#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 2.56 -0.10 6.12 3.04 -1.26 -5.13 114.94 120.17 2k6l s ASN 2 Ca 0.00 -0.63 -0.14 0.00 0.04 0.00 0.00 52.86 52.14 2k6l s ASN 2 Cb 0.00 -0.17 -0.05 0.00 -1.54 0.00 0.00 41.25 39.49 2k6l s ASN 2 CO 0.00 0.11 0.33 0.42 -3.04 0.00 0.00 177.10 174.92 2k6l s THR 3 N -1.01 5.23 0.04 -5.21 -4.23 -1.26 -5.08 115.64 104.12 2k6l s THR 3 Ca 0.07 0.64 -0.01 0.00 -1.18 0.00 0.00 61.69 61.22 2k6l s THR 3 Cb -0.10 -3.65 -0.04 0.00 1.34 0.00 0.00 72.50 70.05 2k6l s THR 3 CO 0.03 0.46 0.19 -0.69 -0.54 0.00 0.00 174.62 174.07 2k6l s VAL 4 N -0.14 5.31 -0.17 2.29 1.01 -1.26 -5.09 120.40 122.34 2k6l s VAL 4 Ca 0.20 -0.35 -0.08 0.00 0.00 0.00 0.00 61.98 61.75 2k6l s VAL 4 Cb -0.14 -3.55 -0.04 0.00 0.00 0.00 0.00 36.38 32.65 2k6l s VAL 4 CO 0.07 0.21 0.11 -0.60 0.00 0.00 0.00 175.10 174.89 2k6l s ARG 5 N -2.29 3.93 -0.17 2.72 3.52 -1.26 -5.08 118.95 120.32 2k6l s ARG 5 Ca 0.32 -0.25 -0.01 0.00 -0.13 0.00 0.00 55.73 55.66 2k6l s ARG 5 Cb -0.13 -3.28 0.05 0.00 -1.56 0.00 0.00 34.95 30.02 2k6l s ARG 5 CO 0.24 0.40 -0.03 -1.58 -0.81 0.00 0.00 175.30 173.53 2k6l s TRP 6 N 0.03 1.54 -0.25 5.12 0.52 -1.26 -5.10 118.94 119.54 2k6l s TRP 6 Ca 0.08 -1.03 -0.08 0.00 0.02 0.00 0.00 56.10 55.09 2k6l s TRP 6 Cb -0.12 -1.24 -0.03 0.00 -1.15 0.00 0.00 33.47 30.94 2k6l s TRP 6 CO -0.00 -0.61 0.08 1.21 0.02 0.00 0.00 176.95 177.65 2k6l s ASN 7 N 1.69 5.18 0.14 2.95 3.04 -1.26 -5.08 114.94 121.59 2k6l s ASN 7 Ca -0.00 -0.22 0.01 0.00 0.04 0.00 0.00 52.86 52.69 2k6l s ASN 7 Cb -0.16 -1.93 -0.04 0.00 -1.54 0.00 0.00 41.25 37.58 2k6l s ASN 7 CO -0.07 -0.04 -0.01 0.27 -3.04 0.00 0.00 177.10 174.20 2k6l s ILE 8 N 1.62 0.58 -0.23 -5.21 -4.36 -1.26 -5.13 121.20 107.20 2k6l s ILE 8 Ca 0.06 -1.95 -0.13 0.00 -0.26 0.00 0.00 60.65 58.37 2k6l s ILE 8 Cb -0.15 -1.97 -0.04 0.00 1.25 0.00 0.00 42.46 41.54 2k6l s ILE 8 CO 0.04 -0.60 0.29 0.00 0.24 0.00 0.00 174.94 174.92 2k6l s ALA 9 N -3.72 3.58 0.12 2.27 0.00 -1.26 -5.07 121.76 117.68 2k6l s ALA 9 Ca 0.20 -0.75 -0.01 0.00 0.00 0.00 0.00 51.96 51.40 2k6l s ALA 9 Cb 0.06 -2.53 -0.04 0.00 0.00 0.00 0.00 23.12 20.62 2k6l s ALA 9 CO 0.01 -0.35 0.04 0.14 0.00 0.00 0.00 175.76 175.60 2k6l s VAL 10 N 1.39 0.15 0.22 0.00 -7.23 -1.26 -5.13 120.40 108.54 2k6l s VAL 10 Ca 0.13 -1.89 -0.30 0.00 -1.81 0.00 0.00 61.98 58.11 2k6l s VAL 10 Cb -0.15 -1.94 -0.08 0.00 0.56 0.00 0.00 36.38 34.77 2k6l s VAL 10 CO 0.07 -0.58 0.99 -0.55 -0.31 0.00 0.00 175.10 174.73 2k6l s SER 11 N -3.03 7.51 0.00 4.85 0.15 -1.26 -4.85 113.70 117.07 2k6l s SER 11 Ca 0.21 2.00 0.00 0.00 0.70 0.00 0.00 55.95 58.85 2k6l s SER 11 Cb 0.08 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.78 2k6l s SER 11 CO -0.01 0.02 0.54 -0.81 1.20 0.00 0.00 173.24 174.18 2k6l n PRO 12 N 1.78 0.00 0.18 5.44 -0.04 -1.26 -0.26 135.00 140.84 2k6l n PRO 12 Ca -0.00 0.14 0.05 0.00 -0.04 0.00 0.00 63.50 63.65 2k6l n PRO 12 Cb 0.47 -1.65 0.29 0.00 -0.04 0.00 0.00 33.50 32.57 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 -0.08 3.54 1.82 -2.00 -2.89 116.42 116.81 2k6l h ASP 13 Ca 0.00 0.00 -0.16 0.00 -0.39 0.00 0.00 57.03 56.48 2k6l h ASP 13 Cb 0.30 0.00 0.01 0.00 0.68 0.00 0.00 39.33 40.32 2k6l h ASP 13 CO 0.00 0.40 -0.58 -0.37 -1.61 0.00 0.00 179.24 177.09 2k6l h VAL 14 N 0.00 1.36 -0.07 2.25 -1.51 -1.00 -2.26 116.25 115.03 2k6l h VAL 14 Ca -0.00 -1.91 -0.01 0.00 -1.23 0.00 0.00 66.70 63.54 2k6l h VAL 14 Cb 0.96 2.26 -0.00 0.00 -2.13 0.00 0.00 31.29 32.38 2k6l h VAL 14 CO 0.05 0.57 -0.01 -0.78 -1.23 0.00 0.00 177.57 176.17 2k6l h ASP 15 N 0.13 0.13 -0.79 4.19 1.82 -1.72 -1.40 116.42 118.77 2k6l h ASP 15 Ca -0.05 -0.36 0.04 0.00 -0.39 0.00 0.00 57.03 56.27 2k6l h ASP 15 Cb 1.23 -0.04 -0.05 0.00 0.68 0.00 0.00 39.33 41.16 2k6l h ASP 15 CO 0.12 0.46 0.50 1.56 -1.61 0.00 0.00 179.24 180.27 2k6l h GLN 16 N -0.20 0.95 -0.67 0.28 1.08 -1.60 -1.97 115.11 112.98 2k6l h GLN 16 Ca 0.02 -0.06 -0.08 0.00 -1.45 0.00 0.00 58.65 57.08 2k6l h GLN 16 Cb 0.40 -0.21 -0.03 0.00 -0.05 0.00 0.00 27.48 27.59 2k6l h GLN 16 CO 0.01 0.63 0.09 0.66 -0.95 0.00 0.00 178.83 179.26 2k6l h SER 17 N 0.97 1.08 -0.69 1.46 4.64 -1.32 -2.65 113.55 117.05 2k6l h SER 17 Ca 0.32 -0.27 -0.00 0.00 -0.47 0.00 0.00 61.79 61.37 2k6l h SER 17 Cb 0.03 -0.29 -0.03 0.00 -0.31 0.00 0.00 62.40 61.80 2k6l h SER 17 CO -0.12 1.07 0.41 0.58 -0.87 0.00 0.00 176.83 177.90 2k6l h VAL 18 N 1.04 1.20 -0.41 0.95 2.07 -0.56 -1.00 116.25 119.53 2k6l h VAL 18 Ca 0.20 -0.44 -0.02 0.00 0.82 0.00 0.00 66.70 67.26 2k6l h VAL 18 Cb 0.46 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 30.47 2k6l h VAL 18 CO 0.02 0.21 0.18 0.03 0.02 0.00 0.00 177.57 178.02 2k6l h ARG 19 N 0.93 0.61 -0.58 1.57 3.08 -1.20 -2.09 114.38 116.69 2k6l h ARG 19 Ca 0.25 -0.10 -0.04 0.00 0.07 0.00 0.00 59.98 60.16 2k6l h ARG 19 Cb -0.02 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 29.90 2k6l h ARG 19 CO -0.05 0.55 0.23 0.52 -1.07 0.00 0.00 179.97 180.15 2k6l h MET 20 N 0.52 0.88 0.09 0.04 2.86 -1.19 -2.25 114.93 115.88 2k6l h MET 20 Ca 0.14 -0.16 -0.00 0.00 -2.06 0.00 0.00 59.70 57.62 2k6l h MET 20 Cb 0.16 -0.14 -0.00 0.00 0.06 0.00 0.00 31.60 31.68 2k6l h MET 20 CO -0.01 0.76 -0.06 0.35 1.06 0.00 0.00 176.91 179.00 2k6l h PHE 21 N 0.81 -0.16 -0.78 -0.22 3.57 -0.95 -2.53 116.94 116.66 2k6l h PHE 21 Ca 0.19 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.70 2k6l h PHE 21 Cb 0.21 0.06 -0.04 0.00 2.79 0.00 0.00 35.95 38.97 2k6l h PHE 21 CO 0.01 -0.10 0.51 -0.84 -2.23 0.00 0.00 178.31 175.66 2k6l h ILE 22 N -0.15 1.21 -0.33 1.41 -0.00 -1.31 -0.45 117.51 117.89 2k6l h ILE 22 Ca -0.00 -0.40 0.09 0.00 -0.00 0.00 0.00 64.86 64.55 2k6l h ILE 22 Cb 0.14 0.06 -0.01 0.00 -0.00 0.00 0.00 36.82 37.01 2k6l h ILE 22 CO -0.00 0.20 0.28 0.00 -0.00 0.00 0.00 178.15 178.64 2k6l h ALA 23 N 1.49 2.13 0.00 0.16 0.00 -0.98 1.11 119.26 123.17 2k6l h ALA 23 Ca 0.29 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 55.03 2k6l h ALA 23 Cb -0.10 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 2k6l h ALA 23 CO -0.06 -0.45 -0.72 0.00 0.00 0.00 0.00 179.25 178.02 2k6l h ALA 24 N 1.74 0.72 -0.02 0.00 0.00 -0.88 -3.13 119.26 117.69 2k6l h ALA 24 Ca 0.16 -0.65 0.00 0.00 0.00 0.00 0.00 54.91 54.41 2k6l h ALA 24 Cb 0.72 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.40 2k6l h ALA 24 CO -0.00 0.90 -0.22 0.94 0.00 0.00 0.00 179.25 180.87 2k6l n GLN 25 N -3.55 1.77 0.00 0.00 7.27 0.15 -5.04 117.38 117.99 2k6l n GLN 25 Ca -0.00 -1.46 0.00 0.00 0.07 0.00 0.00 57.00 55.61 2k6l n GLN 25 Cb 0.73 -1.45 0.00 0.00 2.41 0.00 0.00 30.24 31.93 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 1.34 1.14 0.00 1.69 0.00 0.33 -5.07 105.19 104.62 2k6l n GLY 26 Ca 0.11 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.41 3.48 -0.02 0.00 -1.22 -3.94 105.19 103.08 2k6l n GLY 27 Ca 0.00 -1.11 -0.10 0.00 0.00 0.00 0.00 46.02 44.81 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 -0.53 0.01 -0.02 0.00 -1.26 -5.04 107.32 100.48 2k6l s GLY 28 Ca 0.00 0.60 -0.04 0.00 0.00 0.00 0.00 44.72 45.28 2k6l s GLY 28 CO 0.00 0.20 -0.08 0.54 0.00 0.00 0.00 173.10 173.76 2k6l n ARG 29 N -0.35 0.12 0.00 2.90 1.74 -1.26 -4.94 116.66 114.88 2k6l n ARG 29 Ca -0.13 0.05 0.00 0.00 -0.77 0.00 0.00 57.85 57.00 2k6l n ARG 29 Cb 0.64 -0.71 0.00 0.00 -1.02 0.00 0.00 32.46 31.36 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 -3.57 0.00 -1.72 5.56 4.76 -1.26 -4.73 118.16 117.20 2k6l n LYS 30 Ca -0.06 0.00 -0.39 0.00 -2.87 0.00 0.00 58.31 54.99 2k6l n LYS 30 Cb 0.27 0.00 -0.03 0.00 -1.84 0.00 0.00 35.03 33.43 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 0.07 0.00 0.72 0.00 -1.26 -4.73 107.32 102.12 2k6l s GLY 31 Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 44.72 44.82 2k6l s GLY 31 CO 0.00 3.80 0.00 1.34 0.00 0.00 0.00 173.10 178.24 2k6l n ASP 32 N 13.56 0.00 -0.05 1.64 -0.08 -1.26 -4.71 116.55 125.65 2k6l n ASP 32 Ca 0.30 0.00 -0.11 0.00 -1.51 0.00 0.00 54.79 53.47 2k6l n ASP 32 Cb 0.51 0.00 -0.04 0.00 2.34 0.00 0.00 41.12 43.92 2k6l n ASP 32 CO 0.00 0.00 0.00 0.17 0.12 0.00 0.00 177.20 177.49 2k6l h LEU 33 N 0.00 0.26 -1.04 -2.67 8.10 -1.94 -1.72 115.31 116.30 2k6l h LEU 33 Ca 0.00 -0.15 0.13 0.00 0.11 0.00 0.00 57.88 57.97 2k6l h LEU 33 Cb 0.00 -0.07 -0.09 0.00 -0.44 0.00 0.00 40.66 40.07 2k6l h LEU 33 CO 0.00 0.34 0.63 -1.28 -4.11 0.00 0.00 178.44 174.02 2k6l h SER 34 N 0.16 0.89 -0.17 0.17 0.87 -1.92 -0.72 113.55 112.83 2k6l h SER 34 Ca 0.06 0.05 -0.16 0.00 -1.23 0.00 0.00 61.79 60.51 2k6l h SER 34 Cb 0.16 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 61.99 2k6l h SER 34 CO -0.01 0.46 -0.47 -0.09 -0.53 0.00 0.00 176.83 176.19 2k6l h ARG 35 N 0.95 0.74 -0.55 2.24 2.43 -1.78 -2.33 114.38 116.08 2k6l h ARG 35 Ca 0.50 -0.43 0.04 0.00 -0.81 0.00 0.00 59.98 59.28 2k6l h ARG 35 Cb 0.54 0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 30.08 2k6l h ARG 35 CO -0.27 1.05 0.31 0.35 -1.51 0.00 0.00 179.97 179.90 2k6l h PHE 36 N 0.59 0.57 -0.14 2.20 3.57 -0.22 -2.24 116.94 121.27 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 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 39.60 2k6l h PHE 36 CO 0.05 0.30 -0.72 0.97 -2.23 0.00 0.00 178.31 176.68 2k6l h ILE 37 N 0.60 1.32 -0.30 1.41 2.10 -1.40 -2.85 117.51 118.40 2k6l h ILE 37 Ca 0.24 -2.00 0.04 0.00 1.08 0.00 0.00 64.86 64.21 2k6l h ILE 37 Cb 0.10 1.98 -0.03 0.00 -1.09 0.00 0.00 36.82 37.78 2k6l h ILE 37 CO -0.14 0.62 0.09 -0.33 -1.08 0.00 0.00 178.15 177.31 2k6l h GLU 38 N 0.44 0.21 -0.06 2.19 4.39 -1.03 -0.83 114.58 119.88 2k6l h GLU 38 Ca -0.03 -0.01 -0.09 0.00 0.34 0.00 0.00 59.36 59.57 2k6l h GLU 38 Cb 1.32 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.91 2k6l h GLU 38 CO 0.14 0.14 -0.37 0.22 -1.16 0.00 0.00 179.01 177.98 2k6l h ASP 39 N 0.22 0.13 -0.20 1.42 1.82 -1.47 -1.62 116.42 116.72 2k6l h ASP 39 Ca 0.14 -0.05 -0.04 0.00 -0.39 0.00 0.00 57.03 56.68 2k6l h ASP 39 Cb 0.12 -0.04 -0.01 0.00 0.68 0.00 0.00 39.33 40.08 2k6l h ASP 39 CO -0.15 0.49 -0.05 0.00 -1.61 0.00 0.00 179.24 177.93 2k6l h ALA 40 N 1.51 0.27 -0.13 -0.78 0.00 -1.08 -2.14 119.26 116.93 2k6l h ALA 40 Ca 0.01 -0.25 -0.17 0.00 0.00 0.00 0.00 54.91 54.50 2k6l h ALA 40 Cb 0.71 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 2k6l h ALA 40 CO 0.05 0.05 -0.64 -0.39 0.00 0.00 0.00 179.25 178.33 2k6l h VAL 41 N 0.10 1.35 -0.59 0.00 -1.51 -1.11 -3.09 116.25 111.41 2k6l h VAL 41 Ca 0.05 -1.96 -0.07 0.00 -1.23 0.00 0.00 66.70 63.49 2k6l h VAL 41 Cb 0.49 1.94 -0.02 0.00 -2.13 0.00 0.00 31.29 31.57 2k6l h VAL 41 CO 0.02 0.60 0.09 -0.09 -1.23 0.00 0.00 177.57 176.95 2k6l h ARG 42 N 0.34 0.95 -0.53 5.19 9.65 -1.26 -1.31 114.38 127.41 2k6l h ARG 42 Ca -0.01 -0.24 -0.05 0.00 -1.10 0.00 0.00 59.98 58.58 2k6l h ARG 42 Cb 1.19 -0.12 -0.02 0.00 -1.39 0.00 0.00 29.97 29.63 2k6l h ARG 42 CO 0.11 0.89 0.14 0.00 2.80 0.00 0.00 179.97 183.91 2k6l h ALA 43 N 1.19 0.70 -0.27 2.80 0.00 -1.34 -1.50 119.26 120.83 2k6l h ALA 43 Ca 0.18 -0.21 -0.11 0.00 0.00 0.00 0.00 54.91 54.77 2k6l h ALA 43 Cb 0.41 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 2k6l h ALA 43 CO 0.01 0.39 -0.27 1.88 0.00 0.00 0.00 179.25 181.26 2k6l h TYR 44 N 0.74 0.78 -0.25 0.00 -1.99 -1.43 -2.76 116.97 112.05 2k6l h TYR 44 Ca 0.17 -0.24 -0.04 0.00 2.00 0.00 0.00 58.73 60.62 2k6l h TYR 44 Cb 0.33 -0.16 -0.01 0.00 2.00 0.00 0.00 36.73 38.88 2k6l h TYR 44 CO 0.02 0.96 -0.02 -0.07 -0.00 0.00 0.00 178.16 179.06 2k6l h LEU 45 N 0.38 0.35 -0.42 3.88 3.38 -1.15 -2.29 115.31 119.43 2k6l h LEU 45 Ca 0.04 -0.06 -0.16 0.00 0.09 0.00 0.00 57.88 57.80 2k6l h LEU 45 Cb 0.83 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 2k6l h LEU 45 CO 0.07 0.43 -0.41 2.19 0.09 0.00 0.00 178.44 180.80 2k6l h PHE 46 N 0.37 1.05 -0.41 1.13 -5.15 -1.18 -1.44 116.94 111.31 2k6l h PHE 46 Ca 0.08 -0.32 -0.11 0.00 -0.20 0.00 0.00 57.97 57.42 2k6l h PHE 46 Cb 0.28 -0.22 -0.02 0.00 0.22 0.00 0.00 35.95 36.21 2k6l h PHE 46 CO 0.01 1.13 -0.18 0.93 -2.00 0.00 0.00 178.31 178.20 2k6l h GLU 47 N 0.71 0.79 0.00 6.09 5.08 -1.18 -2.26 114.58 123.81 2k6l h GLU 47 Ca 0.05 -0.30 -0.08 0.00 -1.00 0.00 0.00 59.36 58.04 2k6l h GLU 47 Cb 1.00 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.19 2k6l h GLU 47 CO 0.10 0.91 -0.38 -0.09 -1.00 0.00 0.00 179.01 178.55 2k6l h ARG 48 N 0.70 0.00 0.02 2.33 9.65 -1.36 -3.07 114.38 122.64 2k6l h ARG 48 Ca 0.10 0.00 -0.24 0.00 -1.10 0.00 0.00 59.98 58.75 2k6l h ARG 48 Cb 0.68 0.00 0.01 0.00 -1.39 0.00 0.00 29.97 29.27 2k6l h ARG 48 CO 0.05 0.38 -0.99 0.00 2.80 0.00 0.00 179.97 182.21 2k6l h ALA 49 N 1.62 0.29 -0.13 2.80 0.00 -0.97 -3.25 119.26 119.62 2k6l h ALA 49 Ca -0.00 -0.72 -0.14 0.00 0.00 0.00 0.00 54.91 54.04 2k6l h ALA 49 Cb 1.12 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 2k6l h ALA 49 CO 0.05 0.80 -0.54 0.28 0.00 0.00 0.00 179.25 179.85 2k6l h VAL 50 N 0.24 1.34 -0.01 0.00 2.07 -1.43 -3.51 116.25 114.95 2k6l h VAL 50 Ca -0.10 -1.81 0.00 0.00 0.82 0.00 0.00 66.70 65.62 2k6l h VAL 50 Cb 1.64 1.83 0.00 0.00 -1.52 0.00 0.00 31.29 33.24 2k6l h VAL 50 CO 0.18 0.55 0.00 -0.62 0.02 0.00 0.00 177.57 177.69