#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 0.00 -3.94 5.64 4.02 -0.62 -5.05 117.16 117.21 1ohm n TYR 2 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 1ohm n TYR 2 Cb 0.00 -0.38 0.00 0.00 -0.02 0.00 0.00 39.34 38.94 1ohm n TYR 2 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 176.86 176.83 1ohm n TYR 3 N -2.23 0.00 -1.06 -0.72 9.36 -0.68 -5.03 117.16 116.80 1ohm n TYR 3 Ca -0.12 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.10 1ohm n TYR 3 Cb 0.69 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.40 1ohm n TYR 3 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1ohm n GLY 4 N 0.62 0.16 2.66 2.98 0.00 -1.04 -4.43 105.19 106.14 1ohm n GLY 4 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 1ohm n GLY 4 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1ohm s ASN 5 N 0.00 3.24 -0.00 1.61 2.47 -1.26 -4.84 114.94 116.16 1ohm s ASN 5 Ca 0.00 -3.40 -0.00 0.00 0.42 0.00 0.00 52.86 49.88 1ohm s ASN 5 Cb 0.00 -1.06 0.00 0.00 -1.45 0.00 0.00 41.25 38.74 1ohm s ASN 5 CO 0.00 -0.14 0.00 0.61 -3.72 0.00 0.00 177.10 173.85 1ohm n GLY 6 N 2.50 -2.93 1.35 1.21 0.00 -1.26 -5.07 105.19 100.99 1ohm n GLY 6 Ca 0.23 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.80 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 0.04 -1.70 -0.05 1.61 3.14 -1.26 -4.96 118.33 115.15 1ohm n VAL 7 Ca -0.00 0.85 -0.06 0.00 -2.96 0.00 0.00 64.34 62.17 1ohm n VAL 7 Cb 0.01 -1.42 -0.05 0.00 -1.06 0.00 0.00 33.84 31.31 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 -2.38 0.00 0.00 1.45 -0.00 0.32 -2.50 115.22 112.12 1ohm n HIS 8 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 1ohm n HIS 8 Cb 0.29 -0.40 0.00 0.00 -0.00 0.00 0.00 29.99 29.88 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 0.00 3.62 0.34 0.00 0.00 -1.26 -3.46 105.19 104.43 1ohm n GLY 10 Ca 0.00 -0.84 0.11 0.00 0.00 0.00 0.00 46.02 45.30 1ohm n GLY 10 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1ohm h LYS 11 N 0.00 0.00 -0.89 1.61 3.64 -2.01 -0.51 116.57 118.41 1ohm h LYS 11 Ca 0.00 0.00 0.10 0.00 -1.27 0.00 0.00 60.65 59.48 1ohm h LYS 11 Cb 0.00 0.00 -0.12 0.00 -0.41 0.00 0.00 32.23 31.70 1ohm h LYS 11 CO 0.00 0.00 -0.46 0.72 -2.27 0.00 0.00 179.45 177.44 1ohm n HIS 12 N -2.83 -0.23 0.00 1.91 8.25 -1.26 -4.89 115.22 116.17 1ohm n HIS 12 Ca -0.00 1.11 0.00 0.00 -0.26 0.00 0.00 57.72 58.57 1ohm n HIS 12 Cb 0.62 -0.67 0.00 0.00 1.12 0.00 0.00 29.99 31.06 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 -5.19 0.00 0.00 0.41 3.41 -0.21 -5.11 113.62 106.94 1ohm n SER 13 Ca 0.05 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.66 1ohm n SER 13 Cb 0.28 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.23 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 -1.40 0.00 -2.92 0.00 -1.04 -1.22 -4.66 114.28 103.04 1ohm n THR 15 Ca 0.00 0.00 -0.01 0.00 -2.04 0.00 0.00 64.05 62.00 1ohm n THR 15 Cb 0.00 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 68.50 1ohm n THR 15 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 1ohm n VAL 16 N 0.00 -6.40 1.08 12.58 0.31 -1.26 -0.52 118.33 124.12 1ohm n VAL 16 Ca 0.00 1.19 0.12 0.00 -0.01 0.00 0.00 64.34 65.64 1ohm n VAL 16 Cb 0.00 -4.51 0.14 0.00 -0.91 0.00 0.00 33.84 28.57 1ohm n VAL 16 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1ohm n ASP 17 N 1.67 2.38 0.00 4.52 5.75 -1.26 -3.78 116.55 125.82 1ohm n ASP 17 Ca -0.11 -1.71 0.00 0.00 -0.01 0.00 0.00 54.79 52.96 1ohm n ASP 17 Cb 0.29 0.15 0.00 0.00 -1.03 0.00 0.00 41.12 40.53 1ohm n ASP 17 CO 0.00 0.00 0.00 -2.67 -0.11 0.00 0.00 177.20 174.42 1ohm n TRP 18 N 0.64 0.00 0.23 2.11 4.27 -1.26 -4.70 117.44 118.73 1ohm n TRP 18 Ca 0.13 0.00 0.12 0.00 -3.89 0.00 0.00 57.50 53.86 1ohm n TRP 18 Cb 0.51 0.00 0.41 0.00 -1.36 0.00 0.00 31.31 30.87 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 0.00 0.75 -1.67 0.00 -1.98 -1.48 103.07 98.69 1ohm h GLY 19 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 1ohm h GLY 19 CO 0.00 0.00 -0.13 -0.91 0.00 0.00 0.00 176.54 175.50 1ohm h THR 20 N 0.00 0.76 0.02 4.70 1.35 -1.92 -1.84 112.91 115.99 1ohm h THR 20 Ca -0.00 -0.47 0.03 0.00 -0.55 0.00 0.00 66.41 65.41 1ohm h THR 20 Cb 0.81 1.02 -0.04 0.00 -1.73 0.00 0.00 68.15 68.21 1ohm h THR 20 CO 0.02 0.10 -0.27 0.00 -0.25 0.00 0.00 175.52 175.12 1ohm h ALA 21 N 0.01 -0.39 0.00 6.62 0.00 -1.72 0.35 119.26 124.12 1ohm h ALA 21 Ca -0.04 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1ohm h ALA 21 Cb 0.45 0.47 -0.00 0.00 0.00 0.00 0.00 17.79 18.71 1ohm h ALA 21 CO 0.06 -0.78 -0.12 -0.84 0.00 0.00 0.00 179.25 177.57 1ohm h ILE 22 N -0.43 0.72 -0.06 0.00 3.07 -1.40 -1.94 117.51 117.48 1ohm h ILE 22 Ca 0.06 -0.49 -0.01 0.00 1.55 0.00 0.00 64.86 65.96 1ohm h ILE 22 Cb 0.50 1.30 -0.00 0.00 -0.27 0.00 0.00 36.82 38.35 1ohm h ILE 22 CO -0.22 0.12 -0.01 1.23 -1.05 0.00 0.00 178.15 178.22 1ohm h GLY 23 N 0.65 0.12 0.16 0.16 0.00 -0.42 -0.04 103.07 103.70 1ohm h GLY 23 Ca -0.00 -0.09 0.02 0.00 0.00 0.00 0.00 47.33 47.26 1ohm h GLY 23 CO 0.02 0.08 -0.45 0.00 0.00 0.00 0.00 176.54 176.19 1ohm h ILE 25 N -0.64 0.00 -0.61 0.00 2.04 -1.41 -2.82 117.51 114.07 1ohm h ILE 25 Ca 0.03 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.88 1ohm h ILE 25 Cb 0.69 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.74 1ohm h ILE 25 CO -0.30 0.00 0.33 1.23 0.00 0.00 0.00 178.15 179.41 1ohm h GLY 26 N -0.39 0.91 0.94 5.37 0.00 -0.98 0.39 103.07 109.30 1ohm h GLY 26 Ca 0.01 -0.42 -0.04 0.00 0.00 0.00 0.00 47.33 46.88 1ohm h GLY 26 CO -0.23 0.40 -0.40 -0.57 0.00 0.00 0.00 176.54 175.73 1ohm h ASN 27 N 0.83 -0.95 0.53 0.19 -0.73 -1.58 -2.72 115.58 111.14 1ohm h ASN 27 Ca 0.21 0.02 -0.10 0.00 1.87 0.00 0.00 56.30 58.31 1ohm h ASN 27 Cb 0.05 0.25 -0.01 0.00 0.27 0.00 0.00 38.32 38.87 1ohm h ASN 27 CO -0.03 -0.64 -0.48 0.78 -0.37 0.00 0.00 177.43 176.69 1ohm h ASN 28 N -1.21 0.00 0.00 1.15 2.35 -1.35 -2.48 115.58 114.04 1ohm h ASN 28 Ca -0.11 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.64 1ohm h ASN 28 Cb 0.87 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.24 1ohm h ASN 28 CO 0.19 0.48 0.00 0.00 -1.65 0.00 0.00 177.43 176.45 1ohm n ALA 29 N -2.43 -0.29 0.27 -0.83 0.00 0.11 -2.44 120.51 114.90 1ohm n ALA 29 Ca -0.01 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.60 1ohm n ALA 29 Cb 0.51 0.07 0.87 0.00 0.00 0.00 0.00 19.45 20.90 1ohm n ALA 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ohm h ALA 30 N -1.89 1.00 -0.34 0.00 0.00 -1.47 0.32 119.26 116.88 1ohm h ALA 30 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1ohm h ALA 30 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1ohm h ALA 30 CO 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 179.25 179.15 1ohm h ALA 31 N 2.02 1.20 0.00 0.00 0.00 -1.42 -3.39 119.26 117.67 1ohm h ALA 31 Ca 0.00 -0.27 -0.18 0.00 0.00 0.00 0.00 54.91 54.46 1ohm h ALA 31 Cb 0.07 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 1ohm h ALA 31 CO 0.00 0.51 -1.68 0.09 0.00 0.00 0.00 179.25 178.17 1ohm n ASN 32 N -4.20 3.00 0.00 0.00 4.13 0.50 -5.10 115.26 113.59 1ohm n ASN 32 Ca 0.01 -0.06 0.00 0.00 1.68 0.00 0.00 54.58 56.21 1ohm n ASN 32 Cb 0.32 -0.05 0.00 0.00 -1.54 0.00 0.00 39.78 38.51 1ohm n ASN 32 CO 0.00 0.00 0.00 1.87 0.28 0.00 0.00 177.26 179.41 1ohm n TRP 33 N -2.78 0.00 0.00 3.10 -0.00 0.81 -4.77 117.44 113.81 1ohm n TRP 33 Ca -0.21 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.29 1ohm n TRP 33 Cb 0.74 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 32.05 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 -3.00 1.36 -2.76 5.87 0.00 -1.24 -3.74 120.51 117.00 1ohm n ALA 34 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 1ohm n ALA 34 Cb 0.00 0.00 0.09 0.00 0.00 0.00 0.00 19.45 19.54 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 -0.85 0.01 -1.00 0.00 -2.24 -1.26 -4.73 114.28 104.21 1ohm n THR 35 Ca 0.00 -1.75 -0.00 0.00 -2.27 0.00 0.00 64.05 60.03 1ohm n THR 35 Cb 0.00 1.27 -0.00 0.00 -2.10 0.00 0.00 70.33 69.50 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 0.17 0.42 4.60 3.38 0.00 -1.25 -1.74 105.19 110.76 1ohm n GLY 36 Ca 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1ohm n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ohm n GLY 37 N -2.34 1.03 0.00 -0.02 0.00 -1.26 -4.08 105.19 98.52 1ohm n GLY 37 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1ohm n GLY 37 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1ohm n ASN 38 N 0.36 0.00 -1.38 1.61 2.04 -1.20 -5.02 115.26 111.66 1ohm n ASN 38 Ca 0.00 -1.00 -0.13 0.00 -0.44 0.00 0.00 54.58 53.01 1ohm n ASN 38 Cb 0.00 0.00 -0.06 0.00 -2.53 0.00 0.00 39.78 37.19 1ohm n ASN 38 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1ohm n ALA 39 N 0.00 -0.20 1.58 -2.53 0.00 -0.71 -4.88 120.51 113.77 1ohm n ALA 39 Ca 0.00 0.21 0.02 0.00 0.00 0.00 0.00 53.44 53.67 1ohm n ALA 39 Cb 0.43 -1.40 0.11 0.00 0.00 0.00 0.00 19.45 18.60 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 -0.24 -0.79 0.17 0.00 0.00 -1.26 -2.65 105.19 100.41 1ohm n GLY 40 Ca -0.13 -0.02 -0.05 0.00 0.00 0.00 0.00 46.02 45.81 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 0.26 0.00 1.61 0.09 -1.89 -3.42 115.95 112.60 1ohm h TRP 41 Ca 0.00 0.02 0.00 0.00 0.09 0.00 0.00 58.89 59.00 1ohm h TRP 41 Cb 0.00 -0.06 0.00 0.00 0.08 0.00 0.00 29.16 29.18 1ohm h TRP 41 CO 0.00 0.10 0.00 0.27 0.09 0.00 0.00 178.44 178.90 1ohm n ASN 42 N -5.01 0.00 -4.37 0.11 0.23 -1.26 -5.02 115.26 99.94 1ohm n ASN 42 Ca 0.03 -0.77 -0.44 0.00 -0.53 0.00 0.00 54.58 52.86 1ohm n ASN 42 Cb 0.15 0.00 -0.01 0.00 -2.08 0.00 0.00 39.78 37.84 1ohm n ASN 42 CO 0.00 0.00 0.00 2.29 -0.93 0.00 0.00 177.26 178.62 1ohm n LYS 43 N 0.00 0.18 0.00 -3.83 2.85 -1.09 -5.21 118.16 111.07 1ohm n LYS 43 Ca 0.00 0.06 0.05 0.00 -1.05 0.00 0.00 58.31 57.38 1ohm n LYS 43 Cb 0.27 -1.14 0.33 0.00 -0.65 0.00 0.00 35.03 33.83 1ohm n LYS 43 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35