#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k6l n ASN 2 N 0.00 0.00 -4.70 6.12 0.23 -1.26 -5.09 115.26 110.56 2k6l n ASN 2 Ca 0.00 0.00 -0.56 0.00 -0.53 0.00 0.00 54.58 53.49 2k6l n ASN 2 Cb 0.00 0.22 -0.07 0.00 -2.08 0.00 0.00 39.78 37.86 2k6l n ASN 2 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 2k6l n THR 3 N -2.00 0.34 -3.86 5.53 -2.24 -1.26 -4.93 114.28 105.87 2k6l n THR 3 Ca 0.00 -0.06 -0.32 0.00 -2.27 0.00 0.00 64.05 61.40 2k6l n THR 3 Cb 0.00 -1.33 -0.04 0.00 -2.10 0.00 0.00 70.33 66.85 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 3.50 5.35 -0.38 2.28 1.01 -1.26 -5.06 120.40 125.84 2k6l s VAL 4 Ca 0.97 -0.23 -0.25 0.00 0.00 0.00 0.00 61.98 62.47 2k6l s VAL 4 Cb -0.99 -3.61 0.01 0.00 0.00 0.00 0.00 36.38 31.79 2k6l s VAL 4 CO 0.62 0.17 0.87 -0.60 0.00 0.00 0.00 175.10 176.15 2k6l s ARG 5 N -2.39 3.77 -0.12 2.72 3.00 -1.26 -5.03 118.95 119.64 2k6l s ARG 5 Ca 0.34 0.42 -0.07 0.00 -1.00 0.00 0.00 55.73 55.43 2k6l s ARG 5 Cb -0.13 -3.82 -0.04 0.00 0.00 0.00 0.00 34.95 30.96 2k6l s ARG 5 CO 0.25 -0.93 0.13 -1.58 0.00 0.00 0.00 175.30 173.16 2k6l s TRP 6 N 3.34 3.56 -0.20 5.12 0.52 -1.26 -5.08 118.94 124.94 2k6l s TRP 6 Ca 0.35 0.50 0.00 0.00 0.02 0.00 0.00 56.10 56.97 2k6l s TRP 6 Cb -0.12 -1.93 0.05 0.00 -1.15 0.00 0.00 33.47 30.32 2k6l s TRP 6 CO 0.19 0.71 -0.06 1.21 0.02 0.00 0.00 176.95 179.02 2k6l s ASN 7 N -1.00 3.27 0.01 2.95 2.47 -1.26 -5.12 114.94 116.26 2k6l s ASN 7 Ca 0.15 -0.88 -0.03 0.00 0.42 0.00 0.00 52.86 52.52 2k6l s ASN 7 Cb -0.12 -1.04 -0.01 0.00 -1.45 0.00 0.00 41.25 38.63 2k6l s ASN 7 CO 0.04 -0.20 0.04 0.27 -3.72 0.00 0.00 177.10 173.52 2k6l s ILE 8 N 1.52 0.09 -0.15 -5.21 -4.36 -1.26 -5.14 121.20 106.69 2k6l s ILE 8 Ca -0.02 -0.74 -0.05 0.00 -0.26 0.00 0.00 60.65 59.58 2k6l s ILE 8 Cb -0.17 -0.30 -0.04 0.00 1.25 0.00 0.00 42.46 43.20 2k6l s ILE 8 CO -0.07 -0.41 0.04 0.00 0.24 0.00 0.00 174.94 174.74 2k6l s ALA 9 N -1.28 3.38 0.12 2.27 0.00 -1.26 -5.10 121.76 119.89 2k6l s ALA 9 Ca -0.14 -0.76 -0.04 0.00 0.00 0.00 0.00 51.96 51.02 2k6l s ALA 9 Cb -0.08 -1.76 -0.03 0.00 0.00 0.00 0.00 23.12 21.25 2k6l s ALA 9 CO -0.00 0.35 0.12 0.14 0.00 0.00 0.00 175.76 176.37 2k6l s VAL 10 N -0.13 0.11 0.14 0.00 -7.23 -1.26 -5.13 120.40 106.91 2k6l s VAL 10 Ca 0.06 -1.68 -0.30 0.00 -1.81 0.00 0.00 61.98 58.25 2k6l s VAL 10 Cb -0.12 -1.84 -0.07 0.00 0.56 0.00 0.00 36.38 34.91 2k6l s VAL 10 CO 0.01 -0.52 1.22 -0.94 -0.31 0.00 0.00 175.10 174.57 2k6l s SER 11 N -2.99 7.05 0.31 4.85 1.04 -1.26 -4.85 113.70 117.86 2k6l s SER 11 Ca 0.18 2.18 0.11 0.00 0.48 0.00 0.00 55.95 58.90 2k6l s SER 11 Cb 0.06 -2.60 0.62 0.00 0.10 0.00 0.00 66.02 64.20 2k6l s SER 11 CO -0.02 -0.43 1.23 -0.81 0.98 0.00 0.00 173.24 174.19 2k6l n PRO 12 N 3.05 0.08 0.16 4.02 -0.04 -1.26 0.49 135.00 141.51 2k6l n PRO 12 Ca 0.06 0.55 0.03 0.00 -0.04 0.00 0.00 63.50 64.10 2k6l n PRO 12 Cb 0.45 -2.10 0.26 0.00 -0.04 0.00 0.00 33.50 32.06 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 0.40 3.54 3.58 -2.01 -2.99 116.42 118.94 2k6l h ASP 13 Ca 0.00 0.00 -0.22 0.00 0.42 0.00 0.00 57.03 57.23 2k6l h ASP 13 Cb 0.69 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.73 2k6l h ASP 13 CO 0.00 0.48 -0.93 -0.37 -2.88 0.00 0.00 179.24 175.55 2k6l h VAL 14 N 0.00 1.43 -0.08 2.25 -1.51 -0.33 -3.11 116.25 114.90 2k6l h VAL 14 Ca -0.00 -2.50 -0.02 0.00 -1.23 0.00 0.00 66.70 62.95 2k6l h VAL 14 Cb 1.00 2.43 -0.00 0.00 -2.13 0.00 0.00 31.29 32.59 2k6l h VAL 14 CO 0.06 0.74 -0.01 -0.78 -1.23 0.00 0.00 177.57 176.35 2k6l h ASP 15 N 0.20 0.14 -0.67 4.19 3.58 -1.59 -1.15 116.42 121.11 2k6l h ASP 15 Ca -0.07 -0.36 0.07 0.00 0.42 0.00 0.00 57.03 57.10 2k6l h ASP 15 Cb 1.56 -0.04 -0.04 0.00 1.72 0.00 0.00 39.33 42.53 2k6l h ASP 15 CO 0.16 0.47 0.44 0.06 -2.88 0.00 0.00 179.24 177.49 2k6l h GLN 16 N -0.18 0.62 -0.02 0.28 3.07 -1.61 -1.01 115.11 116.26 2k6l h GLN 16 Ca 0.02 -0.04 -0.20 0.00 0.09 0.00 0.00 58.65 58.52 2k6l h GLN 16 Cb 0.40 -0.14 -0.01 0.00 0.08 0.00 0.00 27.48 27.82 2k6l h GLN 16 CO 0.01 0.41 -0.85 0.77 0.09 0.00 0.00 178.83 179.26 2k6l h SER 17 N 0.64 0.39 -0.64 0.06 0.02 -1.45 -3.15 113.55 109.43 2k6l h SER 17 Ca 0.30 -0.30 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 2k6l h SER 17 Cb 0.33 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 62.72 2k6l h SER 17 CO -0.10 1.08 0.37 0.58 -1.14 0.00 0.00 176.83 177.62 2k6l h VAL 18 N 0.18 1.19 -0.41 2.27 2.07 0.10 -1.14 116.25 120.52 2k6l h VAL 18 Ca -0.05 -0.46 -0.01 0.00 0.82 0.00 0.00 66.70 67.00 2k6l h VAL 18 Cb 1.47 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 31.56 2k6l h VAL 18 CO 0.14 0.21 0.20 0.03 0.02 0.00 0.00 177.57 178.17 2k6l h ARG 19 N 0.87 0.58 -0.72 1.57 3.08 -1.46 -2.23 114.38 116.07 2k6l h ARG 19 Ca 0.23 -0.08 -0.01 0.00 0.07 0.00 0.00 59.98 60.19 2k6l h ARG 19 Cb 0.01 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 29.91 2k6l h ARG 19 CO -0.04 0.50 0.42 0.52 -1.07 0.00 0.00 179.97 180.30 2k6l h MET 20 N 0.52 0.98 -0.07 0.04 2.86 -1.45 -1.84 114.93 115.99 2k6l h MET 20 Ca 0.14 -0.10 0.02 0.00 -2.06 0.00 0.00 59.70 57.70 2k6l h MET 20 Cb 0.10 -0.20 -0.02 0.00 0.06 0.00 0.00 31.60 31.54 2k6l h MET 20 CO -0.02 0.71 -0.05 0.35 1.06 0.00 0.00 176.91 178.96 2k6l h PHE 21 N 0.98 -0.13 -0.78 -0.22 3.04 -0.86 -2.33 116.94 116.64 2k6l h PHE 21 Ca 0.26 0.01 -0.02 0.00 3.98 0.00 0.00 57.97 62.19 2k6l h PHE 21 Cb -0.01 0.07 -0.04 0.00 2.56 0.00 0.00 35.95 38.53 2k6l h PHE 21 CO -0.01 -0.09 0.39 -0.84 -2.02 0.00 0.00 178.31 175.74 2k6l h ILE 22 N -0.07 1.24 -0.40 1.41 3.07 -1.20 -1.13 117.51 120.44 2k6l h ILE 22 Ca 0.05 -0.65 0.12 0.00 1.55 0.00 0.00 64.86 65.92 2k6l h ILE 22 Cb 0.13 0.23 -0.02 0.00 -0.27 0.00 0.00 36.82 36.89 2k6l h ILE 22 CO -0.11 0.28 0.29 0.00 -1.05 0.00 0.00 178.15 177.56 2k6l h ALA 23 N 1.33 2.38 0.00 0.16 0.00 -0.81 1.99 119.26 124.30 2k6l h ALA 23 Ca 0.27 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 55.00 2k6l h ALA 23 Cb 0.09 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 2k6l h ALA 23 CO -0.04 -0.49 -0.80 0.00 0.00 0.00 0.00 179.25 177.92 2k6l h ALA 24 N 1.80 0.67 -0.02 0.00 0.00 -0.82 -3.13 119.26 117.76 2k6l h ALA 24 Ca 0.19 -0.72 0.00 0.00 0.00 0.00 0.00 54.91 54.37 2k6l h ALA 24 Cb 0.76 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.43 2k6l h ALA 24 CO -0.00 0.99 -0.23 1.04 0.00 0.00 0.00 179.25 181.05 2k6l n GLN 25 N -3.60 1.78 -1.02 0.00 1.13 0.11 -5.08 117.38 110.70 2k6l n GLN 25 Ca -0.01 -1.47 0.14 0.00 -1.94 0.00 0.00 57.00 53.72 2k6l n GLN 25 Cb 0.77 -1.46 -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 -1.77 0.00 1.08 0.00 0.63 -5.06 105.19 101.45 2k6l n GLY 26 Ca 0.12 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 44.87 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 -3.33 2.07 0.00 -0.02 0.00 -1.26 -4.73 105.19 97.91 2k6l n GLY 27 Ca 0.00 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 44.96 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 -0.95 0.03 3.53 -0.02 0.00 -1.26 -5.13 105.19 101.39 2k6l n GLY 28 Ca 0.00 -0.02 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.36 -0.27 -0.38 1.61 1.74 -1.26 -4.79 116.66 112.96 2k6l n ARG 29 Ca 0.00 -0.02 0.29 0.00 -0.77 0.00 0.00 57.85 57.35 2k6l n ARG 29 Cb 0.00 -2.08 0.56 0.00 -1.02 0.00 0.00 32.46 29.92 2k6l n ARG 29 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 2k6l h LYS 30 N -1.54 0.23 -6.57 5.56 1.57 -2.07 -3.38 116.57 110.36 2k6l h LYS 30 Ca -0.44 -0.01 -0.53 0.00 -1.87 0.00 0.00 60.65 57.80 2k6l h LYS 30 Cb 1.28 -0.05 0.04 0.00 0.08 0.00 0.00 32.23 33.58 2k6l h LYS 30 CO 0.38 0.15 0.91 0.20 -0.57 0.00 0.00 179.45 180.53 2k6l s GLY 31 N -4.10 1.54 0.00 3.86 0.00 -1.26 -4.93 107.32 102.43 2k6l s GLY 31 Ca -0.09 1.35 0.00 0.00 0.00 0.00 0.00 44.72 45.98 2k6l s GLY 31 CO 0.81 2.71 0.00 2.09 0.00 0.00 0.00 173.10 178.70 2k6l n ASP 32 N 4.35 0.00 -0.13 1.64 5.68 -1.26 -4.66 116.55 122.17 2k6l n ASP 32 Ca 0.14 0.00 -0.04 0.00 -0.50 0.00 0.00 54.79 54.40 2k6l n ASP 32 Cb 0.39 0.00 0.17 0.00 -1.14 0.00 0.00 41.12 40.53 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 0.79 -1.63 -2.12 5.85 -1.95 -2.46 115.31 113.80 2k6l h LEU 33 Ca 0.00 -0.16 0.15 0.00 0.84 0.00 0.00 57.88 58.70 2k6l h LEU 33 Cb 0.00 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 40.78 2k6l h LEU 33 CO 0.00 0.81 0.49 -1.28 -0.34 0.00 0.00 178.44 178.12 2k6l h SER 34 N 0.80 0.34 -0.04 1.25 0.87 -1.96 0.02 113.55 114.84 2k6l h SER 34 Ca 0.17 0.02 -0.14 0.00 -1.23 0.00 0.00 61.79 60.60 2k6l h SER 34 Cb 0.37 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.27 2k6l h SER 34 CO 0.01 0.18 -0.44 -0.09 -0.53 0.00 0.00 176.83 175.95 2k6l h ARG 35 N 0.37 0.58 -0.49 2.24 9.65 -1.76 -2.05 114.38 122.91 2k6l h ARG 35 Ca 0.35 -0.31 0.05 0.00 -1.10 0.00 0.00 59.98 58.97 2k6l h ARG 35 Cb 0.85 0.02 -0.05 0.00 -1.39 0.00 0.00 29.97 29.40 2k6l h ARG 35 CO -0.10 0.91 0.21 0.35 2.80 0.00 0.00 179.97 184.14 2k6l h PHE 36 N 0.47 0.38 -0.04 2.20 3.57 -0.98 -1.49 116.94 121.05 2k6l h PHE 36 Ca 0.03 0.02 -0.23 0.00 3.53 0.00 0.00 57.97 61.33 2k6l h PHE 36 Cb 0.96 -0.10 0.01 0.00 2.79 0.00 0.00 35.95 39.61 2k6l h PHE 36 CO 0.04 0.16 -0.91 0.97 -2.23 0.00 0.00 178.31 176.34 2k6l h ILE 37 N 0.41 1.35 -0.31 1.41 -0.00 -1.50 -2.86 117.51 116.02 2k6l h ILE 37 Ca 0.22 -2.28 0.03 0.00 -0.00 0.00 0.00 64.86 62.84 2k6l h ILE 37 Cb 0.19 2.29 -0.03 0.00 -0.00 0.00 0.00 36.82 39.27 2k6l h ILE 37 CO -0.20 0.69 0.10 -0.08 -0.00 0.00 0.00 178.15 178.67 2k6l h GLU 38 N 0.33 0.23 -0.04 2.19 4.22 -0.92 -0.92 114.58 119.66 2k6l h GLU 38 Ca -0.08 -0.01 -0.09 0.00 0.08 0.00 0.00 59.36 59.26 2k6l h GLU 38 Cb 1.54 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.73 2k6l h GLU 38 CO 0.17 0.15 -0.39 0.22 -2.18 0.00 0.00 179.01 176.98 2k6l h ASP 39 N 0.23 0.09 -0.24 1.04 1.82 -1.35 -2.05 116.42 115.96 2k6l h ASP 39 Ca 0.14 -0.04 -0.04 0.00 -0.39 0.00 0.00 57.03 56.70 2k6l h ASP 39 Cb 0.11 -0.03 -0.01 0.00 0.68 0.00 0.00 39.33 40.09 2k6l h ASP 39 CO -0.14 0.48 0.00 0.00 -1.61 0.00 0.00 179.24 177.97 2k6l h ALA 40 N 1.53 0.33 -0.14 -0.78 0.00 -1.07 -2.06 119.26 117.06 2k6l h ALA 40 Ca 0.01 -0.22 -0.15 0.00 0.00 0.00 0.00 54.91 54.55 2k6l h ALA 40 Cb 0.73 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 2k6l h ALA 40 CO 0.05 0.06 -0.54 -0.39 0.00 0.00 0.00 179.25 178.43 2k6l h VAL 41 N 0.20 1.34 -0.46 0.00 -1.51 -1.10 -2.93 116.25 111.80 2k6l h VAL 41 Ca 0.07 -1.81 -0.06 0.00 -1.23 0.00 0.00 66.70 63.67 2k6l h VAL 41 Cb 0.41 1.82 -0.02 0.00 -2.13 0.00 0.00 31.29 31.38 2k6l h VAL 41 CO 0.01 0.55 0.05 -0.09 -1.23 0.00 0.00 177.57 176.87 2k6l h ARG 42 N 0.32 0.77 -0.53 5.19 2.43 -1.29 -1.34 114.38 119.94 2k6l h ARG 42 Ca 0.01 -0.22 -0.02 0.00 -0.81 0.00 0.00 59.98 58.94 2k6l h ARG 42 Cb 1.05 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.49 2k6l h ARG 42 CO 0.09 0.80 0.26 0.00 -1.51 0.00 0.00 179.97 179.62 2k6l h ALA 43 N 0.94 0.68 -0.49 2.80 0.00 -1.34 -1.54 119.26 120.31 2k6l h ALA 43 Ca 0.14 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 2k6l h ALA 43 Cb 0.42 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2k6l h ALA 43 CO 0.01 0.24 0.08 1.88 0.00 0.00 0.00 179.25 181.47 2k6l h TYR 44 N 0.71 0.86 -0.47 0.00 0.05 -1.39 -2.02 116.97 114.71 2k6l h TYR 44 Ca 0.18 -0.12 -0.03 0.00 0.05 0.00 0.00 58.73 58.82 2k6l h TYR 44 Cb 0.11 -0.24 -0.02 0.00 1.01 0.00 0.00 36.73 37.59 2k6l h TYR 44 CO -0.01 0.79 0.18 -0.07 -1.05 0.00 0.00 178.16 178.00 2k6l h LEU 45 N 0.68 0.61 -0.18 3.88 3.38 -1.01 -1.86 115.31 120.82 2k6l h LEU 45 Ca 0.15 -0.07 -0.08 0.00 0.09 0.00 0.00 57.88 57.97 2k6l h LEU 45 Cb 0.39 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 2k6l h LEU 45 CO 0.01 0.57 -0.19 0.15 0.09 0.00 0.00 178.44 179.06 2k6l h PHE 46 N 0.67 0.54 -0.40 1.13 3.04 -0.98 -2.13 116.94 118.81 2k6l h PHE 46 Ca 0.16 -0.17 -0.00 0.00 3.98 0.00 0.00 57.97 61.94 2k6l h PHE 46 Cb 0.15 -0.11 -0.02 0.00 2.56 0.00 0.00 35.95 38.53 2k6l h PHE 46 CO 0.01 0.82 0.24 1.49 -2.02 0.00 0.00 178.31 178.85 2k6l h GLU 47 N 0.10 0.53 0.00 1.11 4.81 -1.11 -1.41 114.58 118.62 2k6l h GLU 47 Ca 0.03 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 2k6l h GLU 47 Cb 0.74 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.01 2k6l h GLU 47 CO 0.05 0.39 0.00 0.00 -0.73 0.00 0.00 179.01 178.72 2k6l h ARG 48 N 0.52 0.00 0.05 1.92 2.47 -1.35 -2.24 114.38 115.74 2k6l h ARG 48 Ca 0.14 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.86 2k6l h ARG 48 Cb -0.01 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.31 2k6l h ARG 48 CO -0.03 0.00 -0.02 0.00 0.56 0.00 0.00 179.97 180.48 2k6l h ALA 49 N 2.12 -0.06 0.03 0.04 0.00 -0.54 -3.22 119.26 117.63 2k6l h ALA 49 Ca 0.00 -0.17 -0.22 0.00 0.00 0.00 0.00 54.91 54.52 2k6l h ALA 49 Cb 0.38 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 2k6l h ALA 49 CO 0.00 -0.36 -1.02 -0.24 0.00 0.00 0.00 179.25 177.62 2k6l h VAL 50 N -0.41 1.63 0.00 0.00 3.04 -1.49 -3.52 116.25 115.51 2k6l h VAL 50 Ca -0.01 -3.20 0.00 0.00 -1.01 0.00 0.00 66.70 62.49 2k6l h VAL 50 Cb 0.37 2.80 0.00 0.00 -2.01 0.00 0.00 31.29 32.45 2k6l h VAL 50 CO 0.01 0.92 0.00 -0.62 -1.01 0.00 0.00 177.57 176.87