#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ssl s SER 2 N 0.00 5.86 -0.20 1.61 0.01 -1.26 -5.12 113.70 114.60 1ssl s SER 2 Ca 0.00 -0.06 -0.18 0.00 1.31 0.00 0.00 55.95 57.03 1ssl s SER 2 Cb 0.00 -1.62 0.05 0.00 0.21 0.00 0.00 66.02 64.66 1ssl s SER 2 CO 0.00 0.01 0.52 0.00 0.41 0.00 0.00 173.24 174.18 1ssl s ALA 3 N -1.90 -1.30 -0.04 1.44 0.00 -1.26 -5.04 121.76 113.65 1ssl s ALA 3 Ca 0.33 1.51 0.12 0.00 0.00 0.00 0.00 51.96 53.92 1ssl s ALA 3 Cb -0.09 -0.88 0.22 0.00 0.00 0.00 0.00 23.12 22.37 1ssl s ALA 3 CO 0.26 -0.25 1.10 0.00 0.00 0.00 0.00 175.76 176.87 1ssl n MET 4 N 2.91 0.36 0.00 0.00 0.00 -1.26 -5.05 117.12 114.07 1ssl n MET 4 Ca -0.14 -1.79 0.00 0.00 0.00 0.00 0.00 57.70 55.77 1ssl n MET 4 Cb 0.56 -0.61 0.00 0.00 0.00 0.00 0.00 33.22 33.18 1ssl n MET 4 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1ssl n GLY 5 N -0.17 3.74 0.36 3.17 0.00 -1.26 -4.86 105.19 106.16 1ssl n GLY 5 Ca 0.06 -0.60 -0.03 0.00 0.00 0.00 0.00 46.02 45.46 1ssl n GLY 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ssl h ARG 7 N 1.26 0.44 -0.30 0.00 9.65 -1.90 -0.20 114.38 123.33 1ssl h ARG 7 Ca 0.33 -0.03 -0.11 0.00 -1.10 0.00 0.00 59.98 59.08 1ssl h ARG 7 Cb -0.10 -0.10 -0.01 0.00 -1.39 0.00 0.00 29.97 28.37 1ssl h ARG 7 CO -0.07 0.29 -0.28 1.25 2.80 0.00 0.00 179.97 183.97 1ssl h HIS 8 N 0.45 0.69 -1.50 2.20 -0.00 -1.58 -3.44 115.15 111.97 1ssl h HIS 8 Ca 0.25 -0.16 -0.75 0.00 -0.00 0.00 0.00 60.37 59.71 1ssl h HIS 8 Cb 0.41 -0.16 0.02 0.00 -0.00 0.00 0.00 27.41 27.67 1ssl h HIS 8 CO -0.00 0.82 0.87 1.19 -0.00 0.00 0.00 177.93 180.80 1ssl n PHE 9 N -4.09 2.01 0.02 5.26 3.01 -0.09 -4.88 117.46 118.69 1ssl n PHE 9 Ca -0.00 0.59 -0.01 0.00 1.01 0.00 0.00 57.45 59.04 1ssl n PHE 9 Cb 0.44 -2.44 -0.00 0.00 -0.01 0.00 0.00 39.48 37.47 1ssl n PHE 9 CO 0.00 0.00 0.00 1.96 1.01 0.00 0.00 176.76 179.73 1ssl h GLN 10 N 6.93 -0.05 -7.76 -1.08 1.08 -1.86 -3.45 115.11 108.92 1ssl h GLN 10 Ca -0.46 0.00 -0.45 0.00 -1.45 0.00 0.00 58.65 56.29 1ssl h GLN 10 Cb 1.32 0.01 0.14 0.00 -0.05 0.00 0.00 27.48 28.91 1ssl h GLN 10 CO 0.96 -0.03 0.42 -1.12 -0.95 0.00 0.00 178.83 178.10 1ssl s SER 11 N -2.50 3.52 0.25 1.46 0.01 -1.26 -4.78 113.70 110.39 1ssl s SER 11 Ca -0.01 0.43 0.26 0.00 1.31 0.00 0.00 55.95 57.94 1ssl s SER 11 Cb 0.00 -0.61 0.73 0.00 0.21 0.00 0.00 66.02 66.35 1ssl s SER 11 CO 0.02 -2.49 1.74 0.00 0.41 0.00 0.00 173.24 172.92 1ssl h SER 13 N 0.00 -1.81 0.23 0.00 0.87 -1.97 -0.61 113.55 110.26 1ssl h SER 13 Ca 0.00 0.25 -0.15 0.00 -1.23 0.00 0.00 61.79 60.66 1ssl h SER 13 Cb 0.78 0.76 -0.01 0.00 -0.44 0.00 0.00 62.40 63.49 1ssl h SER 13 CO 0.00 -0.38 -0.57 -0.61 -0.53 0.00 0.00 176.83 174.73 1ssl h GLN 14 N -0.35 0.35 -1.01 2.24 5.75 -1.95 -0.92 115.11 119.21 1ssl h GLN 14 Ca 0.10 -0.23 0.24 0.00 -0.15 0.00 0.00 58.65 58.61 1ssl h GLN 14 Cb 0.58 0.03 -0.10 0.00 1.07 0.00 0.00 27.48 29.06 1ssl h GLN 14 CO -0.63 0.83 0.64 0.00 -2.65 0.00 0.00 178.83 177.02 1ssl n LEU 16 N -4.68 1.10 -0.18 0.00 4.32 -0.75 -4.44 117.00 112.37 1ssl n LEU 16 Ca 0.25 -0.69 0.12 0.00 -0.02 0.00 0.00 56.01 55.66 1ssl n LEU 16 Cb 0.78 0.00 0.23 0.00 -1.62 0.00 0.00 43.42 42.81 1ssl n LEU 16 CO 0.24 0.23 0.47 -1.20 -1.22 0.00 0.00 177.39 175.90 1ssl n SER 17 N -0.50 0.99 -3.08 -1.43 7.64 -0.36 -4.42 113.62 112.47 1ssl n SER 17 Ca 0.04 -0.79 -0.16 0.00 1.01 0.00 0.00 58.87 58.98 1ssl n SER 17 Cb 0.22 0.31 -0.00 0.00 -1.01 0.00 0.00 64.21 63.73 1ssl n SER 17 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ssl n ALA 18 N -0.92 1.56 0.14 -0.43 0.00 -0.68 -4.93 120.51 115.25 1ssl n ALA 18 Ca 0.09 -3.02 0.00 0.00 0.00 0.00 0.00 53.44 50.51 1ssl n ALA 18 Cb 0.36 -0.97 0.18 0.00 0.00 0.00 0.00 19.45 19.01 1ssl n ALA 18 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1ssl h PRO 19 N 2.99 0.00 0.00 0.00 0.13 -1.79 -3.07 132.00 130.26 1ssl h PRO 19 Ca 0.05 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 65.08 1ssl h PRO 19 Cb 1.01 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.12 1ssl h PRO 19 CO 0.43 0.59 -0.47 -1.00 -0.23 0.00 0.00 178.00 177.32 1ssl h PRO 20 N 0.00 0.00 -0.64 1.56 0.13 -1.96 -3.07 132.00 128.02 1ssl h PRO 20 Ca -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 1ssl h PRO 20 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1ssl h PRO 20 CO 0.08 0.47 0.00 1.19 -0.23 0.00 0.00 178.00 179.50 1ssl n PHE 21 N -3.37 0.87 -3.76 1.56 3.72 -1.20 -4.96 117.46 110.32 1ssl n PHE 21 Ca 0.01 -0.43 -0.05 0.00 -0.05 0.00 0.00 57.45 56.93 1ssl n PHE 21 Cb 0.64 -0.01 -0.01 0.00 -0.94 0.00 0.00 39.48 39.16 1ssl n PHE 21 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 176.76 178.04 1ssl n VAL 22 N 1.35 0.00 0.00 -4.37 0.24 -1.16 -4.47 118.33 109.92 1ssl n VAL 22 Ca 0.21 -0.56 0.00 0.00 -2.04 0.00 0.00 64.34 61.96 1ssl n VAL 22 Cb 0.55 0.33 0.00 0.00 -1.47 0.00 0.00 33.84 33.25 1ssl n VAL 22 CO 0.00 0.00 0.00 1.67 -2.14 0.00 0.00 176.83 176.36 1ssl n GLN 23 N -0.18 0.77 -0.97 7.34 -0.06 -1.26 -4.87 117.38 118.16 1ssl n GLN 23 Ca 0.00 0.00 -0.29 0.00 -2.00 0.00 0.00 57.00 54.71 1ssl n GLN 23 Cb 0.18 -0.58 0.22 0.00 -4.06 0.00 0.00 30.24 25.99 1ssl n GLN 23 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1ssl n GLY 25 N -0.51 2.29 3.81 0.00 0.00 0.40 -4.85 105.19 106.33 1ssl n GLY 25 Ca 0.07 -1.58 -0.38 0.00 0.00 0.00 0.00 46.02 44.13 1ssl n GLY 25 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1ssl s TRP 26 N -3.26 3.78 -0.31 1.61 -0.11 0.17 0.27 118.94 121.09 1ssl s TRP 26 Ca 0.24 1.28 -0.02 0.00 1.22 0.00 0.00 56.10 58.83 1ssl s TRP 26 Cb -0.01 -2.51 0.11 0.00 -1.50 0.00 0.00 33.47 29.56 1ssl s TRP 26 CO 0.18 0.55 0.13 0.00 -4.62 0.00 0.00 176.95 173.19 1ssl n HIS 28 N 4.84 0.00 0.00 0.00 -0.00 -1.26 -2.71 115.22 116.09 1ssl n HIS 28 Ca -0.01 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.17 1ssl n HIS 28 Cb 0.41 -0.84 0.00 0.00 -0.12 0.00 0.00 29.99 29.44 1ssl n HIS 28 CO 0.00 0.00 0.00 -3.47 0.46 0.00 0.00 176.34 173.33 1ssl n ASP 29 N 0.00 0.00 -4.94 0.26 2.03 -1.26 -5.14 116.55 107.50 1ssl n ASP 29 Ca 0.00 0.00 -0.27 0.00 0.52 0.00 0.00 54.79 55.04 1ssl n ASP 29 Cb 0.00 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.37 1ssl n ASP 29 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 1ssl s LYS 30 N 0.00 3.43 -0.57 -0.67 2.47 -1.10 -4.95 119.74 118.35 1ssl s LYS 30 Ca 0.00 -0.57 -0.24 0.00 -1.56 0.00 0.00 55.97 53.60 1ssl s LYS 30 Cb 0.00 -2.97 0.05 0.00 -1.46 0.00 0.00 37.83 33.44 1ssl s LYS 30 CO 0.00 0.54 0.93 0.00 0.16 0.00 0.00 175.35 176.98 1ssl s VAL 32 N 3.92 0.00 0.46 0.00 -7.23 0.76 -4.51 120.40 113.80 1ssl s VAL 32 Ca 0.28 -1.31 0.06 0.00 -1.81 0.00 0.00 61.98 59.20 1ssl s VAL 32 Cb -0.14 -2.52 -0.01 0.00 0.56 0.00 0.00 36.38 34.26 1ssl s VAL 32 CO 0.17 0.00 0.28 -0.60 -0.31 0.00 0.00 175.10 174.64 1ssl s ARG 33 N -3.19 2.30 0.32 4.82 3.52 -1.26 -0.45 118.95 125.00 1ssl s ARG 33 Ca 0.22 -1.87 0.09 0.00 -0.13 0.00 0.00 55.73 54.04 1ssl s ARG 33 Cb -0.02 -2.07 0.91 0.00 -1.56 0.00 0.00 34.95 32.20 1ssl s ARG 33 CO 0.13 -0.31 1.67 0.66 -0.81 0.00 0.00 175.30 176.64 1ssl h SER 34 N 1.11 0.38 0.16 -2.12 4.64 -1.92 1.00 113.55 116.80 1ssl h SER 34 Ca -0.41 0.18 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 1ssl h SER 34 Cb 1.28 0.16 0.00 0.00 -0.31 0.00 0.00 62.40 63.52 1ssl h SER 34 CO 0.63 -0.09 0.00 1.05 -0.87 0.00 0.00 176.83 177.56 1ssl h GLU 35 N 0.34 0.00 0.00 4.77 4.11 -1.96 -2.56 114.58 119.28 1ssl h GLU 35 Ca 0.65 0.00 0.00 0.00 0.07 0.00 0.00 59.36 60.08 1ssl h GLU 35 Cb 1.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.62 1ssl h GLU 35 CO -0.59 0.00 -0.24 0.39 0.07 0.00 0.00 179.01 178.64 1ssl n GLU 36 N -2.38 5.40 -2.24 1.06 4.71 0.31 -5.01 120.64 122.49 1ssl n GLU 36 Ca -0.01 -0.00 -0.42 0.00 -0.01 0.00 0.00 57.16 56.72 1ssl n GLU 36 Cb 0.08 -0.64 -0.03 0.00 -1.01 0.00 0.00 31.44 29.85 1ssl n GLU 36 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1ssl h LEU 38 N 7.58 -0.22 0.00 0.00 -0.00 -1.91 -3.43 115.31 117.33 1ssl h LEU 38 Ca -0.40 0.02 0.00 0.00 -0.00 0.00 0.00 57.88 57.51 1ssl h LEU 38 Cb 1.19 0.08 0.00 0.00 -0.00 0.00 0.00 40.66 41.94 1ssl h LEU 38 CO 0.88 -0.08 0.00 -0.24 -0.00 0.00 0.00 178.44 179.00 1ssl n SER 39 N -2.87 -0.27 -2.69 -0.43 2.88 -1.26 -4.93 113.62 104.05 1ssl n SER 39 Ca -0.01 -0.54 -0.38 0.00 -1.33 0.00 0.00 58.87 56.61 1ssl n SER 39 Cb 0.06 0.00 0.05 0.00 -0.75 0.00 0.00 64.21 63.57 1ssl n SER 39 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ssl n GLY 40 N 3.99 5.67 3.09 0.46 0.00 -1.26 -4.94 105.19 112.21 1ssl n GLY 40 Ca 0.00 -2.43 -0.24 0.00 0.00 0.00 0.00 46.02 43.35 1ssl n GLY 40 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1ssl s THR 41 N -5.00 1.18 -0.03 2.61 -1.32 -1.26 -5.13 115.64 106.69 1ssl s THR 41 Ca 0.57 -0.59 -0.01 0.00 -1.21 0.00 0.00 61.69 60.45 1ssl s THR 41 Cb 0.46 -1.01 0.03 0.00 -1.51 0.00 0.00 72.50 70.47 1ssl s THR 41 CO -0.26 0.34 0.04 0.86 -2.21 0.00 0.00 174.62 173.39 1ssl s TRP 42 N 0.03 0.07 -0.01 9.09 -0.00 -1.26 -4.86 118.94 121.99 1ssl s TRP 42 Ca -0.02 0.17 0.05 0.00 -0.00 0.00 0.00 56.10 56.30 1ssl s TRP 42 Cb -0.10 -0.35 -0.03 0.00 -0.00 0.00 0.00 33.47 33.00 1ssl s TRP 42 CO 0.01 -0.13 -0.16 -0.08 -0.00 0.00 0.00 176.95 176.59 1ssl s THR 43 N 1.51 2.92 -0.03 5.86 -1.32 -0.03 -4.99 115.64 119.56 1ssl s THR 43 Ca -0.03 -0.93 0.04 0.00 -1.21 0.00 0.00 61.69 59.56 1ssl s THR 43 Cb -0.13 -2.18 0.06 0.00 -1.51 0.00 0.00 72.50 68.75 1ssl s THR 43 CO -0.03 0.48 1.02 1.67 -2.21 0.00 0.00 174.62 175.55 1ssl n GLN 44 N 1.98 2.56 -3.30 7.08 7.27 -1.26 -0.66 117.38 131.06 1ssl n GLN 44 Ca -0.17 -1.69 -0.07 0.00 0.07 0.00 0.00 57.00 55.14 1ssl n GLN 44 Cb 0.52 -1.09 -0.06 0.00 2.41 0.00 0.00 30.24 32.03 1ssl n GLN 44 CO 0.00 0.00 0.00 1.14 0.07 0.00 0.00 177.06 178.27 1ssl s GLN 45 N -1.35 0.41 0.00 3.69 1.03 -1.26 -4.76 119.66 117.42 1ssl s GLN 45 Ca 0.07 0.41 0.00 0.00 0.04 0.00 0.00 55.36 55.87 1ssl s GLN 45 Cb 0.06 -0.24 0.00 0.00 0.03 0.00 0.00 33.01 32.85 1ssl s GLN 45 CO 0.01 -0.84 0.00 1.51 -2.54 0.00 0.00 175.29 173.43 1ssl n ILE 46 N 5.37 0.00 -2.49 3.63 0.13 -1.26 -5.12 119.36 119.62 1ssl n ILE 46 Ca -0.01 0.00 -0.30 0.00 -1.10 0.00 0.00 62.75 61.34 1ssl n ILE 46 Cb 0.50 -0.08 -0.02 0.00 -0.84 0.00 0.00 39.64 39.20 1ssl n ILE 46 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35