#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 -0.71 0.37 6.12 2.47 -1.26 -5.15 114.94 116.78 2k6l s ASN 2 Ca 0.00 1.15 -0.26 0.00 0.42 0.00 0.00 52.86 54.17 2k6l s ASN 2 Cb 0.00 1.09 -0.09 0.00 -1.45 0.00 0.00 41.25 40.80 2k6l s ASN 2 CO 0.00 -0.40 1.16 0.42 -3.72 0.00 0.00 177.10 174.56 2k6l s THR 3 N -0.26 3.24 0.05 -5.21 -4.23 -1.26 -5.03 115.64 102.94 2k6l s THR 3 Ca -0.04 1.09 0.02 0.00 -1.18 0.00 0.00 61.69 61.57 2k6l s THR 3 Cb -0.03 -3.64 -0.04 0.00 1.34 0.00 0.00 72.50 70.14 2k6l s THR 3 CO 0.05 0.15 0.09 -0.69 -0.54 0.00 0.00 174.62 173.67 2k6l s VAL 4 N -1.36 4.68 -0.35 2.29 1.01 -1.26 -5.08 120.40 120.33 2k6l s VAL 4 Ca 0.54 -0.61 -0.20 0.00 0.00 0.00 0.00 61.98 61.71 2k6l s VAL 4 Cb -0.31 -3.22 0.00 0.00 0.00 0.00 0.00 36.38 32.85 2k6l s VAL 4 CO 0.39 0.20 0.61 -0.60 0.00 0.00 0.00 175.10 175.70 2k6l s ARG 5 N -2.18 3.67 0.18 2.72 3.00 -1.26 -5.05 118.95 120.04 2k6l s ARG 5 Ca 0.28 0.01 -0.08 0.00 -1.00 0.00 0.00 55.73 54.94 2k6l s ARG 5 Cb -0.12 -3.81 -0.07 0.00 0.00 0.00 0.00 34.95 30.96 2k6l s ARG 5 CO 0.20 -0.71 0.48 -1.58 0.00 0.00 0.00 175.30 173.69 2k6l s TRP 6 N 2.63 3.46 -0.18 5.12 0.52 -1.26 -5.08 118.94 124.15 2k6l s TRP 6 Ca 0.23 0.77 -0.01 0.00 0.02 0.00 0.00 56.10 57.11 2k6l s TRP 6 Cb -0.15 -2.17 0.05 0.00 -1.15 0.00 0.00 33.47 30.05 2k6l s TRP 6 CO 0.14 0.35 -0.04 0.54 0.02 0.00 0.00 176.95 177.97 2k6l s ASN 7 N -2.31 2.96 0.01 2.95 4.22 -1.26 -5.13 114.94 116.38 2k6l s ASN 7 Ca 0.44 -0.75 -0.03 0.00 -2.14 0.00 0.00 52.86 50.38 2k6l s ASN 7 Cb -0.12 -0.89 -0.01 0.00 1.28 0.00 0.00 41.25 41.51 2k6l s ASN 7 CO 0.22 -0.21 0.04 0.27 -2.04 0.00 0.00 177.10 175.38 2k6l s ILE 8 N 1.64 0.08 -0.16 0.54 -4.36 -1.26 -5.14 121.20 112.55 2k6l s ILE 8 Ca -0.00 -0.68 -0.04 0.00 -0.26 0.00 0.00 60.65 59.66 2k6l s ILE 8 Cb -0.16 -0.28 -0.03 0.00 1.25 0.00 0.00 42.46 43.24 2k6l s ILE 8 CO -0.07 -0.38 -0.01 0.00 0.24 0.00 0.00 174.94 174.72 2k6l s ALA 9 N -1.18 3.12 0.11 2.27 0.00 -1.26 -5.10 121.76 119.73 2k6l s ALA 9 Ca -0.13 -0.80 -0.02 0.00 0.00 0.00 0.00 51.96 51.01 2k6l s ALA 9 Cb -0.08 -1.63 -0.04 0.00 0.00 0.00 0.00 23.12 21.38 2k6l s ALA 9 CO -0.00 0.24 0.06 0.14 0.00 0.00 0.00 175.76 176.20 2k6l s VAL 10 N 0.25 0.13 0.07 0.00 -7.23 -1.26 -5.13 120.40 107.23 2k6l s VAL 10 Ca -0.01 -1.82 -0.30 0.00 -1.81 0.00 0.00 61.98 58.04 2k6l s VAL 10 Cb -0.13 -1.89 -0.05 0.00 0.56 0.00 0.00 36.38 34.86 2k6l s VAL 10 CO 0.02 -0.57 1.06 -0.55 -0.31 0.00 0.00 175.10 174.75 2k6l s SER 11 N -3.01 7.30 0.19 4.85 0.15 -1.26 -4.86 113.70 117.07 2k6l s SER 11 Ca 0.19 1.87 0.04 0.00 0.70 0.00 0.00 55.95 58.75 2k6l s SER 11 Cb 0.07 -2.58 0.22 0.00 -1.71 0.00 0.00 66.02 62.02 2k6l s SER 11 CO -0.01 -0.27 0.88 -0.81 1.20 0.00 0.00 173.24 174.23 2k6l n PRO 12 N 3.37 0.03 0.13 5.44 -0.04 -1.26 0.33 135.00 143.01 2k6l n PRO 12 Ca 0.05 0.37 -0.01 0.00 -0.04 0.00 0.00 63.50 63.87 2k6l n PRO 12 Cb 0.48 -2.05 0.15 0.00 -0.04 0.00 0.00 33.50 32.05 2k6l n PRO 12 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 2k6l h ASP 13 N 0.00 0.00 0.82 3.54 3.58 -2.02 -3.09 116.42 119.26 2k6l h ASP 13 Ca 0.00 0.00 -0.18 0.00 0.42 0.00 0.00 57.03 57.27 2k6l h ASP 13 Cb 0.89 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.92 2k6l h ASP 13 CO 0.00 0.64 -0.86 -0.37 -2.88 0.00 0.00 179.24 175.77 2k6l h VAL 14 N 0.00 1.60 -0.08 2.25 -1.51 -0.50 -3.20 116.25 114.82 2k6l h VAL 14 Ca -0.01 -2.89 -0.01 0.00 -1.23 0.00 0.00 66.70 62.57 2k6l h VAL 14 Cb 1.14 2.57 -0.00 0.00 -2.13 0.00 0.00 31.29 32.87 2k6l h VAL 14 CO 0.08 0.83 0.01 0.44 -1.23 0.00 0.00 177.57 177.70 2k6l h ASP 15 N 0.01 0.12 -0.40 4.19 5.19 -1.62 -0.94 116.42 122.96 2k6l h ASP 15 Ca -0.01 -0.27 0.01 0.00 -0.62 0.00 0.00 57.03 56.14 2k6l h ASP 15 Cb 1.51 -0.03 -0.02 0.00 0.18 0.00 0.00 39.33 40.97 2k6l h ASP 15 CO 0.11 0.36 0.27 1.56 -3.12 0.00 0.00 179.24 178.42 2k6l h GLN 16 N -0.12 0.48 0.02 3.56 4.20 -1.63 -1.61 115.11 120.01 2k6l h GLN 16 Ca 0.02 -0.03 -0.25 0.00 0.06 0.00 0.00 58.65 58.45 2k6l h GLN 16 Cb 0.29 -0.11 0.01 0.00 0.30 0.00 0.00 27.48 27.98 2k6l h GLN 16 CO 0.00 0.32 -1.03 0.77 -0.67 0.00 0.00 178.83 178.22 2k6l h SER 17 N 0.50 0.73 -0.49 1.46 0.02 -1.51 -2.83 113.55 111.43 2k6l h SER 17 Ca 0.15 -0.60 -0.09 0.00 -0.84 0.00 0.00 61.79 60.41 2k6l h SER 17 Cb 0.01 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.31 2k6l h SER 17 CO -0.04 1.41 -0.05 0.58 -1.14 0.00 0.00 176.83 177.59 2k6l h VAL 18 N 0.30 1.27 -0.19 2.27 2.07 -0.61 -1.33 116.25 120.01 2k6l h VAL 18 Ca -0.12 -1.16 -0.04 0.00 0.82 0.00 0.00 66.70 66.21 2k6l h VAL 18 Cb 1.68 1.03 -0.01 0.00 -1.52 0.00 0.00 31.29 32.48 2k6l h VAL 18 CO 0.19 0.40 -0.03 0.03 0.02 0.00 0.00 177.57 178.19 2k6l h ARG 19 N 0.75 0.36 -0.61 1.57 3.08 -1.39 -2.59 114.38 115.56 2k6l h ARG 19 Ca 0.13 -0.13 -0.02 0.00 0.07 0.00 0.00 59.98 60.04 2k6l h ARG 19 Cb 0.59 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.58 2k6l h ARG 19 CO 0.04 0.59 0.31 0.52 -1.07 0.00 0.00 179.97 180.36 2k6l h MET 20 N 0.10 0.85 -0.32 0.04 2.86 -1.46 -1.54 114.93 115.45 2k6l h MET 20 Ca 0.05 -0.10 -0.01 0.00 -2.06 0.00 0.00 59.70 57.58 2k6l h MET 20 Cb 0.45 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 31.93 2k6l h MET 20 CO 0.02 0.65 0.15 0.35 1.06 0.00 0.00 176.91 179.13 2k6l h PHE 21 N 0.85 0.46 -0.35 -0.22 3.04 -1.06 -1.43 116.94 118.23 2k6l h PHE 21 Ca 0.21 -0.02 -0.16 0.00 3.98 0.00 0.00 57.97 61.98 2k6l h PHE 21 Cb 0.07 -0.14 -0.01 0.00 2.56 0.00 0.00 35.95 38.43 2k6l h PHE 21 CO 0.01 0.41 -0.41 -0.84 -2.02 0.00 0.00 178.31 175.46 2k6l h ILE 22 N 0.38 1.28 -0.09 1.41 3.07 -1.16 -1.33 117.51 121.07 2k6l h ILE 22 Ca 0.11 -1.58 0.00 0.00 1.55 0.00 0.00 64.86 64.93 2k6l h ILE 22 Cb 0.12 1.44 -0.00 0.00 -0.27 0.00 0.00 36.82 38.11 2k6l h ILE 22 CO -0.01 0.52 0.06 0.00 -1.05 0.00 0.00 178.15 177.67 2k6l h ALA 23 N 0.82 0.11 -0.05 0.16 0.00 -1.16 1.71 119.26 120.85 2k6l h ALA 23 Ca 0.05 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 2k6l h ALA 23 Cb 0.99 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 2k6l h ALA 23 CO 0.10 -0.39 -0.10 0.00 0.00 0.00 0.00 179.25 178.86 2k6l h ALA 24 N 1.02 1.74 -0.01 0.00 0.00 -1.22 -1.12 119.26 119.66 2k6l h ALA 24 Ca 0.03 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2k6l h ALA 24 Cb 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2k6l h ALA 24 CO -0.01 0.20 -0.20 1.04 0.00 0.00 0.00 179.25 180.28 2k6l n GLN 25 N -4.38 1.37 -3.10 0.00 1.13 -0.51 -4.99 117.38 106.91 2k6l n GLN 25 Ca -0.02 -0.96 -0.20 0.00 -1.94 0.00 0.00 57.00 53.88 2k6l n GLN 25 Cb 0.20 -1.48 0.01 0.00 0.11 0.00 0.00 30.24 29.08 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 1.32 -0.50 0.00 1.08 0.00 0.57 -4.92 105.19 102.75 2k6l n GLY 26 Ca 0.13 0.54 0.00 0.00 0.00 0.00 0.00 46.02 46.69 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 -0.83 -0.72 3.81 -0.02 0.00 -1.21 -5.03 105.19 101.18 2k6l n GLY 27 Ca -0.16 -1.70 -0.33 0.00 0.00 0.00 0.00 46.02 43.84 2k6l n GLY 27 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2k6l s GLY 28 N -2.25 2.15 0.19 -0.02 0.00 -1.26 -4.94 107.32 101.18 2k6l s GLY 28 Ca 0.00 0.39 0.26 0.00 0.00 0.00 0.00 44.72 45.38 2k6l s GLY 28 CO 0.00 0.71 1.75 -0.96 0.00 0.00 0.00 173.10 174.60 2k6l n ARG 29 N -1.92 0.24 -0.05 2.90 0.00 -1.26 -4.15 116.66 112.43 2k6l n ARG 29 Ca 0.09 0.19 -0.04 0.00 -0.00 0.00 0.00 57.85 58.08 2k6l n ARG 29 Cb 0.53 -1.77 -0.03 0.00 -0.00 0.00 0.00 32.46 31.18 2k6l n ARG 29 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.63 178.50 2k6l h LYS 30 N 0.00 -0.11 -6.08 2.89 1.79 -2.05 -3.42 116.57 109.59 2k6l h LYS 30 Ca 0.00 0.01 -0.52 0.00 -2.18 0.00 0.00 60.65 57.96 2k6l h LYS 30 Cb 0.72 0.03 -0.05 0.00 -1.58 0.00 0.00 32.23 31.34 2k6l h LYS 30 CO 0.00 -0.08 -0.44 0.20 -1.08 0.00 0.00 179.45 178.06 2k6l s GLY 31 N -1.43 2.16 0.00 3.86 0.00 -1.26 -5.09 107.32 105.55 2k6l s GLY 31 Ca -0.05 -1.94 0.00 0.00 0.00 0.00 0.00 44.72 42.74 2k6l s GLY 31 CO 0.20 -1.76 0.00 2.09 0.00 0.00 0.00 173.10 173.62 2k6l n ASP 32 N -1.39 0.00 -0.11 1.64 5.68 -1.26 -4.78 116.55 116.32 2k6l n ASP 32 Ca 0.01 0.00 -0.09 0.00 -0.50 0.00 0.00 54.79 54.21 2k6l n ASP 32 Cb 0.62 0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 40.59 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 0.46 -1.65 -2.12 6.46 -2.00 -2.44 115.31 114.03 2k6l h LEU 33 Ca 0.00 -0.15 0.08 0.00 -0.12 0.00 0.00 57.88 57.70 2k6l h LEU 33 Cb 0.00 -0.12 -0.03 0.00 -0.73 0.00 0.00 40.66 39.78 2k6l h LEU 33 CO 0.00 0.48 0.37 0.28 -0.62 0.00 0.00 178.44 178.95 2k6l h SER 34 N 0.41 0.37 -0.27 1.25 0.02 -2.01 -1.67 113.55 111.64 2k6l h SER 34 Ca 0.12 0.01 -0.16 0.00 -0.84 0.00 0.00 61.79 60.91 2k6l h SER 34 Cb 0.15 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.61 2k6l h SER 34 CO -0.01 0.23 -0.44 -0.09 -1.14 0.00 0.00 176.83 175.38 2k6l h ARG 35 N 0.41 0.84 -0.46 3.45 9.65 -1.75 -1.49 114.38 125.02 2k6l h ARG 35 Ca 0.25 -0.47 0.05 0.00 -1.10 0.00 0.00 59.98 58.72 2k6l h ARG 35 Cb 0.45 0.03 -0.05 0.00 -1.39 0.00 0.00 29.97 29.01 2k6l h ARG 35 CO -0.07 1.10 0.19 0.35 2.80 0.00 0.00 179.97 184.35 2k6l h PHE 36 N 0.67 0.35 -0.04 2.20 3.57 -1.00 -1.26 116.94 121.43 2k6l h PHE 36 Ca 0.04 0.02 -0.25 0.00 3.53 0.00 0.00 57.97 61.32 2k6l h PHE 36 Cb 1.02 -0.09 0.01 0.00 2.79 0.00 0.00 35.95 39.69 2k6l h PHE 36 CO 0.06 0.14 -0.95 0.97 -2.23 0.00 0.00 178.31 176.31 2k6l h ILE 37 N 0.39 1.30 -0.32 1.41 -0.00 -1.52 -3.12 117.51 115.65 2k6l h ILE 37 Ca 0.21 -2.21 0.03 0.00 -0.00 0.00 0.00 64.86 62.90 2k6l h ILE 37 Cb 0.18 2.27 -0.03 0.00 -0.00 0.00 0.00 36.82 39.24 2k6l h ILE 37 CO -0.19 0.68 0.12 -0.33 -0.00 0.00 0.00 178.15 178.43 2k6l h GLU 38 N 0.40 0.26 -0.07 2.19 3.07 -0.91 -1.18 114.58 118.33 2k6l h GLU 38 Ca -0.10 -0.02 -0.03 0.00 -0.50 0.00 0.00 59.36 58.72 2k6l h GLU 38 Cb 1.59 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 29.43 2k6l h GLU 38 CO 0.18 0.17 -0.08 -0.44 -1.40 0.00 0.00 179.01 177.44 2k6l h ASP 39 N 0.26 0.09 -0.20 1.42 5.19 -1.31 -1.13 116.42 120.73 2k6l h ASP 39 Ca 0.14 -0.01 -0.04 0.00 -0.62 0.00 0.00 57.03 56.50 2k6l h ASP 39 Cb 0.10 -0.02 -0.01 0.00 0.18 0.00 0.00 39.33 39.58 2k6l h ASP 39 CO -0.13 0.19 -0.05 0.00 -3.12 0.00 0.00 179.24 176.13 2k6l h ALA 40 N 1.82 0.28 -0.09 3.45 0.00 -1.17 -2.15 119.26 121.40 2k6l h ALA 40 Ca 0.02 -0.25 -0.16 0.00 0.00 0.00 0.00 54.91 54.52 2k6l h ALA 40 Cb 0.22 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2k6l h ALA 40 CO 0.01 0.05 -0.64 -0.39 0.00 0.00 0.00 179.25 178.28 2k6l h VAL 41 N 0.11 1.37 -0.33 0.00 -1.51 -1.08 -3.11 116.25 111.70 2k6l h VAL 41 Ca 0.05 -2.02 -0.08 0.00 -1.23 0.00 0.00 66.70 63.43 2k6l h VAL 41 Cb 0.49 2.01 -0.02 0.00 -2.13 0.00 0.00 31.29 31.64 2k6l h VAL 41 CO 0.02 0.60 -0.14 -0.09 -1.23 0.00 0.00 177.57 176.74 2k6l h ARG 42 N 0.26 0.57 -0.41 5.19 2.43 -1.17 -1.91 114.38 119.34 2k6l h ARG 42 Ca -0.01 -0.18 -0.10 0.00 -0.81 0.00 0.00 59.98 58.88 2k6l h ARG 42 Cb 1.18 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.67 2k6l h ARG 42 CO 0.11 0.70 -0.14 0.00 -1.51 0.00 0.00 179.97 179.13 2k6l h ALA 43 N 1.33 0.57 -0.23 2.80 0.00 -1.33 -0.90 119.26 121.50 2k6l h ALA 43 Ca 0.09 -0.34 -0.13 0.00 0.00 0.00 0.00 54.91 54.54 2k6l h ALA 43 Cb 0.55 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 2k6l h ALA 43 CO 0.03 0.48 -0.35 1.88 0.00 0.00 0.00 179.25 181.30 2k6l h TYR 44 N 0.63 0.80 -0.21 0.00 -1.99 -1.46 -2.04 116.97 112.70 2k6l h TYR 44 Ca 0.10 -0.27 -0.14 0.00 2.00 0.00 0.00 58.73 60.42 2k6l h TYR 44 Cb 0.68 -0.16 0.00 0.00 2.00 0.00 0.00 36.73 39.25 2k6l h TYR 44 CO 0.05 1.02 -0.41 -0.07 -0.00 0.00 0.00 178.16 178.75 2k6l h LEU 45 N 0.35 0.73 -0.54 3.88 3.38 -1.37 -3.13 115.31 118.60 2k6l h LEU 45 Ca 0.02 -0.55 -0.10 0.00 0.09 0.00 0.00 57.88 57.34 2k6l h LEU 45 Cb 0.93 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.46 2k6l h LEU 45 CO 0.08 1.14 -0.06 0.15 0.09 0.00 0.00 178.44 179.84 2k6l h PHE 46 N 0.34 1.11 -0.42 1.13 3.04 -1.23 -1.31 116.94 119.60 2k6l h PHE 46 Ca 0.01 -0.21 0.07 0.00 3.98 0.00 0.00 57.97 61.81 2k6l h PHE 46 Cb 1.01 -0.28 -0.06 0.00 2.56 0.00 0.00 35.95 39.19 2k6l h PHE 46 CO 0.09 1.02 0.08 1.49 -2.02 0.00 0.00 178.31 178.96 2k6l h GLU 47 N 0.87 0.20 -0.00 1.11 4.81 -1.39 0.79 114.58 120.98 2k6l h GLU 47 Ca 0.15 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.36 2k6l h GLU 47 Cb 0.62 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.95 2k6l h GLU 47 CO 0.04 0.13 -0.00 -2.13 -0.73 0.00 0.00 179.01 176.32 2k6l n ARG 48 N -5.11 0.19 -0.03 1.92 3.00 -1.17 -3.37 116.66 112.09 2k6l n ARG 48 Ca 0.03 -0.00 -0.15 0.00 -0.00 0.00 0.00 57.85 57.73 2k6l n ARG 48 Cb 0.20 -1.50 -0.12 0.00 0.00 0.00 0.00 32.46 31.03 2k6l n ARG 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2k6l h ALA 49 N 3.19 -0.00 -0.16 5.13 0.00 0.36 -3.32 119.26 124.45 2k6l h ALA 49 Ca 0.00 -0.50 -0.16 0.00 0.00 0.00 0.00 54.91 54.25 2k6l h ALA 49 Cb 0.41 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 2k6l h ALA 49 CO 0.00 0.07 -0.55 -0.24 0.00 0.00 0.00 179.25 178.52 2k6l h VAL 50 N -0.70 1.33 0.00 0.00 3.04 -1.52 -3.51 116.25 114.90 2k6l h VAL 50 Ca -0.03 -1.82 0.00 0.00 -1.01 0.00 0.00 66.70 63.84 2k6l h VAL 50 Cb 1.06 1.81 0.00 0.00 -2.01 0.00 0.00 31.29 32.15 2k6l h VAL 50 CO 0.04 0.56 0.00 1.21 -1.01 0.00 0.00 177.57 178.37