#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3abl s TYR 3 N 0.00 3.48 0.46 1.57 2.02 -1.26 -5.08 117.35 118.54 3abl s TYR 3 Ca 0.00 0.27 -0.24 0.00 -0.37 0.00 0.00 57.07 56.73 3abl s TYR 3 Cb 0.00 -1.81 -0.07 0.00 -0.40 0.00 0.00 41.96 39.68 3abl s TYR 3 CO 0.00 0.31 1.36 -1.21 -1.57 0.00 0.00 175.55 174.44 3abl s GLU 4 N -3.76 3.62 0.12 -0.62 0.41 -1.26 -5.04 118.70 112.17 3abl s GLU 4 Ca 0.38 2.26 0.05 0.00 -0.41 0.00 0.00 54.97 57.25 3abl s GLU 4 Cb -0.10 -2.56 -0.04 0.00 -1.78 0.00 0.00 34.13 29.65 3abl s GLU 4 CO 0.31 -0.81 -0.13 -1.21 -0.49 0.00 0.00 175.26 172.93 3abl s GLU 5 N -2.53 0.99 0.00 1.61 2.02 -1.26 -4.64 118.70 114.88 3abl s GLU 5 Ca 0.63 -1.23 0.00 0.00 0.02 0.00 0.00 54.97 54.39 3abl s GLU 5 Cb -0.40 -0.80 0.00 0.00 0.10 0.00 0.00 34.13 33.02 3abl s GLU 5 CO 0.51 0.15 0.00 0.41 0.02 0.00 0.00 175.26 176.34 3abl n GLY 6 N 0.49 1.16 3.66 -1.39 0.00 -1.26 -4.71 105.19 103.14 3abl n GLY 6 Ca -0.15 -2.10 -0.46 0.00 0.00 0.00 0.00 46.02 43.31 3abl n GLY 6 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3abl n PRO 7 N 0.60 1.96 -0.25 1.61 -0.02 -1.26 -0.49 135.00 137.16 3abl n PRO 7 Ca 0.00 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 3abl n PRO 7 Cb 0.00 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.10 3abl n PRO 7 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3abl n GLY 8 N 2.55 2.46 0.00 -1.23 0.00 -1.26 -4.81 105.19 102.90 3abl n GLY 8 Ca 0.14 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.21 3abl n GLY 8 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3abl n LYS 9 N -2.00 1.97 -1.19 1.61 4.76 0.36 -4.46 118.16 119.20 3abl n LYS 9 Ca 0.00 -0.05 -0.26 0.00 -2.87 0.00 0.00 58.31 55.13 3abl n LYS 9 Cb 0.00 -1.15 0.13 0.00 -1.84 0.00 0.00 35.03 32.18 3abl n LYS 9 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 3abl n ASN 10 N -1.55 5.07 -3.94 4.39 6.94 -1.20 -4.62 115.26 120.35 3abl n ASN 10 Ca 0.00 -3.57 -0.11 0.00 -0.02 0.00 0.00 54.58 50.88 3abl n ASN 10 Cb 0.23 -0.88 -0.13 0.00 -2.36 0.00 0.00 39.78 36.65 3abl n ASN 10 CO 0.00 0.00 0.00 0.27 -1.03 0.00 0.00 177.26 176.50 3abl s ILE 11 N -3.58 0.12 -2.00 1.53 -4.36 -1.26 -5.06 121.20 106.59 3abl s ILE 11 Ca 0.56 -0.48 0.02 0.00 -0.26 0.00 0.00 60.65 60.48 3abl s ILE 11 Cb 0.46 -0.19 0.05 0.00 1.25 0.00 0.00 42.46 44.03 3abl s ILE 11 CO 0.06 -0.23 1.02 -0.81 0.24 0.00 0.00 174.94 175.23 3abl n PRO 12 N 2.33 0.96 -4.35 0.37 -0.04 -1.26 -4.82 135.00 128.19 3abl n PRO 12 Ca -0.18 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.10 3abl n PRO 12 Cb 0.57 -1.03 -0.10 0.00 -0.04 0.00 0.00 33.50 32.91 3abl n PRO 12 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 3abl s PHE 13 N -2.00 1.66 0.07 0.54 -0.12 -1.26 -5.14 117.98 111.72 3abl s PHE 13 Ca 0.02 -0.75 -0.10 0.00 -0.05 0.00 0.00 56.93 56.06 3abl s PHE 13 Cb 0.01 -0.90 -0.06 0.00 -0.63 0.00 0.00 43.02 41.45 3abl s PHE 13 CO 0.02 0.16 0.39 0.45 -0.05 0.00 0.00 175.22 176.19 3abl s SER 14 N -3.32 6.64 -0.25 1.98 0.15 -1.26 -4.96 113.70 112.68 3abl s SER 14 Ca 0.25 0.78 0.12 0.00 0.70 0.00 0.00 55.95 57.80 3abl s SER 14 Cb 0.03 -2.17 0.51 0.00 -1.71 0.00 0.00 66.02 62.67 3abl s SER 14 CO 0.08 0.19 1.44 1.33 1.20 0.00 0.00 173.24 177.48 3abl n VAL 15 N 0.99 2.44 0.11 4.45 0.24 -1.26 -4.64 118.33 120.66 3abl n VAL 15 Ca -0.09 -2.41 -0.13 0.00 -2.04 0.00 0.00 64.34 59.68 3abl n VAL 15 Cb 0.52 -0.30 -0.06 0.00 -1.47 0.00 0.00 33.84 32.53 3abl n VAL 15 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 3abl h GLU 16 N 1.22 -0.26 -5.08 7.34 4.57 -1.93 -3.40 114.58 117.03 3abl h GLU 16 Ca 0.14 0.02 -0.66 0.00 -1.18 0.00 0.00 59.36 57.67 3abl h GLU 16 Cb 1.57 0.06 -0.31 0.00 -0.16 0.00 0.00 28.75 29.91 3abl h GLU 16 CO 0.32 -0.18 -0.79 1.21 -1.18 0.00 0.00 179.01 178.39 3abl s ASN 17 N -4.96 3.70 0.46 1.04 3.84 -1.26 -5.01 114.94 112.75 3abl s ASN 17 Ca -0.14 -0.50 0.25 0.00 0.21 0.00 0.00 52.86 52.67 3abl s ASN 17 Cb 0.06 -1.60 1.05 0.00 -0.55 0.00 0.00 41.25 40.22 3abl s ASN 17 CO 0.65 0.02 1.88 0.07 -2.79 0.00 0.00 177.10 176.94 3abl h LYS 18 N 7.78 0.00 0.04 0.43 2.10 -1.95 0.39 116.57 125.36 3abl h LYS 18 Ca -0.40 0.00 -0.24 0.00 -2.00 0.00 0.00 60.65 58.01 3abl h LYS 18 Cb 1.16 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 32.51 3abl h LYS 18 CO 0.60 0.20 -0.95 -1.49 -2.00 0.00 0.00 179.45 175.82 3abl h TRP 19 N 0.00 0.88 -0.43 0.07 4.06 -1.97 -2.16 115.95 116.40 3abl h TRP 19 Ca -0.00 -0.51 -0.13 0.00 2.06 0.00 0.00 58.89 60.31 3abl h TRP 19 Cb 0.65 -0.09 -0.01 0.00 -1.00 0.00 0.00 29.16 28.71 3abl h TRP 19 CO 0.00 1.35 -0.27 -0.09 -3.56 0.00 0.00 178.44 175.87 3abl h ARG 20 N 0.16 0.91 -0.24 0.49 2.43 -1.89 -2.21 114.38 114.04 3abl h ARG 20 Ca -0.13 -0.41 0.04 0.00 -0.81 0.00 0.00 59.98 58.67 3abl h ARG 20 Cb 1.64 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 31.13 3abl h ARG 20 CO 0.19 1.06 0.02 1.25 -1.51 0.00 0.00 179.97 180.97 3abl h LEU 21 N 0.77 -0.06 -0.81 3.80 5.85 -1.00 -1.25 115.31 122.62 3abl h LEU 21 Ca 0.09 0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.87 3abl h LEU 21 Cb 0.83 0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.90 3abl h LEU 21 CO 0.07 0.00 0.53 0.25 -0.34 0.00 0.00 178.44 178.96 3abl h LEU 22 N 0.09 0.92 -0.15 2.25 5.85 -1.11 -0.28 115.31 122.89 3abl h LEU 22 Ca 0.11 -0.02 0.05 0.00 0.84 0.00 0.00 57.88 58.86 3abl h LEU 22 Cb 0.13 -0.23 -0.06 0.00 0.37 0.00 0.00 40.66 40.87 3abl h LEU 22 CO -0.18 0.67 -0.28 0.00 -0.34 0.00 0.00 178.44 178.32 3abl h ALA 23 N 1.30 -0.27 -0.39 1.25 0.00 -1.09 0.91 119.26 120.97 3abl h ALA 23 Ca 0.30 0.04 0.08 0.00 0.00 0.00 0.00 54.91 55.32 3abl h ALA 23 Cb -0.13 0.54 -0.09 0.00 0.00 0.00 0.00 17.79 18.11 3abl h ALA 23 CO -0.06 -0.74 -0.33 0.52 0.00 0.00 0.00 179.25 178.63 3abl h MET 24 N -0.33 -0.25 -0.13 0.00 2.86 -0.71 -1.62 114.93 114.75 3abl h MET 24 Ca 0.11 0.02 -0.13 0.00 -2.06 0.00 0.00 59.70 57.63 3abl h MET 24 Cb 0.50 0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.20 3abl h MET 24 CO -0.34 -0.17 -0.49 0.52 1.06 0.00 0.00 176.91 177.49 3abl h MET 25 N -0.26 0.34 -0.40 1.72 2.07 -0.92 -0.23 114.93 117.25 3abl h MET 25 Ca 0.17 -0.19 -0.07 0.00 -2.07 0.00 0.00 59.70 57.53 3abl h MET 25 Cb 0.54 0.01 -0.01 0.00 -1.87 0.00 0.00 31.60 30.27 3abl h MET 25 CO -0.54 0.76 -0.02 1.15 1.07 0.00 0.00 176.91 179.33 3abl h THR 26 N 0.27 1.26 -0.37 2.22 2.02 -0.59 -0.47 112.91 117.26 3abl h THR 26 Ca 0.01 -1.06 -0.02 0.00 0.77 0.00 0.00 66.41 66.11 3abl h THR 26 Cb 0.96 1.15 -0.02 0.00 -1.74 0.00 0.00 68.15 68.51 3abl h THR 26 CO 0.08 0.36 0.14 -0.07 0.37 0.00 0.00 175.52 176.40 3abl h LEU 27 N 0.55 0.51 0.16 2.58 3.38 -1.10 -0.73 115.31 120.66 3abl h LEU 27 Ca 0.11 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 3abl h LEU 27 Cb 0.51 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.13 3abl h LEU 27 CO 0.03 0.55 -0.08 0.15 0.09 0.00 0.00 178.44 179.18 3abl h PHE 28 N 0.45 -0.20 -0.11 1.13 3.57 -1.03 -0.02 116.94 120.73 3abl h PHE 28 Ca 0.12 -0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.55 3abl h PHE 28 Cb 0.20 0.06 -0.01 0.00 2.79 0.00 0.00 35.95 38.99 3abl h PHE 28 CO -0.00 -0.12 -0.25 0.74 -2.23 0.00 0.00 178.31 176.45 3abl h PHE 29 N -0.21 0.22 -0.10 0.41 -1.00 -1.22 -3.09 116.94 111.95 3abl h PHE 29 Ca -0.02 -0.04 -0.23 0.00 2.81 0.00 0.00 57.97 60.49 3abl h PHE 29 Cb 0.16 -0.06 0.01 0.00 3.61 0.00 0.00 35.95 39.68 3abl h PHE 29 CO 0.19 0.44 -0.85 0.78 -1.61 0.00 0.00 178.31 177.26 3abl h GLY 30 N 0.94 0.84 1.32 -1.45 0.00 -1.16 -2.22 103.07 101.35 3abl h GLY 30 Ca 0.03 -1.28 -0.01 0.00 0.00 0.00 0.00 47.33 46.08 3abl h GLY 30 CO 0.04 1.13 0.39 1.48 0.00 0.00 0.00 176.54 179.58 3abl h SER 31 N 0.48 0.79 -0.04 0.19 4.64 -0.97 0.24 113.55 118.88 3abl h SER 31 Ca -0.08 -0.05 -0.01 0.00 -0.47 0.00 0.00 61.79 61.18 3abl h SER 31 Cb 1.49 -0.20 -0.00 0.00 -0.31 0.00 0.00 62.40 63.38 3abl h SER 31 CO 0.17 0.62 -0.02 1.23 -0.87 0.00 0.00 176.83 177.96 3abl h GLY 32 N 0.95 0.09 1.12 -0.77 0.00 -1.47 -2.34 103.07 100.65 3abl h GLY 32 Ca 0.24 -0.08 0.04 0.00 0.00 0.00 0.00 47.33 47.53 3abl h GLY 32 CO -0.04 0.07 0.49 -2.75 0.00 0.00 0.00 176.54 174.31 3abl h PHE 33 N -0.35 0.85 0.03 5.60 3.57 -1.19 -3.09 116.94 122.35 3abl h PHE 33 Ca 0.01 0.02 -0.24 0.00 3.53 0.00 0.00 57.97 61.29 3abl h PHE 33 Cb 0.48 -0.28 0.01 0.00 2.79 0.00 0.00 35.95 38.95 3abl h PHE 33 CO 0.08 0.48 -1.02 0.00 -2.23 0.00 0.00 178.31 175.63 3abl h ALA 34 N 1.58 0.28 -0.70 2.41 0.00 -0.51 -3.36 119.26 118.96 3abl h ALA 34 Ca 0.30 -0.74 0.14 0.00 0.00 0.00 0.00 54.91 54.61 3abl h ALA 34 Cb 0.11 0.00 -0.13 0.00 0.00 0.00 0.00 17.79 17.76 3abl h ALA 34 CO -0.09 0.82 -0.18 0.00 0.00 0.00 0.00 179.25 179.80 3abl h ALA 35 N 0.66 0.46 -0.09 0.00 0.00 -1.33 0.36 119.26 119.32 3abl h ALA 35 Ca -0.10 0.27 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 3abl h ALA 35 Cb 1.67 0.54 -0.01 0.00 0.00 0.00 0.00 17.79 19.99 3abl h ALA 35 CO 0.18 -0.42 -0.15 -1.35 0.00 0.00 0.00 179.25 177.51 3abl h PRO 36 N -0.00 0.14 -0.43 0.00 0.11 -1.74 -0.64 132.00 129.43 3abl h PRO 36 Ca 0.34 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 66.37 3abl h PRO 36 Cb 0.52 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 31.59 3abl h PRO 36 CO -0.73 0.30 0.09 0.74 -0.21 0.00 0.00 178.00 178.20 3abl h PHE 37 N 0.13 0.74 -0.01 0.65 -1.00 -1.18 -1.80 116.94 114.47 3abl h PHE 37 Ca 0.03 -0.09 -0.13 0.00 2.81 0.00 0.00 57.97 60.59 3abl h PHE 37 Cb 0.36 -0.21 -0.02 0.00 3.61 0.00 0.00 35.95 39.70 3abl h PHE 37 CO 0.00 0.70 -0.60 0.74 -1.61 0.00 0.00 178.31 177.54 3abl h PHE 38 N 0.57 0.05 -0.25 -0.55 -1.00 -0.80 0.42 116.94 115.38 3abl h PHE 38 Ca 0.13 -0.02 -0.15 0.00 2.81 0.00 0.00 57.97 60.74 3abl h PHE 38 Cb 0.34 -0.01 -0.01 0.00 3.61 0.00 0.00 35.95 39.88 3abl h PHE 38 CO 0.02 0.63 -0.47 0.82 -1.61 0.00 0.00 178.31 177.69 3abl h ILE 39 N 0.03 1.30 -0.62 -0.55 2.04 -1.06 0.13 117.51 118.77 3abl h ILE 39 Ca -0.01 -1.68 -0.09 0.00 1.00 0.00 0.00 64.86 64.09 3abl h ILE 39 Cb 1.06 1.62 -0.02 0.00 -0.74 0.00 0.00 36.82 38.74 3abl h ILE 39 CO 0.08 0.53 0.05 0.58 0.00 0.00 0.00 178.15 179.39 3abl h VAL 40 N 0.52 1.26 0.19 1.67 2.07 -1.15 0.55 116.25 121.35 3abl h VAL 40 Ca 0.03 -1.08 0.00 0.00 0.82 0.00 0.00 66.70 66.47 3abl h VAL 40 Cb 1.02 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 31.50 3abl h VAL 40 CO 0.10 0.40 -0.19 -0.09 0.02 0.00 0.00 177.57 177.81 3abl h ARG 41 N 0.98 -0.39 -0.77 1.57 2.43 -0.41 -0.37 114.38 117.42 3abl h ARG 41 Ca 0.18 0.03 0.17 0.00 -0.81 0.00 0.00 59.98 59.55 3abl h ARG 41 Cb 0.49 0.09 -0.11 0.00 -0.42 0.00 0.00 29.97 30.02 3abl h ARG 41 CO 0.02 -0.26 0.22 1.25 -1.51 0.00 0.00 179.97 179.69 3abl h HIS 42 N -0.40 0.35 -0.17 2.20 2.76 -0.38 0.42 115.15 119.93 3abl h HIS 42 Ca 0.00 0.04 -0.03 0.00 -2.20 0.00 0.00 60.37 58.19 3abl h HIS 42 Cb 0.38 -0.03 -0.01 0.00 1.55 0.00 0.00 27.41 29.30 3abl h HIS 42 CO -0.15 -0.07 0.00 1.96 -1.30 0.00 0.00 177.93 178.37 3abl h GLN 43 N 0.30 0.29 0.00 5.26 1.08 -0.43 -2.82 115.11 118.79 3abl h GLN 43 Ca 0.44 -0.09 -0.03 0.00 -1.45 0.00 0.00 58.65 57.51 3abl h GLN 43 Cb 0.76 -0.03 -0.00 0.00 -0.05 0.00 0.00 27.48 28.16 3abl h GLN 43 CO -0.51 0.51 -0.17 -0.07 -0.95 0.00 0.00 178.83 177.64 3abl h LEU 44 N 0.04 0.00 0.00 1.46 3.38 -0.47 -2.86 115.31 116.86 3abl h LEU 44 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3abl h LEU 44 Cb 0.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.13 3abl h LEU 44 CO 0.01 0.17 0.00 0.18 0.09 0.00 0.00 178.44 178.89 3abl n LEU 45 N -4.25 0.00 -0.04 1.67 4.77 0.08 -4.26 117.00 114.98 3abl n LEU 45 Ca -0.02 0.21 -0.03 0.00 -0.03 0.00 0.00 56.01 56.13 3abl n LEU 45 Cb 0.24 -0.21 -0.01 0.00 -2.33 0.00 0.00 43.42 41.11 3abl n LEU 45 CO 0.35 -0.06 -0.24 0.29 -1.33 0.00 0.00 177.39 176.40 3abl n LYS 46 N -1.21 0.22 0.00 3.23 5.02 -1.08 -5.07 118.16 119.28 3abl n LYS 46 Ca 0.12 0.21 0.00 0.00 -2.02 0.00 0.00 58.31 56.62 3abl n LYS 46 Cb 0.15 -1.02 0.00 0.00 -0.02 0.00 0.00 35.03 34.13 3abl n LYS 46 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05