#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h59 s ALA 40 N 0.00 3.47 0.35 7.33 0.00 -1.26 -4.78 121.76 126.86 1h59 s ALA 40 Ca 0.00 1.40 -0.26 0.00 0.00 0.00 0.00 51.96 53.10 1h59 s ALA 40 Cb 0.00 -3.54 -0.09 0.00 0.00 0.00 0.00 23.12 19.49 1h59 s ALA 40 CO 0.00 -0.88 1.06 -0.51 0.00 0.00 0.00 175.76 175.43 1h59 s LEU 41 N -2.10 4.31 0.70 0.00 1.02 -0.28 -4.68 118.68 117.66 1h59 s LEU 41 Ca 0.53 2.12 -0.03 0.00 0.02 0.00 0.00 54.13 56.77 1h59 s LEU 41 Cb -0.42 -3.95 0.09 0.00 0.02 0.00 0.00 46.19 41.92 1h59 s LEU 41 CO 0.57 -0.34 0.98 0.00 0.02 0.00 0.00 176.35 177.57 1h59 s ALA 42 N -1.45 3.46 0.13 4.21 0.00 -1.26 0.33 121.76 127.17 1h59 s ALA 42 Ca 0.52 -1.36 -0.31 0.00 0.00 0.00 0.00 51.96 50.81 1h59 s ALA 42 Cb -0.26 -2.26 -0.09 0.00 0.00 0.00 0.00 23.12 20.51 1h59 s ALA 42 CO 0.33 -1.33 1.55 -2.00 0.00 0.00 0.00 175.76 174.30 1h59 s GLU 43 N -5.15 4.23 0.00 0.00 2.12 -1.26 -2.17 118.70 116.48 1h59 s GLU 43 Ca 0.63 2.29 0.00 0.00 0.36 0.00 0.00 54.97 58.25 1h59 s GLU 43 Cb -0.08 -3.29 0.00 0.00 0.26 0.00 0.00 34.13 31.02 1h59 s GLU 43 CO 0.44 -0.61 0.00 0.41 -0.54 0.00 0.00 175.26 174.96 1h59 n GLY 44 N 3.76 0.80 3.82 -1.50 0.00 0.04 -4.98 105.19 107.13 1h59 n GLY 44 Ca 0.14 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 1h59 n GLY 44 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1h59 s GLN 45 N -0.80 4.22 0.65 1.61 0.74 -0.92 -4.76 119.66 120.40 1h59 s GLN 45 Ca 0.00 0.85 -0.18 0.00 0.05 0.00 0.00 55.36 56.09 1h59 s GLN 45 Cb 0.00 -2.79 -0.01 0.00 1.10 0.00 0.00 33.01 31.31 1h59 s GLN 45 CO 0.00 0.35 1.29 -1.12 -0.55 0.00 0.00 175.29 175.25 1h59 s SER 46 N -1.76 4.59 0.21 6.67 0.01 -1.26 -1.85 113.70 120.31 1h59 s SER 46 Ca 0.45 2.60 -0.19 0.00 1.31 0.00 0.00 55.95 60.13 1h59 s SER 46 Cb -0.16 -2.62 0.03 0.00 0.21 0.00 0.00 66.02 63.49 1h59 s SER 46 CO 0.20 -2.01 0.58 0.00 0.41 0.00 0.00 173.24 172.42 1h59 s GLY 48 N -2.87 0.22 0.34 0.00 0.00 -1.26 -1.08 107.32 102.67 1h59 s GLY 48 Ca 0.09 -0.53 0.05 0.00 0.00 0.00 0.00 44.72 44.33 1h59 s GLY 48 CO -0.02 0.96 1.93 -2.08 0.00 0.00 0.00 173.10 173.89 1h59 h VAL 49 N 2.00 1.01 -0.56 1.40 2.07 -1.41 -2.88 116.25 117.88 1h59 h VAL 49 Ca -0.30 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 66.94 1h59 h VAL 49 Cb 1.23 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 31.11 1h59 h VAL 49 CO 0.38 0.15 0.00 -1.22 0.02 0.00 0.00 177.57 176.90 1h59 n TYR 50 N -4.49 1.22 -3.29 1.57 4.01 -1.26 -4.98 117.16 109.94 1h59 n TYR 50 Ca 0.12 -0.62 -0.20 0.00 -0.16 0.00 0.00 57.90 57.04 1h59 n TYR 50 Cb 0.25 -0.20 0.04 0.00 -0.31 0.00 0.00 39.34 39.13 1h59 n TYR 50 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 1h59 n THR 51 N 0.85 0.00 -0.99 -0.72 -2.24 -1.09 -5.08 114.28 105.01 1h59 n THR 51 Ca 0.23 -1.88 -0.31 0.00 -2.27 0.00 0.00 64.05 59.81 1h59 n THR 51 Cb 0.80 -0.40 0.13 0.00 -2.10 0.00 0.00 70.33 68.76 1h59 n THR 51 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1h59 s GLU 52 N -4.36 1.62 0.52 -0.78 0.41 -1.26 -4.83 118.70 110.02 1h59 s GLU 52 Ca 0.49 1.41 -0.17 0.00 -0.41 0.00 0.00 54.97 56.29 1h59 s GLU 52 Cb -0.04 -1.81 -0.07 0.00 -1.78 0.00 0.00 34.13 30.43 1h59 s GLU 52 CO 0.31 -2.16 0.99 1.03 -0.49 0.00 0.00 175.26 174.94 1h59 s ARG 53 N -4.70 3.89 0.82 1.61 0.52 -1.26 -4.70 118.95 115.13 1h59 s ARG 53 Ca 0.65 0.98 -0.11 0.00 -0.52 0.00 0.00 55.73 56.73 1h59 s ARG 53 Cb -0.21 -2.13 0.08 0.00 0.52 0.00 0.00 34.95 33.22 1h59 s ARG 53 CO 0.56 -0.32 1.09 0.00 0.02 0.00 0.00 175.30 176.65 1h59 s ALA 55 N -2.90 2.31 0.29 0.00 0.00 0.15 -4.56 121.76 117.05 1h59 s ALA 55 Ca 0.62 0.58 -0.29 0.00 0.00 0.00 0.00 51.96 52.87 1h59 s ALA 55 Cb -0.18 -3.35 -0.14 0.00 0.00 0.00 0.00 23.12 19.46 1h59 s ALA 55 CO 0.56 -1.56 1.14 1.04 0.00 0.00 0.00 175.76 176.95 1h59 n GLN 56 N -2.74 1.63 -0.21 0.00 3.00 -1.26 -1.49 117.38 116.30 1h59 n GLN 56 Ca 0.11 0.57 0.00 0.00 -0.01 0.00 0.00 57.00 57.67 1h59 n GLN 56 Cb 0.52 -2.04 0.00 0.00 0.00 0.00 0.00 30.24 28.72 1h59 n GLN 56 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1h59 n GLY 57 N 1.24 1.18 3.34 1.08 0.00 -1.26 -5.03 105.19 105.75 1h59 n GLY 57 Ca 0.09 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.89 1h59 n GLY 57 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1h59 s LEU 58 N 0.00 2.45 0.04 0.99 1.43 -0.56 -4.37 118.68 118.66 1h59 s LEU 58 Ca 0.00 -0.88 0.00 0.00 -1.03 0.00 0.00 54.13 52.23 1h59 s LEU 58 Cb 0.00 -0.84 -0.03 0.00 0.03 0.00 0.00 46.19 45.35 1h59 s LEU 58 CO 0.00 -0.04 -0.05 0.00 0.23 0.00 0.00 176.35 176.50 1h59 s ARG 59 N -2.87 0.50 -0.37 1.70 1.70 -0.97 -4.67 118.95 113.97 1h59 s ARG 59 Ca 0.17 -0.88 -0.28 0.00 -0.47 0.00 0.00 55.73 54.26 1h59 s ARG 59 Cb -0.05 0.00 0.02 0.00 -0.57 0.00 0.00 34.95 34.35 1h59 s ARG 59 CO 0.07 -0.04 1.05 0.00 -1.08 0.00 0.00 175.30 175.30 1h59 s LEU 61 N 3.80 2.31 0.69 0.00 2.01 -0.63 -4.86 118.68 122.01 1h59 s LEU 61 Ca 0.44 -0.72 -0.08 0.00 0.01 0.00 0.00 54.13 53.79 1h59 s LEU 61 Cb -0.11 -0.97 0.04 0.00 0.01 0.00 0.00 46.19 45.16 1h59 s LEU 61 CO 0.20 0.09 1.02 -2.16 1.01 0.00 0.00 176.35 176.51 1h59 s PRO 62 N -2.01 2.47 0.24 1.29 0.04 -1.26 0.50 135.00 136.28 1h59 s PRO 62 Ca 0.09 -0.02 -0.30 0.00 0.04 0.00 0.00 61.00 60.82 1h59 s PRO 62 Cb -0.10 -2.14 -0.09 0.00 0.04 0.00 0.00 34.50 32.21 1h59 s PRO 62 CO 0.05 -1.10 1.17 1.03 0.04 0.00 0.00 177.00 178.18 1h59 s ARG 63 N -5.24 4.54 0.00 4.56 1.81 -1.26 -4.86 118.95 118.50 1h59 s ARG 63 Ca 0.58 1.88 0.04 0.00 -1.72 0.00 0.00 55.73 56.52 1h59 s ARG 63 Cb -0.11 -3.20 0.21 0.00 -0.45 0.00 0.00 34.95 31.40 1h59 s ARG 63 CO 0.47 0.03 1.05 1.04 -0.68 0.00 0.00 175.30 177.20 1h59 n GLN 64 N 1.79 0.04 -0.15 3.54 6.02 -1.26 -1.40 117.38 125.95 1h59 n GLN 64 Ca 0.02 0.32 0.12 0.00 -0.01 0.00 0.00 57.00 57.45 1h59 n GLN 64 Cb 0.44 -1.50 0.21 0.00 1.02 0.00 0.00 30.24 30.42 1h59 n GLN 64 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 1h59 n ASP 65 N -1.38 3.27 -4.73 1.08 5.75 -1.26 -4.95 116.55 114.33 1h59 n ASP 65 Ca 0.02 -1.97 -0.41 0.00 -0.01 0.00 0.00 54.79 52.41 1h59 n ASP 65 Cb 0.04 -0.20 -0.03 0.00 -1.03 0.00 0.00 41.12 39.90 1h59 n ASP 65 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 1h59 s GLU 66 N -1.59 4.45 0.13 0.11 0.41 -0.49 -4.92 118.70 116.80 1h59 s GLU 66 Ca 0.37 1.92 -0.10 0.00 -0.41 0.00 0.00 54.97 56.74 1h59 s GLU 66 Cb 0.22 -3.25 -0.06 0.00 -1.78 0.00 0.00 34.13 29.26 1h59 s GLU 66 CO 0.31 -0.18 1.41 0.93 -0.49 0.00 0.00 175.26 177.25 1h59 h GLU 67 N 5.62 0.83 -3.08 1.61 4.39 -1.92 -3.36 114.58 118.67 1h59 h GLU 67 Ca -0.44 -0.54 -0.62 0.00 0.34 0.00 0.00 59.36 58.10 1h59 h GLU 67 Cb 1.21 0.07 -0.41 0.00 -0.10 0.00 0.00 28.75 29.52 1h59 h GLU 67 CO 0.77 1.17 -0.65 0.15 -1.16 0.00 0.00 179.01 179.29 1h59 s LYS 68 N -4.08 2.05 0.22 2.33 -0.14 -1.26 -4.98 119.74 113.87 1h59 s LYS 68 Ca -0.10 -2.89 -0.08 0.00 -1.36 0.00 0.00 55.97 51.54 1h59 s LYS 68 Cb 0.10 -3.07 0.31 0.00 -1.68 0.00 0.00 37.83 33.49 1h59 s LYS 68 CO 0.89 -1.24 1.75 -1.35 -0.76 0.00 0.00 175.35 174.64 1h59 h PRO 69 N 5.85 0.45 -0.38 -1.68 0.11 -1.92 0.63 132.00 135.07 1h59 h PRO 69 Ca 0.08 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 66.14 1h59 h PRO 69 Cb 0.82 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 31.82 1h59 h PRO 69 CO 0.65 0.30 0.13 -0.07 -0.21 0.00 0.00 178.00 178.80 1h59 h LEU 70 N 0.46 0.55 -1.52 2.35 3.38 -1.96 -1.67 115.31 116.90 1h59 h LEU 70 Ca 0.33 -0.20 -0.05 0.00 0.09 0.00 0.00 57.88 58.06 1h59 h LEU 70 Cb 0.40 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1h59 h LEU 70 CO -0.31 0.59 -0.20 0.45 0.09 0.00 0.00 178.44 179.06 1h59 h HIS 71 N 0.47 0.05 -0.58 1.13 3.86 -1.86 -1.55 115.15 116.67 1h59 h HIS 71 Ca 0.12 -0.01 -0.10 0.00 -1.16 0.00 0.00 60.37 59.23 1h59 h HIS 71 Cb 0.24 -0.02 -0.02 0.00 1.06 0.00 0.00 27.41 28.67 1h59 h HIS 71 CO 0.01 0.26 -0.01 0.00 0.86 0.00 0.00 177.93 179.04 1h59 h ALA 72 N 1.75 0.88 -0.48 2.45 0.00 -0.19 -1.77 119.26 121.90 1h59 h ALA 72 Ca 0.01 -0.31 -0.12 0.00 0.00 0.00 0.00 54.91 54.49 1h59 h ALA 72 Cb 0.39 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1h59 h ALA 72 CO 0.03 0.66 -0.17 -0.07 0.00 0.00 0.00 179.25 179.70 1h59 h LEU 73 N 0.93 0.98 -1.34 0.00 4.07 -0.68 0.20 115.31 119.46 1h59 h LEU 73 Ca 0.16 -0.38 -0.03 0.00 0.08 0.00 0.00 57.88 57.71 1h59 h LEU 73 Cb 0.56 -0.27 -0.02 0.00 1.08 0.00 0.00 40.66 42.01 1h59 h LEU 73 CO 0.03 1.14 0.10 -0.07 -1.08 0.00 0.00 178.44 178.56 1h59 h LEU 74 N 0.81 0.50 -2.89 1.67 3.38 -1.10 -0.81 115.31 116.88 1h59 h LEU 74 Ca 0.11 -0.07 -0.07 0.00 0.09 0.00 0.00 57.88 57.95 1h59 h LEU 74 Cb 0.74 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.32 1h59 h LEU 74 CO 0.06 0.50 0.09 1.41 0.09 0.00 0.00 178.44 180.58 1h59 n HIS 75 N -4.34 1.58 -2.31 1.13 8.25 -0.68 -4.57 115.22 114.27 1h59 n HIS 75 Ca 0.02 -0.68 -0.19 0.00 -0.26 0.00 0.00 57.72 56.61 1h59 n HIS 75 Cb 0.18 -0.45 -0.01 0.00 1.12 0.00 0.00 29.99 30.82 1h59 n HIS 75 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1h59 n GLY 76 N 0.23 -0.28 1.55 -1.41 0.00 -0.87 -4.90 105.19 99.51 1h59 n GLY 76 Ca 0.23 -0.09 0.08 0.00 0.00 0.00 0.00 46.02 46.25 1h59 n GLY 76 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1h59 n ARG 77 N -2.80 4.06 -2.28 1.61 1.74 0.67 -4.17 116.66 115.49 1h59 n ARG 77 Ca -0.22 -2.97 -0.27 0.00 -0.77 0.00 0.00 57.85 53.62 1h59 n ARG 77 Cb 0.67 -2.02 0.14 0.00 -1.02 0.00 0.00 32.46 30.24 1h59 n ARG 77 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1h59 s GLY 78 N -1.05 1.77 -0.02 -0.13 0.00 -0.24 -4.41 107.32 103.23 1h59 s GLY 78 Ca 0.50 -1.48 -0.02 0.00 0.00 0.00 0.00 44.72 43.71 1h59 s GLY 78 CO 0.18 -0.82 0.06 0.54 0.00 0.00 0.00 173.10 173.06 1h59 s VAL 79 N -3.50 0.01 -0.19 1.40 0.11 0.18 -1.50 120.40 116.92 1h59 s VAL 79 Ca 0.70 -0.09 -0.29 0.00 -2.93 0.00 0.00 61.98 59.36 1h59 s VAL 79 Cb -0.05 -0.13 -0.02 0.00 -1.53 0.00 0.00 36.38 34.66 1h59 s VAL 79 CO 0.48 -0.05 1.34 0.00 -3.33 0.00 0.00 175.10 173.55 1h59 s LEU 81 N 3.89 1.96 0.00 0.00 1.43 -0.84 -0.78 118.68 124.34 1h59 s LEU 81 Ca 0.59 -1.75 0.00 0.00 -1.03 0.00 0.00 54.13 51.93 1h59 s LEU 81 Cb -0.22 0.03 0.00 0.00 0.03 0.00 0.00 46.19 46.02 1h59 s LEU 81 CO 0.19 -1.01 0.00 -0.46 0.23 0.00 0.00 176.35 175.30 1h59 n ASN 82 N -1.50 0.00 0.00 2.29 0.23 -1.26 -2.30 115.26 112.71 1h59 n ASN 82 Ca -0.05 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.00 1h59 n ASN 82 Cb 0.64 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.34 1h59 n ASN 82 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71