#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 -0.35 -0.25 -1.84 3.84 -1.26 -5.11 114.94 109.97 2jrj s ASN 11 Ca 0.00 0.66 -0.28 0.00 0.21 0.00 0.00 52.86 53.45 2jrj s ASN 11 Cb 0.00 0.63 -0.05 0.00 -0.55 0.00 0.00 41.25 41.28 2jrj s ASN 11 CO 0.00 -0.13 2.17 -0.69 -2.79 0.00 0.00 177.10 175.65 2jrj s VAL 12 N 0.56 3.08 -0.15 -5.21 1.01 -1.26 -4.91 120.40 113.52 2jrj s VAL 12 Ca -0.03 0.08 -0.29 0.00 0.00 0.00 0.00 61.98 61.74 2jrj s VAL 12 Cb -0.05 -3.10 0.09 0.00 0.00 0.00 0.00 36.38 33.32 2jrj s VAL 12 CO -0.03 -0.07 0.80 -0.94 0.00 0.00 0.00 175.10 174.86 2jrj s SER 13 N 8.18 -0.59 -0.02 3.32 1.04 -1.26 -4.97 113.70 119.40 2jrj s SER 13 Ca 0.97 0.82 -0.06 0.00 0.48 0.00 0.00 55.95 58.17 2jrj s SER 13 Cb -0.31 0.72 -0.03 0.00 0.10 0.00 0.00 66.02 66.50 2jrj s SER 13 CO 0.34 -0.42 0.39 1.56 0.98 0.00 0.00 173.24 176.09 2jrj h GLN 14 N 3.45 -0.19 -6.78 4.02 4.20 -1.91 -3.47 115.11 114.44 2jrj h GLN 14 Ca -0.26 0.01 -0.68 0.00 0.06 0.00 0.00 58.65 57.78 2jrj h GLN 14 Cb 1.15 0.04 -0.21 0.00 0.30 0.00 0.00 27.48 28.77 2jrj h GLN 14 CO 0.27 -0.13 -0.83 -0.65 -0.67 0.00 0.00 178.83 176.82 2jrj s GLN 15 N -2.23 1.67 -0.09 1.46 -0.21 -0.09 -5.01 119.66 115.15 2jrj s GLN 15 Ca -0.03 -1.22 -0.09 0.00 0.02 0.00 0.00 55.36 54.05 2jrj s GLN 15 Cb 0.00 -2.04 -0.04 0.00 1.00 0.00 0.00 33.01 31.93 2jrj s GLN 15 CO 0.09 0.48 0.20 0.54 -2.12 0.00 0.00 175.29 174.47 2jrj s ASN 16 N -1.99 6.48 -0.48 5.90 2.20 -1.26 -0.46 114.94 125.33 2jrj s ASN 16 Ca 0.16 0.57 -0.21 0.00 -0.94 0.00 0.00 52.86 52.44 2jrj s ASN 16 Cb -0.10 -2.11 0.04 0.00 -2.00 0.00 0.00 41.25 37.08 2jrj s ASN 16 CO 0.08 0.39 0.71 0.00 -2.94 0.00 0.00 177.10 175.33 2jrj n PRO 18 N 6.50 0.12 0.14 0.00 -0.04 -1.26 0.65 135.00 141.11 2jrj n PRO 18 Ca -0.02 0.28 0.13 0.00 -0.04 0.00 0.00 63.50 63.85 2jrj n PRO 18 Cb 0.47 -1.69 0.50 0.00 -0.04 0.00 0.00 33.50 32.73 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 -1.95 -3.37 117.51 113.79 2jrj h ILE 19 Ca 0.00 -0.29 -0.01 0.00 -0.39 0.00 0.00 64.86 64.17 2jrj h ILE 19 Cb 0.40 1.09 -0.01 0.00 -3.07 0.00 0.00 36.82 35.22 2jrj h ILE 19 CO 0.00 0.00 -0.02 0.00 -0.69 0.00 0.00 178.15 177.44 2jrj n LEU 21 N 0.00 -1.62 -4.97 0.00 4.77 0.21 -4.96 117.00 110.43 2jrj n LEU 21 Ca -0.02 0.27 -0.22 0.00 -0.03 0.00 0.00 56.01 56.01 2jrj n LEU 21 Cb 0.22 -2.78 -0.02 0.00 -2.33 0.00 0.00 43.42 38.51 2jrj n LEU 21 CO -0.01 -0.65 -0.01 -1.61 -1.33 0.00 0.00 177.39 173.78 2jrj s GLU 22 N -4.31 3.45 0.54 3.23 0.41 -1.08 -4.82 118.70 116.12 2jrj s GLU 22 Ca 0.00 -0.69 -0.21 0.00 -0.41 0.00 0.00 54.97 53.66 2jrj s GLU 22 Cb 0.00 -2.86 -0.05 0.00 -1.78 0.00 0.00 34.13 29.44 2jrj s GLU 22 CO 0.00 0.39 1.21 0.34 -0.49 0.00 0.00 175.26 176.71 2jrj s ASP 23 N -3.98 5.56 -0.05 -0.19 2.15 -1.26 0.02 116.67 118.92 2jrj s ASP 23 Ca 0.35 2.41 -0.02 0.00 0.43 0.00 0.00 52.55 55.72 2jrj s ASP 23 Cb -0.09 -2.60 0.03 0.00 -0.30 0.00 0.00 42.92 39.95 2jrj s ASP 23 CO 0.30 -1.35 0.04 -0.63 -0.17 0.00 0.00 175.17 173.36 2jrj s ILE 24 N -1.55 0.06 0.53 4.11 1.01 0.39 -4.70 121.20 121.06 2jrj s ILE 24 Ca 0.72 0.31 0.08 0.00 0.00 0.00 0.00 60.65 61.76 2jrj s ILE 24 Cb -0.31 -0.28 0.06 0.00 0.01 0.00 0.00 42.46 41.94 2jrj s ILE 24 CO 0.35 0.20 0.73 -1.00 0.00 0.00 0.00 174.94 175.23 2jrj s HIS 25 N 2.01 1.96 0.09 3.97 3.76 -1.26 -0.92 115.29 124.90 2jrj s HIS 25 Ca 0.04 -0.55 -0.13 0.00 -0.15 0.00 0.00 55.06 54.27 2jrj s HIS 25 Cb -0.12 -2.34 -0.20 0.00 1.11 0.00 0.00 32.58 31.02 2jrj s HIS 25 CO -0.04 -0.93 1.23 1.79 -0.85 0.00 0.00 174.74 175.94 2jrj h THR 26 N 0.28 1.28 -1.18 1.30 1.35 -1.98 -3.42 112.91 110.55 2jrj h THR 26 Ca -0.34 -2.19 -0.77 0.00 -0.55 0.00 0.00 66.41 62.55 2jrj h THR 26 Cb 1.28 2.28 0.00 0.00 -1.73 0.00 0.00 68.15 69.99 2jrj h THR 26 CO 0.43 0.68 0.95 -0.24 -0.25 0.00 0.00 175.52 177.09 2jrj n SER 27 N -3.87 1.88 0.33 5.36 2.88 -1.26 -4.75 113.62 114.19 2jrj n SER 27 Ca -0.10 0.99 0.21 0.00 -1.33 0.00 0.00 58.87 58.65 2jrj n SER 27 Cb 0.85 -1.06 1.15 0.00 -0.75 0.00 0.00 64.21 64.40 2jrj n SER 27 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 2jrj h ARG 28 N 7.39 0.00 -0.31 -1.46 -0.00 -1.89 -0.13 114.38 117.98 2jrj h ARG 28 Ca -0.40 0.00 0.03 0.00 -0.50 0.00 0.00 59.98 59.11 2jrj h ARG 28 Cb 1.34 0.00 -0.03 0.00 0.00 0.00 0.00 29.97 31.28 2jrj h ARG 28 CO 0.99 0.00 0.11 0.28 0.00 0.00 0.00 179.97 181.35 2jrj h VAL 29 N 0.00 0.93 0.00 2.04 2.07 -1.98 -3.31 116.25 115.99 2jrj h VAL 29 Ca -0.00 -0.09 -0.25 0.00 0.82 0.00 0.00 66.70 67.18 2jrj h VAL 29 Cb 0.03 0.65 -0.04 0.00 -1.52 0.00 0.00 31.29 30.41 2jrj h VAL 29 CO 0.00 0.05 -1.40 0.52 0.02 0.00 0.00 177.57 176.76 2jrj n VAL 30 N -5.02 1.53 -3.34 2.57 0.31 -0.90 -4.80 118.33 108.68 2jrj n VAL 30 Ca -0.00 -0.06 -0.45 0.00 -0.01 0.00 0.00 64.34 63.82 2jrj n VAL 30 Cb 0.10 -2.04 -0.06 0.00 -0.91 0.00 0.00 33.84 30.93 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 -2.41 3.59 0.31 3.52 0.00 -0.11 -2.85 121.76 123.81 2jrj s ALA 31 Ca -0.30 -2.30 -0.29 0.00 0.00 0.00 0.00 51.96 49.07 2jrj s ALA 31 Cb 0.07 -3.18 -0.10 0.00 0.00 0.00 0.00 23.12 19.91 2jrj s ALA 31 CO 0.56 -1.88 1.34 -1.58 0.00 0.00 0.00 175.76 174.20 2jrj s HIS 32 N 1.66 3.03 -0.22 0.00 2.46 0.22 -3.83 115.29 118.60 2jrj s HIS 32 Ca 0.04 1.31 -0.19 0.00 0.47 0.00 0.00 55.06 56.69 2jrj s HIS 32 Cb -0.27 -3.72 -0.03 0.00 -0.13 0.00 0.00 32.58 28.44 2jrj s HIS 32 CO 0.05 -2.08 0.57 0.54 -2.47 0.00 0.00 174.74 171.36 2jrj s VAL 33 N -0.83 5.05 0.62 0.89 0.11 -1.26 -1.36 120.40 123.62 2jrj s VAL 33 Ca 0.52 1.04 -0.16 0.00 -2.93 0.00 0.00 61.98 60.45 2jrj s VAL 33 Cb -0.40 -3.89 -0.02 0.00 -1.53 0.00 0.00 36.38 30.54 2jrj s VAL 33 CO 0.51 0.11 1.08 -0.76 -3.33 0.00 0.00 175.10 172.71 2jrj s LEU 34 N 2.02 3.47 0.61 2.54 1.43 0.18 -4.92 118.68 124.00 2jrj s LEU 34 Ca 0.25 1.91 0.32 0.00 -1.03 0.00 0.00 54.13 55.57 2jrj s LEU 34 Cb -0.16 -4.54 1.84 0.00 0.03 0.00 0.00 46.19 43.36 2jrj s LEU 34 CO 0.09 -1.35 2.18 -0.65 0.23 0.00 0.00 176.35 176.86 2jrj h PRO 35 N 0.32 0.00 -0.33 1.29 0.11 -1.97 0.44 132.00 131.86 2jrj h PRO 35 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2jrj h PRO 35 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 2jrj h PRO 35 CO 0.56 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.35 2jrj n GLY 37 N 1.09 0.58 3.92 0.00 0.00 0.15 -5.06 105.19 105.87 2jrj n GLY 37 Ca 0.13 -0.80 -0.24 0.00 0.00 0.00 0.00 46.02 45.11 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 3.39 -0.08 1.61 3.76 -1.24 -4.88 115.29 115.86 2jrj s HIS 38 Ca 0.00 0.03 0.01 0.00 -0.15 0.00 0.00 55.06 54.95 2jrj s HIS 38 Cb 0.00 -1.58 -0.03 0.00 1.11 0.00 0.00 32.58 32.08 2jrj s HIS 38 CO 0.00 0.49 -0.11 -0.51 -0.85 0.00 0.00 174.74 173.76 2jrj s LEU 39 N -3.54 2.91 -0.15 0.89 1.43 -1.26 0.47 118.68 119.43 2jrj s LEU 39 Ca 0.34 -0.16 -0.19 0.00 -1.03 0.00 0.00 54.13 53.09 2jrj s LEU 39 Cb -0.10 -1.62 0.05 0.00 0.03 0.00 0.00 46.19 44.54 2jrj s LEU 39 CO 0.28 0.30 0.50 -1.48 0.23 0.00 0.00 176.35 176.18 2jrj s LEU 40 N -0.47 0.07 0.87 1.79 0.05 -0.46 -4.94 118.68 115.59 2jrj s LEU 40 Ca 0.06 0.85 -0.10 0.00 0.05 0.00 0.00 54.13 54.99 2jrj s LEU 40 Cb -0.12 1.79 0.12 0.00 -2.05 0.00 0.00 46.19 45.93 2jrj s LEU 40 CO 0.02 -0.28 1.13 -1.38 -0.55 0.00 0.00 176.35 175.30 2jrj s HIS 41 N -0.16 1.88 0.03 3.48 0.00 -1.25 0.69 115.29 119.95 2jrj s HIS 41 Ca -0.04 1.73 -0.06 0.00 -3.00 0.00 0.00 55.06 53.69 2jrj s HIS 41 Cb -0.03 -3.27 -0.01 0.00 -4.00 0.00 0.00 32.58 25.26 2jrj s HIS 41 CO 0.02 -2.54 0.98 0.54 -1.00 0.00 0.00 174.74 172.74 2jrj n ARG 42 N -4.01 -0.09 -0.26 -0.38 5.12 -1.13 -0.82 116.66 115.08 2jrj n ARG 42 Ca 0.11 0.97 -0.05 0.00 -1.93 0.00 0.00 57.85 56.95 2jrj n ARG 42 Cb 0.52 -1.45 0.06 0.00 -1.16 0.00 0.00 32.46 30.43 2jrj n ARG 42 CO 0.00 0.00 0.00 1.15 -1.93 0.00 0.00 177.63 176.85 2jrj h THR 43 N 0.00 1.21 0.00 0.55 2.02 -1.93 -1.85 112.91 112.91 2jrj h THR 43 Ca 0.03 -0.46 -0.02 0.00 0.77 0.00 0.00 66.41 66.73 2jrj h THR 43 Cb 0.08 0.22 -0.00 0.00 -1.74 0.00 0.00 68.15 66.71 2jrj h THR 43 CO -0.19 0.22 -0.09 0.00 0.37 0.00 0.00 175.52 175.82 2jrj h TYR 45 N 0.00 0.38 -0.40 0.00 3.20 -0.10 -1.74 116.97 118.31 2jrj h TYR 45 Ca -0.00 0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.79 2jrj h TYR 45 Cb 0.24 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.37 2jrj h TYR 45 CO 0.00 0.24 -0.08 0.93 -1.64 0.00 0.00 178.16 177.61 2jrj h GLU 46 N 0.40 0.76 0.15 1.82 5.08 -1.09 -2.14 114.58 119.56 2jrj h GLU 46 Ca 0.11 -0.28 0.02 0.00 -1.00 0.00 0.00 59.36 58.20 2jrj h GLU 46 Cb -0.04 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.13 2jrj h GLU 46 CO -0.02 0.89 -0.30 0.93 -1.00 0.00 0.00 179.01 179.50 2jrj h GLU 47 N 0.58 -0.52 -0.09 2.33 5.08 -1.02 0.19 114.58 121.13 2jrj h GLU 47 Ca 0.10 0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.47 2jrj h GLU 47 Cb 0.60 0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.96 2jrj h GLU 47 CO 0.04 -0.35 -0.05 1.98 -1.00 0.00 0.00 179.01 179.63 2jrj h MET 48 N -0.54 0.19 0.00 2.33 4.05 -1.36 -3.06 114.93 116.54 2jrj h MET 48 Ca 0.02 -0.09 -0.05 0.00 -0.28 0.00 0.00 59.70 59.31 2jrj h MET 48 Cb 0.56 -0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.35 2jrj h MET 48 CO -0.16 0.56 -0.22 1.25 0.23 0.00 0.00 176.91 178.58 2jrj h LEU 49 N -0.19 0.00 -0.56 3.39 5.85 -1.31 0.35 115.31 122.84 2jrj h LEU 49 Ca 0.02 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 2jrj h LEU 49 Cb 0.51 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.52 2jrj h LEU 49 CO 0.01 0.22 0.26 0.50 -0.34 0.00 0.00 178.44 179.09 2jrj h LYS 50 N 0.00 0.82 -0.02 1.25 3.64 -0.53 -2.96 116.57 118.77 2jrj h LYS 50 Ca -0.00 -0.13 -0.25 0.00 -1.27 0.00 0.00 60.65 59.00 2jrj h LYS 50 Cb 0.41 -0.14 0.01 0.00 -0.41 0.00 0.00 32.23 32.10 2jrj h LYS 50 CO 0.03 0.68 -0.98 0.93 -2.27 0.00 0.00 179.45 177.84 2jrj h GLU 51 N 0.76 0.61 -1.70 1.90 4.39 -1.28 -3.48 114.58 115.79 2jrj h GLU 51 Ca 0.19 -0.63 -0.27 0.00 0.34 0.00 0.00 59.36 58.99 2jrj h GLU 51 Cb 0.15 0.18 -0.03 0.00 -0.10 0.00 0.00 28.75 28.94 2jrj h GLU 51 CO -0.02 1.24 -0.33 0.41 -1.16 0.00 0.00 179.01 179.15 2jrj n GLY 52 N 0.99 0.07 3.95 -3.84 0.00 0.04 -5.01 105.19 101.40 2jrj n GLY 52 Ca -0.09 -0.34 -0.27 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.64 1.76 0.31 1.61 1.13 -1.26 -5.01 117.35 113.25 2jrj s TYR 53 Ca 0.00 0.11 -0.30 0.00 -1.41 0.00 0.00 57.07 55.48 2jrj s TYR 53 Cb 0.00 -3.58 -0.12 0.00 -1.10 0.00 0.00 41.96 37.17 2jrj s TYR 53 CO 0.00 -2.14 1.55 2.89 -2.51 0.00 0.00 175.55 175.34 2jrj n ARG 54 N -3.31 2.63 -2.22 -3.49 1.85 -1.26 -4.89 116.66 105.97 2jrj n ARG 54 Ca 0.14 0.93 -0.42 0.00 -1.00 0.00 0.00 57.85 57.50 2jrj n ARG 54 Cb 0.60 -2.69 -0.03 0.00 -1.05 0.00 0.00 32.46 29.30 2jrj n ARG 54 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2jrj h PRO 56 N 12.05 0.00 0.00 0.00 0.13 -1.95 -1.99 132.00 140.24 2jrj h PRO 56 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 2jrj h PRO 56 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 2jrj h PRO 56 CO 1.12 0.00 0.00 -0.07 -0.23 0.00 0.00 178.00 178.82 2jrj h LEU 57 N 0.00 0.00 -1.47 1.56 4.07 -1.89 -1.36 115.31 116.22 2jrj h LEU 57 Ca 0.00 0.00 -0.05 0.00 0.08 0.00 0.00 57.88 57.91 2jrj h LEU 57 Cb 0.34 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.08 2jrj h LEU 57 CO 0.00 0.00 -0.22 0.00 -1.08 0.00 0.00 178.44 177.14 2jrj n MET 59 N -4.25 1.47 -3.64 0.00 0.00 -0.70 -4.93 117.12 105.07 2jrj n MET 59 Ca -0.02 -0.87 -0.18 0.00 0.00 0.00 0.00 57.70 56.63 2jrj n MET 59 Cb 0.29 -1.16 -0.16 0.00 0.00 0.00 0.00 33.22 32.19 2jrj n MET 59 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 175.97 174.96 2jrj s HIS 60 N -1.28 -0.15 0.00 3.17 4.02 -0.60 -5.15 115.29 115.31 2jrj s HIS 60 Ca 0.11 0.48 0.00 0.00 1.02 0.00 0.00 55.06 56.67 2jrj s HIS 60 Cb 0.09 -0.32 0.00 0.00 -1.02 0.00 0.00 32.58 31.34 2jrj s HIS 60 CO 0.23 -0.32 0.00 0.43 1.02 0.00 0.00 174.74 176.10