#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 7.83 0.23 -1.26 -5.11 115.26 112.26 2k6l n ASN 2 Ca 0.00 -1.00 -0.43 0.00 -0.53 0.00 0.00 54.58 52.62 2k6l n ASN 2 Cb 0.00 0.00 -0.01 0.00 -2.08 0.00 0.00 39.78 37.69 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 0.00 1.78 -3.90 5.53 -2.24 -1.26 -4.98 114.28 109.22 2k6l n THR 3 Ca 0.00 -0.45 -0.32 0.00 -2.27 0.00 0.00 64.05 61.02 2k6l n THR 3 Cb 0.45 -1.60 -0.04 0.00 -2.10 0.00 0.00 70.33 67.04 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 -0.88 5.38 -0.44 2.28 1.01 -1.26 -5.06 120.40 121.44 2k6l s VAL 4 Ca 0.58 -0.30 -0.23 0.00 0.00 0.00 0.00 61.98 62.02 2k6l s VAL 4 Cb -0.57 -3.61 0.02 0.00 0.00 0.00 0.00 36.38 32.22 2k6l s VAL 4 CO 0.60 0.17 0.77 -0.60 0.00 0.00 0.00 175.10 176.04 2k6l s ARG 5 N -2.40 3.43 0.02 2.72 6.06 -1.26 -5.03 118.95 122.48 2k6l s ARG 5 Ca 0.34 -0.09 -0.12 0.00 -2.50 0.00 0.00 55.73 53.36 2k6l s ARG 5 Cb -0.13 -3.93 -0.05 0.00 0.06 0.00 0.00 34.95 30.90 2k6l s ARG 5 CO 0.26 -1.08 0.37 -1.58 -2.50 0.00 0.00 175.30 170.77 2k6l s TRP 6 N 3.22 3.66 -0.19 5.12 0.52 -1.26 -5.07 118.94 124.93 2k6l s TRP 6 Ca 0.29 0.85 -0.00 0.00 0.02 0.00 0.00 56.10 57.26 2k6l s TRP 6 Cb -0.12 -2.19 0.05 0.00 -1.15 0.00 0.00 33.47 30.05 2k6l s TRP 6 CO 0.22 0.61 -0.06 1.21 0.02 0.00 0.00 176.95 178.95 2k6l s ASN 7 N -1.35 3.24 0.01 2.95 2.47 -1.26 -5.12 114.94 115.87 2k6l s ASN 7 Ca 0.26 -0.86 -0.02 0.00 0.42 0.00 0.00 52.86 52.66 2k6l s ASN 7 Cb -0.15 -1.04 -0.01 0.00 -1.45 0.00 0.00 41.25 38.60 2k6l s ASN 7 CO 0.14 -0.20 0.03 0.27 -3.72 0.00 0.00 177.10 173.63 2k6l s ILE 8 N 1.53 0.09 -0.20 -5.21 -4.36 -1.26 -5.14 121.20 106.65 2k6l s ILE 8 Ca -0.02 -0.72 -0.08 0.00 -0.26 0.00 0.00 60.65 59.57 2k6l s ILE 8 Cb -0.17 -0.29 -0.04 0.00 1.25 0.00 0.00 42.46 43.21 2k6l s ILE 8 CO -0.07 -0.40 0.09 0.00 0.24 0.00 0.00 174.94 174.80 2k6l s ALA 9 N -1.24 3.49 0.13 2.27 0.00 -1.26 -5.09 121.76 120.06 2k6l s ALA 9 Ca -0.13 -0.76 -0.03 0.00 0.00 0.00 0.00 51.96 51.03 2k6l s ALA 9 Cb -0.08 -2.03 -0.03 0.00 0.00 0.00 0.00 23.12 20.97 2k6l s ALA 9 CO -0.00 0.11 0.10 0.14 0.00 0.00 0.00 175.76 176.10 2k6l s VAL 10 N 0.49 0.11 0.43 0.00 -7.23 -1.26 -5.14 120.40 107.80 2k6l s VAL 10 Ca 0.05 -1.76 -0.23 0.00 -1.81 0.00 0.00 61.98 58.23 2k6l s VAL 10 Cb -0.12 -1.91 -0.09 0.00 0.56 0.00 0.00 36.38 34.82 2k6l s VAL 10 CO 0.00 -0.50 1.06 -0.44 -0.31 0.00 0.00 175.10 174.91 2k6l s SER 11 N -3.01 6.59 0.00 4.85 0.01 -1.26 -4.89 113.70 115.99 2k6l s SER 11 Ca 0.20 2.04 0.05 0.00 1.31 0.00 0.00 55.95 59.55 2k6l s SER 11 Cb 0.07 -2.58 0.22 0.00 0.21 0.00 0.00 66.02 63.93 2k6l s SER 11 CO -0.01 -0.61 1.15 -0.81 0.41 0.00 0.00 173.24 173.38 2k6l n PRO 12 N -0.34 0.00 0.17 12.44 -0.04 -1.26 -1.52 135.00 144.45 2k6l n PRO 12 Ca 0.06 0.40 0.03 0.00 -0.04 0.00 0.00 63.50 63.96 2k6l n PRO 12 Cb 0.50 -1.50 0.27 0.00 -0.04 0.00 0.00 33.50 32.73 2k6l n PRO 12 CO 0.00 0.00 0.00 0.38 -0.04 0.00 0.00 175.50 175.84 2k6l h ASP 13 N 0.00 0.00 0.49 3.54 2.03 -2.02 -3.04 116.42 117.43 2k6l h ASP 13 Ca 0.00 0.00 -0.18 0.00 -0.73 0.00 0.00 57.03 56.12 2k6l h ASP 13 Cb 0.09 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.57 2k6l h ASP 13 CO 0.00 0.46 -0.77 -0.37 -1.03 0.00 0.00 179.24 177.53 2k6l h VAL 14 N 0.00 1.45 -0.11 4.15 -1.51 -1.65 -3.12 116.25 115.46 2k6l h VAL 14 Ca -0.00 -2.36 -0.02 0.00 -1.23 0.00 0.00 66.70 63.08 2k6l h VAL 14 Cb 0.98 2.28 -0.00 0.00 -2.13 0.00 0.00 31.29 32.41 2k6l h VAL 14 CO 0.06 0.69 -0.02 -0.78 -1.23 0.00 0.00 177.57 176.29 2k6l h ASP 15 N 0.14 0.21 -0.96 4.19 1.82 -1.65 -2.62 116.42 117.55 2k6l h ASP 15 Ca -0.03 -0.35 0.07 0.00 -0.39 0.00 0.00 57.03 56.33 2k6l h ASP 15 Cb 1.35 -0.06 -0.06 0.00 0.68 0.00 0.00 39.33 41.24 2k6l h ASP 15 CO 0.12 0.51 0.62 1.56 -1.61 0.00 0.00 179.24 180.44 2k6l h GLN 16 N -0.10 1.07 -0.67 0.28 1.08 -1.60 -1.43 115.11 113.73 2k6l h GLN 16 Ca 0.03 -0.06 -0.06 0.00 -1.45 0.00 0.00 58.65 57.11 2k6l h GLN 16 Cb 0.41 -0.24 -0.03 0.00 -0.05 0.00 0.00 27.48 27.57 2k6l h GLN 16 CO 0.01 0.71 0.19 0.77 -0.95 0.00 0.00 178.83 179.56 2k6l h SER 17 N 1.10 0.97 -0.61 1.46 0.02 -1.46 -2.61 113.55 112.42 2k6l h SER 17 Ca 0.41 -0.18 0.01 0.00 -0.84 0.00 0.00 61.79 61.20 2k6l h SER 17 Cb 0.19 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.44 2k6l h SER 17 CO -0.16 0.91 0.39 0.58 -1.14 0.00 0.00 176.83 177.42 2k6l h VAL 18 N 0.99 1.12 -0.48 2.27 2.07 -0.88 -1.21 116.25 120.14 2k6l h VAL 18 Ca 0.22 -0.27 -0.03 0.00 0.82 0.00 0.00 66.70 67.43 2k6l h VAL 18 Cb 0.30 0.26 -0.02 0.00 -1.52 0.00 0.00 31.29 30.32 2k6l h VAL 18 CO -0.01 0.14 0.18 -0.09 0.02 0.00 0.00 177.57 177.82 2k6l h ARG 19 N 0.79 0.72 -0.57 1.57 9.65 -1.24 -2.28 114.38 123.02 2k6l h ARG 19 Ca 0.23 -0.14 -0.01 0.00 -1.10 0.00 0.00 59.98 58.96 2k6l h ARG 19 Cb -0.05 -0.11 -0.03 0.00 -1.39 0.00 0.00 29.97 28.39 2k6l h ARG 19 CO -0.07 0.66 0.31 0.52 2.80 0.00 0.00 179.97 184.19 2k6l h MET 20 N 0.63 0.79 0.00 0.20 2.86 -1.10 -1.72 114.93 116.59 2k6l h MET 20 Ca 0.16 -0.09 0.01 0.00 -2.06 0.00 0.00 59.70 57.71 2k6l h MET 20 Cb 0.22 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 31.71 2k6l h MET 20 CO -0.01 0.60 -0.03 0.35 1.06 0.00 0.00 176.91 178.88 2k6l h PHE 21 N 0.77 -0.08 -0.85 -0.22 3.57 -1.01 -2.54 116.94 116.57 2k6l h PHE 21 Ca 0.20 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.70 2k6l h PHE 21 Cb 0.04 0.04 -0.04 0.00 2.79 0.00 0.00 35.95 38.78 2k6l h PHE 21 CO -0.01 -0.06 0.51 -0.84 -2.23 0.00 0.00 178.31 175.68 2k6l h ILE 22 N -0.06 1.23 -0.39 1.41 3.07 -1.26 -1.08 117.51 120.43 2k6l h ILE 22 Ca 0.01 -0.50 0.11 0.00 1.55 0.00 0.00 64.86 66.04 2k6l h ILE 22 Cb 0.08 0.04 -0.02 0.00 -0.27 0.00 0.00 36.82 36.65 2k6l h ILE 22 CO -0.04 0.24 0.33 0.00 -1.05 0.00 0.00 178.15 177.64 2k6l h ALA 23 N 1.40 2.20 0.00 0.16 0.00 -0.89 0.66 119.26 122.79 2k6l h ALA 23 Ca 0.30 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 55.09 2k6l h ALA 23 Cb -0.06 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 2k6l h ALA 23 CO -0.06 -0.53 -0.52 0.00 0.00 0.00 0.00 179.25 178.14 2k6l h ALA 24 N 1.70 0.81 -0.40 0.00 0.00 -1.03 -3.05 119.26 117.29 2k6l h ALA 24 Ca 0.18 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2k6l h ALA 24 Cb 0.85 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.56 2k6l h ALA 24 CO -0.00 0.65 0.00 1.04 0.00 0.00 0.00 179.25 180.94 2k6l n GLN 25 N -3.44 3.52 -0.76 0.00 6.02 0.20 -5.02 117.38 117.91 2k6l n GLN 25 Ca 0.00 -2.85 -0.34 0.00 -0.01 0.00 0.00 57.00 53.81 2k6l n GLN 25 Cb 0.65 -1.90 -0.06 0.00 1.02 0.00 0.00 30.24 29.95 2k6l n GLN 25 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2k6l n GLY 26 N 0.09 -0.02 2.09 1.08 0.00 0.53 -4.60 105.19 104.36 2k6l n GLY 26 Ca 0.22 0.58 0.00 0.00 0.00 0.00 0.00 46.02 46.83 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 3.43 -1.35 3.56 -0.02 0.00 -1.26 -5.09 105.19 104.46 2k6l n GLY 27 Ca 0.25 0.28 -0.28 0.00 0.00 0.00 0.00 46.02 46.28 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 -2.46 2.79 -0.02 -0.02 0.00 -1.26 -5.06 107.32 101.29 2k6l s GLY 28 Ca 0.00 -0.97 0.03 0.00 0.00 0.00 0.00 44.72 43.79 2k6l s GLY 28 CO 0.00 -1.89 0.92 0.54 0.00 0.00 0.00 173.10 172.67 2k6l n ARG 29 N -1.01 1.86 0.00 2.90 1.74 -1.26 -5.01 116.66 115.88 2k6l n ARG 29 Ca -0.09 -1.44 0.00 0.00 -0.77 0.00 0.00 57.85 55.56 2k6l n ARG 29 Cb 0.65 -0.95 0.00 0.00 -1.02 0.00 0.00 32.46 31.14 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 -0.52 0.00 -1.64 5.56 4.76 -1.26 -4.67 118.16 120.39 2k6l n LYS 30 Ca 0.03 0.00 -0.48 0.00 -2.87 0.00 0.00 58.31 54.99 2k6l n LYS 30 Cb 0.40 0.00 -0.04 0.00 -1.84 0.00 0.00 35.03 33.55 2k6l n LYS 30 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2k6l n GLY 31 N 0.00 0.78 0.00 0.72 0.00 -1.26 -4.92 105.19 100.51 2k6l n GLY 31 Ca 0.00 0.63 0.00 0.00 0.00 0.00 0.00 46.02 46.65 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 2.82 0.00 -0.03 1.61 8.00 -1.26 -4.68 116.55 123.00 2k6l n ASP 32 Ca 0.16 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.53 2k6l n ASP 32 Cb 0.26 0.00 -0.11 0.00 -0.02 0.00 0.00 41.12 41.25 2k6l n ASP 32 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 2k6l h LEU 33 N 0.00 0.07 -0.59 0.64 7.12 -1.99 -2.33 115.31 118.23 2k6l h LEU 33 Ca 0.00 -0.65 0.09 0.00 0.13 0.00 0.00 57.88 57.45 2k6l h LEU 33 Cb 0.00 -0.02 -0.07 0.00 -0.53 0.00 0.00 40.66 40.04 2k6l h LEU 33 CO 0.00 0.71 0.20 0.28 -0.13 0.00 0.00 178.44 179.50 2k6l h SER 34 N -0.57 0.17 -0.35 1.25 0.02 -1.98 -1.83 113.55 110.27 2k6l h SER 34 Ca -0.00 0.08 -0.17 0.00 -0.84 0.00 0.00 61.79 60.86 2k6l h SER 34 Cb 0.71 0.07 -0.00 0.00 0.14 0.00 0.00 62.40 63.32 2k6l h SER 34 CO 0.01 0.11 -0.44 0.03 -1.14 0.00 0.00 176.83 175.40 2k6l h ARG 35 N 0.37 0.91 -0.39 3.45 2.47 -1.84 -1.38 114.38 117.97 2k6l h ARG 35 Ca 0.30 -0.52 0.06 0.00 -1.26 0.00 0.00 59.98 58.56 2k6l h ARG 35 Cb 0.38 0.04 -0.05 0.00 -1.65 0.00 0.00 29.97 28.68 2k6l h ARG 35 CO -0.31 1.16 0.10 0.35 0.56 0.00 0.00 179.97 181.83 2k6l h PHE 36 N 0.72 0.17 -0.04 3.04 3.57 -0.80 -1.32 116.94 122.28 2k6l h PHE 36 Ca 0.04 0.02 -0.23 0.00 3.53 0.00 0.00 57.97 61.33 2k6l h PHE 36 Cb 1.04 -0.02 0.01 0.00 2.79 0.00 0.00 35.95 39.77 2k6l h PHE 36 CO 0.07 0.04 -0.92 0.97 -2.23 0.00 0.00 178.31 176.24 2k6l h ILE 37 N 0.24 1.33 -0.29 1.41 -0.00 -1.36 -2.89 117.51 115.95 2k6l h ILE 37 Ca 0.18 -2.25 0.03 0.00 -0.00 0.00 0.00 64.86 62.83 2k6l h ILE 37 Cb 0.20 2.28 -0.03 0.00 -0.00 0.00 0.00 36.82 39.27 2k6l h ILE 37 CO -0.22 0.69 0.09 -0.08 -0.00 0.00 0.00 178.15 178.62 2k6l h GLU 38 N 0.35 0.20 -0.06 2.19 4.22 -0.85 -0.94 114.58 119.69 2k6l h GLU 38 Ca -0.09 -0.01 -0.10 0.00 0.08 0.00 0.00 59.36 59.24 2k6l h GLU 38 Cb 1.55 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.74 2k6l h GLU 38 CO 0.17 0.13 -0.43 -0.44 -2.18 0.00 0.00 179.01 176.27 2k6l h ASP 39 N 0.21 0.14 -0.21 1.04 3.32 -1.33 -1.73 116.42 117.86 2k6l h ASP 39 Ca 0.13 -0.06 -0.04 0.00 0.02 0.00 0.00 57.03 57.08 2k6l h ASP 39 Cb 0.11 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 2k6l h ASP 39 CO -0.15 0.56 -0.02 0.00 -1.72 0.00 0.00 179.24 177.91 2k6l h ALA 40 N 1.45 0.29 -0.11 3.45 0.00 -1.14 -2.43 119.26 120.76 2k6l h ALA 40 Ca 0.01 -0.23 -0.17 0.00 0.00 0.00 0.00 54.91 54.52 2k6l h ALA 40 Cb 0.80 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 2k6l h ALA 40 CO 0.06 0.04 -0.63 -0.39 0.00 0.00 0.00 179.25 178.32 2k6l h VAL 41 N 0.14 1.36 -0.69 0.00 -1.51 -1.14 -3.14 116.25 111.26 2k6l h VAL 41 Ca 0.06 -1.97 -0.05 0.00 -1.23 0.00 0.00 66.70 63.51 2k6l h VAL 41 Cb 0.44 1.96 -0.03 0.00 -2.13 0.00 0.00 31.29 31.53 2k6l h VAL 41 CO 0.01 0.60 0.25 -0.09 -1.23 0.00 0.00 177.57 177.11 2k6l h ARG 42 N 0.30 1.04 -0.59 5.19 2.43 -1.26 -1.21 114.38 120.28 2k6l h ARG 42 Ca -0.01 -0.19 -0.04 0.00 -0.81 0.00 0.00 59.98 58.92 2k6l h ARG 42 Cb 1.18 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 30.54 2k6l h ARG 42 CO 0.11 0.87 0.19 0.00 -1.51 0.00 0.00 179.97 179.63 2k6l h ALA 43 N 1.26 0.77 -0.12 2.80 0.00 -1.39 -1.23 119.26 121.34 2k6l h ALA 43 Ca 0.23 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 2k6l h ALA 43 Cb 0.24 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 2k6l h ALA 43 CO -0.01 0.42 -0.18 1.88 0.00 0.00 0.00 179.25 181.36 2k6l h TYR 44 N 0.82 0.42 -0.32 0.00 -1.99 -1.47 -2.21 116.97 112.22 2k6l h TYR 44 Ca 0.19 -0.14 -0.03 0.00 2.00 0.00 0.00 58.73 60.75 2k6l h TYR 44 Cb 0.27 -0.08 -0.02 0.00 2.00 0.00 0.00 36.73 38.90 2k6l h TYR 44 CO 0.02 0.78 0.08 -0.07 -0.00 0.00 0.00 178.16 178.97 2k6l h LEU 45 N -0.07 0.42 -0.12 3.88 3.38 -1.18 -1.57 115.31 120.05 2k6l h LEU 45 Ca 0.01 -0.05 -0.20 0.00 0.09 0.00 0.00 57.88 57.73 2k6l h LEU 45 Cb 0.74 -0.11 0.01 0.00 0.09 0.00 0.00 40.66 41.39 2k6l h LEU 45 CO 0.04 0.43 -0.69 0.15 0.09 0.00 0.00 178.44 178.46 2k6l h PHE 46 N 0.46 0.93 -0.55 1.13 3.57 -1.19 -2.36 116.94 118.94 2k6l h PHE 46 Ca 0.11 -0.42 -0.08 0.00 3.53 0.00 0.00 57.97 61.11 2k6l h PHE 46 Cb 0.18 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 38.76 2k6l h PHE 46 CO 0.01 1.24 0.04 1.49 -2.23 0.00 0.00 178.31 178.86 2k6l h GLU 47 N 0.36 0.94 0.00 1.11 4.22 -1.10 -2.51 114.58 117.60 2k6l h GLU 47 Ca -0.05 -0.28 -0.03 0.00 0.08 0.00 0.00 59.36 59.08 2k6l h GLU 47 Cb 1.33 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 30.48 2k6l h GLU 47 CO 0.14 0.93 -0.13 -0.09 -2.18 0.00 0.00 179.01 177.68 2k6l h ARG 48 N 0.82 0.00 0.11 1.92 2.43 -1.33 -3.00 114.38 115.33 2k6l h ARG 48 Ca 0.16 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.33 2k6l h ARG 48 Cb 0.48 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.03 2k6l h ARG 48 CO 0.02 0.13 -0.05 0.00 -1.51 0.00 0.00 179.97 178.56 2k6l h ALA 49 N 1.87 -0.14 -0.02 2.80 0.00 -0.97 -3.26 119.26 119.53 2k6l h ALA 49 Ca -0.00 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 2k6l h ALA 49 Cb 0.65 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 2k6l h ALA 49 CO 0.02 -0.37 0.01 0.28 0.00 0.00 0.00 179.25 179.19 2k6l h VAL 50 N -0.57 1.05 -0.03 0.00 2.07 -1.52 -3.52 116.25 113.74 2k6l h VAL 50 Ca -0.01 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.37 2k6l h VAL 50 Cb 0.46 1.10 0.00 0.00 -1.52 0.00 0.00 31.29 31.32 2k6l h VAL 50 CO 0.02 0.04 0.00 1.21 0.02 0.00 0.00 177.57 178.86