#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a1q n PRO 77 N 0.00 1.45 0.00 1.61 -0.02 -1.26 -4.91 135.00 131.87 3a1q n PRO 77 Ca 0.00 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 62.00 3a1q n PRO 77 Cb 0.00 -2.20 0.00 0.00 -0.02 0.00 0.00 33.50 31.28 3a1q n PRO 77 CO 0.00 0.00 0.00 1.47 1.98 0.00 0.00 175.50 178.95 3a1q n LEU 78 N 2.78 0.00 -4.87 2.45 -0.00 -1.26 -5.10 117.00 111.01 3a1q n LEU 78 Ca 0.18 0.00 -0.30 0.00 -0.00 0.00 0.00 56.01 55.89 3a1q n LEU 78 Cb 0.22 0.00 0.18 0.00 -0.00 0.00 0.00 43.42 43.81 3a1q n LEU 78 CO 0.63 0.00 0.82 -0.83 -0.00 0.00 0.00 177.39 178.00 3a1q s GLY 79 N -1.28 1.71 -0.24 1.47 0.00 -1.26 -5.06 107.32 102.66 3a1q s GLY 79 Ca 0.00 -1.03 0.02 0.00 0.00 0.00 0.00 44.72 43.71 3a1q s GLY 79 CO 0.00 -0.30 -0.13 -0.45 0.00 0.00 0.00 173.10 172.22 3a1q s SER 80 N -4.64 4.16 0.04 1.64 0.15 -1.26 -5.03 113.70 108.76 3a1q s SER 80 Ca 0.71 -1.23 -0.29 0.00 0.70 0.00 0.00 55.95 55.84 3a1q s SER 80 Cb -0.07 -1.54 -0.17 0.00 -1.71 0.00 0.00 66.02 62.53 3a1q s SER 80 CO 0.53 -0.15 1.40 -0.08 1.20 0.00 0.00 173.24 176.14 3a1q h GLU 81 N 7.81 -0.72 0.00 5.44 4.81 -1.99 -2.16 114.58 127.77 3a1q h GLU 81 Ca -0.25 0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.03 3a1q h GLU 81 Cb 1.06 0.16 0.00 0.00 0.63 0.00 0.00 28.75 30.61 3a1q h GLU 81 CO 0.50 -0.42 0.00 0.93 -0.73 0.00 0.00 179.01 179.29 3a1q h GLU 82 N -0.92 0.00 0.01 1.92 4.39 -1.97 0.16 114.58 118.17 3a1q h GLU 82 Ca -0.08 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.52 3a1q h GLU 82 Cb 0.63 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.29 3a1q h GLU 82 CO 0.13 0.00 -0.41 1.49 -1.16 0.00 0.00 179.01 179.06 3a1q h GLU 83 N 0.00 0.26 0.00 2.33 4.81 -1.96 -0.23 114.58 119.80 3a1q h GLU 83 Ca 0.00 -0.29 -0.05 0.00 -0.13 0.00 0.00 59.36 58.88 3a1q h GLU 83 Cb 0.34 0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.80 3a1q h GLU 83 CO 0.00 1.01 -0.25 -0.56 -0.73 0.00 0.00 179.01 178.48 3a1q h GLN 84 N -0.36 0.00 -0.17 1.92 3.07 -1.16 -1.73 115.11 116.67 3a1q h GLN 84 Ca -0.05 0.00 -0.05 0.00 0.09 0.00 0.00 58.65 58.64 3a1q h GLN 84 Cb 1.16 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.72 3a1q h GLN 84 CO 0.08 0.25 -0.07 0.35 0.09 0.00 0.00 178.83 179.53 3a1q h PHE 85 N 0.00 0.40 -0.64 0.06 3.57 -0.91 -1.85 116.94 117.57 3a1q h PHE 85 Ca -0.00 -0.10 -0.02 0.00 3.53 0.00 0.00 57.97 61.38 3a1q h PHE 85 Cb 0.94 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 39.56 3a1q h PHE 85 CO 0.00 0.65 0.33 0.00 -2.23 0.00 0.00 178.31 177.05 3a1q h ALA 86 N 0.70 0.83 -0.33 2.41 0.00 -0.83 -1.90 119.26 120.13 3a1q h ALA 86 Ca 0.04 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.84 3a1q h ALA 86 Cb 0.53 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 3a1q h ALA 86 CO 0.02 0.37 0.20 1.25 0.00 0.00 0.00 179.25 181.10 3a1q h LEU 87 N 0.88 0.33 -1.07 0.00 5.85 -1.21 -1.58 115.31 118.51 3a1q h LEU 87 Ca 0.22 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.95 3a1q h LEU 87 Cb 0.09 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 41.00 3a1q h LEU 87 CO -0.03 0.24 0.62 0.00 -0.34 0.00 0.00 178.44 178.93 3a1q h ALA 88 N 1.14 1.32 -0.31 1.25 0.00 -1.09 -0.21 119.26 121.36 3a1q h ALA 88 Ca 0.13 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 3a1q h ALA 88 Cb -0.01 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.39 3a1q h ALA 88 CO -0.05 0.63 0.13 -0.07 0.00 0.00 0.00 179.25 179.89 3a1q h LEU 89 N 1.28 0.42 -0.09 0.00 3.38 -0.84 -1.15 115.31 118.31 3a1q h LEU 89 Ca 0.34 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 3a1q h LEU 89 Cb -0.14 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.50 3a1q h LEU 89 CO -0.07 0.46 0.02 0.50 0.09 0.00 0.00 178.44 179.43 3a1q h LYS 90 N 0.36 0.15 -0.66 1.13 3.64 -0.79 0.78 116.57 121.18 3a1q h LYS 90 Ca 0.11 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.41 3a1q h LYS 90 Cb 0.16 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.93 3a1q h LYS 90 CO -0.01 0.36 0.28 0.52 -2.27 0.00 0.00 179.45 178.33 3a1q h MET 91 N -0.08 0.95 -0.54 1.90 2.86 -1.05 -0.37 114.93 118.60 3a1q h MET 91 Ca 0.03 -0.14 -0.12 0.00 -2.06 0.00 0.00 59.70 57.41 3a1q h MET 91 Cb 0.28 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 31.75 3a1q h MET 91 CO 0.00 0.76 -0.12 1.03 1.06 0.00 0.00 176.91 179.65 3a1q h SER 92 N 0.94 1.04 0.71 1.22 0.87 -1.08 -1.14 113.55 116.10 3a1q h SER 92 Ca 0.23 -0.35 -0.03 0.00 -1.23 0.00 0.00 61.79 60.41 3a1q h SER 92 Cb 0.15 -0.28 -0.00 0.00 -0.44 0.00 0.00 62.40 61.83 3a1q h SER 92 CO -0.02 1.15 -0.40 -0.08 -0.53 0.00 0.00 176.83 176.95 3a1q h GLU 93 N 0.91 -0.99 -0.51 2.24 4.57 -0.30 -1.01 114.58 119.50 3a1q h GLU 93 Ca 0.14 0.07 0.10 0.00 -1.18 0.00 0.00 59.36 58.49 3a1q h GLU 93 Cb 0.69 0.22 -0.09 0.00 -0.16 0.00 0.00 28.75 29.42 3a1q h GLU 93 CO 0.05 -0.66 -0.01 1.96 -1.18 0.00 0.00 179.01 179.17 3a1q h GLN 94 N -1.03 0.10 -1.01 1.92 4.20 -0.98 -0.47 115.11 117.85 3a1q h GLN 94 Ca -0.09 -0.01 0.04 0.00 0.06 0.00 0.00 58.65 58.66 3a1q h GLN 94 Cb 0.81 -0.02 -0.06 0.00 0.30 0.00 0.00 27.48 28.51 3a1q h GLN 94 CO 0.12 0.07 0.66 0.93 -0.67 0.00 0.00 178.83 179.93 3a1q h GLU 95 N 0.10 1.22 -0.30 1.46 5.08 -1.05 -0.71 114.58 120.38 3a1q h GLU 95 Ca 0.26 -0.07 -0.16 0.00 -1.00 0.00 0.00 59.36 58.38 3a1q h GLU 95 Cb 0.39 -0.28 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 3a1q h GLU 95 CO -0.44 0.81 -0.46 0.00 -1.00 0.00 0.00 179.01 177.93 3a1q h ALA 96 N 1.42 0.63 -0.32 3.43 0.00 -0.08 -1.88 119.26 122.46 3a1q h ALA 96 Ca 0.41 -0.48 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 3a1q h ALA 96 Cb 0.04 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3a1q h ALA 96 CO -0.14 0.67 -0.08 0.00 0.00 0.00 0.00 179.25 179.70 3a1q h ARG 97 N 0.62 0.54 -0.01 0.00 3.08 -0.55 -0.45 114.38 117.61 3a1q h ARG 97 Ca 0.04 -0.14 -0.00 0.00 0.07 0.00 0.00 59.98 59.94 3a1q h ARG 97 Cb 1.03 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 31.01 3a1q h ARG 97 CO 0.10 0.62 -0.00 1.49 -1.07 0.00 0.00 179.97 181.11 3a1q h GLU 98 N 0.50 0.02 -0.47 0.04 4.22 -0.94 -0.68 114.58 117.28 3a1q h GLU 98 Ca 0.10 -0.01 0.02 0.00 0.08 0.00 0.00 59.36 59.55 3a1q h GLU 98 Cb 0.45 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.67 3a1q h GLU 98 CO 0.02 0.34 0.28 0.28 -2.18 0.00 0.00 179.01 177.75 3a1q h VAL 99 N -0.30 1.05 -0.23 0.32 2.07 -1.11 -1.36 116.25 116.70 3a1q h VAL 99 Ca 0.00 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 67.32 3a1q h VAL 99 Cb 0.33 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 3a1q h VAL 99 CO 0.00 0.10 0.10 -1.13 0.02 0.00 0.00 177.57 176.67 3a1q h ASN 100 N 0.56 0.30 -0.84 0.57 -0.73 -1.02 -1.36 115.58 113.06 3a1q h ASN 100 Ca 0.18 -0.14 0.06 0.00 1.87 0.00 0.00 56.30 58.27 3a1q h ASN 100 Cb 0.01 -0.08 -0.05 0.00 0.27 0.00 0.00 38.32 38.47 3a1q h ASN 100 CO -0.08 0.36 0.55 -1.13 -0.37 0.00 0.00 177.43 176.75 3a1q h ASN 101 N 0.23 0.83 0.16 1.15 -1.24 -0.84 0.98 115.58 116.85 3a1q h ASN 101 Ca 0.08 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.08 3a1q h ASN 101 Cb 0.14 -0.18 0.00 0.00 0.73 0.00 0.00 38.32 39.01 3a1q h ASN 101 CO -0.01 0.55 -0.08 -0.61 -1.29 0.00 0.00 177.43 175.99 3a1q h GLN 102 N 0.95 -0.20 -0.81 6.67 5.75 -0.87 -1.30 115.11 125.30 3a1q h GLN 102 Ca 0.35 0.01 0.08 0.00 -0.15 0.00 0.00 58.65 58.95 3a1q h GLN 102 Cb 0.17 0.05 -0.05 0.00 1.07 0.00 0.00 27.48 28.71 3a1q h GLN 102 CO -0.12 0.05 0.53 0.93 -2.65 0.00 0.00 178.83 177.57 3a1q h GLU 103 N -0.45 0.78 -0.29 1.69 5.08 -0.65 -1.61 114.58 119.14 3a1q h GLU 103 Ca -0.02 -0.05 -0.09 0.00 -1.00 0.00 0.00 59.36 58.20 3a1q h GLU 103 Cb 0.35 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 3a1q h GLU 103 CO 0.04 0.51 -0.19 1.49 -1.00 0.00 0.00 179.01 179.86 3a1q h GLU 104 N 0.80 0.63 -0.26 2.33 4.81 -0.59 -1.89 114.58 120.41 3a1q h GLU 104 Ca 0.36 -0.30 -0.10 0.00 -0.13 0.00 0.00 59.36 59.20 3a1q h GLU 104 Cb 0.37 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.72 3a1q h GLU 104 CO -0.14 0.89 -0.25 0.87 -0.73 0.00 0.00 179.01 179.65 3a1q h LYS 105 N 0.37 0.50 -0.10 1.92 1.57 -0.85 -0.70 116.57 119.29 3a1q h LYS 105 Ca 0.06 -0.19 -0.09 0.00 -1.87 0.00 0.00 60.65 58.55 3a1q h LYS 105 Cb 0.72 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.99 3a1q h LYS 105 CO 0.05 0.71 -0.36 0.93 -0.57 0.00 0.00 179.45 180.21 3a1q h GLU 106 N 0.44 0.21 -0.12 3.15 5.08 -1.19 -0.62 114.58 121.53 3a1q h GLU 106 Ca 0.06 -0.09 -0.22 0.00 -1.00 0.00 0.00 59.36 58.12 3a1q h GLU 106 Cb 0.67 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.92 3a1q h GLU 106 CO 0.05 0.55 -0.80 0.93 -1.00 0.00 0.00 179.01 178.74 3a1q h GLU 107 N 0.18 0.70 -0.65 2.33 4.39 -0.93 -2.38 114.58 118.22 3a1q h GLU 107 Ca 0.02 -0.59 -0.04 0.00 0.34 0.00 0.00 59.36 59.10 3a1q h GLU 107 Cb 0.73 0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 29.48 3a1q h GLU 107 CO 0.06 1.20 0.27 1.49 -1.16 0.00 0.00 179.01 180.86 3a1q h GLU 108 N 0.47 0.96 -0.67 2.33 4.57 -0.73 -0.03 114.58 121.48 3a1q h GLU 108 Ca -0.06 -0.17 -0.08 0.00 -1.18 0.00 0.00 59.36 57.87 3a1q h GLU 108 Cb 1.42 -0.16 -0.03 0.00 -0.16 0.00 0.00 28.75 29.82 3a1q h GLU 108 CO 0.16 0.80 0.10 -0.07 -1.18 0.00 0.00 179.01 178.82 3a1q h LEU 109 N 0.91 1.07 -0.63 1.64 3.38 -1.12 -1.63 115.31 118.92 3a1q h LEU 109 Ca 0.22 -0.26 -0.07 0.00 0.09 0.00 0.00 57.88 57.86 3a1q h LEU 109 Cb 0.19 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 3a1q h LEU 109 CO -0.02 1.06 0.14 0.25 0.09 0.00 0.00 178.44 179.96 3a1q h LEU 110 N 1.04 0.97 -0.65 1.67 5.85 -1.04 -1.70 115.31 121.45 3a1q h LEU 110 Ca 0.20 -0.24 -0.06 0.00 0.84 0.00 0.00 57.88 58.62 3a1q h LEU 110 Cb 0.45 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.20 3a1q h LEU 110 CO 0.01 0.97 0.18 -0.09 -0.34 0.00 0.00 178.44 179.18 3a1q h ARG 111 N 0.94 1.02 -0.38 1.25 2.43 -0.81 -1.80 114.38 117.04 3a1q h ARG 111 Ca 0.20 -0.23 -0.10 0.00 -0.81 0.00 0.00 59.98 59.04 3a1q h ARG 111 Cb 0.38 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.77 3a1q h ARG 111 CO 0.01 0.91 -0.16 0.87 -1.51 0.00 0.00 179.97 180.08 3a1q h LYS 112 N 0.95 0.69 -0.12 0.20 1.57 -1.03 -1.39 116.57 117.45 3a1q h LYS 112 Ca 0.21 -0.24 -0.16 0.00 -1.87 0.00 0.00 60.65 58.59 3a1q h LYS 112 Cb 0.32 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 3a1q h LYS 112 CO -0.00 0.82 -0.60 0.00 -0.57 0.00 0.00 179.45 179.10 3a1q h ALA 113 N 1.20 0.74 -0.18 3.86 0.00 -1.15 -1.84 119.26 121.90 3a1q h ALA 113 Ca 0.10 -0.54 -0.04 0.00 0.00 0.00 0.00 54.91 54.43 3a1q h ALA 113 Cb 0.63 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 3a1q h ALA 113 CO 0.04 0.71 -0.05 0.82 0.00 0.00 0.00 179.25 180.77 3a1q h ILE 114 N 0.31 1.29 -0.85 0.00 2.04 -1.13 -1.52 117.51 117.65 3a1q h ILE 114 Ca -0.00 -1.04 0.04 0.00 1.00 0.00 0.00 64.86 64.85 3a1q h ILE 114 Cb 1.13 1.62 -0.05 0.00 -0.74 0.00 0.00 36.82 38.77 3a1q h ILE 114 CO 0.10 0.31 0.54 0.00 0.00 0.00 0.00 178.15 179.11 3a1q h ALA 115 N 0.71 1.12 -0.38 1.87 0.00 -1.20 -2.06 119.26 119.32 3a1q h ALA 115 Ca 0.04 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 3a1q h ALA 115 Cb 0.50 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 3a1q h ALA 115 CO 0.02 0.37 0.12 0.93 0.00 0.00 0.00 179.25 180.69 3a1q h GLU 116 N 1.05 0.58 0.00 0.00 4.39 -1.22 0.87 114.58 120.25 3a1q h GLU 116 Ca 0.34 -0.12 0.00 0.00 0.34 0.00 0.00 59.36 59.92 3a1q h GLU 116 Cb 0.02 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 28.59 3a1q h GLU 116 CO -0.12 0.59 0.00 0.66 -1.16 0.00 0.00 179.01 178.98 3a1q h SER 117 N 0.46 0.00 0.00 1.42 4.64 -0.87 -1.61 113.55 117.60 3a1q h SER 117 Ca 0.12 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.22 3a1q h SER 117 Cb 0.24 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.29 3a1q h SER 117 CO -0.00 0.00 -1.92 0.18 -0.87 0.00 0.00 176.83 174.22 3a1q n LEU 118 N -2.82 0.00 0.17 5.97 4.77 -0.81 -4.50 117.00 119.77 3a1q n LEU 118 Ca -0.00 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.10 3a1q n LEU 118 Cb 0.19 0.30 0.15 0.00 -2.33 0.00 0.00 43.42 41.74 3a1q n LEU 118 CO 0.21 0.30 0.58 0.78 -1.33 0.00 0.00 177.39 177.94 3a1q h ASN 119 N 0.00 0.00 0.00 -1.43 2.35 -0.75 -3.51 115.58 112.24 3a1q h ASN 119 Ca -0.33 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.40 3a1q h ASN 119 Cb 1.73 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.10 3a1q h ASN 119 CO 0.02 0.01 0.00 -1.20 -1.65 0.00 0.00 177.43 174.61