#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pyc s PRO 61 N 0.00 4.55 0.52 9.51 0.02 -1.26 -5.01 135.00 143.33 1pyc s PRO 61 Ca 0.00 1.79 -0.06 0.00 0.02 0.00 0.00 61.00 62.76 1pyc s PRO 61 Cb 0.00 -3.25 -0.03 0.00 0.02 0.00 0.00 34.50 31.24 1pyc s PRO 61 CO 0.00 0.01 0.83 -0.51 -0.33 0.00 0.00 177.00 177.01 1pyc s LEU 62 N -0.40 3.50 0.36 -5.54 1.43 -1.26 -5.10 118.68 111.67 1pyc s LEU 62 Ca 0.50 0.91 0.09 0.00 -1.03 0.00 0.00 54.13 54.60 1pyc s LEU 62 Cb -0.31 -3.84 -0.07 0.00 0.03 0.00 0.00 46.19 42.00 1pyc s LEU 62 CO 0.36 -0.73 -0.06 -0.94 0.23 0.00 0.00 176.35 175.21 1pyc s SER 63 N -4.16 3.72 0.73 2.29 1.04 -1.26 -4.68 113.70 111.37 1pyc s SER 63 Ca 0.50 -1.25 -0.03 0.00 0.48 0.00 0.00 55.95 55.65 1pyc s SER 63 Cb -0.10 -0.35 0.12 0.00 0.10 0.00 0.00 66.02 65.78 1pyc s SER 63 CO 0.46 -0.28 1.01 0.00 0.98 0.00 0.00 173.24 175.40 1pyc h THR 65 N -0.59 0.44 0.12 0.00 1.35 -1.79 -1.96 112.91 110.48 1pyc h THR 65 Ca -0.39 -1.27 -0.34 0.00 -0.55 0.00 0.00 66.41 63.86 1pyc h THR 65 Cb 1.27 1.94 -0.01 0.00 -1.73 0.00 0.00 68.15 69.62 1pyc h THR 65 CO 0.43 0.21 -1.78 0.40 -0.25 0.00 0.00 175.52 174.53 1pyc h ILE 66 N 0.00 0.87 0.00 6.82 2.04 -1.89 -3.29 117.51 122.06 1pyc h ILE 66 Ca -0.00 -2.55 -0.02 0.00 1.00 0.00 0.00 64.86 63.29 1pyc h ILE 66 Cb 0.92 2.63 -0.00 0.00 -0.74 0.00 0.00 36.82 39.63 1pyc h ILE 66 CO 0.03 0.82 -0.10 0.00 0.00 0.00 0.00 178.15 178.89 1pyc h ARG 68 N 0.00 0.00 0.06 0.00 2.43 -1.51 -1.13 114.38 114.23 1pyc h ARG 68 Ca -0.00 0.00 -0.15 0.00 -0.81 0.00 0.00 59.98 59.01 1pyc h ARG 68 Cb 0.71 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 30.27 1pyc h ARG 68 CO 0.01 0.53 -0.64 -0.22 -1.51 0.00 0.00 179.97 178.14 1pyc h LYS 69 N 0.00 0.33 0.00 0.20 3.64 -1.45 -3.32 116.57 115.96 1pyc h LYS 69 Ca -0.02 -0.43 -0.22 0.00 -1.27 0.00 0.00 60.65 58.71 1pyc h LYS 69 Cb 1.43 0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 33.36 1pyc h LYS 69 CO 0.07 1.15 -1.21 0.00 -2.27 0.00 0.00 179.45 177.19 1pyc h ARG 70 N -0.29 0.00 -3.23 1.90 2.47 -1.46 -3.48 114.38 110.29 1pyc h ARG 70 Ca -0.10 0.00 -0.06 0.00 -1.26 0.00 0.00 59.98 58.56 1pyc h ARG 70 Cb 1.42 0.00 0.04 0.00 -1.65 0.00 0.00 29.97 29.78 1pyc h ARG 70 CO 0.12 0.74 -0.18 1.17 0.56 0.00 0.00 179.97 182.39 1pyc n LYS 71 N -3.21 -0.88 -3.94 0.04 3.00 -0.60 -5.08 118.16 107.49 1pyc n LYS 71 Ca -0.06 0.19 -0.21 0.00 -0.00 0.00 0.00 58.31 58.23 1pyc n LYS 71 Cb 0.95 -2.76 -0.03 0.00 0.00 0.00 0.00 35.03 33.19 1pyc n LYS 71 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 1pyc s VAL 72 N -3.08 4.52 -0.49 3.15 1.01 -0.53 -5.04 120.40 119.95 1pyc s VAL 72 Ca 0.06 -1.22 -0.22 0.00 0.00 0.00 0.00 61.98 60.60 1pyc s VAL 72 Cb -0.01 -3.52 0.04 0.00 0.00 0.00 0.00 36.38 32.89 1pyc s VAL 72 CO 0.16 -0.29 0.78 -0.54 0.00 0.00 0.00 175.10 175.21 1pyc s LYS 73 N -3.95 3.32 0.99 2.72 3.01 -1.26 -4.64 119.74 119.93 1pyc s LYS 73 Ca 0.36 -0.32 -0.13 0.00 -1.01 0.00 0.00 55.97 54.88 1pyc s LYS 73 Cb -0.08 -4.00 0.18 0.00 -1.01 0.00 0.00 37.83 32.92 1pyc s LYS 73 CO 0.27 -1.22 1.11 0.00 0.51 0.00 0.00 175.35 176.02 1pyc n ASP 75 N -4.10 0.28 -0.61 0.00 9.92 -1.26 -5.02 116.55 115.76 1pyc n ASP 75 Ca 0.06 0.04 -0.05 0.00 -0.53 0.00 0.00 54.79 54.31 1pyc n ASP 75 Cb 0.58 -0.09 0.00 0.00 -0.64 0.00 0.00 41.12 40.97 1pyc n ASP 75 CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 1pyc n LYS 76 N -3.14 -0.54 -3.32 -1.24 3.00 -1.26 -5.04 118.16 106.61 1pyc n LYS 76 Ca -0.02 0.22 -0.38 0.00 -0.00 0.00 0.00 58.31 58.13 1pyc n LYS 76 Cb 0.42 -3.90 -0.06 0.00 0.00 0.00 0.00 35.03 31.50 1pyc n LYS 76 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.40 176.92 1pyc s LEU 77 N -1.47 4.42 0.40 3.14 0.05 -1.26 -5.05 118.68 118.91 1pyc s LEU 77 Ca 0.02 1.05 -0.22 0.00 0.05 0.00 0.00 54.13 55.02 1pyc s LEU 77 Cb -0.01 -2.77 -0.11 0.00 -2.05 0.00 0.00 46.19 41.25 1pyc s LEU 77 CO 0.02 0.17 0.93 -0.13 -0.55 0.00 0.00 176.35 176.79 1pyc s ARG 78 N -0.41 4.29 -0.09 1.48 1.81 -1.26 -3.57 118.95 121.19 1pyc s ARG 78 Ca 0.27 1.13 -0.13 0.00 -1.72 0.00 0.00 55.73 55.29 1pyc s ARG 78 Cb -0.17 -2.34 -0.11 0.00 -0.45 0.00 0.00 34.95 31.88 1pyc s ARG 78 CO 0.15 0.06 0.44 -1.00 -0.68 0.00 0.00 175.30 174.26 1pyc h PRO 79 N 2.23 -0.09 -6.23 3.54 0.13 -2.03 -3.48 132.00 126.06 1pyc h PRO 79 Ca -0.48 0.01 -0.58 0.00 -0.87 0.00 0.00 66.00 64.07 1pyc h PRO 79 Cb 1.18 0.02 -0.08 0.00 0.13 0.00 0.00 31.00 32.25 1pyc h PRO 79 CO 0.62 0.27 -0.59 -1.01 -0.23 0.00 0.00 178.00 177.06 1pyc s HIS 80 N -2.28 3.06 0.68 1.56 3.76 -1.23 -5.04 115.29 115.79 1pyc s HIS 80 Ca -0.08 -0.06 -0.11 0.00 -0.15 0.00 0.00 55.06 54.66 1pyc s HIS 80 Cb -0.01 -1.47 -0.00 0.00 1.11 0.00 0.00 32.58 32.21 1pyc s HIS 80 CO 0.30 0.52 1.07 0.00 -0.85 0.00 0.00 174.74 175.78 1pyc h GLN 82 N -0.56 0.00 0.44 0.00 4.20 -1.97 -1.09 115.11 116.13 1pyc h GLN 82 Ca -0.45 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.24 1pyc h GLN 82 Cb 1.23 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.01 1pyc h GLN 82 CO 0.62 0.00 -0.21 0.37 -0.67 0.00 0.00 178.83 178.94 1pyc h GLN 83 N 0.00 -0.57 0.00 1.46 4.15 -1.94 -3.19 115.11 115.02 1pyc h GLN 83 Ca 0.00 0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.46 1pyc h GLN 83 Cb 0.22 0.13 0.00 0.00 0.21 0.00 0.00 27.48 28.04 1pyc h GLN 83 CO 0.00 -0.38 0.00 0.00 -1.93 0.00 0.00 178.83 176.52 1pyc h THR 85 N 0.00 1.42 0.00 0.00 2.02 -1.34 -1.94 112.91 113.08 1pyc h THR 85 Ca 0.00 -2.42 -0.12 0.00 0.77 0.00 0.00 66.41 64.64 1pyc h THR 85 Cb 0.30 2.93 -0.02 0.00 -1.74 0.00 0.00 68.15 69.62 1pyc h THR 85 CO 0.00 0.70 -0.58 0.11 0.37 0.00 0.00 175.52 176.12 1pyc h LYS 86 N -0.12 0.00 0.00 6.66 1.57 -1.46 -3.29 116.57 119.93 1pyc h LYS 86 Ca -0.15 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.62 1pyc h LYS 86 Cb 1.66 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.97 1pyc h LYS 86 CO 0.17 0.58 -0.07 1.15 -0.57 0.00 0.00 179.45 180.71 1pyc h THR 87 N 0.00 0.99 0.00 -0.16 2.02 -1.27 -3.49 112.91 111.01 1pyc h THR 87 Ca -0.01 -1.77 0.00 0.00 0.77 0.00 0.00 66.41 65.41 1pyc h THR 87 Cb 1.43 1.90 0.00 0.00 -1.74 0.00 0.00 68.15 69.74 1pyc h THR 87 CO 0.08 0.34 0.00 0.61 0.37 0.00 0.00 175.52 176.91 1pyc n GLY 88 N 1.67 1.69 2.43 2.16 0.00 -0.79 -5.01 105.19 107.34 1pyc n GLY 88 Ca -0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.60 1pyc n GLY 88 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1pyc n VAL 89 N -0.58 3.50 0.33 1.61 0.24 -0.82 -4.66 118.33 117.94 1pyc n VAL 89 Ca 0.00 -3.39 0.15 0.00 -2.04 0.00 0.00 64.34 59.07 1pyc n VAL 89 Cb 0.00 -1.18 0.62 0.00 -1.47 0.00 0.00 33.84 31.81 1pyc n VAL 89 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1pyc h ALA 90 N 2.24 1.00 -0.34 2.33 0.00 -1.76 0.70 119.26 123.43 1pyc h ALA 90 Ca 0.57 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.42 1pyc h ALA 90 Cb 0.71 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 1pyc h ALA 90 CO 1.47 0.00 -0.05 1.12 0.00 0.00 0.00 179.25 181.79 1pyc h HIS 91 N 0.00 0.58 -0.53 0.00 2.07 -1.88 -2.35 115.15 113.04 1pyc h HIS 91 Ca 0.00 -0.07 0.00 0.00 -2.85 0.00 0.00 60.37 57.45 1pyc h HIS 91 Cb 0.45 -0.16 0.00 0.00 2.57 0.00 0.00 27.41 30.27 1pyc h HIS 91 CO 0.00 0.60 0.00 1.28 -3.07 0.00 0.00 177.93 176.74 1pyc n LEU 92 N -4.24 4.33 -4.47 6.12 4.77 0.21 -4.78 117.00 118.93 1pyc n LEU 92 Ca 0.01 -2.19 -0.43 0.00 -0.03 0.00 0.00 56.01 53.37 1pyc n LEU 92 Cb 0.28 -0.57 -0.09 0.00 -2.33 0.00 0.00 43.42 40.71 1pyc n LEU 92 CO 0.40 0.66 0.03 0.00 -1.33 0.00 0.00 177.39 177.15 1pyc s HIS 94 N 1.94 -0.49 0.21 0.00 3.76 -1.26 -4.96 115.29 114.49 1pyc s HIS 94 Ca 0.09 1.10 -0.15 0.00 -0.15 0.00 0.00 55.06 55.94 1pyc s HIS 94 Cb -0.18 0.18 -0.08 0.00 1.11 0.00 0.00 32.58 33.62 1pyc s HIS 94 CO 0.12 -0.28 0.63 0.71 -0.85 0.00 0.00 174.74 175.08 1pyc s TYR 95 N 1.03 3.56 0.12 1.40 2.02 -1.26 -2.96 117.35 121.26 1pyc s TYR 95 Ca -0.07 1.16 -0.31 0.00 -0.37 0.00 0.00 57.07 57.49 1pyc s TYR 95 Cb -0.07 -2.46 -0.07 0.00 -0.40 0.00 0.00 41.96 38.96 1pyc s TYR 95 CO -0.08 0.33 1.30 -1.64 -1.57 0.00 0.00 175.55 173.88 1pyc s MET 96 N -2.23 4.39 0.03 -0.62 -1.94 -1.23 -4.54 119.30 113.14 1pyc s MET 96 Ca 0.43 1.96 0.00 0.00 -1.71 0.00 0.00 55.69 56.37 1pyc s MET 96 Cb -0.14 -3.26 0.00 0.00 2.01 0.00 0.00 34.83 33.43 1pyc s MET 96 CO 0.20 -0.31 0.00 -1.91 -0.01 0.00 0.00 175.02 172.99 1pyc n GLU 97 N 3.51 -1.57 -1.19 2.03 2.13 -1.26 -4.96 120.64 119.32 1pyc n GLU 97 Ca 0.09 1.48 -0.16 0.00 0.66 0.00 0.00 57.16 59.23 1pyc n GLU 97 Cb 0.44 -1.54 0.14 0.00 0.27 0.00 0.00 31.44 30.75 1pyc n GLU 97 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 1pyc n GLN 98 N 0.54 2.38 0.02 5.31 6.02 -1.26 -4.26 117.38 126.12 1pyc n GLN 98 Ca 0.00 -3.38 0.09 0.00 -0.01 0.00 0.00 57.00 53.70 1pyc n GLN 98 Cb 0.00 -2.03 -0.12 0.00 1.02 0.00 0.00 30.24 29.11 1pyc n GLN 98 CO 0.00 0.00 0.00 -2.37 -1.01 0.00 0.00 177.06 173.68 1pyc n THR 99 N -1.01 0.35 1.28 5.09 5.66 -1.26 -5.22 114.28 119.17 1pyc n THR 99 Ca 0.44 -0.55 0.10 0.00 -3.05 0.00 0.00 64.05 60.99 1pyc n THR 99 Cb 1.04 -0.18 0.61 0.00 -1.55 0.00 0.00 70.33 70.25 1pyc n THR 99 CO 0.00 0.00 0.00 0.79 -3.05 0.00 0.00 175.07 172.81