#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 -1.69 2.13 4.11 -1.26 -5.11 117.16 115.34 1ohm n TYR 2 Ca 0.00 -0.14 -0.42 0.00 -0.00 0.00 0.00 57.90 57.34 1ohm n TYR 2 Cb 0.00 -0.05 -0.03 0.00 -0.00 0.00 0.00 39.34 39.26 1ohm n TYR 2 CO 0.00 0.00 0.00 -0.47 -0.00 0.00 0.00 176.86 176.39 1ohm s TYR 3 N -0.38 1.31 0.00 -3.48 5.04 -1.26 -4.77 117.35 113.82 1ohm s TYR 3 Ca 0.04 -0.08 0.00 0.00 -2.44 0.00 0.00 57.07 54.58 1ohm s TYR 3 Cb 0.03 -4.12 0.00 0.00 0.35 0.00 0.00 41.96 38.22 1ohm s TYR 3 CO 0.00 -4.92 0.18 0.41 -1.34 0.00 0.00 175.55 169.88 1ohm n GLY 4 N 4.90 -0.47 2.54 8.97 0.00 -1.26 -5.05 105.19 114.82 1ohm n GLY 4 Ca 0.23 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.06 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 0.43 0.00 1.61 2.47 -1.26 -5.01 114.94 113.18 1ohm s ASN 5 Ca 0.00 -2.52 0.00 0.00 0.42 0.00 0.00 52.86 50.76 1ohm s ASN 5 Cb 0.00 0.42 0.00 0.00 -1.45 0.00 0.00 41.25 40.22 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 2.97 0.00 3.69 1.21 0.00 -1.26 -4.50 105.19 107.31 1ohm n GLY 6 Ca 0.25 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.44 3.71 -0.35 1.61 3.14 -1.26 -4.53 118.33 120.20 1ohm n VAL 7 Ca 0.00 -0.50 0.00 0.00 -2.96 0.00 0.00 64.34 60.88 1ohm n VAL 7 Cb 0.00 -1.47 0.00 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 -1.20 0.00 -0.40 1.45 8.25 -1.26 -4.61 115.22 117.45 1ohm n HIS 8 Ca 0.11 -0.09 0.00 0.00 -0.26 0.00 0.00 57.72 57.49 1ohm n HIS 8 Cb 0.45 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.55 1ohm n HIS 8 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ohm n GLY 10 N -0.94 -0.54 0.00 0.00 0.00 -1.26 -0.36 105.19 102.09 1ohm n GLY 10 Ca 0.00 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.16 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 0.00 0.00 -0.16 1.61 4.76 -1.26 -2.04 118.16 121.07 1ohm n LYS 11 Ca 0.00 0.22 0.00 0.00 -2.87 0.00 0.00 58.31 55.66 1ohm n LYS 11 Cb 0.00 -1.55 0.01 0.00 -1.84 0.00 0.00 35.03 31.65 1ohm n LYS 11 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 1ohm n HIS 12 N -1.18 0.00 -3.34 2.13 8.25 -1.26 -5.06 115.22 114.77 1ohm n HIS 12 Ca 0.00 -0.08 -0.10 0.00 -0.26 0.00 0.00 57.72 57.28 1ohm n HIS 12 Cb 0.05 -0.03 0.00 0.00 1.12 0.00 0.00 29.99 31.13 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 -0.10 -6.67 0.09 0.41 7.64 -0.87 -4.98 113.62 109.15 1ohm n SER 13 Ca 0.01 -0.43 -0.13 0.00 1.01 0.00 0.00 58.87 59.33 1ohm n SER 13 Cb 0.55 -3.96 -0.08 0.00 -1.01 0.00 0.00 64.21 59.70 1ohm n SER 13 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ohm s THR 15 N -4.63 0.16 -0.35 0.00 2.01 0.51 -4.71 115.64 108.63 1ohm s THR 15 Ca -0.14 -1.38 0.00 0.00 0.31 0.00 0.00 61.69 60.48 1ohm s THR 15 Cb 0.02 -1.42 0.11 0.00 0.01 0.00 0.00 72.50 71.23 1ohm s THR 15 CO 0.59 -0.74 0.14 -0.69 -0.69 0.00 0.00 174.62 173.23 1ohm s VAL 16 N -3.88 1.00 0.17 3.82 1.01 -1.26 -4.06 120.40 117.20 1ohm s VAL 16 Ca 0.06 -1.75 -0.04 0.00 0.00 0.00 0.00 61.98 60.26 1ohm s VAL 16 Cb 0.06 -1.74 -0.09 0.00 0.00 0.00 0.00 36.38 34.60 1ohm s VAL 16 CO -0.10 -0.75 1.44 -0.78 0.00 0.00 0.00 175.10 174.91 1ohm h ASP 17 N 7.65 0.62 0.00 3.32 3.58 -1.79 -3.39 116.42 126.41 1ohm h ASP 17 Ca -0.09 -0.37 0.00 0.00 0.42 0.00 0.00 57.03 56.99 1ohm h ASP 17 Cb 0.99 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 41.86 1ohm h ASP 17 CO 0.46 1.11 0.00 -2.67 -2.88 0.00 0.00 179.24 175.26 1ohm n TRP 18 N -3.90 0.00 0.24 0.28 4.27 -1.26 -4.34 117.44 112.72 1ohm n TRP 18 Ca -0.04 -0.08 0.11 0.00 -3.89 0.00 0.00 57.50 53.60 1ohm n TRP 18 Cb 0.67 -0.09 0.57 0.00 -1.36 0.00 0.00 31.31 31.10 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 2.82 0.00 1.47 -1.67 0.00 -1.99 -1.43 103.07 102.27 1ohm h GLY 19 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.26 1ohm h GLY 19 CO 0.00 0.00 -0.05 -0.84 0.00 0.00 0.00 176.54 175.65 1ohm h THR 20 N 0.00 1.23 0.09 4.70 2.02 -1.96 0.32 112.91 119.32 1ohm h THR 20 Ca -0.00 -0.98 -0.00 0.00 0.77 0.00 0.00 66.41 66.20 1ohm h THR 20 Cb 0.57 0.98 0.00 0.00 -1.74 0.00 0.00 68.15 67.96 1ohm h THR 20 CO 0.03 0.33 -0.04 0.00 0.37 0.00 0.00 175.52 176.20 1ohm h ALA 21 N 1.35 -0.12 0.00 6.16 0.00 -1.62 -0.28 119.26 124.75 1ohm h ALA 21 Ca 0.12 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1ohm h ALA 21 Cb 0.45 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 1ohm h ALA 21 CO 0.02 -0.49 -0.14 -0.84 0.00 0.00 0.00 179.25 177.80 1ohm h ILE 22 N -0.29 0.52 0.59 0.00 3.07 -1.47 -0.77 117.51 119.16 1ohm h ILE 22 Ca -0.01 -0.70 -0.02 0.00 1.55 0.00 0.00 64.86 65.68 1ohm h ILE 22 Cb 0.24 1.47 -0.01 0.00 -0.27 0.00 0.00 36.82 38.25 1ohm h ILE 22 CO 0.02 0.14 -0.40 1.23 -1.05 0.00 0.00 178.15 178.10 1ohm h GLY 23 N 1.25 -1.04 0.00 0.16 0.00 -0.72 -0.57 103.07 102.15 1ohm h GLY 23 Ca -0.00 0.44 0.00 0.00 0.00 0.00 0.00 47.33 47.77 1ohm h GLY 23 CO 0.02 -0.36 0.00 0.00 0.00 0.00 0.00 176.54 176.20 1ohm n ILE 25 N -1.77 -0.41 0.06 0.00 -0.00 -0.35 -2.28 119.36 114.61 1ohm n ILE 25 Ca 0.00 1.70 -0.03 0.00 -0.00 0.00 0.00 62.75 64.43 1ohm n ILE 25 Cb 0.00 -2.21 -0.01 0.00 -0.00 0.00 0.00 39.64 37.41 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 -0.19 1.00 7.39 0.00 -1.06 -1.75 103.07 108.47 1ohm h GLY 26 Ca 0.22 0.07 -0.03 0.00 0.00 0.00 0.00 47.33 47.59 1ohm h GLY 26 CO -0.71 -0.07 0.30 3.43 0.00 0.00 0.00 176.54 179.49 1ohm h ASN 27 N -0.45 0.85 1.70 0.19 4.21 -1.53 -2.51 115.58 118.04 1ohm h ASN 27 Ca -0.02 -0.14 0.00 0.00 1.21 0.00 0.00 56.30 57.35 1ohm h ASN 27 Cb 0.14 -0.22 0.00 0.00 -1.12 0.00 0.00 38.32 37.12 1ohm h ASN 27 CO 0.03 0.76 0.00 -1.13 -1.29 0.00 0.00 177.43 175.80 1ohm h ASN 28 N 0.89 0.00 0.43 5.81 -0.00 -1.60 -2.70 115.58 118.41 1ohm h ASN 28 Ca 0.22 0.00 -0.01 0.00 -0.00 0.00 0.00 56.30 56.51 1ohm h ASN 28 Cb 0.14 0.00 -0.03 0.00 -0.00 0.00 0.00 38.32 38.43 1ohm h ASN 28 CO -0.03 0.00 -0.51 0.00 -0.00 0.00 0.00 177.43 176.90 1ohm h ALA 29 N 2.28 -1.11 0.00 1.57 0.00 -0.87 -1.89 119.26 119.24 1ohm h ALA 29 Ca 0.00 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1ohm h ALA 29 Cb 0.85 0.76 -0.00 0.00 0.00 0.00 0.00 17.79 19.40 1ohm h ALA 29 CO 0.00 -1.17 -0.02 0.00 0.00 0.00 0.00 179.25 178.06 1ohm h ALA 30 N -0.79 1.21 0.00 0.00 0.00 -1.26 0.35 119.26 118.77 1ohm h ALA 30 Ca -0.05 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 1ohm h ALA 30 Cb 0.85 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1ohm h ALA 30 CO -0.11 0.03 -0.37 0.00 0.00 0.00 0.00 179.25 178.80 1ohm h ALA 31 N 1.98 0.95 0.00 0.00 0.00 -1.33 -3.39 119.26 117.46 1ohm h ALA 31 Ca -0.00 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.54 1ohm h ALA 31 Cb 0.12 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1ohm h ALA 31 CO 0.00 0.47 -1.23 0.27 0.00 0.00 0.00 179.25 178.76 1ohm n ASN 32 N -3.47 3.98 0.00 0.00 0.23 0.30 -5.06 115.26 111.25 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 0.53 0.98 0.00 0.00 -2.08 0.00 0.00 39.78 39.21 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 -1.84 0.00 -0.01 -2.53 -0.00 0.98 -3.94 117.44 110.10 1ohm n TRP 33 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.47 1ohm n TRP 33 Cb 0.31 0.00 0.01 0.00 -0.00 0.00 0.00 31.31 31.63 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 2.08 0.00 5.87 0.00 -1.25 -3.88 120.51 123.33 1ohm n ALA 34 Ca 0.00 -0.95 0.00 0.00 0.00 0.00 0.00 53.44 52.49 1ohm n ALA 34 Cb 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 19.45 19.41 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 -0.35 0.00 0.00 0.00 -2.24 -1.26 -4.91 114.28 105.51 1ohm n THR 35 Ca 0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 1ohm n THR 35 Cb 0.23 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.46 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 1.94 0.17 3.38 0.00 -1.26 -4.99 105.19 104.42 1ohm n GLY 36 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 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 -3.45 -0.02 0.00 -1.92 -3.44 103.07 94.24 1ohm h GLY 37 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.25 1ohm h GLY 37 CO 0.00 0.00 -0.19 0.21 0.00 0.00 0.00 176.54 176.56 1ohm s ASN 38 N -4.20 -0.15 0.00 0.19 3.84 -1.26 -5.01 114.94 108.35 1ohm s ASN 38 Ca -0.01 -0.28 0.02 0.00 0.21 0.00 0.00 52.86 52.81 1ohm s ASN 38 Cb 0.07 0.40 0.14 0.00 -0.55 0.00 0.00 41.25 41.32 1ohm s ASN 38 CO 0.27 -0.72 1.09 0.00 -2.79 0.00 0.00 177.10 174.95 1ohm n ALA 39 N 0.19 2.51 0.12 1.71 0.00 -1.26 -4.35 120.51 119.43 1ohm n ALA 39 Ca -0.17 -0.03 0.07 0.00 0.00 0.00 0.00 53.44 53.31 1ohm n ALA 39 Cb 0.61 -1.04 0.37 0.00 0.00 0.00 0.00 19.45 19.40 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 0.55 -0.68 0.17 0.00 0.00 -1.26 -0.78 105.19 103.18 1ohm n GLY 40 Ca 0.02 0.13 -0.15 0.00 0.00 0.00 0.00 46.02 46.01 1ohm n GLY 40 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 1ohm n TRP 41 N -1.99 0.00 0.00 1.61 2.14 -1.26 -4.86 117.44 113.08 1ohm n TRP 41 Ca -0.01 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.56 1ohm n TRP 41 Cb 0.14 -0.73 0.00 0.00 -0.81 0.00 0.00 31.31 29.91 1ohm n TRP 41 CO 0.00 0.00 0.00 0.09 2.07 0.00 0.00 177.69 179.85 1ohm n ASN 42 N -3.28 0.00 -0.17 -0.67 3.02 0.04 0.48 115.26 114.68 1ohm n ASN 42 Ca -0.35 0.07 -0.05 0.00 -0.03 0.00 0.00 54.58 54.22 1ohm n ASN 42 Cb 0.84 -0.07 -0.04 0.00 -0.61 0.00 0.00 39.78 39.89 1ohm n ASN 42 CO 0.00 0.00 0.00 0.07 -2.62 0.00 0.00 177.26 174.71 1ohm h LYS 43 N 0.00 -0.01 0.00 3.52 -0.00 -1.83 -3.50 116.57 114.74 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 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 32.31 1ohm h LYS 43 CO 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 179.45 179.44