#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fbn s SER 17 N 0.00 5.73 0.70 3.42 1.04 -1.26 -5.08 113.70 118.25 3fbn s SER 17 Ca 0.00 -0.28 -0.17 0.00 0.48 0.00 0.00 55.95 55.99 3fbn s SER 17 Cb 0.00 -1.22 -0.06 0.00 0.10 0.00 0.00 66.02 64.84 3fbn s SER 17 CO 0.00 -0.33 0.37 -2.65 0.98 0.00 0.00 173.24 171.61 3fbn n PRO 18 N -1.48 0.26 0.20 4.02 -0.02 -1.26 -4.91 135.00 131.81 3fbn n PRO 18 Ca -0.02 0.12 0.12 0.00 -2.02 0.00 0.00 63.50 61.70 3fbn n PRO 18 Cb 0.59 -1.67 0.15 0.00 -0.02 0.00 0.00 33.50 32.54 3fbn n PRO 18 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3fbn h SER 19 N -0.32 0.00 0.00 2.55 4.64 -2.05 -3.29 113.55 115.08 3fbn h SER 19 Ca -0.45 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 3fbn h SER 19 Cb 1.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.45 3fbn h SER 19 CO 0.42 0.00 0.14 1.88 -0.87 0.00 0.00 176.83 178.40 3fbn h TYR 20 N 0.00 0.00 -0.02 4.77 0.05 -1.99 -2.33 116.97 117.45 3fbn h TYR 20 Ca 0.00 0.00 0.01 0.00 0.05 0.00 0.00 58.73 58.79 3fbn h TYR 20 Cb 0.99 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.73 3fbn h TYR 20 CO 0.00 0.00 0.02 0.28 -1.05 0.00 0.00 178.16 177.41 3fbn h VAL 21 N 0.00 0.52 0.00 -2.88 2.07 -1.95 -2.50 116.25 111.51 3fbn h VAL 21 Ca 0.00 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.49 3fbn h VAL 21 Cb 0.29 0.98 -0.00 0.00 -1.52 0.00 0.00 31.29 31.04 3fbn h VAL 21 CO 0.00 0.00 -0.13 0.07 0.02 0.00 0.00 177.57 177.53 3fbn h LYS 22 N 0.00 0.00 -0.00 1.57 2.10 -1.72 -2.07 116.57 116.45 3fbn h LYS 22 Ca 0.01 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.66 3fbn h LYS 22 Cb 0.05 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.38 3fbn h LYS 22 CO -0.00 0.13 -0.14 1.19 -2.00 0.00 0.00 179.45 178.62 3fbn n PHE 23 N -3.55 0.00 -1.30 0.07 3.01 -0.94 -4.47 117.46 110.27 3fbn n PHE 23 Ca -0.01 0.00 -0.21 0.00 1.01 0.00 0.00 57.45 58.23 3fbn n PHE 23 Cb 0.26 -0.30 -0.10 0.00 -0.01 0.00 0.00 39.48 39.33 3fbn n PHE 23 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 3fbn n PHE 24 N -1.26 0.99 -2.07 1.38 3.01 -0.78 -4.77 117.46 113.95 3fbn n PHE 24 Ca 0.10 -1.77 -0.30 0.00 1.01 0.00 0.00 57.45 56.50 3fbn n PHE 24 Cb 0.30 -1.46 0.02 0.00 -0.01 0.00 0.00 39.48 38.33 3fbn n PHE 24 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 3fbn s THR 25 N -1.02 4.24 0.19 4.37 -4.23 -1.26 -4.97 115.64 112.96 3fbn s THR 25 Ca 0.62 0.53 -0.07 0.00 -1.18 0.00 0.00 61.69 61.58 3fbn s THR 25 Cb 0.36 -3.70 0.04 0.00 1.34 0.00 0.00 72.50 70.55 3fbn s THR 25 CO -0.14 -0.85 1.62 1.56 -0.54 0.00 0.00 174.62 176.27 3fbn h GLN 26 N -0.31 0.95 -0.32 3.99 1.08 -2.00 -2.57 115.11 115.93 3fbn h GLN 26 Ca -0.45 -0.35 0.07 0.00 -1.45 0.00 0.00 58.65 56.47 3fbn h GLN 26 Cb 1.22 -0.06 -0.08 0.00 -0.05 0.00 0.00 27.48 28.51 3fbn h GLN 26 CO 0.62 1.01 -0.24 1.03 -0.95 0.00 0.00 178.83 180.31 3fbn h SER 27 N 0.84 -0.79 -0.04 1.46 0.87 -1.96 -1.69 113.55 112.25 3fbn h SER 27 Ca 0.13 0.15 -0.10 0.00 -1.23 0.00 0.00 61.79 60.74 3fbn h SER 27 Cb 0.67 0.39 -0.01 0.00 -0.44 0.00 0.00 62.40 63.00 3fbn h SER 27 CO 0.05 -0.27 -0.28 0.78 -0.53 0.00 0.00 176.83 176.58 3fbn h ASN 28 N -0.21 0.48 -0.52 6.23 2.35 -1.83 -2.64 115.58 119.45 3fbn h ASN 28 Ca 0.16 -0.17 -0.02 0.00 -0.55 0.00 0.00 56.30 55.72 3fbn h ASN 28 Cb 0.46 -0.13 -0.03 0.00 0.05 0.00 0.00 38.32 38.67 3fbn h ASN 28 CO -0.44 0.75 0.26 -0.07 -1.65 0.00 0.00 177.43 176.27 3fbn h LEU 29 N 0.42 0.71 -0.72 1.61 3.38 -0.98 -1.43 115.31 118.29 3fbn h LEU 29 Ca 0.06 -0.07 -0.14 0.00 0.09 0.00 0.00 57.88 57.82 3fbn h LEU 29 Cb 0.70 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 3fbn h LEU 29 CO 0.05 0.61 -0.56 -0.33 0.09 0.00 0.00 178.44 178.31 3fbn h GLU 30 N 0.78 0.24 -0.00 1.13 5.08 -0.98 -2.83 114.58 118.00 3fbn h GLU 30 Ca 0.19 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 3fbn h GLU 30 Cb 0.10 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.37 3fbn h GLU 30 CO -0.02 0.73 -0.17 1.63 -1.00 0.00 0.00 179.01 180.18 3fbn n LYS 31 N -3.91 0.20 -0.14 2.33 5.02 -0.88 -4.15 118.16 116.63 3fbn n LYS 31 Ca -0.02 -0.06 -0.11 0.00 -2.02 0.00 0.00 58.31 56.10 3fbn n LYS 31 Cb 0.58 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 34.08 3fbn n LYS 31 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 3fbn h LEU 32 N 0.15 0.80 -0.02 -0.35 5.85 -1.01 -2.87 115.31 117.86 3fbn h LEU 32 Ca 0.00 -0.36 0.03 0.00 0.84 0.00 0.00 57.88 58.39 3fbn h LEU 32 Cb 0.45 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.22 3fbn h LEU 32 CO 0.00 0.98 -0.22 -0.65 -0.34 0.00 0.00 178.44 178.20 3fbn h PRO 33 N 0.60 -0.33 0.56 5.25 0.11 -1.73 0.56 132.00 137.02 3fbn h PRO 33 Ca 0.10 0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.22 3fbn h PRO 33 Cb 0.63 0.08 -0.02 0.00 0.11 0.00 0.00 31.00 31.80 3fbn h PRO 33 CO 0.04 -0.22 -0.51 0.87 -0.21 0.00 0.00 178.00 177.97 3fbn h LYS 34 N -0.34 -1.01 -0.94 1.05 1.57 -1.83 -2.38 116.57 112.68 3fbn h LYS 34 Ca 0.07 0.07 0.28 0.00 -1.87 0.00 0.00 60.65 59.19 3fbn h LYS 34 Cb 0.43 0.23 -0.16 0.00 0.08 0.00 0.00 32.23 32.81 3fbn h LYS 34 CO -0.21 -0.67 0.20 -0.92 -0.57 0.00 0.00 179.45 177.27 3fbn h TYR 35 N -1.05 0.27 -0.21 -1.35 3.20 -1.33 -1.19 116.97 115.32 3fbn h TYR 35 Ca -0.07 0.06 0.02 0.00 3.14 0.00 0.00 58.73 61.88 3fbn h TYR 35 Cb 0.90 0.03 -0.02 0.00 1.54 0.00 0.00 36.73 39.18 3fbn h TYR 35 CO -0.23 -0.34 0.06 0.87 -1.64 0.00 0.00 178.16 176.88 3fbn h LYS 36 N 0.10 0.15 0.01 1.82 1.57 -0.35 -0.98 116.57 118.89 3fbn h LYS 36 Ca 0.62 -0.01 -0.20 0.00 -1.87 0.00 0.00 60.65 59.19 3fbn h LYS 36 Cb 1.35 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.60 3fbn h LYS 36 CO -0.78 0.10 -0.94 1.05 -0.57 0.00 0.00 179.45 178.31 3fbn h GLU 37 N 0.16 0.05 0.00 3.15 4.11 -1.35 -3.01 114.58 117.68 3fbn h GLU 37 Ca 0.09 -0.07 -0.02 0.00 0.07 0.00 0.00 59.36 59.43 3fbn h GLU 37 Cb 0.06 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.34 3fbn h GLU 37 CO -0.10 0.95 -0.08 -0.22 0.07 0.00 0.00 179.01 179.63 3fbn h LYS 38 N 0.02 0.00 0.00 1.06 3.64 -0.84 -1.19 116.57 119.26 3fbn h LYS 38 Ca -0.02 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.32 3fbn h LYS 38 Cb 1.64 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.46 3fbn h LYS 38 CO 0.13 0.08 -0.18 -0.22 -2.27 0.00 0.00 179.45 176.99 3fbn h LYS 39 N 0.00 0.00 -2.98 1.90 3.64 -1.05 -3.31 116.57 114.77 3fbn h LYS 39 Ca -0.00 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.29 3fbn h LYS 39 Cb 0.29 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.10 3fbn h LYS 39 CO 0.01 0.18 0.65 0.00 -2.27 0.00 0.00 179.45 178.02 3fbn n ALA 40 N -2.16 2.59 0.00 5.00 0.00 -0.45 -5.12 120.51 120.37 3fbn n ALA 40 Ca 0.02 -0.63 -0.02 0.00 0.00 0.00 0.00 53.44 52.80 3fbn n ALA 40 Cb 0.52 -2.39 -0.01 0.00 0.00 0.00 0.00 19.45 17.57 3fbn n ALA 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3fbn n ALA 41 N 3.31 2.20 -0.01 0.00 0.00 -1.25 -5.09 120.51 119.68 3fbn n ALA 41 Ca 0.15 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.35 3fbn n ALA 41 Cb 0.21 0.14 0.00 0.00 0.00 0.00 0.00 19.45 19.79 3fbn n ALA 41 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 3fbn n THR 60 N -3.54 0.00 -3.60 0.00 5.66 -1.26 -5.20 114.28 106.33 3fbn n THR 60 Ca -0.04 0.00 -0.03 0.00 -3.05 0.00 0.00 64.05 60.93 3fbn n THR 60 Cb 0.14 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 68.91 3fbn n THR 60 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3fbn h ALA 62 N 2.00 -0.57 -0.46 0.00 0.00 -2.03 -2.06 119.26 116.14 3fbn h ALA 62 Ca -0.19 -0.00 0.09 0.00 0.00 0.00 0.00 54.91 54.81 3fbn h ALA 62 Cb 1.20 0.79 -0.02 0.00 0.00 0.00 0.00 17.79 19.75 3fbn h ALA 62 CO 0.26 -0.92 0.31 -0.07 0.00 0.00 0.00 179.25 178.84 3fbn h LEU 63 N -0.48 0.21 -1.60 0.00 3.38 -1.95 -1.31 115.31 113.55 3fbn h LEU 63 Ca 0.08 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.12 3fbn h LEU 63 Cb 0.62 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 3fbn h LEU 63 CO -0.41 0.13 0.56 0.44 0.09 0.00 0.00 178.44 179.25 3fbn h ASP 64 N 0.24 0.00 0.91 -0.43 3.32 -1.77 0.57 116.42 119.26 3fbn h ASP 64 Ca 0.21 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.26 3fbn h ASP 64 Cb 0.52 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.07 3fbn h ASP 64 CO -0.04 0.00 -0.32 -1.22 -1.72 0.00 0.00 179.24 175.94 3fbn n TYR 65 N -3.13 0.33 0.10 4.55 4.02 -0.50 -3.21 117.16 119.33 3fbn n TYR 65 Ca 0.04 0.10 0.06 0.00 -0.01 0.00 0.00 57.90 58.09 3fbn n TYR 65 Cb 0.67 -0.56 0.24 0.00 -0.02 0.00 0.00 39.34 39.67 3fbn n TYR 65 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 3fbn n LEU 66 N -1.82 3.37 -3.99 7.72 4.77 0.19 -4.81 117.00 122.44 3fbn n LEU 66 Ca 0.05 -1.70 -0.27 0.00 -0.03 0.00 0.00 56.01 54.07 3fbn n LEU 66 Cb 0.38 -0.48 -0.17 0.00 -2.33 0.00 0.00 43.42 40.83 3fbn n LEU 66 CO 0.32 0.57 -0.47 -0.63 -1.33 0.00 0.00 177.39 175.86 3fbn s ILE 67 N -1.76 1.22 0.31 -0.08 1.01 -1.20 -5.11 121.20 115.60 3fbn s ILE 67 Ca 0.34 -0.46 -0.28 0.00 0.00 0.00 0.00 60.65 60.24 3fbn s ILE 67 Cb 0.22 -1.16 -0.13 0.00 0.01 0.00 0.00 42.46 41.40 3fbn s ILE 67 CO 0.16 0.39 1.18 -2.65 0.00 0.00 0.00 174.94 174.02 3fbn n PRO 68 N 4.40 1.78 -0.97 2.79 -0.02 -1.26 -4.95 135.00 136.77 3fbn n PRO 68 Ca -0.18 0.63 -0.31 0.00 -2.02 0.00 0.00 63.50 61.62 3fbn n PRO 68 Cb 0.51 -2.12 0.14 0.00 -0.02 0.00 0.00 33.50 32.01 3fbn n PRO 68 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3fbn s PRO 69 N -1.64 1.37 0.55 0.52 0.04 -1.26 -5.03 135.00 129.54 3fbn s PRO 69 Ca 0.58 1.25 -0.00 0.00 0.04 0.00 0.00 61.00 62.86 3fbn s PRO 69 Cb -0.63 -1.79 0.03 0.00 0.04 0.00 0.00 34.50 32.14 3fbn s PRO 69 CO 0.60 -2.29 0.79 -1.25 0.04 0.00 0.00 177.00 174.89 3fbn s PRO 70 N -4.77 2.64 0.30 0.56 0.05 -1.26 -5.04 135.00 127.48 3fbn s PRO 70 Ca 0.64 -0.60 -0.29 0.00 0.05 0.00 0.00 61.00 60.80 3fbn s PRO 70 Cb -0.20 -2.45 -0.10 0.00 0.05 0.00 0.00 34.50 31.80 3fbn s PRO 70 CO 0.58 -0.68 1.31 -1.64 0.05 0.00 0.00 177.00 176.62 3fbn s MET 71 N -4.79 4.37 0.32 4.56 -1.94 -1.26 -4.97 119.30 115.59 3fbn s MET 71 Ca 0.55 2.17 -0.27 0.00 -1.71 0.00 0.00 55.69 56.43 3fbn s MET 71 Cb -0.10 -3.10 -0.13 0.00 2.01 0.00 0.00 34.83 33.50 3fbn s MET 71 CO 0.39 -0.19 1.03 -2.30 -0.01 0.00 0.00 175.02 173.94 3fbn n PRO 72 N 1.26 1.43 -0.28 2.03 -0.02 -1.26 -4.90 135.00 133.26 3fbn n PRO 72 Ca 0.02 0.50 -0.02 0.00 -2.02 0.00 0.00 63.50 61.98 3fbn n PRO 72 Cb 0.42 -1.92 0.11 0.00 -0.02 0.00 0.00 33.50 32.08 3fbn n PRO 72 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3fbn h LYS 73 N 1.96 0.88 -7.00 -0.52 1.57 -2.07 -3.42 116.57 107.96 3fbn h LYS 73 Ca -0.41 -0.05 -0.49 0.00 -1.87 0.00 0.00 60.65 57.83 3fbn h LYS 73 Cb 1.33 -0.20 0.04 0.00 0.08 0.00 0.00 32.23 33.49 3fbn h LYS 73 CO 0.60 0.58 0.44 -0.80 -0.57 0.00 0.00 179.45 179.70 3fbn s ASN 74 N -5.75 6.39 -0.69 0.86 0.01 -1.26 -5.01 114.94 109.49 3fbn s ASN 74 Ca -0.13 2.14 0.01 0.00 -0.71 0.00 0.00 52.86 54.16 3fbn s ASN 74 Cb 0.17 -2.59 0.17 0.00 0.41 0.00 0.00 41.25 39.41 3fbn s ASN 74 CO 0.78 -0.75 0.50 -1.10 -1.51 0.00 0.00 177.10 175.02 3fbn s GLN 75 N -2.74 2.61 0.00 -0.60 -0.21 -1.26 -4.76 119.66 112.70 3fbn s GLN 75 Ca 0.62 -2.93 0.00 0.00 0.02 0.00 0.00 55.36 53.07 3fbn s GLN 75 Cb -0.24 -3.64 0.00 0.00 1.00 0.00 0.00 33.01 30.13 3fbn s GLN 75 CO 0.29 -1.21 0.20 0.00 -2.12 0.00 0.00 175.29 172.45 3fbn n GLN 76 N 2.77 -0.37 -0.09 2.91 10.64 -1.26 -4.90 117.38 127.07 3fbn n GLN 76 Ca 0.13 -0.20 -0.13 0.00 -1.83 0.00 0.00 57.00 54.97 3fbn n GLN 76 Cb 0.36 -0.69 -0.09 0.00 -0.86 0.00 0.00 30.24 28.95 3fbn n GLN 76 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 3fbn n TYR 77 N -0.00 0.00 -1.68 2.61 4.01 -1.26 -4.95 117.16 115.89 3fbn n TYR 77 Ca 0.00 0.00 -0.53 0.00 -0.16 0.00 0.00 57.90 57.21 3fbn n TYR 77 Cb 0.16 -0.74 -0.06 0.00 -0.31 0.00 0.00 39.34 38.38 3fbn n TYR 77 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 3fbn n ARG 78 N -3.03 1.48 -0.00 -0.72 1.74 -1.26 -4.82 116.66 110.05 3fbn n ARG 78 Ca -0.33 0.54 -0.00 0.00 -0.77 0.00 0.00 57.85 57.28 3fbn n ARG 78 Cb 0.87 -2.26 -0.01 0.00 -1.02 0.00 0.00 32.46 30.05 3fbn n ARG 78 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3fbn n ALA 79 N 4.96 2.00 -3.43 7.54 0.00 -1.26 -4.81 120.51 125.51 3fbn n ALA 79 Ca 0.23 -0.04 -0.26 0.00 0.00 0.00 0.00 53.44 53.37 3fbn n ALA 79 Cb 0.19 0.12 -0.09 0.00 0.00 0.00 0.00 19.45 19.68 3fbn n ALA 79 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3fbn n PHE 80 N -1.82 1.39 0.00 0.00 3.72 -1.26 -5.30 117.46 114.18 3fbn n PHE 80 Ca -0.01 -3.83 0.00 0.00 -0.05 0.00 0.00 57.45 53.56 3fbn n PHE 80 Cb 0.31 -0.34 0.00 0.00 -0.94 0.00 0.00 39.48 38.51 3fbn n PHE 80 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12