#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 -0.80 0.29 7.83 2.20 -1.26 -5.13 114.94 118.06 2k6l s ASN 2 Ca 0.00 1.36 -0.29 0.00 -0.94 0.00 0.00 52.86 52.99 2k6l s ASN 2 Cb 0.00 1.27 -0.13 0.00 -2.00 0.00 0.00 41.25 40.39 2k6l s ASN 2 CO 0.00 -0.23 1.29 0.35 -2.94 0.00 0.00 177.10 175.57 2k6l n THR 3 N 3.87 1.57 -3.89 0.54 -2.24 -1.26 -4.97 114.28 107.90 2k6l n THR 3 Ca -0.19 -0.39 -0.32 0.00 -2.27 0.00 0.00 64.05 60.88 2k6l n THR 3 Cb 0.57 -1.42 -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 -0.67 5.40 -0.24 2.28 1.01 -1.26 -5.08 120.40 121.84 2k6l s VAL 4 Ca 0.61 -0.24 -0.13 0.00 0.00 0.00 0.00 61.98 62.23 2k6l s VAL 4 Cb -0.63 -3.59 -0.05 0.00 0.00 0.00 0.00 36.38 32.12 2k6l s VAL 4 CO 0.57 0.23 0.26 -0.60 0.00 0.00 0.00 175.10 175.56 2k6l s ARG 5 N -2.23 4.07 0.01 2.72 3.52 -1.26 -5.07 118.95 120.71 2k6l s ARG 5 Ca 0.31 -0.11 -0.14 0.00 -0.13 0.00 0.00 55.73 55.67 2k6l s ARG 5 Cb -0.13 -3.58 -0.06 0.00 -1.56 0.00 0.00 34.95 29.63 2k6l s ARG 5 CO 0.23 -0.06 0.39 -1.58 -0.81 0.00 0.00 175.30 173.48 2k6l s TRP 6 N 1.40 3.70 -0.20 5.12 0.52 -1.26 -5.07 118.94 123.16 2k6l s TRP 6 Ca 0.12 0.94 -0.00 0.00 0.02 0.00 0.00 56.10 57.17 2k6l s TRP 6 Cb -0.15 -2.25 0.05 0.00 -1.15 0.00 0.00 33.47 29.98 2k6l s TRP 6 CO 0.07 0.63 -0.04 -0.80 0.02 0.00 0.00 176.95 176.84 2k6l s ASN 7 N -1.18 3.25 -0.00 2.95 -0.87 -1.26 -5.12 114.94 112.70 2k6l s ASN 7 Ca 0.25 -0.89 -0.03 0.00 -1.57 0.00 0.00 52.86 50.61 2k6l s ASN 7 Cb -0.16 -0.97 -0.00 0.00 -0.02 0.00 0.00 41.25 40.10 2k6l s ASN 7 CO 0.14 -0.22 0.06 0.27 -2.57 0.00 0.00 177.10 174.77 2k6l s ILE 8 N 1.58 0.06 -0.15 0.60 -4.36 -1.26 -5.14 121.20 112.52 2k6l s ILE 8 Ca -0.02 -0.48 -0.06 0.00 -0.26 0.00 0.00 60.65 59.83 2k6l s ILE 8 Cb -0.17 -0.24 -0.04 0.00 1.25 0.00 0.00 42.46 43.26 2k6l s ILE 8 CO -0.07 -0.26 0.05 0.00 0.24 0.00 0.00 174.94 174.89 2k6l s ALA 9 N -0.82 3.38 0.12 2.27 0.00 -1.26 -5.10 121.76 120.36 2k6l s ALA 9 Ca -0.09 -0.75 -0.03 0.00 0.00 0.00 0.00 51.96 51.08 2k6l s ALA 9 Cb -0.05 -1.80 -0.03 0.00 0.00 0.00 0.00 23.12 21.24 2k6l s ALA 9 CO 0.00 0.30 0.10 0.14 0.00 0.00 0.00 175.76 176.31 2k6l s VAL 10 N -0.01 0.12 0.27 0.00 -7.23 -1.26 -5.14 120.40 107.15 2k6l s VAL 10 Ca 0.05 -1.72 -0.29 0.00 -1.81 0.00 0.00 61.98 58.21 2k6l s VAL 10 Cb -0.12 -1.86 -0.09 0.00 0.56 0.00 0.00 36.38 34.87 2k6l s VAL 10 CO 0.01 -0.53 1.01 -0.55 -0.31 0.00 0.00 175.10 174.74 2k6l s SER 11 N -2.99 7.43 0.00 4.85 0.15 -1.26 -4.86 113.70 117.02 2k6l s SER 11 Ca 0.18 2.08 0.00 0.00 0.70 0.00 0.00 55.95 58.91 2k6l s SER 11 Cb 0.06 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.76 2k6l s SER 11 CO -0.02 -0.01 0.63 -0.81 1.20 0.00 0.00 173.24 174.24 2k6l n PRO 12 N 1.25 0.00 0.07 5.44 -0.04 -1.26 -0.67 135.00 139.79 2k6l n PRO 12 Ca -0.01 0.20 -0.07 0.00 -0.04 0.00 0.00 63.50 63.57 2k6l n PRO 12 Cb 0.46 -1.64 0.06 0.00 -0.04 0.00 0.00 33.50 32.35 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 0.33 0.28 3.54 3.58 -2.01 -3.01 116.42 119.13 2k6l h ASP 13 Ca 0.00 -0.22 -0.22 0.00 0.42 0.00 0.00 57.03 57.01 2k6l h ASP 13 Cb 0.27 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 41.23 2k6l h ASP 13 CO 0.00 0.93 -0.90 -0.37 -2.88 0.00 0.00 179.24 176.02 2k6l h VAL 14 N 0.19 1.38 -0.10 2.25 -1.51 -1.27 -2.95 116.25 114.25 2k6l h VAL 14 Ca -0.02 -2.36 -0.01 0.00 -1.23 0.00 0.00 66.70 63.08 2k6l h VAL 14 Cb 1.25 2.34 -0.00 0.00 -2.13 0.00 0.00 31.29 32.74 2k6l h VAL 14 CO 0.11 0.71 0.03 -0.78 -1.23 0.00 0.00 177.57 176.41 2k6l h ASP 15 N 0.26 0.15 -0.75 4.19 3.58 -1.66 -1.33 116.42 120.85 2k6l h ASP 15 Ca -0.07 -0.22 0.04 0.00 0.42 0.00 0.00 57.03 57.21 2k6l h ASP 15 Cb 1.52 -0.04 -0.05 0.00 1.72 0.00 0.00 39.33 42.48 2k6l h ASP 15 CO 0.16 0.33 0.46 -0.61 -2.88 0.00 0.00 179.24 176.70 2k6l h GLN 16 N -0.04 0.85 -0.66 0.28 4.15 -1.60 -1.95 115.11 116.15 2k6l h GLN 16 Ca 0.03 -0.05 -0.07 0.00 0.77 0.00 0.00 58.65 59.33 2k6l h GLN 16 Cb 0.23 -0.19 -0.03 0.00 0.21 0.00 0.00 27.48 27.70 2k6l h GLN 16 CO -0.00 0.57 0.12 0.77 -1.93 0.00 0.00 178.83 178.36 2k6l h SER 17 N 0.88 1.03 -0.71 -0.69 0.02 -1.35 -2.03 113.55 110.70 2k6l h SER 17 Ca 0.32 -0.24 0.02 0.00 -0.84 0.00 0.00 61.79 61.05 2k6l h SER 17 Cb 0.09 -0.27 -0.04 0.00 0.14 0.00 0.00 62.40 62.32 2k6l h SER 17 CO -0.14 1.02 0.46 0.58 -1.14 0.00 0.00 176.83 177.61 2k6l h VAL 18 N 1.02 1.14 -0.37 2.27 2.07 -0.50 -1.41 116.25 120.47 2k6l h VAL 18 Ca 0.20 -0.32 -0.11 0.00 0.82 0.00 0.00 66.70 67.29 2k6l h VAL 18 Cb 0.42 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.31 2k6l h VAL 18 CO 0.01 0.17 -0.24 -0.09 0.02 0.00 0.00 177.57 177.44 2k6l h ARG 19 N 0.92 0.74 -0.61 1.57 2.43 -1.19 -2.96 114.38 115.28 2k6l h ARG 19 Ca 0.27 -0.30 -0.01 0.00 -0.81 0.00 0.00 59.98 59.13 2k6l h ARG 19 Cb -0.05 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.43 2k6l h ARG 19 CO -0.08 0.91 0.34 0.52 -1.51 0.00 0.00 179.97 180.15 2k6l h MET 20 N 0.65 0.84 -0.11 0.20 2.86 -0.68 -1.38 114.93 117.31 2k6l h MET 20 Ca 0.09 -0.09 0.03 0.00 -2.06 0.00 0.00 59.70 57.66 2k6l h MET 20 Cb 0.74 -0.17 -0.03 0.00 0.06 0.00 0.00 31.60 32.21 2k6l h MET 20 CO 0.06 0.63 -0.05 0.35 1.06 0.00 0.00 176.91 178.96 2k6l h PHE 21 N 0.82 -0.11 -0.70 -0.22 3.57 -1.12 -2.35 116.94 116.82 2k6l h PHE 21 Ca 0.21 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.67 2k6l h PHE 21 Cb 0.03 0.07 -0.03 0.00 2.79 0.00 0.00 35.95 38.81 2k6l h PHE 21 CO -0.01 -0.08 0.20 -0.84 -2.23 0.00 0.00 178.31 175.35 2k6l h ILE 22 N -0.04 1.26 -0.74 1.41 3.07 -1.40 -2.24 117.51 118.82 2k6l h ILE 22 Ca 0.06 -0.91 0.12 0.00 1.55 0.00 0.00 64.86 65.68 2k6l h ILE 22 Cb 0.13 0.50 -0.05 0.00 -0.27 0.00 0.00 36.82 37.13 2k6l h ILE 22 CO -0.13 0.35 0.49 0.00 -1.05 0.00 0.00 178.15 177.81 2k6l h ALA 23 N 1.17 1.94 0.00 0.16 0.00 -0.77 2.56 119.26 124.32 2k6l h ALA 23 Ca 0.23 -0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.99 2k6l h ALA 23 Cb 0.32 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2k6l h ALA 23 CO -0.00 -0.12 -0.68 0.00 0.00 0.00 0.00 179.25 178.44 2k6l h ALA 24 N 1.64 0.74 -0.02 0.00 0.00 -0.92 -3.12 119.26 117.58 2k6l h ALA 24 Ca 0.35 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2k6l h ALA 24 Cb 0.62 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2k6l h ALA 24 CO -0.12 0.86 -0.21 1.04 0.00 0.00 0.00 179.25 180.81 2k6l n GLN 25 N -3.54 1.82 0.00 0.00 1.13 0.68 -5.03 117.38 112.44 2k6l n GLN 25 Ca -0.00 -1.51 0.00 0.00 -1.94 0.00 0.00 57.00 53.55 2k6l n GLN 25 Cb 0.72 -1.46 0.00 0.00 0.11 0.00 0.00 30.24 29.60 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 1.37 2.01 0.00 1.08 0.00 0.83 -5.04 105.19 105.44 2k6l n GLY 26 Ca 0.12 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.37 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 4.49 3.62 -0.02 0.00 -1.15 -3.98 105.19 108.16 2k6l n GLY 27 Ca 0.00 -1.12 -0.23 0.00 0.00 0.00 0.00 46.02 44.66 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 -1.25 2.57 0.00 -0.02 0.00 -1.26 -5.05 105.19 100.17 2k6l n GLY 28 Ca 0.00 -2.28 0.00 0.00 0.00 0.00 0.00 46.02 43.75 2k6l n GLY 28 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2k6l n ARG 29 N -1.83 4.35 -3.70 1.61 3.00 -1.26 -4.86 116.66 113.97 2k6l n ARG 29 Ca 0.02 -0.00 -0.35 0.00 -0.00 0.00 0.00 57.85 57.52 2k6l n ARG 29 Cb 0.59 -0.69 -0.08 0.00 0.00 0.00 0.00 32.46 32.27 2k6l n ARG 29 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 2k6l s LYS 30 N -1.39 2.95 0.00 -0.14 -0.14 -1.26 -4.90 119.74 114.86 2k6l s LYS 30 Ca 0.00 -3.05 0.00 0.00 -1.36 0.00 0.00 55.97 51.56 2k6l s LYS 30 Cb 0.00 -3.82 0.00 0.00 -1.68 0.00 0.00 37.83 32.34 2k6l s LYS 30 CO 0.01 -1.24 0.00 0.41 -0.76 0.00 0.00 175.35 173.77 2k6l n GLY 31 N 2.65 -2.14 0.01 -3.33 0.00 -1.26 -4.91 105.19 96.21 2k6l n GLY 31 Ca 0.17 -0.60 -0.01 0.00 0.00 0.00 0.00 46.02 45.58 2k6l n GLY 31 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2k6l n ASP 32 N 0.00 0.16 -0.12 1.61 8.00 -1.26 -4.24 116.55 120.70 2k6l n ASP 32 Ca 0.00 0.05 -0.12 0.00 0.71 0.00 0.00 54.79 55.43 2k6l n ASP 32 Cb 0.00 -0.52 -0.03 0.00 -0.02 0.00 0.00 41.12 40.55 2k6l n ASP 32 CO 0.00 0.00 0.00 0.17 -0.39 0.00 0.00 177.20 176.98 2k6l h LEU 33 N -0.08 0.76 -0.73 0.64 -0.00 -1.97 -2.71 115.31 111.21 2k6l h LEU 33 Ca 0.00 -0.41 0.10 0.00 -0.00 0.00 0.00 57.88 57.58 2k6l h LEU 33 Cb 0.08 -0.21 -0.08 0.00 -0.00 0.00 0.00 40.66 40.45 2k6l h LEU 33 CO 0.00 1.00 0.35 -1.28 -0.00 0.00 0.00 178.44 178.51 2k6l h SER 34 N 0.51 0.44 -0.06 0.17 0.87 -1.98 -1.59 113.55 111.91 2k6l h SER 34 Ca 0.08 0.07 -0.16 0.00 -1.23 0.00 0.00 61.79 60.55 2k6l h SER 34 Cb 0.71 -0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.67 2k6l h SER 34 CO 0.05 0.24 -0.51 0.03 -0.53 0.00 0.00 176.83 176.11 2k6l h ARG 35 N 0.58 0.63 -0.60 2.24 3.08 -1.72 -2.29 114.38 116.30 2k6l h ARG 35 Ca 0.37 -0.38 0.06 0.00 0.07 0.00 0.00 59.98 60.10 2k6l h ARG 35 Cb 0.43 0.04 -0.06 0.00 0.08 0.00 0.00 29.97 30.46 2k6l h ARG 35 CO -0.30 0.99 0.29 0.35 -1.07 0.00 0.00 179.97 180.24 2k6l h PHE 36 N 0.50 0.53 -0.02 3.04 3.57 -0.97 -2.08 116.94 121.51 2k6l h PHE 36 Ca 0.02 0.02 -0.20 0.00 3.53 0.00 0.00 57.97 61.34 2k6l h PHE 36 Cb 1.06 -0.15 -0.00 0.00 2.79 0.00 0.00 35.95 39.64 2k6l h PHE 36 CO 0.05 0.23 -0.86 0.97 -2.23 0.00 0.00 178.31 176.47 2k6l h ILE 37 N 0.54 1.43 -0.29 1.41 6.09 -1.42 -2.89 117.51 122.38 2k6l h ILE 37 Ca 0.28 -2.42 0.03 0.00 -1.37 0.00 0.00 64.86 61.38 2k6l h ILE 37 Cb 0.22 2.35 -0.03 0.00 0.47 0.00 0.00 36.82 39.83 2k6l h ILE 37 CO -0.21 0.72 0.09 -0.08 -3.07 0.00 0.00 178.15 175.60 2k6l h GLU 38 N 0.20 0.21 -0.03 2.19 4.81 -0.80 -0.94 114.58 120.22 2k6l h GLU 38 Ca -0.05 -0.01 -0.12 0.00 -0.13 0.00 0.00 59.36 59.04 2k6l h GLU 38 Cb 1.48 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.80 2k6l h GLU 38 CO 0.14 0.14 -0.54 -0.44 -0.73 0.00 0.00 179.01 177.58 2k6l h ASP 39 N 0.21 0.09 -0.20 1.04 3.32 -1.47 -2.50 116.42 116.92 2k6l h ASP 39 Ca 0.13 -0.05 -0.04 0.00 0.02 0.00 0.00 57.03 57.09 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 0.62 -0.03 0.00 -1.72 0.00 0.00 179.24 177.95 2k6l h ALA 40 N 1.39 0.28 -0.13 3.45 0.00 -1.16 -2.36 119.26 120.72 2k6l h ALA 40 Ca -0.00 -0.24 -0.15 0.00 0.00 0.00 0.00 54.91 54.52 2k6l h ALA 40 Cb 0.98 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 2k6l h ALA 40 CO 0.07 0.04 -0.55 -0.39 0.00 0.00 0.00 179.25 178.42 2k6l h VAL 41 N 0.11 1.35 -0.52 0.00 -1.51 -1.20 -3.16 116.25 111.32 2k6l h VAL 41 Ca 0.05 -1.84 -0.06 0.00 -1.23 0.00 0.00 66.70 63.63 2k6l h VAL 41 Cb 0.47 1.85 -0.02 0.00 -2.13 0.00 0.00 31.29 31.46 2k6l h VAL 41 CO 0.02 0.56 0.11 -0.09 -1.23 0.00 0.00 177.57 176.93 2k6l h ARG 42 N 0.30 0.85 -0.85 5.19 2.43 -1.40 -2.25 114.38 118.64 2k6l h ARG 42 Ca 0.00 -0.22 0.05 0.00 -0.81 0.00 0.00 59.98 59.01 2k6l h ARG 42 Cb 1.06 -0.11 -0.06 0.00 -0.42 0.00 0.00 29.97 30.45 2k6l h ARG 42 CO 0.09 0.82 0.54 0.00 -1.51 0.00 0.00 179.97 179.91 2k6l h ALA 43 N 0.99 1.15 -0.49 2.80 0.00 -1.39 -1.26 119.26 121.06 2k6l h ALA 43 Ca 0.16 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.95 2k6l h ALA 43 Cb 0.37 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 2k6l h ALA 43 CO 0.01 0.32 -0.11 1.88 0.00 0.00 0.00 179.25 181.35 2k6l h TYR 44 N 1.01 1.05 0.00 0.00 0.05 -1.49 -2.59 116.97 115.00 2k6l h TYR 44 Ca 0.36 -0.22 -0.04 0.00 0.05 0.00 0.00 58.73 58.87 2k6l h TYR 44 Cb 0.10 -0.26 -0.01 0.00 1.01 0.00 0.00 36.73 37.57 2k6l h TYR 44 CO -0.03 1.01 -0.21 -0.07 -1.05 0.00 0.00 178.16 177.81 2k6l h LEU 45 N 0.79 0.00 -0.08 3.88 3.38 -0.80 -2.15 115.31 120.32 2k6l h LEU 45 Ca 0.12 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.94 2k6l h LEU 45 Cb 0.66 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.42 2k6l h LEU 45 CO 0.05 0.21 -0.54 0.15 0.09 0.00 0.00 178.44 178.39 2k6l h PHE 46 N 0.00 0.71 -0.48 1.13 3.04 -0.94 -1.76 116.94 118.64 2k6l h PHE 46 Ca -0.00 -0.33 -0.12 0.00 3.98 0.00 0.00 57.97 61.50 2k6l h PHE 46 Cb 0.43 -0.10 -0.01 0.00 2.56 0.00 0.00 35.95 38.82 2k6l h PHE 46 CO 0.00 1.11 -0.19 0.93 -2.02 0.00 0.00 178.31 178.15 2k6l h GLU 47 N 0.10 0.95 0.00 1.11 3.07 -1.26 -2.65 114.58 115.89 2k6l h GLU 47 Ca -0.04 -0.38 0.00 0.00 -0.50 0.00 0.00 59.36 58.43 2k6l h GLU 47 Cb 1.20 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 29.07 2k6l h GLU 47 CO 0.11 1.05 0.00 0.54 -1.40 0.00 0.00 179.01 179.31 2k6l n ARG 48 N -4.12 0.23 0.01 2.33 3.00 -0.83 -3.52 116.66 113.75 2k6l n ARG 48 Ca 0.00 0.23 -0.13 0.00 -0.01 0.00 0.00 57.85 57.95 2k6l n ARG 48 Cb 0.44 -1.79 -0.10 0.00 0.00 0.00 0.00 32.46 31.02 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 2.52 -0.05 -0.46 7.54 0.00 -0.94 -3.17 119.26 124.70 2k6l h ALA 49 Ca 0.00 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.63 2k6l h ALA 49 Cb 0.65 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 2k6l h ALA 49 CO 0.00 -0.28 0.12 0.28 0.00 0.00 0.00 179.25 179.37 2k6l h VAL 50 N -0.54 1.20 0.00 0.00 2.07 -1.62 -3.51 116.25 113.84 2k6l h VAL 50 Ca -0.01 -0.68 0.00 0.00 0.82 0.00 0.00 66.70 66.83 2k6l h VAL 50 Cb 0.49 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 30.98 2k6l h VAL 50 CO 0.01 0.25 0.00 -1.84 0.02 0.00 0.00 177.57 176.01