#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k6l s ASN 2 N 0.00 5.17 0.38 7.83 3.84 -1.26 -5.07 114.94 125.83 2k6l s ASN 2 Ca 0.00 -0.68 -0.25 0.00 0.21 0.00 0.00 52.86 52.15 2k6l s ASN 2 Cb 0.00 0.00 -0.09 0.00 -0.55 0.00 0.00 41.25 40.61 2k6l s ASN 2 CO 0.00 -1.24 1.05 0.42 -2.79 0.00 0.00 177.10 174.54 2k6l s THR 3 N -2.64 3.71 0.13 -5.21 -4.23 -1.26 -5.04 115.64 101.10 2k6l s THR 3 Ca 0.60 1.36 -0.02 0.00 -1.18 0.00 0.00 61.69 62.45 2k6l s THR 3 Cb -0.07 -3.73 -0.05 0.00 1.34 0.00 0.00 72.50 70.00 2k6l s THR 3 CO 0.38 0.06 0.32 -0.69 -0.54 0.00 0.00 174.62 174.14 2k6l s VAL 4 N -1.60 5.26 -0.18 2.29 1.01 -1.26 -5.06 120.40 120.87 2k6l s VAL 4 Ca 0.56 -0.22 -0.26 0.00 0.00 0.00 0.00 61.98 62.06 2k6l s VAL 4 Cb -0.23 -3.65 -0.01 0.00 0.00 0.00 0.00 36.38 32.49 2k6l s VAL 4 CO 0.29 0.03 0.86 -0.13 0.00 0.00 0.00 175.10 176.15 2k6l s ARG 5 N -2.76 4.29 -0.17 2.72 0.52 -1.26 -5.03 118.95 117.26 2k6l s ARG 5 Ca 0.38 1.07 -0.01 0.00 -0.52 0.00 0.00 55.73 56.65 2k6l s ARG 5 Cb -0.12 -3.58 0.04 0.00 0.52 0.00 0.00 34.95 31.81 2k6l s ARG 5 CO 0.27 -0.37 -0.05 -0.46 0.02 0.00 0.00 175.30 174.71 2k6l s TRP 6 N 2.29 1.71 -0.28 -0.53 -0.00 -1.26 -5.10 118.94 115.76 2k6l s TRP 6 Ca 0.39 -1.12 -0.09 0.00 -0.00 0.00 0.00 56.10 55.28 2k6l s TRP 6 Cb -0.16 -1.32 -0.02 0.00 -0.00 0.00 0.00 33.47 31.97 2k6l s TRP 6 CO 0.12 -0.63 0.12 0.54 -0.00 0.00 0.00 176.95 177.10 2k6l s ASN 7 N 1.63 5.44 0.07 5.86 4.22 -1.26 -5.08 114.94 125.83 2k6l s ASN 7 Ca 0.00 -0.33 0.01 0.00 -2.14 0.00 0.00 52.86 50.40 2k6l s ASN 7 Cb -0.16 -1.99 -0.04 0.00 1.28 0.00 0.00 41.25 40.35 2k6l s ASN 7 CO -0.08 -0.11 -0.06 0.27 -2.04 0.00 0.00 177.10 175.09 2k6l s ILE 8 N 1.63 0.52 -0.22 0.54 -4.36 -1.26 -5.14 121.20 112.92 2k6l s ILE 8 Ca 0.06 -1.75 -0.10 0.00 -0.26 0.00 0.00 60.65 58.60 2k6l s ILE 8 Cb -0.16 -1.44 -0.05 0.00 1.25 0.00 0.00 42.46 42.06 2k6l s ILE 8 CO 0.06 -0.83 0.14 0.00 0.24 0.00 0.00 174.94 174.55 2k6l s ALA 9 N -3.33 3.64 0.16 2.27 0.00 -1.26 -5.08 121.76 118.16 2k6l s ALA 9 Ca 0.07 -0.79 0.01 0.00 0.00 0.00 0.00 51.96 51.25 2k6l s ALA 9 Cb 0.03 -2.23 -0.04 0.00 0.00 0.00 0.00 23.12 20.88 2k6l s ALA 9 CO -0.05 -0.01 0.01 0.14 0.00 0.00 0.00 175.76 175.85 2k6l s VAL 10 N 0.70 0.55 0.05 0.00 -7.23 -1.26 -5.12 120.40 108.09 2k6l s VAL 10 Ca 0.08 -1.96 -0.30 0.00 -1.81 0.00 0.00 61.98 57.98 2k6l s VAL 10 Cb -0.12 -2.10 -0.05 0.00 0.56 0.00 0.00 36.38 34.67 2k6l s VAL 10 CO 0.01 -0.47 1.07 -0.44 -0.31 0.00 0.00 175.10 174.96 2k6l s SER 11 N -3.15 7.27 0.34 4.85 0.01 -1.26 -4.85 113.70 116.91 2k6l s SER 11 Ca 0.24 1.85 0.07 0.00 1.31 0.00 0.00 55.95 59.41 2k6l s SER 11 Cb 0.06 -2.58 0.36 0.00 0.21 0.00 0.00 66.02 64.08 2k6l s SER 11 CO 0.03 -0.31 1.03 1.55 0.41 0.00 0.00 173.24 175.96 2k6l h PRO 12 N 6.47 0.00 0.00 12.44 0.13 -2.02 0.67 132.00 149.68 2k6l h PRO 12 Ca -0.42 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.59 2k6l h PRO 12 Cb 1.22 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.33 2k6l h PRO 12 CO 0.76 0.00 -0.56 -0.44 -0.23 0.00 0.00 178.00 177.54 2k6l h ASP 13 N 0.00 0.00 0.57 1.44 5.19 -2.01 -3.18 116.42 118.42 2k6l h ASP 13 Ca 0.00 0.00 -0.21 0.00 -0.62 0.00 0.00 57.03 56.20 2k6l h ASP 13 Cb 1.08 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.58 2k6l h ASP 13 CO 0.00 0.56 -0.91 -0.37 -3.12 0.00 0.00 179.24 175.40 2k6l h VAL 14 N 0.00 1.49 -0.05 -1.35 -1.51 -0.01 -3.04 116.25 111.78 2k6l h VAL 14 Ca -0.01 -2.66 -0.00 0.00 -1.23 0.00 0.00 66.70 62.80 2k6l h VAL 14 Cb 1.14 2.50 -0.00 0.00 -2.13 0.00 0.00 31.29 32.80 2k6l h VAL 14 CO 0.07 0.78 0.01 -0.78 -1.23 0.00 0.00 177.57 176.42 2k6l h ASP 15 N 0.12 0.07 -0.93 4.19 3.58 -1.63 -0.82 116.42 120.99 2k6l h ASP 15 Ca -0.05 -0.23 0.04 0.00 0.42 0.00 0.00 57.03 57.20 2k6l h ASP 15 Cb 1.55 -0.02 -0.05 0.00 1.72 0.00 0.00 39.33 42.53 2k6l h ASP 15 CO 0.14 0.29 0.61 1.56 -2.88 0.00 0.00 179.24 178.95 2k6l h GLN 16 N -0.15 1.12 -0.28 0.28 4.20 -1.63 -1.41 115.11 117.25 2k6l h GLN 16 Ca 0.01 -0.07 -0.15 0.00 0.06 0.00 0.00 58.65 58.51 2k6l h GLN 16 Cb 0.24 -0.25 -0.01 0.00 0.30 0.00 0.00 27.48 27.76 2k6l h GLN 16 CO 0.00 0.74 -0.43 0.77 -0.67 0.00 0.00 178.83 179.24 2k6l h SER 17 N 1.16 0.76 -0.26 1.46 0.02 -1.39 -2.07 113.55 113.22 2k6l h SER 17 Ca 0.37 -0.36 -0.05 0.00 -0.84 0.00 0.00 61.79 60.92 2k6l h SER 17 Cb 0.02 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.34 2k6l h SER 17 CO -0.11 1.08 -0.02 0.58 -1.14 0.00 0.00 176.83 177.22 2k6l h VAL 18 N 0.57 1.26 -0.24 2.27 2.07 -0.44 -0.91 116.25 120.83 2k6l h VAL 18 Ca 0.04 -0.96 -0.04 0.00 0.82 0.00 0.00 66.70 66.56 2k6l h VAL 18 Cb 0.98 1.37 -0.01 0.00 -1.52 0.00 0.00 31.29 32.12 2k6l h VAL 18 CO 0.09 0.30 -0.02 0.03 0.02 0.00 0.00 177.57 177.99 2k6l h ARG 19 N 0.24 0.44 -0.92 1.57 2.47 -1.29 -2.79 114.38 114.10 2k6l h ARG 19 Ca 0.07 -0.15 -0.01 0.00 -1.26 0.00 0.00 59.98 58.63 2k6l h ARG 19 Cb 0.45 -0.03 -0.04 0.00 -1.65 0.00 0.00 29.97 28.69 2k6l h ARG 19 CO 0.02 0.64 0.52 0.52 0.56 0.00 0.00 179.97 182.23 2k6l h MET 20 N 0.21 1.28 -0.08 0.04 2.86 -1.36 -2.33 114.93 115.54 2k6l h MET 20 Ca 0.07 -0.14 0.02 0.00 -2.06 0.00 0.00 59.70 57.59 2k6l h MET 20 Cb 0.45 -0.26 -0.02 0.00 0.06 0.00 0.00 31.60 31.83 2k6l h MET 20 CO 0.02 0.92 -0.05 0.35 1.06 0.00 0.00 176.91 179.20 2k6l h PHE 21 N 1.29 -0.12 -0.57 -0.22 3.04 -1.02 -2.16 116.94 117.17 2k6l h PHE 21 Ca 0.33 0.01 -0.03 0.00 3.98 0.00 0.00 57.97 62.25 2k6l h PHE 21 Cb 0.00 0.07 -0.03 0.00 2.56 0.00 0.00 35.95 38.55 2k6l h PHE 21 CO 0.01 -0.08 0.23 -0.84 -2.02 0.00 0.00 178.31 175.60 2k6l h ILE 22 N -0.06 1.21 -0.36 1.41 3.07 -1.29 -1.27 117.51 120.23 2k6l h ILE 22 Ca 0.05 -0.65 0.04 0.00 1.55 0.00 0.00 64.86 65.86 2k6l h ILE 22 Cb 0.13 0.53 -0.02 0.00 -0.27 0.00 0.00 36.82 37.19 2k6l h ILE 22 CO -0.11 0.26 0.24 0.00 -1.05 0.00 0.00 178.15 177.48 2k6l h ALA 23 N 1.43 1.96 -0.01 0.16 0.00 -0.85 0.56 119.26 122.50 2k6l h ALA 23 Ca 0.19 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.90 2k6l h ALA 23 Cb 0.16 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2k6l h ALA 23 CO -0.02 -0.01 -0.84 0.00 0.00 0.00 0.00 179.25 178.38 2k6l h ALA 24 N 1.80 0.55 -0.43 0.00 0.00 -0.70 -3.02 119.26 117.46 2k6l h ALA 24 Ca 0.15 -0.70 0.00 0.00 0.00 0.00 0.00 54.91 54.36 2k6l h ALA 24 Cb 0.23 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2k6l h ALA 24 CO -0.03 0.89 0.00 0.94 0.00 0.00 0.00 179.25 181.04 2k6l n GLN 25 N -3.69 3.57 -0.86 0.00 7.27 -0.07 -4.97 117.38 118.62 2k6l n GLN 25 Ca -0.04 -2.20 -0.40 0.00 0.07 0.00 0.00 57.00 54.43 2k6l n GLN 25 Cb 0.78 -1.96 -0.08 0.00 2.41 0.00 0.00 30.24 31.39 2k6l n GLN 25 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2k6l n GLY 26 N 0.57 -0.08 0.00 1.69 0.00 -0.01 -3.77 105.19 103.60 2k6l n GLY 26 Ca 0.20 0.74 0.00 0.00 0.00 0.00 0.00 46.02 46.95 2k6l n GLY 26 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k6l n GLY 27 N 4.75 0.53 3.70 -0.02 0.00 -1.26 -5.11 105.19 107.77 2k6l n GLY 27 Ca 0.35 -0.02 -0.36 0.00 0.00 0.00 0.00 46.02 45.99 2k6l n GLY 27 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k6l n GLY 28 N 0.00 0.20 0.00 -0.02 0.00 -1.25 -5.01 105.19 99.12 2k6l n GLY 28 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.73 2k6l n GLY 28 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k6l n ARG 29 N -2.34 3.39 0.00 1.61 1.74 -1.26 -5.00 116.66 114.80 2k6l n ARG 29 Ca 0.15 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.23 2k6l n ARG 29 Cb 0.49 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.93 2k6l n ARG 29 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2k6l n LYS 30 N 0.00 1.14 -1.96 5.56 4.76 -1.26 -4.85 118.16 121.55 2k6l n LYS 30 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 2k6l n LYS 30 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 2k6l n LYS 30 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2k6l n GLY 31 N 0.00 -5.23 0.00 0.72 0.00 -1.26 -4.97 105.19 94.45 2k6l n GLY 31 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.69 2k6l n GLY 31 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2k6l n ASP 32 N 1.22 0.00 0.01 1.61 5.75 -1.26 -4.68 116.55 119.19 2k6l n ASP 32 Ca 0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 54.79 54.65 2k6l n ASP 32 Cb 0.00 0.00 -0.10 0.00 -1.03 0.00 0.00 41.12 39.99 2k6l n ASP 32 CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 2k6l h LEU 33 N 0.00 -0.04 -1.23 -2.12 6.46 -1.97 -2.70 115.31 113.72 2k6l h LEU 33 Ca 0.00 -0.44 0.13 0.00 -0.12 0.00 0.00 57.88 57.45 2k6l h LEU 33 Cb 0.00 0.01 -0.07 0.00 -0.73 0.00 0.00 40.66 39.87 2k6l h LEU 33 CO 0.00 0.42 0.58 0.28 -0.62 0.00 0.00 178.44 179.10 2k6l h SER 34 N -0.51 0.72 -0.27 1.25 0.02 -2.01 -1.59 113.55 111.17 2k6l h SER 34 Ca -0.00 0.04 -0.16 0.00 -0.84 0.00 0.00 61.79 60.82 2k6l h SER 34 Cb 0.47 -0.11 -0.00 0.00 0.14 0.00 0.00 62.40 62.90 2k6l h SER 34 CO 0.01 0.38 -0.45 -0.09 -1.14 0.00 0.00 176.83 175.54 2k6l h ARG 35 N 0.77 0.84 -0.20 3.45 9.65 -1.82 -1.87 114.38 125.20 2k6l h ARG 35 Ca 0.45 -0.47 0.04 0.00 -1.10 0.00 0.00 59.98 58.90 2k6l h ARG 35 Cb 0.63 0.03 -0.04 0.00 -1.39 0.00 0.00 29.97 29.20 2k6l h ARG 35 CO -0.21 1.11 -0.06 0.35 2.80 0.00 0.00 179.97 183.96 2k6l h PHE 36 N 0.67 -0.14 -0.14 2.20 3.57 -0.94 -1.44 116.94 120.71 2k6l h PHE 36 Ca 0.04 0.02 -0.20 0.00 3.53 0.00 0.00 57.97 61.36 2k6l h PHE 36 Cb 1.03 0.09 0.00 0.00 2.79 0.00 0.00 35.95 39.87 2k6l h PHE 36 CO 0.06 -0.11 -0.71 0.97 -2.23 0.00 0.00 178.31 176.29 2k6l h ILE 37 N -0.03 1.32 -0.28 1.41 2.10 -1.55 -2.65 117.51 117.84 2k6l h ILE 37 Ca 0.10 -1.99 0.04 0.00 1.08 0.00 0.00 64.86 64.08 2k6l h ILE 37 Cb 0.17 1.97 -0.03 0.00 -1.09 0.00 0.00 36.82 37.84 2k6l h ILE 37 CO -0.22 0.62 0.07 -0.33 -1.08 0.00 0.00 178.15 177.21 2k6l h GLU 38 N 0.44 0.18 -0.05 2.19 5.08 -0.97 -1.08 114.58 120.37 2k6l h GLU 38 Ca -0.03 -0.01 -0.12 0.00 -1.00 0.00 0.00 59.36 58.20 2k6l h GLU 38 Cb 1.31 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.50 2k6l h GLU 38 CO 0.14 0.12 -0.53 0.22 -1.00 0.00 0.00 179.01 177.96 2k6l h ASP 39 N 0.18 0.15 -0.27 1.42 1.82 -1.32 -2.70 116.42 115.69 2k6l h ASP 39 Ca 0.13 -0.08 -0.03 0.00 -0.39 0.00 0.00 57.03 56.66 2k6l h ASP 39 Cb 0.12 -0.04 -0.01 0.00 0.68 0.00 0.00 39.33 40.07 2k6l h ASP 39 CO -0.15 0.65 0.06 0.00 -1.61 0.00 0.00 179.24 178.19 2k6l h ALA 40 N 1.35 0.36 -0.16 -0.78 0.00 -0.99 -2.92 119.26 116.12 2k6l h ALA 40 Ca 0.00 -0.17 -0.14 0.00 0.00 0.00 0.00 54.91 54.60 2k6l h ALA 40 Cb 0.97 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 2k6l h ALA 40 CO 0.08 0.03 -0.49 -0.39 0.00 0.00 0.00 179.25 178.47 2k6l h VAL 41 N 0.27 1.33 -0.75 0.00 -1.51 -1.21 -3.13 116.25 111.25 2k6l h VAL 41 Ca 0.09 -1.71 0.03 0.00 -1.23 0.00 0.00 66.70 63.88 2k6l h VAL 41 Cb 0.30 1.73 -0.05 0.00 -2.13 0.00 0.00 31.29 31.15 2k6l h VAL 41 CO 0.00 0.52 0.47 0.03 -1.23 0.00 0.00 177.57 177.37 2k6l h ARG 42 N 0.34 0.89 -0.37 5.19 2.47 -1.37 -1.25 114.38 120.28 2k6l h ARG 42 Ca 0.02 -0.05 -0.09 0.00 -1.26 0.00 0.00 59.98 58.60 2k6l h ARG 42 Cb 0.98 -0.20 -0.02 0.00 -1.65 0.00 0.00 29.97 29.08 2k6l h ARG 42 CO 0.09 0.59 -0.13 0.00 0.56 0.00 0.00 179.97 181.07 2k6l h ALA 43 N 1.32 1.08 -0.03 0.04 0.00 -1.47 -2.09 119.26 118.11 2k6l h ALA 43 Ca 0.30 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2k6l h ALA 43 Cb 0.03 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 2k6l h ALA 43 CO -0.12 0.57 -0.03 1.88 0.00 0.00 0.00 179.25 181.55 2k6l h TYR 44 N 0.60 0.10 -0.12 0.00 0.05 -1.36 -2.81 116.97 113.43 2k6l h TYR 44 Ca 0.10 -0.03 -0.03 0.00 0.05 0.00 0.00 58.73 58.82 2k6l h TYR 44 Cb 0.57 -0.02 -0.01 0.00 1.01 0.00 0.00 36.73 38.28 2k6l h TYR 44 CO 0.02 0.54 -0.06 -0.07 -1.05 0.00 0.00 178.16 177.55 2k6l h LEU 45 N -0.38 0.16 -0.23 3.88 3.38 -1.22 -2.76 115.31 118.13 2k6l h LEU 45 Ca 0.01 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.90 2k6l h LEU 45 Cb 0.53 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 2k6l h LEU 45 CO 0.01 0.25 -0.07 0.15 0.09 0.00 0.00 178.44 178.87 2k6l h PHE 46 N 0.17 0.52 -0.67 1.13 3.04 -1.32 -1.58 116.94 118.22 2k6l h PHE 46 Ca 0.04 -0.12 -0.01 0.00 3.98 0.00 0.00 57.97 61.86 2k6l h PHE 46 Cb 0.22 -0.13 -0.03 0.00 2.56 0.00 0.00 35.95 38.58 2k6l h PHE 46 CO 0.00 0.70 0.37 1.49 -2.02 0.00 0.00 178.31 178.85 2k6l h GLU 47 N 0.19 0.94 0.00 1.11 4.22 -1.23 -2.28 114.58 117.54 2k6l h GLU 47 Ca 0.06 -0.11 -0.06 0.00 0.08 0.00 0.00 59.36 59.33 2k6l h GLU 47 Cb 0.54 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 2k6l h GLU 47 CO 0.03 0.71 -0.27 0.00 -2.18 0.00 0.00 179.01 177.29 2k6l h ARG 48 N 0.92 0.00 -0.61 1.92 3.08 -1.47 -3.15 114.38 115.07 2k6l h ARG 48 Ca 0.24 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.27 2k6l h ARG 48 Cb 0.05 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.07 2k6l h ARG 48 CO -0.04 0.27 0.33 0.00 -1.07 0.00 0.00 179.97 179.47 2k6l h ALA 49 N 1.73 0.78 0.00 0.04 0.00 -0.67 -2.33 119.26 118.81 2k6l h ALA 49 Ca -0.00 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.71 2k6l h ALA 49 Cb 0.83 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 2k6l h ALA 49 CO 0.04 0.30 -0.46 -0.24 0.00 0.00 0.00 179.25 178.89 2k6l h VAL 50 N 0.83 1.26 0.00 0.00 3.04 -1.50 -3.52 116.25 116.36 2k6l h VAL 50 Ca 0.21 -1.60 0.00 0.00 -1.01 0.00 0.00 66.70 64.31 2k6l h VAL 50 Cb 0.05 1.88 0.00 0.00 -2.01 0.00 0.00 31.29 31.20 2k6l h VAL 50 CO -0.03 0.45 0.00 1.21 -1.01 0.00 0.00 177.57 178.18