#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 2.83 -0.10 0.54 2.02 -1.26 -1.96 117.35 119.42 1jg5 s TYR 2 Ca 0.00 -0.38 -0.06 0.00 -0.37 0.00 0.00 57.07 56.26 1jg5 s TYR 2 Cb 0.00 -1.98 0.04 0.00 -0.40 0.00 0.00 41.96 39.61 1jg5 s TYR 2 CO 0.00 0.02 0.24 -1.17 -1.57 0.00 0.00 175.55 173.07 1jg5 s LEU 3 N -4.08 0.63 -0.19 -1.29 2.96 -0.17 -4.97 118.68 111.58 1jg5 s LEU 3 Ca 0.45 0.50 -0.00 0.00 -0.22 0.00 0.00 54.13 54.86 1jg5 s LEU 3 Cb -0.05 0.74 0.01 0.00 0.50 0.00 0.00 46.19 47.39 1jg5 s LEU 3 CO 0.28 -0.14 -0.16 -0.76 -1.32 0.00 0.00 176.35 174.24 1jg5 s LEU 4 N 0.91 2.32 0.16 -0.68 1.43 -1.26 -0.69 118.68 120.88 1jg5 s LEU 4 Ca -0.06 -0.58 0.08 0.00 -1.03 0.00 0.00 54.13 52.54 1jg5 s LEU 4 Cb -0.08 -1.54 -0.04 0.00 0.03 0.00 0.00 46.19 44.56 1jg5 s LEU 4 CO -0.06 0.00 -0.18 0.27 0.23 0.00 0.00 176.35 176.62 1jg5 s ILE 5 N 1.28 1.77 0.27 -0.59 -4.36 -0.78 -4.31 121.20 114.48 1jg5 s ILE 5 Ca 0.04 -1.90 -0.09 0.00 -0.26 0.00 0.00 60.65 58.43 1jg5 s ILE 5 Cb -0.14 -1.82 -0.00 0.00 1.25 0.00 0.00 42.46 41.75 1jg5 s ILE 5 CO -0.09 -0.33 0.45 -0.94 0.24 0.00 0.00 174.94 174.27 1jg5 s SER 6 N -2.66 0.17 -0.05 4.36 1.04 -0.35 -1.11 113.70 115.09 1jg5 s SER 6 Ca 0.15 -1.11 -0.29 0.00 0.48 0.00 0.00 55.95 55.17 1jg5 s SER 6 Cb -0.05 0.59 0.09 0.00 0.10 0.00 0.00 66.02 66.75 1jg5 s SER 6 CO 0.06 -1.17 0.79 0.28 0.98 0.00 0.00 173.24 174.18 1jg5 s THR 7 N -3.75 0.00 0.15 2.02 -1.32 -0.76 -0.78 115.64 111.21 1jg5 s THR 7 Ca 0.26 0.00 -0.11 0.00 -1.21 0.00 0.00 61.69 60.63 1jg5 s THR 7 Cb 0.00 -1.00 -0.07 0.00 -1.51 0.00 0.00 72.50 69.93 1jg5 s THR 7 CO 0.12 0.00 0.49 -1.10 -2.21 0.00 0.00 174.62 171.92 1jg5 s GLN 8 N -1.76 3.83 0.59 7.08 -1.52 -1.26 0.38 119.66 126.99 1jg5 s GLN 8 Ca -0.05 0.27 -0.18 0.00 -1.95 0.00 0.00 55.36 53.46 1jg5 s GLN 8 Cb -0.00 -2.86 -0.04 0.00 -0.22 0.00 0.00 33.01 29.89 1jg5 s GLN 8 CO 0.02 0.45 1.15 0.96 -0.25 0.00 0.00 175.29 177.63 1jg5 s ILE 9 N -1.57 2.97 0.50 1.08 -4.36 -0.41 -4.20 121.20 115.21 1jg5 s ILE 9 Ca 0.39 0.57 -0.21 0.00 -0.26 0.00 0.00 60.65 61.14 1jg5 s ILE 9 Cb -0.13 -3.18 -0.07 0.00 1.25 0.00 0.00 42.46 40.33 1jg5 s ILE 9 CO 0.20 -0.17 1.15 -0.13 0.24 0.00 0.00 174.94 176.23 1jg5 s ARG 10 N -3.48 3.57 0.00 0.37 1.81 -1.26 -5.04 118.95 114.92 1jg5 s ARG 10 Ca 0.73 1.70 0.27 0.00 -1.72 0.00 0.00 55.73 56.71 1jg5 s ARG 10 Cb -0.25 -2.22 0.91 0.00 -0.45 0.00 0.00 34.95 32.94 1jg5 s ARG 10 CO 0.32 -0.69 1.69 0.00 -0.68 0.00 0.00 175.30 175.95 1jg5 n MET 11 N -0.86 0.06 0.20 3.54 0.00 -1.26 -3.87 117.12 114.92 1jg5 n MET 11 Ca 0.09 -0.02 0.14 0.00 0.00 0.00 0.00 57.70 57.91 1jg5 n MET 11 Cb 0.49 -1.50 0.44 0.00 0.00 0.00 0.00 33.22 32.66 1jg5 n MET 11 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 175.97 176.90 1jg5 h GLU 12 N 0.05 0.00 -5.41 3.17 3.07 -1.99 -3.37 114.58 110.10 1jg5 h GLU 12 Ca 0.00 0.00 -0.48 0.00 -0.50 0.00 0.00 59.36 58.38 1jg5 h GLU 12 Cb 0.49 0.00 -0.14 0.00 -0.84 0.00 0.00 28.75 28.26 1jg5 h GLU 12 CO 0.00 0.00 -0.66 0.14 -1.40 0.00 0.00 179.01 177.09 1jg5 s VAL 13 N -3.35 1.50 0.00 3.13 -7.23 -1.25 -4.72 120.40 108.47 1jg5 s VAL 13 Ca 0.05 -2.08 0.00 0.00 -1.81 0.00 0.00 61.98 58.14 1jg5 s VAL 13 Cb 0.09 -2.53 0.00 0.00 0.56 0.00 0.00 36.38 34.50 1jg5 s VAL 13 CO 0.56 -0.23 0.00 0.61 -0.31 0.00 0.00 175.10 175.73 1jg5 n GLY 14 N -0.60 0.48 3.85 2.32 0.00 -1.24 -4.66 105.19 105.35 1jg5 n GLY 14 Ca -0.05 -1.86 -0.30 0.00 0.00 0.00 0.00 46.02 43.81 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 -0.42 2.17 -0.16 1.61 0.04 -1.26 -4.99 135.00 131.99 1jg5 s PRO 15 Ca 0.00 0.39 0.00 0.00 0.04 0.00 0.00 61.00 61.43 1jg5 s PRO 15 Cb 0.00 -1.95 0.03 0.00 0.04 0.00 0.00 34.50 32.62 1jg5 s PRO 15 CO 0.00 -1.51 -0.13 0.99 0.04 0.00 0.00 177.00 176.40 1jg5 s THR 16 N -3.35 1.54 0.16 1.26 2.01 0.06 -4.60 115.64 112.72 1jg5 s THR 16 Ca 0.61 -0.69 -0.30 0.00 0.31 0.00 0.00 61.69 61.61 1jg5 s THR 16 Cb -0.12 -1.49 -0.08 0.00 0.01 0.00 0.00 72.50 70.81 1jg5 s THR 16 CO 0.52 0.38 1.26 -0.04 -0.69 0.00 0.00 174.62 176.05 1jg5 s MET 17 N 1.49 4.42 -0.00 4.92 -1.94 0.04 -1.87 119.30 126.37 1jg5 s MET 17 Ca 0.04 1.95 0.00 0.00 -1.71 0.00 0.00 55.69 55.97 1jg5 s MET 17 Cb -0.14 -3.24 0.00 0.00 2.01 0.00 0.00 34.83 33.47 1jg5 s MET 17 CO -0.10 -0.21 0.75 1.33 -0.01 0.00 0.00 175.02 176.78 1jg5 n VAL 18 N 2.92 0.50 0.00 -6.03 0.24 -0.48 -1.21 118.33 114.26 1jg5 n VAL 18 Ca 0.06 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 61.86 1jg5 n VAL 18 Cb 0.44 0.74 0.00 0.00 -1.47 0.00 0.00 33.84 33.55 1jg5 n VAL 18 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1jg5 n GLY 19 N -0.25 0.72 4.01 7.63 0.00 -1.23 -4.83 105.19 111.24 1jg5 n GLY 19 Ca 0.00 -0.60 -0.21 0.00 0.00 0.00 0.00 46.02 45.21 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 4.75 0.00 1.61 -4.77 -1.26 -1.47 116.67 115.54 1jg5 s ASP 20 Ca 0.00 -0.56 0.12 0.00 -3.30 0.00 0.00 52.55 48.81 1jg5 s ASP 20 Cb 0.00 0.06 0.58 0.00 -1.09 0.00 0.00 42.92 42.48 1jg5 s ASP 20 CO 0.00 -1.57 1.34 -1.84 0.70 0.00 0.00 175.17 173.80 1jg5 n GLU 21 N -2.52 0.10 -0.26 2.11 0.28 -1.24 -2.01 120.64 117.10 1jg5 n GLU 21 Ca 0.15 0.22 0.09 0.00 -0.16 0.00 0.00 57.16 57.46 1jg5 n GLU 21 Cb 0.61 -1.50 0.23 0.00 1.43 0.00 0.00 31.44 32.21 1jg5 n GLU 21 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 1jg5 n HIS 22 N -1.37 0.68 -1.40 -1.84 8.25 -1.26 -5.01 115.22 113.27 1jg5 n HIS 22 Ca 0.05 -0.44 -0.34 0.00 -0.26 0.00 0.00 57.72 56.73 1jg5 n HIS 22 Cb 0.12 -0.01 0.10 0.00 1.12 0.00 0.00 29.99 31.31 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 -1.07 4.16 -0.15 0.41 0.01 -0.85 -4.89 113.70 111.32 1jg5 s SER 23 Ca 0.37 2.33 -0.29 0.00 1.31 0.00 0.00 55.95 59.66 1jg5 s SER 23 Cb 0.20 -2.59 -0.05 0.00 0.21 0.00 0.00 66.02 63.79 1jg5 s SER 23 CO 0.26 -2.28 1.89 -0.62 0.41 0.00 0.00 173.24 172.90 1jg5 s ASP 24 N -2.11 6.13 0.50 2.44 3.68 -1.26 -4.88 116.67 121.17 1jg5 s ASP 24 Ca 0.73 2.00 0.21 0.00 2.13 0.00 0.00 52.55 57.62 1jg5 s ASP 24 Cb -0.28 -2.53 1.30 0.00 -1.45 0.00 0.00 42.92 39.96 1jg5 s ASP 24 CO 0.46 -1.41 2.08 1.55 0.13 0.00 0.00 175.17 177.98 1jg5 h PRO 25 N 11.96 0.00 -0.24 4.34 0.13 -1.98 -2.45 132.00 143.76 1jg5 h PRO 25 Ca -0.40 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.66 1jg5 h PRO 25 Cb 1.20 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 1jg5 h PRO 25 CO 0.97 0.12 -0.10 1.49 -0.23 0.00 0.00 178.00 180.25 1jg5 h GLU 26 N 0.00 0.50 -0.25 0.86 4.81 -1.99 -1.89 114.58 116.62 1jg5 h GLU 26 Ca -0.00 -0.21 -0.03 0.00 -0.13 0.00 0.00 59.36 58.99 1jg5 h GLU 26 Cb 0.24 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.59 1jg5 h GLU 26 CO 0.02 0.75 0.04 1.25 -0.73 0.00 0.00 179.01 180.33 1jg5 h LEU 27 N 0.22 0.40 -1.57 1.64 5.85 -1.94 -1.61 115.31 118.31 1jg5 h LEU 27 Ca 0.06 -0.26 0.07 0.00 0.84 0.00 0.00 57.88 58.59 1jg5 h LEU 27 Cb 0.59 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.47 1jg5 h LEU 27 CO 0.03 0.55 0.39 0.24 -0.34 0.00 0.00 178.44 179.31 1jg5 h MET 28 N 0.23 0.51 -0.15 1.25 2.86 -1.41 -0.79 114.93 117.42 1jg5 h MET 28 Ca 0.08 -0.03 -0.18 0.00 -2.06 0.00 0.00 59.70 57.51 1jg5 h MET 28 Cb 0.32 -0.11 -0.00 0.00 0.06 0.00 0.00 31.60 31.87 1jg5 h MET 28 CO 0.00 0.34 -0.65 0.37 1.06 0.00 0.00 176.91 178.03 1jg5 h GLN 29 N 0.52 0.57 0.00 1.72 4.15 -1.04 0.59 115.11 121.62 1jg5 h GLN 29 Ca 0.26 -0.41 -0.06 0.00 0.77 0.00 0.00 58.65 59.21 1jg5 h GLN 29 Cb 0.34 0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.09 1jg5 h GLN 29 CO -0.07 1.03 -0.29 1.96 -1.93 0.00 0.00 178.83 179.53 1jg5 h GLN 30 N 0.41 0.00 0.00 1.69 4.20 -0.19 -2.33 115.11 118.89 1jg5 h GLN 30 Ca -0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.70 1jg5 h GLN 30 Cb 1.22 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.00 1jg5 h GLN 30 CO 0.12 0.29 -0.35 1.28 -0.67 0.00 0.00 178.83 179.50 1jg5 n LEU 31 N -3.53 0.62 -0.06 1.46 4.77 -0.56 -4.93 117.00 114.77 1jg5 n LEU 31 Ca -0.00 0.33 -0.01 0.00 -0.03 0.00 0.00 56.01 56.30 1jg5 n LEU 31 Cb 0.44 -0.27 -0.00 0.00 -2.33 0.00 0.00 43.42 41.26 1jg5 n LEU 31 CO 0.35 -0.06 -0.01 0.61 -1.33 0.00 0.00 177.39 176.95 1jg5 n GLY 32 N 1.37 0.35 3.84 -0.72 0.00 -0.88 -4.97 105.19 104.19 1jg5 n GLY 32 Ca 0.05 -0.88 -0.32 0.00 0.00 0.00 0.00 46.02 44.87 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 -2.03 2.91 0.04 4.61 0.00 0.15 -4.80 121.76 122.65 1jg5 s ALA 33 Ca 0.00 0.10 0.04 0.00 0.00 0.00 0.00 51.96 52.10 1jg5 s ALA 33 Cb 0.00 -3.14 -0.02 0.00 0.00 0.00 0.00 23.12 19.96 1jg5 s ALA 33 CO 0.00 -0.77 -0.13 -1.12 0.00 0.00 0.00 175.76 173.74 1jg5 s SER 34 N -3.60 1.52 0.02 0.00 0.01 -0.55 -4.78 113.70 106.32 1jg5 s SER 34 Ca 0.58 -0.45 -0.11 0.00 1.31 0.00 0.00 55.95 57.28 1jg5 s SER 34 Cb -0.12 -0.09 -0.05 0.00 0.21 0.00 0.00 66.02 65.96 1jg5 s SER 34 CO 0.47 0.01 0.37 -0.75 0.41 0.00 0.00 173.24 173.74 1jg5 s LYS 35 N -1.14 3.78 0.25 12.44 2.20 -1.26 -1.82 119.74 134.20 1jg5 s LYS 35 Ca 0.00 0.23 -0.16 0.00 -0.36 0.00 0.00 55.97 55.68 1jg5 s LYS 35 Cb -0.08 -3.12 0.01 0.00 -1.51 0.00 0.00 37.83 33.13 1jg5 s LYS 35 CO 0.01 0.65 0.57 -0.98 -0.36 0.00 0.00 175.35 175.24 1jg5 s ARG 36 N -1.45 1.62 -0.21 4.03 1.70 -0.99 -4.99 118.95 118.65 1jg5 s ARG 36 Ca 0.27 -1.11 -0.02 0.00 -0.47 0.00 0.00 55.73 54.40 1jg5 s ARG 36 Cb -0.15 0.53 0.06 0.00 -0.57 0.00 0.00 34.95 34.82 1jg5 s ARG 36 CO 0.14 -0.70 0.03 0.50 -1.08 0.00 0.00 175.30 174.20 1jg5 s ARG 37 N -3.96 0.74 0.56 3.89 3.52 -1.26 -2.16 118.95 120.26 1jg5 s ARG 37 Ca 0.17 -0.53 -0.20 0.00 -0.13 0.00 0.00 55.73 55.04 1jg5 s ARG 37 Cb -0.03 -2.13 -0.05 0.00 -1.56 0.00 0.00 34.95 31.18 1jg5 s ARG 37 CO 0.07 -0.67 1.18 0.08 -0.81 0.00 0.00 175.30 175.15 1jg5 s VAL 38 N 1.80 2.86 0.11 7.11 1.01 -1.26 -4.92 120.40 127.11 1jg5 s VAL 38 Ca -0.00 0.55 -0.33 0.00 0.00 0.00 0.00 61.98 62.20 1jg5 s VAL 38 Cb -0.17 -3.23 -0.12 0.00 0.00 0.00 0.00 36.38 32.85 1jg5 s VAL 38 CO -0.10 -0.10 1.75 -0.11 0.00 0.00 0.00 175.10 176.55 1jg5 n LEU 39 N -1.32 3.65 0.00 3.92 7.94 -1.26 -1.95 117.00 127.98 1jg5 n LEU 39 Ca 0.12 1.02 0.00 0.00 -1.11 0.00 0.00 56.01 56.04 1jg5 n LEU 39 Cb 0.50 -1.48 0.00 0.00 0.53 0.00 0.00 43.42 42.96 1jg5 n LEU 39 CO 0.44 -0.00 0.00 0.61 -1.11 0.00 0.00 177.39 177.33 1jg5 n GLY 40 N 3.97 0.16 3.71 -3.96 0.00 -1.26 -5.07 105.19 102.73 1jg5 n GLY 40 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.26 5.47 -0.46 1.61 0.02 -0.82 -5.00 114.94 113.50 1jg5 s ASN 41 Ca 0.00 0.19 0.04 0.00 -1.02 0.00 0.00 52.86 52.07 1jg5 s ASN 41 Cb 0.00 -1.64 0.63 0.00 0.02 0.00 0.00 41.25 40.25 1jg5 s ASN 41 CO 0.00 0.36 1.87 0.59 0.02 0.00 0.00 177.10 179.94 1jg5 n ASN 42 N 2.30 4.05 -3.72 -1.22 3.02 -1.26 -4.82 115.26 113.61 1jg5 n ASN 42 Ca -0.19 -3.65 -0.11 0.00 -0.03 0.00 0.00 54.58 50.60 1jg5 n ASN 42 Cb 0.54 -0.83 -0.06 0.00 -0.61 0.00 0.00 39.78 38.82 1jg5 n ASN 42 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 1jg5 s PHE 43 N -3.36 -0.11 0.36 3.10 -0.12 -1.26 -5.18 117.98 111.41 1jg5 s PHE 43 Ca 0.56 -0.13 0.01 0.00 -0.05 0.00 0.00 56.93 57.33 1jg5 s PHE 43 Cb 0.47 0.14 -0.02 0.00 -0.63 0.00 0.00 43.02 42.98 1jg5 s PHE 43 CO 0.08 -0.59 0.56 0.71 -0.05 0.00 0.00 175.22 175.93 1jg5 s TYR 44 N -3.21 3.40 -0.01 3.49 2.02 -1.26 -4.63 117.35 117.15 1jg5 s TYR 44 Ca -0.00 0.24 -0.07 0.00 -0.37 0.00 0.00 57.07 56.87 1jg5 s TYR 44 Cb 0.01 -1.97 0.00 0.00 -0.40 0.00 0.00 41.96 39.60 1jg5 s TYR 44 CO -0.08 0.02 0.14 -1.83 -1.57 0.00 0.00 175.55 172.24 1jg5 s GLU 45 N -4.33 0.45 -0.05 -0.62 -1.05 -0.92 -3.61 118.70 108.56 1jg5 s GLU 45 Ca 0.42 -0.30 -0.04 0.00 -0.15 0.00 0.00 54.97 54.90 1jg5 s GLU 45 Cb -0.10 0.19 -0.04 0.00 -0.44 0.00 0.00 34.13 33.74 1jg5 s GLU 45 CO 0.35 -0.10 0.13 0.71 0.95 0.00 0.00 175.26 177.31 1jg5 s TYR 46 N -1.17 3.48 0.08 4.83 1.51 -0.54 -2.36 117.35 123.18 1jg5 s TYR 46 Ca -0.13 0.37 -0.16 0.00 -1.01 0.00 0.00 57.07 56.14 1jg5 s TYR 46 Cb -0.07 -1.84 0.03 0.00 -0.11 0.00 0.00 41.96 39.97 1jg5 s TYR 46 CO 0.01 0.64 0.38 1.52 -1.11 0.00 0.00 175.55 176.99 1jg5 s TYR 47 N -1.17 -0.19 0.23 2.71 -0.85 -0.76 -1.38 117.35 115.95 1jg5 s TYR 47 Ca 0.21 0.01 0.07 0.00 -0.52 0.00 0.00 57.07 56.84 1jg5 s TYR 47 Cb -0.12 0.19 -0.05 0.00 0.38 0.00 0.00 41.96 42.36 1jg5 s TYR 47 CO 0.12 -0.61 -0.10 0.14 -1.52 0.00 0.00 175.55 173.58 1jg5 s VAL 48 N -3.07 1.66 -1.02 -3.49 -7.23 -0.78 -1.48 120.40 104.99 1jg5 s VAL 48 Ca -0.01 -2.17 0.25 0.00 -1.81 0.00 0.00 61.98 58.23 1jg5 s VAL 48 Cb 0.01 -2.21 0.01 0.00 0.56 0.00 0.00 36.38 34.75 1jg5 s VAL 48 CO -0.07 -0.47 1.41 0.59 -0.31 0.00 0.00 175.10 176.25 1jg5 n ASN 49 N -0.46 0.52 -4.78 4.85 5.03 -1.26 -0.76 115.26 118.40 1jg5 n ASN 49 Ca -0.07 -0.28 -0.35 0.00 0.87 0.00 0.00 54.58 54.75 1jg5 n ASN 49 Cb 0.62 0.26 -0.01 0.00 -1.02 0.00 0.00 39.78 39.62 1jg5 n ASN 49 CO 0.00 0.00 0.00 -1.81 -1.83 0.00 0.00 177.26 173.62 1jg5 s ASP 50 N -2.99 6.07 0.65 6.41 1.11 -1.26 -3.65 116.67 123.01 1jg5 s ASP 50 Ca 0.11 2.15 -0.14 0.00 0.18 0.00 0.00 52.55 54.84 1jg5 s ASP 50 Cb 0.18 -2.58 -0.01 0.00 1.07 0.00 0.00 42.92 41.58 1jg5 s ASP 50 CO 0.70 -0.98 1.08 -2.16 1.18 0.00 0.00 175.17 174.99 1jg5 s PRO 51 N -3.05 2.95 0.30 8.23 0.04 -1.26 -3.90 135.00 138.31 1jg5 s PRO 51 Ca 0.68 1.26 0.01 0.00 0.04 0.00 0.00 61.00 62.99 1jg5 s PRO 51 Cb -0.23 -1.98 0.72 0.00 0.04 0.00 0.00 34.50 33.04 1jg5 s PRO 51 CO 0.27 -1.12 1.59 -1.35 0.04 0.00 0.00 177.00 176.43 1jg5 h PRO 52 N 0.00 0.04 -0.41 0.56 0.11 -1.83 -2.12 132.00 128.36 1jg5 h PRO 52 Ca -0.46 -0.00 0.04 0.00 0.11 0.00 0.00 66.00 65.68 1jg5 h PRO 52 Cb 1.23 -0.01 -0.04 0.00 0.11 0.00 0.00 31.00 32.30 1jg5 h PRO 52 CO 0.55 0.03 0.18 -0.09 -0.21 0.00 0.00 178.00 178.46 1jg5 h ARG 53 N 0.04 0.36 -0.56 1.05 2.43 -1.92 -0.33 114.38 115.44 1jg5 h ARG 53 Ca 0.57 -0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.74 1jg5 h ARG 53 Cb 1.17 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 30.60 1jg5 h ARG 53 CO -0.86 0.24 0.36 0.82 -1.51 0.00 0.00 179.97 179.01 1jg5 h ILE 54 N 0.37 1.10 -0.67 1.20 5.03 -1.75 -1.59 117.51 121.20 1jg5 h ILE 54 Ca 0.18 -0.25 -0.06 0.00 -0.12 0.00 0.00 64.86 64.61 1jg5 h ILE 54 Cb 0.12 0.32 -0.03 0.00 -3.03 0.00 0.00 36.82 34.20 1jg5 h ILE 54 CO -0.15 0.13 0.18 0.58 -0.68 0.00 0.00 178.15 178.22 1jg5 h VAL 55 N 0.72 1.25 -0.54 1.67 2.07 -1.22 -1.81 116.25 118.38 1jg5 h VAL 55 Ca 0.22 -0.90 -0.06 0.00 0.82 0.00 0.00 66.70 66.78 1jg5 h VAL 55 Cb -0.03 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 30.26 1jg5 h VAL 55 CO -0.07 0.35 0.10 -0.07 0.02 0.00 0.00 177.57 177.89 1jg5 h LEU 56 N 1.00 0.85 -0.91 2.57 3.38 -0.71 -1.44 115.31 120.05 1jg5 h LEU 56 Ca 0.21 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 1jg5 h LEU 56 Cb 0.32 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.80 1jg5 h LEU 56 CO -0.00 0.89 0.53 0.44 0.09 0.00 0.00 178.44 180.38 1jg5 h ASP 57 N 0.78 1.11 -0.34 -0.43 3.45 -1.03 -0.27 116.42 119.70 1jg5 h ASP 57 Ca 0.17 -0.08 -0.04 0.00 0.43 0.00 0.00 57.03 57.51 1jg5 h ASP 57 Cb 0.39 -0.28 -0.01 0.00 -0.56 0.00 0.00 39.33 38.86 1jg5 h ASP 57 CO 0.01 0.87 0.07 0.11 -1.57 0.00 0.00 179.24 178.73 1jg5 h LYS 58 N 1.26 0.55 -0.28 3.56 1.57 -0.99 -2.91 116.57 119.33 1jg5 h LYS 58 Ca 0.32 -0.14 -0.05 0.00 -1.87 0.00 0.00 60.65 58.91 1jg5 h LYS 58 Cb -0.02 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 1jg5 h LYS 58 CO -0.06 0.61 -0.06 -0.07 -0.57 0.00 0.00 179.45 179.31 1jg5 h LEU 59 N 0.39 0.42 -1.26 2.94 3.38 -0.98 -1.97 115.31 118.23 1jg5 h LEU 59 Ca 0.11 -0.09 0.02 0.00 0.09 0.00 0.00 57.88 58.01 1jg5 h LEU 59 Cb 0.32 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.91 1jg5 h LEU 59 CO 0.00 0.53 0.51 -0.08 0.09 0.00 0.00 178.44 179.49 1jg5 h GLU 60 N 0.42 0.97 0.00 1.13 4.81 -0.86 0.46 114.58 121.51 1jg5 h GLU 60 Ca 0.09 -0.06 -0.07 0.00 -0.13 0.00 0.00 59.36 59.18 1jg5 h GLU 60 Cb 0.37 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 1jg5 h GLU 60 CO 0.02 0.64 -0.36 0.00 -0.73 0.00 0.00 179.01 178.58 1jg5 n ARG 62 N -3.90 1.22 0.00 0.00 5.12 0.01 -4.90 116.66 114.21 1jg5 n ARG 62 Ca -0.01 -0.39 0.00 0.00 -1.93 0.00 0.00 57.85 55.52 1jg5 n ARG 62 Cb 0.42 -1.49 0.00 0.00 -1.16 0.00 0.00 32.46 30.23 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 1.10 0.70 3.89 -0.13 0.00 -0.76 -5.07 105.19 104.92 1jg5 n GLY 63 Ca 0.21 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.00 3.47 -0.02 1.61 0.08 -0.39 -4.53 117.98 116.20 1jg5 s PHE 64 Ca 0.00 0.81 -0.03 0.00 0.12 0.00 0.00 56.93 57.83 1jg5 s PHE 64 Cb 0.00 -2.24 0.01 0.00 -0.57 0.00 0.00 43.02 40.21 1jg5 s PHE 64 CO 0.00 0.06 0.07 -0.98 -0.10 0.00 0.00 175.22 174.27 1jg5 s ARG 65 N -3.67 0.13 -0.04 0.44 1.70 -0.73 -3.95 118.95 112.82 1jg5 s ARG 65 Ca 0.47 0.03 -0.30 0.00 -0.47 0.00 0.00 55.73 55.46 1jg5 s ARG 65 Cb -0.11 0.06 -0.05 0.00 -0.57 0.00 0.00 34.95 34.29 1jg5 s ARG 65 CO 0.30 -0.02 1.37 0.08 -1.08 0.00 0.00 175.30 175.95 1jg5 s VAL 66 N -0.14 3.87 -0.21 4.99 1.01 -1.26 -1.34 120.40 127.32 1jg5 s VAL 66 Ca -0.02 1.21 -0.05 0.00 0.00 0.00 0.00 61.98 63.12 1jg5 s VAL 66 Cb -0.02 -3.78 -0.19 0.00 0.00 0.00 0.00 36.38 32.39 1jg5 s VAL 66 CO 0.00 -0.03 -0.02 0.18 0.00 0.00 0.00 175.10 175.23 1jg5 n LEU 67 N 5.66 2.63 -3.67 3.92 4.77 -0.13 -4.96 117.00 125.22 1jg5 n LEU 67 Ca 0.13 0.09 -0.12 0.00 -0.03 0.00 0.00 56.01 56.08 1jg5 n LEU 67 Cb 0.44 -0.97 -0.06 0.00 -2.33 0.00 0.00 43.42 40.50 1jg5 n LEU 67 CO 0.58 0.80 0.14 -0.55 -1.33 0.00 0.00 177.39 177.03 1jg5 s SER 68 N -6.86 -0.25 0.02 -1.43 0.15 -1.06 -5.02 113.70 99.25 1jg5 s SER 68 Ca -0.31 -0.07 0.01 0.00 0.70 0.00 0.00 55.95 56.29 1jg5 s SER 68 Cb 0.09 0.42 -0.02 0.00 -1.71 0.00 0.00 66.02 64.80 1jg5 s SER 68 CO 0.64 -0.68 -0.05 -0.32 1.20 0.00 0.00 173.24 174.02 1jg5 s MET 69 N -2.65 0.41 0.26 5.44 1.75 -1.26 -0.50 119.30 122.74 1jg5 s MET 69 Ca -0.04 -0.49 -0.17 0.00 -1.25 0.00 0.00 55.69 53.74 1jg5 s MET 69 Cb -0.00 -0.23 0.01 0.00 2.84 0.00 0.00 34.83 37.45 1jg5 s MET 69 CO -0.04 0.04 0.59 -0.08 -0.65 0.00 0.00 175.02 174.89 1jg5 s THR 70 N -0.90 0.00 0.05 10.11 -1.32 0.51 -4.98 115.64 119.11 1jg5 s THR 70 Ca -0.07 -1.19 0.08 0.00 -1.21 0.00 0.00 61.69 59.31 1jg5 s THR 70 Cb -0.07 -2.07 -0.03 0.00 -1.51 0.00 0.00 72.50 68.82 1jg5 s THR 70 CO -0.00 -0.01 -0.23 -0.83 -2.21 0.00 0.00 174.62 171.34 1jg5 s GLY 71 N -2.97 1.26 -0.25 6.08 0.00 -1.26 -0.31 107.32 109.88 1jg5 s GLY 71 Ca 0.17 -1.17 -0.03 0.00 0.00 0.00 0.00 44.72 43.68 1jg5 s GLY 71 CO 0.07 -1.09 0.43 0.54 0.00 0.00 0.00 173.10 173.04 1jg5 s VAL 72 N -0.85 -0.68 0.00 1.40 0.11 -0.69 -5.01 120.40 114.69 1jg5 s VAL 72 Ca 0.09 -0.01 0.00 0.00 -2.93 0.00 0.00 61.98 59.13 1jg5 s VAL 72 Cb -0.09 -0.82 0.00 0.00 -1.53 0.00 0.00 36.38 33.94 1jg5 s VAL 72 CO 0.02 -0.07 0.00 0.61 -3.33 0.00 0.00 175.10 172.34 1jg5 n GLY 73 N 5.38 1.48 1.06 6.54 0.00 -1.26 -2.03 105.19 116.36 1jg5 n GLY 73 Ca -0.04 -0.49 0.08 0.00 0.00 0.00 0.00 46.02 45.56 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 12.55 3.18 -4.52 1.61 1.13 -1.26 -4.98 117.38 125.09 1jg5 n GLN 74 Ca 0.00 -2.91 -0.34 0.00 -1.94 0.00 0.00 57.00 51.81 1jg5 n GLN 74 Cb 0.00 -1.91 -0.11 0.00 0.11 0.00 0.00 30.24 28.32 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 -2.84 3.85 -0.17 5.09 2.01 -0.86 -1.29 115.64 121.42 1jg5 s THR 75 Ca 0.44 -0.41 -0.07 0.00 0.31 0.00 0.00 61.69 61.97 1jg5 s THR 75 Cb 0.36 -2.62 -0.04 0.00 0.01 0.00 0.00 72.50 70.21 1jg5 s THR 75 CO 0.10 0.56 0.06 -0.76 -0.69 0.00 0.00 174.62 173.89 1jg5 s LEU 76 N -0.42 3.79 -0.03 4.42 1.43 0.16 -1.70 118.68 126.33 1jg5 s LEU 76 Ca 0.07 0.09 0.05 0.00 -1.03 0.00 0.00 54.13 53.31 1jg5 s LEU 76 Cb -0.12 -1.95 -0.01 0.00 0.03 0.00 0.00 46.19 44.14 1jg5 s LEU 76 CO 0.02 0.20 -0.18 -0.69 0.23 0.00 0.00 176.35 175.93 1jg5 s VAL 77 N 0.20 1.51 -0.09 -1.59 1.01 0.58 -1.82 120.40 120.20 1jg5 s VAL 77 Ca 0.04 -0.78 0.04 0.00 0.00 0.00 0.00 61.98 61.28 1jg5 s VAL 77 Cb -0.12 -1.28 -0.00 0.00 0.00 0.00 0.00 36.38 34.98 1jg5 s VAL 77 CO 0.01 0.43 -0.23 0.26 0.00 0.00 0.00 175.10 175.56 1jg5 s TRP 78 N -0.14 2.47 -0.27 5.22 0.51 -0.27 -0.37 118.94 126.09 1jg5 s TRP 78 Ca 0.00 -0.98 -0.06 0.00 -2.12 0.00 0.00 56.10 52.94 1jg5 s TRP 78 Cb -0.10 -1.65 0.00 0.00 -0.81 0.00 0.00 33.47 30.91 1jg5 s TRP 78 CO 0.01 -0.39 0.05 0.00 -0.51 0.00 0.00 176.95 176.11 1jg5 s LEU 80 N 1.49 3.33 -0.01 0.00 1.02 0.13 -0.95 118.68 123.70 1jg5 s LEU 80 Ca 0.03 -0.53 -0.03 0.00 0.02 0.00 0.00 54.13 53.63 1jg5 s LEU 80 Cb -0.16 -1.88 -0.00 0.00 0.02 0.00 0.00 46.19 44.17 1jg5 s LEU 80 CO 0.01 0.01 0.05 -2.28 0.02 0.00 0.00 176.35 174.16 1jg5 s HIS 81 N -2.18 0.05 -0.02 0.29 2.46 -0.45 -1.00 115.29 114.44 1jg5 s HIS 81 Ca 0.31 -0.10 0.03 0.00 0.47 0.00 0.00 55.06 55.76 1jg5 s HIS 81 Cb -0.07 -0.06 0.00 0.00 -0.13 0.00 0.00 32.58 32.32 1jg5 s HIS 81 CO 0.21 -0.13 -0.09 0.21 -2.47 0.00 0.00 174.74 172.46 1jg5 s LYS 82 N -0.71 0.92 0.00 2.88 2.20 -0.83 -1.78 119.74 122.42 1jg5 s LYS 82 Ca -0.08 -0.32 0.10 0.00 -0.36 0.00 0.00 55.97 55.31 1jg5 s LYS 82 Cb -0.05 -0.87 0.58 0.00 -1.51 0.00 0.00 37.83 35.98 1jg5 s LYS 82 CO 0.00 0.14 1.02 -1.91 -0.36 0.00 0.00 175.35 174.24