#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1l8c s ASP 100 N 0.00 0.82 0.41 6.43 2.15 -1.26 -4.90 116.67 120.32 1l8c s ASP 100 Ca 0.00 -0.10 0.00 0.00 0.43 0.00 0.00 52.55 52.88 1l8c s ASP 100 Cb 0.00 0.80 0.00 0.00 -0.30 0.00 0.00 42.92 43.42 1l8c s ASP 100 CO 0.00 -0.32 0.00 -0.11 -0.17 0.00 0.00 175.17 174.57 1l8c n LEU 101 N 5.34 -3.10 -3.99 -1.34 -0.00 -1.26 -5.10 117.00 107.56 1l8c n LEU 101 Ca -0.04 0.77 -0.36 0.00 -0.00 0.00 0.00 56.01 56.39 1l8c n LEU 101 Cb 0.49 2.95 0.01 0.00 -0.00 0.00 0.00 43.42 46.88 1l8c n LEU 101 CO 0.05 0.01 -0.13 0.00 -0.00 0.00 0.00 177.39 177.32 1l8c n ALA 102 N -3.41 -2.22 -3.24 1.96 0.00 -1.26 -1.51 120.51 110.83 1l8c n ALA 102 Ca 0.00 -0.45 -0.19 0.00 0.00 0.00 0.00 53.44 52.80 1l8c n ALA 102 Cb 0.00 -1.88 -0.02 0.00 0.00 0.00 0.00 19.45 17.56 1l8c n ALA 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1l8c n ARG 104 N -3.34 0.00 -2.55 0.00 3.00 -0.57 -4.89 116.66 108.32 1l8c n ARG 104 Ca -0.00 0.00 -0.37 0.00 -0.00 0.00 0.00 57.85 57.48 1l8c n ARG 104 Cb 0.52 0.00 -0.04 0.00 0.00 0.00 0.00 32.46 32.94 1l8c n ARG 104 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1l8c s LEU 105 N 0.00 4.26 -0.06 6.15 1.43 -1.26 -5.08 118.68 124.11 1l8c s LEU 105 Ca 0.00 2.07 0.01 0.00 -1.03 0.00 0.00 54.13 55.18 1l8c s LEU 105 Cb 0.00 -4.04 0.02 0.00 0.03 0.00 0.00 46.19 42.20 1l8c s LEU 105 CO 0.00 -0.36 -0.09 -0.76 0.23 0.00 0.00 176.35 175.37 1l8c s LEU 106 N -2.30 1.44 -1.18 1.79 1.43 -1.26 -4.73 118.68 113.87 1l8c s LEU 106 Ca 0.54 -0.23 -0.02 0.00 -1.03 0.00 0.00 54.13 53.39 1l8c s LEU 106 Cb -0.24 -0.69 0.00 0.00 0.03 0.00 0.00 46.19 45.30 1l8c s LEU 106 CO 0.30 -0.03 0.25 0.61 0.23 0.00 0.00 176.35 177.72 1l8c n GLY 107 N 4.10 -0.21 3.12 -3.19 0.00 -1.26 -4.80 105.19 102.95 1l8c n GLY 107 Ca -0.22 -0.19 -0.08 0.00 0.00 0.00 0.00 46.02 45.53 1l8c n GLY 107 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1l8c n GLN 108 N -2.81 0.00 -0.66 1.61 6.02 -1.26 -1.26 117.38 119.02 1l8c n GLN 108 Ca -0.12 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.87 1l8c n GLN 108 Cb 0.61 -0.98 0.00 0.00 1.02 0.00 0.00 30.24 30.89 1l8c n GLN 108 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 1l8c n SER 109 N 4.78 -2.58 -0.04 1.08 7.64 -1.26 -4.79 113.62 118.45 1l8c n SER 109 Ca 0.26 0.00 -0.06 0.00 1.01 0.00 0.00 58.87 60.08 1l8c n SER 109 Cb 0.35 -2.69 0.13 0.00 -1.01 0.00 0.00 64.21 60.99 1l8c n SER 109 CO 0.00 0.00 0.00 0.24 -3.01 0.00 0.00 175.04 172.27 1l8c h MET 110 N 0.00 0.65 -0.90 1.43 2.86 -1.38 -0.32 114.93 117.28 1l8c h MET 110 Ca 0.00 -0.26 0.08 0.00 -2.06 0.00 0.00 59.70 57.46 1l8c h MET 110 Cb 0.43 -0.03 -0.07 0.00 0.06 0.00 0.00 31.60 31.99 1l8c h MET 110 CO 0.00 0.84 0.55 0.22 1.06 0.00 0.00 176.91 179.58 1l8c h ASP 111 N 0.57 0.84 0.22 1.22 3.58 -1.83 -3.18 116.42 117.85 1l8c h ASP 111 Ca 0.08 0.03 -0.01 0.00 0.42 0.00 0.00 57.03 57.55 1l8c h ASP 111 Cb 0.72 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 41.63 1l8c h ASP 111 CO 0.06 0.51 -0.11 -0.33 -2.88 0.00 0.00 179.24 176.48 1l8c h GLU 112 N 0.96 -0.29 0.00 0.28 4.39 -1.79 -3.49 114.58 114.64 1l8c h GLU 112 Ca 0.41 0.02 0.00 0.00 0.34 0.00 0.00 59.36 60.13 1l8c h GLU 112 Cb 0.28 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 28.99 1l8c h GLU 112 CO -0.21 -0.19 0.00 -1.13 -1.16 0.00 0.00 179.01 176.32 1l8c n SER 113 N -4.72 -1.53 0.00 1.42 3.41 -0.27 -5.08 113.62 106.85 1l8c n SER 113 Ca -0.04 0.38 0.00 0.00 -0.26 0.00 0.00 58.87 58.96 1l8c n SER 113 Cb 0.12 1.67 0.00 0.00 -0.26 0.00 0.00 64.21 65.74 1l8c n SER 113 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1l8c n GLY 114 N -1.38 -0.79 3.00 5.00 0.00 -0.36 -4.71 105.19 105.95 1l8c n GLY 114 Ca 0.00 0.40 -0.12 0.00 0.00 0.00 0.00 46.02 46.30 1l8c n GLY 114 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1l8c s LEU 115 N 0.00 1.60 0.88 0.99 1.43 -1.26 -4.36 118.68 117.95 1l8c s LEU 115 Ca 0.00 0.17 -0.11 0.00 -1.03 0.00 0.00 54.13 53.15 1l8c s LEU 115 Cb 0.00 0.39 0.17 0.00 0.03 0.00 0.00 46.19 46.78 1l8c s LEU 115 CO 0.00 -0.07 1.21 -2.16 0.23 0.00 0.00 176.35 175.56 1l8c s PRO 116 N -0.11 1.04 -0.61 1.29 0.04 -1.26 -5.04 135.00 130.34 1l8c s PRO 116 Ca -0.02 -0.59 0.06 0.00 0.04 0.00 0.00 61.00 60.49 1l8c s PRO 116 Cb -0.02 -2.00 0.28 0.00 0.04 0.00 0.00 34.50 32.81 1l8c s PRO 116 CO 0.00 -2.07 0.82 1.04 0.04 0.00 0.00 177.00 176.83 1l8c n GLN 117 N -3.45 2.78 -1.10 4.56 6.02 -1.26 -5.09 117.38 119.83 1l8c n GLN 117 Ca 0.15 -4.73 -0.30 0.00 -0.01 0.00 0.00 57.00 52.11 1l8c n GLN 117 Cb 0.60 -2.24 0.15 0.00 1.02 0.00 0.00 30.24 29.77 1l8c n GLN 117 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1l8c s LEU 118 N -2.84 2.12 0.17 1.08 1.43 -1.26 -5.09 118.68 114.29 1l8c s LEU 118 Ca 0.43 1.52 0.00 0.00 -1.03 0.00 0.00 54.13 55.05 1l8c s LEU 118 Cb 0.20 -3.87 -0.04 0.00 0.03 0.00 0.00 46.19 42.50 1l8c s LEU 118 CO -0.06 -2.85 0.06 0.42 0.23 0.00 0.00 176.35 174.15 1l8c s THR 119 N -2.87 0.29 0.16 5.49 -4.23 -1.26 -5.03 115.64 108.19 1l8c s THR 119 Ca 0.64 -1.96 -0.18 0.00 -1.18 0.00 0.00 61.69 59.02 1l8c s THR 119 Cb -0.19 -2.23 0.08 0.00 1.34 0.00 0.00 72.50 71.50 1l8c s THR 119 CO 0.58 -0.31 1.67 0.77 -0.54 0.00 0.00 174.62 176.78 1l8c h SER 120 N 2.71 -0.40 0.03 3.99 4.64 -1.99 -1.63 113.55 120.89 1l8c h SER 120 Ca -0.36 0.12 0.03 0.00 -0.47 0.00 0.00 61.79 61.10 1l8c h SER 120 Cb 1.22 0.25 -0.05 0.00 -0.31 0.00 0.00 62.40 63.50 1l8c h SER 120 CO 0.59 -0.14 -0.43 0.22 -0.87 0.00 0.00 176.83 176.19 1l8c h TYR 121 N -0.03 -1.24 -0.23 4.77 3.20 -1.99 -0.91 116.97 120.55 1l8c h TYR 121 Ca 0.18 0.04 0.06 0.00 3.14 0.00 0.00 58.73 62.15 1l8c h TYR 121 Cb 0.30 0.54 -0.06 0.00 1.54 0.00 0.00 36.73 39.04 1l8c h TYR 121 CO -0.35 -0.51 -0.20 -0.44 -1.64 0.00 0.00 178.16 175.02 1l8c h ASP 122 N -0.61 -0.64 -0.03 -2.11 3.32 -1.87 -1.03 116.42 113.45 1l8c h ASP 122 Ca 0.04 0.12 0.01 0.00 0.02 0.00 0.00 57.03 57.22 1l8c h ASP 122 Cb 0.67 0.31 -0.01 0.00 0.22 0.00 0.00 39.33 40.52 1l8c h ASP 122 CO -0.31 -0.24 -0.02 0.00 -1.72 0.00 0.00 179.24 176.96 1l8c h GLU 124 N -0.02 0.04 0.24 0.00 5.08 -0.96 -1.26 114.58 117.71 1l8c h GLU 124 Ca 0.02 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 1l8c h GLU 124 Cb 0.05 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1l8c h GLU 124 CO -0.05 0.03 -0.12 0.28 -1.00 0.00 0.00 179.01 178.15 1l8c h VAL 125 N 0.04 0.76 -0.11 3.13 2.07 -1.08 -2.92 116.25 118.14 1l8c h VAL 125 Ca 0.11 0.00 -0.20 0.00 0.82 0.00 0.00 66.70 67.43 1l8c h VAL 125 Cb 0.15 0.76 0.00 0.00 -1.52 0.00 0.00 31.29 30.68 1l8c h VAL 125 CO -0.20 0.00 -0.75 0.78 0.02 0.00 0.00 177.57 177.41 1l8c h ASN 126 N -0.33 0.68 -2.33 0.57 2.35 -1.11 -3.40 115.58 112.02 1l8c h ASN 126 Ca -0.03 -0.44 -0.59 0.00 -0.55 0.00 0.00 56.30 54.69 1l8c h ASN 126 Cb 0.25 -0.20 -0.40 0.00 0.05 0.00 0.00 38.32 38.02 1l8c h ASN 126 CO 0.05 1.21 -0.90 0.00 -1.65 0.00 0.00 177.43 176.15 1l8c n ALA 127 N -2.55 3.00 -1.65 -0.83 0.00 -0.48 -5.09 120.51 112.91 1l8c n ALA 127 Ca -0.06 -3.70 -0.50 0.00 0.00 0.00 0.00 53.44 49.19 1l8c n ALA 127 Cb 0.73 -0.84 -0.05 0.00 0.00 0.00 0.00 19.45 19.28 1l8c n ALA 127 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1l8c n PRO 128 N 1.91 1.64 -2.30 0.00 -0.02 -1.10 -4.69 135.00 130.44 1l8c n PRO 128 Ca 0.25 0.60 -0.42 0.00 -2.02 0.00 0.00 63.50 61.91 1l8c n PRO 128 Cb 0.46 -2.32 -0.03 0.00 -0.02 0.00 0.00 33.50 31.60 1l8c n PRO 128 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1l8c s ILE 129 N 1.65 3.71 0.77 4.25 1.01 -1.26 -5.03 121.20 126.29 1l8c s ILE 129 Ca 0.86 1.22 -0.12 0.00 0.00 0.00 0.00 60.65 62.61 1l8c s ILE 129 Cb -0.84 -3.78 0.06 0.00 0.01 0.00 0.00 42.46 37.91 1l8c s ILE 129 CO 0.47 0.09 1.11 -1.58 0.00 0.00 0.00 174.94 175.03 1l8c s GLN 130 N 1.19 2.16 6.02 2.79 2.00 -1.26 -4.81 119.66 127.75 1l8c s GLN 130 Ca 0.61 1.33 0.00 0.00 -2.00 0.00 0.00 55.36 55.30 1l8c s GLN 130 Cb -0.33 -1.88 0.00 0.00 0.80 0.00 0.00 33.01 31.61 1l8c s GLN 130 CO 0.29 -1.74 0.00 0.41 -0.50 0.00 0.00 175.29 173.76 1l8c n GLY 131 N -0.69 1.86 2.30 2.59 0.00 -1.26 -4.31 105.19 105.68 1l8c n GLY 131 Ca 0.10 -0.52 -0.23 0.00 0.00 0.00 0.00 46.02 45.37 1l8c n GLY 131 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1l8c n SER 132 N 4.17 1.38 -4.03 1.61 7.64 -1.26 -5.08 113.62 118.05 1l8c n SER 132 Ca 0.00 -3.01 -0.09 0.00 1.01 0.00 0.00 58.87 56.79 1l8c n SER 132 Cb 0.00 -0.63 -0.09 0.00 -1.01 0.00 0.00 64.21 62.48 1l8c n SER 132 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1l8c s ARG 133 N -1.98 0.85 0.00 1.43 0.52 -1.26 -5.10 118.95 113.41 1l8c s ARG 133 Ca 0.39 -1.22 0.00 0.00 -0.52 0.00 0.00 55.73 54.38 1l8c s ARG 133 Cb 0.23 0.28 0.00 0.00 0.52 0.00 0.00 34.95 35.98 1l8c s ARG 133 CO -0.09 -0.24 0.00 -1.71 0.02 0.00 0.00 175.30 173.28 1l8c n ASN 134 N -0.04 0.00 -4.20 0.23 2.85 -1.26 -4.82 115.26 108.02 1l8c n ASN 134 Ca -0.10 0.00 -0.29 0.00 -0.11 0.00 0.00 54.58 54.08 1l8c n ASN 134 Cb 0.62 0.02 -0.16 0.00 1.24 0.00 0.00 39.78 41.50 1l8c n ASN 134 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 1l8c s LEU 135 N -4.00 1.99 -0.21 1.20 1.43 -1.26 -5.06 118.68 112.78 1l8c s LEU 135 Ca 0.00 -0.43 0.01 0.00 -1.03 0.00 0.00 54.13 52.69 1l8c s LEU 135 Cb 0.00 -1.16 0.04 0.00 0.03 0.00 0.00 46.19 45.10 1l8c s LEU 135 CO 0.00 0.20 -0.13 -0.22 0.23 0.00 0.00 176.35 176.43 1l8c s LEU 136 N -0.09 2.55 0.19 1.79 1.98 -1.26 -5.13 118.68 118.71 1l8c s LEU 136 Ca -0.03 -0.96 -0.10 0.00 -2.89 0.00 0.00 54.13 50.16 1l8c s LEU 136 Cb -0.12 -1.38 -0.01 0.00 0.66 0.00 0.00 46.19 45.34 1l8c s LEU 136 CO 0.03 -0.12 0.33 0.00 -1.89 0.00 0.00 176.35 174.70 1l8c s GLN 137 N 1.29 1.26 4.62 1.98 -2.07 -1.26 -4.79 119.66 120.69 1l8c s GLN 137 Ca -0.02 -1.21 0.00 0.00 -1.82 0.00 0.00 55.36 52.31 1l8c s GLN 137 Cb -0.16 0.40 0.00 0.00 -1.09 0.00 0.00 33.01 32.15 1l8c s GLN 137 CO -0.09 -0.48 0.00 0.41 -1.32 0.00 0.00 175.29 173.81 1l8c n GLY 138 N -0.27 1.31 0.38 2.60 0.00 -1.26 -3.68 105.19 104.28 1l8c n GLY 138 Ca -0.05 -0.71 0.14 0.00 0.00 0.00 0.00 46.02 45.40 1l8c n GLY 138 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1l8c h GLU 139 N 0.00 0.53 -0.98 1.61 4.81 -2.02 -1.71 114.58 116.82 1l8c h GLU 139 Ca 0.00 -0.03 0.20 0.00 -0.13 0.00 0.00 59.36 59.40 1l8c h GLU 139 Cb 0.00 -0.12 -0.09 0.00 0.63 0.00 0.00 28.75 29.17 1l8c h GLU 139 CO 0.00 0.35 0.62 0.93 -0.73 0.00 0.00 179.01 180.17 1l8c h GLU 140 N 0.54 0.63 0.33 1.92 5.08 -1.98 -2.35 114.58 118.75 1l8c h GLU 140 Ca 0.42 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.74 1l8c h GLU 140 Cb 0.84 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.94 1l8c h GLU 140 CO -0.17 0.42 -0.33 -0.07 -1.00 0.00 0.00 179.01 177.85 1l8c h LEU 141 N 0.65 -0.92 -0.77 1.33 3.38 -1.49 -1.21 115.31 116.29 1l8c h LEU 141 Ca 0.55 0.07 0.10 0.00 0.09 0.00 0.00 57.88 58.70 1l8c h LEU 141 Cb 1.01 0.30 -0.08 0.00 0.09 0.00 0.00 40.66 41.99 1l8c h LEU 141 CO -0.32 -0.44 0.41 -0.07 0.09 0.00 0.00 178.44 178.11 1l8c h LEU 142 N -0.66 0.54 -0.22 1.67 3.38 -1.58 0.93 115.31 119.37 1l8c h LEU 142 Ca -0.04 0.06 0.04 0.00 0.09 0.00 0.00 57.88 58.03 1l8c h LEU 142 Cb 0.57 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.26 1l8c h LEU 142 CO -0.05 0.29 -0.03 0.03 0.09 0.00 0.00 178.44 178.78 1l8c h ARG 143 N 0.66 0.03 -0.10 1.13 3.08 -1.34 -0.49 114.38 117.35 1l8c h ARG 143 Ca 0.39 -0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.43 1l8c h ARG 143 Cb 0.43 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.46 1l8c h ARG 143 CO -0.28 0.02 0.05 0.00 -1.07 0.00 0.00 179.97 178.69 1l8c h ALA 144 N 1.20 0.14 -0.81 0.04 0.00 -0.10 -2.94 119.26 116.79 1l8c h ALA 144 Ca 0.10 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 54.97 1l8c h ALA 144 Cb 0.14 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.85 1l8c h ALA 144 CO -0.20 -0.30 0.52 -0.07 0.00 0.00 0.00 179.25 179.21 1l8c h LEU 145 N 0.04 0.88 -1.78 0.00 3.38 -0.69 -2.80 115.31 114.34 1l8c h LEU 145 Ca 0.04 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 1l8c h LEU 145 Cb 0.13 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 1l8c h LEU 145 CO -0.00 0.61 -0.16 -0.78 0.09 0.00 0.00 178.44 178.20 1l8c h ASP 146 N 1.03 0.00 0.02 -0.43 3.58 -1.03 -3.19 116.42 116.40 1l8c h ASP 146 Ca 0.32 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.77 1l8c h ASP 146 Cb -0.02 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.03 1l8c h ASP 146 CO -0.10 0.16 0.00 0.00 -2.88 0.00 0.00 179.24 176.41 1l8c n GLN 147 N -4.05 0.11 0.42 0.28 10.64 -1.06 -2.73 117.38 120.99 1l8c n GLN 147 Ca -0.02 0.60 -0.17 0.00 -1.83 0.00 0.00 57.00 55.58 1l8c n GLN 147 Cb 0.24 -1.85 -0.08 0.00 -0.86 0.00 0.00 30.24 27.69 1l8c n GLN 147 CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.06 175.51 1l8c h VAL 148 N 0.00 0.04 0.00 -0.39 2.07 -1.75 -3.53 116.25 112.70 1l8c h VAL 148 Ca 0.00 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.33 1l8c h VAL 148 Cb 0.01 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 29.84 1l8c h VAL 148 CO 0.00 0.00 0.00 -0.46 0.02 0.00 0.00 177.57 177.13