53 1jg5 n GLY 40 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1jg5 n GLY 40 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1jg5 s ASN 41 N -1.32 6.31 0.00 1.61 -0.87 0.18 -4.82 114.94 116.03 1jg5 s ASN 41 Ca 0.00 0.86 0.29 0.00 -1.57 0.00 0.00 52.86 52.44 1jg5 s ASN 41 Cb 0.00 -2.54 1.33 0.00 -0.02 0.00 0.00 41.25 40.02 1jg5 s ASN 41 CO 0.00 -1.45 1.90 -0.46 -2.57 0.00 0.00 177.10 174.52 1jg5 n ASN 42 N 8.90 0.89 -3.93 -1.22 6.94 -1.26 -4.62 115.26 120.97 1jg5 n ASN 42 Ca 0.17 -1.21 -0.23 0.00 -0.02 0.00 0.00 54.58 53.29 1jg5 n ASN 42 Cb 0.48 -0.00 -0.08 0.00 -2.36 0.00 0.00 39.78 37.81 1jg5 n ASN 42 CO 0.00 0.00 0.00 0.72 -1.03 0.00 0.00 177.26 176.95 1jg5 s PHE 43 N -2.08 1.74 0.51 -2.53 -0.12 -1.26 -5.17 117.98 109.07 1jg5 s PHE 43 Ca 0.39 -1.38 0.08 0.00 -0.05 0.00 0.00 56.93 55.97 1jg5 s PHE 43 Cb 0.21 -1.00 0.04 0.00 -0.63 0.00 0.00 43.02 41.64 1jg5 s PHE 43 CO 0.37 -0.47 0.55 0.71 -0.05 0.00 0.00 175.22 176.33 1jg5 s TYR 44 N -3.35 1.99 -0.19 3.49 2.02 -1.26 -4.48 117.35 115.57 1jg5 s TYR 44 Ca 0.30 -0.65 -0.27 0.00 -0.37 0.00 0.00 57.07 56.07 1jg5 s TYR 44 Cb 0.03 -2.14 0.07 0.00 -0.40 0.00 0.00 41.96 39.52 1jg5 s TYR 44 CO 0.18 -0.61 0.72 -1.83 -1.57 0.00 0.00 175.55 172.44 1jg5 s GLU 45 N -4.38 0.91 -0.15 -0.62 -1.05 -0.25 -4.30 118.70 108.85 1jg5 s GLU 45 Ca 0.50 0.71 -0.05 0.00 -0.15 0.00 0.00 54.97 55.98 1jg5 s GLU 45 Cb -0.05 0.44 -0.03 0.00 -0.44 0.00 0.00 34.13 34.04 1jg5 s GLU 45 CO 0.30 -0.18 0.01 0.71 0.95 0.00 0.00 175.26 177.06 1jg5 s TYR 46 N -0.21 3.16 0.17 4.83 1.51 -0.41 -1.93 117.35 124.47 1jg5 s TYR 46 Ca -0.04 -0.02 -0.04 0.00 -1.01 0.00 0.00 57.07 55.96 1jg5 s TYR 46 Cb -0.03 -1.97 -0.03 0.00 -0.11 0.00 0.00 41.96 39.82 1jg5 s TYR 46 CO 0.04 0.17 0.17 1.52 -1.11 0.00 0.00 175.55 176.34 1jg5 s TYR 47 N 0.07 0.82 0.06 2.71 -0.85 -1.00 0.96 117.35 120.12 1jg5 s TYR 47 Ca 0.03 -1.14 -0.00 0.00 -0.52 0.00 0.00 57.07 55.44 1jg5 s TYR 47 Cb -0.13 -0.35 -0.04 0.00 0.38 0.00 0.00 41.96 41.82 1jg5 s TYR 47 CO 0.02 -0.65 -0.04 0.14 -1.52 0.00 0.00 175.55 173.49 1jg5 s VAL 48 N -4.07 0.37 -2.01 -3.49 -7.23 -0.86 -1.73 120.40 101.38 1jg5 s VAL 48 Ca 0.28 -1.78 0.13 0.00 -1.81 0.00 0.00 61.98 58.80 1jg5 s VAL 48 Cb 0.06 -1.48 0.38 0.00 0.56 0.00 0.00 36.38 35.90 1jg5 s VAL 48 CO 0.06 -0.92 1.32 0.59 -0.31 0.00 0.00 175.10 175.84 1jg5 n ASN 49 N 0.17 2.30 -4.89 4.85 3.02 -1.26 -0.98 115.26 118.47 1jg5 n ASN 49 Ca -0.14 -2.00 -0.29 0.00 -0.03 0.00 0.00 54.58 52.12 1jg5 n ASN 49 Cb 0.60 -0.29 -0.01 0.00 -0.61 0.00 0.00 39.78 39.48 1jg5 n ASN 49 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1jg5 s ASP 50 N -1.01 6.34 0.63 6.41 1.11 -1.26 -4.00 116.67 124.89 1jg5 s ASP 50 Ca 0.29 1.12 -0.13 0.00 0.18 0.00 0.00 52.55 54.01 1jg5 s ASP 50 Cb 0.15 -2.33 -0.03 0.00 1.07 0.00 0.00 42.92 41.79 1jg5 s ASP 50 CO 0.20 -0.60 1.04 -2.16 1.18 0.00 0.00 175.17 174.83 1jg5 s PRO 51 N -4.58 3.34 0.31 8.23 0.04 -1.26 -3.74 135.00 137.34 1jg5 s PRO 51 Ca 0.51 0.95 0.07 0.00 0.04 0.00 0.00 61.00 62.57 1jg5 s PRO 51 Cb -0.10 -2.04 0.88 0.00 0.04 0.00 0.00 34.50 33.27 1jg5 s PRO 51 CO 0.43 -0.78 1.63 -1.35 0.04 0.00 0.00 177.00 176.96 1jg5 h PRO 52 N -0.13 0.16 -0.79 0.56 0.11 -1.80 -2.11 132.00 127.99 1jg5 h PRO 52 Ca -0.45 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 65.66 1jg5 h PRO 52 Cb 1.20 -0.04 -0.04 0.00 0.11 0.00 0.00 31.00 32.24 1jg5 h PRO 52 CO 0.59 0.10 0.52 -0.09 -0.21 0.00 0.00 178.00 178.92 1jg5 h ARG 53 N 0.16 1.04 0.31 1.05 2.43 -1.92 0.12 114.38 117.57 1jg5 h ARG 53 Ca 0.64 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.73 1jg5 h ARG 53 Cb 1.40 -0.23 -0.00 0.00 -0.42 0.00 0.00 29.97 30.71 1jg5 h ARG 53 CO -0.71 0.69 -0.18 0.82 -1.51 0.00 0.00 179.97 179.08 1jg5 h ILE 54 N 1.07 0.63 -0.37 1.20 1.08 -1.75 -1.13 117.51 118.24 1jg5 h ILE 54 Ca 0.29 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.82 1jg5 h ILE 54 Cb -0.12 0.63 -0.05 0.00 -3.07 0.00 0.00 36.82 34.20 1jg5 h ILE 54 CO -0.06 0.00 0.04 0.58 -0.69 0.00 0.00 178.15 178.02 1jg5 h VAL 55 N -0.46 0.77 -0.97 1.67 2.07 -1.37 -1.66 116.25 116.31 1jg5 h VAL 55 Ca -0.04 -0.05 0.09 0.00 0.82 0.00 0.00 66.70 67.52 1jg5 h VAL 55 Cb 0.37 0.60 -0.08 0.00 -1.52 0.00 0.00 31.29 30.67 1jg5 h VAL 55 CO 0.05 0.03 0.61 -0.07 0.02 0.00 0.00 177.57 178.21 1jg5 h LEU 56 N 0.16 0.94 -0.54 2.57 3.38 -0.52 -1.30 115.31 119.99 1jg5 h LEU 56 Ca 0.18 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.15 1jg5 h LEU 56 Cb 0.23 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 1jg5 h LEU 56 CO -0.26 0.55 0.22 0.44 0.09 0.00 0.00 178.44 179.47 1jg5 h ASP 57 N 1.04 0.75 -0.66 -0.43 3.45 -0.33 -2.07 116.42 118.16 1jg5 h ASP 57 Ca 0.45 -0.17 -0.08 0.00 0.43 0.00 0.00 57.03 57.67 1jg5 h ASP 57 Cb 0.34 -0.19 -0.03 0.00 -0.56 0.00 0.00 39.33 38.88 1jg5 h ASP 57 CO -0.22 0.72 0.11 0.11 -1.57 0.00 0.00 179.24 178.38 1jg5 h LYS 58 N 0.74 1.10 0.00 3.56 1.57 -0.65 -2.56 116.57 120.32 1jg5 h LYS 58 Ca 0.18 -0.29 -0.06 0.00 -1.87 0.00 0.00 60.65 58.61 1jg5 h LYS 58 Cb 0.20 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 1jg5 h LYS 58 CO -0.01 1.00 -0.27 -0.07 -0.57 0.00 0.00 179.45 179.53 1jg5 h LEU 59 N 1.03 0.00 -0.52 2.94 3.38 -1.08 -2.37 115.31 118.68 1jg5 h LEU 59 Ca 0.20 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.13 1jg5 h LEU 59 Cb 0.43 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 1jg5 h LEU 59 CO 0.01 0.27 0.15 -0.08 0.09 0.00 0.00 178.44 178.88 1jg5 h GLU 60 N 0.00 0.81 -0.00 1.13 4.81 -0.96 -1.47 114.58 118.91 1jg5 h GLU 60 Ca -0.00 -0.18 0.00 0.00 -0.13 0.00 0.00 59.36 59.05 1jg5 h GLU 60 Cb 0.49 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.76 1jg5 h GLU 60 CO 0.04 0.76 0.01 0.00 -0.73 0.00 0.00 179.01 179.08 1jg5 n ARG 62 N -3.21 3.28 -0.62 0.00 5.12 -0.63 -4.94 116.66 115.66 1jg5 n ARG 62 Ca -0.03 -2.64 0.00 0.00 -1.93 0.00 0.00 57.85 53.25 1jg5 n ARG 62 Cb 0.08 -1.76 0.00 0.00 -1.16 0.00 0.00 32.46 29.62 1jg5 n ARG 62 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1jg5 n GLY 63 N 1.27 0.80 3.80 -0.13 0.00 -0.34 -5.05 105.19 105.54 1jg5 n GLY 63 Ca 0.24 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.87 1jg5 n GLY 63 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1jg5 s PHE 64 N -3.10 3.77 0.08 1.61 0.08 -0.75 -4.50 117.98 115.16 1jg5 s PHE 64 Ca 0.00 1.22 0.04 0.00 0.12 0.00 0.00 56.93 58.32 1jg5 s PHE 64 Cb 0.00 -2.49 -0.03 0.00 -0.57 0.00 0.00 43.02 39.92 1jg5 s PHE 64 CO 0.00 0.54 -0.12 -0.98 -0.10 0.00 0.00 175.22 174.56 1jg5 s ARG 65 N -0.91 0.79 0.00 0.44 1.70 -0.30 -3.79 118.95 116.89 1jg5 s ARG 65 Ca 0.29 -0.99 -0.30 0.00 -0.47 0.00 0.00 55.73 54.26 1jg5 s ARG 65 Cb -0.19 -0.69 -0.05 0.00 -0.57 0.00 0.00 34.95 33.46 1jg5 s ARG 65 CO 0.18 0.14 1.25 0.08 -1.08 0.00 0.00 175.30 175.87 1jg5 s VAL 66 N -1.59 4.02 -0.20 4.99 1.01 -1.26 -1.10 120.40 126.27 1jg5 s VAL 66 Ca -0.01 1.40 0.03 0.00 0.00 0.00 0.00 61.98 63.40 1jg5 s VAL 66 Cb -0.08 -3.90 -0.14 0.00 0.00 0.00 0.00 36.38 32.26 1jg5 s VAL 66 CO 0.02 0.04 -0.16 0.18 0.00 0.00 0.00 175.10 175.17 1jg5 n LEU 67 N 4.78 2.71 -3.65 3.92 4.77 0.29 -4.95 117.00 124.87 1jg5 n LEU 67 Ca 0.11 -0.10 -0.12 0.00 -0.03 0.00 0.00 56.01 55.87 1jg5 n LEU 67 Cb 0.45 -0.62 -0.06 0.00 -2.33 0.00 0.00 43.42 40.87 1jg5 n LEU 67 CO 0.56 0.81 0.15 -0.55 -1.33 0.00 0.00 177.39 177.03 1jg5 s SER 68 N -5.91 -0.25 -0.06 -1.43 0.15 -1.13 -5.01 113.70 100.06 1jg5 s SER 68 Ca -0.26 -0.16 -0.05 0.00 0.70 0.00 0.00 55.95 56.18 1jg5 s SER 68 Cb 0.07 0.45 0.02 0.00 -1.71 0.00 0.00 66.02 64.85 1jg5 s SER 68 CO 0.49 -0.75 0.16 -0.32 1.20 0.00 0.00 173.24 174.02 1jg5 s MET 69 N -3.13 0.16 0.14 5.44 1.75 -1.26 -0.35 119.30 122.05 1jg5 s MET 69 Ca -0.01 0.26 -0.13 0.00 -1.25 0.00 0.00 55.69 54.56 1jg5 s MET 69 Cb 0.01 0.02 0.01 0.00 2.84 0.00 0.00 34.83 37.71 1jg5 s MET 69 CO -0.07 -0.06 0.34 -0.08 -0.65 0.00 0.00 175.02 174.50 1jg5 s THR 70 N 0.37 0.08 0.06 10.11 -1.32 0.22 -4.99 115.64 120.17 1jg5 s THR 70 Ca -0.02 -0.94 0.06 0.00 -1.21 0.00 0.00 61.69 59.57 1jg5 s THR 70 Cb -0.04 -1.43 -0.04 0.00 -1.51 0.00 0.00 72.50 69.48 1jg5 s THR 70 CO -0.02 -0.36 -0.09 -0.83 -2.21 0.00 0.00 174.62 171.11 1jg5 s GLY 71 N -2.87 1.75 -0.14 6.08 0.00 -1.26 -0.35 107.32 110.54 1jg5 s GLY 71 Ca 0.08 -1.15 -0.04 0.00 0.00 0.00 0.00 44.72 43.60 1jg5 s GLY 71 CO -0.07 -1.08 0.25 0.54 0.00 0.00 0.00 173.10 172.74 1jg5 s VAL 72 N -1.10 -0.39 0.00 1.40 0.11 0.57 -4.99 120.40 116.00 1jg5 s VAL 72 Ca 0.19 0.21 0.00 0.00 -2.93 0.00 0.00 61.98 59.45 1jg5 s VAL 72 Cb -0.11 -0.48 0.00 0.00 -1.53 0.00 0.00 36.38 34.26 1jg5 s VAL 72 CO 0.11 0.05 0.00 0.61 -3.33 0.00 0.00 175.10 172.54 1jg5 n GLY 73 N 5.34 3.23 1.09 6.54 0.00 -1.26 -0.58 105.19 119.55 1jg5 n GLY 73 Ca -0.06 -0.15 0.08 0.00 0.00 0.00 0.00 46.02 45.90 1jg5 n GLY 73 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1jg5 n GLN 74 N 13.37 3.32 -4.48 1.61 1.13 -1.26 -4.98 117.38 126.09 1jg5 n GLN 74 Ca 0.00 -2.76 -0.34 0.00 -1.94 0.00 0.00 57.00 51.96 1jg5 n GLN 74 Cb 0.00 -1.82 -0.11 0.00 0.11 0.00 0.00 30.24 28.42 1jg5 n GLN 74 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 1jg5 s THR 75 N -2.38 3.89 -0.18 5.09 2.01 0.25 -1.32 115.64 123.01 1jg5 s THR 75 Ca 0.42 -0.38 -0.09 0.00 0.31 0.00 0.00 61.69 61.95 1jg5 s THR 75 Cb 0.31 -2.65 -0.05 0.00 0.01 0.00 0.00 72.50 70.13 1jg5 s THR 75 CO 0.13 0.55 0.12 -0.76 -0.69 0.00 0.00 174.62 173.97 1jg5 s LEU 76 N -0.24 4.15 -0.05 4.42 1.43 0.77 -0.32 118.68 128.85 1jg5 s LEU 76 Ca 0.04 0.24 0.03 0.00 -1.03 0.00 0.00 54.13 53.41 1jg5 s LEU 76 Cb -0.13 -2.06 0.00 0.00 0.03 0.00 0.00 46.19 44.04 1jg5 s LEU 76 CO 0.02 0.22 -0.14 -0.69 0.23 0.00 0.00 176.35 176.00 1jg5 s VAL 77 N 0.09 1.20 0.04 -1.59 1.01 0.53 -1.92 120.40 119.75 1jg5 s VAL 77 Ca 0.08 -0.56 0.06 0.00 0.00 0.00 0.00 61.98 61.57 1jg5 s VAL 77 Cb -0.11 -1.06 -0.03 0.00 0.00 0.00 0.00 36.38 35.17 1jg5 s VAL 77 CO -0.00 0.36 -0.15 0.26 0.00 0.00 0.00 175.10 175.57 1jg5 s TRP 78 N 0.33 2.64 -0.19 5.22 0.51 -0.80 -0.61 118.94 126.05 1jg5 s TRP 78 Ca -0.08 -0.20 0.01 0.00 -2.12 0.00 0.00 56.10 53.71 1jg5 s TRP 78 Cb -0.13 -1.49 0.03 0.00 -0.81 0.00 0.00 33.47 31.07 1jg5 s TRP 78 CO 0.03 0.29 -0.16 0.00 -0.51 0.00 0.00 176.95 176.60 1jg5 s LEU 80 N 1.31 3.11 0.21 0.00 1.02 -0.58 -0.55 118.68 123.20 1jg5 s LEU 80 Ca 0.02 -0.50 0.04 0.00 0.02 0.00 0.00 54.13 53.71 1jg5 s LEU 80 Cb -0.15 -1.79 -0.05 0.00 0.02 0.00 0.00 46.19 44.23 1jg5 s LEU 80 CO -0.10 0.10 -0.04 -2.28 0.02 0.00 0.00 176.35 174.04 1jg5 s HIS 81 N -1.69 1.51 -0.17 0.29 2.46 -0.26 -0.72 115.29 116.71 1jg5 s HIS 81 Ca 0.26 -0.84 -0.15 0.00 0.47 0.00 0.00 55.06 54.80 1jg5 s HIS 81 Cb -0.09 -0.84 0.05 0.00 -0.13 0.00 0.00 32.58 31.57 1jg5 s HIS 81 CO 0.16 0.04 0.45 0.21 -2.47 0.00 0.00 174.74 173.14 1jg5 s LYS 82 N -3.81 0.51 0.00 2.88 2.20 -0.93 -1.15 119.74 119.44 1jg5 s LYS 82 Ca 0.25 0.67 0.00 0.00 -0.36 0.00 0.00 55.97 56.52 1jg5 s LYS 82 Cb 0.04 0.21 0.00 0.00 -1.51 0.00 0.00 37.83 36.57 1jg5 s LYS 82 CO 0.06 -0.08 0.35 0.39 -0.36 0.00 0.00 175.35 175.72