#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 -0.01 0.00 5.64 4.01 -1.26 -4.96 117.16 120.59 1ohm n TYR 2 Ca 0.00 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.64 1ohm n TYR 2 Cb 0.00 -1.69 -0.04 0.00 -0.31 0.00 0.00 39.34 37.31 1ohm n TYR 2 CO 0.00 0.00 0.00 -0.92 -0.46 0.00 0.00 176.86 175.48 1ohm h TYR 3 N 0.00 -0.23 0.00 -0.72 3.20 -2.02 -3.46 116.97 113.74 1ohm h TYR 3 Ca -0.17 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.72 1ohm h TYR 3 Cb 0.55 0.12 0.00 0.00 1.54 0.00 0.00 36.73 38.94 1ohm h TYR 3 CO 0.23 -0.14 0.00 0.41 -1.64 0.00 0.00 178.16 177.02 1ohm n GLY 4 N -1.23 0.10 1.40 1.82 0.00 -1.15 -4.83 105.19 101.30 1ohm n GLY 4 Ca -0.04 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.80 4.33 0.00 1.61 3.02 -1.26 -4.80 115.26 117.36 1ohm n ASN 5 Ca 0.00 -2.31 0.00 0.00 -0.03 0.00 0.00 54.58 52.24 1ohm n ASN 5 Cb 0.40 -0.52 0.00 0.00 -0.61 0.00 0.00 39.78 39.05 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 1.14 0.32 3.17 7.41 0.00 -1.26 -4.98 105.19 110.98 1ohm n GLY 6 Ca 0.24 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.15 1ohm n GLY 6 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ohm s VAL 7 N 0.00 0.67 -0.01 1.61 1.01 -1.26 -0.68 120.40 121.74 1ohm s VAL 7 Ca 0.00 -1.93 0.00 0.00 0.00 0.00 0.00 61.98 60.06 1ohm s VAL 7 Cb 0.00 -1.67 0.01 0.00 0.00 0.00 0.00 36.38 34.72 1ohm s VAL 7 CO 0.00 -0.88 -0.00 -1.38 0.00 0.00 0.00 175.10 172.84 1ohm s HIS 8 N -3.63 0.13 -1.25 5.22 -3.43 0.56 -2.92 115.29 109.97 1ohm s HIS 8 Ca 0.12 0.01 -0.09 0.00 -0.80 0.00 0.00 55.06 54.29 1ohm s HIS 8 Cb 0.05 -0.15 0.19 0.00 -1.43 0.00 0.00 32.58 31.24 1ohm s HIS 8 CO -0.05 -0.03 1.81 0.00 -2.00 0.00 0.00 174.74 174.46 1ohm n GLY 10 N 2.63 0.14 0.00 0.00 0.00 -1.26 -3.65 105.19 103.04 1ohm n GLY 10 Ca 0.38 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.47 1ohm n GLY 10 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ohm n LYS 11 N -1.41 0.53 -0.89 1.61 5.02 -1.26 -4.90 118.16 116.85 1ohm n LYS 11 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1ohm n LYS 11 Cb 0.00 -1.45 0.00 0.00 -0.02 0.00 0.00 35.03 33.56 1ohm n LYS 11 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1ohm n HIS 12 N -0.95 0.00 0.25 2.13 8.25 -1.24 -4.86 115.22 118.80 1ohm n HIS 12 Ca 0.11 0.00 0.14 0.00 -0.26 0.00 0.00 57.72 57.72 1ohm n HIS 12 Cb 0.05 -0.60 0.72 0.00 1.12 0.00 0.00 29.99 31.28 1ohm n HIS 12 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1ohm h SER 13 N 0.00 0.00 -5.10 0.41 4.64 -1.89 -3.48 113.55 108.12 1ohm h SER 13 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ohm h SER 13 Cb 0.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 1ohm h SER 13 CO 0.00 0.00 -0.55 0.00 -0.87 0.00 0.00 176.83 175.41 1ohm s THR 15 N -2.32 0.54 0.00 0.00 -4.23 0.03 -4.82 115.64 104.84 1ohm s THR 15 Ca 0.19 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.70 1ohm s THR 15 Cb -0.05 -2.58 0.00 0.00 1.34 0.00 0.00 72.50 71.20 1ohm s THR 15 CO 0.72 0.00 0.00 0.52 -0.54 0.00 0.00 174.62 175.32 1ohm n VAL 16 N -0.57 0.00 0.01 2.29 0.31 -1.26 -0.32 118.33 118.78 1ohm n VAL 16 Ca -0.00 0.00 0.02 0.00 -0.01 0.00 0.00 64.34 64.35 1ohm n VAL 16 Cb 0.66 0.00 -0.10 0.00 -0.91 0.00 0.00 33.84 33.48 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 0.00 0.51 0.32 4.52 2.03 0.14 -4.42 116.55 119.65 1ohm n ASP 17 Ca 0.00 0.22 0.21 0.00 0.52 0.00 0.00 54.79 55.74 1ohm n ASP 17 Cb 0.00 0.76 1.04 0.00 -0.72 0.00 0.00 41.12 42.21 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 0.00 -1.00 -0.67 5.08 -1.30 -3.33 115.95 114.74 1ohm h TRP 18 Ca -0.17 0.00 0.17 0.00 1.08 0.00 0.00 58.89 59.97 1ohm h TRP 18 Cb 1.49 0.00 -0.10 0.00 -3.00 0.00 0.00 29.16 27.55 1ohm h TRP 18 CO 0.00 0.00 0.62 0.78 -1.28 0.00 0.00 178.44 178.56 1ohm h GLY 19 N 0.67 1.67 0.86 11.11 0.00 -1.89 -1.69 103.07 113.81 1ohm h GLY 19 Ca 0.00 -0.37 -0.05 0.00 0.00 0.00 0.00 47.33 46.91 1ohm h GLY 19 CO 0.00 0.02 -0.02 -0.84 0.00 0.00 0.00 176.54 175.70 1ohm h THR 20 N 0.82 1.26 0.47 4.70 2.02 -1.99 -0.82 112.91 119.37 1ohm h THR 20 Ca 0.54 -0.97 -0.01 0.00 0.77 0.00 0.00 66.41 66.75 1ohm h THR 20 Cb 0.78 1.37 -0.02 0.00 -1.74 0.00 0.00 68.15 68.54 1ohm h THR 20 CO -0.33 0.31 -0.38 0.00 0.37 0.00 0.00 175.52 175.48 1ohm h ALA 21 N 0.80 -0.88 -0.04 6.16 0.00 -1.58 -0.17 119.26 123.55 1ohm h ALA 21 Ca 0.07 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 1ohm h ALA 21 Cb 0.45 0.52 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1ohm h ALA 21 CO 0.02 -1.03 -0.26 0.82 0.00 0.00 0.00 179.25 178.80 1ohm h ILE 22 N -0.85 1.21 -0.15 0.00 1.08 -1.56 -2.38 117.51 114.86 1ohm h ILE 22 Ca -0.05 -0.98 -0.02 0.00 -0.39 0.00 0.00 64.86 63.43 1ohm h ILE 22 Cb 0.73 1.47 -0.01 0.00 -3.07 0.00 0.00 36.82 35.94 1ohm h ILE 22 CO -0.01 0.28 0.04 1.23 -0.69 0.00 0.00 178.15 179.00 1ohm h GLY 23 N 0.86 0.26 0.36 5.37 0.00 -0.87 -0.01 103.07 109.04 1ohm h GLY 23 Ca 0.01 -0.17 -0.01 0.00 0.00 0.00 0.00 47.33 47.16 1ohm h GLY 23 CO 0.04 0.16 -0.38 0.00 0.00 0.00 0.00 176.54 176.35 1ohm n ILE 25 N -4.72 -0.17 0.01 0.00 5.41 -0.91 -2.56 119.36 116.41 1ohm n ILE 25 Ca -0.09 1.26 -0.10 0.00 1.00 0.00 0.00 62.75 64.82 1ohm n ILE 25 Cb 0.35 -1.62 -0.03 0.00 -0.71 0.00 0.00 39.64 37.63 1ohm n ILE 25 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 1ohm h GLY 26 N 0.00 -0.13 0.36 7.39 0.00 -0.86 0.08 103.07 109.91 1ohm h GLY 26 Ca 0.04 0.21 -0.02 0.00 0.00 0.00 0.00 47.33 47.56 1ohm h GLY 26 CO -0.24 -0.16 -0.17 -0.57 0.00 0.00 0.00 176.54 175.40 1ohm h ASN 27 N -0.22 -0.41 1.30 0.19 -1.24 -1.41 -2.81 115.58 110.99 1ohm h ASN 27 Ca 0.09 0.01 0.00 0.00 0.71 0.00 0.00 56.30 57.11 1ohm h ASN 27 Cb 0.35 0.11 0.00 0.00 0.73 0.00 0.00 38.32 39.51 1ohm h ASN 27 CO -0.24 -0.28 0.00 -3.20 -1.29 0.00 0.00 177.43 172.42 1ohm n ASN 28 N -3.39 0.58 -0.09 1.15 5.15 -1.06 -2.25 115.26 115.35 1ohm n ASN 28 Ca -0.06 0.56 -0.10 0.00 -0.60 0.00 0.00 54.58 54.37 1ohm n ASN 28 Cb 0.19 -0.71 -0.03 0.00 -0.53 0.00 0.00 39.78 38.70 1ohm n ASN 28 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1ohm h ALA 29 N 2.64 0.35 0.00 5.20 0.00 -1.07 -0.33 119.26 126.06 1ohm h ALA 29 Ca 0.00 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 1ohm h ALA 29 Cb 0.65 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 1ohm h ALA 29 CO 0.00 -0.02 -0.15 0.00 0.00 0.00 0.00 179.25 179.08 1ohm h ALA 30 N 0.92 1.23 -0.05 0.00 0.00 -1.17 0.30 119.26 120.49 1ohm h ALA 30 Ca 0.09 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1ohm h ALA 30 Cb 0.23 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 1ohm h ALA 30 CO -0.00 0.18 -0.00 0.00 0.00 0.00 0.00 179.25 179.43 1ohm h ALA 31 N 1.85 0.06 0.06 0.00 0.00 -1.47 -3.38 119.26 116.39 1ohm h ALA 31 Ca -0.00 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 1ohm h ALA 31 Cb 0.43 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1ohm h ALA 31 CO 0.02 -0.26 -0.03 -0.91 0.00 0.00 0.00 179.25 178.06 1ohm h ASN 32 N -0.22 -0.07 0.00 0.00 2.35 -0.16 -3.50 115.58 113.98 1ohm h ASN 32 Ca 0.01 -0.32 0.00 0.00 -0.55 0.00 0.00 56.30 55.44 1ohm h ASN 32 Cb 0.34 0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.73 1ohm h ASN 32 CO 0.00 0.29 0.00 1.87 -1.65 0.00 0.00 177.43 177.94 1ohm n TRP 33 N -4.96 0.00 0.00 1.19 -0.00 0.96 -4.65 117.44 109.98 1ohm n TRP 33 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.42 1ohm n TRP 33 Cb 0.21 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.52 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 0.00 1.05 -3.18 5.87 0.00 -1.17 -4.33 120.51 118.75 1ohm n ALA 34 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.46 1ohm n ALA 34 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 1ohm n ALA 34 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1ohm s THR 35 N -1.00 -1.00 0.00 0.00 -4.23 -1.26 -4.78 115.64 103.37 1ohm s THR 35 Ca 0.00 -0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.51 1ohm s THR 35 Cb 0.00 -0.49 0.00 0.00 1.34 0.00 0.00 72.50 73.35 1ohm s THR 35 CO 0.00 -0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.69 1ohm n GLY 36 N 4.91 1.32 0.26 3.99 0.00 -1.26 -4.95 105.19 109.46 1ohm n GLY 36 Ca 0.08 -0.03 0.13 0.00 0.00 0.00 0.00 46.02 46.20 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 0.00 -2.58 -0.02 0.00 -1.93 -3.43 103.07 95.11 1ohm h GLY 37 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.26 1ohm h GLY 37 CO 0.00 0.00 -0.17 0.21 0.00 0.00 0.00 176.54 176.58 1ohm s ASN 38 N -4.11 -0.08 0.00 0.19 2.47 -1.26 -5.03 114.94 107.12 1ohm s ASN 38 Ca -0.03 -0.78 0.00 0.00 0.42 0.00 0.00 52.86 52.48 1ohm s ASN 38 Cb 0.07 0.52 0.00 0.00 -1.45 0.00 0.00 41.25 40.39 1ohm s ASN 38 CO 0.22 -1.00 0.43 0.00 -3.72 0.00 0.00 177.10 173.04 1ohm n ALA 39 N -0.29 2.27 -0.13 1.71 0.00 -1.26 -4.45 120.51 118.35 1ohm n ALA 39 Ca -0.07 0.00 0.20 0.00 0.00 0.00 0.00 53.44 53.58 1ohm n ALA 39 Cb 0.63 -1.00 0.61 0.00 0.00 0.00 0.00 19.45 19.68 1ohm n ALA 39 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1ohm h GLY 40 N 4.36 0.38 0.17 0.00 0.00 -1.96 0.25 103.07 106.27 1ohm h GLY 40 Ca 0.00 -0.09 -0.38 0.00 0.00 0.00 0.00 47.33 46.86 1ohm h GLY 40 CO 0.00 0.02 -2.34 -2.67 0.00 0.00 0.00 176.54 171.55 1ohm n TRP 41 N -4.41 0.30 0.00 5.60 2.14 -1.26 -4.80 117.44 115.00 1ohm n TRP 41 Ca 0.15 0.07 0.00 0.00 2.07 0.00 0.00 57.50 59.79 1ohm n TRP 41 Cb 0.67 -1.04 0.00 0.00 -0.81 0.00 0.00 31.31 30.13 1ohm n TRP 41 CO 0.00 0.00 0.00 -1.71 2.07 0.00 0.00 177.69 178.05 1ohm n ASN 42 N -3.23 0.00 -0.34 -0.67 2.85 0.06 -0.47 115.26 113.47 1ohm n ASN 42 Ca -0.40 0.00 0.18 0.00 -0.11 0.00 0.00 54.58 54.25 1ohm n ASN 42 Cb 1.03 0.00 0.35 0.00 1.24 0.00 0.00 39.78 42.40 1ohm n ASN 42 CO 0.00 0.00 0.00 0.07 -2.11 0.00 0.00 177.26 175.22 1ohm h LYS 43 N 0.00 0.02 0.00 1.20 -0.00 -1.82 -3.49 116.57 112.47 1ohm h LYS 43 Ca 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.65 1ohm h LYS 43 Cb 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 32.23 32.23 1ohm h LYS 43 CO 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 179.45 179.46