#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oco n HIS 2 N 0.00 1.27 -3.19 1.43 8.25 -1.26 -4.90 115.22 116.83 1oco n HIS 2 Ca 0.00 -1.84 -0.41 0.00 -0.26 0.00 0.00 57.72 55.22 1oco n HIS 2 Cb 0.00 -1.19 -0.07 0.00 1.12 0.00 0.00 29.99 29.84 1oco n HIS 2 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 1oco s TYR 3 N -1.30 3.21 0.85 4.41 2.02 -1.26 -5.05 117.35 120.23 1oco s TYR 3 Ca 0.46 0.46 -0.13 0.00 -0.37 0.00 0.00 57.07 57.49 1oco s TYR 3 Cb 0.30 -2.91 0.07 0.00 -0.40 0.00 0.00 41.96 39.02 1oco s TYR 3 CO -0.10 -0.45 0.95 0.39 -1.57 0.00 0.00 175.55 174.78 1oco n GLU 4 N 5.76 -0.02 -4.28 -0.62 -0.58 -1.26 -5.04 120.64 114.60 1oco n GLU 4 Ca -0.03 0.06 -0.15 0.00 -0.42 0.00 0.00 57.16 56.62 1oco n GLU 4 Cb 0.49 -2.24 -0.10 0.00 -0.57 0.00 0.00 31.44 29.02 1oco n GLU 4 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 1oco s GLU 5 N -3.95 1.24 0.00 3.49 2.02 -1.26 -4.76 118.70 115.47 1oco s GLU 5 Ca 0.68 -1.62 0.00 0.00 0.02 0.00 0.00 54.97 54.05 1oco s GLU 5 Cb -0.27 -0.35 0.00 0.00 0.10 0.00 0.00 34.13 33.61 1oco s GLU 5 CO 0.56 -0.16 0.00 0.41 0.02 0.00 0.00 175.26 176.09 1oco n GLY 6 N -0.34 0.56 3.63 -1.39 0.00 -1.26 -4.72 105.19 101.67 1oco n GLY 6 Ca -0.05 -1.84 -0.62 0.00 0.00 0.00 0.00 46.02 43.51 1oco n GLY 6 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1oco n PRO 7 N 0.81 0.16 -0.97 1.61 -0.02 -1.26 -0.34 135.00 134.99 1oco n PRO 7 Ca 0.00 0.06 0.00 0.00 -2.02 0.00 0.00 63.50 61.54 1oco n PRO 7 Cb 0.00 -1.58 0.00 0.00 -0.02 0.00 0.00 33.50 31.90 1oco n PRO 7 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1oco n GLY 8 N 2.89 0.90 0.08 -1.23 0.00 -1.26 -4.83 105.19 101.73 1oco n GLY 8 Ca 0.25 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.31 1oco n GLY 8 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1oco n LYS 9 N -2.05 3.58 -1.17 1.61 5.02 0.54 -4.58 118.16 121.12 1oco n LYS 9 Ca 0.00 -0.24 -0.21 0.00 -2.02 0.00 0.00 58.31 55.84 1oco n LYS 9 Cb 0.00 -0.91 0.17 0.00 -0.02 0.00 0.00 35.03 34.27 1oco n LYS 9 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1oco n ASN 10 N -0.77 4.02 -4.17 4.39 6.94 -1.23 -4.73 115.26 119.70 1oco n ASN 10 Ca 0.02 -3.68 -0.11 0.00 -0.02 0.00 0.00 54.58 50.79 1oco n ASN 10 Cb 0.13 -0.80 -0.10 0.00 -2.36 0.00 0.00 39.78 36.65 1oco n ASN 10 CO 0.00 0.00 0.00 0.27 -1.03 0.00 0.00 177.26 176.50 1oco s ILE 11 N -3.54 0.68 -2.06 1.53 -4.36 -1.26 -5.07 121.20 107.11 1oco s ILE 11 Ca 0.55 -1.94 0.12 0.00 -0.26 0.00 0.00 60.65 59.12 1oco s ILE 11 Cb 0.47 -1.72 0.31 0.00 1.25 0.00 0.00 42.46 42.76 1oco s ILE 11 CO 0.06 -0.84 1.36 -0.81 0.24 0.00 0.00 174.94 174.95 1oco n PRO 12 N -0.06 1.39 -4.40 0.37 -0.04 -1.26 -4.84 135.00 126.17 1oco n PRO 12 Ca -0.12 -0.60 -0.19 0.00 -0.04 0.00 0.00 63.50 62.55 1oco n PRO 12 Cb 0.61 -1.23 -0.15 0.00 -0.04 0.00 0.00 33.50 32.69 1oco n PRO 12 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1oco s PHE 13 N -1.82 0.88 0.37 0.54 -0.71 -1.26 -5.13 117.98 110.84 1oco s PHE 13 Ca 0.20 -0.17 -0.27 0.00 -1.04 0.00 0.00 56.93 55.64 1oco s PHE 13 Cb 0.10 -0.58 -0.10 0.00 -1.21 0.00 0.00 43.02 41.24 1oco s PHE 13 CO 0.15 -0.03 1.35 0.45 -1.34 0.00 0.00 175.22 175.80 1oco s SER 14 N -0.15 6.47 -0.12 1.98 0.15 -1.26 -4.95 113.70 115.83 1oco s SER 14 Ca 0.03 2.77 0.14 0.00 0.70 0.00 0.00 55.95 59.58 1oco s SER 14 Cb -0.05 -2.65 0.28 0.00 -1.71 0.00 0.00 66.02 61.90 1oco s SER 14 CO -0.00 -0.75 1.14 0.55 1.20 0.00 0.00 173.24 175.38 1oco n VAL 15 N 0.44 1.48 0.03 4.45 3.14 -1.26 -4.72 118.33 121.89 1oco n VAL 15 Ca 0.02 -2.01 -0.15 0.00 -2.96 0.00 0.00 64.34 59.23 1oco n VAL 15 Cb 0.42 -0.00 -0.05 0.00 -1.06 0.00 0.00 33.84 33.15 1oco n VAL 15 CO 0.00 0.00 0.00 -0.33 -6.46 0.00 0.00 176.83 170.04 1oco h GLU 16 N 0.34 0.58 -4.85 1.45 4.39 -1.92 -3.42 114.58 111.15 1oco h GLU 16 Ca -0.02 -0.54 -0.68 0.00 0.34 0.00 0.00 59.36 58.46 1oco h GLU 16 Cb 1.15 0.13 -0.31 0.00 -0.10 0.00 0.00 28.75 29.62 1oco h GLU 16 CO 0.01 1.16 -0.71 1.21 -1.16 0.00 0.00 179.01 179.52 1oco s ASN 17 N -7.11 4.64 0.66 1.42 3.84 -1.26 -4.99 114.94 112.14 1oco s ASN 17 Ca -0.08 -0.96 0.42 0.00 0.21 0.00 0.00 52.86 52.45 1oco s ASN 17 Cb 0.09 -1.72 2.31 0.00 -0.55 0.00 0.00 41.25 41.37 1oco s ASN 17 CO 0.88 -0.18 2.32 0.07 -2.79 0.00 0.00 177.10 177.40 1oco h LYS 18 N 8.05 0.00 0.06 0.43 2.10 -1.97 -1.52 116.57 123.72 1oco h LYS 18 Ca -0.29 0.00 -0.29 0.00 -2.00 0.00 0.00 60.65 58.07 1oco h LYS 18 Cb 1.10 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 32.40 1oco h LYS 18 CO 0.57 0.00 -1.58 -1.49 -2.00 0.00 0.00 179.45 174.95 1oco h TRP 19 N 0.00 0.21 -0.21 0.07 4.06 -1.98 -2.33 115.95 115.78 1oco h TRP 19 Ca 0.00 -0.16 -0.14 0.00 2.06 0.00 0.00 58.89 60.66 1oco h TRP 19 Cb 0.08 -0.01 -0.01 0.00 -1.00 0.00 0.00 29.16 28.22 1oco h TRP 19 CO 0.00 1.23 -0.45 -0.09 -3.56 0.00 0.00 178.44 175.56 1oco h ARG 20 N 0.03 0.52 0.17 0.49 2.43 -1.72 -1.78 114.38 114.52 1oco h ARG 20 Ca -0.25 -0.29 -0.01 0.00 -0.81 0.00 0.00 59.98 58.63 1oco h ARG 20 Cb 1.98 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 31.55 1oco h ARG 20 CO 0.12 0.87 -0.08 1.25 -1.51 0.00 0.00 179.97 180.62 1oco h LEU 21 N 0.42 -0.19 -0.98 3.80 5.85 -1.49 0.17 115.31 122.89 1oco h LEU 21 Ca 0.03 -0.16 0.30 0.00 0.84 0.00 0.00 57.88 58.90 1oco h LEU 21 Cb 0.96 0.05 -0.15 0.00 0.37 0.00 0.00 40.66 41.89 1oco h LEU 21 CO 0.09 0.04 0.50 0.25 -0.34 0.00 0.00 178.44 178.98 1oco h LEU 22 N -0.43 0.41 -0.01 2.25 6.46 -1.03 0.38 115.31 123.33 1oco h LEU 22 Ca -0.02 0.19 -0.26 0.00 -0.12 0.00 0.00 57.88 57.66 1oco h LEU 22 Cb 0.34 0.16 0.02 0.00 -0.73 0.00 0.00 40.66 40.45 1oco h LEU 22 CO 0.04 -0.14 -1.09 0.00 -0.62 0.00 0.00 178.44 176.63 1oco h ALA 23 N 1.84 0.16 -0.01 1.25 0.00 -0.83 -2.30 119.26 119.38 1oco h ALA 23 Ca 0.70 -0.74 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1oco h ALA 23 Cb 1.55 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.38 1oco h ALA 23 CO -0.62 0.76 0.00 0.52 0.00 0.00 0.00 179.25 179.91 1oco h MET 24 N 0.27 0.01 -0.13 0.00 2.86 0.26 -2.21 114.93 116.00 1oco h MET 24 Ca -0.13 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.51 1oco h MET 24 Cb 1.75 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.41 1oco h MET 24 CO 0.20 0.31 0.08 0.52 1.06 0.00 0.00 176.91 179.09 1oco h MET 25 N -0.29 0.16 -0.03 1.72 2.07 -0.69 -0.19 114.93 117.68 1oco h MET 25 Ca 0.00 -0.01 -0.01 0.00 -2.07 0.00 0.00 59.70 57.61 1oco h MET 25 Cb 0.31 -0.04 -0.00 0.00 -1.87 0.00 0.00 31.60 30.00 1oco h MET 25 CO 0.00 0.10 -0.01 1.15 1.07 0.00 0.00 176.91 179.22 1oco h THR 26 N 0.16 1.34 -0.88 2.22 2.02 -1.28 -1.78 112.91 114.72 1oco h THR 26 Ca 0.05 -1.03 -0.03 0.00 0.77 0.00 0.00 66.41 66.17 1oco h THR 26 Cb -0.01 1.98 -0.04 0.00 -1.74 0.00 0.00 68.15 68.34 1oco h THR 26 CO -0.01 0.27 0.45 -0.07 0.37 0.00 0.00 175.52 176.53 1oco h LEU 27 N -0.35 1.13 0.00 2.58 4.07 -0.80 0.22 115.31 122.15 1oco h LEU 27 Ca 0.01 -0.12 0.00 0.00 0.08 0.00 0.00 57.88 57.85 1oco h LEU 27 Cb 0.45 -0.29 0.00 0.00 1.08 0.00 0.00 40.66 41.90 1oco h LEU 27 CO 0.00 0.93 0.00 0.33 -1.08 0.00 0.00 178.44 178.62 1oco n PHE 28 N -4.32 0.00 -0.19 1.13 7.35 -0.14 -0.80 117.46 120.50 1oco n PHE 28 Ca 0.09 0.00 -0.09 0.00 -0.76 0.00 0.00 57.45 56.69 1oco n PHE 28 Cb 0.12 -0.42 0.01 0.00 0.35 0.00 0.00 39.48 39.54 1oco n PHE 28 CO 0.00 0.00 0.00 0.74 -0.76 0.00 0.00 176.76 176.74 1oco h PHE 29 N 0.00 1.01 -0.85 -5.13 -1.00 -1.39 -2.93 116.94 106.65 1oco h PHE 29 Ca 0.00 -0.17 0.11 0.00 2.81 0.00 0.00 57.97 60.73 1oco h PHE 29 Cb 0.00 -0.27 -0.08 0.00 3.61 0.00 0.00 35.95 39.21 1oco h PHE 29 CO 0.13 0.92 0.48 0.78 -1.61 0.00 0.00 178.31 179.01 1oco h GLY 30 N 0.81 1.35 1.73 -1.45 0.00 -0.62 -0.35 103.07 104.54 1oco h GLY 30 Ca 0.15 -0.31 -0.10 0.00 0.00 0.00 0.00 47.33 47.07 1oco h GLY 30 CO 0.02 0.08 -0.36 1.48 0.00 0.00 0.00 176.54 177.77 1oco h SER 31 N 0.76 0.32 0.35 0.19 4.64 -0.84 -1.57 113.55 117.40 1oco h SER 31 Ca 0.43 -0.12 -0.02 0.00 -0.47 0.00 0.00 61.79 61.61 1oco h SER 31 Cb 0.47 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 1oco h SER 31 CO -0.28 0.66 -0.17 1.23 -0.87 0.00 0.00 176.83 177.39 1oco h GLY 32 N 1.13 -0.50 1.77 -0.77 0.00 -0.93 -2.38 103.07 101.39 1oco h GLY 32 Ca 0.03 0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.55 1oco h GLY 32 CO 0.06 -0.18 0.15 -2.75 0.00 0.00 0.00 176.54 173.82 1oco h PHE 33 N -0.67 0.29 0.01 5.60 3.57 -1.15 -2.74 116.94 121.85 1oco h PHE 33 Ca -0.05 0.01 -0.20 0.00 3.53 0.00 0.00 57.97 61.26 1oco h PHE 33 Cb 0.48 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.10 1oco h PHE 33 CO -0.01 0.18 -0.91 0.00 -2.23 0.00 0.00 178.31 175.34 1oco h ALA 34 N 1.86 0.50 -0.42 2.41 0.00 -1.20 -3.37 119.26 119.04 1oco h ALA 34 Ca 0.08 -0.79 0.09 0.00 0.00 0.00 0.00 54.91 54.29 1oco h ALA 34 Cb -0.03 -0.11 -0.09 0.00 0.00 0.00 0.00 17.79 17.55 1oco h ALA 34 CO -0.02 1.05 -0.27 0.00 0.00 0.00 0.00 179.25 180.01 1oco h ALA 35 N 1.04 -0.03 -0.67 0.00 0.00 -1.10 -1.27 119.26 117.22 1oco h ALA 35 Ca -0.03 0.13 0.09 0.00 0.00 0.00 0.00 54.91 55.11 1oco h ALA 35 Cb 1.58 0.61 -0.07 0.00 0.00 0.00 0.00 17.79 19.91 1oco h ALA 35 CO 0.13 -0.64 0.30 -1.35 0.00 0.00 0.00 179.25 177.69 1oco h PRO 36 N -0.19 0.50 -0.81 0.00 0.11 -1.73 -1.04 132.00 128.84 1oco h PRO 36 Ca 0.19 -0.03 0.05 0.00 0.11 0.00 0.00 66.00 66.32 1oco h PRO 36 Cb 0.50 -0.11 -0.06 0.00 0.11 0.00 0.00 31.00 31.44 1oco h PRO 36 CO -0.53 0.33 0.50 0.74 -0.21 0.00 0.00 178.00 178.84 1oco h PHE 37 N 0.52 0.93 0.00 0.65 0.04 -1.47 -1.63 116.94 115.99 1oco h PHE 37 Ca 0.33 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 61.12 1oco h PHE 37 Cb 0.38 -0.30 -0.00 0.00 2.20 0.00 0.00 35.95 38.22 1oco h PHE 37 CO -0.13 0.49 -0.06 0.74 -0.60 0.00 0.00 178.31 178.75 1oco h PHE 38 N 0.94 0.00 -0.35 -0.55 -1.00 -0.87 -2.73 116.94 112.38 1oco h PHE 38 Ca 0.35 0.00 -0.16 0.00 2.81 0.00 0.00 57.97 60.97 1oco h PHE 38 Cb 0.12 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.67 1oco h PHE 38 CO -0.04 0.06 -0.41 0.82 -1.61 0.00 0.00 178.31 177.14 1oco h ILE 39 N 0.00 1.28 -0.30 -0.55 2.04 -0.26 -1.66 117.51 118.06 1oco h ILE 39 Ca -0.00 -1.58 -0.05 0.00 1.00 0.00 0.00 64.86 64.23 1oco h ILE 39 Cb 0.98 1.44 -0.01 0.00 -0.74 0.00 0.00 36.82 38.49 1oco h ILE 39 CO 0.01 0.52 -0.02 0.58 0.00 0.00 0.00 178.15 179.24 1oco h VAL 40 N 0.70 1.26 -0.96 1.67 2.07 -1.41 -1.44 116.25 118.15 1oco h VAL 40 Ca 0.05 -0.98 0.07 0.00 0.82 0.00 0.00 66.70 66.66 1oco h VAL 40 Cb 0.99 1.31 -0.07 0.00 -1.52 0.00 0.00 31.29 32.00 1oco h VAL 40 CO 0.09 0.31 0.61 -0.09 0.02 0.00 0.00 177.57 178.52 1oco h ARG 41 N 0.32 1.07 -0.46 1.57 2.43 -1.38 0.21 114.38 118.14 1oco h ARG 41 Ca 0.08 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.17 1oco h ARG 41 Cb 0.46 -0.24 -0.02 0.00 -0.42 0.00 0.00 29.97 29.75 1oco h ARG 41 CO 0.02 0.71 0.21 1.25 -1.51 0.00 0.00 179.97 180.65 1oco h HIS 42 N 1.10 0.67 -0.38 2.20 2.76 -1.00 0.12 115.15 120.61 1oco h HIS 42 Ca 0.42 -0.04 -0.15 0.00 -2.20 0.00 0.00 60.37 58.40 1oco h HIS 42 Cb 0.19 -0.21 -0.01 0.00 1.55 0.00 0.00 27.41 28.93 1oco h HIS 42 CO -0.01 0.55 -0.34 1.96 -1.30 0.00 0.00 177.93 178.79 1oco h GLN 43 N 0.60 0.88 0.00 5.26 1.08 -0.59 -2.69 115.11 119.64 1oco h GLN 43 Ca 0.16 -0.43 0.00 0.00 -1.45 0.00 0.00 58.65 56.93 1oco h GLN 43 Cb 0.14 -0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.57 1oco h GLN 43 CO -0.02 1.08 0.00 -0.07 -0.95 0.00 0.00 178.83 178.87 1oco h LEU 44 N 0.73 0.00 -6.14 1.46 4.07 -0.15 -3.19 115.31 112.09 1oco h LEU 44 Ca 0.07 0.00 -0.70 0.00 0.08 0.00 0.00 57.88 57.33 1oco h LEU 44 Cb 0.91 0.00 -0.35 0.00 1.08 0.00 0.00 40.66 42.30 1oco h LEU 44 CO 0.08 0.00 0.15 0.18 -1.08 0.00 0.00 178.44 177.78 1oco n LEU 45 N -2.98 5.55 -3.62 1.67 4.77 0.36 -4.99 117.00 117.78 1oco n LEU 45 Ca -0.00 -5.44 -0.16 0.00 -0.03 0.00 0.00 56.01 50.38 1oco n LEU 45 Cb 0.24 -0.91 -0.07 0.00 -2.33 0.00 0.00 43.42 40.34 1oco n LEU 45 CO 0.24 2.05 0.28 -0.54 -1.33 0.00 0.00 177.39 178.10 1oco s LYS 46 N -3.32 0.89 0.00 3.23 1.02 -1.21 -4.91 119.74 115.44 1oco s LYS 46 Ca 0.40 0.17 0.00 0.00 0.02 0.00 0.00 55.97 56.56 1oco s LYS 46 Cb 0.17 0.41 0.00 0.00 -0.52 0.00 0.00 37.83 37.90 1oco s LYS 46 CO -0.05 -0.25 0.00 1.17 -0.92 0.00 0.00 175.35 175.30