#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 -0.56 0.28 1.61 0.01 -1.26 -5.18 113.70 108.60 2yso s SER 2 Ca 0.00 0.57 0.04 0.00 1.31 0.00 0.00 55.95 57.87 2yso s SER 2 Cb 0.00 0.50 -0.03 0.00 0.21 0.00 0.00 66.02 66.69 2yso s SER 2 CO 0.00 -0.59 0.21 -0.44 0.41 0.00 0.00 173.24 172.83 2yso s SER 3 N -1.26 1.06 0.10 2.44 0.01 -1.26 -5.05 113.70 109.75 2yso s SER 3 Ca -0.11 -1.59 -0.14 0.00 1.31 0.00 0.00 55.95 55.41 2yso s SER 3 Cb -0.01 0.47 -0.10 0.00 0.21 0.00 0.00 66.02 66.59 2yso s SER 3 CO 0.08 -0.96 1.39 1.23 0.41 0.00 0.00 173.24 175.39 2yso h GLY 4 N 2.33 0.79 -3.93 3.44 0.00 -2.02 -3.30 103.07 100.38 2yso h GLY 4 Ca -0.30 -0.89 -0.57 0.00 0.00 0.00 0.00 47.33 45.57 2yso h GLY 4 CO 0.45 0.80 -0.70 1.44 0.00 0.00 0.00 176.54 178.52 2yso n SER 5 N -4.19 5.05 -3.33 0.19 7.64 -1.26 -5.06 113.62 112.67 2yso n SER 5 Ca -0.05 -3.75 -0.47 0.00 1.01 0.00 0.00 58.87 55.61 2yso n SER 5 Cb 0.54 -0.40 -0.08 0.00 -1.01 0.00 0.00 64.21 63.25 2yso n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2yso n SER 6 N -0.67 0.75 0.00 6.43 7.64 -1.25 -4.45 113.62 122.07 2yso n SER 6 Ca 0.44 0.71 0.00 0.00 1.01 0.00 0.00 58.87 61.03 2yso n SER 6 Cb 0.88 -0.65 0.00 0.00 -1.01 0.00 0.00 64.21 63.43 2yso n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2yso n GLY 7 N 4.01 -3.15 2.77 0.23 0.00 -1.26 -4.82 105.19 102.97 2yso n GLY 7 Ca 0.30 -1.99 -0.28 0.00 0.00 0.00 0.00 46.02 44.05 2yso n GLY 7 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2yso n SER 8 N -0.04 2.74 -4.55 1.61 7.64 -1.26 -5.07 113.62 114.68 2yso n SER 8 Ca 0.00 -3.16 -0.34 0.00 1.01 0.00 0.00 58.87 56.38 2yso n SER 8 Cb 0.00 -0.72 -0.11 0.00 -1.01 0.00 0.00 64.21 62.36 2yso n SER 8 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2yso s ARG 9 N -1.47 3.27 -0.05 1.43 3.00 -1.26 -5.03 118.95 118.84 2yso s ARG 9 Ca 0.28 -0.51 -0.19 0.00 0.00 0.00 0.00 55.73 55.30 2yso s ARG 9 Cb -0.00 -2.79 -0.14 0.00 0.00 0.00 0.00 34.95 32.02 2yso s ARG 9 CO -0.15 0.45 0.80 0.93 0.00 0.00 0.00 175.30 177.33 2yso h GLU 10 N 5.99 -0.25 -3.64 3.54 5.08 -2.02 -3.47 114.58 119.80 2yso h GLU 10 Ca -0.40 0.02 -0.38 0.00 -1.00 0.00 0.00 59.36 57.60 2yso h GLU 10 Cb 1.19 0.06 0.03 0.00 0.50 0.00 0.00 28.75 30.52 2yso h GLU 10 CO 0.58 0.12 -0.54 1.63 -1.00 0.00 0.00 179.01 179.80 2yso n LYS 11 N -4.95 -3.41 -2.20 2.33 5.02 -1.26 -4.99 118.16 108.69 2yso n LYS 11 Ca -0.07 0.89 -0.26 0.00 -2.02 0.00 0.00 58.31 56.85 2yso n LYS 11 Cb 0.25 -5.57 0.08 0.00 -0.02 0.00 0.00 35.03 29.77 2yso n LYS 11 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 2yso s SER 12 N -2.49 4.60 -0.48 4.39 0.01 -1.26 -5.02 113.70 113.45 2yso s SER 12 Ca 0.17 0.37 0.04 0.00 1.31 0.00 0.00 55.95 57.84 2yso s SER 12 Cb -0.08 -0.93 0.43 0.00 0.21 0.00 0.00 66.02 65.65 2yso s SER 12 CO 0.21 -1.74 1.43 1.41 0.41 0.00 0.00 173.24 174.96 2yso n HIS 13 N -3.00 3.08 -2.00 2.43 8.25 -1.26 -5.05 115.22 117.66 2yso n HIS 13 Ca 0.09 -2.66 -0.34 0.00 -0.26 0.00 0.00 57.72 54.55 2yso n HIS 13 Cb 0.60 -0.57 0.03 0.00 1.12 0.00 0.00 29.99 31.17 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 -3.69 3.05 -0.47 -0.41 0.74 -1.26 -3.98 119.66 113.64 2yso s GLN 14 Ca 0.53 1.54 -0.18 0.00 0.05 0.00 0.00 55.36 57.30 2yso s GLN 14 Cb 0.43 -1.97 0.05 0.00 1.10 0.00 0.00 33.01 32.62 2yso s GLN 14 CO -0.11 -1.07 0.51 0.00 -0.55 0.00 0.00 175.29 174.07 2yso n ARG 16 N 5.73 1.87 0.00 0.00 3.00 -1.26 -2.55 116.66 123.46 2yso n ARG 16 Ca -0.09 -1.35 0.00 0.00 -0.00 0.00 0.00 57.85 56.42 2yso n ARG 16 Cb 0.45 -1.75 0.00 0.00 0.00 0.00 0.00 32.46 31.16 2yso n ARG 16 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 2yso n GLU 17 N 1.27 0.62 0.00 -0.14 1.02 -1.26 -4.97 120.64 117.18 2yso n GLU 17 Ca 0.33 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.47 2yso n GLU 17 Cb 0.64 -0.64 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 2yso n GLU 17 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2yso n GLY 19 N 2.10 0.94 3.58 0.00 0.00 -1.06 -5.12 105.19 105.65 2yso n GLY 19 Ca 0.00 -0.58 -0.01 0.00 0.00 0.00 0.00 46.02 45.43 2yso n GLY 19 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2yso s GLU 20 N -0.11 0.50 0.19 1.61 2.02 -1.25 -4.98 118.70 116.67 2yso s GLU 20 Ca 0.00 1.18 -0.03 0.00 0.02 0.00 0.00 54.97 56.14 2yso s GLU 20 Cb 0.00 0.62 -0.05 0.00 0.10 0.00 0.00 34.13 34.80 2yso s GLU 20 CO 0.00 -0.16 0.40 0.42 0.02 0.00 0.00 175.26 175.94 2yso s ILE 21 N 2.53 5.17 -0.00 -1.63 1.01 -1.26 -1.62 121.20 125.39 2yso s ILE 21 Ca -0.06 -0.14 -0.02 0.00 0.00 0.00 0.00 60.65 60.43 2yso s ILE 21 Cb -0.09 -3.68 -0.00 0.00 0.01 0.00 0.00 42.46 38.69 2yso s ILE 21 CO -0.18 -0.10 0.04 -0.36 0.00 0.00 0.00 174.94 174.33 2yso s PHE 22 N -1.80 0.08 -0.13 3.97 0.08 -1.26 -5.01 117.98 113.92 2yso s PHE 22 Ca 0.40 -0.15 -0.22 0.00 0.12 0.00 0.00 56.93 57.08 2yso s PHE 22 Cb -0.11 -0.07 -0.20 0.00 -0.57 0.00 0.00 43.02 42.07 2yso s PHE 22 CO 0.27 -0.13 0.61 0.74 -0.10 0.00 0.00 175.22 176.62 2yso h PHE 23 N 5.24 -0.01 -3.33 0.36 0.04 -1.99 -3.39 116.94 113.87 2yso h PHE 23 Ca -0.28 -0.00 -0.56 0.00 2.80 0.00 0.00 57.97 59.93 2yso h PHE 23 Cb 1.21 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 39.32 2yso h PHE 23 CO 0.53 0.74 -0.03 -1.14 -0.60 0.00 0.00 178.31 177.82 2yso s GLN 24 N -2.16 4.13 0.31 1.51 2.00 -1.26 -4.96 119.66 119.23 2yso s GLN 24 Ca -0.15 0.67 0.04 0.00 -2.00 0.00 0.00 55.36 53.92 2yso s GLN 24 Cb -0.02 -3.06 0.50 0.00 0.80 0.00 0.00 33.01 31.24 2yso s GLN 24 CO 0.53 0.53 1.79 -0.92 -0.50 0.00 0.00 175.29 176.72 2yso h TYR 25 N 3.95 0.51 -0.43 1.67 3.20 -1.99 -2.59 116.97 121.29 2yso h TYR 25 Ca -0.49 -0.08 0.09 0.00 3.14 0.00 0.00 58.73 61.38 2yso h TYR 25 Cb 1.20 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 39.32 2yso h TYR 25 CO 0.66 0.61 0.30 0.28 -1.64 0.00 0.00 178.16 178.37 2yso h VAL 26 N 0.43 0.89 -0.08 1.81 2.07 -2.00 -0.12 116.25 119.24 2yso h VAL 26 Ca 0.07 -0.07 -0.12 0.00 0.82 0.00 0.00 66.70 67.40 2yso h VAL 26 Cb 0.54 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 2yso h VAL 26 CO 0.03 0.04 -0.48 0.28 0.02 0.00 0.00 177.57 177.46 2yso h SER 27 N 0.21 0.23 0.23 0.57 0.02 -1.87 -3.02 113.55 109.91 2yso h SER 27 Ca 0.20 -0.11 -0.01 0.00 -0.84 0.00 0.00 61.79 61.03 2yso h SER 27 Cb 0.52 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.00 2yso h SER 27 CO -0.03 0.68 -0.11 0.25 -1.14 0.00 0.00 176.83 176.47 2yso h LEU 28 N 0.17 -0.26 -1.96 5.07 5.85 -1.08 0.13 115.31 123.23 2yso h LEU 28 Ca 0.01 0.01 0.48 0.00 0.84 0.00 0.00 57.88 59.22 2yso h LEU 28 Cb 0.92 0.07 -0.07 0.00 0.37 0.00 0.00 40.66 41.94 2yso h LEU 28 CO 0.07 -0.05 1.19 -0.29 -0.34 0.00 0.00 178.44 179.02 2yso h ILE 29 N -0.58 0.16 0.13 4.05 2.10 -1.55 0.61 117.51 122.44 2yso h ILE 29 Ca -0.03 -0.00 -0.25 0.00 1.08 0.00 0.00 64.86 65.66 2yso h ILE 29 Cb 0.24 0.15 0.01 0.00 -1.09 0.00 0.00 36.82 36.12 2yso h ILE 29 CO 0.05 0.00 -1.20 -0.08 -1.08 0.00 0.00 178.15 175.85 2yso h GLU 30 N 0.01 0.28 0.00 2.19 4.81 -1.53 -3.32 114.58 117.02 2yso h GLU 30 Ca 0.80 -0.48 -0.00 0.00 -0.13 0.00 0.00 59.36 59.54 2yso h GLU 30 Cb 3.17 0.18 -0.00 0.00 0.63 0.00 0.00 28.75 32.73 2yso h GLU 30 CO -0.03 1.23 -0.02 1.25 -0.73 0.00 0.00 179.01 180.71 2yso h HIS 31 N -0.30 0.00 -0.52 0.92 2.76 0.22 -1.75 115.15 116.48 2yso h HIS 31 Ca -0.24 0.00 -0.09 0.00 -2.20 0.00 0.00 60.37 57.84 2yso h HIS 31 Cb 1.74 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 30.68 2yso h HIS 31 CO 0.15 0.02 -0.04 1.96 -1.30 0.00 0.00 177.93 178.72 2yso h GLN 32 N 0.00 0.91 -0.13 5.26 4.20 -1.02 -3.10 115.11 121.23 2yso h GLN 32 Ca -0.00 -0.28 -0.01 0.00 0.06 0.00 0.00 58.65 58.42 2yso h GLN 32 Cb 0.03 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.72 2yso h GLN 32 CO 0.00 0.93 0.06 0.28 -0.67 0.00 0.00 178.83 179.43 2yso h VAL 33 N 0.83 1.13 -0.91 -0.54 2.07 -1.41 -3.06 116.25 114.36 2yso h VAL 33 Ca 0.15 -0.37 0.17 0.00 0.82 0.00 0.00 66.70 67.46 2yso h VAL 33 Cb 0.55 1.14 -0.16 0.00 -1.52 0.00 0.00 31.29 31.29 2yso h VAL 33 CO 0.03 0.12 -0.29 -0.07 0.02 0.00 0.00 177.57 177.38 2yso h LEU 34 N 0.08 -1.07 -0.98 2.57 3.38 -1.45 0.48 115.31 118.32 2yso h LEU 34 Ca 0.04 0.28 0.32 0.00 0.09 0.00 0.00 57.88 58.62 2yso h LEU 34 Cb 0.13 0.63 -0.18 0.00 0.09 0.00 0.00 40.66 41.34 2yso h LEU 34 CO -0.01 -0.30 0.27 0.45 0.09 0.00 0.00 178.44 178.95 2yso h HIS 35 N -0.02 0.38 -2.76 1.13 3.86 -1.58 -2.28 115.15 113.88 2yso h HIS 35 Ca 0.39 0.06 -0.65 0.00 -1.16 0.00 0.00 60.37 59.01 2yso h HIS 35 Cb 0.64 -0.00 -0.39 0.00 1.06 0.00 0.00 27.41 28.71 2yso h HIS 35 CO -0.76 -0.41 -0.36 0.00 0.86 0.00 0.00 177.93 177.26 2yso n MET 36 N -5.35 2.52 -2.69 2.45 0.00 0.17 -4.89 117.12 109.33 2yso n MET 36 Ca 0.29 -4.57 -0.03 0.00 0.00 0.00 0.00 57.70 53.38 2yso n MET 36 Cb 0.96 -2.32 0.03 0.00 0.00 0.00 0.00 33.22 31.89 2yso n MET 36 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 2yso s GLY 37 N -1.65 -1.80 -0.07 3.17 0.00 -0.86 -4.93 107.32 101.18 2yso s GLY 37 Ca 0.32 0.40 -0.02 0.00 0.00 0.00 0.00 44.72 45.42 2yso s GLY 37 CO -0.07 4.19 0.06 1.62 0.00 0.00 0.00 173.10 178.89 2yso s GLN 38 N 0.96 0.05 0.14 2.90 0.74 -1.26 -4.92 119.66 118.26 2yso s GLN 38 Ca 0.25 0.26 -0.33 0.00 0.05 0.00 0.00 55.36 55.59 2yso s GLN 38 Cb 0.10 -0.80 -0.13 0.00 1.10 0.00 0.00 33.01 33.29 2yso s GLN 38 CO -0.10 -0.38 1.68 1.17 -0.55 0.00 0.00 175.29 177.11 2yso n LYS 39 N 5.27 2.39 -3.72 1.67 4.81 -1.26 -4.96 118.16 122.37 2yso n LYS 39 Ca -0.04 0.87 -0.30 0.00 -0.87 0.00 0.00 58.31 57.97 2yso n LYS 39 Cb 0.50 -2.68 -0.13 0.00 0.02 0.00 0.00 35.03 32.74 2yso n LYS 39 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 2yso s ASN 40 N 1.59 3.68 0.26 3.14 2.20 -1.26 -5.09 114.94 119.46 2yso s ASN 40 Ca 0.80 -2.56 -0.13 0.00 -0.94 0.00 0.00 52.86 50.03 2yso s ASN 40 Cb -0.61 -1.03 0.00 0.00 -2.00 0.00 0.00 41.25 37.61 2yso s ASN 40 CO 0.38 -0.28 0.51 -0.94 -2.94 0.00 0.00 177.10 173.84 2yso s SER 41 N 0.43 -0.02 0.27 3.54 1.04 -1.26 -5.14 113.70 112.56 2yso s SER 41 Ca 0.17 -0.96 0.00 0.00 0.48 0.00 0.00 55.95 55.64 2yso s SER 41 Cb -0.24 0.62 0.00 0.00 0.10 0.00 0.00 66.02 66.50 2yso s SER 41 CO -0.01 -1.20 0.00 0.61 0.98 0.00 0.00 173.24 173.63 2yso n GLY 42 N -0.41 -1.52 3.65 7.32 0.00 -1.26 -4.85 105.19 108.12 2yso n GLY 42 Ca -0.02 -0.87 -0.29 0.00 0.00 0.00 0.00 46.02 44.84 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 -2.11 -0.17 -0.93 1.61 0.04 -1.26 -4.96 135.00 127.22 2yso s PRO 43 Ca 0.00 0.31 -0.17 0.00 0.04 0.00 0.00 61.00 61.18 2yso s PRO 43 Cb 0.00 -1.69 0.16 0.00 0.04 0.00 0.00 34.50 33.01 2yso s PRO 43 CO 0.00 -3.09 1.07 -1.12 0.04 0.00 0.00 177.00 173.90 2yso s SER 44 N -3.59 6.72 0.52 6.66 0.01 -1.26 -5.02 113.70 117.74 2yso s SER 44 Ca 0.67 -2.33 -0.19 0.00 1.31 0.00 0.00 55.95 55.41 2yso s SER 44 Cb -0.16 -2.35 -0.10 0.00 0.21 0.00 0.00 66.02 63.62 2yso s SER 44 CO 0.57 -0.90 0.55 -0.24 0.41 0.00 0.00 173.24 173.63 2yso n SER 45 N 5.74 -0.91 0.00 2.44 2.88 -1.26 -5.30 113.62 117.21 2yso n SER 45 Ca 0.23 0.79 0.00 0.00 -1.33 0.00 0.00 58.87 58.56 2yso n SER 45 Cb 0.48 -1.16 0.00 0.00 -0.75 0.00 0.00 64.21 62.77 2yso n SER 45 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42