#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yso s SER 2 N 0.00 -0.53 0.42 1.61 1.04 -1.26 -5.18 113.70 109.80 2yso s SER 2 Ca 0.00 0.80 0.03 0.00 0.48 0.00 0.00 55.95 57.27 2yso s SER 2 Cb 0.00 1.36 -0.03 0.00 0.10 0.00 0.00 66.02 67.45 2yso s SER 2 CO 0.00 -0.12 0.07 -0.94 0.98 0.00 0.00 173.24 173.23 2yso s SER 3 N 1.72 3.13 0.00 7.02 1.04 -1.26 -5.13 113.70 120.22 2yso s SER 3 Ca -0.07 -1.59 0.00 0.00 0.48 0.00 0.00 55.95 54.77 2yso s SER 3 Cb -0.04 0.33 0.00 0.00 0.10 0.00 0.00 66.02 66.41 2yso s SER 3 CO -0.16 -0.82 0.00 0.61 0.98 0.00 0.00 173.24 173.86 2yso n GLY 4 N -0.96 1.72 2.85 7.32 0.00 -1.26 -5.14 105.19 109.72 2yso n GLY 4 Ca -0.09 0.10 -0.25 0.00 0.00 0.00 0.00 46.02 45.78 2yso n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2yso s SER 5 N 1.67 1.95 0.13 1.61 0.15 -1.26 -5.05 113.70 112.90 2yso s SER 5 Ca 0.00 -0.22 -0.28 0.00 0.70 0.00 0.00 55.95 56.15 2yso s SER 5 Cb 0.00 -0.68 -0.08 0.00 -1.71 0.00 0.00 66.02 63.55 2yso s SER 5 CO 0.00 -0.15 1.48 0.77 1.20 0.00 0.00 173.24 176.54 2yso h SER 6 N 8.24 -1.77 -5.38 5.45 4.64 -2.06 -3.44 113.55 119.22 2yso h SER 6 Ca -0.26 0.25 -0.13 0.00 -0.47 0.00 0.00 61.79 61.19 2yso h SER 6 Cb 1.13 0.76 -0.11 0.00 -0.31 0.00 0.00 62.40 63.86 2yso h SER 6 CO 0.35 -0.28 -0.31 -0.83 -0.87 0.00 0.00 176.83 174.89 2yso s GLY 7 N -2.25 0.90 -0.00 -0.77 0.00 -1.26 -5.17 107.32 98.76 2yso s GLY 7 Ca -0.12 -1.20 0.03 0.00 0.00 0.00 0.00 44.72 43.43 2yso s GLY 7 CO 0.54 -0.92 -0.10 -1.35 0.00 0.00 0.00 173.10 171.27 2yso s SER 8 N -3.08 1.14 -0.66 1.64 1.04 -1.26 -4.82 113.70 107.71 2yso s SER 8 Ca 0.29 -0.19 -0.03 0.00 0.48 0.00 0.00 55.95 56.50 2yso s SER 8 Cb 0.02 -0.12 0.00 0.00 0.10 0.00 0.00 66.02 66.02 2yso s SER 8 CO 0.10 0.11 0.57 -1.14 0.98 0.00 0.00 173.24 173.86 2yso n ARG 9 N 2.78 -3.81 -4.08 4.02 0.63 -1.26 -5.05 116.66 109.90 2yso n ARG 9 Ca -0.14 0.42 -0.12 0.00 -0.92 0.00 0.00 57.85 57.10 2yso n ARG 9 Cb 0.57 -4.21 -0.11 0.00 0.45 0.00 0.00 32.46 29.15 2yso n ARG 9 CO 0.00 0.00 0.00 -1.83 -2.51 0.00 0.00 177.63 173.29 2yso s GLU 10 N -5.32 0.57 0.01 -0.14 -1.05 -1.26 -5.16 118.70 106.35 2yso s GLU 10 Ca 0.19 -0.89 -0.00 0.00 -0.15 0.00 0.00 54.97 54.12 2yso s GLU 10 Cb -0.08 -0.20 -0.01 0.00 -0.44 0.00 0.00 34.13 33.40 2yso s GLU 10 CO 0.37 0.01 -0.01 0.15 0.95 0.00 0.00 175.26 176.74 2yso s LYS 11 N -2.18 0.21 0.51 -4.83 -0.14 -1.26 -5.13 119.74 106.92 2yso s LYS 11 Ca -0.05 -0.37 0.04 0.00 -1.36 0.00 0.00 55.97 54.23 2yso s LYS 11 Cb -0.06 0.08 0.00 0.00 -1.68 0.00 0.00 37.83 36.17 2yso s LYS 11 CO -0.01 -0.04 0.18 -1.12 -0.76 0.00 0.00 175.35 173.60 2yso s SER 12 N -0.92 4.36 0.07 2.83 0.01 -1.26 -5.05 113.70 113.74 2yso s SER 12 Ca -0.10 -1.41 0.03 0.00 1.31 0.00 0.00 55.95 55.77 2yso s SER 12 Cb -0.06 0.33 -0.03 0.00 0.21 0.00 0.00 66.02 66.46 2yso s SER 12 CO -0.01 -0.90 -0.09 -1.00 0.41 0.00 0.00 173.24 171.65 2yso s HIS 13 N -2.80 0.86 -0.06 2.43 3.76 -1.25 -5.08 115.29 113.16 2yso s HIS 13 Ca 0.22 -0.60 -0.01 0.00 -0.15 0.00 0.00 55.06 54.53 2yso s HIS 13 Cb 0.01 -0.50 0.03 0.00 1.11 0.00 0.00 32.58 33.23 2yso s HIS 13 CO 0.13 -0.06 -0.01 -1.14 -0.85 0.00 0.00 174.74 172.81 2yso s GLN 14 N -2.24 0.65 -0.39 1.40 0.74 -1.26 -2.82 119.66 115.74 2yso s GLN 14 Ca -0.02 0.05 -0.26 0.00 0.05 0.00 0.00 55.36 55.18 2yso s GLN 14 Cb -0.06 -0.92 0.02 0.00 1.10 0.00 0.00 33.01 33.15 2yso s GLN 14 CO -0.00 -0.24 0.97 0.00 -0.55 0.00 0.00 175.29 175.46 2yso h ARG 16 N 8.61 0.69 -0.79 0.00 2.43 -1.96 1.11 114.38 124.46 2yso h ARG 16 Ca -0.23 -0.47 0.16 0.00 -0.81 0.00 0.00 59.98 58.63 2yso h ARG 16 Cb 1.07 0.07 -0.15 0.00 -0.42 0.00 0.00 29.97 30.54 2yso h ARG 16 CO 1.01 1.09 -0.20 0.39 -1.51 0.00 0.00 179.97 180.75 2yso n GLU 17 N -4.16 -0.08 -0.04 0.20 -0.58 -1.26 -3.29 120.64 111.44 2yso n GLU 17 Ca -0.06 1.23 -0.07 0.00 -0.42 0.00 0.00 57.16 57.84 2yso n GLU 17 Cb 0.59 -1.83 -0.03 0.00 -0.57 0.00 0.00 31.44 29.60 2yso n GLU 17 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2yso n GLY 19 N 2.81 0.69 3.05 0.00 0.00 0.38 -5.09 105.19 107.03 2yso n GLY 19 Ca -0.13 -0.74 -0.09 0.00 0.00 0.00 0.00 46.02 45.05 2yso n GLY 19 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2yso s GLU 20 N -0.96 0.43 -0.23 1.61 2.56 -0.98 -4.93 118.70 116.21 2yso s GLU 20 Ca 0.00 -0.65 -0.03 0.00 0.00 0.00 0.00 54.97 54.29 2yso s GLU 20 Cb 0.00 0.16 0.00 0.00 2.00 0.00 0.00 34.13 36.30 2yso s GLU 20 CO 0.00 -0.09 -0.06 0.42 -0.56 0.00 0.00 175.26 174.97 2yso s ILE 21 N -1.89 3.13 -0.14 -3.70 1.01 -1.26 -0.19 121.20 118.15 2yso s ILE 21 Ca -0.11 -0.69 -0.06 0.00 0.00 0.00 0.00 60.65 59.78 2yso s ILE 21 Cb -0.06 -2.47 -0.04 0.00 0.01 0.00 0.00 42.46 39.90 2yso s ILE 21 CO -0.02 0.36 0.08 -0.36 0.00 0.00 0.00 174.94 175.00 2yso s PHE 22 N 1.42 3.36 -0.03 3.97 0.40 -1.13 -5.02 117.98 120.96 2yso s PHE 22 Ca 0.04 0.29 -0.26 0.00 -0.60 0.00 0.00 56.93 56.40 2yso s PHE 22 Cb -0.15 -1.96 -0.20 0.00 0.51 0.00 0.00 43.02 41.22 2yso s PHE 22 CO -0.04 0.46 1.19 0.74 0.70 0.00 0.00 175.22 178.26 2yso h PHE 23 N 5.67 -0.04 -3.12 0.36 0.04 -1.98 -3.32 116.94 114.55 2yso h PHE 23 Ca -0.47 -0.00 -0.59 0.00 2.80 0.00 0.00 57.97 59.71 2yso h PHE 23 Cb 1.19 0.01 -0.04 0.00 2.20 0.00 0.00 35.95 39.32 2yso h PHE 23 CO 0.65 0.48 -0.31 -0.65 -0.60 0.00 0.00 178.31 177.88 2yso s GLN 24 N -4.03 3.64 -0.03 1.51 -0.21 -1.26 -4.87 119.66 114.41 2yso s GLN 24 Ca -0.16 -0.03 -0.21 0.00 0.02 0.00 0.00 55.36 54.98 2yso s GLN 24 Cb 0.01 -2.91 -0.13 0.00 1.00 0.00 0.00 33.01 30.98 2yso s GLN 24 CO 0.65 0.51 0.90 -0.92 -2.12 0.00 0.00 175.29 174.31 2yso h TYR 25 N 3.17 -0.42 -1.34 0.91 3.20 -1.97 -3.08 116.97 117.43 2yso h TYR 25 Ca -0.47 -0.01 0.39 0.00 3.14 0.00 0.00 58.73 61.78 2yso h TYR 25 Cb 1.17 0.14 -0.05 0.00 1.54 0.00 0.00 36.73 39.53 2yso h TYR 25 CO 0.63 -0.10 1.15 0.28 -1.64 0.00 0.00 178.16 178.48 2yso h VAL 26 N -0.98 0.11 0.07 1.81 2.07 -1.99 0.39 116.25 117.74 2yso h VAL 26 Ca -0.05 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.47 2yso h VAL 26 Cb 0.51 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.42 2yso h VAL 26 CO 0.08 0.00 -0.03 -1.28 0.02 0.00 0.00 177.57 176.35 2yso h SER 27 N 0.00 -0.08 0.91 0.57 0.87 -1.96 -3.02 113.55 110.83 2yso h SER 27 Ca 0.64 -0.54 -0.04 0.00 -1.23 0.00 0.00 61.79 60.61 2yso h SER 27 Cb 2.93 0.02 0.01 0.00 -0.44 0.00 0.00 62.40 64.92 2yso h SER 27 CO -0.01 0.57 -0.44 0.25 -0.53 0.00 0.00 176.83 176.68 2yso h LEU 28 N -0.81 -1.03 -1.13 2.23 5.85 -0.20 -1.29 115.31 118.94 2yso h LEU 28 Ca -0.01 0.04 0.36 0.00 0.84 0.00 0.00 57.88 59.11 2yso h LEU 28 Cb 0.61 0.27 -0.15 0.00 0.37 0.00 0.00 40.66 41.77 2yso h LEU 28 CO 0.02 -0.72 0.64 -0.29 -0.34 0.00 0.00 178.44 177.75 2yso h ILE 29 N -1.25 0.22 -0.11 4.05 2.10 -1.38 1.21 117.51 122.34 2yso h ILE 29 Ca -0.12 -0.07 -0.16 0.00 1.08 0.00 0.00 64.86 65.58 2yso h ILE 29 Cb 0.93 -0.01 -0.01 0.00 -1.09 0.00 0.00 36.82 36.64 2yso h ILE 29 CO 0.20 0.04 -0.62 -0.33 -1.08 0.00 0.00 178.15 176.37 2yso h GLU 30 N 0.21 0.37 0.37 2.19 3.07 -1.36 -3.15 114.58 116.28 2yso h GLU 30 Ca 0.77 -0.26 -0.02 0.00 -0.50 0.00 0.00 59.36 59.35 2yso h GLU 30 Cb 1.99 0.04 0.00 0.00 -0.84 0.00 0.00 28.75 29.95 2yso h GLU 30 CO -0.57 0.87 -0.18 1.25 -1.40 0.00 0.00 179.01 178.99 2yso h HIS 31 N 0.28 -0.46 -0.94 4.33 -0.00 0.26 -3.19 115.15 115.43 2yso h HIS 31 Ca -0.01 -0.01 0.28 0.00 -0.00 0.00 0.00 60.37 60.63 2yso h HIS 31 Cb 1.15 0.15 -0.15 0.00 -0.00 0.00 0.00 27.41 28.56 2yso h HIS 31 CO 0.03 -0.13 0.37 -0.56 -0.00 0.00 0.00 177.93 177.64 2yso h GLN 32 N -0.90 0.23 -1.18 5.26 3.07 -1.14 0.48 115.11 120.93 2yso h GLN 32 Ca -0.05 -0.01 0.35 0.00 0.09 0.00 0.00 58.65 59.03 2yso h GLN 32 Cb 0.54 -0.05 -0.11 0.00 0.08 0.00 0.00 27.48 27.94 2yso h GLN 32 CO 0.08 0.15 0.77 0.28 0.09 0.00 0.00 178.83 180.20 2yso h VAL 33 N 0.24 0.32 0.37 1.86 2.07 -1.52 0.80 116.25 120.38 2yso h VAL 33 Ca 0.64 -0.08 -0.02 0.00 0.82 0.00 0.00 66.70 68.06 2yso h VAL 33 Cb 1.38 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 31.23 2yso h VAL 33 CO -0.65 0.04 -0.18 -0.07 0.02 0.00 0.00 177.57 176.73 2yso h LEU 34 N 0.22 -0.42 -0.83 2.57 3.38 -0.15 -3.01 115.31 117.08 2yso h LEU 34 Ca 0.71 0.00 0.14 0.00 0.09 0.00 0.00 57.88 58.82 2yso h LEU 34 Cb 2.07 0.11 -0.14 0.00 0.09 0.00 0.00 40.66 42.79 2yso h LEU 34 CO -0.35 -0.28 -0.29 1.41 0.09 0.00 0.00 178.44 179.02 2yso n HIS 35 N -5.30 0.10 -1.70 1.13 8.25 0.27 -4.39 115.22 113.59 2yso n HIS 35 Ca -0.11 1.02 -0.63 0.00 -0.26 0.00 0.00 57.72 57.74 2yso n HIS 35 Cb 0.22 -0.86 -0.09 0.00 1.12 0.00 0.00 29.99 30.38 2yso n HIS 35 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 2yso n MET 36 N -5.26 0.46 0.00 -0.41 2.81 -1.14 -4.80 117.12 108.78 2yso n MET 36 Ca 0.10 0.16 0.00 0.00 -1.81 0.00 0.00 57.70 56.15 2yso n MET 36 Cb 0.36 -1.75 0.00 0.00 -0.71 0.00 0.00 33.22 31.12 2yso n MET 36 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2yso n GLY 37 N 4.32 3.53 3.07 3.03 0.00 -1.26 -5.06 105.19 112.82 2yso n GLY 37 Ca 0.31 -0.16 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 2yso n GLY 37 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2yso s GLN 38 N 3.93 2.66 -0.11 1.61 2.00 -1.26 -5.01 119.66 123.48 2yso s GLN 38 Ca 0.00 -0.70 -0.02 0.00 -2.00 0.00 0.00 55.36 52.64 2yso s GLN 38 Cb 0.00 -2.34 0.01 0.00 0.80 0.00 0.00 33.01 31.48 2yso s GLN 38 CO 0.00 -0.21 2.36 1.63 -0.50 0.00 0.00 175.29 178.56 2yso n LYS 39 N 4.67 1.48 0.00 1.67 4.76 -1.26 -3.79 118.16 125.69 2yso n LYS 39 Ca -0.19 -0.73 0.00 0.00 -2.87 0.00 0.00 58.31 54.52 2yso n LYS 39 Cb 0.50 -1.41 0.00 0.00 -1.84 0.00 0.00 35.03 32.28 2yso n LYS 39 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 2yso n ASN 40 N 1.36 0.04 -4.00 4.39 5.15 -1.26 -5.09 115.26 115.85 2yso n ASN 40 Ca 0.19 0.01 -0.14 0.00 -0.60 0.00 0.00 54.58 54.04 2yso n ASN 40 Cb 0.60 -0.01 -0.13 0.00 -0.53 0.00 0.00 39.78 39.71 2yso n ASN 40 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 2yso s SER 41 N -5.04 0.65 0.00 1.20 1.04 -1.25 -5.07 113.70 105.24 2yso s SER 41 Ca 0.00 -0.30 0.00 0.00 0.48 0.00 0.00 55.95 56.13 2yso s SER 41 Cb 0.00 -0.01 0.00 0.00 0.10 0.00 0.00 66.02 66.11 2yso s SER 41 CO 0.00 -0.07 0.00 0.61 0.98 0.00 0.00 173.24 174.76 2yso n GLY 42 N 2.27 0.10 3.77 7.32 0.00 -1.26 -4.78 105.19 112.61 2yso n GLY 42 Ca -0.18 0.14 -0.36 0.00 0.00 0.00 0.00 46.02 45.63 2yso n GLY 42 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2yso s PRO 43 N 0.00 3.45 -1.43 1.61 0.04 -1.26 -3.42 135.00 133.98 2yso s PRO 43 Ca 0.00 1.65 -0.09 0.00 0.04 0.00 0.00 61.00 62.60 2yso s PRO 43 Cb 0.00 -2.10 0.03 0.00 0.04 0.00 0.00 34.50 32.47 2yso s PRO 43 CO 0.00 -0.78 1.01 0.45 0.04 0.00 0.00 177.00 177.72 2yso n SER 44 N -1.11 -5.94 -4.48 6.66 2.88 -1.26 -2.05 113.62 108.32 2yso n SER 44 Ca 0.11 -0.53 -0.40 0.00 -1.33 0.00 0.00 58.87 56.71 2yso n SER 44 Cb 0.50 -4.72 -0.08 0.00 -0.75 0.00 0.00 64.21 59.17 2yso n SER 44 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2yso n SER 45 N -2.86 -1.44 0.00 -3.46 3.41 -1.22 -5.28 113.62 102.77 2yso n SER 45 Ca -0.01 -1.24 0.00 0.00 -0.26 0.00 0.00 58.87 57.36 2yso n SER 45 Cb 0.56 -1.69 0.00 0.00 -0.26 0.00 0.00 64.21 62.83 2yso n SER 45 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49