#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 3.21 0.48 1.57 2.02 -1.26 -5.04 117.35 118.33 3abl s TYR 3 Ca 0.00 -0.09 -0.23 0.00 -0.37 0.00 0.00 57.07 56.38 3abl s TYR 3 Cb 0.00 -1.50 -0.07 0.00 -0.40 0.00 0.00 41.96 39.99 3abl s TYR 3 CO 0.00 0.46 1.22 -1.21 -1.57 0.00 0.00 175.55 174.45 3abl s GLU 4 N -3.91 3.61 0.21 -0.62 0.41 -1.26 -5.06 118.70 112.08 3abl s GLU 4 Ca 0.34 1.91 0.09 0.00 -0.41 0.00 0.00 54.97 56.90 3abl s GLU 4 Cb -0.08 -2.39 -0.05 0.00 -1.78 0.00 0.00 34.13 29.84 3abl s GLU 4 CO 0.27 -0.71 -0.17 -1.21 -0.49 0.00 0.00 175.26 172.95 3abl s GLU 5 N -2.72 1.39 0.00 1.61 2.02 -1.26 -4.61 118.70 115.12 3abl s GLU 5 Ca 0.65 -1.57 0.00 0.00 0.02 0.00 0.00 54.97 54.07 3abl s GLU 5 Cb -0.32 -1.34 0.00 0.00 0.10 0.00 0.00 34.13 32.57 3abl s GLU 5 CO 0.39 0.25 0.00 0.41 0.02 0.00 0.00 175.26 176.32 3abl n GLY 6 N -0.20 1.22 3.69 -1.39 0.00 -1.26 -4.79 105.19 102.47 3abl n GLY 6 Ca -0.09 -2.13 -0.44 0.00 0.00 0.00 0.00 46.02 43.36 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 0.20 2.15 -0.35 1.61 -0.02 -1.26 -1.62 135.00 135.72 3abl n PRO 7 Ca 0.00 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.24 3abl n PRO 7 Cb 0.00 -2.43 0.00 0.00 -0.02 0.00 0.00 33.50 31.05 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 1.96 1.63 0.00 -1.23 0.00 -1.26 -4.82 105.19 101.47 3abl n GLY 8 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 3.39 -0.99 1.61 4.76 -0.64 -4.57 118.16 119.72 3abl n LYS 9 Ca 0.00 0.00 -0.21 0.00 -2.87 0.00 0.00 58.31 55.23 3abl n LYS 9 Cb 0.00 -0.63 0.07 0.00 -1.84 0.00 0.00 35.03 32.63 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 -0.95 6.15 -3.91 4.39 6.94 -1.22 -4.69 115.26 121.97 3abl n ASN 10 Ca 0.00 -3.26 -0.10 0.00 -0.02 0.00 0.00 54.58 51.20 3abl n ASN 10 Cb 0.00 -0.96 -0.10 0.00 -2.36 0.00 0.00 39.78 36.36 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 -2.96 0.10 -1.35 1.53 -4.36 -1.26 -5.06 121.20 107.84 3abl s ILE 11 Ca 0.42 -0.85 0.28 0.00 -0.26 0.00 0.00 60.65 60.24 3abl s ILE 11 Cb 0.33 -0.50 0.45 0.00 1.25 0.00 0.00 42.46 43.99 3abl s ILE 11 CO 0.01 -0.47 1.97 -0.81 0.24 0.00 0.00 174.94 175.88 3abl n PRO 12 N 1.32 0.33 -4.36 0.37 -0.04 -1.26 -4.81 135.00 126.55 3abl n PRO 12 Ca -0.22 0.02 -0.25 0.00 -0.04 0.00 0.00 63.50 63.01 3abl n PRO 12 Cb 0.56 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.43 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 -2.65 2.53 0.16 0.54 -0.12 -1.26 -5.12 117.98 112.06 3abl s PHE 13 Ca 0.24 -0.27 -0.18 0.00 -0.05 0.00 0.00 56.93 56.68 3abl s PHE 13 Cb 0.19 -1.16 -0.07 0.00 -0.63 0.00 0.00 43.02 41.35 3abl s PHE 13 CO 0.45 0.61 0.63 0.45 -0.05 0.00 0.00 175.22 177.31 3abl s SER 14 N -3.31 6.99 -0.16 1.98 0.15 -1.26 -4.94 113.70 113.15 3abl s SER 14 Ca 0.28 1.27 0.14 0.00 0.70 0.00 0.00 55.95 58.34 3abl s SER 14 Cb -0.07 -2.36 0.37 0.00 -1.71 0.00 0.00 66.02 62.25 3abl s SER 14 CO 0.16 0.12 1.19 1.33 1.20 0.00 0.00 173.24 177.24 3abl n VAL 15 N 0.99 1.80 -0.08 4.45 0.24 -1.26 -4.60 118.33 119.88 3abl n VAL 15 Ca -0.05 -2.64 -0.11 0.00 -2.04 0.00 0.00 64.34 59.50 3abl n VAL 15 Cb 0.51 -0.07 0.03 0.00 -1.47 0.00 0.00 33.84 32.83 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 0.72 0.81 -4.96 7.34 4.57 -1.93 -3.41 114.58 117.73 3abl h GLU 16 Ca -0.02 -0.42 -0.65 0.00 -1.18 0.00 0.00 59.36 57.09 3abl h GLU 16 Cb 1.11 0.01 -0.35 0.00 -0.16 0.00 0.00 28.75 29.36 3abl h GLU 16 CO 0.01 1.05 -0.85 1.21 -1.18 0.00 0.00 179.01 179.25 3abl s ASN 17 N -6.84 3.01 0.41 1.04 3.84 -1.26 -5.03 114.94 110.10 3abl s ASN 17 Ca -0.10 -0.60 0.14 0.00 0.21 0.00 0.00 52.86 52.51 3abl s ASN 17 Cb 0.12 -1.40 0.86 0.00 -0.55 0.00 0.00 41.25 40.28 3abl s ASN 17 CO 0.86 -0.01 1.90 0.07 -2.79 0.00 0.00 177.10 177.13 3abl h LYS 18 N 7.94 0.00 0.02 0.43 2.10 -1.96 0.36 116.57 125.46 3abl h LYS 18 Ca -0.43 0.00 -0.14 0.00 -2.00 0.00 0.00 60.65 58.07 3abl h LYS 18 Cb 1.14 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.48 3abl h LYS 18 CO 0.61 0.28 -0.57 -1.49 -2.00 0.00 0.00 179.45 176.28 3abl h TRP 19 N 0.00 0.53 -0.88 0.07 4.06 -1.98 0.05 115.95 117.80 3abl h TRP 19 Ca -0.00 -0.30 0.02 0.00 2.06 0.00 0.00 58.89 60.66 3abl h TRP 19 Cb 0.50 -0.05 -0.05 0.00 -1.00 0.00 0.00 29.16 28.56 3abl h TRP 19 CO 0.00 1.14 0.58 -0.09 -3.56 0.00 0.00 178.44 176.51 3abl h ARG 20 N -0.23 1.13 -0.34 0.49 2.43 -1.93 -1.56 114.38 114.36 3abl h ARG 20 Ca -0.08 -0.07 0.05 0.00 -0.81 0.00 0.00 59.98 59.07 3abl h ARG 20 Cb 1.32 -0.25 -0.05 0.00 -0.42 0.00 0.00 29.97 30.56 3abl h ARG 20 CO 0.11 0.75 0.07 1.25 -1.51 0.00 0.00 179.97 180.64 3abl h LEU 21 N 1.16 0.01 -0.36 3.80 5.85 -0.91 -0.20 115.31 124.67 3abl h LEU 21 Ca 0.33 0.06 0.07 0.00 0.84 0.00 0.00 57.88 59.17 3abl h LEU 21 Cb -0.10 0.07 -0.06 0.00 0.37 0.00 0.00 40.66 40.95 3abl h LEU 21 CO -0.08 0.04 -0.01 0.25 -0.34 0.00 0.00 178.44 178.30 3abl h LEU 22 N 0.19 -0.16 -0.78 2.25 5.85 -0.82 0.12 115.31 121.95 3abl h LEU 22 Ca 0.16 0.08 0.10 0.00 0.84 0.00 0.00 57.88 59.07 3abl h LEU 22 Cb 0.18 0.15 -0.07 0.00 0.37 0.00 0.00 40.66 41.29 3abl h LEU 22 CO -0.21 -0.05 0.42 0.00 -0.34 0.00 0.00 178.44 178.26 3abl h ALA 23 N 1.32 1.11 -0.09 1.25 0.00 -0.97 -1.27 119.26 120.61 3abl h ALA 23 Ca 0.17 0.05 -0.11 0.00 0.00 0.00 0.00 54.91 55.03 3abl h ALA 23 Cb 0.24 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3abl h ALA 23 CO -0.30 0.02 -0.36 0.52 0.00 0.00 0.00 179.25 179.13 3abl h MET 24 N 0.69 0.40 -0.79 0.00 2.86 0.73 -2.03 114.93 116.78 3abl h MET 24 Ca 0.39 -0.31 -0.00 0.00 -2.06 0.00 0.00 59.70 57.71 3abl h MET 24 Cb 0.40 0.06 -0.04 0.00 0.06 0.00 0.00 31.60 32.08 3abl h MET 24 CO -0.27 0.94 0.48 0.52 1.06 0.00 0.00 176.91 179.64 3abl h MET 25 N -0.06 1.07 -0.16 1.72 2.07 -0.78 -1.34 114.93 117.44 3abl h MET 25 Ca -0.02 -0.09 0.02 0.00 -2.07 0.00 0.00 59.70 57.54 3abl h MET 25 Cb 1.00 -0.23 -0.02 0.00 -1.87 0.00 0.00 31.60 30.48 3abl h MET 25 CO 0.07 0.75 0.02 1.15 1.07 0.00 0.00 176.91 179.97 3abl h THR 26 N 1.09 0.92 -0.71 2.22 2.02 -1.23 -1.33 112.91 115.88 3abl h THR 26 Ca 0.28 -0.03 -0.04 0.00 0.77 0.00 0.00 66.41 67.40 3abl h THR 26 Cb -0.05 0.83 -0.03 0.00 -1.74 0.00 0.00 68.15 67.16 3abl h THR 26 CO -0.05 0.02 0.29 -0.07 0.37 0.00 0.00 175.52 176.07 3abl h LEU 27 N 0.08 0.96 0.23 2.58 3.38 -1.10 -0.39 115.31 121.06 3abl h LEU 27 Ca 0.07 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 3abl h LEU 27 Cb 0.07 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.57 3abl h LEU 27 CO -0.10 0.86 -0.11 0.15 0.09 0.00 0.00 178.44 179.32 3abl h PHE 28 N 1.03 -0.29 -0.09 1.13 3.57 -1.07 -0.23 116.94 120.99 3abl h PHE 28 Ca 0.24 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.73 3abl h PHE 28 Cb 0.19 0.10 -0.00 0.00 2.79 0.00 0.00 35.95 39.02 3abl h PHE 28 CO 0.02 -0.15 0.04 0.74 -2.23 0.00 0.00 178.31 176.72 3abl h PHE 29 N -1.08 0.13 -0.91 0.41 -1.00 -1.38 -2.99 116.94 110.12 3abl h PHE 29 Ca -0.03 -0.01 0.10 0.00 2.81 0.00 0.00 57.97 60.84 3abl h PHE 29 Cb 0.26 -0.04 -0.07 0.00 3.61 0.00 0.00 35.95 39.72 3abl h PHE 29 CO 0.01 0.23 0.58 0.78 -1.61 0.00 0.00 178.31 178.30 3abl h GLY 30 N -0.01 1.33 1.17 -1.45 0.00 -1.19 -1.05 103.07 101.88 3abl h GLY 30 Ca 0.03 -0.37 -0.10 0.00 0.00 0.00 0.00 47.33 46.89 3abl h GLY 30 CO -0.00 0.20 -0.03 1.48 0.00 0.00 0.00 176.54 178.19 3abl h SER 31 N 0.90 0.96 0.27 0.19 4.64 -0.99 -0.68 113.55 118.84 3abl h SER 31 Ca 0.43 -0.28 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 3abl h SER 31 Cb 0.43 -0.26 -0.03 0.00 -0.31 0.00 0.00 62.40 62.23 3abl h SER 31 CO -0.19 1.04 -0.34 1.23 -0.87 0.00 0.00 176.83 177.70 3abl h GLY 32 N 0.99 -0.75 0.98 -0.77 0.00 -1.29 -1.52 103.07 100.70 3abl h GLY 32 Ca 0.16 0.40 0.07 0.00 0.00 0.00 0.00 47.33 47.96 3abl h GLY 32 CO 0.03 -0.28 0.49 -2.75 0.00 0.00 0.00 176.54 174.03 3abl h PHE 33 N -0.67 0.76 0.01 5.60 3.57 -1.12 -3.12 116.94 121.98 3abl h PHE 33 Ca -0.01 0.02 -0.25 0.00 3.53 0.00 0.00 57.97 61.26 3abl h PHE 33 Cb 0.63 -0.25 -0.04 0.00 2.79 0.00 0.00 35.95 39.08 3abl h PHE 33 CO -0.23 0.39 -1.33 0.00 -2.23 0.00 0.00 178.31 174.90 3abl h ALA 34 N 1.61 0.52 -0.34 2.41 0.00 -0.91 -3.38 119.26 119.17 3abl h ALA 34 Ca 0.33 -1.15 0.07 0.00 0.00 0.00 0.00 54.91 54.16 3abl h ALA 34 Cb 0.32 0.14 -0.08 0.00 0.00 0.00 0.00 17.79 18.17 3abl h ALA 34 CO -0.11 1.38 -0.27 0.00 0.00 0.00 0.00 179.25 180.24 3abl h ALA 35 N 0.96 -0.11 -0.95 0.00 0.00 -1.21 -2.14 119.26 115.80 3abl h ALA 35 Ca -0.14 0.10 0.08 0.00 0.00 0.00 0.00 54.91 54.95 3abl h ALA 35 Cb 1.89 0.59 -0.07 0.00 0.00 0.00 0.00 17.79 20.20 3abl h ALA 35 CO 0.11 -0.68 0.61 -1.35 0.00 0.00 0.00 179.25 177.95 3abl h PRO 36 N -0.23 1.01 -0.73 0.00 0.11 -1.77 -0.73 132.00 129.66 3abl h PRO 36 Ca 0.16 -0.06 0.14 0.00 0.11 0.00 0.00 66.00 66.35 3abl h PRO 36 Cb 0.50 -0.23 -0.10 0.00 0.11 0.00 0.00 31.00 31.28 3abl h PRO 36 CO -0.47 0.67 0.27 0.74 -0.21 0.00 0.00 178.00 179.00 3abl h PHE 37 N 1.04 0.45 0.00 0.65 -1.00 -1.63 -0.31 116.94 116.14 3abl h PHE 37 Ca 0.43 0.04 -0.14 0.00 2.81 0.00 0.00 57.97 61.11 3abl h PHE 37 Cb 0.28 -0.09 -0.02 0.00 3.61 0.00 0.00 35.95 39.73 3abl h PHE 37 CO -0.00 0.04 -0.65 0.74 -1.61 0.00 0.00 178.31 176.82 3abl h PHE 38 N 0.40 0.00 -0.10 -0.55 -1.00 -0.90 -1.17 116.94 113.63 3abl h PHE 38 Ca 0.40 0.00 -0.10 0.00 2.81 0.00 0.00 57.97 61.08 3abl h PHE 38 Cb 0.62 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.18 3abl h PHE 38 CO -0.18 0.65 -0.33 0.82 -1.61 0.00 0.00 178.31 177.66 3abl h ILE 39 N 0.00 1.40 -0.55 -0.55 2.04 -0.91 -0.77 117.51 118.17 3abl h ILE 39 Ca -0.01 -1.68 0.11 0.00 1.00 0.00 0.00 64.86 64.29 3abl h ILE 39 Cb 1.34 2.21 -0.11 0.00 -0.74 0.00 0.00 36.82 39.52 3abl h ILE 39 CO 0.08 0.49 -0.17 0.58 0.00 0.00 0.00 178.15 179.14 3abl h VAL 40 N -0.05 0.40 -0.03 1.67 2.07 -1.02 -1.08 116.25 118.20 3abl h VAL 40 Ca -0.01 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.54 3abl h VAL 40 Cb 0.96 0.40 -0.04 0.00 -1.52 0.00 0.00 31.29 31.09 3abl h VAL 40 CO 0.07 0.00 -0.20 -0.09 0.02 0.00 0.00 177.57 177.37 3abl h ARG 41 N -0.03 -0.29 -0.74 1.57 2.43 -1.14 -0.57 114.38 115.60 3abl h ARG 41 Ca 0.26 0.02 0.12 0.00 -0.81 0.00 0.00 59.98 59.58 3abl h ARG 41 Cb 0.44 0.07 -0.13 0.00 -0.42 0.00 0.00 29.97 29.92 3abl h ARG 41 CO -0.59 -0.20 -0.34 1.25 -1.51 0.00 0.00 179.97 178.58 3abl h HIS 42 N -0.31 -0.95 -0.16 2.20 2.76 -0.87 0.11 115.15 117.94 3abl h HIS 42 Ca 0.07 0.08 -0.02 0.00 -2.20 0.00 0.00 60.37 58.30 3abl h HIS 42 Cb 0.40 0.52 -0.01 0.00 1.55 0.00 0.00 27.41 29.88 3abl h HIS 42 CO -0.26 -0.39 0.01 1.96 -1.30 0.00 0.00 177.93 177.95 3abl h GLN 43 N -0.10 0.28 -0.43 5.26 1.08 -0.88 -2.81 115.11 117.52 3abl h GLN 43 Ca 0.28 -0.08 0.06 0.00 -1.45 0.00 0.00 58.65 57.45 3abl h GLN 43 Cb 0.57 -0.03 -0.05 0.00 -0.05 0.00 0.00 27.48 27.92 3abl h GLN 43 CO -0.79 0.49 0.14 -0.07 -0.95 0.00 0.00 178.83 177.64 3abl h LEU 44 N 0.03 0.12 0.00 1.46 3.38 -0.66 -2.60 115.31 117.04 3abl h LEU 44 Ca 0.05 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3abl h LEU 44 Cb 0.36 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.16 3abl h LEU 44 CO 0.01 0.10 0.00 0.18 0.09 0.00 0.00 178.44 178.82 3abl n LEU 45 N -5.03 0.00 0.00 1.67 4.77 0.36 -3.90 117.00 114.86 3abl n LEU 45 Ca 0.03 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 3abl n LEU 45 Cb 0.17 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 3abl n LEU 45 CO 0.25 0.00 0.00 1.17 -1.33 0.00 0.00 177.39 177.48 3abl n LYS 46 N -0.69 0.00 0.00 3.23 4.81 -0.98 -5.04 118.16 119.49 3abl n LYS 46 Ca 0.06 0.02 0.00 0.00 -0.87 0.00 0.00 58.31 57.52 3abl n LYS 46 Cb 0.03 -0.24 0.00 0.00 0.02 0.00 0.00 35.03 34.84 3abl n LYS 46 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74