#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jrj n ASN 11 N 0.00 1.68 -3.80 4.31 3.02 -1.26 -4.84 115.26 114.38 2jrj n ASN 11 Ca 0.00 -1.63 -0.30 0.00 -0.03 0.00 0.00 54.58 52.62 2jrj n ASN 11 Cb 0.00 -1.66 -0.15 0.00 -0.61 0.00 0.00 39.78 37.36 2jrj n ASN 11 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2jrj s VAL 12 N 15.07 1.15 -0.55 2.41 1.01 -1.26 -5.08 120.40 133.16 2jrj s VAL 12 Ca 0.92 -1.50 -0.26 0.00 0.00 0.00 0.00 61.98 61.13 2jrj s VAL 12 Cb -0.13 -1.82 -0.05 0.00 0.00 0.00 0.00 36.38 34.39 2jrj s VAL 12 CO 0.10 -0.59 2.14 -0.44 0.00 0.00 0.00 175.10 176.31 2jrj s SER 13 N 1.49 4.86 -0.25 3.32 0.01 -1.26 -4.89 113.70 116.98 2jrj s SER 13 Ca 0.08 0.73 -0.17 0.00 1.31 0.00 0.00 55.95 57.90 2jrj s SER 13 Cb -0.18 -2.51 0.07 0.00 0.21 0.00 0.00 66.02 63.61 2jrj s SER 13 CO -0.20 -2.62 0.63 -1.58 0.41 0.00 0.00 173.24 169.88 2jrj s GLN 14 N 7.63 0.67 -0.68 12.44 2.00 -1.26 -5.11 119.66 135.35 2jrj s GLN 14 Ca 0.83 1.03 -0.19 0.00 -2.00 0.00 0.00 55.36 55.02 2jrj s GLN 14 Cb -0.15 0.20 0.11 0.00 0.80 0.00 0.00 33.01 33.97 2jrj s GLN 14 CO 0.24 -0.13 0.84 -0.65 -0.50 0.00 0.00 175.29 175.09 2jrj s GLN 15 N 1.10 3.19 -0.08 1.67 -1.52 -1.26 -5.03 119.66 117.74 2jrj s GLN 15 Ca -0.06 -1.36 -0.11 0.00 -1.95 0.00 0.00 55.36 51.88 2jrj s GLN 15 Cb -0.05 -4.38 -0.05 0.00 -0.22 0.00 0.00 33.01 28.31 2jrj s GLN 15 CO -0.11 -1.63 0.27 0.54 -0.25 0.00 0.00 175.29 174.12 2jrj s ASN 16 N 3.54 6.57 -0.43 5.90 4.22 -1.26 -1.84 114.94 131.63 2jrj s ASN 16 Ca 0.18 0.68 -0.29 0.00 -2.14 0.00 0.00 52.86 51.29 2jrj s ASN 16 Cb -0.18 -2.16 0.02 0.00 1.28 0.00 0.00 41.25 40.21 2jrj s ASN 16 CO 0.03 0.32 1.22 0.00 -2.04 0.00 0.00 177.10 176.64 2jrj n PRO 18 N 7.78 0.14 0.25 0.00 -0.04 -1.26 0.49 135.00 142.36 2jrj n PRO 18 Ca 0.13 0.30 0.16 0.00 -0.04 0.00 0.00 63.50 64.05 2jrj n PRO 18 Cb 0.48 -1.72 0.61 0.00 -0.04 0.00 0.00 33.50 32.83 2jrj n PRO 18 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 2jrj h ILE 19 N 0.00 0.00 0.00 0.52 1.08 -1.97 -3.37 117.51 113.77 2jrj h ILE 19 Ca 0.00 -0.52 -0.00 0.00 -0.39 0.00 0.00 64.86 63.94 2jrj h ILE 19 Cb 0.42 1.49 -0.00 0.00 -3.07 0.00 0.00 36.82 35.65 2jrj h ILE 19 CO 0.00 0.00 -0.01 0.00 -0.69 0.00 0.00 178.15 177.45 2jrj n LEU 21 N 0.00 -4.10 0.00 0.00 4.32 0.18 -5.01 117.00 112.40 2jrj n LEU 21 Ca -0.01 -0.41 -0.11 0.00 -0.02 0.00 0.00 56.01 55.46 2jrj n LEU 21 Cb 0.30 -2.31 -0.03 0.00 -1.62 0.00 0.00 43.42 39.76 2jrj n LEU 21 CO -0.00 -0.43 0.07 -0.62 -1.22 0.00 0.00 177.39 175.19 2jrj n GLU 22 N -1.73 0.44 -2.66 3.23 -0.58 -1.03 -4.91 120.64 113.40 2jrj n GLU 22 Ca -0.14 -2.01 -0.40 0.00 -0.42 0.00 0.00 57.16 54.19 2jrj n GLU 22 Cb 0.61 1.86 -0.05 0.00 -0.57 0.00 0.00 31.44 33.29 2jrj n GLU 22 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 2jrj s ASP 23 N -2.52 7.51 -0.07 1.62 2.15 -1.26 -0.08 116.67 124.01 2jrj s ASP 23 Ca 0.22 2.04 -0.07 0.00 0.43 0.00 0.00 52.55 55.16 2jrj s ASP 23 Cb -0.00 -2.61 0.02 0.00 -0.30 0.00 0.00 42.92 40.02 2jrj s ASP 23 CO 0.15 0.03 0.19 -0.63 -0.17 0.00 0.00 175.17 174.75 2jrj s ILE 24 N -1.02 0.00 0.27 4.11 1.01 -0.77 -4.66 121.20 120.15 2jrj s ILE 24 Ca 0.43 -0.02 -0.04 0.00 0.00 0.00 0.00 60.65 61.02 2jrj s ILE 24 Cb -0.28 -0.28 -0.02 0.00 0.01 0.00 0.00 42.46 41.89 2jrj s ILE 24 CO 0.35 -0.01 0.34 -1.00 0.00 0.00 0.00 174.94 174.61 2jrj s HIS 25 N 0.06 0.99 0.60 3.97 3.76 -1.26 -4.14 115.29 119.26 2jrj s HIS 25 Ca -0.00 -1.21 0.32 0.00 -0.15 0.00 0.00 55.06 54.01 2jrj s HIS 25 Cb -0.02 -0.24 1.90 0.00 1.11 0.00 0.00 32.58 35.33 2jrj s HIS 25 CO 0.00 -0.90 2.27 1.15 -0.85 0.00 0.00 174.74 176.41 2jrj h THR 26 N 2.32 0.46 -1.11 1.30 2.02 -1.98 -3.42 112.91 112.50 2jrj h THR 26 Ca -0.30 0.00 -0.42 0.00 0.77 0.00 0.00 66.41 66.46 2jrj h THR 26 Cb 1.24 1.00 -0.01 0.00 -1.74 0.00 0.00 68.15 68.64 2jrj h THR 26 CO 0.42 0.00 1.51 -0.24 0.37 0.00 0.00 175.52 177.58 2jrj n SER 27 N -3.76 1.75 0.25 4.18 2.88 -1.26 -4.78 113.62 112.88 2jrj n SER 27 Ca -0.03 -0.48 0.11 0.00 -1.33 0.00 0.00 58.87 57.14 2jrj n SER 27 Cb 0.08 -1.43 0.63 0.00 -0.75 0.00 0.00 64.21 62.74 2jrj n SER 27 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 2jrj h ARG 28 N 17.20 0.00 -0.28 -1.46 1.12 -1.81 -0.14 114.38 129.02 2jrj h ARG 28 Ca -0.17 0.00 0.05 0.00 -1.11 0.00 0.00 59.98 58.75 2jrj h ARG 28 Cb 1.25 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 31.19 2jrj h ARG 28 CO 1.20 0.17 0.19 -0.24 -3.11 0.00 0.00 179.97 178.18 2jrj h VAL 29 N 0.00 0.94 0.00 0.20 3.04 -1.96 -3.02 116.25 115.46 2jrj h VAL 29 Ca -0.00 -0.05 -0.39 0.00 -1.01 0.00 0.00 66.70 65.24 2jrj h VAL 29 Cb 0.45 0.77 -0.06 0.00 -2.01 0.00 0.00 31.29 30.45 2jrj h VAL 29 CO 0.02 0.03 -2.14 0.52 -1.01 0.00 0.00 177.57 175.00 2jrj n VAL 30 N -4.48 1.53 -3.15 1.51 0.31 -0.84 -4.85 118.33 108.36 2jrj n VAL 30 Ca 0.03 -0.29 -0.44 0.00 -0.01 0.00 0.00 64.34 63.63 2jrj n VAL 30 Cb 0.24 -1.91 -0.06 0.00 -0.91 0.00 0.00 33.84 31.20 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 -2.46 3.40 0.32 3.52 0.00 -0.12 -1.75 121.76 124.66 2jrj s ALA 31 Ca -0.35 -1.90 -0.29 0.00 0.00 0.00 0.00 51.96 49.41 2jrj s ALA 31 Cb 0.12 -3.40 -0.10 0.00 0.00 0.00 0.00 23.12 19.74 2jrj s ALA 31 CO 0.53 -2.10 1.33 -1.58 0.00 0.00 0.00 175.76 173.93 2jrj s HIS 32 N 2.61 3.03 -0.23 0.00 2.46 0.21 -4.18 115.29 119.20 2jrj s HIS 32 Ca 0.14 1.36 -0.23 0.00 0.47 0.00 0.00 55.06 56.80 2jrj s HIS 32 Cb -0.21 -3.71 -0.01 0.00 -0.13 0.00 0.00 32.58 28.52 2jrj s HIS 32 CO 0.10 -1.98 0.73 0.08 -2.47 0.00 0.00 174.74 171.19 2jrj s VAL 33 N -1.00 4.92 0.56 0.89 1.01 -1.26 -1.99 120.40 123.53 2jrj s VAL 33 Ca 0.50 1.36 -0.17 0.00 0.00 0.00 0.00 61.98 63.67 2jrj s VAL 33 Cb -0.40 -4.03 -0.05 0.00 0.00 0.00 0.00 36.38 31.90 2jrj s VAL 33 CO 0.52 -0.00 1.07 -0.76 0.00 0.00 0.00 175.10 175.93 2jrj s LEU 34 N 2.52 3.62 0.00 3.92 1.43 0.10 -4.92 118.68 125.35 2jrj s LEU 34 Ca 0.31 1.91 0.06 0.00 -1.03 0.00 0.00 54.13 55.38 2jrj s LEU 34 Cb -0.16 -4.55 0.35 0.00 0.03 0.00 0.00 46.19 41.86 2jrj s LEU 34 CO 0.09 -1.11 0.78 -2.65 0.23 0.00 0.00 176.35 173.69 2jrj n PRO 35 N -1.68 0.21 -0.03 1.29 -0.02 -1.26 -0.86 135.00 132.64 2jrj n PRO 35 Ca 0.09 0.00 0.03 0.00 -2.02 0.00 0.00 63.50 61.60 2jrj n PRO 35 Cb 0.52 -1.44 0.04 0.00 -0.02 0.00 0.00 33.50 32.60 2jrj n PRO 35 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2jrj n GLY 37 N 0.15 0.98 3.86 0.00 0.00 -0.04 -5.09 105.19 105.05 2jrj n GLY 37 Ca 0.04 -0.43 -0.26 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.00 3.28 -0.01 1.61 3.76 -1.25 -4.91 115.29 115.77 2jrj s HIS 38 Ca 0.00 0.02 0.04 0.00 -0.15 0.00 0.00 55.06 54.97 2jrj s HIS 38 Cb 0.00 -1.56 -0.03 0.00 1.11 0.00 0.00 32.58 32.10 2jrj s HIS 38 CO 0.00 0.51 -0.12 -0.51 -0.85 0.00 0.00 174.74 173.78 2jrj s LEU 39 N -3.24 2.91 -0.24 0.89 1.43 -1.26 0.03 118.68 119.20 2jrj s LEU 39 Ca 0.32 -0.21 -0.23 0.00 -1.03 0.00 0.00 54.13 52.99 2jrj s LEU 39 Cb -0.10 -1.66 0.06 0.00 0.03 0.00 0.00 46.19 44.52 2jrj s LEU 39 CO 0.25 0.30 0.65 -1.48 0.23 0.00 0.00 176.35 176.31 2jrj s LEU 40 N -1.15 -0.48 0.82 1.79 0.05 -0.84 -4.94 118.68 113.93 2jrj s LEU 40 Ca 0.14 1.28 -0.14 0.00 0.05 0.00 0.00 54.13 55.46 2jrj s LEU 40 Cb -0.11 2.23 0.04 0.00 -2.05 0.00 0.00 46.19 46.30 2jrj s LEU 40 CO 0.04 -0.24 0.82 0.00 -0.55 0.00 0.00 176.35 176.42 2jrj n HIS 41 N 2.66 0.02 -0.24 3.48 -0.00 -1.26 0.67 115.22 120.55 2jrj n HIS 41 Ca -0.14 0.35 -0.13 0.00 -0.00 0.00 0.00 57.72 57.80 2jrj n HIS 41 Cb 0.56 -1.97 -0.10 0.00 -0.00 0.00 0.00 29.99 28.47 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 -0.90 -0.24 -0.42 -1.40 2.47 -1.69 -0.67 114.38 111.52 2jrj h ARG 42 Ca -0.45 0.02 -0.11 0.00 -1.26 0.00 0.00 59.98 58.18 2jrj h ARG 42 Cb 1.31 0.06 -0.02 0.00 -1.65 0.00 0.00 29.97 29.67 2jrj h ARG 42 CO 0.42 -0.16 -0.17 1.15 0.56 0.00 0.00 179.97 181.77 2jrj h THR 43 N -0.25 1.27 0.00 2.04 2.02 -1.90 -2.17 112.91 113.91 2jrj h THR 43 Ca 0.11 -1.27 -0.02 0.00 0.77 0.00 0.00 66.41 66.00 2jrj h THR 43 Cb 0.53 1.12 -0.00 0.00 -1.74 0.00 0.00 68.15 68.06 2jrj h THR 43 CO -0.72 0.43 -0.08 0.00 0.37 0.00 0.00 175.52 175.52 2jrj h TYR 45 N 0.00 0.32 -0.39 0.00 3.20 -0.54 -0.87 116.97 118.68 2jrj h TYR 45 Ca -0.00 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.87 2jrj h TYR 45 Cb 0.17 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.32 2jrj h TYR 45 CO 0.00 0.24 0.24 0.93 -1.64 0.00 0.00 178.16 177.93 2jrj h GLU 46 N 0.31 0.54 -0.78 1.82 5.08 -1.21 0.47 114.58 120.81 2jrj h GLU 46 Ca 0.09 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.35 2jrj h GLU 46 Cb 0.02 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.12 2jrj h GLU 46 CO -0.02 0.40 0.28 0.93 -1.00 0.00 0.00 179.01 179.60 2jrj h GLU 47 N 0.52 1.19 0.05 2.33 4.39 -1.23 0.22 114.58 122.04 2jrj h GLU 47 Ca 0.14 -0.23 -0.00 0.00 0.34 0.00 0.00 59.36 59.61 2jrj h GLU 47 Cb -0.00 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 28.47 2jrj h GLU 47 CO -0.03 0.98 -0.02 1.98 -1.16 0.00 0.00 179.01 180.76 2jrj h MET 48 N 1.15 -0.06 0.00 2.33 4.05 -0.99 -3.18 114.93 118.23 2jrj h MET 48 Ca 0.26 0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 59.68 2jrj h MET 48 Cb 0.26 0.01 -0.00 0.00 -0.80 0.00 0.00 31.60 31.07 2jrj h MET 48 CO -0.02 0.52 -0.01 1.25 0.23 0.00 0.00 176.91 178.88 2jrj h LEU 49 N -0.69 0.00 -1.13 3.39 5.85 -0.82 -0.79 115.31 121.12 2jrj h LEU 49 Ca -0.01 0.00 0.23 0.00 0.84 0.00 0.00 57.88 58.95 2jrj h LEU 49 Cb 0.60 0.00 -0.11 0.00 0.37 0.00 0.00 40.66 41.52 2jrj h LEU 49 CO 0.01 0.01 0.62 0.50 -0.34 0.00 0.00 178.44 179.24 2jrj h LYS 50 N 0.00 0.56 0.07 1.25 3.64 -0.53 -2.12 116.57 119.45 2jrj h LYS 50 Ca -0.00 -0.03 -0.37 0.00 -1.27 0.00 0.00 60.65 58.98 2jrj h LYS 50 Cb 0.02 -0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 31.68 2jrj h LYS 50 CO 0.00 0.37 -2.14 0.39 -2.27 0.00 0.00 179.45 175.80 2jrj n GLU 51 N -4.76 0.71 -1.58 1.90 -0.58 -0.48 -4.98 120.64 110.88 2jrj n GLU 51 Ca 0.25 0.22 -0.18 0.00 -0.42 0.00 0.00 57.16 57.03 2jrj n GLU 51 Cb 0.73 -1.65 -0.07 0.00 -0.57 0.00 0.00 31.44 29.88 2jrj n GLU 51 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2jrj n GLY 52 N 2.03 1.60 1.34 0.62 0.00 -0.43 -4.98 105.19 105.38 2jrj n GLY 52 Ca -0.35 -0.16 -0.11 0.00 0.00 0.00 0.00 46.02 45.39 2jrj n GLY 52 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 2jrj n TYR 53 N -2.59 -3.42 -1.78 1.61 0.18 -1.26 -4.95 117.16 104.94 2jrj n TYR 53 Ca -0.18 -0.38 -0.41 0.00 1.88 0.00 0.00 57.90 58.80 2jrj n TYR 53 Cb 0.59 -0.42 -0.01 0.00 -0.38 0.00 0.00 39.34 39.12 2jrj n TYR 53 CO 0.00 0.00 0.00 1.03 -2.08 0.00 0.00 176.86 175.81 2jrj s ARG 54 N -3.96 4.12 -0.51 -3.48 3.00 -1.26 -4.91 118.95 111.94 2jrj s ARG 54 Ca 0.27 2.58 -0.28 0.00 0.00 0.00 0.00 55.73 58.30 2jrj s ARG 54 Cb -0.02 -3.01 0.03 0.00 0.00 0.00 0.00 34.95 31.95 2jrj s ARG 54 CO 0.20 -0.61 1.12 0.00 0.00 0.00 0.00 175.30 176.01 2jrj h PRO 56 N 9.32 0.00 0.00 0.00 0.13 -2.01 -1.15 132.00 138.29 2jrj h PRO 56 Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 2jrj h PRO 56 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 2jrj h PRO 56 CO 1.13 0.01 0.00 1.28 -0.23 0.00 0.00 178.00 180.19 2jrj n LEU 57 N -3.21 0.30 0.09 1.56 4.32 -1.26 -1.87 117.00 116.93 2jrj n LEU 57 Ca -0.03 0.57 0.08 0.00 -0.02 0.00 0.00 56.01 56.62 2jrj n LEU 57 Cb 0.11 -0.52 0.39 0.00 -1.62 0.00 0.00 43.42 41.78 2jrj n LEU 57 CO 0.22 -0.36 0.75 0.00 -1.22 0.00 0.00 177.39 176.78 2jrj h MET 59 N 0.00 0.00 -1.62 0.00 -1.53 -1.60 -3.44 114.93 106.74 2jrj h MET 59 Ca 0.00 0.00 -0.14 0.00 -3.44 0.00 0.00 59.70 56.12 2jrj h MET 59 Cb 0.14 0.00 -0.27 0.00 -0.55 0.00 0.00 31.60 30.92 2jrj h MET 59 CO 0.00 0.81 -0.49 -1.58 0.14 0.00 0.00 176.91 175.79 2jrj s HIS 60 N -2.78 -1.10 0.00 1.39 5.65 -0.04 -5.22 115.29 113.19 2jrj s HIS 60 Ca 0.01 0.60 0.00 0.00 0.25 0.00 0.00 55.06 55.93 2jrj s HIS 60 Cb 0.09 -0.02 0.00 0.00 -1.18 0.00 0.00 32.58 31.47 2jrj s HIS 60 CO 0.80 -0.93 0.00 0.43 -0.65 0.00 0.00 174.74 174.39