#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 4.46 0.41 0.38 0.02 -1.26 -5.02 135.00 133.99 1pyc s PRO 61 Ca 0.00 1.94 -0.12 0.00 0.02 0.00 0.00 61.00 62.85 1pyc s PRO 61 Cb 0.00 -3.22 -0.07 0.00 0.02 0.00 0.00 34.50 31.24 1pyc s PRO 61 CO 0.00 -0.13 0.79 -0.51 -0.33 0.00 0.00 177.00 176.81 1pyc s LEU 62 N -0.32 3.84 0.43 -5.54 1.43 -1.26 -4.98 118.68 112.28 1pyc s LEU 62 Ca 0.53 1.19 0.06 0.00 -1.03 0.00 0.00 54.13 54.89 1pyc s LEU 62 Cb -0.34 -4.07 -0.06 0.00 0.03 0.00 0.00 46.19 41.75 1pyc s LEU 62 CO 0.38 -0.39 0.03 -0.44 0.23 0.00 0.00 176.35 176.16 1pyc s SER 63 N -3.04 3.99 0.76 2.29 0.01 -1.26 -4.69 113.70 111.76 1pyc s SER 63 Ca 0.52 -1.40 -0.11 0.00 1.31 0.00 0.00 55.95 56.27 1pyc s SER 63 Cb -0.10 -0.22 0.05 0.00 0.21 0.00 0.00 66.02 65.97 1pyc s SER 63 CO 0.30 -0.55 1.14 0.00 0.41 0.00 0.00 173.24 174.54 1pyc h THR 65 N -0.88 1.33 0.11 0.00 1.03 -1.81 -1.52 112.91 111.17 1pyc h THR 65 Ca -0.46 -1.86 -0.27 0.00 -0.01 0.00 0.00 66.41 63.81 1pyc h THR 65 Cb 1.30 1.84 0.01 0.00 -1.07 0.00 0.00 68.15 70.23 1pyc h THR 65 CO 0.65 0.57 -1.19 0.40 -0.01 0.00 0.00 175.52 175.94 1pyc h ILE 66 N 0.40 1.45 0.00 0.00 5.03 -1.86 -3.17 117.51 119.36 1pyc h ILE 66 Ca -0.00 -2.86 -0.03 0.00 -0.12 0.00 0.00 64.86 61.84 1pyc h ILE 66 Cb 1.14 2.82 -0.00 0.00 -3.03 0.00 0.00 36.82 37.74 1pyc h ILE 66 CO 0.11 0.84 -0.16 0.00 -0.68 0.00 0.00 178.15 178.26 1pyc h ARG 68 N 0.00 0.00 0.01 0.00 2.43 -1.37 -1.57 114.38 113.88 1pyc h ARG 68 Ca -0.00 0.00 -0.15 0.00 -0.81 0.00 0.00 59.98 59.02 1pyc h ARG 68 Cb 0.80 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.36 1pyc h ARG 68 CO 0.02 0.03 -0.57 -0.22 -1.51 0.00 0.00 179.97 177.72 1pyc h LYS 69 N 0.00 0.38 0.06 0.20 1.63 -1.34 -3.28 116.57 114.21 1pyc h LYS 69 Ca -0.01 -0.41 -0.24 0.00 -0.85 0.00 0.00 60.65 59.14 1pyc h LYS 69 Cb 1.04 0.12 0.00 0.00 -0.60 0.00 0.00 32.23 32.79 1pyc h LYS 69 CO 0.00 1.09 -1.08 0.00 -3.45 0.00 0.00 179.45 176.02 1pyc h ARG 70 N -0.17 0.30 -3.64 1.90 2.47 -1.53 -3.49 114.38 110.22 1pyc h ARG 70 Ca -0.07 -0.41 0.00 0.00 -1.26 0.00 0.00 59.98 58.24 1pyc h ARG 70 Cb 1.30 0.14 0.00 0.00 -1.65 0.00 0.00 29.97 29.75 1pyc h ARG 70 CO 0.11 1.14 -0.14 1.17 0.56 0.00 0.00 179.97 182.80 1pyc n LYS 71 N -3.62 -0.68 -4.32 0.04 4.81 -0.66 -5.11 118.16 108.62 1pyc n LYS 71 Ca -0.07 0.96 -0.17 0.00 -0.87 0.00 0.00 58.31 58.17 1pyc n LYS 71 Cb 0.92 -2.67 -0.10 0.00 0.02 0.00 0.00 35.03 33.20 1pyc n LYS 71 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 1pyc s VAL 72 N -1.43 1.39 -0.19 3.15 -7.23 -0.79 -5.04 120.40 110.25 1pyc s VAL 72 Ca 0.07 -2.11 -0.29 0.00 -1.81 0.00 0.00 61.98 57.84 1pyc s VAL 72 Cb -0.02 -2.07 0.00 0.00 0.56 0.00 0.00 36.38 34.85 1pyc s VAL 72 CO 0.22 -0.57 1.01 -0.54 -0.31 0.00 0.00 175.10 174.91 1pyc s LYS 73 N -3.73 4.31 0.79 4.82 -0.14 -1.26 -4.69 119.74 119.84 1pyc s LYS 73 Ca 0.22 1.34 -0.09 0.00 -1.36 0.00 0.00 55.97 56.08 1pyc s LYS 73 Cb 0.02 -3.60 0.17 0.00 -1.68 0.00 0.00 37.83 32.74 1pyc s LYS 73 CO 0.05 -0.51 1.07 0.00 -0.76 0.00 0.00 175.35 175.21 1pyc n ASP 75 N -3.43 0.20 -3.45 0.00 8.00 -1.26 -5.04 116.55 111.57 1pyc n ASP 75 Ca 0.15 0.00 -0.21 0.00 0.71 0.00 0.00 54.79 55.44 1pyc n ASP 75 Cb 0.52 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.63 1pyc n ASP 75 CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10 1pyc n LYS 76 N -2.40 -1.69 0.04 -1.24 -0.00 -1.26 -4.94 118.16 106.67 1pyc n LYS 76 Ca 0.00 1.24 -0.14 0.00 -0.00 0.00 0.00 58.31 59.41 1pyc n LYS 76 Cb 0.11 -3.41 -0.14 0.00 -0.00 0.00 0.00 35.03 31.59 1pyc n LYS 76 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 1pyc h LEU 77 N 0.70 0.25 -0.43 -5.58 3.38 -1.95 -3.51 115.31 108.17 1pyc h LEU 77 Ca -0.40 -0.39 0.00 0.00 0.09 0.00 0.00 57.88 57.18 1pyc h LEU 77 Cb 1.27 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.93 1pyc h LEU 77 CO 0.30 1.33 -0.37 0.54 0.09 0.00 0.00 178.44 180.33 1pyc n ARG 78 N -3.35 -1.93 0.05 1.13 1.74 -1.26 -4.93 116.66 108.12 1pyc n ARG 78 Ca -0.16 1.42 -0.07 0.00 -0.77 0.00 0.00 57.85 58.28 1pyc n ARG 78 Cb 1.03 -1.58 -0.11 0.00 -1.02 0.00 0.00 32.46 30.77 1pyc n ARG 78 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 1pyc h PRO 79 N 0.87 0.00 -6.01 5.56 0.13 -1.98 -3.47 132.00 127.10 1pyc h PRO 79 Ca 0.00 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.53 1pyc h PRO 79 Cb 0.00 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.09 1pyc h PRO 79 CO 0.00 0.91 -0.51 -3.38 -0.23 0.00 0.00 178.00 174.79 1pyc s HIS 80 N -2.71 3.43 0.55 1.56 -3.43 -1.26 -4.80 115.29 108.63 1pyc s HIS 80 Ca 0.00 0.17 0.07 0.00 -0.80 0.00 0.00 55.06 54.50 1pyc s HIS 80 Cb 0.10 -1.69 0.06 0.00 -1.43 0.00 0.00 32.58 29.61 1pyc s HIS 80 CO 0.82 0.55 0.58 0.00 -2.00 0.00 0.00 174.74 174.69 1pyc h GLN 82 N 0.51 0.00 0.52 0.00 4.20 -1.97 -0.96 115.11 117.41 1pyc h GLN 82 Ca -0.34 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.35 1pyc h GLN 82 Cb 1.29 0.00 0.01 0.00 0.30 0.00 0.00 27.48 29.08 1pyc h GLN 82 CO 0.50 0.09 -0.25 1.96 -0.67 0.00 0.00 178.83 180.46 1pyc h GLN 83 N 0.00 -0.68 -0.05 1.46 1.08 -1.95 -3.22 115.11 111.75 1pyc h GLN 83 Ca -0.00 0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.25 1pyc h GLN 83 Cb 0.60 0.15 0.00 0.00 -0.05 0.00 0.00 27.48 28.18 1pyc h GLN 83 CO 0.01 -0.44 0.00 0.00 -0.95 0.00 0.00 178.83 177.46 1pyc h THR 85 N 0.83 1.38 -0.07 0.00 2.02 -1.29 -0.12 112.91 115.66 1pyc h THR 85 Ca 0.00 -2.45 -0.19 0.00 0.77 0.00 0.00 66.41 64.54 1pyc h THR 85 Cb 0.18 2.46 0.01 0.00 -1.74 0.00 0.00 68.15 69.06 1pyc h THR 85 CO 0.00 0.74 -0.70 0.50 0.37 0.00 0.00 175.52 176.42 1pyc h LYS 86 N 0.25 0.60 0.00 6.66 3.64 -1.35 -3.28 116.57 123.09 1pyc h LYS 86 Ca -0.10 -0.55 -0.23 0.00 -1.27 0.00 0.00 60.65 58.50 1pyc h LYS 86 Cb 1.64 0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 33.55 1pyc h LYS 86 CO 0.18 1.17 -1.45 0.00 -2.27 0.00 0.00 179.45 177.07 1pyc h THR 87 N 0.22 0.84 -0.23 1.00 1.03 -1.54 -3.48 112.91 110.76 1pyc h THR 87 Ca -0.07 -2.54 0.00 0.00 -0.01 0.00 0.00 66.41 63.79 1pyc h THR 87 Cb 1.36 2.35 0.00 0.00 -1.07 0.00 0.00 68.15 70.79 1pyc h THR 87 CO 0.14 0.48 0.00 0.61 -0.01 0.00 0.00 175.52 176.74 1pyc n GLY 88 N 1.46 1.03 2.66 2.99 0.00 -0.66 -4.98 105.19 107.69 1pyc n GLY 88 Ca -0.11 -0.17 -0.33 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.70 3.03 0.20 1.61 0.24 -0.15 -4.52 118.33 118.04 1pyc n VAL 89 Ca 0.00 -4.50 0.10 0.00 -2.04 0.00 0.00 64.34 57.90 1pyc n VAL 89 Cb 0.12 -1.24 0.16 0.00 -1.47 0.00 0.00 33.84 31.41 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 2.73 0.92 -0.58 2.33 0.00 -1.90 0.71 119.26 123.48 1pyc h ALA 90 Ca 0.45 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.21 1pyc h ALA 90 Cb 0.51 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 1pyc h ALA 90 CO 1.17 0.16 0.24 1.12 0.00 0.00 0.00 179.25 181.93 1pyc h HIS 91 N 0.00 0.87 -0.31 0.00 2.07 -1.90 -2.16 115.15 113.72 1pyc h HIS 91 Ca -0.00 -0.06 0.00 0.00 -2.85 0.00 0.00 60.37 57.46 1pyc h HIS 91 Cb 1.07 -0.26 0.00 0.00 2.57 0.00 0.00 27.41 30.79 1pyc h HIS 91 CO 0.00 0.69 0.00 1.28 -3.07 0.00 0.00 177.93 176.83 1pyc n LEU 92 N -4.49 1.83 -4.51 6.12 4.77 -0.77 -4.82 117.00 115.13 1pyc n LEU 92 Ca 0.03 -0.89 -0.43 0.00 -0.03 0.00 0.00 56.01 54.70 1pyc n LEU 92 Cb 0.16 -0.21 -0.04 0.00 -2.33 0.00 0.00 43.42 41.00 1pyc n LEU 92 CO 0.38 0.44 0.75 0.00 -1.33 0.00 0.00 177.39 177.64 1pyc s HIS 94 N 3.99 -0.03 -0.17 0.00 3.76 -1.26 -4.90 115.29 116.67 1pyc s HIS 94 Ca 0.29 0.09 -0.05 0.00 -0.15 0.00 0.00 55.06 55.23 1pyc s HIS 94 Cb -0.13 -0.00 -0.03 0.00 1.11 0.00 0.00 32.58 33.52 1pyc s HIS 94 CO 0.17 -0.08 0.00 0.71 -0.85 0.00 0.00 174.74 174.69 1pyc s TYR 95 N -0.27 3.09 -0.28 1.40 1.51 -1.26 -2.73 117.35 118.81 1pyc s TYR 95 Ca -0.03 -0.22 -0.11 0.00 -1.01 0.00 0.00 57.07 55.70 1pyc s TYR 95 Cb -0.02 -2.02 0.11 0.00 -0.11 0.00 0.00 41.96 39.92 1pyc s TYR 95 CO 0.00 -0.02 0.62 0.00 -1.11 0.00 0.00 175.55 175.04 1pyc s MET 96 N 0.50 0.57 0.18 -0.62 0.23 -1.23 -5.00 119.30 113.92 1pyc s MET 96 Ca -0.01 1.34 0.00 0.00 -1.03 0.00 0.00 55.69 56.00 1pyc s MET 96 Cb -0.14 0.64 0.00 0.00 -1.53 0.00 0.00 34.83 33.80 1pyc s MET 96 CO 0.02 -0.19 0.00 -1.91 -2.03 0.00 0.00 175.02 170.91 1pyc n GLU 97 N 5.18 -5.72 -0.03 3.16 4.07 -1.26 -4.75 120.64 121.29 1pyc n GLU 97 Ca -0.14 4.05 -0.01 0.00 -0.06 0.00 0.00 57.16 61.01 1pyc n GLU 97 Cb 0.51 -4.51 -0.00 0.00 -0.06 0.00 0.00 31.44 27.38 1pyc n GLU 97 CO 0.00 0.00 0.00 0.37 -0.06 0.00 0.00 177.13 177.44 1pyc h GLN 98 N 4.46 0.00 -4.77 5.31 4.15 -1.93 -3.44 115.11 118.88 1pyc h GLN 98 Ca 0.00 0.00 -0.70 0.00 0.77 0.00 0.00 58.65 58.72 1pyc h GLN 98 Cb 0.00 0.00 -0.19 0.00 0.21 0.00 0.00 27.48 27.50 1pyc h GLN 98 CO 0.00 0.00 -0.05 -0.08 -1.93 0.00 0.00 178.83 176.77 1pyc s THR 99 N -1.35 4.97 -2.05 2.39 -1.32 -1.26 -5.16 115.64 111.86 1pyc s THR 99 Ca -0.02 -0.68 0.32 0.00 -1.21 0.00 0.00 61.69 60.09 1pyc s THR 99 Cb 0.00 -4.27 0.87 0.00 -1.51 0.00 0.00 72.50 67.60 1pyc s THR 99 CO 0.03 -0.77 2.18 0.79 -2.21 0.00 0.00 174.62 174.64