#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 1.02 0.61 7.83 3.84 -1.26 -5.13 114.94 121.85 2k6l s ASN 2 Ca 0.00 0.16 -0.19 0.00 0.21 0.00 0.00 52.86 53.04 2k6l s ASN 2 Cb 0.00 0.08 -0.04 0.00 -0.55 0.00 0.00 41.25 40.75 2k6l s ASN 2 CO 0.00 -0.26 1.14 0.35 -2.79 0.00 0.00 177.10 175.54 2k6l n THR 3 N 5.31 4.15 -3.89 -5.21 -2.24 -1.26 -4.99 114.28 106.15 2k6l n THR 3 Ca -0.04 -0.50 -0.31 0.00 -2.27 0.00 0.00 64.05 60.92 2k6l n THR 3 Cb 0.50 -1.34 -0.04 0.00 -2.10 0.00 0.00 70.33 67.34 2k6l n THR 3 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2k6l s VAL 4 N -1.43 5.37 -0.41 2.28 1.01 -1.26 -5.06 120.40 120.91 2k6l s VAL 4 Ca 0.77 -0.31 -0.21 0.00 0.00 0.00 0.00 61.98 62.24 2k6l s VAL 4 Cb -0.41 -3.62 0.02 0.00 0.00 0.00 0.00 36.38 32.37 2k6l s VAL 4 CO 0.45 0.16 0.66 -0.13 0.00 0.00 0.00 175.10 176.24 2k6l s ARG 5 N -2.42 3.45 -0.04 2.72 0.52 -1.26 -5.04 118.95 116.88 2k6l s ARG 5 Ca 0.34 -0.17 -0.15 0.00 -0.52 0.00 0.00 55.73 55.23 2k6l s ARG 5 Cb -0.13 -3.89 -0.05 0.00 0.52 0.00 0.00 34.95 31.40 2k6l s ARG 5 CO 0.26 -0.91 0.40 -1.58 0.02 0.00 0.00 175.30 173.48 2k6l s TRP 6 N 2.83 3.67 -0.21 -0.53 0.52 -1.26 -5.07 118.94 118.90 2k6l s TRP 6 Ca 0.24 0.92 0.00 0.00 0.02 0.00 0.00 56.10 57.29 2k6l s TRP 6 Cb -0.14 -2.32 0.05 0.00 -1.15 0.00 0.00 33.47 29.92 2k6l s TRP 6 CO 0.18 0.55 -0.06 -0.80 0.02 0.00 0.00 176.95 176.83 2k6l s ASN 7 N -0.70 3.50 0.00 2.95 0.02 -1.26 -5.12 114.94 114.33 2k6l s ASN 7 Ca 0.23 -0.99 -0.03 0.00 -1.02 0.00 0.00 52.86 51.06 2k6l s ASN 7 Cb -0.16 -1.12 -0.01 0.00 0.02 0.00 0.00 41.25 39.98 2k6l s ASN 7 CO 0.12 -0.20 0.04 0.27 0.02 0.00 0.00 177.10 177.35 2k6l s ILE 8 N 1.46 0.07 -0.11 0.60 -4.36 -1.26 -5.15 121.20 112.45 2k6l s ILE 8 Ca -0.03 -0.58 -0.03 0.00 -0.26 0.00 0.00 60.65 59.74 2k6l s ILE 8 Cb -0.17 -0.26 -0.03 0.00 1.25 0.00 0.00 42.46 43.24 2k6l s ILE 8 CO -0.07 -0.32 0.02 0.00 0.24 0.00 0.00 174.94 174.80 2k6l s ALA 9 N -1.00 3.31 0.13 2.27 0.00 -1.26 -5.11 121.76 120.11 2k6l s ALA 9 Ca -0.11 -0.78 -0.03 0.00 0.00 0.00 0.00 51.96 51.04 2k6l s ALA 9 Cb -0.07 -1.60 -0.03 0.00 0.00 0.00 0.00 23.12 21.42 2k6l s ALA 9 CO 0.00 0.48 0.09 0.14 0.00 0.00 0.00 175.76 176.47 2k6l s VAL 10 N -0.53 0.10 0.34 0.00 -7.23 -1.26 -5.13 120.40 106.68 2k6l s VAL 10 Ca 0.09 -1.80 -0.27 0.00 -1.81 0.00 0.00 61.98 58.19 2k6l s VAL 10 Cb -0.12 -1.98 -0.09 0.00 0.56 0.00 0.00 36.38 34.75 2k6l s VAL 10 CO 0.02 -0.46 1.14 -0.94 -0.31 0.00 0.00 175.10 174.55 2k6l s SER 11 N -3.03 6.90 0.26 4.85 1.04 -1.26 -4.86 113.70 117.61 2k6l s SER 11 Ca 0.22 2.30 0.13 0.00 0.48 0.00 0.00 55.95 59.08 2k6l s SER 11 Cb 0.07 -2.62 0.69 0.00 0.10 0.00 0.00 66.02 64.26 2k6l s SER 11 CO 0.01 -0.41 1.30 -0.81 0.98 0.00 0.00 173.24 174.31 2k6l n PRO 12 N 0.60 0.08 0.17 4.02 -0.04 -1.26 -0.13 135.00 138.44 2k6l n PRO 12 Ca 0.02 0.54 0.03 0.00 -0.04 0.00 0.00 63.50 64.05 2k6l n PRO 12 Cb 0.46 -1.97 0.27 0.00 -0.04 0.00 0.00 33.50 32.22 2k6l n PRO 12 CO 0.00 0.00 0.00 0.38 -0.04 0.00 0.00 175.50 175.84 2k6l h ASP 13 N 0.00 0.00 -0.08 3.54 3.04 -2.01 -3.04 116.42 117.88 2k6l h ASP 13 Ca 0.00 0.00 -0.16 0.00 -3.24 0.00 0.00 57.03 53.63 2k6l h ASP 13 Cb 0.39 0.00 0.01 0.00 -1.04 0.00 0.00 39.33 38.69 2k6l h ASP 13 CO 0.00 0.46 -0.59 -0.37 -2.04 0.00 0.00 179.24 176.70 2k6l h VAL 14 N 0.00 1.36 -0.15 4.15 -1.51 -0.89 -2.85 116.25 116.37 2k6l h VAL 14 Ca -0.00 -1.92 -0.00 0.00 -1.23 0.00 0.00 66.70 63.54 2k6l h VAL 14 Cb 0.97 2.28 -0.01 0.00 -2.13 0.00 0.00 31.29 32.40 2k6l h VAL 14 CO 0.06 0.58 0.09 -0.78 -1.23 0.00 0.00 177.57 176.28 2k6l h ASP 15 N 0.13 0.18 -0.79 4.19 3.58 -1.63 -1.32 116.42 120.75 2k6l h ASP 15 Ca -0.05 -0.06 0.06 0.00 0.42 0.00 0.00 57.03 57.40 2k6l h ASP 15 Cb 1.25 -0.04 -0.06 0.00 1.72 0.00 0.00 39.33 42.19 2k6l h ASP 15 CO 0.12 0.18 0.48 -0.61 -2.88 0.00 0.00 179.24 176.53 2k6l h GLN 16 N 0.16 0.86 -0.61 0.28 5.75 -1.60 -1.50 115.11 118.44 2k6l h GLN 16 Ca 0.05 -0.05 -0.07 0.00 -0.15 0.00 0.00 58.65 58.43 2k6l h GLN 16 Cb 0.04 -0.19 -0.03 0.00 1.07 0.00 0.00 27.48 28.37 2k6l h GLN 16 CO -0.01 0.57 0.12 0.66 -2.65 0.00 0.00 178.83 177.51 2k6l h SER 17 N 0.88 0.92 -0.26 -0.69 4.64 -1.22 -1.26 113.55 116.56 2k6l h SER 17 Ca 0.35 -0.19 -0.00 0.00 -0.47 0.00 0.00 61.79 61.47 2k6l h SER 17 Cb 0.16 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 62.00 2k6l h SER 17 CO -0.17 0.91 0.15 0.58 -0.87 0.00 0.00 176.83 177.43 2k6l h VAL 18 N 0.92 1.11 -0.04 0.95 2.07 -0.25 -1.98 116.25 119.03 2k6l h VAL 18 Ca 0.19 -0.29 -0.09 0.00 0.82 0.00 0.00 66.70 67.34 2k6l h VAL 18 Cb 0.38 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 2k6l h VAL 18 CO 0.01 0.11 -0.38 -0.09 0.02 0.00 0.00 177.57 177.23 2k6l h ARG 19 N 0.31 0.08 -0.52 1.57 2.43 -1.22 -2.91 114.38 114.13 2k6l h ARG 19 Ca 0.09 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.19 2k6l h ARG 19 Cb 0.05 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.57 2k6l h ARG 19 CO -0.02 0.46 0.18 0.52 -1.51 0.00 0.00 179.97 179.60 2k6l h MET 20 N 0.07 0.80 -0.09 0.20 2.86 -0.70 -1.17 114.93 116.91 2k6l h MET 20 Ca 0.01 -0.16 0.02 0.00 -2.06 0.00 0.00 59.70 57.50 2k6l h MET 20 Cb 0.71 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 32.23 2k6l h MET 20 CO 0.05 0.73 -0.04 0.35 1.06 0.00 0.00 176.91 179.06 2k6l h PHE 21 N 0.71 -0.09 -0.53 -0.22 3.57 -1.18 -2.05 116.94 117.16 2k6l h PHE 21 Ca 0.17 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.61 2k6l h PHE 21 Cb 0.25 0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.03 2k6l h PHE 21 CO 0.01 -0.07 0.05 -0.84 -2.23 0.00 0.00 178.31 175.24 2k6l h ILE 22 N -0.03 1.26 -0.92 1.41 3.07 -1.50 -2.30 117.51 118.50 2k6l h ILE 22 Ca 0.05 -1.01 0.11 0.00 1.55 0.00 0.00 64.86 65.56 2k6l h ILE 22 Cb 0.10 0.88 -0.07 0.00 -0.27 0.00 0.00 36.82 37.47 2k6l h ILE 22 CO -0.11 0.36 0.59 0.00 -1.05 0.00 0.00 178.15 177.94 2k6l h ALA 23 N 0.97 1.65 0.00 0.16 0.00 -0.92 1.59 119.26 122.72 2k6l h ALA 23 Ca 0.16 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.97 2k6l h ALA 23 Cb 0.46 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2k6l h ALA 23 CO 0.02 0.14 -0.47 0.00 0.00 0.00 0.00 179.25 178.94 2k6l h ALA 24 N 1.56 0.88 -0.02 0.00 0.00 -1.10 -3.00 119.26 117.58 2k6l h ALA 24 Ca 0.44 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2k6l h ALA 24 Cb 0.49 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2k6l h ALA 24 CO -0.20 0.59 -0.20 1.04 0.00 0.00 0.00 179.25 180.48 2k6l n GLN 25 N -3.49 1.75 0.00 0.00 1.13 0.57 -5.02 117.38 112.32 2k6l n GLN 25 Ca 0.00 -1.40 0.00 0.00 -1.94 0.00 0.00 57.00 53.66 2k6l n GLN 25 Cb 0.59 -1.47 0.00 0.00 0.11 0.00 0.00 30.24 29.47 2k6l n GLN 25 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2k6l n GLY 26 N 1.36 -0.81 0.00 1.08 0.00 0.51 -5.01 105.19 102.33 2k6l n GLY 26 Ca 0.12 0.34 0.00 0.00 0.00 0.00 0.00 46.02 46.48 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 0.00 0.25 2.20 -0.02 0.00 -1.19 -4.34 105.19 102.09 2k6l n GLY 27 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 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 3.12 3.91 -0.02 0.00 -1.26 -4.97 105.19 105.97 2k6l n GLY 28 Ca 0.00 -1.63 -0.28 0.00 0.00 0.00 0.00 46.02 44.11 2k6l n GLY 28 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2k6l s ARG 29 N -1.57 2.59 0.00 1.61 3.03 -1.26 -5.04 118.95 118.31 2k6l s ARG 29 Ca 0.37 0.06 0.00 0.00 2.03 0.00 0.00 55.73 58.19 2k6l s ARG 29 Cb 0.22 -2.14 0.00 0.00 -1.03 0.00 0.00 34.95 32.00 2k6l s ARG 29 CO -0.10 -1.05 0.31 1.63 -1.13 0.00 0.00 175.30 174.96 2k6l n LYS 30 N -2.88 0.00 0.00 3.89 4.01 -1.26 -4.86 118.16 117.07 2k6l n LYS 30 Ca 0.06 0.48 0.00 0.00 -0.51 0.00 0.00 58.31 58.34 2k6l n LYS 30 Cb 0.59 -1.14 0.00 0.00 -0.51 0.00 0.00 35.03 33.97 2k6l n LYS 30 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2k6l n GLY 31 N 1.08 -2.62 0.00 0.72 0.00 -1.26 -5.05 105.19 98.05 2k6l n GLY 31 Ca 0.00 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 45.15 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 -1.83 1.02 -0.06 1.61 5.75 -1.26 -5.00 116.55 116.77 2k6l n ASP 32 Ca 0.00 -0.12 -0.00 0.00 -0.01 0.00 0.00 54.79 54.65 2k6l n ASP 32 Cb 0.00 0.00 0.27 0.00 -1.03 0.00 0.00 41.12 40.36 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 0.61 -1.30 -2.12 5.85 -2.00 -2.55 115.31 113.80 2k6l h LEU 33 Ca 0.00 -0.09 0.14 0.00 0.84 0.00 0.00 57.88 58.77 2k6l h LEU 33 Cb 0.00 -0.16 -0.07 0.00 0.37 0.00 0.00 40.66 40.80 2k6l h LEU 33 CO 0.00 0.61 0.57 0.77 -0.34 0.00 0.00 178.44 180.04 2k6l h SER 34 N 0.65 0.65 -0.08 1.25 4.64 -2.01 -0.71 113.55 117.94 2k6l h SER 34 Ca 0.15 0.04 -0.15 0.00 -0.47 0.00 0.00 61.79 61.36 2k6l h SER 34 Cb 0.23 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.22 2k6l h SER 34 CO -0.00 0.34 -0.47 -0.09 -0.87 0.00 0.00 176.83 175.73 2k6l h ARG 35 N 0.69 0.63 -0.35 4.77 2.43 -1.85 -2.08 114.38 118.63 2k6l h ARG 35 Ca 0.44 -0.36 0.05 0.00 -0.81 0.00 0.00 59.98 59.29 2k6l h ARG 35 Cb 0.69 0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 30.22 2k6l h ARG 35 CO -0.19 0.97 0.09 0.35 -1.51 0.00 0.00 179.97 179.67 2k6l h PHE 36 N 0.50 0.16 -0.04 2.20 3.04 -1.12 -1.76 116.94 119.92 2k6l h PHE 36 Ca 0.03 0.02 -0.21 0.00 3.98 0.00 0.00 57.97 61.79 2k6l h PHE 36 Cb 1.01 -0.02 -0.00 0.00 2.56 0.00 0.00 35.95 39.50 2k6l h PHE 36 CO 0.05 0.05 -0.84 0.97 -2.02 0.00 0.00 178.31 176.51 2k6l h ILE 37 N 0.22 1.38 -0.31 1.41 -0.00 -1.51 -2.88 117.51 115.81 2k6l h ILE 37 Ca 0.16 -2.29 0.04 0.00 -0.00 0.00 0.00 64.86 62.77 2k6l h ILE 37 Cb 0.16 2.26 -0.03 0.00 -0.00 0.00 0.00 36.82 39.21 2k6l h ILE 37 CO -0.19 0.69 0.10 -0.08 -0.00 0.00 0.00 178.15 178.67 2k6l h GLU 38 N 0.27 0.23 -0.04 2.19 4.22 -0.95 -0.92 114.58 119.58 2k6l h GLU 38 Ca -0.06 -0.01 -0.10 0.00 0.08 0.00 0.00 59.36 59.27 2k6l h GLU 38 Cb 1.45 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.64 2k6l h GLU 38 CO 0.15 0.15 -0.44 -0.44 -2.18 0.00 0.00 179.01 176.25 2k6l h ASP 39 N 0.24 0.09 -0.23 1.04 3.32 -1.39 -2.60 116.42 116.88 2k6l h ASP 39 Ca 0.14 -0.04 -0.04 0.00 0.02 0.00 0.00 57.03 57.11 2k6l h ASP 39 Cb 0.11 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 2k6l h ASP 39 CO -0.15 0.53 0.00 0.00 -1.72 0.00 0.00 179.24 177.90 2k6l h ALA 40 N 1.48 0.31 -0.27 3.45 0.00 -1.11 -2.69 119.26 120.44 2k6l h ALA 40 Ca 0.00 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.60 2k6l h ALA 40 Cb 0.81 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 2k6l h ALA 40 CO 0.06 0.04 -0.23 -0.39 0.00 0.00 0.00 179.25 178.73 2k6l h VAL 41 N 0.18 1.26 -0.67 0.00 -1.51 -1.13 -2.84 116.25 111.54 2k6l h VAL 41 Ca 0.07 -1.24 -0.03 0.00 -1.23 0.00 0.00 66.70 64.26 2k6l h VAL 41 Cb 0.41 1.32 -0.03 0.00 -2.13 0.00 0.00 31.29 30.85 2k6l h VAL 41 CO 0.01 0.40 0.30 -0.09 -1.23 0.00 0.00 177.57 176.96 2k6l h ARG 42 N 0.45 0.98 -0.56 5.19 9.65 -1.35 -1.09 114.38 127.66 2k6l h ARG 42 Ca 0.07 -0.16 -0.11 0.00 -1.10 0.00 0.00 59.98 58.67 2k6l h ARG 42 Cb 0.65 -0.17 -0.02 0.00 -1.39 0.00 0.00 29.97 29.05 2k6l h ARG 42 CO 0.05 0.80 -0.10 0.00 2.80 0.00 0.00 179.97 183.52 2k6l h ALA 43 N 1.14 0.76 -0.08 2.80 0.00 -1.33 -2.44 119.26 120.11 2k6l h ALA 43 Ca 0.23 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 2k6l h ALA 43 Cb 0.16 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 2k6l h ALA 43 CO -0.02 0.67 -0.06 1.88 0.00 0.00 0.00 179.25 181.72 2k6l h TYR 44 N 0.93 0.20 -0.93 0.00 0.05 -1.29 -2.16 116.97 113.78 2k6l h TYR 44 Ca 0.15 -0.06 0.05 0.00 0.05 0.00 0.00 58.73 58.92 2k6l h TYR 44 Cb 0.67 -0.04 -0.06 0.00 1.01 0.00 0.00 36.73 38.31 2k6l h TYR 44 CO 0.05 0.59 0.61 -0.07 -1.05 0.00 0.00 178.16 178.28 2k6l h LEU 45 N -0.24 0.97 -0.19 3.88 3.38 -1.21 -2.22 115.31 119.69 2k6l h LEU 45 Ca 0.01 -0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 2k6l h LEU 45 Cb 0.54 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 2k6l h LEU 45 CO 0.02 0.64 -0.15 0.15 0.09 0.00 0.00 178.44 179.19 2k6l h PHE 46 N 1.11 0.51 -0.18 1.13 3.57 -1.40 -1.80 116.94 119.88 2k6l h PHE 46 Ca 0.38 -0.14 0.05 0.00 3.53 0.00 0.00 57.97 61.79 2k6l h PHE 46 Cb 0.10 -0.11 -0.05 0.00 2.79 0.00 0.00 35.95 38.69 2k6l h PHE 46 CO -0.00 0.77 -0.11 1.49 -2.23 0.00 0.00 178.31 178.23 2k6l h GLU 47 N 0.10 -0.10 0.00 1.11 4.81 -0.97 0.52 114.58 120.05 2k6l h GLU 47 Ca 0.03 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 2k6l h GLU 47 Cb 0.67 0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.07 2k6l h GLU 47 CO 0.04 -0.07 0.00 0.00 -0.73 0.00 0.00 179.01 178.25 2k6l h ARG 48 N -0.11 0.00 -0.06 1.92 2.47 -1.43 -3.06 114.38 114.11 2k6l h ARG 48 Ca 0.11 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.82 2k6l h ARG 48 Cb 0.26 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.58 2k6l h ARG 48 CO -0.25 0.00 0.02 0.00 0.56 0.00 0.00 179.97 180.30 2k6l h ALA 49 N 2.08 0.08 -0.87 0.04 0.00 0.02 -2.90 119.26 117.71 2k6l h ALA 49 Ca 0.00 -0.12 0.11 0.00 0.00 0.00 0.00 54.91 54.91 2k6l h ALA 49 Cb 0.40 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.08 2k6l h ALA 49 CO 0.00 -0.31 0.51 0.28 0.00 0.00 0.00 179.25 179.73 2k6l h VAL 50 N -0.10 0.87 0.00 0.00 2.07 -1.40 -3.51 116.25 114.18 2k6l h VAL 50 Ca 0.02 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.26 2k6l h VAL 50 Cb 0.22 -0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.99 2k6l h VAL 50 CO -0.00 0.15 0.00 1.21 0.02 0.00 0.00 177.57 178.95