#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 0.00 0.35 7.83 4.22 -1.26 -5.15 114.94 120.94 2k6l s ASN 2 Ca 0.00 0.05 -0.16 0.00 -2.14 0.00 0.00 52.86 50.61 2k6l s ASN 2 Cb 0.00 0.01 -0.09 0.00 1.28 0.00 0.00 41.25 42.45 2k6l s ASN 2 CO 0.00 -0.05 0.78 0.42 -2.04 0.00 0.00 177.10 176.21 2k6l s THR 3 N 0.40 4.63 0.07 0.54 -4.23 -1.26 -5.07 115.64 110.71 2k6l s THR 3 Ca -0.03 1.04 0.02 0.00 -1.18 0.00 0.00 61.69 61.54 2k6l s THR 3 Cb -0.05 -3.61 -0.04 0.00 1.34 0.00 0.00 72.50 70.14 2k6l s THR 3 CO -0.01 -0.23 0.11 -0.69 -0.54 0.00 0.00 174.62 173.26 2k6l s VAL 4 N -2.04 4.76 -0.44 2.29 1.01 -1.26 -5.07 120.40 119.66 2k6l s VAL 4 Ca 0.56 -0.65 -0.23 0.00 0.00 0.00 0.00 61.98 61.66 2k6l s VAL 4 Cb -0.10 -3.30 0.02 0.00 0.00 0.00 0.00 36.38 33.01 2k6l s VAL 4 CO 0.17 0.14 0.78 -0.13 0.00 0.00 0.00 175.10 176.07 2k6l s ARG 5 N -2.38 3.46 0.16 2.72 0.52 -1.26 -5.04 118.95 117.13 2k6l s ARG 5 Ca 0.30 -0.04 -0.07 0.00 -0.52 0.00 0.00 55.73 55.40 2k6l s ARG 5 Cb -0.12 -3.92 -0.06 0.00 0.52 0.00 0.00 34.95 31.37 2k6l s ARG 5 CO 0.23 -1.08 0.44 -1.58 0.02 0.00 0.00 175.30 173.33 2k6l s TRP 6 N 3.26 3.48 -0.18 -0.53 0.52 -1.26 -5.08 118.94 119.15 2k6l s TRP 6 Ca 0.30 0.71 -0.00 0.00 0.02 0.00 0.00 56.10 57.13 2k6l s TRP 6 Cb -0.12 -2.12 0.04 0.00 -1.15 0.00 0.00 33.47 30.12 2k6l s TRP 6 CO 0.22 0.40 -0.06 -0.80 0.02 0.00 0.00 176.95 176.72 2k6l s ASN 7 N -2.27 3.10 0.01 2.95 0.01 -1.26 -5.12 114.94 112.35 2k6l s ASN 7 Ca 0.41 -0.79 -0.02 0.00 -0.71 0.00 0.00 52.86 51.76 2k6l s ASN 7 Cb -0.12 -1.01 -0.01 0.00 0.41 0.00 0.00 41.25 40.52 2k6l s ASN 7 CO 0.22 -0.19 0.02 0.27 -1.51 0.00 0.00 177.10 175.91 2k6l s ILE 8 N 1.56 0.07 -0.14 0.60 -4.36 -1.26 -5.14 121.20 112.53 2k6l s ILE 8 Ca -0.01 -0.62 -0.03 0.00 -0.26 0.00 0.00 60.65 59.73 2k6l s ILE 8 Cb -0.16 -0.23 -0.03 0.00 1.25 0.00 0.00 42.46 43.29 2k6l s ILE 8 CO -0.08 -0.34 -0.02 0.00 0.24 0.00 0.00 174.94 174.74 2k6l s ALA 9 N -1.03 3.09 0.12 2.27 0.00 -1.26 -5.10 121.76 119.85 2k6l s ALA 9 Ca -0.11 -0.81 -0.03 0.00 0.00 0.00 0.00 51.96 51.01 2k6l s ALA 9 Cb -0.07 -1.55 -0.03 0.00 0.00 0.00 0.00 23.12 21.47 2k6l s ALA 9 CO -0.00 0.31 0.09 0.14 0.00 0.00 0.00 175.76 176.30 2k6l s VAL 10 N 0.02 0.11 0.44 0.00 -7.23 -1.26 -5.14 120.40 107.34 2k6l s VAL 10 Ca 0.01 -1.78 -0.22 0.00 -1.81 0.00 0.00 61.98 58.18 2k6l s VAL 10 Cb -0.13 -1.91 -0.09 0.00 0.56 0.00 0.00 36.38 34.82 2k6l s VAL 10 CO 0.02 -0.52 1.06 -0.44 -0.31 0.00 0.00 175.10 174.91 2k6l s SER 11 N -3.01 6.54 0.00 4.85 0.01 -1.26 -4.88 113.70 115.95 2k6l s SER 11 Ca 0.20 2.02 0.04 0.00 1.31 0.00 0.00 55.95 59.52 2k6l s SER 11 Cb 0.07 -2.58 0.22 0.00 0.21 0.00 0.00 66.02 63.94 2k6l s SER 11 CO -0.01 -0.65 1.02 -0.81 0.41 0.00 0.00 173.24 173.21 2k6l n PRO 12 N -0.46 0.05 0.10 12.44 -0.04 -1.26 -1.80 135.00 144.03 2k6l n PRO 12 Ca 0.07 0.29 -0.04 0.00 -0.04 0.00 0.00 63.50 63.78 2k6l n PRO 12 Cb 0.51 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.54 2k6l n PRO 12 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 2k6l h ASP 13 N 0.00 0.10 0.78 3.54 3.32 -2.01 -3.16 116.42 118.99 2k6l h ASP 13 Ca 0.00 -0.07 -0.19 0.00 0.02 0.00 0.00 57.03 56.79 2k6l h ASP 13 Cb 0.05 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.55 2k6l h ASP 13 CO 0.00 0.80 -0.87 -0.37 -1.72 0.00 0.00 179.24 177.08 2k6l h VAL 14 N 0.05 1.58 -0.07 -1.35 -1.51 -1.73 -3.17 116.25 110.05 2k6l h VAL 14 Ca -0.02 -2.85 -0.01 0.00 -1.23 0.00 0.00 66.70 62.59 2k6l h VAL 14 Cb 1.30 2.56 -0.00 0.00 -2.13 0.00 0.00 31.29 33.01 2k6l h VAL 14 CO 0.10 0.82 -0.00 -0.78 -1.23 0.00 0.00 177.57 176.48 2k6l h ASP 15 N 0.03 0.12 -0.55 4.19 3.58 -1.65 -1.11 116.42 121.02 2k6l h ASP 15 Ca -0.02 -0.33 0.04 0.00 0.42 0.00 0.00 57.03 57.14 2k6l h ASP 15 Cb 1.52 -0.03 -0.03 0.00 1.72 0.00 0.00 39.33 42.51 2k6l h ASP 15 CO 0.12 0.42 0.37 -0.61 -2.88 0.00 0.00 179.24 176.65 2k6l h GLN 16 N -0.18 0.59 -0.05 0.28 4.15 -1.63 -1.71 115.11 116.57 2k6l h GLN 16 Ca 0.02 -0.04 -0.23 0.00 0.77 0.00 0.00 58.65 59.17 2k6l h GLN 16 Cb 0.36 -0.13 0.01 0.00 0.21 0.00 0.00 27.48 27.92 2k6l h GLN 16 CO 0.00 0.39 -0.91 0.77 -1.93 0.00 0.00 178.83 177.16 2k6l h SER 17 N 0.61 0.76 -0.45 -0.69 0.02 -1.49 -2.98 113.55 109.33 2k6l h SER 17 Ca 0.23 -0.57 -0.04 0.00 -0.84 0.00 0.00 61.79 60.57 2k6l h SER 17 Cb 0.14 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.43 2k6l h SER 17 CO -0.06 1.36 0.12 0.58 -1.14 0.00 0.00 176.83 177.69 2k6l h VAL 18 N 0.37 1.23 -0.37 2.27 2.07 -0.52 -1.86 116.25 119.44 2k6l h VAL 18 Ca -0.08 -0.80 -0.00 0.00 0.82 0.00 0.00 66.70 66.64 2k6l h VAL 18 Cb 1.54 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 32.18 2k6l h VAL 18 CO 0.17 0.28 0.22 0.03 0.02 0.00 0.00 177.57 178.30 2k6l h ARG 19 N 0.60 0.51 -0.70 1.57 2.47 -1.39 -2.25 114.38 115.19 2k6l h ARG 19 Ca 0.14 -0.05 0.00 0.00 -1.26 0.00 0.00 59.98 58.82 2k6l h ARG 19 Cb 0.31 -0.11 -0.03 0.00 -1.65 0.00 0.00 29.97 28.49 2k6l h ARG 19 CO -0.00 0.39 0.45 0.52 0.56 0.00 0.00 179.97 181.89 2k6l h MET 20 N 0.48 0.94 -0.73 0.04 2.86 -1.36 -2.36 114.93 114.80 2k6l h MET 20 Ca 0.13 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.71 2k6l h MET 20 Cb 0.01 -0.21 -0.04 0.00 0.06 0.00 0.00 31.60 31.43 2k6l h MET 20 CO -0.02 0.63 0.46 0.35 1.06 0.00 0.00 176.91 179.39 2k6l h PHE 21 N 0.96 0.95 -0.73 -0.22 3.57 -0.75 -2.38 116.94 118.35 2k6l h PHE 21 Ca 0.26 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.74 2k6l h PHE 21 Cb -0.08 -0.31 -0.03 0.00 2.79 0.00 0.00 35.95 38.31 2k6l h PHE 21 CO 0.00 0.62 0.37 -0.84 -2.23 0.00 0.00 178.31 176.23 2k6l h ILE 22 N 1.00 1.22 -0.31 1.41 3.07 -1.10 -1.05 117.51 121.76 2k6l h ILE 22 Ca 0.26 -0.60 0.09 0.00 1.55 0.00 0.00 64.86 66.16 2k6l h ILE 22 Cb -0.06 0.28 -0.01 0.00 -0.27 0.00 0.00 36.82 36.75 2k6l h ILE 22 CO -0.05 0.26 0.23 0.00 -1.05 0.00 0.00 178.15 177.53 2k6l h ALA 23 N 1.38 2.28 -0.01 0.16 0.00 -1.26 1.68 119.26 123.49 2k6l h ALA 23 Ca 0.25 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.96 2k6l h ALA 23 Cb 0.07 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2k6l h ALA 23 CO -0.04 -0.38 -0.84 0.00 0.00 0.00 0.00 179.25 177.99 2k6l h ALA 24 N 1.84 0.57 -0.02 0.00 0.00 -1.10 -3.16 119.26 117.39 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 0.60 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2k6l h ALA 24 CO -0.00 0.89 -0.27 1.04 0.00 0.00 0.00 179.25 180.92 2k6l n GLN 25 N -3.68 1.64 -3.44 0.00 1.13 0.28 -4.96 117.38 108.35 2k6l n GLN 25 Ca -0.03 -1.33 -0.16 0.00 -1.94 0.00 0.00 57.00 53.54 2k6l n GLN 25 Cb 0.78 -1.47 -0.04 0.00 0.11 0.00 0.00 30.24 29.62 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 1.38 -0.11 3.42 1.08 0.00 0.55 -4.82 105.19 106.68 2k6l n GLY 26 Ca 0.12 0.10 -0.30 0.00 0.00 0.00 0.00 46.02 45.93 2k6l n GLY 26 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2k6l s GLY 27 N -3.76 1.48 0.00 -0.02 0.00 -1.25 -5.03 107.32 98.74 2k6l s GLY 27 Ca 0.04 -0.62 0.00 0.00 0.00 0.00 0.00 44.72 44.14 2k6l s GLY 27 CO 0.46 0.27 0.00 0.61 0.00 0.00 0.00 173.10 174.44 2k6l n GLY 28 N 0.73 -0.19 0.13 0.20 0.00 -1.26 -4.99 105.19 99.82 2k6l n GLY 28 Ca 0.09 -1.47 0.06 0.00 0.00 0.00 0.00 46.02 44.70 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 0.00 2.60 0.00 1.61 5.12 -1.26 -4.82 116.66 119.90 2k6l n ARG 29 Ca 0.00 -0.32 0.00 0.00 -1.93 0.00 0.00 57.85 55.60 2k6l n ARG 29 Cb 0.00 -1.10 0.00 0.00 -1.16 0.00 0.00 32.46 30.20 2k6l n ARG 29 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 2k6l n LYS 30 N -0.77 0.00 -1.75 5.56 4.76 -1.26 -4.56 118.16 120.14 2k6l n LYS 30 Ca 0.04 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 55.06 2k6l n LYS 30 Cb 0.22 -0.36 -0.03 0.00 -1.84 0.00 0.00 35.03 33.01 2k6l n LYS 30 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 2k6l s GLY 31 N 0.00 1.24 0.00 0.72 0.00 -1.26 -4.98 107.32 103.04 2k6l s GLY 31 Ca 0.00 1.57 0.00 0.00 0.00 0.00 0.00 44.72 46.29 2k6l s GLY 31 CO 0.00 2.86 0.00 2.09 0.00 0.00 0.00 173.10 178.05 2k6l n ASP 32 N 4.02 0.00 -0.13 1.64 5.68 -1.26 -4.83 116.55 121.67 2k6l n ASP 32 Ca 0.16 0.00 -0.09 0.00 -0.50 0.00 0.00 54.79 54.35 2k6l n ASP 32 Cb 0.36 0.00 -0.01 0.00 -1.14 0.00 0.00 41.12 40.32 2k6l n ASP 32 CO 0.00 0.00 0.00 0.25 -1.33 0.00 0.00 177.20 176.12 2k6l h LEU 33 N 0.00 0.55 -1.61 -2.12 5.85 -1.98 -2.62 115.31 113.37 2k6l h LEU 33 Ca 0.00 -0.19 0.05 0.00 0.84 0.00 0.00 57.88 58.58 2k6l h LEU 33 Cb 0.00 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 40.86 2k6l h LEU 33 CO 0.00 0.59 0.33 0.77 -0.34 0.00 0.00 178.44 179.79 2k6l h SER 34 N 0.48 0.43 -0.31 1.25 4.64 -2.00 -2.21 113.55 115.82 2k6l h SER 34 Ca 0.13 -0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.28 2k6l h SER 34 Cb 0.22 -0.10 -0.00 0.00 -0.31 0.00 0.00 62.40 62.21 2k6l h SER 34 CO -0.01 0.29 -0.44 -0.09 -0.87 0.00 0.00 176.83 175.71 2k6l h ARG 35 N 0.49 0.84 -0.38 4.77 9.65 -1.80 -1.85 114.38 126.10 2k6l h ARG 35 Ca 0.21 -0.49 0.05 0.00 -1.10 0.00 0.00 59.98 58.65 2k6l h ARG 35 Cb 0.21 0.04 -0.05 0.00 -1.39 0.00 0.00 29.97 28.79 2k6l h ARG 35 CO -0.05 1.13 0.11 0.35 2.80 0.00 0.00 179.97 184.30 2k6l h PHE 36 N 0.62 0.18 -0.13 2.20 3.57 -1.08 -1.60 116.94 120.71 2k6l h PHE 36 Ca 0.03 0.02 -0.20 0.00 3.53 0.00 0.00 57.97 61.35 2k6l h PHE 36 Cb 1.04 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.75 2k6l h PHE 36 CO 0.07 0.06 -0.73 0.97 -2.23 0.00 0.00 178.31 176.45 2k6l h ILE 37 N 0.25 1.32 -0.26 1.41 -0.00 -1.55 -2.89 117.51 115.79 2k6l h ILE 37 Ca 0.18 -2.02 0.03 0.00 -0.00 0.00 0.00 64.86 63.05 2k6l h ILE 37 Cb 0.18 2.00 -0.03 0.00 -0.00 0.00 0.00 36.82 38.98 2k6l h ILE 37 CO -0.21 0.63 0.09 -0.08 -0.00 0.00 0.00 178.15 178.57 2k6l h GLU 38 N 0.42 0.20 -0.09 2.19 4.22 -0.88 -1.16 114.58 119.48 2k6l h GLU 38 Ca -0.04 -0.01 -0.09 0.00 0.08 0.00 0.00 59.36 59.30 2k6l h GLU 38 Cb 1.33 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.52 2k6l h GLU 38 CO 0.14 0.13 -0.35 -0.44 -2.18 0.00 0.00 179.01 176.31 2k6l h ASP 39 N 0.20 0.18 -0.23 1.04 3.32 -1.36 -1.39 116.42 118.18 2k6l h ASP 39 Ca 0.12 -0.06 -0.04 0.00 0.02 0.00 0.00 57.03 57.06 2k6l h ASP 39 Cb 0.09 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 2k6l h ASP 39 CO -0.12 0.52 -0.02 0.00 -1.72 0.00 0.00 179.24 177.90 2k6l h ALA 40 N 1.49 0.31 -0.12 3.45 0.00 -1.16 -1.59 119.26 121.65 2k6l h ALA 40 Ca 0.02 -0.23 -0.17 0.00 0.00 0.00 0.00 54.91 54.52 2k6l h ALA 40 Cb 0.70 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 2k6l h ALA 40 CO 0.05 0.06 -0.66 -0.39 0.00 0.00 0.00 179.25 178.31 2k6l h VAL 41 N 0.18 1.35 -0.43 0.00 -1.51 -1.14 -3.01 116.25 111.69 2k6l h VAL 41 Ca 0.06 -1.99 -0.07 0.00 -1.23 0.00 0.00 66.70 63.47 2k6l h VAL 41 Cb 0.44 1.97 -0.01 0.00 -2.13 0.00 0.00 31.29 31.55 2k6l h VAL 41 CO 0.02 0.61 -0.02 0.03 -1.23 0.00 0.00 177.57 176.97 2k6l h ARG 42 N 0.34 0.77 -0.58 5.19 3.08 -1.20 -2.21 114.38 119.78 2k6l h ARG 42 Ca -0.02 -0.26 -0.04 0.00 0.07 0.00 0.00 59.98 59.74 2k6l h ARG 42 Cb 1.22 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 31.18 2k6l h ARG 42 CO 0.12 0.85 0.22 0.00 -1.07 0.00 0.00 179.97 180.09 2k6l h ALA 43 N 0.89 0.75 -0.50 0.04 0.00 -1.31 -1.30 119.26 117.83 2k6l h ALA 43 Ca 0.12 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 2k6l h ALA 43 Cb 0.52 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 2k6l h ALA 43 CO 0.03 0.38 -0.09 1.88 0.00 0.00 0.00 179.25 181.44 2k6l h TYR 44 N 0.80 1.01 0.00 0.00 0.05 -1.47 -2.36 116.97 115.00 2k6l h TYR 44 Ca 0.19 -0.19 -0.12 0.00 0.05 0.00 0.00 58.73 58.67 2k6l h TYR 44 Cb 0.22 -0.26 -0.02 0.00 1.01 0.00 0.00 36.73 37.69 2k6l h TYR 44 CO 0.01 0.95 -0.55 -0.07 -1.05 0.00 0.00 178.16 177.45 2k6l h LEU 45 N 0.82 0.00 -0.07 3.88 3.38 -1.19 -2.99 115.31 119.15 2k6l h LEU 45 Ca 0.14 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.00 2k6l h LEU 45 Cb 0.62 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.37 2k6l h LEU 45 CO 0.04 0.55 -0.38 0.15 0.09 0.00 0.00 178.44 178.89 2k6l h PHE 46 N 0.00 0.53 -0.08 1.13 3.04 -1.00 -1.71 116.94 118.85 2k6l h PHE 46 Ca -0.01 -0.23 0.01 0.00 3.98 0.00 0.00 57.97 61.72 2k6l h PHE 46 Cb 0.99 -0.08 -0.01 0.00 2.56 0.00 0.00 35.95 39.41 2k6l h PHE 46 CO 0.00 0.99 0.03 0.93 -2.02 0.00 0.00 178.31 178.24 2k6l h GLU 47 N -0.08 0.07 0.00 1.11 5.08 -1.44 -1.77 114.58 117.55 2k6l h GLU 47 Ca -0.03 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2k6l h GLU 47 Cb 1.04 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.27 2k6l h GLU 47 CO 0.08 0.05 0.00 0.07 -1.00 0.00 0.00 179.01 178.20 2k6l h ARG 48 N 0.07 0.00 -0.14 2.33 0.11 -1.61 -2.93 114.38 112.21 2k6l h ARG 48 Ca 0.03 0.00 -0.07 0.00 0.10 0.00 0.00 59.98 60.04 2k6l h ARG 48 Cb 0.01 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.09 2k6l h ARG 48 CO -0.03 0.00 -0.17 0.00 0.10 0.00 0.00 179.97 179.87 2k6l h ALA 49 N 2.00 0.21 -0.37 0.08 0.00 -0.45 -3.23 119.26 117.51 2k6l h ALA 49 Ca 0.00 -0.34 -0.09 0.00 0.00 0.00 0.00 54.91 54.47 2k6l h ALA 49 Cb 0.57 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 2k6l h ALA 49 CO 0.00 0.13 -0.13 0.28 0.00 0.00 0.00 179.25 179.53 2k6l h VAL 50 N -0.01 1.28 0.00 0.00 2.07 -1.36 -3.51 116.25 114.72 2k6l h VAL 50 Ca 0.02 -1.22 0.00 0.00 0.82 0.00 0.00 66.70 66.31 2k6l h VAL 50 Cb 0.72 1.30 0.00 0.00 -1.52 0.00 0.00 31.29 31.80 2k6l h VAL 50 CO 0.04 0.40 0.00 1.21 0.02 0.00 0.00 177.57 179.25