#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ohm n TYR 2 N 0.00 -2.10 -0.04 5.58 4.01 -1.26 -4.92 117.16 118.43 1ohm n TYR 2 Ca 0.00 0.62 -0.02 0.00 -0.16 0.00 0.00 57.90 58.35 1ohm n TYR 2 Cb 0.00 -4.17 0.24 0.00 -0.31 0.00 0.00 39.34 35.10 1ohm n TYR 2 CO 0.00 0.00 0.00 0.10 -0.46 0.00 0.00 176.86 176.50 1ohm h TYR 3 N -1.56 0.64 -0.87 -0.72 -0.00 -2.04 -3.47 116.97 108.95 1ohm h TYR 3 Ca -0.52 -0.08 -0.26 0.00 0.00 0.00 0.00 58.73 57.87 1ohm h TYR 3 Cb 1.35 -0.18 -0.10 0.00 0.00 0.00 0.00 36.73 37.80 1ohm h TYR 3 CO 0.56 0.63 -0.24 0.41 -0.00 0.00 0.00 178.16 179.52 1ohm n GLY 4 N -0.77 1.21 2.57 0.10 0.00 -1.26 -4.89 105.19 102.14 1ohm n GLY 4 Ca 0.02 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.85 1ohm n GLY 4 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ohm n ASN 5 N -0.77 3.13 0.00 1.61 3.02 -1.26 -5.00 115.26 115.99 1ohm n ASN 5 Ca -0.13 -3.27 0.00 0.00 -0.03 0.00 0.00 54.58 51.16 1ohm n ASN 5 Cb 0.52 -0.51 0.00 0.00 -0.61 0.00 0.00 39.78 39.19 1ohm n ASN 5 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ohm n GLY 6 N -0.24 0.70 3.26 7.41 0.00 -1.26 -4.58 105.19 110.47 1ohm n GLY 6 Ca 0.25 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.92 1ohm n GLY 6 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1ohm n VAL 7 N 0.00 0.37 -3.69 1.61 3.14 -1.11 -4.04 118.33 114.60 1ohm n VAL 7 Ca 0.00 -0.37 -0.30 0.00 -2.96 0.00 0.00 64.34 60.71 1ohm n VAL 7 Cb 0.00 -0.36 -0.14 0.00 -1.06 0.00 0.00 33.84 32.28 1ohm n VAL 7 CO 0.00 0.00 0.00 -1.00 -6.46 0.00 0.00 176.83 169.37 1ohm s HIS 8 N -2.12 1.62 0.16 1.45 3.76 -1.26 -4.88 115.29 114.02 1ohm s HIS 8 Ca 0.53 -1.87 -0.32 0.00 -0.15 0.00 0.00 55.06 53.24 1ohm s HIS 8 Cb -0.26 -1.64 -0.17 0.00 1.11 0.00 0.00 32.58 31.62 1ohm s HIS 8 CO 0.71 -0.85 0.92 0.00 -0.85 0.00 0.00 174.74 174.68 1ohm n GLY 10 N 1.82 0.18 4.08 0.00 0.00 -0.16 -4.98 105.19 106.13 1ohm n GLY 10 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 1ohm n GLY 10 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1ohm n LYS 11 N -0.17 -2.94 0.00 1.61 2.85 -1.26 -4.92 118.16 113.33 1ohm n LYS 11 Ca 0.00 0.35 0.02 0.00 -1.05 0.00 0.00 58.31 57.64 1ohm n LYS 11 Cb 0.22 -5.06 -0.01 0.00 -0.65 0.00 0.00 35.03 29.53 1ohm n LYS 11 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1ohm n HIS 12 N -4.22 0.00 0.00 5.58 8.25 -1.26 -4.98 115.22 118.59 1ohm n HIS 12 Ca 0.07 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.53 1ohm n HIS 12 Cb 0.49 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.60 1ohm n HIS 12 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1ohm n SER 13 N -0.68 0.00 -3.69 0.41 7.64 -1.26 -5.02 113.62 111.02 1ohm n SER 13 Ca 0.02 0.34 -0.12 0.00 1.01 0.00 0.00 58.87 60.11 1ohm n SER 13 Cb 0.09 -0.43 -0.12 0.00 -1.01 0.00 0.00 64.21 62.74 1ohm n SER 13 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ohm n THR 15 N 4.80 0.00 -4.28 0.00 -2.24 -1.26 -5.01 114.28 106.29 1ohm n THR 15 Ca -0.16 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.49 1ohm n THR 15 Cb 0.52 -0.01 -0.03 0.00 -2.10 0.00 0.00 70.33 68.70 1ohm n THR 15 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1ohm n VAL 16 N -0.44 0.00 0.00 2.28 0.31 -1.26 -4.90 118.33 114.31 1ohm n VAL 16 Ca 0.00 -1.05 0.00 0.00 -0.01 0.00 0.00 64.34 63.28 1ohm n VAL 16 Cb 0.03 0.29 0.00 0.00 -0.91 0.00 0.00 33.84 33.26 1ohm n VAL 16 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1ohm n ASP 17 N -1.48 0.00 -0.21 4.52 2.03 -1.26 -2.76 116.55 117.40 1ohm n ASP 17 Ca -0.06 0.00 -0.07 0.00 0.52 0.00 0.00 54.79 55.18 1ohm n ASP 17 Cb 0.28 0.00 0.03 0.00 -0.72 0.00 0.00 41.12 40.70 1ohm n ASP 17 CO 0.00 0.00 0.00 4.11 -1.92 0.00 0.00 177.20 179.39 1ohm h TRP 18 N 0.00 0.87 0.00 -0.67 5.08 -1.91 -3.09 115.95 116.23 1ohm h TRP 18 Ca 0.00 -0.06 -0.02 0.00 1.08 0.00 0.00 58.89 59.89 1ohm h TRP 18 Cb 0.00 -0.27 -0.00 0.00 -3.00 0.00 0.00 29.16 25.89 1ohm h TRP 18 CO 0.00 0.69 -0.09 0.78 -1.28 0.00 0.00 178.44 178.53 1ohm h GLY 19 N 0.81 0.00 1.44 11.11 0.00 -1.91 -1.98 103.07 112.54 1ohm h GLY 19 Ca 0.20 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.41 1ohm h GLY 19 CO -0.02 0.00 -0.29 -0.84 0.00 0.00 0.00 176.54 175.39 1ohm h THR 20 N 0.00 1.28 0.20 4.70 2.02 -1.85 -0.13 112.91 119.13 1ohm h THR 20 Ca -0.00 -1.39 -0.01 0.00 0.77 0.00 0.00 66.41 65.78 1ohm h THR 20 Cb 0.45 1.35 0.00 0.00 -1.74 0.00 0.00 68.15 68.22 1ohm h THR 20 CO 0.01 0.45 -0.09 0.00 0.37 0.00 0.00 175.52 176.26 1ohm h ALA 21 N 1.14 -0.26 -0.92 6.16 0.00 -1.39 0.11 119.26 124.09 1ohm h ALA 21 Ca 0.07 -0.07 0.09 0.00 0.00 0.00 0.00 54.91 55.00 1ohm h ALA 21 Cb 0.77 0.10 -0.07 0.00 0.00 0.00 0.00 17.79 18.59 1ohm h ALA 21 CO 0.06 -0.64 0.57 0.82 0.00 0.00 0.00 179.25 180.07 1ohm h ILE 22 N -0.29 0.97 -0.22 0.00 1.08 -1.30 -0.78 117.51 116.97 1ohm h ILE 22 Ca -0.03 -0.33 -0.04 0.00 -0.39 0.00 0.00 64.86 64.07 1ohm h ILE 22 Cb 0.22 -0.08 -0.01 0.00 -3.07 0.00 0.00 36.82 33.88 1ohm h ILE 22 CO 0.04 0.18 -0.00 1.23 -0.69 0.00 0.00 178.15 178.91 1ohm h GLY 23 N 0.97 0.43 0.09 5.37 0.00 -0.87 0.91 103.07 109.97 1ohm h GLY 23 Ca 0.43 -0.32 0.01 0.00 0.00 0.00 0.00 47.33 47.46 1ohm h GLY 23 CO -0.22 0.29 -0.48 0.00 0.00 0.00 0.00 176.54 176.13 1ohm h ILE 25 N -0.67 0.27 -0.16 0.00 5.03 -1.19 -2.87 117.51 117.92 1ohm h ILE 25 Ca -0.00 0.00 0.02 0.00 -0.12 0.00 0.00 64.86 64.76 1ohm h ILE 25 Cb 0.68 0.27 -0.02 0.00 -3.03 0.00 0.00 36.82 34.73 1ohm h ILE 25 CO -0.27 0.00 0.01 1.23 -0.68 0.00 0.00 178.15 178.44 1ohm h GLY 26 N -0.60 0.16 0.90 5.37 0.00 -0.66 0.20 103.07 108.45 1ohm h GLY 26 Ca 0.02 0.01 -0.03 0.00 0.00 0.00 0.00 47.33 47.33 1ohm h GLY 26 CO -0.18 -0.02 0.08 -0.57 0.00 0.00 0.00 176.54 175.85 1ohm h ASN 27 N 0.07 0.46 0.78 0.19 -1.24 -1.39 -2.87 115.58 111.58 1ohm h ASN 27 Ca 0.07 -0.22 -0.18 0.00 0.71 0.00 0.00 56.30 56.68 1ohm h ASN 27 Cb 0.08 -0.12 -0.02 0.00 0.73 0.00 0.00 38.32 38.99 1ohm h ASN 27 CO -0.12 0.56 -0.84 0.78 -1.29 0.00 0.00 177.43 176.53 1ohm h ASN 28 N 0.34 0.05 -0.00 1.15 2.35 -1.26 -2.56 115.58 115.65 1ohm h ASN 28 Ca 0.10 -0.05 0.01 0.00 -0.55 0.00 0.00 56.30 55.81 1ohm h ASN 28 Cb 0.28 -0.02 -0.02 0.00 0.05 0.00 0.00 38.32 38.61 1ohm h ASN 28 CO -0.00 0.87 -0.22 0.00 -1.65 0.00 0.00 177.43 176.43 1ohm h ALA 29 N 1.13 -0.68 0.00 -0.83 0.00 -0.64 -1.27 119.26 116.97 1ohm h ALA 29 Ca -0.02 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1ohm h ALA 29 Cb 1.48 0.69 -0.00 0.00 0.00 0.00 0.00 17.79 19.96 1ohm h ALA 29 CO 0.11 -0.75 -0.09 0.00 0.00 0.00 0.00 179.25 178.53 1ohm h ALA 30 N -1.07 1.26 0.00 0.00 0.00 -1.48 0.45 119.26 118.42 1ohm h ALA 30 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1ohm h ALA 30 Cb 0.29 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1ohm h ALA 30 CO -0.14 0.11 0.00 0.00 0.00 0.00 0.00 179.25 179.21 1ohm h ALA 31 N 1.91 1.00 0.00 0.00 0.00 -1.19 -3.35 119.26 117.64 1ohm h ALA 31 Ca -0.00 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1ohm h ALA 31 Cb 0.28 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1ohm h ALA 31 CO 0.01 0.00 -1.41 0.27 0.00 0.00 0.00 179.25 178.12 1ohm n ASN 32 N -3.07 3.20 0.00 0.00 0.23 0.73 -5.07 115.26 111.29 1ohm n ASN 32 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 1ohm n ASN 32 Cb 0.29 1.11 0.00 0.00 -2.08 0.00 0.00 39.78 39.10 1ohm n ASN 32 CO 0.00 0.00 0.00 1.87 -0.93 0.00 0.00 177.26 178.20 1ohm n TRP 33 N -1.95 0.00 -1.39 -2.53 -0.00 0.12 -3.20 117.44 108.49 1ohm n TRP 33 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.45 1ohm n TRP 33 Cb 0.40 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.71 1ohm n TRP 33 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 1ohm n ALA 34 N -0.94 0.88 0.00 5.87 0.00 -1.14 -3.55 120.51 121.63 1ohm n ALA 34 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.17 1ohm n ALA 34 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1ohm n ALA 34 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1ohm n THR 35 N 0.00 0.00 -0.13 0.00 -2.24 -1.26 -4.85 114.28 105.79 1ohm n THR 35 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1ohm n THR 35 Cb 0.47 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.70 1ohm n THR 35 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ohm n GLY 36 N 0.00 0.13 0.31 3.38 0.00 -1.26 -4.92 105.19 102.83 1ohm n GLY 36 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.09 1ohm n GLY 36 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1ohm h GLY 37 N 0.00 0.47 -1.83 -0.02 0.00 -1.90 -3.46 103.07 96.33 1ohm h GLY 37 Ca 0.00 -0.16 0.07 0.00 0.00 0.00 0.00 47.33 47.24 1ohm h GLY 37 CO 0.00 0.14 0.30 0.54 0.00 0.00 0.00 176.54 177.53 1ohm s ASN 38 N -6.63 -0.17 0.00 0.19 4.22 -1.26 -5.07 114.94 106.22 1ohm s ASN 38 Ca -0.07 -0.70 0.00 0.00 -2.14 0.00 0.00 52.86 49.94 1ohm s ASN 38 Cb 0.18 0.71 0.00 0.00 1.28 0.00 0.00 41.25 43.42 1ohm s ASN 38 CO 0.73 -1.34 0.00 0.00 -2.04 0.00 0.00 177.10 174.45 1ohm n ALA 39 N -0.49 1.57 0.57 3.54 0.00 -1.26 -4.83 120.51 119.62 1ohm n ALA 39 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1ohm n ALA 39 Cb 0.59 0.07 0.00 0.00 0.00 0.00 0.00 19.45 20.12 1ohm n ALA 39 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ohm n GLY 40 N 2.03 0.99 0.20 0.00 0.00 -1.26 -2.24 105.19 104.91 1ohm n GLY 40 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 1ohm n GLY 40 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 173.32 173.43 1ohm h TRP 41 N 0.62 -0.59 0.00 1.61 0.09 -1.99 -3.42 115.95 112.27 1ohm h TRP 41 Ca 0.00 0.01 0.00 0.00 0.09 0.00 0.00 58.89 58.99 1ohm h TRP 41 Cb 0.42 0.24 0.00 0.00 0.08 0.00 0.00 29.16 29.89 1ohm h TRP 41 CO 0.00 -0.26 0.00 0.09 0.09 0.00 0.00 178.44 178.36 1ohm n ASN 42 N -3.60 0.00 0.00 0.11 3.02 -1.26 -5.02 115.26 108.51 1ohm n ASN 42 Ca -0.04 -1.00 0.00 0.00 -0.03 0.00 0.00 54.58 53.51 1ohm n ASN 42 Cb 0.18 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.35 1ohm n ASN 42 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1ohm n LYS 43 N 0.00 0.00 0.00 3.52 4.76 -0.95 -5.15 118.16 120.35 1ohm n LYS 43 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1ohm n LYS 43 Cb 0.43 -2.09 0.00 0.00 -1.84 0.00 0.00 35.03 31.53 1ohm n LYS 43 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03