#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 -0.65 0.46 4.31 2.47 -1.26 -5.04 114.94 115.23 2jrj s ASN 11 Ca 0.00 0.95 0.20 0.00 0.42 0.00 0.00 52.86 54.43 2jrj s ASN 11 Cb 0.00 0.86 1.13 0.00 -1.45 0.00 0.00 41.25 41.79 2jrj s ASN 11 CO 0.00 -0.43 1.98 -0.37 -3.72 0.00 0.00 177.10 174.56 2jrj h VAL 12 N 3.34 0.88 -2.62 -5.21 -1.51 -2.05 -3.43 116.25 105.67 2jrj h VAL 12 Ca -0.27 -0.77 -0.57 0.00 -1.23 0.00 0.00 66.70 63.86 2jrj h VAL 12 Cb 1.15 1.45 -0.08 0.00 -2.13 0.00 0.00 31.29 31.68 2jrj h VAL 12 CO 0.25 0.20 -0.59 -0.94 -1.23 0.00 0.00 177.57 175.25 2jrj s SER 13 N -6.57 5.20 0.01 4.19 1.04 -1.26 -5.06 113.70 111.25 2jrj s SER 13 Ca -0.03 -0.28 -0.26 0.00 0.48 0.00 0.00 55.95 55.86 2jrj s SER 13 Cb 0.14 -1.25 -0.16 0.00 0.10 0.00 0.00 66.02 64.86 2jrj s SER 13 CO 0.65 0.05 1.20 -0.61 0.98 0.00 0.00 173.24 175.51 2jrj h GLN 14 N 2.28 -0.65 -6.08 4.02 4.15 -1.83 -3.43 115.11 113.57 2jrj h GLN 14 Ca -0.47 0.04 -0.61 0.00 0.77 0.00 0.00 58.65 58.39 2jrj h GLN 14 Cb 1.21 0.15 -0.29 0.00 0.21 0.00 0.00 27.48 28.76 2jrj h GLN 14 CO 0.61 -0.34 -0.85 -0.65 -1.93 0.00 0.00 178.83 175.66 2jrj s GLN 15 N -4.74 1.64 -0.15 1.69 1.11 -0.63 -5.02 119.66 113.56 2jrj s GLN 15 Ca -0.14 -0.80 -0.07 0.00 0.01 0.00 0.00 55.36 54.35 2jrj s GLN 15 Cb 0.02 -1.63 -0.04 0.00 -1.01 0.00 0.00 33.01 30.35 2jrj s GLN 15 CO 0.49 0.44 0.11 0.54 0.01 0.00 0.00 175.29 176.88 2jrj s ASN 16 N -0.66 6.08 -0.51 5.90 2.20 -1.26 -0.30 114.94 126.40 2jrj s ASN 16 Ca 0.08 0.31 -0.27 0.00 -0.94 0.00 0.00 52.86 52.04 2jrj s ASN 16 Cb -0.08 -1.99 0.03 0.00 -2.00 0.00 0.00 41.25 37.21 2jrj s ASN 16 CO -0.00 0.31 1.06 0.00 -2.94 0.00 0.00 177.10 175.53 2jrj n PRO 18 N 7.75 0.07 0.21 0.00 -0.04 -1.26 0.53 135.00 142.26 2jrj n PRO 18 Ca 0.08 0.29 0.08 0.00 -0.04 0.00 0.00 63.50 63.91 2jrj n PRO 18 Cb 0.49 -1.62 0.47 0.00 -0.04 0.00 0.00 33.50 32.79 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 0.78 0.00 0.52 1.08 -1.95 -3.38 117.51 114.55 2jrj h ILE 19 Ca 0.00 -1.15 -0.03 0.00 -0.39 0.00 0.00 64.86 63.30 2jrj h ILE 19 Cb 0.31 1.71 -0.03 0.00 -3.07 0.00 0.00 36.82 35.75 2jrj h ILE 19 CO 0.00 0.27 -0.06 0.00 -0.69 0.00 0.00 178.15 177.67 2jrj n LEU 21 N 0.00 -1.65 -5.00 0.00 4.77 0.19 -4.97 117.00 110.34 2jrj n LEU 21 Ca -0.06 0.26 -0.19 0.00 -0.03 0.00 0.00 56.01 56.00 2jrj n LEU 21 Cb 0.43 -2.81 0.03 0.00 -2.33 0.00 0.00 43.42 38.74 2jrj n LEU 21 CO -0.03 -0.65 0.26 -0.70 -1.33 0.00 0.00 177.39 174.94 2jrj s GLU 22 N -4.33 2.62 0.49 3.23 -6.30 -1.13 -4.81 118.70 108.47 2jrj s GLU 22 Ca 0.00 -1.12 -0.20 0.00 -2.50 0.00 0.00 54.97 51.15 2jrj s GLU 22 Cb 0.00 -2.64 -0.09 0.00 0.00 0.00 0.00 34.13 31.41 2jrj s GLU 22 CO 0.00 -0.54 1.02 0.34 0.02 0.00 0.00 175.26 176.10 2jrj s ASP 23 N -4.43 6.44 -0.09 -1.70 2.15 -1.26 0.21 116.67 117.99 2jrj s ASP 23 Ca 0.57 1.84 -0.04 0.00 0.43 0.00 0.00 52.55 55.36 2jrj s ASP 23 Cb -0.09 -2.55 0.05 0.00 -0.30 0.00 0.00 42.92 40.02 2jrj s ASP 23 CO 0.36 -0.71 0.18 -0.63 -0.17 0.00 0.00 175.17 174.20 2jrj s ILE 24 N -2.11 -0.25 0.25 4.11 1.01 0.59 -4.63 121.20 120.17 2jrj s ILE 24 Ca 0.65 0.31 0.07 0.00 0.00 0.00 0.00 60.65 61.68 2jrj s ILE 24 Cb -0.14 -0.31 -0.04 0.00 0.01 0.00 0.00 42.46 41.98 2jrj s ILE 24 CO 0.21 0.13 0.21 -2.28 0.00 0.00 0.00 174.94 173.21 2jrj s HIS 25 N 2.11 3.16 0.26 3.97 2.46 -1.26 -1.61 115.29 124.38 2jrj s HIS 25 Ca 0.00 -0.09 0.33 0.00 0.47 0.00 0.00 55.06 55.77 2jrj s HIS 25 Cb -0.12 -1.43 1.78 0.00 -0.13 0.00 0.00 32.58 32.68 2jrj s HIS 25 CO -0.06 0.51 2.00 1.79 -2.47 0.00 0.00 174.74 176.50 2jrj h THR 26 N 1.48 0.00 -1.76 0.89 1.35 -1.98 -3.43 112.91 109.46 2jrj h THR 26 Ca -0.49 0.00 -0.53 0.00 -0.55 0.00 0.00 66.41 64.85 2jrj h THR 26 Cb 1.24 0.72 0.00 0.00 -1.73 0.00 0.00 68.15 68.38 2jrj h THR 26 CO 0.61 0.00 1.57 -1.20 -0.25 0.00 0.00 175.52 176.25 2jrj n SER 27 N -2.67 2.74 0.14 5.36 7.64 -1.26 -4.80 113.62 120.77 2jrj n SER 27 Ca -0.02 -0.16 0.11 0.00 1.01 0.00 0.00 58.87 59.81 2jrj n SER 27 Cb 0.08 -1.56 0.51 0.00 -1.01 0.00 0.00 64.21 62.23 2jrj n SER 27 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2jrj n ARG 28 N 8.88 0.17 0.07 1.43 3.00 -1.26 -0.54 116.66 128.42 2jrj n ARG 28 Ca 0.34 0.49 -0.04 0.00 -0.01 0.00 0.00 57.85 58.63 2jrj n ARG 28 Cb 0.49 -1.89 0.17 0.00 0.00 0.00 0.00 32.46 31.23 2jrj n ARG 28 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 2jrj h VAL 29 N 0.00 1.33 0.00 1.55 2.07 -1.96 -3.36 116.25 115.88 2jrj h VAL 29 Ca 0.00 -1.67 -0.40 0.00 0.82 0.00 0.00 66.70 65.45 2jrj h VAL 29 Cb 0.25 1.76 -0.06 0.00 -1.52 0.00 0.00 31.29 31.72 2jrj h VAL 29 CO 0.00 0.50 -2.25 0.52 0.02 0.00 0.00 177.57 176.36 2jrj n VAL 30 N -3.98 1.53 -3.20 2.57 0.31 -0.70 -4.86 118.33 110.00 2jrj n VAL 30 Ca -0.02 -0.30 -0.42 0.00 -0.01 0.00 0.00 64.34 63.59 2jrj n VAL 30 Cb 0.53 -1.93 -0.07 0.00 -0.91 0.00 0.00 33.84 31.45 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 -2.51 3.44 0.16 3.52 0.00 0.30 -4.36 121.76 122.31 2jrj s ALA 31 Ca -0.37 -1.08 -0.31 0.00 0.00 0.00 0.00 51.96 50.20 2jrj s ALA 31 Cb 0.13 -3.11 -0.10 0.00 0.00 0.00 0.00 23.12 20.03 2jrj s ALA 31 CO 0.50 -1.40 1.69 -1.58 0.00 0.00 0.00 175.76 174.96 2jrj s HIS 32 N 2.52 2.72 -0.21 0.00 5.65 0.24 -4.17 115.29 122.04 2jrj s HIS 32 Ca 0.20 0.35 -0.26 0.00 0.25 0.00 0.00 55.06 55.60 2jrj s HIS 32 Cb -0.15 -4.06 -0.01 0.00 -1.18 0.00 0.00 32.58 27.18 2jrj s HIS 32 CO 0.15 -4.10 0.88 0.54 -0.65 0.00 0.00 174.74 171.56 2jrj s VAL 33 N 1.70 4.82 0.60 0.89 0.11 -1.26 -1.99 120.40 125.28 2jrj s VAL 33 Ca 0.75 1.69 -0.16 0.00 -2.93 0.00 0.00 61.98 61.33 2jrj s VAL 33 Cb -0.46 -4.17 -0.03 0.00 -1.53 0.00 0.00 36.38 30.20 2jrj s VAL 33 CO 0.33 -0.05 1.07 -0.76 -3.33 0.00 0.00 175.10 172.35 2jrj s LEU 34 N 2.62 3.50 0.00 2.54 1.43 0.11 -4.93 118.68 123.95 2jrj s LEU 34 Ca 0.38 1.88 0.04 0.00 -1.03 0.00 0.00 54.13 55.40 2jrj s LEU 34 Cb -0.16 -4.54 0.16 0.00 0.03 0.00 0.00 46.19 41.69 2jrj s LEU 34 CO 0.09 -1.26 1.12 -2.65 0.23 0.00 0.00 176.35 173.89 2jrj n PRO 35 N -2.04 0.00 -0.51 1.29 -0.02 -1.26 -0.75 135.00 131.71 2jrj n PRO 35 Ca 0.09 0.43 0.08 0.00 -2.02 0.00 0.00 63.50 62.09 2jrj n PRO 35 Cb 0.53 -1.50 0.29 0.00 -0.02 0.00 0.00 33.50 32.79 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 0.14 2.19 3.86 0.00 0.00 0.07 -5.03 105.19 106.42 2jrj n GLY 37 Ca 0.22 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.32 3.52 0.02 1.61 3.76 -1.26 -4.74 115.29 115.89 2jrj s HIS 38 Ca 0.00 1.28 0.03 0.00 -0.15 0.00 0.00 55.06 56.22 2jrj s HIS 38 Cb 0.00 -2.66 -0.04 0.00 1.11 0.00 0.00 32.58 30.99 2jrj s HIS 38 CO 0.00 -0.41 -0.04 -0.51 -0.85 0.00 0.00 174.74 172.93 2jrj s LEU 39 N -4.43 3.32 0.00 0.89 1.43 -1.26 0.05 118.68 118.69 2jrj s LEU 39 Ca 0.55 -0.11 -0.26 0.00 -1.03 0.00 0.00 54.13 53.28 2jrj s LEU 39 Cb -0.10 -1.93 0.06 0.00 0.03 0.00 0.00 46.19 44.25 2jrj s LEU 39 CO 0.39 0.27 0.59 -1.48 0.23 0.00 0.00 176.35 176.35 2jrj s LEU 40 N -1.60 -0.34 1.04 1.79 0.05 -0.84 -4.95 118.68 113.83 2jrj s LEU 40 Ca 0.19 0.43 -0.14 0.00 0.05 0.00 0.00 54.13 54.66 2jrj s LEU 40 Cb -0.11 2.31 0.21 0.00 -2.05 0.00 0.00 46.19 46.54 2jrj s LEU 40 CO 0.10 -0.66 1.11 -1.38 -0.55 0.00 0.00 176.35 174.96 2jrj s HIS 41 N -1.84 1.77 0.04 3.48 0.00 -1.26 0.81 115.29 118.29 2jrj s HIS 41 Ca -0.08 0.84 -0.09 0.00 -3.00 0.00 0.00 55.06 52.72 2jrj s HIS 41 Cb -0.01 -3.34 -0.03 0.00 -4.00 0.00 0.00 32.58 25.20 2jrj s HIS 41 CO 0.04 -3.09 1.15 0.00 -1.00 0.00 0.00 174.74 171.84 2jrj h ARG 42 N -2.02 -0.12 -0.59 -0.38 2.47 -1.97 0.61 114.38 112.38 2jrj h ARG 42 Ca -0.52 0.01 -0.00 0.00 -1.26 0.00 0.00 59.98 58.20 2jrj h ARG 42 Cb 1.32 0.03 -0.03 0.00 -1.65 0.00 0.00 29.97 29.64 2jrj h ARG 42 CO 0.53 -0.08 0.36 1.15 0.56 0.00 0.00 179.97 182.49 2jrj h THR 43 N -0.12 1.17 0.00 2.04 2.02 -1.98 -2.10 112.91 113.94 2jrj h THR 43 Ca 0.02 -0.37 -0.02 0.00 0.77 0.00 0.00 66.41 66.81 2jrj h THR 43 Cb 0.17 0.35 -0.00 0.00 -1.74 0.00 0.00 68.15 66.93 2jrj h THR 43 CO -0.15 0.17 -0.07 0.00 0.37 0.00 0.00 175.52 175.84 2jrj h TYR 45 N 0.00 -0.04 -0.46 0.00 3.20 -0.16 -2.37 116.97 117.15 2jrj h TYR 45 Ca -0.00 -0.00 -0.11 0.00 3.14 0.00 0.00 58.73 61.76 2jrj h TYR 45 Cb 0.24 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.51 2jrj h TYR 45 CO 0.00 0.05 -0.14 0.93 -1.64 0.00 0.00 178.16 177.36 2jrj h GLU 46 N -0.11 0.91 -0.08 1.82 5.08 -1.13 -2.15 114.58 118.92 2jrj h GLU 46 Ca -0.00 -0.36 0.03 0.00 -1.00 0.00 0.00 59.36 58.02 2jrj h GLU 46 Cb 0.10 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.27 2jrj h GLU 46 CO 0.01 1.01 -0.09 0.93 -1.00 0.00 0.00 179.01 179.87 2jrj h GLU 47 N 0.75 -0.11 -0.02 2.33 5.08 -1.09 0.23 114.58 121.74 2jrj h GLU 47 Ca 0.11 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.47 2jrj h GLU 47 Cb 0.70 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.97 2jrj h GLU 47 CO 0.05 -0.08 -0.02 1.98 -1.00 0.00 0.00 179.01 179.94 2jrj h MET 48 N -0.12 0.04 -0.42 2.33 4.05 -1.44 -3.21 114.93 116.17 2jrj h MET 48 Ca 0.06 -0.02 -0.03 0.00 -0.28 0.00 0.00 59.70 59.43 2jrj h MET 48 Cb 0.21 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 30.99 2jrj h MET 48 CO -0.15 0.54 0.15 1.25 0.23 0.00 0.00 176.91 178.93 2jrj h LEU 49 N -0.45 0.54 -0.40 3.39 5.85 -1.31 -1.18 115.31 121.75 2jrj h LEU 49 Ca 0.00 -0.06 0.06 0.00 0.84 0.00 0.00 57.88 58.72 2jrj h LEU 49 Cb 0.53 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.37 2jrj h LEU 49 CO 0.00 0.50 0.08 0.50 -0.34 0.00 0.00 178.44 179.19 2jrj h LYS 50 N 0.59 0.20 -0.27 1.25 3.64 -0.54 -1.99 116.57 119.45 2jrj h LYS 50 Ca 0.14 -0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.42 2jrj h LYS 50 Cb 0.15 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 2jrj h LYS 50 CO -0.01 0.13 -0.18 0.93 -2.27 0.00 0.00 179.45 178.05 2jrj h GLU 51 N 0.20 0.60 -0.19 1.90 5.08 -1.46 -3.47 114.58 117.24 2jrj h GLU 51 Ca 0.19 -0.28 -0.08 0.00 -1.00 0.00 0.00 59.36 58.19 2jrj h GLU 51 Cb 0.23 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.44 2jrj h GLU 51 CO -0.25 0.87 -0.07 0.41 -1.00 0.00 0.00 179.01 178.96 2jrj n GLY 52 N 0.04 0.69 3.90 -3.84 0.00 -0.49 -5.03 105.19 100.46 2jrj n GLY 52 Ca -0.04 -0.77 -0.30 0.00 0.00 0.00 0.00 46.02 44.91 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 -2.12 1.68 -0.01 1.61 1.13 -1.26 -4.95 117.35 113.43 2jrj s TYR 53 Ca 0.00 0.39 -0.30 0.00 -1.41 0.00 0.00 57.07 55.76 2jrj s TYR 53 Cb 0.00 -3.98 -0.08 0.00 -1.10 0.00 0.00 41.96 36.80 2jrj s TYR 53 CO 0.00 -2.65 1.88 1.03 -2.51 0.00 0.00 175.55 173.30 2jrj s ARG 54 N -5.80 4.10 -0.28 -3.49 0.52 -1.26 -4.88 118.95 107.86 2jrj s ARG 54 Ca 0.72 2.44 -0.36 0.00 -0.52 0.00 0.00 55.73 58.02 2jrj s ARG 54 Cb -0.05 -4.12 -0.12 0.00 0.52 0.00 0.00 34.95 31.18 2jrj s ARG 54 CO 0.53 -0.98 2.05 0.00 0.02 0.00 0.00 175.30 176.91 2jrj h PRO 56 N 10.85 0.00 0.00 0.00 0.13 -1.98 0.08 132.00 141.07 2jrj h PRO 56 Ca -0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 2jrj h PRO 56 Cb 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 2jrj h PRO 56 CO 0.99 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 180.04 2jrj n LEU 57 N -2.70 0.00 0.16 1.56 4.32 -1.26 -1.36 117.00 117.71 2jrj n LEU 57 Ca -0.01 0.13 0.13 0.00 -0.02 0.00 0.00 56.01 56.24 2jrj n LEU 57 Cb 0.13 -0.13 0.46 0.00 -1.62 0.00 0.00 43.42 42.26 2jrj n LEU 57 CO 0.18 -0.03 0.88 0.00 -1.22 0.00 0.00 177.39 177.21 2jrj n MET 59 N -2.47 1.69 -3.44 0.00 2.81 -0.47 -4.82 117.12 110.43 2jrj n MET 59 Ca 0.03 -0.77 -0.23 0.00 -1.81 0.00 0.00 57.70 54.92 2jrj n MET 59 Cb 0.34 -1.27 -0.11 0.00 -0.71 0.00 0.00 33.22 31.47 2jrj n MET 59 CO 0.00 0.00 0.00 -1.01 1.51 0.00 0.00 175.97 176.47 2jrj s HIS 60 N -1.91 0.02 0.00 2.03 3.76 -1.03 -5.16 115.29 112.99 2jrj s HIS 60 Ca 0.13 -0.80 0.00 0.00 -0.15 0.00 0.00 55.06 54.24 2jrj s HIS 60 Cb 0.13 -0.66 0.00 0.00 1.11 0.00 0.00 32.58 33.16 2jrj s HIS 60 CO 0.41 -0.89 0.00 0.45 -0.85 0.00 0.00 174.74 173.86