#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 2.93 0.40 6.12 -0.87 -1.26 -5.11 114.94 117.15 2k6l s ASN 2 Ca 0.00 -0.79 -0.25 0.00 -1.57 0.00 0.00 52.86 50.25 2k6l s ASN 2 Cb 0.00 -0.73 -0.11 0.00 -0.02 0.00 0.00 41.25 40.40 2k6l s ASN 2 CO 0.00 -0.27 1.11 0.35 -2.57 0.00 0.00 177.10 175.73 2k6l n THR 3 N 4.97 2.39 -3.88 1.60 -2.24 -1.26 -4.97 114.28 110.89 2k6l n THR 3 Ca -0.10 -0.50 -0.32 0.00 -2.27 0.00 0.00 64.05 60.86 2k6l n THR 3 Cb 0.47 -1.30 -0.04 0.00 -2.10 0.00 0.00 70.33 67.36 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 -1.21 5.37 -0.20 2.28 1.01 -1.26 -5.09 120.40 121.29 2k6l s VAL 4 Ca 0.61 -0.25 -0.10 0.00 0.00 0.00 0.00 61.98 62.25 2k6l s VAL 4 Cb -0.56 -3.61 -0.05 0.00 0.00 0.00 0.00 36.38 32.17 2k6l s VAL 4 CO 0.58 0.18 0.12 -0.13 0.00 0.00 0.00 175.10 175.86 2k6l s ARG 5 N -2.35 4.13 -0.20 2.72 0.52 -1.26 -5.07 118.95 117.43 2k6l s ARG 5 Ca 0.34 -0.25 0.01 0.00 -0.52 0.00 0.00 55.73 55.31 2k6l s ARG 5 Cb -0.13 -3.41 0.04 0.00 0.52 0.00 0.00 34.95 31.98 2k6l s ARG 5 CO 0.25 0.25 -0.10 -1.58 0.02 0.00 0.00 175.30 174.14 2k6l s TRP 6 N 0.48 2.42 -0.27 -0.53 0.52 -1.26 -5.09 118.94 115.21 2k6l s TRP 6 Ca 0.07 -1.62 -0.07 0.00 0.02 0.00 0.00 56.10 54.51 2k6l s TRP 6 Cb -0.12 -1.64 -0.01 0.00 -1.15 0.00 0.00 33.47 30.56 2k6l s TRP 6 CO -0.01 -0.75 0.07 1.21 0.02 0.00 0.00 176.95 177.50 2k6l s ASN 7 N 1.39 5.08 0.04 2.95 3.84 -1.26 -5.08 114.94 121.90 2k6l s ASN 7 Ca -0.02 -0.46 0.00 0.00 0.21 0.00 0.00 52.86 52.59 2k6l s ASN 7 Cb -0.17 -1.89 -0.03 0.00 -0.55 0.00 0.00 41.25 38.61 2k6l s ASN 7 CO -0.08 -0.11 -0.04 0.27 -2.79 0.00 0.00 177.10 174.35 2k6l s ILE 8 N 1.55 0.28 -0.13 -5.21 -4.36 -1.26 -5.14 121.20 106.93 2k6l s ILE 8 Ca 0.05 -1.37 -0.10 0.00 -0.26 0.00 0.00 60.65 58.97 2k6l s ILE 8 Cb -0.16 -0.91 -0.05 0.00 1.25 0.00 0.00 42.46 42.59 2k6l s ILE 8 CO 0.03 -0.70 0.20 0.00 0.24 0.00 0.00 174.94 174.71 2k6l s ALA 9 N -2.55 3.77 0.12 2.27 0.00 -1.26 -5.09 121.76 119.02 2k6l s ALA 9 Ca -0.04 -0.56 -0.02 0.00 0.00 0.00 0.00 51.96 51.33 2k6l s ALA 9 Cb -0.02 -2.14 -0.03 0.00 0.00 0.00 0.00 23.12 20.93 2k6l s ALA 9 CO -0.04 0.42 0.08 0.14 0.00 0.00 0.00 175.76 176.36 2k6l s VAL 10 N -0.52 0.12 0.38 0.00 -7.23 -1.26 -5.14 120.40 106.75 2k6l s VAL 10 Ca 0.15 -1.78 -0.25 0.00 -1.81 0.00 0.00 61.98 58.29 2k6l s VAL 10 Cb -0.13 -1.87 -0.09 0.00 0.56 0.00 0.00 36.38 34.85 2k6l s VAL 10 CO 0.04 -0.56 1.03 -0.55 -0.31 0.00 0.00 175.10 174.76 2k6l s SER 11 N -3.00 6.90 0.00 4.85 0.15 -1.26 -4.86 113.70 116.48 2k6l s SER 11 Ca 0.19 2.02 0.00 0.00 0.70 0.00 0.00 55.95 58.86 2k6l s SER 11 Cb 0.07 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.79 2k6l s SER 11 CO -0.02 -0.39 0.67 -0.81 1.20 0.00 0.00 173.24 173.89 2k6l n PRO 12 N 0.13 0.00 0.10 5.44 -0.04 -1.26 -1.36 135.00 138.01 2k6l n PRO 12 Ca 0.04 0.20 -0.05 0.00 -0.04 0.00 0.00 63.50 63.65 2k6l n PRO 12 Cb 0.49 -1.53 0.10 0.00 -0.04 0.00 0.00 33.50 32.53 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 0.17 -0.08 3.54 3.32 -2.00 -2.49 116.42 118.90 2k6l h ASP 13 Ca 0.00 -0.11 -0.14 0.00 0.02 0.00 0.00 57.03 56.79 2k6l h ASP 13 Cb 0.05 -0.05 0.01 0.00 0.22 0.00 0.00 39.33 39.56 2k6l h ASP 13 CO 0.00 0.80 -0.51 -0.37 -1.72 0.00 0.00 179.24 177.44 2k6l h VAL 14 N 0.10 1.38 -0.13 -1.35 -1.51 -1.59 -2.45 116.25 110.70 2k6l h VAL 14 Ca -0.01 -1.88 -0.02 0.00 -1.23 0.00 0.00 66.70 63.56 2k6l h VAL 14 Cb 1.21 2.30 -0.01 0.00 -2.13 0.00 0.00 31.29 32.67 2k6l h VAL 14 CO 0.10 0.56 0.02 -0.78 -1.23 0.00 0.00 177.57 176.24 2k6l h ASP 15 N 0.05 0.21 -0.47 4.19 3.58 -1.69 -1.13 116.42 121.16 2k6l h ASP 15 Ca -0.04 -0.25 0.04 0.00 0.42 0.00 0.00 57.03 57.20 2k6l h ASP 15 Cb 1.17 -0.06 -0.04 0.00 1.72 0.00 0.00 39.33 42.13 2k6l h ASP 15 CO 0.11 0.41 0.22 -0.61 -2.88 0.00 0.00 179.24 176.48 2k6l h GLN 16 N 0.00 0.42 -0.42 0.28 5.75 -1.52 -1.27 115.11 118.35 2k6l h GLN 16 Ca 0.04 -0.03 -0.05 0.00 -0.15 0.00 0.00 58.65 58.46 2k6l h GLN 16 Cb 0.29 -0.10 -0.02 0.00 1.07 0.00 0.00 27.48 28.72 2k6l h GLN 16 CO 0.00 0.28 0.05 0.77 -2.65 0.00 0.00 178.83 177.28 2k6l h SER 17 N 0.44 0.61 -0.27 -0.69 0.02 -1.33 -2.69 113.55 109.63 2k6l h SER 17 Ca 0.21 -0.11 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 2k6l h SER 17 Cb 0.14 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.51 2k6l h SER 17 CO -0.16 0.65 0.18 0.58 -1.14 0.00 0.00 176.83 176.93 2k6l h VAL 18 N 0.62 1.07 -0.01 2.27 2.07 -0.07 -1.43 116.25 120.77 2k6l h VAL 18 Ca 0.13 -0.13 -0.01 0.00 0.82 0.00 0.00 66.70 67.52 2k6l h VAL 18 Cb 0.32 0.67 -0.00 0.00 -1.52 0.00 0.00 31.29 30.76 2k6l h VAL 18 CO 0.01 0.07 -0.05 0.03 0.02 0.00 0.00 177.57 177.64 2k6l h ARG 19 N 0.36 0.01 -0.36 1.57 3.08 -1.09 -2.01 114.38 115.94 2k6l h ARG 19 Ca 0.10 -0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.08 2k6l h ARG 19 Cb -0.04 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 2k6l h ARG 19 CO -0.02 0.07 -0.04 0.52 -1.07 0.00 0.00 179.97 179.42 2k6l h MET 20 N 0.01 0.66 0.08 0.04 2.86 -0.97 -1.69 114.93 115.93 2k6l h MET 20 Ca 0.00 -0.23 -0.00 0.00 -2.06 0.00 0.00 59.70 57.41 2k6l h MET 20 Cb 0.10 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 31.71 2k6l h MET 20 CO 0.01 0.80 -0.04 0.35 1.06 0.00 0.00 176.91 179.09 2k6l h PHE 21 N 0.47 -0.10 -0.48 -0.22 3.04 -0.73 -2.35 116.94 116.57 2k6l h PHE 21 Ca 0.10 -0.00 -0.01 0.00 3.98 0.00 0.00 57.97 62.04 2k6l h PHE 21 Cb 0.53 0.03 -0.02 0.00 2.56 0.00 0.00 35.95 39.05 2k6l h PHE 21 CO 0.04 0.01 0.27 -0.84 -2.02 0.00 0.00 178.31 175.78 2k6l h ILE 22 N -0.19 1.16 -0.83 1.41 -0.00 -1.49 -1.85 117.51 115.73 2k6l h ILE 22 Ca -0.01 -0.40 0.13 0.00 -0.00 0.00 0.00 64.86 64.58 2k6l h ILE 22 Cb 0.16 0.55 -0.06 0.00 -0.00 0.00 0.00 36.82 37.47 2k6l h ILE 22 CO 0.02 0.17 0.54 0.00 -0.00 0.00 0.00 178.15 178.88 2k6l h ALA 23 N 1.12 1.89 0.00 0.16 0.00 -1.17 1.04 119.26 122.30 2k6l h ALA 23 Ca 0.17 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 2k6l h ALA 23 Cb 0.03 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2k6l h ALA 23 CO -0.03 -0.10 -0.44 0.00 0.00 0.00 0.00 179.25 178.68 2k6l h ALA 24 N 1.61 0.92 -0.02 0.00 0.00 -0.83 -2.87 119.26 118.07 2k6l h ALA 24 Ca 0.40 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2k6l h ALA 24 Cb 0.68 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.40 2k6l h ALA 24 CO -0.16 0.55 -0.18 0.94 0.00 0.00 0.00 179.25 180.40 2k6l n GLN 25 N -3.50 1.63 -3.11 0.00 7.27 0.13 -5.02 117.38 114.78 2k6l n GLN 25 Ca 0.00 -1.24 -0.00 0.00 0.07 0.00 0.00 57.00 55.83 2k6l n GLN 25 Cb 0.57 -1.47 -0.00 0.00 2.41 0.00 0.00 30.24 31.75 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 1.33 -0.78 0.00 1.69 0.00 0.31 -4.99 105.19 102.76 2k6l n GLY 26 Ca 0.13 0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.24 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 1.20 3.87 3.54 -0.02 0.00 -1.25 -5.04 105.19 107.48 2k6l n GLY 27 Ca -0.00 -0.46 -0.25 0.00 0.00 0.00 0.00 46.02 45.31 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 0.00 2.46 -0.10 -0.02 0.00 -1.26 -5.06 107.32 103.34 2k6l s GLY 28 Ca 0.00 -1.51 0.14 0.00 0.00 0.00 0.00 44.72 43.35 2k6l s GLY 28 CO 0.00 -1.91 1.12 0.54 0.00 0.00 0.00 173.10 172.85 2k6l n ARG 29 N -0.89 0.96 0.00 2.90 1.74 -1.26 -4.87 116.66 115.24 2k6l n ARG 29 Ca -0.07 -2.25 0.00 0.00 -0.77 0.00 0.00 57.85 54.76 2k6l n ARG 29 Cb 0.66 -1.22 0.00 0.00 -1.02 0.00 0.00 32.46 30.88 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 -0.99 0.00 -2.37 5.56 5.02 -1.26 -4.83 118.16 119.28 2k6l n LYS 30 Ca 0.12 0.00 -0.16 0.00 -2.02 0.00 0.00 58.31 56.25 2k6l n LYS 30 Cb 0.68 0.00 0.03 0.00 -0.02 0.00 0.00 35.03 35.72 2k6l n LYS 30 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2k6l n GLY 31 N 2.57 4.58 0.00 0.72 0.00 -1.26 -4.79 105.19 107.01 2k6l n GLY 31 Ca 0.00 -2.08 0.13 0.00 0.00 0.00 0.00 46.02 44.07 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 -0.60 0.00 -0.02 1.61 5.68 -1.26 -3.58 116.55 118.37 2k6l n ASP 32 Ca 0.29 -0.74 -0.13 0.00 -0.50 0.00 0.00 54.79 53.72 2k6l n ASP 32 Cb 0.87 -0.03 -0.10 0.00 -1.14 0.00 0.00 41.12 40.72 2k6l n ASP 32 CO 0.00 0.00 0.00 -0.07 -1.33 0.00 0.00 177.20 175.80 2k6l h LEU 33 N 0.00 0.05 -1.65 -2.12 4.07 -1.97 -2.75 115.31 110.94 2k6l h LEU 33 Ca 0.00 -0.50 0.14 0.00 0.08 0.00 0.00 57.88 57.60 2k6l h LEU 33 Cb 0.03 -0.01 -0.04 0.00 1.08 0.00 0.00 40.66 41.71 2k6l h LEU 33 CO 0.00 0.54 0.47 -1.28 -1.08 0.00 0.00 178.44 177.09 2k6l h SER 34 N -0.44 0.33 -0.11 -0.43 0.87 -1.98 -0.23 113.55 111.55 2k6l h SER 34 Ca 0.00 0.02 -0.17 0.00 -1.23 0.00 0.00 61.79 60.41 2k6l h SER 34 Cb 0.53 -0.05 -0.00 0.00 -0.44 0.00 0.00 62.40 62.43 2k6l h SER 34 CO 0.00 0.18 -0.55 0.03 -0.53 0.00 0.00 176.83 175.96 2k6l h ARG 35 N 0.36 0.70 -0.49 2.24 2.47 -1.73 -2.46 114.38 115.46 2k6l h ARG 35 Ca 0.34 -0.44 0.05 0.00 -1.26 0.00 0.00 59.98 58.66 2k6l h ARG 35 Cb 0.82 0.05 -0.05 0.00 -1.65 0.00 0.00 29.97 29.14 2k6l h ARG 35 CO -0.09 1.06 0.22 0.35 0.56 0.00 0.00 179.97 182.07 2k6l h PHE 36 N 0.54 0.41 -0.20 3.04 3.04 -0.74 -2.08 116.94 120.95 2k6l h PHE 36 Ca 0.01 0.02 -0.18 0.00 3.98 0.00 0.00 57.97 61.80 2k6l h PHE 36 Cb 1.12 -0.11 -0.00 0.00 2.56 0.00 0.00 35.95 39.52 2k6l h PHE 36 CO 0.06 0.18 -0.60 0.97 -2.02 0.00 0.00 178.31 176.90 2k6l h ILE 37 N 0.44 1.31 -0.32 1.41 -0.00 -1.50 -2.60 117.51 116.24 2k6l h ILE 37 Ca 0.22 -1.85 0.04 0.00 -0.00 0.00 0.00 64.86 63.28 2k6l h ILE 37 Cb 0.17 1.80 -0.04 0.00 -0.00 0.00 0.00 36.82 38.75 2k6l h ILE 37 CO -0.18 0.58 0.09 -0.33 -0.00 0.00 0.00 178.15 178.31 2k6l h GLU 38 N 0.49 0.21 -0.04 2.19 5.08 -0.94 -0.96 114.58 120.61 2k6l h GLU 38 Ca -0.00 -0.01 -0.12 0.00 -1.00 0.00 0.00 59.36 58.23 2k6l h GLU 38 Cb 1.18 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.37 2k6l h GLU 38 CO 0.12 0.14 -0.51 -0.44 -1.00 0.00 0.00 179.01 177.32 2k6l h ASP 39 N 0.22 0.12 -0.22 1.42 5.19 -1.42 -2.75 116.42 118.97 2k6l h ASP 39 Ca 0.15 -0.06 -0.03 0.00 -0.62 0.00 0.00 57.03 56.47 2k6l h ASP 39 Cb 0.14 -0.03 -0.01 0.00 0.18 0.00 0.00 39.33 39.61 2k6l h ASP 39 CO -0.17 0.61 0.04 0.00 -3.12 0.00 0.00 179.24 176.59 2k6l h ALA 40 N 1.40 0.30 -0.22 3.45 0.00 -0.92 -2.96 119.26 120.30 2k6l h ALA 40 Ca 0.00 -0.18 -0.12 0.00 0.00 0.00 0.00 54.91 54.62 2k6l h ALA 40 Cb 0.93 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 2k6l h ALA 40 CO 0.07 -0.02 -0.35 -0.39 0.00 0.00 0.00 179.25 178.55 2k6l h VAL 41 N 0.17 1.29 -0.84 0.00 -1.51 -1.19 -3.07 116.25 111.11 2k6l h VAL 41 Ca 0.07 -1.46 0.03 0.00 -1.23 0.00 0.00 66.70 64.11 2k6l h VAL 41 Cb 0.32 1.51 -0.05 0.00 -2.13 0.00 0.00 31.29 30.94 2k6l h VAL 41 CO 0.00 0.46 0.54 0.03 -1.23 0.00 0.00 177.57 177.37 2k6l h ARG 42 N 0.40 1.02 -0.77 5.19 2.47 -1.39 -1.08 114.38 120.23 2k6l h ARG 42 Ca 0.04 -0.06 -0.05 0.00 -1.26 0.00 0.00 59.98 58.65 2k6l h ARG 42 Cb 0.81 -0.23 -0.03 0.00 -1.65 0.00 0.00 29.97 28.87 2k6l h ARG 42 CO 0.07 0.68 0.27 0.00 0.56 0.00 0.00 179.97 181.55 2k6l h ALA 43 N 1.35 1.03 0.01 0.04 0.00 -1.43 -1.84 119.26 118.42 2k6l h ALA 43 Ca 0.33 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 2k6l h ALA 43 Cb -0.00 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.49 2k6l h ALA 43 CO -0.11 0.67 -0.01 1.88 0.00 0.00 0.00 179.25 181.68 2k6l h TYR 44 N 1.13 -0.01 -0.88 0.00 0.05 -1.42 -2.76 116.97 113.08 2k6l h TYR 44 Ca 0.25 -0.00 0.06 0.00 0.05 0.00 0.00 58.73 59.09 2k6l h TYR 44 Cb 0.26 0.00 -0.06 0.00 1.01 0.00 0.00 36.73 37.95 2k6l h TYR 44 CO 0.02 0.48 0.58 -0.07 -1.05 0.00 0.00 178.16 178.12 2k6l h LEU 45 N -0.52 0.90 -0.35 3.88 3.38 -1.17 -2.35 115.31 119.08 2k6l h LEU 45 Ca -0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 2k6l h LEU 45 Cb 0.50 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 2k6l h LEU 45 CO 0.00 0.59 0.07 0.15 0.09 0.00 0.00 178.44 179.35 2k6l h PHE 46 N 1.03 0.60 -0.85 1.13 3.57 -1.33 -1.26 116.94 119.83 2k6l h PHE 46 Ca 0.37 -0.08 0.10 0.00 3.53 0.00 0.00 57.97 61.89 2k6l h PHE 46 Cb 0.15 -0.17 -0.07 0.00 2.79 0.00 0.00 35.95 38.65 2k6l h PHE 46 CO -0.00 0.61 0.49 1.49 -2.23 0.00 0.00 178.31 178.68 2k6l h GLU 47 N 0.42 0.80 0.00 1.11 4.81 -1.12 0.43 114.58 121.02 2k6l h GLU 47 Ca 0.11 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 2k6l h GLU 47 Cb 0.32 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.52 2k6l h GLU 47 CO 0.00 0.53 -0.03 0.54 -0.73 0.00 0.00 179.01 179.32 2k6l n ARG 48 N -4.72 0.16 -0.03 1.92 1.74 -1.07 -3.73 116.66 110.92 2k6l n ARG 48 Ca 0.14 0.13 -0.12 0.00 -0.77 0.00 0.00 57.85 57.23 2k6l n ARG 48 Cb 0.28 -1.68 -0.07 0.00 -1.02 0.00 0.00 32.46 29.98 2k6l n ARG 48 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2k6l h ALA 49 N 2.71 0.15 0.02 7.54 0.00 0.32 -3.18 119.26 126.83 2k6l h ALA 49 Ca 0.00 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 2k6l h ALA 49 Cb 0.65 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2k6l h ALA 49 CO 0.00 -0.18 -0.01 0.28 0.00 0.00 0.00 179.25 179.34 2k6l h VAL 50 N -0.05 1.02 0.00 0.00 2.07 -1.63 -3.51 116.25 114.15 2k6l h VAL 50 Ca 0.03 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.43 2k6l h VAL 50 Cb 0.31 1.11 0.00 0.00 -1.52 0.00 0.00 31.29 31.19 2k6l h VAL 50 CO 0.00 0.03 0.00 1.21 0.02 0.00 0.00 177.57 178.84