#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yql h SER 2 N 0.00 -0.13 -3.40 1.61 0.02 -2.09 -3.44 113.55 106.12 2yql h SER 2 Ca 0.00 -0.38 -0.58 0.00 -0.84 0.00 0.00 61.79 59.98 2yql h SER 2 Cb 0.00 0.03 -0.39 0.00 0.14 0.00 0.00 62.40 62.18 2yql h SER 2 CO 0.00 0.48 -0.76 -0.44 -1.14 0.00 0.00 176.83 174.97 2yql s SER 3 N -5.59 3.80 0.00 3.07 0.01 -1.26 -5.01 113.70 108.72 2yql s SER 3 Ca -0.11 -1.35 0.00 0.00 1.31 0.00 0.00 55.95 55.79 2yql s SER 3 Cb -0.00 -0.99 0.00 0.00 0.21 0.00 0.00 66.02 65.24 2yql s SER 3 CO 0.42 -0.33 0.00 0.61 0.41 0.00 0.00 173.24 174.35 2yql n GLY 4 N 4.77 1.65 2.51 3.44 0.00 -1.26 -5.04 105.19 111.27 2yql n GLY 4 Ca -0.06 -0.20 -0.15 0.00 0.00 0.00 0.00 46.02 45.60 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 3.13 0.06 1.61 7.64 -1.26 -4.87 113.62 119.92 2yql n SER 5 Ca 0.00 -3.07 -0.02 0.00 1.01 0.00 0.00 58.87 56.79 2yql n SER 5 Cb 0.00 -0.46 -0.01 0.00 -1.01 0.00 0.00 64.21 62.73 2yql n SER 5 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 2yql h SER 6 N 2.63 -0.14 -0.12 6.43 0.87 -1.96 -3.44 113.55 117.83 2yql h SER 6 Ca 0.10 0.00 -0.19 0.00 -1.23 0.00 0.00 61.79 60.48 2yql h SER 6 Cb 1.20 0.04 -0.21 0.00 -0.44 0.00 0.00 62.40 62.98 2yql h SER 6 CO 0.59 -0.05 -0.49 0.61 -0.53 0.00 0.00 176.83 176.96 2yql n GLY 7 N 0.25 1.95 1.42 5.77 0.00 -1.26 -5.15 105.19 108.17 2yql n GLY 7 Ca -0.02 -0.40 0.19 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.27 -3.57 -1.79 1.61 -0.00 -1.26 -4.91 115.22 104.03 2yql n HIS 8 Ca -0.11 1.81 -0.09 0.00 -0.00 0.00 0.00 57.72 59.33 2yql n HIS 8 Cb 0.86 -3.25 0.06 0.00 -0.00 0.00 0.00 29.99 27.66 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 -4.17 -0.10 -0.88 -0.41 1.02 -1.26 -5.05 120.64 109.79 2yql n GLU 9 Ca -0.01 -0.83 -0.02 0.00 -0.02 0.00 0.00 57.16 56.28 2yql n GLU 9 Cb 0.67 -0.37 -0.02 0.00 -0.02 0.00 0.00 31.44 31.69 2yql n GLU 9 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2yql n ASP 10 N -3.16 -0.20 -3.80 1.62 8.00 -1.26 -4.90 116.55 112.86 2yql n ASP 10 Ca 0.06 -1.71 -0.13 0.00 0.71 0.00 0.00 54.79 53.72 2yql n ASP 10 Cb 0.21 0.03 -0.12 0.00 -0.02 0.00 0.00 41.12 41.22 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 0.08 -1.26 -4.90 117.98 113.16 2yql s PHE 11 Ca 0.06 0.58 -0.30 0.00 0.12 0.00 0.00 56.93 57.39 2yql s PHE 11 Cb 0.07 0.08 -0.14 0.00 -0.57 0.00 0.00 43.02 42.46 2yql s PHE 11 CO -0.03 -0.13 1.20 0.00 -0.10 0.00 0.00 175.22 176.16 2yql n SER 13 N 1.58 6.65 0.00 0.00 2.88 -1.21 -2.51 113.62 121.01 2yql n SER 13 Ca 0.10 -3.40 0.00 0.00 -1.33 0.00 0.00 58.87 54.25 2yql n SER 13 Cb 0.31 -0.99 0.00 0.00 -0.75 0.00 0.00 64.21 62.78 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 -0.34 0.00 -0.01 2.46 0.31 -1.26 -4.95 118.33 114.54 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 0.71 -0.14 -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 -1.86 -2.17 -4.07 0.00 1.74 -1.04 -5.00 116.66 104.26 2yql n ARG 16 Ca -0.03 1.97 -0.09 0.00 -0.77 0.00 0.00 57.85 58.93 2yql n ARG 16 Cb 0.33 -4.96 -0.09 0.00 -1.02 0.00 0.00 32.46 26.71 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 -2.19 0.88 0.87 5.56 -0.14 -1.26 -4.89 119.74 118.58 2yql s LYS 17 Ca 0.17 -1.29 -0.10 0.00 -1.36 0.00 0.00 55.97 53.40 2yql s LYS 17 Cb -0.05 0.27 0.18 0.00 -1.68 0.00 0.00 37.83 36.55 2yql s LYS 17 CO 0.65 -0.25 1.20 -1.54 -0.76 0.00 0.00 175.35 174.65 2yql s SER 18 N -2.98 3.55 0.00 2.83 1.04 -1.26 -3.85 113.70 113.03 2yql s SER 18 Ca 0.17 -0.02 0.00 0.00 0.48 0.00 0.00 55.95 56.57 2yql s SER 18 Cb 0.07 -0.13 0.00 0.00 0.10 0.00 0.00 66.02 66.06 2yql s SER 18 CO -0.03 -2.42 0.00 0.61 0.98 0.00 0.00 173.24 172.38 2yql n GLY 19 N -3.41 0.19 3.77 7.32 0.00 -1.26 -4.99 105.19 106.81 2yql n GLY 19 Ca 0.16 -1.95 -0.37 0.00 0.00 0.00 0.00 46.02 43.85 2yql n GLY 19 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2yql s GLN 20 N 0.00 4.12 0.07 1.61 -0.21 -1.26 -5.07 119.66 118.91 2yql s GLN 20 Ca 0.00 0.28 0.06 0.00 0.02 0.00 0.00 55.36 55.72 2yql s GLN 20 Cb 0.00 -3.35 -0.03 0.00 1.00 0.00 0.00 33.01 30.63 2yql s GLN 20 CO 0.00 0.40 -0.15 -0.51 -2.12 0.00 0.00 175.29 172.90 2yql s LEU 21 N -0.09 2.25 0.44 2.90 1.43 -1.26 -4.81 118.68 119.54 2yql s LEU 21 Ca 0.21 -0.58 -0.14 0.00 -1.03 0.00 0.00 54.13 52.60 2yql s LEU 21 Cb -0.15 -0.60 -0.07 0.00 0.03 0.00 0.00 46.19 45.39 2yql s LEU 21 CO 0.09 -0.02 0.85 -0.22 0.23 0.00 0.00 176.35 177.28 2yql s LEU 22 N -1.57 3.79 0.06 1.79 2.96 -0.87 -4.90 118.68 119.93 2yql s LEU 22 Ca 0.00 1.33 0.09 0.00 -0.22 0.00 0.00 54.13 55.34 2yql s LEU 22 Cb -0.09 -4.22 -0.03 0.00 0.50 0.00 0.00 46.19 42.35 2yql s LEU 22 CO 0.02 -0.44 -0.26 -0.04 -1.32 0.00 0.00 176.35 174.31 2yql s MET 23 N -3.81 1.71 0.20 1.98 -1.94 -1.26 -2.48 119.30 113.70 2yql s MET 23 Ca 0.55 -1.14 -0.16 0.00 -1.71 0.00 0.00 55.69 53.22 2yql s MET 23 Cb -0.10 -1.93 -0.08 0.00 2.01 0.00 0.00 34.83 34.73 2yql s MET 23 CO 0.29 0.49 0.64 0.00 -0.01 0.00 0.00 175.02 176.43 2yql n ASP 25 N 0.59 7.13 0.07 0.00 -0.08 -1.25 -4.49 116.55 118.52 2yql n ASP 25 Ca -0.03 -3.45 0.00 0.00 -1.51 0.00 0.00 54.79 49.80 2yql n ASP 25 Cb 0.52 -1.02 0.00 0.00 2.34 0.00 0.00 41.12 42.95 2yql n ASP 25 CO 0.00 0.00 0.00 0.41 0.12 0.00 0.00 177.20 177.73 2yql n THR 26 N -0.30 0.00 -2.04 5.18 -1.04 -1.26 -5.06 114.28 109.76 2yql n THR 26 Ca 0.48 0.00 -0.00 0.00 -2.04 0.00 0.00 64.05 62.48 2yql n THR 26 Cb 0.61 -0.01 0.00 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 3.75 -3.84 0.00 7.64 -1.26 -4.63 113.62 112.28 2yql n SER 28 Ca 0.00 -3.41 -0.12 0.00 1.01 0.00 0.00 58.87 56.35 2yql n SER 28 Cb 0.01 -0.70 -0.11 0.00 -1.01 0.00 0.00 64.21 62.40 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 -2.35 0.41 0.06 1.43 0.52 -1.26 -4.56 118.95 113.20 2yql s ARG 29 Ca 0.38 -0.14 0.06 0.00 -0.52 0.00 0.00 55.73 55.50 2yql s ARG 29 Cb 0.12 0.18 -0.04 0.00 0.52 0.00 0.00 34.95 35.73 2yql s ARG 29 CO -0.03 -0.09 -0.10 0.14 0.02 0.00 0.00 175.30 175.24 2yql s VAL 30 N -0.85 3.41 -0.13 3.52 -7.23 -1.26 -3.49 120.40 114.37 2yql s VAL 30 Ca -0.09 -1.09 -0.09 0.00 -1.81 0.00 0.00 61.98 58.90 2yql s VAL 30 Cb -0.05 -2.54 0.04 0.00 0.56 0.00 0.00 36.38 34.39 2yql s VAL 30 CO 0.01 0.23 0.32 -0.31 -0.31 0.00 0.00 175.10 175.05 2yql s TYR 31 N -1.11 -0.41 1.35 2.82 2.02 -1.03 -3.32 117.35 117.67 2yql s TYR 31 Ca 0.19 0.95 -0.22 0.00 -0.37 0.00 0.00 57.07 57.63 2yql s TYR 31 Cb -0.11 0.14 0.34 0.00 -0.40 0.00 0.00 41.96 41.92 2yql s TYR 31 CO 0.11 -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 -2.05 115.22 123.06 2yql n HIS 32 Ca -0.19 -0.63 -0.01 0.00 -0.26 0.00 0.00 57.72 56.62 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 0.79 -0.01 2.41 4.77 -1.26 -4.16 117.00 119.54 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 0.53 0.10 -0.17 0.00 -2.33 0.00 0.00 43.42 41.55 2yql n LEU 33 CO 0.34 0.17 -0.76 0.47 -1.33 0.00 0.00 177.39 176.29 2yql n ASP 34 N -2.87 0.13 -3.45 -1.43 8.00 -1.25 -0.33 116.55 115.35 2yql n ASP 34 Ca -0.11 0.00 -0.40 0.00 0.71 0.00 0.00 54.79 54.99 2yql n ASP 34 Cb 0.86 1.96 0.02 0.00 -0.02 0.00 0.00 41.12 43.93 2yql n ASP 34 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2yql n LEU 36 N 0.18 0.00 -3.36 0.00 4.77 -1.26 -4.34 117.00 112.99 2yql n LEU 36 Ca 0.51 -2.78 -0.14 0.00 -0.03 0.00 0.00 56.01 53.56 2yql n LEU 36 Cb 0.27 0.36 -0.08 0.00 -2.33 0.00 0.00 43.42 41.63 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 -3.42 1.07 0.97 -1.43 2.15 -1.26 -2.87 116.67 111.88 2yql s ASP 37 Ca 0.01 -0.96 -0.12 0.00 0.43 0.00 0.00 52.55 51.91 2yql s ASP 37 Cb 0.00 0.72 0.17 0.00 -0.30 0.00 0.00 42.92 43.51 2yql s ASP 37 CO 0.01 -0.33 1.09 -2.16 -0.17 0.00 0.00 175.17 173.62 2yql s PRO 38 N 2.05 0.67 0.65 4.34 0.04 -1.26 -4.64 135.00 136.87 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 32.64 2yql s PRO 38 CO -0.21 -2.59 1.11 -1.25 0.04 0.00 0.00 177.00 174.10 2yql s PRO 39 N -4.96 2.82 0.52 0.56 0.04 -1.14 -5.03 135.00 127.83 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 -1.23 0.04 -0.51 0.04 0.00 0.00 177.00 175.91 2yql s LEU 40 N -4.82 2.29 0.00 -3.56 1.43 0.55 -4.92 118.68 109.65 2yql s LEU 40 Ca 0.67 -1.64 0.00 0.00 -1.03 0.00 0.00 54.13 52.13 2yql s LEU 40 Cb -0.21 -0.76 0.00 0.00 0.03 0.00 0.00 46.19 45.26 2yql s LEU 40 CO 0.41 -0.90 0.00 1.17 0.23 0.00 0.00 176.35 177.26 2yql n LYS 41 N -1.33 0.00 -1.02 1.70 3.00 -1.23 -3.95 118.16 115.33 2yql n LYS 41 Ca -0.19 0.00 -0.04 0.00 -0.00 0.00 0.00 58.31 58.08 2yql n LYS 41 Cb 0.67 0.00 0.02 0.00 0.00 0.00 0.00 35.03 35.72 2yql n LYS 41 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 2yql n THR 42 N -2.29 0.00 -2.21 3.15 -2.24 -1.26 -4.90 114.28 104.52 2yql n THR 42 Ca 0.00 -0.28 -0.43 0.00 -2.27 0.00 0.00 64.05 61.07 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 -0.22 3.82 -0.95 2.28 1.01 -1.26 -4.92 121.20 120.96 2yql s ILE 43 Ca 0.11 0.91 -0.24 0.00 0.00 0.00 0.00 60.65 61.43 2yql s ILE 43 Cb -0.01 -3.88 -0.05 0.00 0.01 0.00 0.00 42.46 38.53 2yql s ILE 43 CO 0.07 -0.40 1.94 -2.16 0.00 0.00 0.00 174.94 174.40 2yql s PRO 44 N 4.65 2.54 1.03 2.79 0.04 -1.26 -4.96 135.00 139.83 2yql s PRO 44 Ca 0.67 -0.45 -0.16 0.00 0.04 0.00 0.00 61.00 61.11 2yql s PRO 44 Cb -0.21 -5.10 0.06 0.00 0.04 0.00 0.00 34.50 29.30 2yql s PRO 44 CO 0.28 -3.49 0.20 1.17 0.04 0.00 0.00 177.00 175.20 2yql n LYS 45 N 8.75 -0.87 -0.64 4.56 3.00 -1.26 -4.58 118.16 127.11 2yql n LYS 45 Ca 0.41 -0.23 0.08 0.00 -0.00 0.00 0.00 58.31 58.57 2yql n LYS 45 Cb 0.47 -1.77 -0.04 0.00 0.00 0.00 0.00 35.03 33.69 2yql n LYS 45 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2yql n GLY 46 N 1.78 -2.94 3.51 3.14 0.00 -1.26 -4.64 105.19 104.77 2yql n GLY 46 Ca 0.04 -1.27 -0.42 0.00 0.00 0.00 0.00 46.02 44.37 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 -3.06 0.81 -3.45 1.61 1.56 -1.26 -4.91 117.12 108.42 2yql n MET 47 Ca -0.04 0.10 -0.34 0.00 -0.27 0.00 0.00 57.70 57.15 2yql n MET 47 Cb 0.31 -2.64 -0.06 0.00 2.15 0.00 0.00 33.22 32.99 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 9.81 3.55 -0.03 1.12 -0.00 -1.26 -5.09 118.94 127.04 2yql s TRP 48 Ca 1.12 0.92 -0.01 0.00 -0.00 0.00 0.00 56.10 58.12 2yql s TRP 48 Cb -0.67 -2.27 0.03 0.00 -0.00 0.00 0.00 33.47 30.57 2yql s TRP 48 CO 0.39 0.42 0.05 0.42 -0.00 0.00 0.00 176.95 178.23 2yql s ILE 49 N -1.54 -0.08 0.72 5.86 1.01 -1.26 -3.78 121.20 122.15 2yql s ILE 49 Ca 0.39 0.26 -0.16 0.00 0.00 0.00 0.00 60.65 61.14 2yql s ILE 49 Cb -0.14 -0.12 -0.03 0.00 0.01 0.00 0.00 42.46 42.18 2yql s ILE 49 CO 0.20 0.11 0.59 0.00 0.00 0.00 0.00 174.94 175.84 2yql n PRO 51 N -0.91 0.07 0.16 0.00 -0.04 -1.26 -2.32 135.00 130.70 2yql n PRO 51 Ca 0.10 0.32 0.05 0.00 -0.04 0.00 0.00 63.50 63.93 2yql n PRO 51 Cb 0.50 -1.63 0.09 0.00 -0.04 0.00 0.00 33.50 32.41 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 -1.93 -3.14 114.38 112.33 2yql h ARG 52 Ca 0.00 0.00 -0.08 0.00 -1.26 0.00 0.00 59.98 58.64 2yql h ARG 52 Cb 0.28 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.59 2yql h ARG 52 CO 0.00 0.39 -0.55 0.00 0.56 0.00 0.00 179.97 180.37 2yql h GLN 54 N -1.00 0.07 -6.90 0.00 1.08 -1.68 -3.40 115.11 103.28 2yql h GLN 54 Ca -0.12 -0.00 -0.50 0.00 -1.45 0.00 0.00 58.65 56.58 2yql h GLN 54 Cb 0.83 -0.02 0.03 0.00 -0.05 0.00 0.00 27.48 28.27 2yql h GLN 54 CO -0.07 0.05 0.46 -0.51 -0.95 0.00 0.00 178.83 177.80 2yql s ASP 55 N -5.75 6.88 0.00 1.46 1.11 -1.18 -5.13 116.67 114.05 2yql s ASP 55 Ca -0.06 2.20 0.00 0.00 0.18 0.00 0.00 52.55 54.88 2yql s ASP 55 Cb 0.21 -2.61 0.00 0.00 1.07 0.00 0.00 42.92 41.60 2yql s ASP 55 CO 0.77 -0.41 0.36 0.00 1.18 0.00 0.00 175.17 177.07