#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jrj s ASN 11 N 0.00 5.82 0.05 4.31 0.01 -1.26 -4.63 114.94 119.24 2jrj s ASN 11 Ca 0.00 -1.57 0.23 0.00 -0.71 0.00 0.00 52.86 50.81 2jrj s ASN 11 Cb 0.00 -2.58 0.01 0.00 0.41 0.00 0.00 41.25 39.10 2jrj s ASN 11 CO 0.00 -2.19 0.99 1.33 -1.51 0.00 0.00 177.10 175.72 2jrj n VAL 12 N 7.28 0.18 0.34 1.60 0.24 -1.26 -4.00 118.33 122.72 2jrj n VAL 12 Ca 0.42 -0.27 0.14 0.00 -2.04 0.00 0.00 64.34 62.59 2jrj n VAL 12 Cb 0.47 0.18 0.59 0.00 -1.47 0.00 0.00 33.84 33.61 2jrj n VAL 12 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 2jrj h SER 13 N 0.00 0.00 -3.57 -1.34 0.02 -2.06 -3.40 113.55 103.21 2jrj h SER 13 Ca 0.00 0.00 -0.66 0.00 -0.84 0.00 0.00 61.79 60.29 2jrj h SER 13 Cb 0.76 0.00 -0.25 0.00 0.14 0.00 0.00 62.40 63.05 2jrj h SER 13 CO 0.00 0.00 -0.65 0.00 -1.14 0.00 0.00 176.83 175.04 2jrj s GLN 14 N -3.48 3.41 0.72 3.45 -2.07 -1.26 -5.09 119.66 115.34 2jrj s GLN 14 Ca 0.03 -0.63 -0.11 0.00 -1.82 0.00 0.00 55.36 52.83 2jrj s GLN 14 Cb 0.09 -3.26 0.02 0.00 -1.09 0.00 0.00 33.01 28.77 2jrj s GLN 14 CO 0.44 -0.27 1.07 -0.65 -1.32 0.00 0.00 175.29 174.56 2jrj s GLN 15 N 1.55 2.78 0.09 9.60 -1.52 -1.26 -5.02 119.66 125.88 2jrj s GLN 15 Ca 0.05 0.71 -0.01 0.00 -1.95 0.00 0.00 55.36 54.17 2jrj s GLN 15 Cb -0.15 -1.99 -0.04 0.00 -0.22 0.00 0.00 33.01 30.60 2jrj s GLN 15 CO 0.01 -1.15 0.01 0.54 -0.25 0.00 0.00 175.29 174.46 2jrj s ASN 16 N -4.02 0.46 -0.46 5.90 2.20 -1.26 -3.56 114.94 114.20 2jrj s ASN 16 Ca 0.58 -1.11 -0.20 0.00 -0.94 0.00 0.00 52.86 51.20 2jrj s ASN 16 Cb -0.13 0.24 0.03 0.00 -2.00 0.00 0.00 41.25 39.39 2jrj s ASN 16 CO 0.54 -0.65 0.61 0.00 -2.94 0.00 0.00 177.10 174.66 2jrj h PRO 18 N 8.91 0.00 0.00 0.00 0.13 -1.96 0.35 132.00 139.43 2jrj h PRO 18 Ca -0.26 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.86 2jrj h PRO 18 Cb 1.10 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.23 2jrj h PRO 18 CO 0.91 0.00 -0.05 0.82 -0.23 0.00 0.00 178.00 179.44 2jrj h ILE 19 N 0.00 0.37 0.00 -3.56 1.08 -1.95 -3.33 117.51 110.12 2jrj h ILE 19 Ca 0.00 -0.29 0.00 0.00 -0.39 0.00 0.00 64.86 64.18 2jrj h ILE 19 Cb 0.55 1.20 0.00 0.00 -3.07 0.00 0.00 36.82 35.50 2jrj h ILE 19 CO 0.00 0.05 0.00 0.00 -0.69 0.00 0.00 178.15 177.51 2jrj n LEU 21 N 0.00 -2.64 0.00 0.00 4.77 0.12 -5.00 117.00 114.24 2jrj n LEU 21 Ca 0.00 -0.30 -0.13 0.00 -0.03 0.00 0.00 56.01 55.55 2jrj n LEU 21 Cb 0.46 -2.95 0.02 0.00 -2.33 0.00 0.00 43.42 38.63 2jrj n LEU 21 CO 0.00 0.23 0.15 -0.62 -1.33 0.00 0.00 177.39 175.82 2jrj n GLU 22 N -4.04 0.85 -1.93 3.23 1.02 -0.94 -4.90 120.64 113.95 2jrj n GLU 22 Ca -0.11 -1.97 -0.30 0.00 -0.02 0.00 0.00 57.16 54.75 2jrj n GLU 22 Cb 0.62 0.00 0.03 0.00 -0.02 0.00 0.00 31.44 32.07 2jrj n GLU 22 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2jrj s ASP 23 N -3.10 5.79 0.01 1.62 2.15 -1.26 0.12 116.67 122.00 2jrj s ASP 23 Ca 0.30 1.22 -0.28 0.00 0.43 0.00 0.00 52.55 54.21 2jrj s ASP 23 Cb -0.02 -2.14 0.07 0.00 -0.30 0.00 0.00 42.92 40.53 2jrj s ASP 23 CO 0.19 -1.12 0.68 -0.63 -0.17 0.00 0.00 175.17 174.12 2jrj s ILE 24 N -3.25 0.00 0.14 4.11 1.01 -1.23 -4.07 121.20 117.91 2jrj s ILE 24 Ca 0.56 0.00 -0.08 0.00 0.00 0.00 0.00 60.65 61.14 2jrj s ILE 24 Cb -0.11 -1.00 -0.01 0.00 0.01 0.00 0.00 42.46 41.35 2jrj s ILE 24 CO 0.52 0.00 0.23 -1.38 0.00 0.00 0.00 174.94 174.31 2jrj s HIS 25 N -2.05 0.41 0.41 3.97 -3.43 -1.26 -4.22 115.29 109.11 2jrj s HIS 25 Ca -0.06 -0.79 0.29 0.00 -0.80 0.00 0.00 55.06 53.70 2jrj s HIS 25 Cb -0.00 -0.11 1.50 0.00 -1.43 0.00 0.00 32.58 32.54 2jrj s HIS 25 CO 0.02 -0.66 2.08 1.79 -2.00 0.00 0.00 174.74 175.97 2jrj h THR 26 N 2.63 0.49 -2.01 -5.38 1.35 -2.01 -3.43 112.91 104.55 2jrj h THR 26 Ca -0.33 -0.49 -0.58 0.00 -0.55 0.00 0.00 66.41 64.46 2jrj h THR 26 Cb 1.22 1.33 0.00 0.00 -1.73 0.00 0.00 68.15 68.97 2jrj h THR 26 CO 0.51 0.10 1.41 -0.24 -0.25 0.00 0.00 175.52 177.06 2jrj n SER 27 N -3.57 3.41 -1.70 5.36 2.88 -1.26 -4.83 113.62 113.91 2jrj n SER 27 Ca -0.02 0.41 0.09 0.00 -1.33 0.00 0.00 58.87 58.02 2jrj n SER 27 Cb 0.23 -1.52 0.38 0.00 -0.75 0.00 0.00 64.21 62.54 2jrj n SER 27 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 2jrj n ARG 28 N 8.36 4.15 0.07 -1.46 0.00 -1.26 -3.45 116.66 123.07 2jrj n ARG 28 Ca 0.28 -3.00 -0.13 0.00 -0.00 0.00 0.00 57.85 55.00 2jrj n ARG 28 Cb 0.42 -2.03 -0.05 0.00 -0.00 0.00 0.00 32.46 30.80 2jrj n ARG 28 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.63 177.39 2jrj h VAL 29 N 4.07 1.41 0.01 8.89 3.04 -1.97 -3.37 116.25 128.33 2jrj h VAL 29 Ca 0.00 -2.49 -0.40 0.00 -1.01 0.00 0.00 66.70 62.80 2jrj h VAL 29 Cb 1.65 2.46 -0.06 0.00 -2.01 0.00 0.00 31.29 33.32 2jrj h VAL 29 CO 0.32 0.74 -2.24 0.52 -1.01 0.00 0.00 177.57 175.90 2jrj n VAL 30 N -3.73 1.55 -2.58 1.51 0.31 -1.26 -4.90 118.33 109.23 2jrj n VAL 30 Ca -0.07 -0.38 -0.43 0.00 -0.01 0.00 0.00 64.34 63.45 2jrj n VAL 30 Cb 0.85 -1.80 -0.02 0.00 -0.91 0.00 0.00 33.84 31.96 2jrj n VAL 30 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2jrj s ALA 31 N -2.49 3.54 0.26 3.52 0.00 -1.22 -4.17 121.76 121.19 2jrj s ALA 31 Ca -0.35 0.40 -0.30 0.00 0.00 0.00 0.00 51.96 51.72 2jrj s ALA 31 Cb 0.11 -3.51 -0.09 0.00 0.00 0.00 0.00 23.12 19.63 2jrj s ALA 31 CO 0.56 -0.84 1.13 -1.58 0.00 0.00 0.00 175.76 175.03 2jrj s HIS 32 N 2.58 3.52 -0.25 0.00 2.46 0.13 -4.40 115.29 119.32 2jrj s HIS 32 Ca 0.50 1.62 -0.21 0.00 0.47 0.00 0.00 55.06 57.45 2jrj s HIS 32 Cb -0.20 -3.34 -0.02 0.00 -0.13 0.00 0.00 32.58 28.90 2jrj s HIS 32 CO 0.16 -0.76 0.65 0.08 -2.47 0.00 0.00 174.74 172.40 2jrj s VAL 33 N -0.87 4.97 0.60 0.89 1.01 -1.26 -2.00 120.40 123.73 2jrj s VAL 33 Ca 0.47 1.17 -0.17 0.00 0.00 0.00 0.00 61.98 63.44 2jrj s VAL 33 Cb -0.32 -3.96 -0.03 0.00 0.00 0.00 0.00 36.38 32.07 2jrj s VAL 33 CO 0.40 0.01 1.13 -0.76 0.00 0.00 0.00 175.10 175.89 2jrj s LEU 34 N 2.55 3.58 0.00 3.92 1.43 0.13 -4.92 118.68 125.37 2jrj s LEU 34 Ca 0.27 2.14 0.10 0.00 -1.03 0.00 0.00 54.13 55.61 2jrj s LEU 34 Cb -0.15 -4.57 0.44 0.00 0.03 0.00 0.00 46.19 41.93 2jrj s LEU 34 CO 0.08 -1.47 1.28 -0.81 0.23 0.00 0.00 176.35 175.66 2jrj n PRO 35 N -1.83 0.04 -0.38 1.29 -0.04 -1.26 -0.46 135.00 132.36 2jrj n PRO 35 Ca 0.11 0.30 0.12 0.00 -0.04 0.00 0.00 63.50 63.99 2jrj n PRO 35 Cb 0.51 -1.50 0.33 0.00 -0.04 0.00 0.00 33.50 32.80 2jrj n PRO 35 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jrj n GLY 37 N 1.68 0.78 3.93 0.00 0.00 0.40 -5.06 105.19 106.91 2jrj n GLY 37 Ca 0.25 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.01 2jrj n GLY 37 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2jrj s HIS 38 N -2.10 3.49 -0.00 1.61 3.76 -1.24 -4.85 115.29 115.95 2jrj s HIS 38 Ca 0.00 0.41 0.04 0.00 -0.15 0.00 0.00 55.06 55.36 2jrj s HIS 38 Cb 0.00 -1.92 -0.03 0.00 1.11 0.00 0.00 32.58 31.74 2jrj s HIS 38 CO 0.00 0.23 -0.12 -0.51 -0.85 0.00 0.00 174.74 173.49 2jrj s LEU 39 N -3.79 2.89 -0.20 0.89 1.43 -1.26 0.20 118.68 118.84 2jrj s LEU 39 Ca 0.40 -0.23 -0.24 0.00 -1.03 0.00 0.00 54.13 53.03 2jrj s LEU 39 Cb -0.10 -1.65 0.06 0.00 0.03 0.00 0.00 46.19 44.53 2jrj s LEU 39 CO 0.32 0.30 0.65 -1.48 0.23 0.00 0.00 176.35 176.37 2jrj s LEU 40 N -1.20 -0.49 0.77 1.79 0.05 -0.85 -4.97 118.68 113.78 2jrj s LEU 40 Ca 0.15 1.16 -0.15 0.00 0.05 0.00 0.00 54.13 55.34 2jrj s LEU 40 Cb -0.11 2.28 0.02 0.00 -2.05 0.00 0.00 46.19 46.33 2jrj s LEU 40 CO 0.05 -0.31 0.88 0.00 -0.55 0.00 0.00 176.35 176.41 2jrj n HIS 41 N 2.32 0.30 -0.13 3.48 -0.00 -1.26 0.17 115.22 120.10 2jrj n HIS 41 Ca -0.15 0.37 -0.08 0.00 -0.00 0.00 0.00 57.72 57.86 2jrj n HIS 41 Cb 0.56 -2.02 -0.02 0.00 -0.00 0.00 0.00 29.99 28.50 2jrj n HIS 41 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2jrj h ARG 42 N -0.57 -0.25 -0.92 -1.40 2.47 -1.95 0.12 114.38 111.89 2jrj h ARG 42 Ca -0.46 0.02 0.08 0.00 -1.26 0.00 0.00 59.98 58.36 2jrj h ARG 42 Cb 1.32 0.06 -0.07 0.00 -1.65 0.00 0.00 29.97 29.63 2jrj h ARG 42 CO 0.44 -0.17 0.57 1.15 0.56 0.00 0.00 179.97 182.53 2jrj h THR 43 N -0.26 1.00 0.00 2.04 2.02 -1.96 -0.94 112.91 114.81 2jrj h THR 43 Ca 0.17 -0.34 -0.06 0.00 0.77 0.00 0.00 66.41 66.95 2jrj h THR 43 Cb 0.55 -0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 66.87 2jrj h THR 43 CO -0.56 0.18 -0.29 0.00 0.37 0.00 0.00 175.52 175.23 2jrj h TYR 45 N 0.00 0.91 -0.05 0.00 3.20 0.31 0.12 116.97 121.46 2jrj h TYR 45 Ca -0.00 -0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.82 2jrj h TYR 45 Cb 0.75 -0.28 -0.00 0.00 1.54 0.00 0.00 36.73 38.73 2jrj h TYR 45 CO 0.00 0.68 0.01 0.93 -1.64 0.00 0.00 178.16 178.13 2jrj h GLU 46 N 0.88 0.09 -0.40 1.82 5.08 -1.04 -0.99 114.58 120.01 2jrj h GLU 46 Ca 0.22 -0.02 0.07 0.00 -1.00 0.00 0.00 59.36 58.62 2jrj h GLU 46 Cb 0.10 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.28 2jrj h GLU 46 CO -0.03 0.34 0.06 0.93 -1.00 0.00 0.00 179.01 179.31 2jrj h GLU 47 N -0.18 0.18 0.11 2.33 5.08 -0.86 0.15 114.58 121.39 2jrj h GLU 47 Ca 0.02 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 2jrj h GLU 47 Cb 0.29 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.51 2jrj h GLU 47 CO 0.00 0.12 -0.05 1.98 -1.00 0.00 0.00 179.01 180.05 2jrj h MET 48 N 0.18 -0.15 0.00 2.33 4.05 -0.77 -3.14 114.93 117.44 2jrj h MET 48 Ca 0.20 0.01 -0.02 0.00 -0.28 0.00 0.00 59.70 59.61 2jrj h MET 48 Cb 0.25 0.03 -0.00 0.00 -0.80 0.00 0.00 31.60 31.08 2jrj h MET 48 CO -0.27 0.24 -0.08 1.25 0.23 0.00 0.00 176.91 178.28 2jrj h LEU 49 N -0.57 0.00 -0.31 3.39 5.85 -0.96 0.03 115.31 122.74 2jrj h LEU 49 Ca -0.02 0.00 0.06 0.00 0.84 0.00 0.00 57.88 58.77 2jrj h LEU 49 Cb 0.45 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.42 2jrj h LEU 49 CO 0.03 0.08 -0.08 0.11 -0.34 0.00 0.00 178.44 178.23 2jrj h LYS 50 N 0.00 -0.01 0.01 1.25 1.57 -0.66 -3.09 116.57 115.64 2jrj h LYS 50 Ca -0.00 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.63 2jrj h LYS 50 Cb 0.15 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.48 2jrj h LYS 50 CO 0.01 -0.00 -0.59 0.93 -0.57 0.00 0.00 179.45 179.22 2jrj h GLU 51 N -0.01 0.39 -0.80 3.15 4.39 -1.17 -3.47 114.58 117.06 2jrj h GLU 51 Ca 0.15 -0.43 -0.22 0.00 0.34 0.00 0.00 59.36 59.20 2jrj h GLU 51 Cb 0.24 0.12 -0.07 0.00 -0.10 0.00 0.00 28.75 28.94 2jrj h GLU 51 CO -0.32 1.10 -0.22 0.41 -1.16 0.00 0.00 179.01 178.82 2jrj n GLY 52 N 1.11 0.85 3.80 -3.84 0.00 -0.15 -5.01 105.19 101.96 2jrj n GLY 52 Ca -0.11 -0.51 -0.29 0.00 0.00 0.00 0.00 46.02 45.12 2jrj n GLY 52 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2jrj s TYR 53 N -2.44 2.43 0.11 1.61 1.13 -1.26 -4.95 117.35 113.98 2jrj s TYR 53 Ca 0.00 0.79 -0.31 0.00 -1.41 0.00 0.00 57.07 56.14 2jrj s TYR 53 Cb 0.00 -3.45 -0.10 0.00 -1.10 0.00 0.00 41.96 37.31 2jrj s TYR 53 CO 0.00 -2.38 1.83 1.03 -2.51 0.00 0.00 175.55 173.53 2jrj s ARG 54 N -5.36 4.14 -0.28 -3.49 3.00 -1.26 -4.88 118.95 110.81 2jrj s ARG 54 Ca 0.64 2.58 -0.28 0.00 0.00 0.00 0.00 55.73 58.67 2jrj s ARG 54 Cb -0.13 -3.65 -0.03 0.00 0.00 0.00 0.00 34.95 31.13 2jrj s ARG 54 CO 0.53 -0.85 1.94 0.00 0.00 0.00 0.00 175.30 176.92 2jrj h PRO 56 N 13.57 0.00 0.00 0.00 0.13 -2.00 -2.58 132.00 141.12 2jrj h PRO 56 Ca -0.36 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 2jrj h PRO 56 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2jrj h PRO 56 CO 1.00 0.24 0.00 -0.07 -0.23 0.00 0.00 178.00 178.94 2jrj h LEU 57 N 0.00 0.00 -0.59 1.56 4.07 -1.91 -1.43 115.31 117.00 2jrj h LEU 57 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 2jrj h LEU 57 Cb 0.56 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.30 2jrj h LEU 57 CO 0.03 0.00 0.00 0.00 -1.08 0.00 0.00 178.44 177.39 2jrj h MET 59 N 0.00 0.00 -4.78 0.00 -0.00 -1.50 -3.46 114.93 105.19 2jrj h MET 59 Ca 0.00 0.00 -0.58 0.00 -0.00 0.00 0.00 59.70 59.12 2jrj h MET 59 Cb 0.09 0.00 -0.34 0.00 -0.00 0.00 0.00 31.60 31.35 2jrj h MET 59 CO 0.00 0.00 -0.84 -1.58 -0.00 0.00 0.00 176.91 174.49 2jrj s HIS 60 N -3.23 1.90 0.00 -0.10 5.04 -0.59 -5.22 115.29 113.08 2jrj s HIS 60 Ca 0.04 -0.82 0.00 0.00 -1.54 0.00 0.00 55.06 52.74 2jrj s HIS 60 Cb 0.12 -1.36 0.00 0.00 0.04 0.00 0.00 32.58 31.39 2jrj s HIS 60 CO 0.76 -0.40 0.00 -1.13 -2.34 0.00 0.00 174.74 171.62