#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jb0 s HIS 2 N 0.00 3.30 -0.19 0.00 0.09 -1.26 -3.72 115.29 113.51 1jb0 s HIS 2 Ca 0.00 1.46 -0.08 0.00 -0.00 0.00 0.00 55.06 56.44 1jb0 s HIS 2 Cb 0.00 -2.86 -0.04 0.00 -0.00 0.00 0.00 32.58 29.68 1jb0 s HIS 2 CO 0.00 -0.70 0.08 0.99 -0.00 0.00 0.00 174.74 175.11 1jb0 s THR 3 N -2.65 4.93 -0.21 1.30 2.01 -0.28 -4.85 115.64 115.89 1jb0 s THR 3 Ca 0.60 0.02 0.01 0.00 0.31 0.00 0.00 61.69 62.63 1jb0 s THR 3 Cb -0.12 -3.23 0.05 0.00 0.01 0.00 0.00 72.50 69.20 1jb0 s THR 3 CO 0.37 0.46 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.96 1jb0 s VAL 4 N 0.37 1.73 0.00 3.82 1.01 -1.26 -0.74 120.40 125.33 1jb0 s VAL 4 Ca 0.04 -1.12 0.02 0.00 0.00 0.00 0.00 61.98 60.92 1jb0 s VAL 4 Cb -0.12 -1.81 -0.04 0.00 0.00 0.00 0.00 36.38 34.41 1jb0 s VAL 4 CO -0.00 0.13 -0.01 -0.54 0.00 0.00 0.00 175.10 174.67 1jb0 s LYS 5 N 1.35 2.72 -0.19 2.72 -0.14 -0.35 -4.74 119.74 121.11 1jb0 s LYS 5 Ca -0.03 -0.65 0.01 0.00 -1.36 0.00 0.00 55.97 53.95 1jb0 s LYS 5 Cb -0.17 -2.63 0.02 0.00 -1.68 0.00 0.00 37.83 33.38 1jb0 s LYS 5 CO -0.08 0.62 -0.18 0.42 -0.76 0.00 0.00 175.35 175.36 1jb0 s ILE 6 N -1.08 2.10 0.51 2.17 1.09 -1.26 -0.33 121.20 124.41 1jb0 s ILE 6 Ca 0.19 -1.02 -0.05 0.00 -1.10 0.00 0.00 60.65 58.67 1jb0 s ILE 6 Cb -0.11 -1.93 -0.02 0.00 -1.06 0.00 0.00 42.46 39.34 1jb0 s ILE 6 CO 0.10 0.46 0.81 -0.31 -0.10 0.00 0.00 174.94 175.90 1jb0 s TYR 7 N 1.27 3.41 -1.66 3.97 1.51 0.44 -4.98 117.35 121.30 1jb0 s TYR 7 Ca 0.03 0.66 0.00 0.00 -1.01 0.00 0.00 57.07 56.75 1jb0 s TYR 7 Cb -0.14 -2.45 0.00 0.00 -0.11 0.00 0.00 41.96 39.26 1jb0 s TYR 7 CO -0.12 -0.47 0.66 -0.40 -1.11 0.00 0.00 175.55 174.11 1jb0 n ASP 8 N -2.34 0.27 -0.99 2.29 5.68 -1.26 -2.41 116.55 117.79 1jb0 n ASP 8 Ca 0.02 -1.59 0.10 0.00 -0.50 0.00 0.00 54.79 52.82 1jb0 n ASP 8 Cb 0.56 -0.13 0.27 0.00 -1.14 0.00 0.00 41.12 40.67 1jb0 n ASP 8 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1jb0 n THR 9 N -0.30 0.57 -1.93 2.12 -2.24 -1.26 -4.93 114.28 106.32 1jb0 n THR 9 Ca 0.00 -0.68 -0.42 0.00 -2.27 0.00 0.00 64.05 60.69 1jb0 n THR 9 Cb 0.07 0.56 -0.02 0.00 -2.10 0.00 0.00 70.33 68.84 1jb0 n THR 9 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jb0 n ILE 11 N 2.57 2.40 -3.65 0.00 -5.35 -1.26 -4.76 119.36 109.31 1jb0 n ILE 11 Ca 0.08 -1.59 -0.28 0.00 -0.27 0.00 0.00 62.75 60.69 1jb0 n ILE 11 Cb 0.39 -0.20 0.00 0.00 -1.74 0.00 0.00 39.64 38.09 1jb0 n ILE 11 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1jb0 n GLY 12 N 0.14 -0.48 0.15 3.28 0.00 -1.22 -4.55 105.19 102.49 1jb0 n GLY 12 Ca 0.24 0.13 0.13 0.00 0.00 0.00 0.00 46.02 46.52 1jb0 n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jb0 n THR 14 N -2.45 0.00 -0.10 0.00 -2.24 -1.26 -4.93 114.28 103.30 1jb0 n THR 14 Ca 0.04 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.75 1jb0 n THR 14 Cb 0.37 -0.21 0.01 0.00 -2.10 0.00 0.00 70.33 68.39 1jb0 n THR 14 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 1jb0 h GLN 15 N 1.73 0.32 0.15 -0.78 7.50 -1.92 -2.27 115.11 119.85 1jb0 h GLN 15 Ca 0.00 -0.02 0.01 0.00 0.50 0.00 0.00 58.65 59.14 1jb0 h GLN 15 Cb 0.02 -0.07 -0.03 0.00 0.05 0.00 0.00 27.48 27.45 1jb0 h GLN 15 CO 0.00 0.21 -0.26 0.00 -1.50 0.00 0.00 178.83 177.29 1jb0 h VAL 17 N -0.49 0.54 -0.08 0.00 2.07 -1.84 0.21 116.25 116.66 1jb0 h VAL 17 Ca 0.02 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.40 1jb0 h VAL 17 Cb 0.50 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.35 1jb0 h VAL 17 CO -0.12 0.08 0.00 -2.11 0.02 0.00 0.00 177.57 175.43 1jb0 n ARG 18 N -5.03 1.43 -0.09 1.57 1.85 -0.88 -3.27 116.66 112.25 1jb0 n ARG 18 Ca 0.19 -0.64 -0.07 0.00 -1.00 0.00 0.00 57.85 56.32 1jb0 n ARG 18 Cb 0.56 -1.37 -0.15 0.00 -1.05 0.00 0.00 32.46 30.45 1jb0 n ARG 18 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1jb0 n ALA 19 N -0.15 1.65 -1.67 2.89 0.00 0.64 -4.96 120.51 118.91 1jb0 n ALA 19 Ca 0.16 -1.18 -0.43 0.00 0.00 0.00 0.00 53.44 51.99 1jb0 n ALA 19 Cb 0.23 -0.20 -0.03 0.00 0.00 0.00 0.00 19.45 19.44 1jb0 n ALA 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jb0 n PRO 21 N 6.80 0.13 0.00 0.00 -0.04 -1.26 -3.81 135.00 136.82 1jb0 n PRO 21 Ca 0.20 0.02 0.00 0.00 -0.04 0.00 0.00 63.50 63.68 1jb0 n PRO 21 Cb 0.38 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.34 1jb0 n PRO 21 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1jb0 n THR 22 N -1.43 0.77 -3.39 0.52 -2.24 -1.26 -5.04 114.28 102.21 1jb0 n THR 22 Ca 0.09 -0.79 -0.18 0.00 -2.27 0.00 0.00 64.05 60.89 1jb0 n THR 22 Cb 0.29 0.62 0.04 0.00 -2.10 0.00 0.00 70.33 69.19 1jb0 n THR 22 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1jb0 n ASP 23 N -0.39 -6.33 0.01 3.42 2.03 -1.25 -4.93 116.55 109.11 1jb0 n ASP 23 Ca 0.00 -0.70 0.03 0.00 0.52 0.00 0.00 54.79 54.63 1jb0 n ASP 23 Cb 0.29 -4.38 -0.11 0.00 -0.72 0.00 0.00 41.12 36.20 1jb0 n ASP 23 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 1jb0 n VAL 24 N -3.23 0.83 -4.36 5.18 0.31 -1.26 -4.78 118.33 111.02 1jb0 n VAL 24 Ca -0.08 -0.65 -0.27 0.00 -0.01 0.00 0.00 64.34 63.34 1jb0 n VAL 24 Cb 0.59 -0.43 -0.10 0.00 -0.91 0.00 0.00 33.84 32.99 1jb0 n VAL 24 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1jb0 s LEU 25 N -5.33 2.73 0.06 7.52 1.43 -1.26 -2.54 118.68 121.30 1jb0 s LEU 25 Ca -0.05 -0.73 -0.15 0.00 -1.03 0.00 0.00 54.13 52.16 1jb0 s LEU 25 Cb 0.10 -1.42 0.03 0.00 0.03 0.00 0.00 46.19 44.93 1jb0 s LEU 25 CO 0.84 0.10 0.35 -1.83 0.23 0.00 0.00 176.35 176.04 1jb0 s GLU 26 N -2.83 0.90 0.04 1.70 -1.05 0.13 -4.86 118.70 112.74 1jb0 s GLU 26 Ca 0.24 -0.53 -0.23 0.00 -0.15 0.00 0.00 54.97 54.30 1jb0 s GLU 26 Cb -0.08 0.39 -0.06 0.00 -0.44 0.00 0.00 34.13 33.95 1jb0 s GLU 26 CO 0.13 -0.31 0.68 -1.64 0.95 0.00 0.00 175.26 175.07 1jb0 s MET 27 N -2.88 4.41 0.11 -4.83 -1.94 -1.26 0.06 119.30 112.97 1jb0 s MET 27 Ca -0.03 0.92 0.05 0.00 -1.71 0.00 0.00 55.69 54.92 1jb0 s MET 27 Cb 0.00 -3.33 -0.04 0.00 2.01 0.00 0.00 34.83 33.47 1jb0 s MET 27 CO -0.05 0.38 -0.13 0.14 -0.01 0.00 0.00 175.02 175.35 1jb0 s VAL 28 N -0.33 1.20 0.20 -6.03 -7.23 -0.51 -4.96 120.40 102.74 1jb0 s VAL 28 Ca 0.34 -1.63 -0.32 0.00 -1.81 0.00 0.00 61.98 58.56 1jb0 s VAL 28 Cb -0.20 -1.41 -0.14 0.00 0.56 0.00 0.00 36.38 35.20 1jb0 s VAL 28 CO 0.21 -0.42 1.48 -2.65 -0.31 0.00 0.00 175.10 173.41 1jb0 n PRO 29 N 0.67 2.06 -3.71 4.82 -0.02 -1.26 -1.57 135.00 135.99 1jb0 n PRO 29 Ca -0.17 0.74 -0.14 0.00 -2.02 0.00 0.00 63.50 61.92 1jb0 n PRO 29 Cb 0.57 -2.44 -0.09 0.00 -0.02 0.00 0.00 33.50 31.51 1jb0 n PRO 29 CO 0.00 0.00 0.00 -0.46 1.98 0.00 0.00 175.50 177.02 1jb0 s TRP 30 N 0.35 -0.43 -2.53 6.00 -0.00 -0.77 -4.71 118.94 116.85 1jb0 s TRP 30 Ca 0.73 0.98 0.24 0.00 -0.00 0.00 0.00 56.10 58.05 1jb0 s TRP 30 Cb -0.67 0.17 0.14 0.00 -0.00 0.00 0.00 33.47 33.11 1jb0 s TRP 30 CO 0.45 -0.30 1.21 -0.40 -0.00 0.00 0.00 176.95 177.90 1jb0 n ASP 31 N 2.33 2.48 0.01 5.86 5.75 -1.26 -2.48 116.55 129.24 1jb0 n ASP 31 Ca -0.16 -1.74 0.08 0.00 -0.01 0.00 0.00 54.79 52.96 1jb0 n ASP 31 Cb 0.57 0.22 0.37 0.00 -1.03 0.00 0.00 41.12 41.24 1jb0 n ASP 31 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1jb0 n GLY 32 N 1.38 -1.10 3.23 6.12 0.00 -1.26 -4.84 105.19 108.71 1jb0 n GLY 32 Ca 0.12 -0.05 -0.09 0.00 0.00 0.00 0.00 46.02 46.00 1jb0 n GLY 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jb0 h LYS 34 N 2.68 0.45 0.00 0.00 1.63 -1.89 0.12 116.57 119.55 1jb0 h LYS 34 Ca -0.34 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.44 1jb0 h LYS 34 Cb 1.21 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 32.74 1jb0 h LYS 34 CO 0.54 0.29 0.00 0.00 -3.45 0.00 0.00 179.45 176.84 1jb0 n ALA 35 N -2.47 1.92 -3.16 5.00 0.00 -1.26 -4.90 120.51 115.63 1jb0 n ALA 35 Ca 0.23 -0.02 -0.18 0.00 0.00 0.00 0.00 53.44 53.47 1jb0 n ALA 35 Cb 0.76 -1.37 0.05 0.00 0.00 0.00 0.00 19.45 18.90 1jb0 n ALA 35 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jb0 n GLY 36 N 0.56 -0.19 3.56 0.00 0.00 0.40 -4.97 105.19 104.55 1jb0 n GLY 36 Ca 0.04 -0.01 -0.14 0.00 0.00 0.00 0.00 46.02 45.91 1jb0 n GLY 36 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1jb0 s GLN 37 N -5.80 0.81 0.13 1.61 -2.07 -1.04 -1.85 119.66 111.46 1jb0 s GLN 37 Ca 0.37 0.33 0.07 0.00 -1.82 0.00 0.00 55.36 54.32 1jb0 s GLN 37 Cb -0.16 0.39 -0.04 0.00 -1.09 0.00 0.00 33.01 32.11 1jb0 s GLN 37 CO 0.46 -0.23 -0.17 -1.50 -1.32 0.00 0.00 175.29 172.53 1jb0 s ILE 38 N -0.85 1.56 0.53 3.63 2.07 -0.61 -3.46 121.20 124.08 1jb0 s ILE 38 Ca -0.05 -1.70 -0.16 0.00 -1.41 0.00 0.00 60.65 57.33 1jb0 s ILE 38 Cb -0.01 -1.59 -0.07 0.00 0.13 0.00 0.00 42.46 40.92 1jb0 s ILE 38 CO 0.04 -0.28 1.01 0.00 -1.91 0.00 0.00 174.94 173.80 1jb0 s ALA 39 N -1.78 2.97 0.01 1.50 0.00 -1.26 -1.42 121.76 121.77 1jb0 s ALA 39 Ca 0.09 0.26 -0.02 0.00 0.00 0.00 0.00 51.96 52.29 1jb0 s ALA 39 Cb -0.07 -3.15 -0.01 0.00 0.00 0.00 0.00 23.12 19.89 1jb0 s ALA 39 CO 0.04 -0.39 0.03 0.45 0.00 0.00 0.00 175.76 175.90 1jb0 s SER 40 N -2.95 0.11 -0.68 0.00 0.15 0.11 -4.86 113.70 105.58 1jb0 s SER 40 Ca 0.60 -0.27 0.05 0.00 0.70 0.00 0.00 55.95 57.03 1jb0 s SER 40 Cb -0.12 0.13 0.24 0.00 -1.71 0.00 0.00 66.02 64.56 1jb0 s SER 40 CO 0.32 -0.25 0.75 -1.54 1.20 0.00 0.00 173.24 173.73 1jb0 n SER 41 N 1.93 3.82 0.16 5.45 3.41 -1.26 -0.69 113.62 126.44 1jb0 n SER 41 Ca -0.21 -3.41 0.13 0.00 -0.26 0.00 0.00 58.87 55.13 1jb0 n SER 41 Cb 0.56 -0.72 0.35 0.00 -0.26 0.00 0.00 64.21 64.14 1jb0 n SER 41 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 1jb0 h PRO 42 N 4.46 0.00 -1.75 4.33 0.13 -1.90 -3.37 132.00 133.90 1jb0 h PRO 42 Ca 0.19 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.74 1jb0 h PRO 42 Cb 0.67 0.00 -0.42 0.00 0.13 0.00 0.00 31.00 31.39 1jb0 h PRO 42 CO 0.85 0.00 -0.73 0.54 -0.23 0.00 0.00 178.00 178.43 1jb0 n ARG 43 N -2.61 3.24 0.18 0.86 1.74 -1.05 -4.86 116.66 114.16 1jb0 n ARG 43 Ca 0.04 -4.55 0.14 0.00 -0.77 0.00 0.00 57.85 52.71 1jb0 n ARG 43 Cb 0.44 -2.20 0.61 0.00 -1.02 0.00 0.00 32.46 30.29 1jb0 n ARG 43 CO 0.00 0.00 0.00 1.79 -1.52 0.00 0.00 177.63 177.90 1jb0 h THR 44 N 2.69 0.00 0.00 0.55 1.35 -1.80 -1.55 112.91 114.16 1jb0 h THR 44 Ca 0.23 -0.22 0.00 0.00 -0.55 0.00 0.00 66.41 65.87 1jb0 h THR 44 Cb 0.80 0.97 0.00 0.00 -1.73 0.00 0.00 68.15 68.19 1jb0 h THR 44 CO 0.82 0.00 0.00 -1.84 -0.25 0.00 0.00 175.52 174.25 1jb0 n GLU 45 N -2.48 0.07 -0.01 4.72 0.00 -1.26 -0.68 120.64 121.00 1jb0 n GLU 45 Ca 0.01 0.42 0.09 0.00 0.00 0.00 0.00 57.16 57.68 1jb0 n GLU 45 Cb 0.19 -1.68 0.08 0.00 0.00 0.00 0.00 31.44 30.04 1jb0 n GLU 45 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1jb0 n ASP 46 N -1.82 2.59 -4.68 -1.84 8.00 -0.58 -4.70 116.55 113.51 1jb0 n ASP 46 Ca 0.01 -1.78 -0.42 0.00 0.71 0.00 0.00 54.79 53.31 1jb0 n ASP 46 Cb 0.12 -0.02 -0.03 0.00 -0.02 0.00 0.00 41.12 41.18 1jb0 n ASP 46 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1jb0 n VAL 48 N 4.86 0.09 -1.00 0.00 0.24 -1.26 -4.23 118.33 117.03 1jb0 n VAL 48 Ca 0.14 -0.10 0.00 0.00 -2.04 0.00 0.00 64.34 62.35 1jb0 n VAL 48 Cb 0.43 0.25 0.00 0.00 -1.47 0.00 0.00 33.84 33.05 1jb0 n VAL 48 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1jb0 n GLY 49 N 1.45 0.40 0.28 7.63 0.00 -1.26 -4.80 105.19 108.88 1jb0 n GLY 49 Ca 0.04 -1.06 0.13 0.00 0.00 0.00 0.00 46.02 45.13 1jb0 n GLY 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jb0 n LYS 51 N -3.90 -0.87 0.21 0.00 5.02 -1.26 -4.87 118.16 112.48 1jb0 n LYS 51 Ca -0.03 0.85 0.06 0.00 -2.02 0.00 0.00 58.31 57.18 1jb0 n LYS 51 Cb 0.14 -4.84 0.56 0.00 -0.02 0.00 0.00 35.03 30.87 1jb0 n LYS 51 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1jb0 h ARG 52 N 0.05 0.08 0.62 1.97 3.08 -1.91 -2.33 114.38 115.94 1jb0 h ARG 52 Ca -0.22 -0.01 -0.03 0.00 0.07 0.00 0.00 59.98 59.80 1jb0 h ARG 52 Cb 0.76 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.79 1jb0 h ARG 52 CO 0.32 0.11 -0.38 0.00 -1.07 0.00 0.00 179.97 178.95 1jb0 h GLU 54 N -0.94 0.77 -0.89 0.00 5.08 -1.80 0.13 114.58 116.92 1jb0 h GLU 54 Ca -0.08 -0.05 0.10 0.00 -1.00 0.00 0.00 59.36 58.33 1jb0 h GLU 54 Cb 0.75 -0.17 -0.06 0.00 0.50 0.00 0.00 28.75 29.76 1jb0 h GLU 54 CO 0.09 0.51 0.58 1.15 -1.00 0.00 0.00 179.01 180.33 1jb0 h THR 55 N 0.79 0.97 0.00 1.13 2.02 -1.08 -1.93 112.91 114.81 1jb0 h THR 55 Ca 0.52 -0.31 0.00 0.00 0.77 0.00 0.00 66.41 67.40 1jb0 h THR 55 Cb 0.71 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.12 1jb0 h THR 55 CO -0.34 0.16 -0.26 0.00 0.37 0.00 0.00 175.52 175.45 1jb0 h ALA 56 N 1.55 0.84 -2.34 6.16 0.00 0.23 -3.46 119.26 122.24 1jb0 h ALA 56 Ca 0.41 0.00 -0.54 0.00 0.00 0.00 0.00 54.91 54.78 1jb0 h ALA 56 Cb 0.41 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 1jb0 h ALA 56 CO -0.18 0.00 0.91 0.00 0.00 0.00 0.00 179.25 179.98 1jb0 h PRO 58 N 8.24 0.00 -6.93 0.00 0.11 -1.89 -3.47 132.00 128.06 1jb0 h PRO 58 Ca -0.38 0.00 -0.54 0.00 0.11 0.00 0.00 66.00 65.20 1jb0 h PRO 58 Cb 1.17 0.00 0.10 0.00 0.11 0.00 0.00 31.00 32.39 1jb0 h PRO 58 CO 0.92 0.72 0.79 0.95 -0.21 0.00 0.00 178.00 181.17 1jb0 s THR 59 N -2.97 2.06 -0.73 -1.15 -4.23 -1.26 -4.83 115.64 102.53 1jb0 s THR 59 Ca 0.02 0.06 -0.26 0.00 -1.18 0.00 0.00 61.69 60.32 1jb0 s THR 59 Cb 0.09 -3.04 0.01 0.00 1.34 0.00 0.00 72.50 70.90 1jb0 s THR 59 CO 0.77 0.01 1.55 -0.62 -0.54 0.00 0.00 174.62 175.80 1jb0 s ASP 60 N -0.10 5.79 0.00 3.99 2.15 -1.26 -3.19 116.67 124.05 1jb0 s ASP 60 Ca 0.53 -0.26 0.00 0.00 0.43 0.00 0.00 52.55 53.26 1jb0 s ASP 60 Cb -0.47 -2.55 0.00 0.00 -0.30 0.00 0.00 42.92 39.61 1jb0 s ASP 60 CO 0.62 -2.07 0.00 0.33 -0.17 0.00 0.00 175.17 173.88 1jb0 n PHE 61 N 10.90 0.00 -0.08 -5.34 7.35 -1.26 -5.03 117.46 124.00 1jb0 n PHE 61 Ca 0.14 0.00 -0.03 0.00 -0.76 0.00 0.00 57.45 56.81 1jb0 n PHE 61 Cb 0.50 -1.89 -0.00 0.00 0.35 0.00 0.00 39.48 38.44 1jb0 n PHE 61 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 1jb0 n LEU 62 N 0.00 -0.08 -0.02 -2.13 4.77 -1.19 -4.91 117.00 113.43 1jb0 n LEU 62 Ca 0.00 0.06 0.06 0.00 -0.03 0.00 0.00 56.01 56.10 1jb0 n LEU 62 Cb 0.00 -0.05 -0.14 0.00 -2.33 0.00 0.00 43.42 40.90 1jb0 n LEU 62 CO 0.00 -0.18 -0.78 -1.20 -1.33 0.00 0.00 177.39 173.91 1jb0 n SER 63 N 0.12 0.89 -4.36 -1.43 7.64 -1.26 -4.87 113.62 110.34 1jb0 n SER 63 Ca 0.01 0.00 -0.33 0.00 1.01 0.00 0.00 58.87 59.56 1jb0 n SER 63 Cb 0.01 1.65 -0.15 0.00 -1.01 0.00 0.00 64.21 64.72 1jb0 n SER 63 CO 0.00 0.00 0.00 -0.51 -3.01 0.00 0.00 175.04 171.52 1jb0 s ILE 64 N -3.09 2.93 -0.04 0.44 2.07 -1.26 0.17 121.20 122.42 1jb0 s ILE 64 Ca -0.07 -0.71 0.02 0.00 -1.41 0.00 0.00 60.65 58.49 1jb0 s ILE 64 Cb 0.10 -2.21 0.01 0.00 0.13 0.00 0.00 42.46 40.49 1jb0 s ILE 64 CO 0.74 0.53 -0.10 -0.60 -1.91 0.00 0.00 174.94 173.60 1jb0 s ARG 65 N 0.27 1.20 -0.29 3.50 6.06 0.55 -4.64 118.95 125.59 1jb0 s ARG 65 Ca -0.10 -0.33 -0.06 0.00 -2.50 0.00 0.00 55.73 52.74 1jb0 s ARG 65 Cb -0.16 -1.08 0.02 0.00 0.06 0.00 0.00 34.95 33.79 1jb0 s ARG 65 CO 0.06 0.08 0.05 0.08 -2.50 0.00 0.00 175.30 173.07 1jb0 s VAL 66 N 0.40 3.71 -0.40 7.11 1.01 -1.26 -1.22 120.40 129.75 1jb0 s VAL 66 Ca -0.07 -0.83 -0.10 0.00 0.00 0.00 0.00 61.98 60.97 1jb0 s VAL 66 Cb -0.12 -2.94 0.06 0.00 0.00 0.00 0.00 36.38 33.38 1jb0 s VAL 66 CO 0.01 0.06 0.23 -0.31 0.00 0.00 0.00 175.10 175.10 1jb0 s TYR 67 N 1.45 3.29 0.23 5.22 1.51 0.08 -4.98 117.35 124.14 1jb0 s TYR 67 Ca 0.01 -1.27 -0.32 0.00 -1.01 0.00 0.00 57.07 54.48 1jb0 s TYR 67 Cb -0.17 -2.71 -0.12 0.00 -0.11 0.00 0.00 41.96 38.84 1jb0 s TYR 67 CO 0.01 -0.76 1.64 1.28 -1.11 0.00 0.00 175.55 176.61 1jb0 n LEU 68 N 4.96 3.86 0.00 -1.29 4.77 -1.26 -1.13 117.00 126.91 1jb0 n LEU 68 Ca -0.11 1.09 0.00 0.00 -0.03 0.00 0.00 56.01 56.96 1jb0 n LEU 68 Cb 0.44 -1.54 0.00 0.00 -2.33 0.00 0.00 43.42 39.99 1jb0 n LEU 68 CO 0.38 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 177.08 1jb0 n GLY 69 N 3.23 5.35 3.61 -0.72 0.00 -1.25 -4.87 105.19 110.54 1jb0 n GLY 69 Ca 0.14 -1.50 -0.50 0.00 0.00 0.00 0.00 46.02 44.15 1jb0 n GLY 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jb0 n ALA 70 N -3.00 -0.46 -2.31 4.61 0.00 -1.24 -4.74 120.51 113.36 1jb0 n ALA 70 Ca 0.00 0.50 -0.34 0.00 0.00 0.00 0.00 53.44 53.59 1jb0 n ALA 70 Cb 0.00 -2.13 -0.06 0.00 0.00 0.00 0.00 19.45 17.26 1jb0 n ALA 70 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1jb0 s GLU 71 N 0.47 3.98 0.23 0.00 0.41 -1.26 -1.71 118.70 120.81 1jb0 s GLU 71 Ca 0.82 0.51 0.01 0.00 -0.41 0.00 0.00 54.97 55.90 1jb0 s GLU 71 Cb -0.89 -2.82 -0.04 0.00 -1.78 0.00 0.00 34.13 28.61 1jb0 s GLU 71 CO 0.46 0.40 0.17 0.95 -0.49 0.00 0.00 175.26 176.75 1jb0 s THR 72 N -1.59 0.00 0.22 3.63 -4.23 -1.26 -4.92 115.64 107.48 1jb0 s THR 72 Ca 0.42 -1.99 -0.08 0.00 -1.18 0.00 0.00 61.69 58.85 1jb0 s THR 72 Cb -0.14 -2.50 0.17 0.00 1.34 0.00 0.00 72.50 71.37 1jb0 s THR 72 CO 0.20 0.00 1.73 0.74 -0.54 0.00 0.00 174.62 176.75 1jb0 h THR 73 N 2.51 0.72 -0.06 3.99 2.02 -1.96 0.25 112.91 120.38 1jb0 h THR 73 Ca -0.34 -0.13 -0.01 0.00 0.77 0.00 0.00 66.41 66.70 1jb0 h THR 73 Cb 1.25 0.29 -0.00 0.00 -1.74 0.00 0.00 68.15 67.95 1jb0 h THR 73 CO 0.49 0.07 0.01 0.03 0.37 0.00 0.00 175.52 176.49 1jb0 h ARG 74 N 0.39 0.11 0.00 6.66 3.08 -1.90 -2.19 114.38 120.54 1jb0 h ARG 74 Ca 0.33 -0.03 -0.06 0.00 0.07 0.00 0.00 59.98 60.30 1jb0 h ARG 74 Cb 0.45 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.48 1jb0 h ARG 74 CO -0.35 0.36 -0.28 0.66 -1.07 0.00 0.00 179.97 179.29 1jb0 h SER 75 N -0.16 0.00 0.38 7.04 4.64 -1.65 -1.89 113.55 121.91 1jb0 h SER 75 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1jb0 h SER 75 Cb 0.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 1jb0 h SER 75 CO 0.00 0.28 -0.03 0.23 -0.87 0.00 0.00 176.83 176.44 1jb0 n MET 76 N -4.13 0.64 -2.73 4.77 2.81 0.05 -4.58 117.12 113.95 1jb0 n MET 76 Ca -0.02 -0.07 -0.17 0.00 -1.81 0.00 0.00 57.70 55.63 1jb0 n MET 76 Cb 0.33 -1.50 0.02 0.00 -0.71 0.00 0.00 33.22 31.36 1jb0 n MET 76 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1jb0 n GLY 77 N 1.22 -0.26 3.73 3.03 0.00 -0.71 -4.98 105.19 107.22 1jb0 n GLY 77 Ca 0.17 -0.11 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 1jb0 n GLY 77 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jb0 s LEU 78 N -5.13 4.43 -0.13 0.99 1.43 -0.87 -4.91 118.68 114.50 1jb0 s LEU 78 Ca 0.18 1.51 0.16 0.00 -1.03 0.00 0.00 54.13 54.96 1jb0 s LEU 78 Cb -0.08 -3.33 0.68 0.00 0.03 0.00 0.00 46.19 43.49 1jb0 s LEU 78 CO 0.23 -0.06 1.58 0.00 0.23 0.00 0.00 176.35 178.32 1jb0 n ALA 79 N 3.10 3.20 -0.85 4.21 0.00 -1.26 -4.86 120.51 124.05 1jb0 n ALA 79 Ca -0.00 -1.51 0.00 0.00 0.00 0.00 0.00 53.44 51.93 1jb0 n ALA 79 Cb 0.50 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.91 1jb0 n ALA 79 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98