#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mud h ALA -1 N 0.00 0.44 -0.12 4.61 0.00 -2.05 -0.96 119.26 121.18 3mud h ALA -1 Ca 0.00 0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 3mud h ALA -1 Cb 0.00 0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 3mud h ALA -1 CO 0.00 -0.40 0.03 0.77 0.00 0.00 0.00 179.25 179.65 3mud h SER 0 N 0.09 0.17 -0.70 0.00 0.02 -2.06 -1.02 113.55 110.05 3mud h SER 0 Ca 0.25 -0.21 -0.04 0.00 -0.84 0.00 0.00 61.79 60.95 3mud h SER 0 Cb 0.38 -0.05 -0.03 0.00 0.14 0.00 0.00 62.40 62.84 3mud h SER 0 CO -0.44 0.34 0.30 0.24 -1.14 0.00 0.00 176.83 176.13 3mud h MET 1 N -0.00 1.03 -0.73 3.45 2.86 -1.94 -1.45 114.93 118.14 3mud h MET 1 Ca 0.04 -0.18 -0.02 0.00 -2.06 0.00 0.00 59.70 57.49 3mud h MET 1 Cb 0.23 -0.17 -0.04 0.00 0.06 0.00 0.00 31.60 31.68 3mud h MET 1 CO -0.00 0.84 0.40 -0.44 1.06 0.00 0.00 176.91 178.77 3mud h ASP 2 N 0.99 0.91 0.36 1.22 3.32 -1.11 -1.51 116.42 120.60 3mud h ASP 2 Ca 0.24 -0.08 -0.14 0.00 0.02 0.00 0.00 57.03 57.07 3mud h ASP 2 Cb 0.18 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 3mud h ASP 2 CO -0.02 0.74 -0.57 0.00 -1.72 0.00 0.00 179.24 177.66 3mud h ALA 3 N 1.41 0.91 -0.29 3.45 0.00 -0.64 -0.90 119.26 123.20 3mud h ALA 3 Ca 0.26 -0.52 -0.10 0.00 0.00 0.00 0.00 54.91 54.55 3mud h ALA 3 Cb 0.03 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3mud h ALA 3 CO -0.04 0.71 -0.21 0.82 0.00 0.00 0.00 179.25 180.52 3mud h ILE 4 N 0.16 1.30 -0.47 0.00 2.04 -0.89 -0.76 117.51 118.90 3mud h ILE 4 Ca -0.00 -1.35 0.00 0.00 1.00 0.00 0.00 64.86 64.51 3mud h ILE 4 Cb 1.05 1.53 -0.02 0.00 -0.74 0.00 0.00 36.82 38.64 3mud h ILE 4 CO 0.09 0.43 0.31 0.11 0.00 0.00 0.00 178.15 179.09 3mud h LYS 5 N 0.40 0.62 0.01 2.37 1.57 -1.20 -0.44 116.57 119.90 3mud h LYS 5 Ca 0.06 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.81 3mud h LYS 5 Cb 0.76 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.92 3mud h LYS 5 CO 0.06 0.42 -0.07 -0.22 -0.57 0.00 0.00 179.45 179.06 3mud h LYS 6 N 0.64 -0.12 -0.55 3.15 1.63 -1.08 -1.45 116.57 118.77 3mud h LYS 6 Ca 0.17 0.01 0.10 0.00 -0.85 0.00 0.00 60.65 60.08 3mud h LYS 6 Cb -0.07 0.03 -0.08 0.00 -0.60 0.00 0.00 32.23 31.51 3mud h LYS 6 CO -0.04 -0.08 0.11 -0.22 -3.45 0.00 0.00 179.45 175.77 3mud h LYS 7 N -0.13 0.23 -0.83 1.90 1.63 -0.93 -0.38 116.57 118.07 3mud h LYS 7 Ca 0.03 -0.01 0.06 0.00 -0.85 0.00 0.00 60.65 59.87 3mud h LYS 7 Cb 0.16 -0.05 -0.06 0.00 -0.60 0.00 0.00 32.23 31.68 3mud h LYS 7 CO -0.07 0.16 0.51 1.98 -3.45 0.00 0.00 179.45 178.57 3mud h MET 8 N 0.24 0.89 -0.09 1.90 4.05 -0.66 -0.68 114.93 120.58 3mud h MET 8 Ca 0.28 -0.05 -0.14 0.00 -0.28 0.00 0.00 59.70 59.51 3mud h MET 8 Cb 0.41 -0.20 -0.01 0.00 -0.80 0.00 0.00 31.60 30.99 3mud h MET 8 CO -0.37 0.59 -0.56 1.96 0.23 0.00 0.00 176.91 178.76 3mud h GLN 9 N 0.92 0.27 -0.14 0.39 4.20 -0.42 -1.40 115.11 118.93 3mud h GLN 9 Ca 0.36 -0.17 -0.04 0.00 0.06 0.00 0.00 58.65 58.86 3mud h GLN 9 Cb 0.18 0.02 -0.00 0.00 0.30 0.00 0.00 27.48 27.98 3mud h GLN 9 CO -0.18 0.76 -0.07 0.52 -0.67 0.00 0.00 178.83 179.20 3mud h MET 10 N 0.21 0.29 -0.51 1.46 2.86 -0.72 -2.65 114.93 115.87 3mud h MET 10 Ca 0.00 -0.13 0.02 0.00 -2.06 0.00 0.00 59.70 57.54 3mud h MET 10 Cb 1.05 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.67 3mud h MET 10 CO 0.09 0.62 0.31 -0.07 1.06 0.00 0.00 176.91 178.92 3mud h LEU 11 N -0.05 0.50 -0.10 1.22 3.38 -1.08 -0.15 115.31 119.04 3mud h LEU 11 Ca 0.03 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.02 3mud h LEU 11 Cb 0.53 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 3mud h LEU 11 CO 0.02 0.36 -0.03 0.50 0.09 0.00 0.00 178.44 179.38 3mud h LYS 12 N 0.62 -0.01 -0.25 1.13 3.64 -1.25 -0.04 116.57 120.41 3mud h LYS 12 Ca 0.20 0.00 -0.16 0.00 -1.27 0.00 0.00 60.65 59.42 3mud h LYS 12 Cb 0.01 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 3mud h LYS 12 CO -0.09 -0.01 -0.50 1.25 -2.27 0.00 0.00 179.45 177.83 3mud h LEU 13 N -0.01 0.76 -0.70 5.20 5.85 -1.37 -1.26 115.31 123.79 3mud h LEU 13 Ca 0.05 -0.39 -0.07 0.00 0.84 0.00 0.00 57.88 58.31 3mud h LEU 13 Cb 0.08 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 40.87 3mud h LEU 13 CO -0.10 1.13 0.17 0.44 -0.34 0.00 0.00 178.44 179.74 3mud h ASP 14 N 0.54 1.06 -0.05 1.25 3.32 -0.83 0.29 116.42 121.99 3mud h ASP 14 Ca 0.02 -0.23 -0.01 0.00 0.02 0.00 0.00 57.03 56.83 3mud h ASP 14 Cb 1.07 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 40.33 3mud h ASP 14 CO 0.10 1.01 0.00 0.50 -1.72 0.00 0.00 179.24 179.14 3mud h LYS 15 N 1.05 0.10 -0.56 3.56 3.64 -0.93 -1.71 116.57 121.71 3mud h LYS 15 Ca 0.22 -0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.59 3mud h LYS 15 Cb 0.37 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.14 3mud h LYS 15 CO 0.00 0.37 0.34 0.93 -2.27 0.00 0.00 179.45 178.82 3mud h GLU 16 N -0.19 0.65 -0.53 1.90 5.08 -1.08 -0.04 114.58 120.37 3mud h GLU 16 Ca 0.02 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.29 3mud h GLU 16 Cb 0.32 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 3mud h GLU 16 CO 0.00 0.43 0.15 -0.91 -1.00 0.00 0.00 179.01 177.69 3mud h ASN 17 N 0.67 0.79 -0.41 1.42 2.35 -0.97 -0.03 115.58 119.40 3mud h ASN 17 Ca 0.22 -0.22 -0.02 0.00 -0.55 0.00 0.00 56.30 55.74 3mud h ASN 17 Cb 0.02 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.16 3mud h ASN 17 CO -0.10 0.80 0.18 0.00 -1.65 0.00 0.00 177.43 176.66 3mud h ALA 18 N 1.02 0.54 -0.27 -0.83 0.00 -1.01 -0.94 119.26 117.77 3mud h ALA 18 Ca 0.17 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 3mud h ALA 18 Cb 0.30 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3mud h ALA 18 CO -0.00 0.12 0.00 -0.07 0.00 0.00 0.00 179.25 179.30 3mud h LEU 19 N 0.52 0.36 -0.51 0.00 3.38 -0.87 -0.96 115.31 117.25 3mud h LEU 19 Ca 0.14 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 3mud h LEU 19 Cb 0.16 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 3mud h LEU 19 CO -0.01 0.43 0.18 -0.78 0.09 0.00 0.00 178.44 178.34 3mud h ASP 20 N 0.39 0.72 -0.09 -0.43 3.58 -0.50 -1.73 116.42 118.36 3mud h ASP 20 Ca 0.09 -0.19 -0.01 0.00 0.42 0.00 0.00 57.03 57.34 3mud h ASP 20 Cb 0.25 -0.19 -0.00 0.00 1.72 0.00 0.00 39.33 41.11 3mud h ASP 20 CO 0.01 0.72 0.02 -0.09 -2.88 0.00 0.00 179.24 177.01 3mud h ARG 21 N 0.69 0.14 -1.00 0.28 2.43 -0.71 -1.62 114.38 114.59 3mud h ARG 21 Ca 0.17 -0.03 0.08 0.00 -0.81 0.00 0.00 59.98 59.39 3mud h ARG 21 Cb 0.24 -0.02 -0.07 0.00 -0.42 0.00 0.00 29.97 29.69 3mud h ARG 21 CO -0.01 0.32 0.64 0.00 -1.51 0.00 0.00 179.97 179.42 3mud h ALA 22 N 0.81 1.43 -0.31 2.80 0.00 -1.09 -0.28 119.26 122.63 3mud h ALA 22 Ca 0.03 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.76 3mud h ALA 22 Cb 0.24 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 3mud h ALA 22 CO 0.00 0.37 -0.49 0.93 0.00 0.00 0.00 179.25 180.06 3mud h GLU 23 N 1.11 0.84 -0.44 0.00 5.08 -1.19 -2.16 114.58 117.82 3mud h GLU 23 Ca 0.46 -0.50 -0.11 0.00 -1.00 0.00 0.00 59.36 58.21 3mud h GLU 23 Cb 0.28 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 3mud h GLU 23 CO -0.21 1.14 -0.16 0.37 -1.00 0.00 0.00 179.01 179.15 3mud h GLN 24 N 0.66 0.88 -0.45 2.33 5.75 -0.81 -2.04 115.11 121.43 3mud h GLN 24 Ca 0.03 -0.36 -0.04 0.00 -0.15 0.00 0.00 58.65 58.13 3mud h GLN 24 Cb 1.08 -0.04 -0.02 0.00 1.07 0.00 0.00 27.48 29.57 3mud h GLN 24 CO 0.11 1.01 0.14 0.00 -2.65 0.00 0.00 178.83 177.44 3mud h ALA 25 N 0.85 0.59 -0.31 3.38 0.00 -1.04 -2.08 119.26 120.65 3mud h ALA 25 Ca 0.10 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.75 3mud h ALA 25 Cb 0.71 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 3mud h ALA 25 CO 0.05 0.24 -0.18 0.93 0.00 0.00 0.00 179.25 180.30 3mud h GLU 26 N 0.60 0.57 -0.03 0.00 5.08 -1.39 -0.10 114.58 119.31 3mud h GLU 26 Ca 0.15 -0.20 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3mud h GLU 26 Cb 0.26 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.47 3mud h GLU 26 CO -0.00 0.73 0.01 0.00 -1.00 0.00 0.00 179.01 178.74 3mud h ALA 27 N 1.29 0.04 -0.47 3.43 0.00 -1.22 -0.69 119.26 121.65 3mud h ALA 27 Ca 0.08 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 3mud h ALA 27 Cb 0.61 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 3mud h ALA 27 CO 0.04 -0.33 0.22 -0.44 0.00 0.00 0.00 179.25 178.75 3mud h ASP 28 N -0.19 0.62 -0.77 0.00 3.32 -1.29 0.54 116.42 118.65 3mud h ASP 28 Ca 0.01 -0.13 -0.03 0.00 0.02 0.00 0.00 57.03 56.90 3mud h ASP 28 Cb 0.26 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 39.61 3mud h ASP 28 CO 0.00 0.58 0.37 0.50 -1.72 0.00 0.00 179.24 178.96 3mud h LYS 29 N 0.61 1.11 -0.79 3.56 3.64 -0.91 -0.25 116.57 123.54 3mud h LYS 29 Ca 0.16 -0.17 -0.04 0.00 -1.27 0.00 0.00 60.65 59.34 3mud h LYS 29 Cb 0.13 -0.20 -0.04 0.00 -0.41 0.00 0.00 32.23 31.71 3mud h LYS 29 CO -0.02 0.87 0.34 -0.44 -2.27 0.00 0.00 179.45 177.93 3mud h ASP 215 N 1.09 1.07 -0.67 4.20 3.32 -0.76 -0.23 116.42 124.44 3mud h ASP 215 Ca 0.26 -0.16 -0.01 0.00 0.02 0.00 0.00 57.03 57.15 3mud h ASP 215 Cb 0.12 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.37 3mud h ASP 215 CO -0.03 0.93 0.39 0.15 -1.72 0.00 0.00 179.24 178.95 3mud h PHE 216 N 1.13 0.89 -0.28 4.55 3.57 0.76 0.50 116.94 128.07 3mud h PHE 216 Ca 0.27 -0.01 -0.15 0.00 3.53 0.00 0.00 57.97 61.61 3mud h PHE 216 Cb 0.17 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 38.62 3mud h PHE 216 CO 0.02 0.62 -0.41 1.88 -2.23 0.00 0.00 178.31 178.18 3mud h TYR 217 N 0.91 0.83 -0.36 0.41 0.05 -1.00 -3.11 116.97 114.70 3mud h TYR 217 Ca 0.24 -0.25 -0.08 0.00 0.05 0.00 0.00 58.73 58.69 3mud h TYR 217 Cb -0.00 -0.17 -0.02 0.00 1.01 0.00 0.00 36.73 37.55 3mud h TYR 217 CO -0.01 0.99 -0.12 0.35 -1.05 0.00 0.00 178.16 178.32 3mud h PHE 218 N 0.56 0.67 0.00 4.88 3.57 -0.08 -2.53 116.94 124.02 3mud h PHE 218 Ca 0.04 -0.11 0.00 0.00 3.53 0.00 0.00 57.97 61.43 3mud h PHE 218 Cb 0.95 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 39.51 3mud h PHE 218 CO 0.05 0.71 0.00 0.78 -2.23 0.00 0.00 178.31 177.62 3mud h GLY 219 N 0.96 0.00 0.61 2.40 0.00 0.02 -1.38 103.07 105.67 3mud h GLY 219 Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.14 3mud h GLY 219 CO 0.03 0.00 -1.49 0.07 0.00 0.00 0.00 176.54 175.15 3mud h LYS 220 N 0.00 0.26 -0.25 4.80 5.09 -1.40 -3.16 116.57 121.91 3mud h LYS 220 Ca 0.00 -0.45 -0.13 0.00 0.09 0.00 0.00 60.65 60.16 3mud h LYS 220 Cb 0.40 0.17 -0.01 0.00 0.10 0.00 0.00 32.23 32.89 3mud h LYS 220 CO 0.00 1.22 -0.38 -0.07 -2.09 0.00 0.00 179.45 178.13 3mud h LEU 221 N -0.23 0.60 -0.64 7.07 4.07 -1.32 0.33 115.31 125.18 3mud h LEU 221 Ca -0.32 -0.26 0.00 0.00 0.08 0.00 0.00 57.88 57.39 3mud h LEU 221 Cb 1.82 -0.17 0.00 0.00 1.08 0.00 0.00 40.66 43.39 3mud h LEU 221 CO 0.08 0.92 0.00 0.03 -1.08 0.00 0.00 178.44 178.38 3mud h ARG 222 N 0.47 0.00 0.04 1.13 3.08 -1.42 -1.34 114.38 116.34 3mud h ARG 222 Ca 0.04 0.00 -0.36 0.00 0.07 0.00 0.00 59.98 59.73 3mud h ARG 222 Cb 0.87 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.87 3mud h ARG 222 CO 0.07 0.00 -2.19 -1.71 -1.07 0.00 0.00 179.97 175.07 3mud n ASN 223 N -2.32 1.52 -0.05 7.04 5.15 -0.86 -3.46 115.26 122.28 3mud n ASN 223 Ca 0.03 0.08 -0.16 0.00 -0.60 0.00 0.00 54.58 53.92 3mud n ASN 223 Cb 0.27 -0.26 -0.05 0.00 -0.53 0.00 0.00 39.78 39.21 3mud n ASN 223 CO 0.00 0.00 0.00 0.40 1.40 0.00 0.00 177.26 179.06 3mud h ILE 224 N 0.02 1.27 0.00 -1.44 5.03 -0.29 -2.50 117.51 119.60 3mud h ILE 224 Ca -0.48 -1.84 -0.03 0.00 -0.12 0.00 0.00 64.86 62.38 3mud h ILE 224 Cb 2.02 1.79 -0.00 0.00 -3.03 0.00 0.00 36.82 37.60 3mud h ILE 224 CO 0.01 0.59 -0.16 -0.33 -0.68 0.00 0.00 178.15 177.59 3mud h GLU 225 N 0.61 0.00 -0.17 2.37 3.07 -1.45 -2.48 114.58 116.54 3mud h GLU 225 Ca -0.02 0.00 -0.16 0.00 -0.50 0.00 0.00 59.36 58.68 3mud h GLU 225 Cb 1.28 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.18 3mud h GLU 225 CO 0.14 0.16 -0.56 1.25 -1.40 0.00 0.00 179.01 178.60 3mud h LEU 226 N 0.00 0.58 -0.65 1.33 6.46 -1.56 -2.97 115.31 118.49 3mud h LEU 226 Ca -0.00 -0.31 -0.14 0.00 -0.12 0.00 0.00 57.88 57.30 3mud h LEU 226 Cb 0.72 -0.17 -0.01 0.00 -0.73 0.00 0.00 40.66 40.47 3mud h LEU 226 CO 0.02 1.02 -0.51 0.40 -0.62 0.00 0.00 178.44 178.75 3mud h ILE 227 N 0.39 1.33 -0.14 4.05 2.04 -1.13 -3.22 117.51 120.83 3mud h ILE 227 Ca 0.00 -1.74 -0.12 0.00 1.00 0.00 0.00 64.86 64.00 3mud h ILE 227 Cb 1.10 1.76 -0.01 0.00 -0.74 0.00 0.00 36.82 38.93 3mud h ILE 227 CO 0.10 0.53 -0.44 0.00 0.00 0.00 0.00 178.15 178.34 3mud s GLN 229 N -4.10 4.01 0.00 0.00 0.74 -1.13 -5.12 119.66 114.06 3mud s GLN 229 Ca -0.05 2.35 0.00 0.00 0.05 0.00 0.00 55.36 57.71 3mud s GLN 229 Cb 0.13 -4.13 0.00 0.00 1.10 0.00 0.00 33.01 30.11 3mud s GLN 229 CO 0.79 -1.08 0.00 0.39 -0.55 0.00 0.00 175.29 174.84