#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a1q h PRO 77 N 0.00 0.00 -0.59 1.61 0.13 -2.10 0.51 132.00 131.56 3a1q h PRO 77 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3a1q h PRO 77 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 3a1q h PRO 77 CO 0.00 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.05 3a1q n LEU 78 N -3.99 3.97 0.00 1.56 4.32 -1.26 -5.04 117.00 116.56 3a1q n LEU 78 Ca 0.05 -2.20 0.00 0.00 -0.02 0.00 0.00 56.01 53.84 3a1q n LEU 78 Cb 0.47 -0.46 0.00 0.00 -1.62 0.00 0.00 43.42 41.81 3a1q n LEU 78 CO 0.31 0.86 0.00 0.61 -1.22 0.00 0.00 177.39 177.94 3a1q n GLY 79 N 1.09 2.13 3.91 -0.72 0.00 0.18 -4.88 105.19 106.90 3a1q n GLY 79 Ca 0.22 -1.67 -0.29 0.00 0.00 0.00 0.00 46.02 44.27 3a1q n GLY 79 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3a1q s SER 80 N -0.02 4.14 0.23 1.61 1.04 -1.26 -3.47 113.70 115.98 3a1q s SER 80 Ca 0.00 0.65 -0.06 0.00 0.48 0.00 0.00 55.95 57.02 3a1q s SER 80 Cb 0.00 -1.03 0.30 0.00 0.10 0.00 0.00 66.02 65.39 3a1q s SER 80 CO 0.00 -2.12 1.85 -0.33 0.98 0.00 0.00 173.24 173.62 3a1q h GLU 81 N -1.21 0.91 0.15 4.02 5.08 -1.98 -1.01 114.58 120.54 3a1q h GLU 81 Ca -0.46 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 57.84 3a1q h GLU 81 Cb 1.31 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 30.35 3a1q h GLU 81 CO 0.59 0.60 -0.07 0.93 -1.00 0.00 0.00 179.01 180.06 3a1q h GLU 82 N 0.94 -0.19 -0.37 2.33 5.08 -2.00 -2.10 114.58 118.27 3a1q h GLU 82 Ca 0.35 0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.77 3a1q h GLU 82 Cb 0.14 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.40 3a1q h GLU 82 CO -0.16 -0.03 0.13 0.93 -1.00 0.00 0.00 179.01 178.87 3a1q h GLU 83 N -0.31 0.27 -0.97 2.33 5.08 -1.86 -0.67 114.58 118.45 3a1q h GLU 83 Ca -0.02 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3a1q h GLU 83 Cb 0.25 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.39 3a1q h GLU 83 CO 0.03 0.18 0.62 1.96 -1.00 0.00 0.00 179.01 180.81 3a1q h GLN 84 N 0.28 1.30 -0.48 2.33 4.20 -1.13 0.16 115.11 121.77 3a1q h GLN 84 Ca 0.17 -0.09 -0.07 0.00 0.06 0.00 0.00 58.65 58.72 3a1q h GLN 84 Cb 0.15 -0.28 -0.02 0.00 0.30 0.00 0.00 27.48 27.63 3a1q h GLN 84 CO -0.18 0.88 0.03 0.35 -0.67 0.00 0.00 178.83 179.25 3a1q h PHE 85 N 1.33 0.90 -0.60 2.96 3.57 -0.88 0.19 116.94 124.41 3a1q h PHE 85 Ca 0.35 -0.14 -0.03 0.00 3.53 0.00 0.00 57.97 61.68 3a1q h PHE 85 Cb -0.12 -0.24 -0.03 0.00 2.79 0.00 0.00 35.95 38.36 3a1q h PHE 85 CO 0.00 0.84 0.26 0.00 -2.23 0.00 0.00 178.31 177.18 3a1q h ALA 86 N 0.94 0.78 -0.61 2.41 0.00 -0.61 -1.24 119.26 120.94 3a1q h ALA 86 Ca 0.14 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 3a1q h ALA 86 Cb 0.46 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 3a1q h ALA 86 CO 0.02 0.38 0.20 1.25 0.00 0.00 0.00 179.25 181.10 3a1q h LEU 87 N 0.83 0.87 -1.17 0.00 5.85 -0.36 -2.25 115.31 119.08 3a1q h LEU 87 Ca 0.20 -0.20 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 3a1q h LEU 87 Cb 0.18 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 40.95 3a1q h LEU 87 CO -0.02 0.84 0.23 0.00 -0.34 0.00 0.00 178.44 179.15 3a1q h ALA 88 N 1.07 1.35 -0.12 1.25 0.00 -0.64 -0.43 119.26 121.73 3a1q h ALA 88 Ca 0.20 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3a1q h ALA 88 Cb 0.27 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3a1q h ALA 88 CO -0.01 0.49 0.04 -0.07 0.00 0.00 0.00 179.25 179.70 3a1q h LEU 89 N 0.81 0.18 0.62 0.00 3.38 -0.87 -1.35 115.31 118.07 3a1q h LEU 89 Ca 0.19 -0.21 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 3a1q h LEU 89 Cb 0.15 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 3a1q h LEU 89 CO -0.02 0.35 -0.49 0.50 0.09 0.00 0.00 178.44 178.87 3a1q h LYS 90 N 0.01 -1.03 -0.95 1.13 3.64 -1.01 -1.19 116.57 117.16 3a1q h LYS 90 Ca 0.04 0.07 0.20 0.00 -1.27 0.00 0.00 60.65 59.69 3a1q h LYS 90 Cb 0.23 0.23 -0.08 0.00 -0.41 0.00 0.00 32.23 32.20 3a1q h LYS 90 CO -0.00 -0.69 0.61 0.52 -2.27 0.00 0.00 179.45 177.62 3a1q h MET 91 N -1.07 0.56 -0.25 1.90 2.86 -1.09 0.10 114.93 117.94 3a1q h MET 91 Ca -0.08 -0.03 -0.10 0.00 -2.06 0.00 0.00 59.70 57.42 3a1q h MET 91 Cb 0.90 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 32.42 3a1q h MET 91 CO 0.01 0.37 -0.28 1.03 1.06 0.00 0.00 176.91 179.10 3a1q h SER 92 N 0.58 0.51 -0.26 1.22 0.87 -0.84 -1.47 113.55 114.16 3a1q h SER 92 Ca 0.52 -0.18 -0.18 0.00 -1.23 0.00 0.00 61.79 60.72 3a1q h SER 92 Cb 1.05 -0.14 -0.00 0.00 -0.44 0.00 0.00 62.40 62.86 3a1q h SER 92 CO -0.26 0.77 -0.52 -0.33 -0.53 0.00 0.00 176.83 175.96 3a1q h GLU 93 N 0.44 0.85 -0.46 2.24 4.39 0.39 -2.41 114.58 120.02 3a1q h GLU 93 Ca 0.06 -0.52 -0.09 0.00 0.34 0.00 0.00 59.36 59.15 3a1q h GLU 93 Cb 0.71 0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.40 3a1q h GLU 93 CO 0.05 1.15 -0.09 1.96 -1.16 0.00 0.00 179.01 180.93 3a1q h GLN 94 N 0.66 0.82 -0.66 2.33 4.20 -1.06 -1.75 115.11 119.65 3a1q h GLN 94 Ca 0.02 -0.27 -0.07 0.00 0.06 0.00 0.00 58.65 58.39 3a1q h GLN 94 Cb 1.12 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 28.80 3a1q h GLN 94 CO 0.11 0.88 0.12 1.49 -0.67 0.00 0.00 178.83 180.76 3a1q h GLU 95 N 0.74 1.07 -0.55 1.46 4.22 -1.19 -1.00 114.58 119.33 3a1q h GLU 95 Ca 0.13 -0.27 -0.08 0.00 0.08 0.00 0.00 59.36 59.22 3a1q h GLU 95 Cb 0.58 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.67 3a1q h GLU 95 CO 0.04 0.97 0.03 0.00 -2.18 0.00 0.00 179.01 177.87 3a1q h ALA 96 N 1.11 1.01 -0.18 2.92 0.00 -1.05 -0.42 119.26 122.66 3a1q h ALA 96 Ca 0.20 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 3a1q h ALA 96 Cb 0.41 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3a1q h ALA 96 CO 0.01 0.62 -0.01 0.00 0.00 0.00 0.00 179.25 179.87 3a1q h ARG 97 N 0.86 0.33 -0.81 0.00 3.08 -0.90 -1.45 114.38 115.49 3a1q h ARG 97 Ca 0.17 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 60.11 3a1q h ARG 97 Cb 0.47 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.45 3a1q h ARG 97 CO 0.02 0.55 0.51 0.93 -1.07 0.00 0.00 179.97 180.91 3a1q h GLU 98 N 0.07 1.08 -0.14 0.04 5.08 -1.03 0.73 114.58 120.40 3a1q h GLU 98 Ca 0.05 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 3a1q h GLU 98 Cb 0.41 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 3a1q h GLU 98 CO 0.01 0.74 0.04 0.28 -1.00 0.00 0.00 179.01 179.08 3a1q h VAL 99 N 1.10 1.19 -0.77 3.13 2.07 -0.91 0.09 116.25 122.15 3a1q h VAL 99 Ca 0.29 -0.59 -0.01 0.00 0.82 0.00 0.00 66.70 67.22 3a1q h VAL 99 Cb -0.08 1.31 -0.04 0.00 -1.52 0.00 0.00 31.29 30.96 3a1q h VAL 99 CO -0.06 0.18 0.45 -1.13 0.02 0.00 0.00 177.57 177.03 3a1q h ASN 100 N 0.04 0.94 -0.28 0.57 -0.73 -0.73 0.41 115.58 115.80 3a1q h ASN 100 Ca 0.05 -0.08 -0.08 0.00 1.87 0.00 0.00 56.30 58.06 3a1q h ASN 100 Cb 0.24 -0.24 -0.02 0.00 0.27 0.00 0.00 38.32 38.57 3a1q h ASN 100 CO -0.00 0.74 -0.07 0.78 -0.37 0.00 0.00 177.43 178.51 3a1q h ASN 101 N 1.06 0.65 -0.09 1.15 2.35 -0.70 -1.76 115.58 118.24 3a1q h ASN 101 Ca 0.27 -0.17 -0.11 0.00 -0.55 0.00 0.00 56.30 55.74 3a1q h ASN 101 Cb -0.01 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.17 3a1q h ASN 101 CO -0.05 0.77 -0.31 -0.61 -1.65 0.00 0.00 177.43 175.58 3a1q h GLN 102 N 0.62 0.56 -0.08 0.81 5.75 -0.28 -2.27 115.11 120.22 3a1q h GLN 102 Ca 0.12 -0.25 -0.16 0.00 -0.15 0.00 0.00 58.65 58.21 3a1q h GLN 102 Cb 0.50 -0.02 0.01 0.00 1.07 0.00 0.00 27.48 29.04 3a1q h GLN 102 CO 0.03 0.81 -0.56 0.93 -2.65 0.00 0.00 178.83 177.39 3a1q h GLU 103 N 0.48 0.53 -0.23 1.69 5.08 -0.60 -2.70 114.58 118.83 3a1q h GLU 103 Ca 0.06 -0.45 -0.12 0.00 -1.00 0.00 0.00 59.36 57.85 3a1q h GLU 103 Cb 0.78 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.12 3a1q h GLU 103 CO 0.06 1.09 -0.36 0.93 -1.00 0.00 0.00 179.01 179.73 3a1q h GLU 104 N 0.12 0.50 -0.37 2.33 5.08 -1.35 -1.13 114.58 119.77 3a1q h GLU 104 Ca -0.05 -0.23 -0.06 0.00 -1.00 0.00 0.00 59.36 58.02 3a1q h GLU 104 Cb 1.21 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.44 3a1q h GLU 104 CO 0.11 0.79 -0.04 -0.22 -1.00 0.00 0.00 179.01 178.65 3a1q h LYS 105 N 0.42 0.61 0.06 2.33 3.64 -1.45 -1.35 116.57 120.83 3a1q h LYS 105 Ca 0.05 -0.15 -0.27 0.00 -1.27 0.00 0.00 60.65 59.00 3a1q h LYS 105 Cb 0.82 -0.08 0.02 0.00 -0.41 0.00 0.00 32.23 32.58 3a1q h LYS 105 CO 0.07 0.66 -1.11 1.49 -2.27 0.00 0.00 179.45 178.28 3a1q h GLU 106 N 0.57 0.53 0.00 1.90 4.81 -1.12 -2.20 114.58 119.08 3a1q h GLU 106 Ca 0.11 -0.65 -0.02 0.00 -0.13 0.00 0.00 59.36 58.67 3a1q h GLU 106 Cb 0.42 0.20 -0.00 0.00 0.63 0.00 0.00 28.75 30.00 3a1q h GLU 106 CO 0.02 1.26 -0.11 1.05 -0.73 0.00 0.00 179.01 180.50 3a1q h GLU 107 N 0.26 0.00 -0.07 1.92 4.11 -1.08 -1.28 114.58 118.44 3a1q h GLU 107 Ca -0.14 0.00 -0.20 0.00 0.07 0.00 0.00 59.36 59.09 3a1q h GLU 107 Cb 1.78 0.00 0.01 0.00 0.50 0.00 0.00 28.75 31.04 3a1q h GLU 107 CO 0.20 0.11 -0.74 1.49 0.07 0.00 0.00 179.01 180.15 3a1q h GLU 108 N 0.00 0.62 -0.50 1.06 4.81 -1.10 -2.36 114.58 117.10 3a1q h GLU 108 Ca -0.00 -0.58 -0.08 0.00 -0.13 0.00 0.00 59.36 58.58 3a1q h GLU 108 Cb 0.55 0.14 -0.02 0.00 0.63 0.00 0.00 28.75 30.05 3a1q h GLU 108 CO 0.01 1.19 0.00 -0.07 -0.73 0.00 0.00 179.01 179.42 3a1q h LEU 109 N 0.25 0.81 -0.35 1.64 3.38 -1.03 -2.47 115.31 117.54 3a1q h LEU 109 Ca -0.07 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 57.70 3a1q h LEU 109 Cb 1.40 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.91 3a1q h LEU 109 CO 0.15 0.87 0.22 0.25 0.09 0.00 0.00 178.44 180.02 3a1q h LEU 110 N 0.78 0.42 -1.12 1.67 5.85 -1.20 -0.86 115.31 120.85 3a1q h LEU 110 Ca 0.15 -0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 3a1q h LEU 110 Cb 0.47 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.35 3a1q h LEU 110 CO 0.02 0.35 0.43 0.03 -0.34 0.00 0.00 178.44 178.93 3a1q h ARG 111 N 0.46 1.04 -0.34 1.25 3.08 -1.18 0.57 114.38 119.26 3a1q h ARG 111 Ca 0.13 -0.10 -0.05 0.00 0.07 0.00 0.00 59.98 60.03 3a1q h ARG 111 Cb -0.00 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 29.82 3a1q h ARG 111 CO -0.02 0.75 0.04 -0.22 -1.07 0.00 0.00 179.97 179.44 3a1q h LYS 112 N 1.05 0.58 -0.68 0.04 3.64 -0.98 -1.37 116.57 118.85 3a1q h LYS 112 Ca 0.27 -0.17 -0.06 0.00 -1.27 0.00 0.00 60.65 59.42 3a1q h LYS 112 Cb -0.00 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.73 3a1q h LYS 112 CO -0.05 0.68 0.18 0.00 -2.27 0.00 0.00 179.45 177.99 3a1q h ALA 113 N 0.88 1.04 -0.19 5.00 0.00 -0.78 0.67 119.26 125.88 3a1q h ALA 113 Ca 0.10 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 3a1q h ALA 113 Cb 0.39 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3a1q h ALA 113 CO 0.01 0.64 0.10 0.82 0.00 0.00 0.00 179.25 180.82 3a1q h ILE 114 N 1.02 1.12 -0.42 0.00 2.04 -0.67 0.50 117.51 121.09 3a1q h ILE 114 Ca 0.22 -0.32 -0.09 0.00 1.00 0.00 0.00 64.86 65.67 3a1q h ILE 114 Cb 0.33 0.98 -0.02 0.00 -0.74 0.00 0.00 36.82 37.37 3a1q h ILE 114 CO -0.00 0.11 -0.12 0.00 0.00 0.00 0.00 178.15 178.14 3a1q h ALA 115 N 0.98 1.00 -0.55 1.87 0.00 -1.04 -2.82 119.26 118.70 3a1q h ALA 115 Ca 0.07 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 54.62 3a1q h ALA 115 Cb 0.09 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3a1q h ALA 115 CO -0.01 0.60 0.19 1.49 0.00 0.00 0.00 179.25 181.52 3a1q h GLU 116 N 0.69 0.84 0.00 0.00 4.57 -0.60 -2.14 114.58 117.93 3a1q h GLU 116 Ca 0.12 -0.17 0.00 0.00 -1.18 0.00 0.00 59.36 58.13 3a1q h GLU 116 Cb 0.59 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 29.05 3a1q h GLU 116 CO 0.04 0.75 0.00 -1.13 -1.18 0.00 0.00 179.01 177.49 3a1q n SER 117 N -4.48 0.09 -0.70 1.04 3.41 0.14 -2.04 113.62 111.09 3a1q n SER 117 Ca 0.02 0.53 0.07 0.00 -0.26 0.00 0.00 58.87 59.24 3a1q n SER 117 Cb 0.18 -0.55 0.13 0.00 -0.26 0.00 0.00 64.21 63.72 3a1q n SER 117 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3a1q n LEU 118 N -1.61 2.71 0.06 1.04 4.77 -0.81 -4.23 117.00 118.93 3a1q n LEU 118 Ca 0.02 -1.52 0.12 0.00 -0.03 0.00 0.00 56.01 54.60 3a1q n LEU 118 Cb 0.10 -0.15 0.20 0.00 -2.33 0.00 0.00 43.42 41.24 3a1q n LEU 118 CO 0.09 0.61 0.42 0.59 -1.33 0.00 0.00 177.39 177.76 3a1q n ASN 119 N 0.80 0.70 0.00 -1.43 3.02 -0.87 -5.10 115.26 112.39 3a1q n ASN 119 Ca 0.12 0.16 0.00 0.00 -0.03 0.00 0.00 54.58 54.83 3a1q n ASN 119 Cb 0.42 0.05 0.00 0.00 -0.61 0.00 0.00 39.78 39.64 3a1q n ASN 119 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44