#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 4.47 0.22 0.38 0.02 -1.26 -4.96 135.00 133.87 1pyc s PRO 61 Ca 0.00 1.98 -0.30 0.00 0.02 0.00 0.00 61.00 62.70 1pyc s PRO 61 Cb 0.00 -3.18 -0.09 0.00 0.02 0.00 0.00 34.50 31.25 1pyc s PRO 61 CO 0.00 -0.08 1.33 -0.51 -0.33 0.00 0.00 177.00 177.41 1pyc s LEU 62 N -0.88 4.41 0.33 -5.54 2.01 -1.26 -5.02 118.68 112.73 1pyc s LEU 62 Ca 0.51 2.46 0.09 0.00 0.01 0.00 0.00 54.13 57.20 1pyc s LEU 62 Cb -0.35 -3.62 -0.05 0.00 0.01 0.00 0.00 46.19 42.18 1pyc s LEU 62 CO 0.42 -0.55 -0.01 -0.44 1.01 0.00 0.00 176.35 176.78 1pyc s SER 63 N 0.26 4.13 0.76 2.29 0.01 -1.26 -4.41 113.70 115.49 1pyc s SER 63 Ca 0.56 -0.99 -0.09 0.00 1.31 0.00 0.00 55.95 56.75 1pyc s SER 63 Cb -0.38 -0.52 0.07 0.00 0.21 0.00 0.00 66.02 65.40 1pyc s SER 63 CO 0.40 -0.20 1.09 0.00 0.41 0.00 0.00 173.24 174.94 1pyc h THR 65 N -0.83 1.37 0.10 0.00 1.35 -1.69 -1.99 112.91 111.23 1pyc h THR 65 Ca -0.45 -1.89 -0.31 0.00 -0.55 0.00 0.00 66.41 63.21 1pyc h THR 65 Cb 1.32 1.94 -0.01 0.00 -1.73 0.00 0.00 68.15 69.67 1pyc h THR 65 CO 0.62 0.56 -1.61 0.40 -0.25 0.00 0.00 175.52 175.24 1pyc h ILE 66 N 0.17 1.05 0.00 6.82 2.04 -1.86 -3.37 117.51 122.35 1pyc h ILE 66 Ca -0.00 -2.73 -0.04 0.00 1.00 0.00 0.00 64.86 63.09 1pyc h ILE 66 Cb 1.04 2.68 -0.01 0.00 -0.74 0.00 0.00 36.82 39.80 1pyc h ILE 66 CO 0.09 0.79 -0.19 0.00 0.00 0.00 0.00 178.15 178.83 1pyc h ARG 68 N 0.00 0.00 -0.00 0.00 2.43 -1.54 -1.66 114.38 113.61 1pyc h ARG 68 Ca -0.00 0.00 -0.22 0.00 -0.81 0.00 0.00 59.98 58.94 1pyc h ARG 68 Cb 0.60 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 30.17 1pyc h ARG 68 CO 0.02 0.81 -0.88 0.87 -1.51 0.00 0.00 179.97 179.29 1pyc h LYS 69 N 0.00 0.59 -0.01 0.20 1.57 -1.51 -3.24 116.57 114.18 1pyc h LYS 69 Ca -0.01 -0.64 -0.21 0.00 -1.87 0.00 0.00 60.65 57.92 1pyc h LYS 69 Cb 1.50 0.18 -0.00 0.00 0.08 0.00 0.00 32.23 33.99 1pyc h LYS 69 CO 0.11 1.25 -0.90 0.00 -0.57 0.00 0.00 179.45 179.33 1pyc h ARG 70 N 0.21 0.33 -3.94 3.15 2.47 -1.51 -3.48 114.38 111.60 1pyc h ARG 70 Ca -0.11 -0.35 -0.11 0.00 -1.26 0.00 0.00 59.98 58.16 1pyc h ARG 70 Cb 1.55 0.10 0.08 0.00 -1.65 0.00 0.00 29.97 30.05 1pyc h ARG 70 CO 0.17 1.03 -0.35 1.17 0.56 0.00 0.00 179.97 182.56 1pyc n LYS 71 N -3.72 -1.18 -3.69 0.04 3.00 -0.67 -5.08 118.16 106.87 1pyc n LYS 71 Ca -0.05 0.36 -0.20 0.00 -0.00 0.00 0.00 58.31 58.41 1pyc n LYS 71 Cb 0.81 -3.38 -0.02 0.00 0.00 0.00 0.00 35.03 32.45 1pyc n LYS 71 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.40 177.54 1pyc s VAL 72 N -3.16 4.09 -0.50 3.15 -7.23 -0.94 -5.05 120.40 110.77 1pyc s VAL 72 Ca 0.16 -1.14 -0.28 0.00 -1.81 0.00 0.00 61.98 58.91 1pyc s VAL 72 Cb -0.02 -3.40 0.03 0.00 0.56 0.00 0.00 36.38 33.55 1pyc s VAL 72 CO 0.31 -0.20 1.12 -0.75 -0.31 0.00 0.00 175.10 175.27 1pyc s LYS 73 N -4.07 3.66 0.68 4.82 2.47 -1.26 -4.73 119.74 121.30 1pyc s LYS 73 Ca 0.41 0.45 -0.10 0.00 -1.56 0.00 0.00 55.97 55.17 1pyc s LYS 73 Cb -0.08 -3.93 0.01 0.00 -1.46 0.00 0.00 37.83 32.37 1pyc s LYS 73 CO 0.29 -1.42 1.04 0.00 0.16 0.00 0.00 175.35 175.42 1pyc n ASP 75 N -2.89 0.69 -1.63 0.00 8.00 -1.26 -4.97 116.55 114.48 1pyc n ASP 75 Ca 0.06 0.09 -0.04 0.00 0.71 0.00 0.00 54.79 55.62 1pyc n ASP 75 Cb 0.57 -0.22 0.02 0.00 -0.02 0.00 0.00 41.12 41.47 1pyc n ASP 75 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1pyc n LYS 76 N -3.34 -1.18 -0.04 -1.24 0.00 -1.26 -4.93 118.16 106.16 1pyc n LYS 76 Ca -0.02 0.19 -0.13 0.00 0.00 0.00 0.00 58.31 58.35 1pyc n LYS 76 Cb 0.26 -3.01 -0.07 0.00 0.00 0.00 0.00 35.03 32.21 1pyc n LYS 76 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.40 178.65 1pyc h LEU 77 N -0.37 0.25 -1.47 3.14 7.12 -1.96 -3.50 115.31 118.53 1pyc h LEU 77 Ca -0.13 -0.41 0.00 0.00 0.13 0.00 0.00 57.88 57.46 1pyc h LEU 77 Cb 1.07 -0.07 0.00 0.00 -0.53 0.00 0.00 40.66 41.13 1pyc h LEU 77 CO 0.11 0.61 -0.21 0.54 -0.13 0.00 0.00 178.44 179.35 1pyc n ARG 78 N -4.70 -1.20 -0.07 1.25 5.12 -1.26 -4.95 116.66 110.86 1pyc n ARG 78 Ca -0.06 1.24 -0.09 0.00 -1.93 0.00 0.00 57.85 57.01 1pyc n ARG 78 Cb 0.28 -1.15 -0.07 0.00 -1.16 0.00 0.00 32.46 30.36 1pyc n ARG 78 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 1pyc h PRO 79 N 0.94 0.00 -6.35 5.56 0.13 -2.06 -3.49 132.00 126.73 1pyc h PRO 79 Ca 0.00 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 64.51 1pyc h PRO 79 Cb 0.00 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 30.98 1pyc h PRO 79 CO 0.00 0.50 -0.75 -1.01 -0.23 0.00 0.00 178.00 176.51 1pyc s HIS 80 N -2.00 2.41 0.73 1.56 3.76 -1.26 -5.03 115.29 115.46 1pyc s HIS 80 Ca -0.13 -0.30 -0.04 0.00 -0.15 0.00 0.00 55.06 54.43 1pyc s HIS 80 Cb -0.00 -1.11 0.11 0.00 1.11 0.00 0.00 32.58 32.69 1pyc s HIS 80 CO 0.36 0.62 1.02 0.00 -0.85 0.00 0.00 174.74 175.89 1pyc h GLN 82 N -0.64 0.00 0.04 0.00 4.20 -2.00 -0.91 115.11 115.81 1pyc h GLN 82 Ca -0.40 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.30 1pyc h GLN 82 Cb 1.28 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.06 1pyc h GLN 82 CO 0.46 0.00 -0.02 0.37 -0.67 0.00 0.00 178.83 178.97 1pyc h GLN 83 N 0.00 -0.06 -0.00 1.46 4.15 -1.94 -3.37 115.11 115.35 1pyc h GLN 83 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1pyc h GLN 83 Cb 0.28 0.01 0.00 0.00 0.21 0.00 0.00 27.48 27.98 1pyc h GLN 83 CO 0.00 0.11 -0.14 0.00 -1.93 0.00 0.00 178.83 176.87 1pyc h THR 85 N 0.12 1.51 -0.11 0.00 2.02 -1.39 -0.17 112.91 114.90 1pyc h THR 85 Ca 0.00 -2.87 -0.13 0.00 0.77 0.00 0.00 66.41 64.18 1pyc h THR 85 Cb 0.45 2.70 0.01 0.00 -1.74 0.00 0.00 68.15 69.56 1pyc h THR 85 CO 0.00 0.84 -0.44 0.11 0.37 0.00 0.00 175.52 176.40 1pyc h LYS 86 N 0.10 0.49 0.00 6.66 1.79 -1.64 -3.30 116.57 120.67 1pyc h LYS 86 Ca -0.08 -0.38 0.00 0.00 -2.18 0.00 0.00 60.65 58.01 1pyc h LYS 86 Cb 1.74 0.07 0.00 0.00 -1.58 0.00 0.00 32.23 32.46 1pyc h LYS 86 CO 0.17 1.01 -1.25 -2.37 -1.08 0.00 0.00 179.45 175.93 1pyc n THR 87 N -4.28 0.16 -0.91 -0.16 5.66 -0.87 -4.95 114.28 108.92 1pyc n THR 87 Ca -0.08 -0.31 0.00 0.00 -3.05 0.00 0.00 64.05 60.61 1pyc n THR 87 Cb 0.57 0.19 0.00 0.00 -1.55 0.00 0.00 70.33 69.53 1pyc n THR 87 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1pyc n GLY 88 N 1.34 1.10 2.24 1.09 0.00 -0.61 -4.98 105.19 105.36 1pyc n GLY 88 Ca 0.01 -0.29 -0.30 0.00 0.00 0.00 0.00 46.02 45.43 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 -1.32 3.12 0.17 1.61 0.24 -0.17 -4.61 118.33 117.36 1pyc n VAL 89 Ca 0.00 -3.64 0.05 0.00 -2.04 0.00 0.00 64.34 58.71 1pyc n VAL 89 Cb 0.19 -1.16 0.19 0.00 -1.47 0.00 0.00 33.84 31.59 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 2.16 0.82 -0.48 2.33 0.00 -1.80 0.25 119.26 122.54 1pyc h ALA 90 Ca 0.49 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1pyc h ALA 90 Cb 1.07 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 1pyc h ALA 90 CO 1.21 0.51 0.28 1.12 0.00 0.00 0.00 179.25 182.36 1pyc h HIS 91 N 0.00 0.65 -0.04 0.00 2.07 -1.91 -2.46 115.15 113.46 1pyc h HIS 91 Ca -0.00 -0.01 0.00 0.00 -2.85 0.00 0.00 60.37 57.51 1pyc h HIS 91 Cb 1.14 -0.21 0.00 0.00 2.57 0.00 0.00 27.41 30.91 1pyc h HIS 91 CO 0.00 0.47 0.00 1.28 -3.07 0.00 0.00 177.93 176.61 1pyc n LEU 92 N -4.69 1.28 -3.46 6.12 4.77 -0.75 -4.72 117.00 115.55 1pyc n LEU 92 Ca 0.02 -0.45 -0.28 0.00 -0.03 0.00 0.00 56.01 55.27 1pyc n LEU 92 Cb 0.07 -0.02 -0.12 0.00 -2.33 0.00 0.00 43.42 41.02 1pyc n LEU 92 CO 0.36 0.22 -0.31 0.00 -1.33 0.00 0.00 177.39 176.33 1pyc s HIS 94 N 1.25 2.25 0.48 0.00 3.76 -1.26 -4.61 115.29 117.17 1pyc s HIS 94 Ca 0.17 -0.38 -0.19 0.00 -0.15 0.00 0.00 55.06 54.50 1pyc s HIS 94 Cb -0.22 -1.22 -0.09 0.00 1.11 0.00 0.00 32.58 32.17 1pyc s HIS 94 CO -0.05 0.33 1.00 0.71 -0.85 0.00 0.00 174.74 175.89 1pyc s TYR 95 N -1.08 3.16 0.49 1.40 2.02 -1.26 -1.91 117.35 120.17 1pyc s TYR 95 Ca 0.13 1.56 -0.20 0.00 -0.37 0.00 0.00 57.07 58.19 1pyc s TYR 95 Cb -0.10 -2.95 -0.08 0.00 -0.40 0.00 0.00 41.96 38.43 1pyc s TYR 95 CO 0.06 -0.56 1.06 -1.64 -1.57 0.00 0.00 175.55 172.89 1pyc s MET 96 N -3.44 3.73 5.55 -0.62 -1.94 -1.15 -4.59 119.30 116.84 1pyc s MET 96 Ca 0.64 1.42 0.00 0.00 -1.71 0.00 0.00 55.69 56.04 1pyc s MET 96 Cb -0.13 -2.10 0.00 0.00 2.01 0.00 0.00 34.83 34.61 1pyc s MET 96 CO 0.21 -0.50 0.00 0.39 -0.01 0.00 0.00 175.02 175.11 1pyc n GLU 97 N -0.99 0.00 -3.05 2.03 4.71 -1.26 -4.89 120.64 117.20 1pyc n GLU 97 Ca 0.10 0.00 -0.13 0.00 -0.01 0.00 0.00 57.16 57.12 1pyc n GLU 97 Cb 0.52 0.00 0.06 0.00 -1.01 0.00 0.00 31.44 31.01 1pyc n GLU 97 CO 0.00 0.00 0.00 1.04 0.09 0.00 0.00 177.13 178.26 1pyc n GLN 98 N 0.00 -4.82 -0.03 3.49 6.02 -1.26 -4.92 117.38 115.86 1pyc n GLN 98 Ca 0.00 0.60 -0.02 0.00 -0.01 0.00 0.00 57.00 57.57 1pyc n GLN 98 Cb 0.00 -4.88 -0.05 0.00 1.02 0.00 0.00 30.24 26.33 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 -3.36 0.34 1.92 5.09 5.66 -1.26 -5.19 114.28 117.48 1pyc n THR 99 Ca -0.18 -0.25 0.15 0.00 -3.05 0.00 0.00 64.05 60.73 1pyc n THR 99 Cb 0.61 -0.55 0.91 0.00 -1.55 0.00 0.00 70.33 69.75 1pyc n THR 99 CO 0.00 0.00 0.00 -2.67 -3.05 0.00 0.00 175.07 169.35