#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 -0.57 0.12 1.61 0.15 -1.26 -5.18 113.70 108.58 2yso s SER 2 Ca 0.00 0.22 0.10 0.00 0.70 0.00 0.00 55.95 56.97 2yso s SER 2 Cb 0.00 0.55 -0.04 0.00 -1.71 0.00 0.00 66.02 64.82 2yso s SER 2 CO 0.00 -0.81 -0.24 -0.44 1.20 0.00 0.00 173.24 172.95 2yso s SER 3 N -2.22 2.99 0.00 5.45 0.01 -1.26 -5.04 113.70 113.63 2yso s SER 3 Ca -0.02 -0.73 0.00 0.00 1.31 0.00 0.00 55.95 56.51 2yso s SER 3 Cb -0.01 -0.19 0.00 0.00 0.21 0.00 0.00 66.02 66.04 2yso s SER 3 CO -0.06 0.13 0.00 0.61 0.41 0.00 0.00 173.24 174.33 2yso n GLY 4 N 0.97 1.50 0.26 3.44 0.00 -1.26 -5.09 105.19 105.01 2yso n GLY 4 Ca -0.19 -1.02 -0.06 0.00 0.00 0.00 0.00 46.02 44.75 2yso n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2yso n SER 5 N 0.00 1.47 -3.53 1.61 7.64 -1.26 -5.10 113.62 114.45 2yso n SER 5 Ca 0.00 0.24 -0.16 0.00 1.01 0.00 0.00 58.87 59.96 2yso n SER 5 Cb 0.00 -0.62 -0.05 0.00 -1.01 0.00 0.00 64.21 62.53 2yso n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2yso s SER 6 N -5.62 -0.58 0.17 6.43 0.15 -1.26 -5.12 113.70 107.87 2yso s SER 6 Ca -0.19 0.47 0.00 0.00 0.70 0.00 0.00 55.95 56.93 2yso s SER 6 Cb 0.03 0.53 0.00 0.00 -1.71 0.00 0.00 66.02 64.86 2yso s SER 6 CO 0.29 -0.68 0.00 0.61 1.20 0.00 0.00 173.24 174.66 2yso n GLY 7 N 0.63 -4.21 3.14 9.45 0.00 -1.26 -4.89 105.19 108.05 2yso n GLY 7 Ca -0.19 -0.68 -0.37 0.00 0.00 0.00 0.00 46.02 44.78 2yso n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yso s SER 8 N -1.29 6.16 -0.34 1.61 0.01 -1.26 -4.90 113.70 113.69 2yso s SER 8 Ca 0.00 -3.68 -0.01 0.00 1.31 0.00 0.00 55.95 53.57 2yso s SER 8 Cb 0.00 -1.95 0.21 0.00 0.21 0.00 0.00 66.02 64.49 2yso s SER 8 CO 0.00 -0.20 2.07 0.54 0.41 0.00 0.00 173.24 176.06 2yso n ARG 9 N 2.42 1.87 -0.11 12.44 1.74 -1.26 -4.09 116.66 129.68 2yso n ARG 9 Ca 0.21 -1.67 -0.15 0.00 -0.77 0.00 0.00 57.85 55.48 2yso n ARG 9 Cb 0.37 -1.67 -0.10 0.00 -1.02 0.00 0.00 32.46 30.04 2yso n ARG 9 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2yso n GLU 10 N 0.34 0.56 -1.14 5.56 -0.58 -1.26 -4.96 120.64 119.16 2yso n GLU 10 Ca 0.32 0.12 -0.53 0.00 -0.42 0.00 0.00 57.16 56.65 2yso n GLU 10 Cb 0.58 -1.43 -0.11 0.00 -0.57 0.00 0.00 31.44 29.91 2yso n GLU 10 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 2yso n LYS 11 N -3.11 0.00 -4.13 3.49 3.00 -1.26 -4.88 118.16 111.28 2yso n LYS 11 Ca -0.37 0.00 -0.11 0.00 -0.00 0.00 0.00 58.31 57.82 2yso n LYS 11 Cb 0.91 -1.36 -0.08 0.00 0.00 0.00 0.00 35.03 34.50 2yso n LYS 11 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.40 176.28 2yso s SER 12 N 5.61 0.11 -0.50 3.14 0.01 -1.26 -5.07 113.70 115.74 2yso s SER 12 Ca 1.09 -1.25 0.04 0.00 1.31 0.00 0.00 55.95 57.15 2yso s SER 12 Cb -1.34 0.46 0.41 0.00 0.21 0.00 0.00 66.02 65.76 2yso s SER 12 CO 0.59 -0.95 1.31 1.41 0.41 0.00 0.00 173.24 176.00 2yso n HIS 13 N -0.32 3.24 -1.96 2.43 8.25 -1.26 -5.04 115.22 120.57 2yso n HIS 13 Ca 0.01 -2.85 -0.39 0.00 -0.26 0.00 0.00 57.72 54.23 2yso n HIS 13 Cb 0.64 -0.36 0.01 0.00 1.12 0.00 0.00 29.99 31.41 2yso n HIS 13 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 2yso s GLN 14 N -3.65 3.59 0.28 -0.41 0.74 -1.26 -4.12 119.66 114.83 2yso s GLN 14 Ca 0.50 2.15 -0.05 0.00 0.05 0.00 0.00 55.36 58.01 2yso s GLN 14 Cb 0.41 -2.50 -0.05 0.00 1.10 0.00 0.00 33.01 31.97 2yso s GLN 14 CO -0.19 -0.80 0.55 0.00 -0.55 0.00 0.00 175.29 174.30 2yso n ARG 16 N -0.88 1.95 -0.25 0.00 1.74 -1.26 -3.07 116.66 114.89 2yso n ARG 16 Ca -0.02 -0.02 0.14 0.00 -0.77 0.00 0.00 57.85 57.18 2yso n ARG 16 Cb 0.54 -1.26 0.43 0.00 -1.02 0.00 0.00 32.46 31.15 2yso n ARG 16 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 2yso h GLU 17 N 0.00 0.56 0.00 5.56 5.08 -2.00 -3.36 114.58 120.42 2yso h GLU 17 Ca -0.22 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.11 2yso h GLU 17 Cb 1.40 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.52 2yso h GLU 17 CO 0.01 0.37 -0.45 0.00 -1.00 0.00 0.00 179.01 177.94 2yso n GLY 19 N 2.29 0.80 3.10 0.00 0.00 -1.17 -5.09 105.19 105.11 2yso n GLY 19 Ca 0.00 -0.60 -0.12 0.00 0.00 0.00 0.00 46.02 45.29 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 -0.49 0.30 -0.03 1.61 2.12 -1.22 -4.93 118.70 116.07 2yso s GLU 20 Ca 0.00 0.16 -0.16 0.00 0.36 0.00 0.00 54.97 55.33 2yso s GLU 20 Cb 0.00 0.14 -0.05 0.00 0.26 0.00 0.00 34.13 34.48 2yso s GLU 20 CO 0.00 -0.05 0.44 0.42 -0.54 0.00 0.00 175.26 175.53 2yso s ILE 21 N -0.19 5.04 0.35 -3.70 1.01 -1.26 -0.41 121.20 122.04 2yso s ILE 21 Ca -0.03 0.90 0.06 0.00 0.00 0.00 0.00 60.65 61.58 2yso s ILE 21 Cb -0.03 -3.76 -0.07 0.00 0.01 0.00 0.00 42.46 38.62 2yso s ILE 21 CO 0.01 0.51 0.01 -0.36 0.00 0.00 0.00 174.94 175.10 2yso s PHE 22 N -0.60 2.20 0.06 3.97 0.40 -1.26 -4.96 117.98 117.79 2yso s PHE 22 Ca 0.25 -0.78 -0.02 0.00 -0.60 0.00 0.00 56.93 55.78 2yso s PHE 22 Cb -0.17 -1.45 -0.01 0.00 0.51 0.00 0.00 43.02 41.91 2yso s PHE 22 CO 0.13 0.25 -0.04 1.19 0.70 0.00 0.00 175.22 177.46 2yso n PHE 23 N -0.78 0.00 -3.06 0.36 3.72 -1.26 -4.08 117.46 112.36 2yso n PHE 23 Ca -0.04 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 56.99 2yso n PHE 23 Cb 0.66 -0.06 -0.06 0.00 -0.94 0.00 0.00 39.48 39.08 2yso n PHE 23 CO 0.00 0.00 0.00 -1.14 -0.05 0.00 0.00 176.76 175.57 2yso s GLN 24 N -2.09 4.34 0.44 -1.08 2.00 -1.26 -4.89 119.66 117.12 2yso s GLN 24 Ca -0.03 0.96 0.13 0.00 -2.00 0.00 0.00 55.36 54.41 2yso s GLN 24 Cb 0.01 -2.97 0.98 0.00 0.80 0.00 0.00 33.01 31.83 2yso s GLN 24 CO 0.04 0.43 2.01 -0.92 -0.50 0.00 0.00 175.29 176.35 2yso h TYR 25 N 3.63 0.10 0.00 1.67 3.20 -2.00 -1.08 116.97 122.49 2yso h TYR 25 Ca -0.48 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.39 2yso h TYR 25 Cb 1.20 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 39.44 2yso h TYR 25 CO 0.64 0.21 0.00 0.28 -1.64 0.00 0.00 178.16 177.65 2yso h VAL 26 N 0.10 0.00 0.00 1.81 2.07 -2.00 -2.57 116.25 115.66 2yso h VAL 26 Ca 0.02 -0.41 -0.20 0.00 0.82 0.00 0.00 66.70 66.94 2yso h VAL 26 Cb 0.25 1.32 -0.03 0.00 -1.52 0.00 0.00 31.29 31.31 2yso h VAL 26 CO 0.01 0.00 -1.07 0.28 0.02 0.00 0.00 177.57 176.82 2yso h SER 27 N 0.00 0.00 0.03 0.57 0.02 -1.59 -3.05 113.55 109.53 2yso h SER 27 Ca 0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2yso h SER 27 Cb 0.45 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.99 2yso h SER 27 CO 0.00 0.86 -0.01 0.25 -1.14 0.00 0.00 176.83 176.79 2yso h LEU 28 N 0.00 -0.03 -1.14 5.07 5.85 -1.41 -2.45 115.31 121.20 2yso h LEU 28 Ca -0.07 -0.65 0.07 0.00 0.84 0.00 0.00 57.88 58.06 2yso h LEU 28 Cb 1.72 0.01 -0.06 0.00 0.37 0.00 0.00 40.66 42.70 2yso h LEU 28 CO 0.10 0.76 0.59 -0.29 -0.34 0.00 0.00 178.44 179.26 2yso h ILE 29 N -0.94 1.05 -0.32 4.05 2.10 -1.63 -0.48 117.51 121.34 2yso h ILE 29 Ca -0.00 -0.35 -0.16 0.00 1.08 0.00 0.00 64.86 65.42 2yso h ILE 29 Cb 0.68 -0.06 -0.01 0.00 -1.09 0.00 0.00 36.82 36.35 2yso h ILE 29 CO 0.01 0.19 -0.44 1.05 -1.08 0.00 0.00 178.15 177.87 2yso h GLU 30 N 1.02 0.83 -0.50 2.19 -0.00 -1.64 -3.18 114.58 113.31 2yso h GLU 30 Ca 0.40 -0.47 -0.05 0.00 -0.00 0.00 0.00 59.36 59.24 2yso h GLU 30 Cb 0.23 0.03 -0.02 0.00 -0.00 0.00 0.00 28.75 28.98 2yso h GLU 30 CO -0.15 1.10 0.11 1.25 -0.00 0.00 0.00 179.01 181.32 2yso h HIS 31 N 0.67 0.84 -1.00 2.06 2.76 -0.82 -2.90 115.15 116.75 2yso h HIS 31 Ca 0.04 -0.11 0.39 0.00 -2.20 0.00 0.00 60.37 58.49 2yso h HIS 31 Cb 1.03 -0.24 -0.17 0.00 1.55 0.00 0.00 27.41 29.58 2yso h HIS 31 CO 0.06 0.76 0.54 1.96 -1.30 0.00 0.00 177.93 179.94 2yso h GLN 32 N 0.68 0.10 -0.88 5.26 4.20 -1.10 0.89 115.11 124.26 2yso h GLN 32 Ca 0.15 -0.01 0.13 0.00 0.06 0.00 0.00 58.65 58.99 2yso h GLN 32 Cb 0.35 -0.02 -0.09 0.00 0.30 0.00 0.00 27.48 28.02 2yso h GLN 32 CO 0.00 0.06 0.49 0.28 -0.67 0.00 0.00 178.83 179.00 2yso h VAL 33 N 0.10 0.81 -1.26 -0.54 2.07 -1.62 -0.95 116.25 114.86 2yso h VAL 33 Ca 0.81 -0.26 0.42 0.00 0.82 0.00 0.00 66.70 68.50 2yso h VAL 33 Cb 2.05 -0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 31.68 2yso h VAL 33 CO -0.72 0.14 0.80 -0.07 0.02 0.00 0.00 177.57 177.73 2yso h LEU 34 N 0.75 0.28 -3.48 2.57 3.38 0.67 1.43 115.31 120.90 2yso h LEU 34 Ca 0.46 0.15 -0.39 0.00 0.09 0.00 0.00 57.88 58.20 2yso h LEU 34 Cb 0.56 0.14 -0.19 0.00 0.09 0.00 0.00 40.66 41.27 2yso h LEU 34 CO -0.31 -0.20 0.50 1.41 0.09 0.00 0.00 178.44 179.92 2yso n HIS 35 N -4.78 1.99 -0.07 1.13 8.25 -0.36 -3.97 115.22 117.42 2yso n HIS 35 Ca 0.37 -1.91 -0.17 0.00 -0.26 0.00 0.00 57.72 55.75 2yso n HIS 35 Cb 1.38 -0.94 -0.13 0.00 1.12 0.00 0.00 29.99 31.41 2yso n HIS 35 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2yso n MET 36 N -0.22 0.69 0.00 -0.41 0.00 0.49 -4.93 117.12 112.75 2yso n MET 36 Ca 0.39 0.19 0.00 0.00 0.00 0.00 0.00 57.70 58.27 2yso n MET 36 Cb 0.85 -1.62 0.00 0.00 0.00 0.00 0.00 33.22 32.45 2yso n MET 36 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2yso n GLY 37 N 2.02 0.00 0.33 3.17 0.00 -1.26 -5.02 105.19 104.43 2yso n GLY 37 Ca -0.36 0.00 0.24 0.00 0.00 0.00 0.00 46.02 45.90 2yso n GLY 37 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2yso h GLN 38 N 0.00 0.00 -4.99 1.61 5.75 -1.89 -3.40 115.11 112.19 2yso h GLN 38 Ca 0.00 -0.00 -0.64 0.00 -0.15 0.00 0.00 58.65 57.86 2yso h GLN 38 Cb 0.00 -0.00 -0.04 0.00 1.07 0.00 0.00 27.48 28.51 2yso h GLN 38 CO 0.00 0.00 1.12 1.63 -2.65 0.00 0.00 178.83 178.94 2yso n LYS 39 N -5.36 0.00 -3.06 1.69 4.01 -1.26 -4.84 118.16 109.34 2yso n LYS 39 Ca 0.32 0.00 -0.42 0.00 -0.51 0.00 0.00 58.31 57.70 2yso n LYS 39 Cb 1.06 -1.26 -0.06 0.00 -0.51 0.00 0.00 35.03 34.26 2yso n LYS 39 CO 0.00 0.00 0.00 -0.80 -1.11 0.00 0.00 177.40 175.49 2yso s ASN 40 N 5.15 6.47 0.02 4.39 0.01 -1.26 -4.98 114.94 124.74 2yso s ASN 40 Ca 1.01 0.20 -0.06 0.00 -0.71 0.00 0.00 52.86 53.30 2yso s ASN 40 Cb -1.25 -2.35 -0.02 0.00 0.41 0.00 0.00 41.25 38.04 2yso s ASN 40 CO 0.55 -0.65 1.10 0.28 -1.51 0.00 0.00 177.10 176.87 2yso h SER 41 N 8.48 -0.35 0.00 -1.22 0.02 -1.93 -3.47 113.55 115.08 2yso h SER 41 Ca -0.26 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.74 2yso h SER 41 Cb 1.10 0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.79 2yso h SER 41 CO 0.86 -0.07 0.00 0.61 -1.14 0.00 0.00 176.83 177.09 2yso n GLY 42 N -1.07 0.30 0.00 -3.77 0.00 -1.26 -5.00 105.19 94.39 2yso n GLY 42 Ca -0.01 -0.08 0.07 0.00 0.00 0.00 0.00 46.02 46.00 2yso n GLY 42 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2yso n PRO 43 N 0.00 0.49 -2.19 1.61 -0.04 -1.26 -4.65 135.00 128.96 2yso n PRO 43 Ca 0.00 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.04 2yso n PRO 43 Cb 0.00 -1.44 -0.03 0.00 -0.04 0.00 0.00 33.50 31.99 2yso n PRO 43 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2yso s SER 44 N -1.94 6.83 -1.53 3.54 1.04 -1.26 -3.32 113.70 117.06 2yso s SER 44 Ca 0.21 2.20 -0.00 0.00 0.48 0.00 0.00 55.95 58.84 2yso s SER 44 Cb 0.09 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.65 2yso s SER 44 CO 0.16 -0.70 0.09 -1.20 0.98 0.00 0.00 173.24 172.56 2yso n SER 45 N 4.92 0.69 0.00 7.02 7.64 -1.26 -5.25 113.62 127.37 2yso n SER 45 Ca 0.13 -1.23 0.00 0.00 1.01 0.00 0.00 58.87 58.78 2yso n SER 45 Cb 0.43 -1.86 0.00 0.00 -1.01 0.00 0.00 64.21 61.77 2yso n SER 45 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64