#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3abl s THR 2 N 0.00 3.60 0.20 9.51 -4.23 -1.26 -5.15 115.64 118.31 3abl s THR 2 Ca 0.00 -1.58 -0.17 0.00 -1.18 0.00 0.00 61.69 58.76 3abl s THR 2 Cb 0.00 -3.11 0.02 0.00 1.34 0.00 0.00 72.50 70.75 3abl s THR 2 CO 0.00 -0.26 0.53 0.00 -0.54 0.00 0.00 174.62 174.35 3abl s ALA 3 N -2.30 -0.90 0.63 3.99 0.00 -1.26 -5.17 121.76 116.75 3abl s ALA 3 Ca 0.36 -0.28 -0.09 0.00 0.00 0.00 0.00 51.96 51.95 3abl s ALA 3 Cb -0.05 0.87 -0.01 0.00 0.00 0.00 0.00 23.12 23.93 3abl s ALA 3 CO 0.24 -0.82 1.00 -1.59 0.00 0.00 0.00 175.76 174.58 3abl s LYS 4 N -3.89 3.18 0.82 0.00 -2.85 -1.26 -5.03 119.74 110.71 3abl s LYS 4 Ca 0.10 0.42 -0.12 0.00 -1.00 0.00 0.00 55.97 55.37 3abl s LYS 4 Cb -0.01 -2.14 0.09 0.00 -2.06 0.00 0.00 37.83 33.71 3abl s LYS 4 CO -0.01 -0.72 1.17 -2.14 0.10 0.00 0.00 175.35 173.74 3abl s PRO 5 N -5.15 1.65 0.20 1.78 0.02 -1.26 -4.86 135.00 127.38 3abl s PRO 5 Ca 0.55 1.61 -0.32 0.00 0.02 0.00 0.00 61.00 62.85 3abl s PRO 5 Cb -0.11 -1.79 -0.13 0.00 0.02 0.00 0.00 34.50 32.49 3abl s PRO 5 CO 0.50 -2.18 1.55 0.00 -0.33 0.00 0.00 177.00 176.55 3abl n ALA 6 N -3.48 1.63 -0.10 -1.55 0.00 -1.26 -4.93 120.51 110.82 3abl n ALA 6 Ca 0.12 0.42 -0.02 0.00 0.00 0.00 0.00 53.44 53.97 3abl n ALA 6 Cb 0.51 -2.37 0.23 0.00 0.00 0.00 0.00 19.45 17.82 3abl n ALA 6 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3abl h LYS 7 N 5.44 0.75 -2.47 0.00 1.57 -2.05 -3.35 116.57 116.46 3abl h LYS 7 Ca -0.45 -0.15 -0.59 0.00 -1.87 0.00 0.00 60.65 57.59 3abl h LYS 7 Cb 1.25 -0.12 -0.40 0.00 0.08 0.00 0.00 32.23 33.04 3abl h LYS 7 CO 0.85 0.68 -0.84 0.25 -0.57 0.00 0.00 179.45 179.82 3abl n THR 8 N -4.29 0.14 -1.45 -0.16 -2.24 -1.26 -5.12 114.28 99.89 3abl n THR 8 Ca 0.03 -4.17 -0.43 0.00 -2.27 0.00 0.00 64.05 57.22 3abl n THR 8 Cb 0.22 -1.92 -0.00 0.00 -2.10 0.00 0.00 70.33 66.53 3abl n THR 8 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 3abl n PRO 9 N 2.06 0.57 -3.88 -0.78 -0.02 -1.26 -4.95 135.00 126.75 3abl n PRO 9 Ca 0.26 0.20 -0.36 0.00 -2.02 0.00 0.00 63.50 61.58 3abl n PRO 9 Cb 0.44 -1.45 -0.13 0.00 -0.02 0.00 0.00 33.50 32.34 3abl n PRO 9 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3abl s THR 10 N -1.37 3.17 0.86 3.45 2.01 -1.26 -5.10 115.64 117.40 3abl s THR 10 Ca 0.62 -1.30 -0.12 0.00 0.31 0.00 0.00 61.69 61.20 3abl s THR 10 Cb -0.66 -2.80 0.11 0.00 0.01 0.00 0.00 72.50 69.16 3abl s THR 10 CO 0.58 -0.10 1.14 -0.94 -0.69 0.00 0.00 174.62 174.61 3abl s SER 11 N 1.29 3.95 0.31 3.53 1.04 -1.26 -4.65 113.70 117.91 3abl s SER 11 Ca -0.04 0.96 0.07 0.00 0.48 0.00 0.00 55.95 57.41 3abl s SER 11 Cb -0.20 -1.54 0.85 0.00 0.10 0.00 0.00 66.02 65.23 3abl s SER 11 CO -0.00 -2.27 1.67 -0.65 0.98 0.00 0.00 173.24 172.96 3abl h PRO 12 N -1.30 0.30 -0.19 4.02 0.11 -1.98 0.19 132.00 133.14 3abl h PRO 12 Ca -0.49 -0.02 -0.14 0.00 0.11 0.00 0.00 66.00 65.46 3abl h PRO 12 Cb 1.32 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.37 3abl h PRO 12 CO 0.63 0.20 -0.43 -0.22 -0.21 0.00 0.00 178.00 177.96 3abl h LYS 13 N 0.30 0.62 -0.31 1.05 3.11 -1.99 -0.14 116.57 119.21 3abl h LYS 13 Ca 0.62 -0.42 -0.05 0.00 -2.81 0.00 0.00 60.65 57.99 3abl h LYS 13 Cb 1.29 0.06 -0.02 0.00 -1.00 0.00 0.00 32.23 32.56 3abl h LYS 13 CO -0.61 1.04 -0.01 0.93 -2.81 0.00 0.00 179.45 177.99 3abl h GLU 14 N 0.30 0.48 -0.51 1.90 5.08 -1.56 -2.09 114.58 118.18 3abl h GLU 14 Ca -0.00 -0.10 -0.11 0.00 -1.00 0.00 0.00 59.36 58.15 3abl h GLU 14 Cb 1.04 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.20 3abl h GLU 14 CO 0.09 0.52 -0.12 1.96 -1.00 0.00 0.00 179.01 180.47 3abl h GLN 15 N 0.46 0.97 -0.73 2.33 4.20 -0.25 -2.10 115.11 119.99 3abl h GLN 15 Ca 0.10 -0.37 0.01 0.00 0.06 0.00 0.00 58.65 58.45 3abl h GLN 15 Cb 0.32 -0.06 -0.04 0.00 0.30 0.00 0.00 27.48 28.01 3abl h GLN 15 CO 0.01 1.04 0.48 0.00 -0.67 0.00 0.00 178.83 179.69 3abl h ALA 16 N 0.90 1.46 -0.03 3.87 0.00 -0.73 0.44 119.26 125.18 3abl h ALA 16 Ca 0.13 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3abl h ALA 16 Cb 0.68 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 3abl h ALA 16 CO 0.05 0.49 -0.02 0.82 0.00 0.00 0.00 179.25 180.60 3abl h ILE 17 N 1.00 1.33 -0.38 0.00 2.04 -1.17 -1.44 117.51 118.89 3abl h ILE 17 Ca 0.27 -1.02 0.07 0.00 1.00 0.00 0.00 64.86 65.17 3abl h ILE 17 Cb -0.10 1.96 -0.06 0.00 -0.74 0.00 0.00 36.82 37.88 3abl h ILE 17 CO -0.06 0.27 0.02 1.23 0.00 0.00 0.00 178.15 179.62 3abl h GLY 18 N -0.34 0.40 0.88 5.37 0.00 -1.04 0.87 103.07 109.21 3abl h GLY 18 Ca 0.01 0.03 -0.01 0.00 0.00 0.00 0.00 47.33 47.36 3abl h GLY 18 CO 0.00 -0.08 0.04 -2.00 0.00 0.00 0.00 176.54 174.51 3abl h LEU 19 N 0.13 0.14 -0.34 3.11 5.85 -0.96 -0.12 115.31 123.11 3abl h LEU 19 Ca 0.19 -0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 3abl h LEU 19 Cb 0.25 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 3abl h LEU 19 CO -0.29 0.25 0.17 0.28 -0.34 0.00 0.00 178.44 178.51 3abl h SER 20 N 0.02 0.43 -0.46 1.25 0.02 -0.98 0.10 113.55 113.93 3abl h SER 20 Ca 0.03 -0.11 -0.11 0.00 -0.84 0.00 0.00 61.79 60.76 3abl h SER 20 Cb 0.15 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.56 3abl h SER 20 CO -0.00 0.42 -0.14 0.58 -1.14 0.00 0.00 176.83 176.54 3abl h VAL 21 N 0.42 1.27 -0.03 2.27 2.07 -0.81 -1.73 116.25 119.71 3abl h VAL 21 Ca 0.12 -1.28 -0.00 0.00 0.82 0.00 0.00 66.70 66.35 3abl h VAL 21 Cb 0.09 1.04 -0.00 0.00 -1.52 0.00 0.00 31.29 30.90 3abl h VAL 21 CO -0.02 0.45 0.02 0.74 0.02 0.00 0.00 177.57 178.77 3abl h THR 22 N 0.84 1.04 -0.45 2.57 2.02 -0.54 -1.41 112.91 116.99 3abl h THR 22 Ca 0.13 -0.12 -0.01 0.00 0.77 0.00 0.00 66.41 67.18 3abl h THR 22 Cb 0.69 1.07 -0.02 0.00 -1.74 0.00 0.00 68.15 68.15 3abl h THR 22 CO 0.05 0.03 0.25 -0.26 0.37 0.00 0.00 175.52 175.97 3abl h PHE 23 N -0.01 0.60 0.00 3.16 0.05 -0.73 -2.04 116.94 117.97 3abl h PHE 23 Ca 0.01 -0.01 -0.04 0.00 3.82 0.00 0.00 57.97 61.75 3abl h PHE 23 Cb 0.04 -0.19 -0.01 0.00 2.00 0.00 0.00 35.95 37.79 3abl h PHE 23 CO -0.06 0.45 -0.18 -0.07 -0.18 0.00 0.00 178.31 178.27 3abl h LEU 24 N 0.59 0.00 -1.06 1.54 3.38 -1.20 0.14 115.31 118.69 3abl h LEU 24 Ca 0.16 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.03 3abl h LEU 24 Cb 0.03 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 3abl h LEU 24 CO -0.03 0.18 -0.47 0.77 0.09 0.00 0.00 178.44 178.98 3abl h SER 25 N 0.00 0.00 0.27 -0.43 4.64 -0.50 -2.22 113.55 115.31 3abl h SER 25 Ca -0.00 -0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 60.98 3abl h SER 25 Cb 0.33 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 3abl h SER 25 CO 0.02 0.47 -1.69 -0.26 -0.87 0.00 0.00 176.83 174.50 3abl h PHE 26 N 0.00 0.65 -0.05 4.77 -1.00 -1.38 -3.42 116.94 116.51 3abl h PHE 26 Ca -0.00 -0.47 -0.06 0.00 2.81 0.00 0.00 57.97 60.25 3abl h PHE 26 Cb 0.83 -0.03 0.00 0.00 3.61 0.00 0.00 35.95 40.36 3abl h PHE 26 CO 0.00 1.59 -0.19 -0.07 -1.61 0.00 0.00 178.31 178.04 3abl h LEU 27 N 0.10 0.26 -0.03 1.54 3.38 -0.85 -3.35 115.31 116.35 3abl h LEU 27 Ca -0.32 -0.62 -0.00 0.00 0.09 0.00 0.00 57.88 57.03 3abl h LEU 27 Cb 2.08 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 42.75 3abl h LEU 27 CO 0.17 0.84 0.01 -0.07 0.09 0.00 0.00 178.44 179.48 3abl h LEU 28 N -0.31 0.04 -0.29 1.67 3.38 -1.66 0.34 115.31 118.49 3abl h LEU 28 Ca -0.01 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.77 3abl h LEU 28 Cb 0.82 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.54 3abl h LEU 28 CO 0.04 0.21 0.14 -0.65 0.09 0.00 0.00 178.44 178.27 3abl h PRO 29 N -0.12 0.42 -0.41 1.13 0.11 -1.80 0.32 132.00 131.64 3abl h PRO 29 Ca 0.01 -0.06 -0.05 0.00 0.11 0.00 0.00 66.00 66.01 3abl h PRO 29 Cb 0.18 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 31.20 3abl h PRO 29 CO -0.00 0.40 0.08 0.00 -0.21 0.00 0.00 178.00 178.27 3abl h ALA 30 N 1.00 0.54 -0.80 -0.75 0.00 -1.69 -1.37 119.26 116.19 3abl h ALA 30 Ca 0.10 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3abl h ALA 30 Cb 0.12 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 3abl h ALA 30 CO -0.01 0.24 0.52 0.78 0.00 0.00 0.00 179.25 180.78 3abl h GLY 31 N 0.53 1.14 0.82 0.00 0.00 -0.20 -0.94 103.07 104.42 3abl h GLY 31 Ca 0.13 -0.44 0.02 0.00 0.00 0.00 0.00 47.33 47.04 3abl h GLY 31 CO 0.01 0.43 0.06 -0.25 0.00 0.00 0.00 176.54 176.78 3abl h TRP 32 N 1.09 0.10 0.04 5.60 7.01 -0.50 -0.73 115.95 128.56 3abl h TRP 32 Ca 0.29 0.01 -0.00 0.00 2.11 0.00 0.00 58.89 61.30 3abl h TRP 32 Cb -0.10 -0.02 0.00 0.00 -2.10 0.00 0.00 29.16 26.94 3abl h TRP 32 CO -0.01 0.05 -0.02 0.28 -2.79 0.00 0.00 178.44 175.94 3abl h VAL 33 N 0.15 1.07 -0.78 2.65 2.07 -1.05 -2.77 116.25 117.58 3abl h VAL 33 Ca 0.09 -0.36 0.02 0.00 0.82 0.00 0.00 66.70 67.27 3abl h VAL 33 Cb 0.07 1.31 -0.04 0.00 -1.52 0.00 0.00 31.29 31.10 3abl h VAL 33 CO -0.10 0.09 0.50 -0.07 0.02 0.00 0.00 177.57 178.02 3abl h LEU 34 N -0.21 0.85 -1.43 2.57 4.07 -1.17 -1.50 115.31 118.48 3abl h LEU 34 Ca -0.01 -0.01 -0.06 0.00 0.08 0.00 0.00 57.88 57.88 3abl h LEU 34 Cb 0.19 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 41.72 3abl h LEU 34 CO 0.01 0.60 -0.29 0.22 -1.08 0.00 0.00 178.44 177.90 3abl h TYR 35 N 1.00 0.00 -0.67 1.13 3.20 -1.13 -2.75 116.97 117.75 3abl h TYR 35 Ca 0.30 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.17 3abl h TYR 35 Cb -0.04 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.23 3abl h TYR 35 CO -0.03 0.29 0.00 0.72 -1.64 0.00 0.00 178.16 177.50 3abl n HIS 36 N -4.14 1.13 -0.20 -3.82 8.25 -0.63 -4.52 115.22 111.29 3abl n HIS 36 Ca -0.02 -0.51 0.08 0.00 -0.26 0.00 0.00 57.72 57.01 3abl n HIS 36 Cb 0.34 -0.09 0.37 0.00 1.12 0.00 0.00 29.99 31.73 3abl n HIS 36 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 3abl h LEU 37 N 4.04 0.64 -0.34 2.41 3.38 -1.06 -1.90 115.31 122.48 3abl h LEU 37 Ca 0.00 0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 3abl h LEU 37 Cb 1.12 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.73 3abl h LEU 37 CO 0.09 0.39 -0.02 -0.78 0.09 0.00 0.00 178.44 178.21 3abl h ASP 38 N 0.71 0.60 -0.64 -0.43 3.58 -1.83 -0.14 116.42 118.28 3abl h ASP 38 Ca 0.34 -0.32 0.15 0.00 0.42 0.00 0.00 57.03 57.62 3abl h ASP 38 Cb 0.39 -0.16 -0.03 0.00 1.72 0.00 0.00 39.33 41.24 3abl h ASP 38 CO -0.12 0.78 0.44 0.78 -2.88 0.00 0.00 179.24 178.24 3abl h ASN 39 N 0.41 0.20 0.05 2.28 4.21 -1.70 -1.30 115.58 119.74 3abl h ASN 39 Ca 0.09 0.01 -0.14 0.00 1.21 0.00 0.00 56.30 57.48 3abl h ASN 39 Cb 0.48 -0.03 0.01 0.00 -1.12 0.00 0.00 38.32 37.67 3abl h ASN 39 CO 0.02 0.11 -0.56 1.88 -1.29 0.00 0.00 177.43 177.58 3abl h TYR 40 N 0.21 0.47 -0.80 1.19 0.99 -0.84 -3.36 116.97 114.84 3abl h TYR 40 Ca 0.31 -0.29 -0.03 0.00 2.00 0.00 0.00 58.73 60.71 3abl h TYR 40 Cb 0.91 -0.04 -0.04 0.00 1.00 0.00 0.00 36.73 38.56 3abl h TYR 40 CO -0.00 1.16 0.38 0.87 -0.00 0.00 0.00 178.16 180.56 3abl h LYS 41 N -0.35 1.15 -3.00 4.88 1.57 -0.20 -2.67 116.57 117.96 3abl h LYS 41 Ca -0.09 -0.17 -0.80 0.00 -1.87 0.00 0.00 60.65 57.72 3abl h LYS 41 Cb 1.35 -0.21 -0.28 0.00 0.08 0.00 0.00 32.23 33.17 3abl h LYS 41 CO 0.11 0.90 0.69 1.17 -0.57 0.00 0.00 179.45 181.75 3abl n LYS 42 N -4.34 4.28 0.00 3.15 3.00 -0.57 -5.10 118.16 118.58 3abl n LYS 42 Ca 0.07 -4.55 0.00 0.00 -0.00 0.00 0.00 58.31 53.84 3abl n LYS 42 Cb 0.14 -2.51 0.00 0.00 0.00 0.00 0.00 35.03 32.66 3abl n LYS 42 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83