#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ohm h TYR 2 N 0.00 0.00 0.00 2.13 0.05 -2.01 -1.50 116.97 115.64 1ohm h TYR 2 Ca 0.00 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.77 1ohm h TYR 2 Cb 0.00 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.74 1ohm h TYR 2 CO 0.00 0.12 -0.03 0.10 -1.05 0.00 0.00 178.16 177.31 1ohm h TYR 3 N 0.00 0.00 0.00 4.88 -0.00 -1.95 -3.50 116.97 116.40 1ohm h TYR 3 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.73 1ohm h TYR 3 Cb 0.36 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.09 1ohm h TYR 3 CO 0.00 0.03 0.00 0.41 -0.00 0.00 0.00 178.16 178.60 1ohm n GLY 4 N -0.34 0.04 0.19 0.10 0.00 -0.57 -4.70 105.19 99.92 1ohm n GLY 4 Ca -0.01 -1.91 0.08 0.00 0.00 0.00 0.00 46.02 44.19 1ohm n GLY 4 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1ohm h ASN 5 N 0.00 0.00 -0.40 1.61 -1.24 -1.91 -3.18 115.58 110.46 1ohm h ASN 5 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 1ohm h ASN 5 Cb 0.00 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.05 1ohm h ASN 5 CO 0.00 0.20 0.00 0.61 -1.29 0.00 0.00 177.43 176.95 1ohm n GLY 6 N 1.15 -0.78 6.40 1.57 0.00 -1.26 -4.92 105.19 107.34 1ohm n GLY 6 Ca 0.03 -1.64 0.00 0.00 0.00 0.00 0.00 46.02 44.41 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 -0.37 0.00 -0.22 1.61 3.14 -1.26 -4.83 118.33 116.40 1ohm n VAL 7 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 1ohm n VAL 7 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 1ohm n VAL 7 CO 0.00 0.00 0.00 1.41 -6.46 0.00 0.00 176.83 171.78 1ohm n HIS 8 N 0.00 0.00 -1.67 1.45 -0.00 -1.26 -4.95 115.22 108.79 1ohm n HIS 8 Ca 0.00 0.00 -0.59 0.00 -0.00 0.00 0.00 57.72 57.13 1ohm n HIS 8 Cb 0.00 -0.22 -0.08 0.00 -0.00 0.00 0.00 29.99 29.69 1ohm n HIS 8 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1ohm n GLY 10 N 3.44 1.05 4.93 0.00 0.00 0.10 -4.96 105.19 109.75 1ohm n GLY 10 Ca 0.25 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.76 1ohm n GLY 10 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1ohm n LYS 11 N 0.98 0.00 -0.37 1.61 4.81 -1.26 -4.62 118.16 119.31 1ohm n LYS 11 Ca 0.12 0.00 0.01 0.00 -0.87 0.00 0.00 58.31 57.57 1ohm n LYS 11 Cb 0.45 -2.39 0.06 0.00 0.02 0.00 0.00 35.03 33.18 1ohm n LYS 11 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1ohm n HIS 12 N -0.39 0.11 -3.38 5.64 8.25 -1.26 -4.98 115.22 119.20 1ohm n HIS 12 Ca 0.00 1.20 0.00 0.00 -0.26 0.00 0.00 57.72 58.66 1ohm n HIS 12 Cb 0.00 -0.91 0.00 0.00 1.12 0.00 0.00 29.99 30.20 1ohm n HIS 12 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1ohm n SER 13 N -5.47 0.00 -3.66 0.41 3.41 -1.26 -5.19 113.62 101.85 1ohm n SER 13 Ca 0.11 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.62 1ohm n SER 13 Cb 0.41 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.31 1ohm n SER 13 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ohm n THR 15 N -0.13 0.00 -1.19 0.00 -1.04 -1.26 -5.04 114.28 105.62 1ohm n THR 15 Ca -0.16 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.85 1ohm n THR 15 Cb 0.63 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.14 1ohm n THR 15 CO 0.00 0.00 0.00 0.55 -0.64 0.00 0.00 175.07 174.98 1ohm n VAL 16 N 0.00 0.00 0.00 12.58 3.14 -1.26 -4.83 118.33 127.96 1ohm n VAL 16 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 1ohm n VAL 16 Cb 0.00 1.30 0.00 0.00 -1.06 0.00 0.00 33.84 34.08 1ohm n VAL 16 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 1ohm n ASP 17 N 0.00 0.00 0.00 6.55 2.03 -1.26 -4.09 116.55 119.78 1ohm n ASP 17 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1ohm n ASP 17 Cb 0.22 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.62 1ohm n ASP 17 CO 0.00 0.00 0.00 -2.67 -1.92 0.00 0.00 177.20 172.61 1ohm n TRP 18 N -1.77 0.00 -0.09 -0.67 4.27 -1.26 -4.78 117.44 113.15 1ohm n TRP 18 Ca 0.00 0.00 -0.14 0.00 -3.89 0.00 0.00 57.50 53.47 1ohm n TRP 18 Cb 0.00 0.09 -0.04 0.00 -1.36 0.00 0.00 31.31 30.00 1ohm n TRP 18 CO 0.00 0.00 0.00 0.78 -2.29 0.00 0.00 177.69 176.18 1ohm h GLY 19 N 0.00 0.99 1.83 -1.67 0.00 -1.95 -1.30 103.07 100.97 1ohm h GLY 19 Ca 0.00 -1.11 -0.08 0.00 0.00 0.00 0.00 47.33 46.14 1ohm h GLY 19 CO 0.00 1.00 -0.27 -0.91 0.00 0.00 0.00 176.54 176.35 1ohm h THR 20 N 0.70 1.24 0.12 4.70 1.35 -1.98 -1.29 112.91 117.76 1ohm h THR 20 Ca 0.03 -1.14 -0.01 0.00 -0.55 0.00 0.00 66.41 64.74 1ohm h THR 20 Cb 1.11 1.47 0.00 0.00 -1.73 0.00 0.00 68.15 69.00 1ohm h THR 20 CO 0.12 0.34 -0.06 0.00 -0.25 0.00 0.00 175.52 175.67 1ohm h ALA 21 N 1.54 -0.16 -0.81 6.62 0.00 -1.78 0.50 119.26 125.17 1ohm h ALA 21 Ca 0.03 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1ohm h ALA 21 Cb 0.59 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.40 1ohm h ALA 21 CO 0.04 -0.58 0.39 0.82 0.00 0.00 0.00 179.25 179.93 1ohm h ILE 22 N -0.19 1.25 -0.38 0.00 1.08 -1.21 -1.11 117.51 116.95 1ohm h ILE 22 Ca -0.02 -0.70 0.03 0.00 -0.39 0.00 0.00 64.86 63.78 1ohm h ILE 22 Cb 0.15 0.21 -0.03 0.00 -3.07 0.00 0.00 36.82 34.07 1ohm h ILE 22 CO 0.03 0.30 0.19 1.23 -0.69 0.00 0.00 178.15 179.20 1ohm h GLY 23 N 1.18 0.52 0.00 5.37 0.00 -0.96 0.95 103.07 110.13 1ohm h GLY 23 Ca 0.28 -0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.48 1ohm h GLY 23 CO -0.04 0.09 0.00 0.00 0.00 0.00 0.00 176.54 176.59 1ohm h ILE 25 N 0.00 0.43 0.26 0.00 5.03 -1.20 0.17 117.51 122.21 1ohm h ILE 25 Ca 0.00 -0.16 -0.01 0.00 -0.12 0.00 0.00 64.86 64.57 1ohm h ILE 25 Cb 0.00 -0.06 0.00 0.00 -3.03 0.00 0.00 36.82 33.73 1ohm h ILE 25 CO 0.00 0.08 -0.13 1.23 -0.68 0.00 0.00 178.15 178.66 1ohm h GLY 26 N 0.46 -0.37 0.96 5.37 0.00 -0.86 0.12 103.07 108.74 1ohm h GLY 26 Ca 0.67 0.14 -0.03 0.00 0.00 0.00 0.00 47.33 48.10 1ohm h GLY 26 CO -0.54 -0.13 0.15 -0.57 0.00 0.00 0.00 176.54 175.45 1ohm h ASN 27 N -0.69 0.65 -0.09 0.19 -0.73 -1.06 -2.85 115.58 111.01 1ohm h ASN 27 Ca -0.04 -0.20 -0.10 0.00 1.87 0.00 0.00 56.30 57.84 1ohm h ASN 27 Cb 0.48 -0.17 -0.01 0.00 0.27 0.00 0.00 38.32 38.88 1ohm h ASN 27 CO 0.06 0.68 -0.24 0.78 -0.37 0.00 0.00 177.43 178.34 1ohm h ASN 28 N 0.59 0.52 0.14 1.15 -0.26 -1.07 -2.45 115.58 114.20 1ohm h ASN 28 Ca 0.15 -0.17 0.01 0.00 -0.56 0.00 0.00 56.30 55.72 1ohm h ASN 28 Cb 0.25 -0.14 -0.04 0.00 -1.06 0.00 0.00 38.32 37.33 1ohm h ASN 28 CO -0.01 0.75 -0.52 0.00 -1.06 0.00 0.00 177.43 176.60 1ohm h ALA 29 N 1.29 -1.00 0.00 -0.83 0.00 -0.63 -2.02 119.26 116.06 1ohm h ALA 29 Ca 0.07 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1ohm h ALA 29 Cb 0.66 0.88 -0.00 0.00 0.00 0.00 0.00 17.79 19.34 1ohm h ALA 29 CO 0.05 -1.12 -0.04 0.00 0.00 0.00 0.00 179.25 178.14 1ohm h ALA 30 N -0.59 1.13 0.00 0.00 0.00 -1.33 0.31 119.26 118.78 1ohm h ALA 30 Ca -0.01 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1ohm h ALA 30 Cb 0.75 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 1ohm h ALA 30 CO -0.27 0.04 -0.16 0.00 0.00 0.00 0.00 179.25 178.87 1ohm h ALA 31 N 1.96 1.05 0.00 0.00 0.00 -0.98 -3.33 119.26 117.96 1ohm h ALA 31 Ca -0.00 -0.15 -0.16 0.00 0.00 0.00 0.00 54.91 54.61 1ohm h ALA 31 Cb 0.21 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1ohm h ALA 31 CO 0.00 0.20 -1.80 0.27 0.00 0.00 0.00 179.25 177.93 1ohm n ASN 32 N -3.36 1.83 0.00 0.00 0.23 0.00 -5.05 115.26 108.91 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 0.37 1.09 0.00 0.00 -2.08 0.00 0.00 39.78 39.17 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 -2.31 0.00 -2.71 -2.53 -0.00 0.89 -3.85 117.44 106.94 1ohm n TRP 33 Ca -0.15 0.00 -0.04 0.00 -0.00 0.00 0.00 57.50 57.32 1ohm n TRP 33 Cb 0.73 0.00 0.10 0.00 -0.00 0.00 0.00 31.31 32.15 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 -0.70 2.47 -2.98 5.87 0.00 -1.14 -3.78 120.51 120.25 1ohm n ALA 34 Ca 0.00 -1.56 -0.14 0.00 0.00 0.00 0.00 53.44 51.74 1ohm n ALA 34 Cb 0.00 -0.89 0.02 0.00 0.00 0.00 0.00 19.45 18.58 1ohm n ALA 34 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1ohm n THR 35 N -1.02 -9.70 -0.00 0.00 5.66 -1.25 -4.98 114.28 102.99 1ohm n THR 35 Ca -0.07 0.72 0.00 0.00 -3.05 0.00 0.00 64.05 61.65 1ohm n THR 35 Cb 0.85 -6.57 0.00 0.00 -1.55 0.00 0.00 70.33 63.07 1ohm n THR 35 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1ohm n GLY 36 N -0.30 0.00 0.37 1.09 0.00 -1.26 -5.03 105.19 100.07 1ohm n GLY 36 Ca 0.08 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.70 -4.65 -0.02 0.00 -1.93 -3.47 103.07 92.31 1ohm h GLY 37 Ca 0.00 0.43 0.01 0.00 0.00 0.00 0.00 47.33 47.77 1ohm h GLY 37 CO 0.00 -0.26 0.34 0.54 0.00 0.00 0.00 176.54 177.16 1ohm s ASN 38 N -4.75 -0.55 0.27 0.19 4.22 -1.26 -5.07 114.94 108.00 1ohm s ASN 38 Ca -0.16 0.81 0.24 0.00 -2.14 0.00 0.00 52.86 51.62 1ohm s ASN 38 Cb 0.08 0.74 0.47 0.00 1.28 0.00 0.00 41.25 43.82 1ohm s ASN 38 CO 0.64 -0.36 1.55 0.00 -2.04 0.00 0.00 177.10 176.89 1ohm h ALA 39 N 3.56 0.86 0.00 3.54 0.00 -2.00 -3.34 119.26 121.88 1ohm h ALA 39 Ca -0.25 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1ohm h ALA 39 Cb 1.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1ohm h ALA 39 CO 0.23 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.89 1ohm n GLY 40 N 1.23 0.00 0.33 0.00 0.00 -1.26 -2.52 105.19 102.97 1ohm n GLY 40 Ca 0.04 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.21 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 0.00 0.82 0.00 1.61 0.09 -1.95 -3.44 115.95 113.08 1ohm h TRP 41 Ca 0.00 0.04 0.00 0.00 0.09 0.00 0.00 58.89 59.02 1ohm h TRP 41 Cb 0.00 -0.21 0.00 0.00 0.08 0.00 0.00 29.16 29.03 1ohm h TRP 41 CO 0.00 0.00 0.00 0.27 0.09 0.00 0.00 178.44 178.80 1ohm n ASN 42 N -4.97 0.00 -0.06 0.11 6.94 -1.22 -5.07 115.26 110.98 1ohm n ASN 42 Ca 0.24 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.80 1ohm n ASN 42 Cb 0.70 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 38.12 1ohm n ASN 42 CO 0.00 0.00 0.00 2.29 -1.03 0.00 0.00 177.26 178.52 1ohm n LYS 43 N 0.00 0.00 0.00 -3.83 2.85 -1.05 -5.19 118.16 110.94 1ohm n LYS 43 Ca 0.00 0.00 0.05 0.00 -1.05 0.00 0.00 58.31 57.31 1ohm n LYS 43 Cb 0.00 0.00 0.27 0.00 -0.65 0.00 0.00 35.03 34.65 1ohm n LYS 43 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35