#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 0.89 0.18 7.83 3.84 -1.26 -5.12 114.94 121.31 2k6l s ASN 2 Ca 0.00 0.14 -0.33 0.00 0.21 0.00 0.00 52.86 52.89 2k6l s ASN 2 Cb 0.00 -0.02 -0.12 0.00 -0.55 0.00 0.00 41.25 40.55 2k6l s ASN 2 CO 0.00 -0.23 1.69 0.35 -2.79 0.00 0.00 177.10 176.12 2k6l n THR 3 N 5.15 0.04 -4.01 -5.21 -2.24 -1.26 -4.98 114.28 101.77 2k6l n THR 3 Ca -0.07 -0.01 -0.31 0.00 -2.27 0.00 0.00 64.05 61.40 2k6l n THR 3 Cb 0.50 -1.86 -0.06 0.00 -2.10 0.00 0.00 70.33 66.81 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 1.26 4.83 -0.14 2.28 1.01 -1.26 -5.10 120.40 123.27 2k6l s VAL 4 Ca 0.77 -0.63 -0.05 0.00 0.00 0.00 0.00 61.98 62.06 2k6l s VAL 4 Cb -0.56 -3.33 -0.04 0.00 0.00 0.00 0.00 36.38 32.45 2k6l s VAL 4 CO 0.34 0.13 0.05 -0.13 0.00 0.00 0.00 175.10 175.50 2k6l s ARG 5 N -2.42 3.53 -0.18 2.72 0.52 -1.26 -5.09 118.95 116.77 2k6l s ARG 5 Ca 0.31 -0.34 -0.01 0.00 -0.52 0.00 0.00 55.73 55.17 2k6l s ARG 5 Cb -0.12 -3.05 0.05 0.00 0.52 0.00 0.00 34.95 32.35 2k6l s ARG 5 CO 0.24 0.50 -0.04 -1.58 0.02 0.00 0.00 175.30 174.44 2k6l s TRP 6 N -0.29 1.72 -0.27 -0.53 0.52 -1.26 -5.10 118.94 113.73 2k6l s TRP 6 Ca 0.08 -1.18 -0.08 0.00 0.02 0.00 0.00 56.10 54.94 2k6l s TRP 6 Cb -0.12 -1.32 -0.03 0.00 -1.15 0.00 0.00 33.47 30.85 2k6l s TRP 6 CO 0.02 -0.64 0.11 1.21 0.02 0.00 0.00 176.95 177.66 2k6l s ASN 7 N 1.62 5.38 0.19 2.95 2.47 -1.26 -5.08 114.94 121.22 2k6l s ASN 7 Ca -0.01 -0.23 -0.01 0.00 0.42 0.00 0.00 52.86 53.03 2k6l s ASN 7 Cb -0.16 -1.98 -0.04 0.00 -1.45 0.00 0.00 41.25 37.62 2k6l s ASN 7 CO -0.07 -0.07 0.11 0.27 -3.72 0.00 0.00 177.10 173.62 2k6l s ILE 8 N 1.64 0.09 -0.11 -5.21 -4.36 -1.26 -5.15 121.20 106.84 2k6l s ILE 8 Ca 0.06 -1.98 -0.03 0.00 -0.26 0.00 0.00 60.65 58.44 2k6l s ILE 8 Cb -0.16 -2.40 -0.03 0.00 1.25 0.00 0.00 42.46 41.12 2k6l s ILE 8 CO 0.06 -0.12 0.02 0.00 0.24 0.00 0.00 174.94 175.14 2k6l s ALA 9 N -4.08 3.35 0.05 2.27 0.00 -1.26 -5.11 121.76 116.98 2k6l s ALA 9 Ca 0.35 -0.78 -0.02 0.00 0.00 0.00 0.00 51.96 51.51 2k6l s ALA 9 Cb 0.07 -1.61 -0.03 0.00 0.00 0.00 0.00 23.12 21.55 2k6l s ALA 9 CO 0.10 0.50 0.00 0.14 0.00 0.00 0.00 175.76 176.51 2k6l s VAL 10 N -0.62 0.20 0.09 0.00 -7.23 -1.26 -5.13 120.40 106.45 2k6l s VAL 10 Ca 0.11 -1.65 -0.30 0.00 -1.81 0.00 0.00 61.98 58.33 2k6l s VAL 10 Cb -0.12 -1.40 -0.06 0.00 0.56 0.00 0.00 36.38 35.36 2k6l s VAL 10 CO 0.02 -0.91 1.10 -0.55 -0.31 0.00 0.00 175.10 174.46 2k6l s SER 11 N -2.80 7.23 0.15 4.85 0.15 -1.26 -4.84 113.70 117.17 2k6l s SER 11 Ca 0.05 1.95 0.02 0.00 0.70 0.00 0.00 55.95 58.67 2k6l s SER 11 Cb 0.06 -2.59 0.09 0.00 -1.71 0.00 0.00 66.02 61.88 2k6l s SER 11 CO -0.09 -0.32 0.73 -0.81 1.20 0.00 0.00 173.24 173.94 2k6l n PRO 12 N 3.33 0.02 0.16 5.44 -0.04 -1.26 0.93 135.00 143.58 2k6l n PRO 12 Ca 0.06 0.27 0.03 0.00 -0.04 0.00 0.00 63.50 63.81 2k6l n PRO 12 Cb 0.47 -2.06 0.25 0.00 -0.04 0.00 0.00 33.50 32.12 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 0.00 -0.14 3.54 5.19 -2.00 -2.87 116.42 120.15 2k6l h ASP 13 Ca 0.00 0.00 -0.23 0.00 -0.62 0.00 0.00 57.03 56.18 2k6l h ASP 13 Cb 1.02 0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.54 2k6l h ASP 13 CO 0.00 0.49 -0.81 -0.37 -3.12 0.00 0.00 179.24 175.43 2k6l h VAL 14 N 0.00 1.28 -0.07 -1.35 -1.51 0.20 -2.30 116.25 112.49 2k6l h VAL 14 Ca -0.00 -2.00 -0.02 0.00 -1.23 0.00 0.00 66.70 63.45 2k6l h VAL 14 Cb 1.02 2.03 -0.00 0.00 -2.13 0.00 0.00 31.29 32.21 2k6l h VAL 14 CO 0.06 0.63 -0.03 -0.78 -1.23 0.00 0.00 177.57 176.22 2k6l h ASP 15 N 0.52 0.15 -0.45 4.19 1.82 -1.68 -1.30 116.42 119.67 2k6l h ASP 15 Ca -0.06 -0.41 0.03 0.00 -0.39 0.00 0.00 57.03 56.20 2k6l h ASP 15 Cb 1.44 -0.04 -0.03 0.00 0.68 0.00 0.00 39.33 41.38 2k6l h ASP 15 CO 0.17 0.52 0.25 1.56 -1.61 0.00 0.00 179.24 180.13 2k6l h GLN 16 N -0.22 0.48 -0.73 0.28 1.08 -1.58 -1.61 115.11 112.80 2k6l h GLN 16 Ca 0.02 -0.03 -0.05 0.00 -1.45 0.00 0.00 58.65 57.13 2k6l h GLN 16 Cb 0.47 -0.11 -0.03 0.00 -0.05 0.00 0.00 27.48 27.76 2k6l h GLN 16 CO 0.01 0.32 0.25 0.77 -0.95 0.00 0.00 178.83 179.23 2k6l h SER 17 N 0.50 1.05 -0.63 1.46 0.02 -1.40 -2.79 113.55 111.76 2k6l h SER 17 Ca 0.19 -0.20 0.01 0.00 -0.84 0.00 0.00 61.79 60.95 2k6l h SER 17 Cb 0.05 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.28 2k6l h SER 17 CO -0.10 0.97 0.42 0.58 -1.14 0.00 0.00 176.83 177.55 2k6l h VAL 18 N 1.08 1.16 -0.47 2.27 2.07 -0.65 -1.16 116.25 120.55 2k6l h VAL 18 Ca 0.24 -0.29 0.03 0.00 0.82 0.00 0.00 66.70 67.50 2k6l h VAL 18 Cb 0.27 0.23 -0.04 0.00 -1.52 0.00 0.00 31.29 30.24 2k6l h VAL 18 CO -0.01 0.16 0.25 -0.09 0.02 0.00 0.00 177.57 177.89 2k6l h ARG 19 N 0.85 0.48 -0.59 1.57 1.12 -1.06 -2.20 114.38 114.55 2k6l h ARG 19 Ca 0.23 -0.03 -0.03 0.00 -1.11 0.00 0.00 59.98 59.04 2k6l h ARG 19 Cb -0.09 -0.11 -0.03 0.00 -0.01 0.00 0.00 29.97 29.73 2k6l h ARG 19 CO -0.05 0.32 0.25 0.52 -3.11 0.00 0.00 179.97 177.89 2k6l h MET 20 N 0.49 0.87 -0.01 0.20 2.86 -1.21 -1.13 114.93 117.01 2k6l h MET 20 Ca 0.20 -0.15 0.02 0.00 -2.06 0.00 0.00 59.70 57.70 2k6l h MET 20 Cb 0.08 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 31.58 2k6l h MET 20 CO -0.13 0.74 -0.09 0.35 1.06 0.00 0.00 176.91 178.84 2k6l h PHE 21 N 0.81 -0.23 -0.37 -0.22 3.57 -0.68 -2.09 116.94 117.74 2k6l h PHE 21 Ca 0.20 0.01 -0.15 0.00 3.53 0.00 0.00 57.97 61.55 2k6l h PHE 21 Cb 0.18 0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.02 2k6l h PHE 21 CO 0.01 -0.14 -0.37 -0.84 -2.23 0.00 0.00 178.31 174.74 2k6l h ILE 22 N -0.15 1.28 -0.33 1.41 3.07 -1.35 -2.63 117.51 118.80 2k6l h ILE 22 Ca 0.04 -1.54 0.10 0.00 1.55 0.00 0.00 64.86 65.00 2k6l h ILE 22 Cb 0.20 1.38 -0.01 0.00 -0.27 0.00 0.00 36.82 38.12 2k6l h ILE 22 CO -0.10 0.51 0.28 0.00 -1.05 0.00 0.00 178.15 177.79 2k6l h ALA 23 N 0.85 2.16 0.00 0.16 0.00 -0.96 0.87 119.26 122.35 2k6l h ALA 23 Ca 0.06 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.81 2k6l h ALA 23 Cb 0.95 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 2k6l h ALA 23 CO 0.09 -0.44 -0.74 0.00 0.00 0.00 0.00 179.25 178.16 2k6l h ALA 24 N 1.76 0.71 -0.03 0.00 0.00 -1.01 -3.09 119.26 117.60 2k6l h ALA 24 Ca 0.16 -0.67 0.00 0.00 0.00 0.00 0.00 54.91 54.40 2k6l h ALA 24 Cb 0.71 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2k6l h ALA 24 CO -0.00 0.92 -0.11 0.94 0.00 0.00 0.00 179.25 180.99 2k6l n GLN 25 N -3.55 2.00 0.00 0.00 -0.06 0.13 -5.02 117.38 110.88 2k6l n GLN 25 Ca -0.00 -1.62 0.00 0.00 -2.00 0.00 0.00 57.00 53.38 2k6l n GLN 25 Cb 0.74 -1.47 0.00 0.00 -4.06 0.00 0.00 30.24 25.46 2k6l n GLN 25 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2k6l n GLY 26 N 1.35 0.00 0.76 1.69 0.00 0.26 -4.81 105.19 104.44 2k6l n GLY 26 Ca 0.13 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 0.74 5.00 -0.02 0.00 -1.26 -5.02 105.19 104.64 2k6l n GLY 27 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 0.09 0.62 2.19 -0.02 0.00 -1.26 -4.54 105.19 102.27 2k6l n GLY 28 Ca -0.03 -0.01 -0.07 0.00 0.00 0.00 0.00 46.02 45.90 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 0.00 1.24 -1.52 1.61 5.12 -1.26 -4.65 116.66 117.20 2k6l n ARG 29 Ca 0.00 -0.62 -0.40 0.00 -1.93 0.00 0.00 57.85 54.91 2k6l n ARG 29 Cb 0.00 -1.81 -0.02 0.00 -1.16 0.00 0.00 32.46 29.47 2k6l n ARG 29 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 2k6l n LYS 30 N 2.68 3.81 -0.77 5.56 5.02 -1.26 -4.96 118.16 128.23 2k6l n LYS 30 Ca 0.27 -2.54 -0.25 0.00 -2.02 0.00 0.00 58.31 53.77 2k6l n LYS 30 Cb 0.57 -2.82 -0.00 0.00 -0.02 0.00 0.00 35.03 32.76 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 3.22 -1.59 0.00 0.72 0.00 -1.26 -4.89 105.19 101.39 2k6l n GLY 31 Ca 0.72 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.74 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 1.37 0.00 0.07 1.61 5.75 -1.26 -4.57 116.55 119.53 2k6l n ASP 32 Ca 0.07 0.00 -0.07 0.00 -0.01 0.00 0.00 54.79 54.78 2k6l n ASP 32 Cb 0.23 0.00 0.07 0.00 -1.03 0.00 0.00 41.12 40.39 2k6l n ASP 32 CO 0.00 0.00 0.00 -0.07 -0.11 0.00 0.00 177.20 177.02 2k6l h LEU 33 N 0.00 0.33 -0.68 -2.12 -0.00 -2.00 -3.18 115.31 107.66 2k6l h LEU 33 Ca 0.00 -0.21 0.11 0.00 -0.00 0.00 0.00 57.88 57.78 2k6l h LEU 33 Cb 0.00 -0.10 -0.08 0.00 -0.00 0.00 0.00 40.66 40.48 2k6l h LEU 33 CO 0.00 0.92 0.29 0.77 -0.00 0.00 0.00 178.44 180.42 2k6l h SER 34 N 0.19 0.31 -0.30 -0.43 4.64 -2.00 -1.52 113.55 114.45 2k6l h SER 34 Ca -0.02 0.08 -0.16 0.00 -0.47 0.00 0.00 61.79 61.22 2k6l h SER 34 Cb 1.24 0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 63.37 2k6l h SER 34 CO 0.11 0.16 -0.44 0.03 -0.87 0.00 0.00 176.83 175.83 2k6l h ARG 35 N 0.48 0.82 -0.21 4.77 2.47 -1.82 -1.26 114.38 119.62 2k6l h ARG 35 Ca 0.35 -0.49 0.03 0.00 -1.26 0.00 0.00 59.98 58.62 2k6l h ARG 35 Cb 0.44 0.04 -0.03 0.00 -1.65 0.00 0.00 29.97 28.77 2k6l h ARG 35 CO -0.32 1.12 -0.00 0.35 0.56 0.00 0.00 179.97 181.68 2k6l h PHE 36 N 0.59 -0.01 -0.04 3.04 3.57 -1.34 -1.51 116.94 121.24 2k6l h PHE 36 Ca 0.03 0.02 -0.26 0.00 3.53 0.00 0.00 57.97 61.29 2k6l h PHE 36 Cb 1.04 0.04 0.02 0.00 2.79 0.00 0.00 35.95 39.83 2k6l h PHE 36 CO 0.07 -0.03 -0.98 0.97 -2.23 0.00 0.00 178.31 176.11 2k6l h ILE 37 N 0.06 1.28 -0.29 1.41 2.10 -1.35 -2.92 117.51 117.81 2k6l h ILE 37 Ca 0.10 -2.19 0.03 0.00 1.08 0.00 0.00 64.86 63.88 2k6l h ILE 37 Cb 0.12 2.28 -0.03 0.00 -1.09 0.00 0.00 36.82 38.11 2k6l h ILE 37 CO -0.17 0.68 0.09 -0.08 -1.08 0.00 0.00 178.15 177.60 2k6l h GLU 38 N 0.43 0.21 -0.06 2.19 4.81 -1.05 -0.85 114.58 120.26 2k6l h GLU 38 Ca -0.11 -0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.02 2k6l h GLU 38 Cb 1.63 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.95 2k6l h GLU 38 CO 0.19 0.14 -0.35 -0.44 -0.73 0.00 0.00 179.01 177.82 2k6l h ASP 39 N 0.22 0.11 -0.14 1.04 3.32 -1.36 -1.37 116.42 118.23 2k6l h ASP 39 Ca 0.13 -0.04 -0.05 0.00 0.02 0.00 0.00 57.03 57.10 2k6l h ASP 39 Cb 0.11 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 39.62 2k6l h ASP 39 CO -0.14 0.46 -0.09 0.00 -1.72 0.00 0.00 179.24 177.75 2k6l h ALA 40 N 1.55 0.21 -0.12 3.45 0.00 -1.14 -1.98 119.26 121.23 2k6l h ALA 40 Ca 0.01 -0.29 -0.18 0.00 0.00 0.00 0.00 54.91 54.46 2k6l h ALA 40 Cb 0.67 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 2k6l h ALA 40 CO 0.05 0.03 -0.66 -0.39 0.00 0.00 0.00 179.25 178.28 2k6l h VAL 41 N -0.03 1.35 -0.43 0.00 -1.51 -1.12 -3.03 116.25 111.48 2k6l h VAL 41 Ca 0.03 -1.99 -0.07 0.00 -1.23 0.00 0.00 66.70 63.44 2k6l h VAL 41 Cb 0.58 1.97 -0.02 0.00 -2.13 0.00 0.00 31.29 31.70 2k6l h VAL 41 CO 0.03 0.61 0.00 -0.09 -1.23 0.00 0.00 177.57 176.88 2k6l h ARG 42 N 0.34 0.76 -0.77 5.19 9.65 -1.26 -1.26 114.38 127.03 2k6l h ARG 42 Ca -0.02 -0.24 -0.01 0.00 -1.10 0.00 0.00 59.98 58.61 2k6l h ARG 42 Cb 1.22 -0.07 -0.04 0.00 -1.39 0.00 0.00 29.97 29.70 2k6l h ARG 42 CO 0.12 0.83 0.45 0.00 2.80 0.00 0.00 179.97 184.17 2k6l h ALA 43 N 0.90 0.98 -0.29 2.80 0.00 -1.37 -1.49 119.26 120.80 2k6l h ALA 43 Ca 0.12 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.83 2k6l h ALA 43 Cb 0.49 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 2k6l h ALA 43 CO 0.02 0.45 -0.26 1.88 0.00 0.00 0.00 179.25 181.35 2k6l h TYR 44 N 1.05 0.81 -0.85 0.00 -1.99 -1.40 -2.80 116.97 111.79 2k6l h TYR 44 Ca 0.27 -0.24 -0.00 0.00 2.00 0.00 0.00 58.73 60.76 2k6l h TYR 44 Cb -0.02 -0.17 -0.04 0.00 2.00 0.00 0.00 36.73 38.49 2k6l h TYR 44 CO -0.01 0.97 0.52 -0.07 -0.00 0.00 0.00 178.16 179.58 2k6l h LEU 45 N 0.42 1.02 -0.70 3.88 3.38 -0.97 -2.02 115.31 120.32 2k6l h LEU 45 Ca 0.05 -0.05 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 2k6l h LEU 45 Cb 0.82 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.29 2k6l h LEU 45 CO 0.07 0.77 0.09 0.15 0.09 0.00 0.00 178.44 179.61 2k6l h PHE 46 N 1.17 1.17 -0.60 1.13 3.04 -1.20 -1.36 116.94 120.29 2k6l h PHE 46 Ca 0.31 -0.16 -0.09 0.00 3.98 0.00 0.00 57.97 62.01 2k6l h PHE 46 Cb -0.07 -0.32 -0.02 0.00 2.56 0.00 0.00 35.95 38.10 2k6l h PHE 46 CO 0.00 0.98 0.04 1.49 -2.02 0.00 0.00 178.31 178.80 2k6l h GLU 47 N 1.02 1.03 0.00 1.11 4.81 -1.15 -2.52 114.58 118.87 2k6l h GLU 47 Ca 0.20 -0.30 -0.04 0.00 -0.13 0.00 0.00 59.36 59.09 2k6l h GLU 47 Cb 0.45 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.72 2k6l h GLU 47 CO 0.01 0.99 -0.18 0.00 -0.73 0.00 0.00 179.01 179.10 2k6l h ARG 48 N 0.95 0.00 -0.58 1.92 3.08 -1.16 -3.18 114.38 115.41 2k6l h ARG 48 Ca 0.18 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.17 2k6l h ARG 48 Cb 0.50 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.53 2k6l h ARG 48 CO 0.02 0.18 0.15 0.00 -1.07 0.00 0.00 179.97 179.26 2k6l h ALA 49 N 1.82 0.76 0.10 0.04 0.00 -0.79 -3.13 119.26 118.04 2k6l h ALA 49 Ca -0.00 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 2k6l h ALA 49 Cb 0.85 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.42 2k6l h ALA 49 CO 0.02 0.45 -0.05 0.28 0.00 0.00 0.00 179.25 179.96 2k6l h VAL 50 N 0.83 1.04 -0.02 0.00 2.07 -1.52 -3.52 116.25 115.13 2k6l h VAL 50 Ca 0.18 -0.50 0.00 0.00 0.82 0.00 0.00 66.70 67.20 2k6l h VAL 50 Cb 0.33 1.36 0.00 0.00 -1.52 0.00 0.00 31.29 31.46 2k6l h VAL 50 CO -0.00 0.12 0.00 -0.62 0.02 0.00 0.00 177.57 177.09