#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yql s SER 2 N 0.00 2.41 0.06 1.61 0.01 -1.26 -5.05 113.70 111.48 2yql s SER 2 Ca 0.00 -0.77 -0.15 0.00 1.31 0.00 0.00 55.95 56.34 2yql s SER 2 Cb 0.00 -0.12 -0.24 0.00 0.21 0.00 0.00 66.02 65.86 2yql s SER 2 CO 0.00 -0.03 1.17 0.28 0.41 0.00 0.00 173.24 175.07 2yql h SER 3 N 3.68 0.88 0.00 2.44 0.02 -2.11 -3.48 113.55 114.98 2yql h SER 3 Ca -0.43 -0.75 0.00 0.00 -0.84 0.00 0.00 61.79 59.77 2yql h SER 3 Cb 1.19 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 63.46 2yql h SER 3 CO 0.46 1.52 0.00 0.61 -1.14 0.00 0.00 176.83 178.28 2yql n GLY 4 N 1.13 1.54 2.07 -3.77 0.00 -1.26 -5.04 105.19 99.87 2yql n GLY 4 Ca -0.11 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.82 2yql n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2yql n SER 5 N 0.00 2.90 -3.83 1.61 7.64 -1.26 -5.00 113.62 115.68 2yql n SER 5 Ca 0.00 -2.97 -0.29 0.00 1.01 0.00 0.00 58.87 56.62 2yql n SER 5 Cb 0.00 -0.41 -0.16 0.00 -1.01 0.00 0.00 64.21 62.63 2yql n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2yql s SER 6 N -3.45 3.54 0.00 6.43 0.15 -1.26 -5.09 113.70 114.03 2yql s SER 6 Ca 0.39 -1.15 0.00 0.00 0.70 0.00 0.00 55.95 55.89 2yql s SER 6 Cb 0.37 -0.91 0.00 0.00 -1.71 0.00 0.00 66.02 63.77 2yql s SER 6 CO -0.03 -0.30 0.00 0.61 1.20 0.00 0.00 173.24 174.73 2yql n GLY 7 N 4.83 3.98 0.68 9.45 0.00 -1.26 -5.01 105.19 117.86 2yql n GLY 7 Ca -0.09 -1.14 0.06 0.00 0.00 0.00 0.00 46.02 44.85 2yql n GLY 7 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2yql n HIS 8 N -1.57 0.00 -1.72 1.61 -0.00 -1.26 -4.81 115.22 107.48 2yql n HIS 8 Ca 0.00 -0.90 0.18 0.00 -0.00 0.00 0.00 57.72 57.00 2yql n HIS 8 Cb 0.00 -0.17 -0.04 0.00 -0.00 0.00 0.00 29.99 29.78 2yql n HIS 8 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.34 176.73 2yql n GLU 9 N -0.62 -2.61 -1.02 -0.41 -0.58 -1.26 -4.14 120.64 109.99 2yql n GLU 9 Ca 0.12 1.72 -0.04 0.00 -0.42 0.00 0.00 57.16 58.54 2yql n GLU 9 Cb 0.79 -3.19 -0.05 0.00 -0.57 0.00 0.00 31.44 28.43 2yql n GLU 9 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 2yql n ASP 10 N -4.20 -0.57 -3.80 1.62 8.00 -1.26 -4.94 116.55 111.41 2yql n ASP 10 Ca 0.01 -1.91 -0.13 0.00 0.71 0.00 0.00 54.79 53.47 2yql n ASP 10 Cb 0.59 0.17 -0.12 0.00 -0.02 0.00 0.00 41.12 41.74 2yql n ASP 10 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2yql s PHE 11 N 0.00 -0.24 0.26 1.24 0.40 -1.26 -4.83 117.98 113.56 2yql s PHE 11 Ca 0.05 0.57 -0.30 0.00 -0.60 0.00 0.00 56.93 56.66 2yql s PHE 11 Cb 0.06 0.08 -0.14 0.00 0.51 0.00 0.00 43.02 43.53 2yql s PHE 11 CO -0.03 -0.13 1.19 0.00 0.70 0.00 0.00 175.22 176.96 2yql n SER 13 N 1.52 6.62 0.00 0.00 2.88 -1.19 -2.53 113.62 120.92 2yql n SER 13 Ca 0.10 -3.40 0.00 0.00 -1.33 0.00 0.00 58.87 54.24 2yql n SER 13 Cb 0.31 -0.98 0.00 0.00 -0.75 0.00 0.00 64.21 62.79 2yql n SER 13 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 2yql n VAL 14 N -0.35 0.00 -0.01 2.46 0.31 -1.26 -4.95 118.33 114.52 2yql n VAL 14 Ca 0.46 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.80 2yql n VAL 14 Cb 0.72 -0.15 -0.03 0.00 -0.91 0.00 0.00 33.84 33.47 2yql n VAL 14 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2yql n ARG 16 N -1.88 -2.54 -4.16 0.00 1.74 -1.05 -5.00 116.66 103.77 2yql n ARG 16 Ca -0.03 2.19 -0.11 0.00 -0.77 0.00 0.00 57.85 59.12 2yql n ARG 16 Cb 0.35 -4.85 -0.09 0.00 -1.02 0.00 0.00 32.46 26.85 2yql n ARG 16 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 2yql s LYS 17 N -1.82 1.24 0.12 5.56 1.02 -1.26 -4.89 119.74 119.71 2yql s LYS 17 Ca 0.09 -1.54 -0.07 0.00 0.02 0.00 0.00 55.97 54.47 2yql s LYS 17 Cb -0.03 0.30 -0.06 0.00 -0.52 0.00 0.00 37.83 37.53 2yql s LYS 17 CO 0.66 -0.42 0.39 -1.54 -0.92 0.00 0.00 175.35 173.51 2yql s SER 18 N -3.12 6.55 0.00 2.83 1.04 -1.26 -3.95 113.70 115.79 2yql s SER 18 Ca 0.35 0.68 0.00 0.00 0.48 0.00 0.00 55.95 57.46 2yql s SER 18 Cb 0.06 -2.13 0.00 0.00 0.10 0.00 0.00 66.02 64.05 2yql s SER 18 CO 0.11 0.10 0.00 0.61 0.98 0.00 0.00 173.24 175.03 2yql n GLY 19 N 0.42 0.92 3.72 7.32 0.00 -1.26 -5.07 105.19 111.23 2yql n GLY 19 Ca -0.05 -1.94 -0.42 0.00 0.00 0.00 0.00 46.02 43.62 2yql n GLY 19 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2yql s GLN 20 N -1.76 4.56 0.08 1.61 0.74 -1.26 -5.01 119.66 118.63 2yql s GLN 20 Ca 0.00 1.59 0.06 0.00 0.05 0.00 0.00 55.36 57.06 2yql s GLN 20 Cb 0.00 -3.37 -0.03 0.00 1.10 0.00 0.00 33.01 30.71 2yql s GLN 20 CO 0.00 -0.02 -0.15 -0.51 -0.55 0.00 0.00 175.29 174.06 2yql s LEU 21 N 0.48 2.30 0.49 3.68 1.43 -1.26 -4.84 118.68 120.95 2yql s LEU 21 Ca 0.52 -0.66 -0.16 0.00 -1.03 0.00 0.00 54.13 52.80 2yql s LEU 21 Cb -0.26 -0.57 -0.08 0.00 0.03 0.00 0.00 46.19 45.31 2yql s LEU 21 CO 0.30 -0.07 0.94 -0.22 0.23 0.00 0.00 176.35 177.53 2yql s LEU 22 N -1.89 3.69 -0.00 1.79 2.96 -0.90 -4.91 118.68 119.43 2yql s LEU 22 Ca 0.01 1.49 0.08 0.00 -0.22 0.00 0.00 54.13 55.50 2yql s LEU 22 Cb -0.09 -4.41 -0.02 0.00 0.50 0.00 0.00 46.19 42.16 2yql s LEU 22 CO 0.03 -0.53 -0.26 -0.04 -1.32 0.00 0.00 176.35 174.23 2yql s MET 23 N -3.95 2.03 0.22 1.98 -1.94 -1.26 -2.74 119.30 113.64 2yql s MET 23 Ca 0.58 -0.98 -0.17 0.00 -1.71 0.00 0.00 55.69 53.41 2yql s MET 23 Cb -0.10 -2.03 -0.08 0.00 2.01 0.00 0.00 34.83 34.63 2yql s MET 23 CO 0.30 0.55 0.68 0.00 -0.01 0.00 0.00 175.02 176.53 2yql n ASP 25 N 0.57 7.13 0.10 0.00 2.03 -1.25 -4.48 116.55 120.65 2yql n ASP 25 Ca -0.02 -3.46 0.00 0.00 0.52 0.00 0.00 54.79 51.83 2yql n ASP 25 Cb 0.52 -1.03 0.00 0.00 -0.72 0.00 0.00 41.12 39.88 2yql n ASP 25 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 2yql n THR 26 N -0.28 0.00 -2.06 5.18 -1.04 -1.26 -5.06 114.28 109.77 2yql n THR 26 Ca 0.48 0.00 -0.01 0.00 -2.04 0.00 0.00 64.05 62.48 2yql n THR 26 Cb 0.60 -0.01 0.01 0.00 -1.82 0.00 0.00 70.33 69.11 2yql n THR 26 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2yql n SER 28 N -3.00 4.71 -4.10 0.00 7.64 -1.26 -4.64 113.62 112.96 2yql n SER 28 Ca 0.01 -3.70 -0.17 0.00 1.01 0.00 0.00 58.87 56.02 2yql n SER 28 Cb 0.03 -0.58 -0.12 0.00 -1.01 0.00 0.00 64.21 62.52 2yql n SER 28 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2yql s ARG 29 N -3.54 0.71 0.09 1.43 1.81 -1.26 -4.48 118.95 113.71 2yql s ARG 29 Ca 0.48 -0.75 0.07 0.00 -1.72 0.00 0.00 55.73 53.82 2yql s ARG 29 Cb 0.29 -0.64 -0.04 0.00 -0.45 0.00 0.00 34.95 34.12 2yql s ARG 29 CO -0.15 0.15 -0.12 0.14 -0.68 0.00 0.00 175.30 174.63 2yql s VAL 30 N -1.06 3.22 -0.13 3.52 -7.23 -1.26 -3.53 120.40 113.93 2yql s VAL 30 Ca -0.03 -1.27 -0.09 0.00 -1.81 0.00 0.00 61.98 58.78 2yql s VAL 30 Cb -0.08 -2.48 0.04 0.00 0.56 0.00 0.00 36.38 34.42 2yql s VAL 30 CO 0.01 0.16 0.33 -0.31 -0.31 0.00 0.00 175.10 174.98 2yql s TYR 31 N -1.15 -0.42 1.35 2.82 2.02 -1.11 -3.17 117.35 117.69 2yql s TYR 31 Ca 0.20 0.98 -0.22 0.00 -0.37 0.00 0.00 57.07 57.66 2yql s TYR 31 Cb -0.11 0.15 0.34 0.00 -0.40 0.00 0.00 41.96 41.93 2yql s TYR 31 CO 0.12 -0.24 0.76 0.72 -1.57 0.00 0.00 175.55 175.33 2yql n HIS 32 N 3.67 -3.49 0.02 2.71 8.25 -1.26 -2.12 115.22 123.00 2yql n HIS 32 Ca -0.19 -0.63 -0.00 0.00 -0.26 0.00 0.00 57.72 56.63 2yql n HIS 32 Cb 0.56 -1.26 -0.09 0.00 1.12 0.00 0.00 29.99 30.32 2yql n HIS 32 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2yql n LEU 33 N 0.00 0.80 -0.01 2.41 4.77 -1.26 -4.16 117.00 119.55 2yql n LEU 33 Ca 0.12 0.35 0.10 0.00 -0.03 0.00 0.00 56.01 56.55 2yql n LEU 33 Cb 0.52 0.09 -0.16 0.00 -2.33 0.00 0.00 43.42 41.54 2yql n LEU 33 CO 0.34 0.16 -0.75 -0.90 -1.33 0.00 0.00 177.39 174.91 2yql n ASP 34 N -2.86 0.24 -3.44 -1.43 5.75 -1.26 -0.35 116.55 113.20 2yql n ASP 34 Ca -0.11 0.00 -0.40 0.00 -0.01 0.00 0.00 54.79 54.27 2yql n ASP 34 Cb 0.85 1.94 0.02 0.00 -1.03 0.00 0.00 41.12 42.89 2yql n ASP 34 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2yql n LEU 36 N 0.20 0.00 -3.35 0.00 4.77 -1.26 -4.34 117.00 113.01 2yql n LEU 36 Ca 0.51 -2.80 -0.14 0.00 -0.03 0.00 0.00 56.01 53.55 2yql n LEU 36 Cb 0.27 0.37 -0.08 0.00 -2.33 0.00 0.00 43.42 41.65 2yql n LEU 36 CO 0.54 -0.40 -0.13 -0.62 -1.33 0.00 0.00 177.39 175.45 2yql s ASP 37 N -3.43 1.06 0.97 -1.43 -1.08 -1.26 -2.88 116.67 108.62 2yql s ASP 37 Ca 0.02 -0.95 -0.12 0.00 -0.52 0.00 0.00 52.55 50.98 2yql s ASP 37 Cb 0.00 0.73 0.17 0.00 -1.46 0.00 0.00 42.92 42.36 2yql s ASP 37 CO 0.01 -0.33 1.09 -2.16 0.52 0.00 0.00 175.17 174.31 2yql s PRO 38 N 2.07 0.66 0.66 4.34 0.04 -1.26 -4.66 135.00 136.85 2yql s PRO 38 Ca 0.12 0.61 -0.15 0.00 0.04 0.00 0.00 61.00 61.62 2yql s PRO 38 Cb -0.14 -1.76 -0.00 0.00 0.04 0.00 0.00 34.50 32.65 2yql s PRO 38 CO -0.21 -2.60 1.11 -1.25 0.04 0.00 0.00 177.00 174.09 2yql s PRO 39 N -4.95 2.81 0.52 0.56 0.04 -1.14 -5.03 135.00 127.82 2yql s PRO 39 Ca 0.65 1.40 0.01 0.00 0.04 0.00 0.00 61.00 63.10 2yql s PRO 39 Cb -0.18 -1.95 -0.00 0.00 0.04 0.00 0.00 34.50 32.40 2yql s PRO 39 CO 0.57 -1.24 0.05 -0.51 0.04 0.00 0.00 177.00 175.91 2yql s LEU 40 N -4.84 2.30 0.00 -3.56 1.43 0.52 -4.92 118.68 109.61 2yql s LEU 40 Ca 0.67 -1.63 0.00 0.00 -1.03 0.00 0.00 54.13 52.14 2yql s LEU 40 Cb -0.21 -0.77 0.00 0.00 0.03 0.00 0.00 46.19 45.24 2yql s LEU 40 CO 0.41 -0.91 0.00 1.17 0.23 0.00 0.00 176.35 177.25 2yql n LYS 41 N -1.34 0.00 -1.03 1.70 4.81 -1.23 -3.98 118.16 117.09 2yql n LYS 41 Ca -0.18 0.00 -0.04 0.00 -0.87 0.00 0.00 58.31 57.22 2yql n LYS 41 Cb 0.67 0.00 0.02 0.00 0.02 0.00 0.00 35.03 35.74 2yql n LYS 41 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 2yql n THR 42 N -2.28 0.00 -2.21 3.15 -2.24 -1.26 -4.90 114.28 104.53 2yql n THR 42 Ca 0.00 -0.30 -0.43 0.00 -2.27 0.00 0.00 64.05 61.06 2yql n THR 42 Cb 0.00 -1.23 -0.02 0.00 -2.10 0.00 0.00 70.33 66.97 2yql n THR 42 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2yql s ILE 43 N -0.25 3.82 -1.08 2.28 1.09 -1.26 -4.92 121.20 120.88 2yql s ILE 43 Ca 0.12 0.91 -0.23 0.00 -1.10 0.00 0.00 60.65 60.34 2yql s ILE 43 Cb -0.01 -3.88 -0.07 0.00 -1.06 0.00 0.00 42.46 37.44 2yql s ILE 43 CO 0.08 -0.40 1.94 -2.16 -0.10 0.00 0.00 174.94 174.29 2yql s PRO 44 N 4.65 2.51 0.88 2.79 0.04 -1.26 -4.95 135.00 139.66 2yql s PRO 44 Ca 0.67 -0.85 -0.14 0.00 0.04 0.00 0.00 61.00 60.72 2yql s PRO 44 Cb -0.21 -5.18 0.01 0.00 0.04 0.00 0.00 34.50 29.16 2yql s PRO 44 CO 0.28 -3.77 0.43 1.63 0.04 0.00 0.00 177.00 175.61 2yql n LYS 45 N 8.49 -0.09 -0.04 4.56 4.76 -1.26 -4.60 118.16 129.97 2yql n LYS 45 Ca 0.43 0.02 0.01 0.00 -2.87 0.00 0.00 58.31 55.90 2yql n LYS 45 Cb 0.47 -1.84 -0.00 0.00 -1.84 0.00 0.00 35.03 31.81 2yql n LYS 45 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2yql n GLY 46 N 1.57 -2.52 3.50 0.72 0.00 -1.26 -4.73 105.19 102.47 2yql n GLY 46 Ca 0.08 -1.45 -0.42 0.00 0.00 0.00 0.00 46.02 44.23 2yql n GLY 46 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2yql n MET 47 N -2.16 0.83 -3.73 1.61 1.56 -1.26 -4.92 117.12 109.06 2yql n MET 47 Ca -0.00 0.11 -0.33 0.00 -0.27 0.00 0.00 57.70 57.21 2yql n MET 47 Cb 0.02 -2.63 -0.05 0.00 2.15 0.00 0.00 33.22 32.71 2yql n MET 47 CO 0.00 0.00 0.00 -0.46 -0.73 0.00 0.00 175.97 174.78 2yql s TRP 48 N 9.67 3.55 -0.03 1.12 -0.00 -1.26 -5.10 118.94 126.89 2yql s TRP 48 Ca 1.11 0.57 -0.01 0.00 -0.00 0.00 0.00 56.10 57.77 2yql s TRP 48 Cb -0.67 -1.99 0.03 0.00 -0.00 0.00 0.00 33.47 30.83 2yql s TRP 48 CO 0.40 0.56 0.05 0.42 -0.00 0.00 0.00 176.95 178.37 2yql s ILE 49 N -1.42 -0.08 0.72 5.86 1.01 -1.26 -3.78 121.20 122.26 2yql s ILE 49 Ca 0.32 0.27 -0.16 0.00 0.00 0.00 0.00 60.65 61.08 2yql s ILE 49 Cb -0.13 -0.11 -0.03 0.00 0.01 0.00 0.00 42.46 42.20 2yql s ILE 49 CO 0.20 0.11 0.63 0.00 0.00 0.00 0.00 174.94 175.88 2yql n PRO 51 N -1.02 0.09 0.16 0.00 -0.04 -1.26 -2.35 135.00 130.58 2yql n PRO 51 Ca 0.11 0.34 0.04 0.00 -0.04 0.00 0.00 63.50 63.94 2yql n PRO 51 Cb 0.50 -1.68 0.10 0.00 -0.04 0.00 0.00 33.50 32.38 2yql n PRO 51 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2yql h ARG 52 N 0.00 0.00 0.00 0.54 2.47 -1.89 -3.12 114.38 112.37 2yql h ARG 52 Ca 0.00 0.00 -0.09 0.00 -1.26 0.00 0.00 59.98 58.63 2yql h ARG 52 Cb 0.30 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.61 2yql h ARG 52 CO 0.00 0.44 -0.55 0.00 0.56 0.00 0.00 179.97 180.42 2yql h GLN 54 N -1.00 0.03 -2.40 0.00 1.08 -1.68 -3.44 115.11 107.71 2yql h GLN 54 Ca -0.13 -0.00 0.16 0.00 -1.45 0.00 0.00 58.65 57.23 2yql h GLN 54 Cb 0.88 -0.01 -0.08 0.00 -0.05 0.00 0.00 27.48 28.23 2yql h GLN 54 CO -0.08 0.02 0.46 0.34 -0.95 0.00 0.00 178.83 178.62 2yql s ASP 55 N -5.77 -0.20 0.00 1.46 2.15 -1.18 -5.13 116.67 108.00 2yql s ASP 55 Ca -0.05 -0.40 0.00 0.00 0.43 0.00 0.00 52.55 52.53 2yql s ASP 55 Cb 0.21 0.51 0.00 0.00 -0.30 0.00 0.00 42.92 43.34 2yql s ASP 55 CO 0.76 -0.93 0.49 0.00 -0.17 0.00 0.00 175.17 175.33