#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 3.16 -0.80 -1.84 4.22 -1.26 -5.04 114.94 113.38 2jrj s ASN 11 Ca 0.00 -2.13 0.02 0.00 -2.14 0.00 0.00 52.86 48.61 2jrj s ASN 11 Cb 0.00 -0.49 0.20 0.00 1.28 0.00 0.00 41.25 42.24 2jrj s ASN 11 CO 0.00 -0.32 0.66 1.33 -2.04 0.00 0.00 177.10 176.73 2jrj n VAL 12 N 4.13 2.38 0.12 3.54 0.24 -1.26 -4.91 118.33 122.57 2jrj n VAL 12 Ca 0.09 -5.03 0.00 0.00 -2.04 0.00 0.00 64.34 57.36 2jrj n VAL 12 Cb 0.37 -2.26 0.30 0.00 -1.47 0.00 0.00 33.84 30.78 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 5.55 0.20 -0.75 -1.34 0.02 -1.96 -3.35 113.55 111.92 2jrj h SER 13 Ca 0.16 -0.07 -0.35 0.00 -0.84 0.00 0.00 61.79 60.69 2jrj h SER 13 Cb 0.77 -0.05 -0.06 0.00 0.14 0.00 0.00 62.40 63.20 2jrj h SER 13 CO 0.80 0.51 0.91 -1.58 -1.14 0.00 0.00 176.83 176.34 2jrj s GLN 14 N -4.34 2.73 0.65 3.45 0.74 -1.26 -4.40 119.66 117.22 2jrj s GLN 14 Ca -0.04 -0.55 -0.18 0.00 0.05 0.00 0.00 55.36 54.64 2jrj s GLN 14 Cb 0.14 -5.14 -0.01 0.00 1.10 0.00 0.00 33.01 29.11 2jrj s GLN 14 CO 0.75 -3.25 1.26 -0.65 -0.55 0.00 0.00 175.29 172.85 2jrj s GLN 15 N 6.59 2.56 0.16 1.67 -0.21 -1.22 -4.84 119.66 124.38 2jrj s GLN 15 Ca 0.66 1.97 -0.03 0.00 0.02 0.00 0.00 55.36 57.98 2jrj s GLN 15 Cb -0.05 -1.86 -0.05 0.00 1.00 0.00 0.00 33.01 32.06 2jrj s GLN 15 CO -0.00 -1.57 0.37 0.54 -2.12 0.00 0.00 175.29 172.51 2jrj s ASN 16 N -1.54 6.43 -0.46 5.90 2.20 -1.26 -2.41 114.94 123.81 2jrj s ASN 16 Ca 0.80 0.49 -0.17 0.00 -0.94 0.00 0.00 52.86 53.04 2jrj s ASN 16 Cb -0.35 -2.05 0.04 0.00 -2.00 0.00 0.00 41.25 36.90 2jrj s ASN 16 CO 0.39 0.02 0.48 0.00 -2.94 0.00 0.00 177.10 175.05 2jrj h PRO 18 N 8.81 0.00 0.00 0.00 0.13 -1.86 0.93 132.00 140.01 2jrj h PRO 18 Ca -0.27 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.83 2jrj h PRO 18 Cb 1.11 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.23 2jrj h PRO 18 CO 0.86 0.00 -0.14 0.82 -0.23 0.00 0.00 178.00 179.31 2jrj h ILE 19 N 0.00 0.82 0.00 -3.56 1.08 -1.95 -3.34 117.51 110.56 2jrj h ILE 19 Ca 0.00 -0.55 0.00 0.00 -0.39 0.00 0.00 64.86 63.92 2jrj h ILE 19 Cb 0.49 1.32 0.00 0.00 -3.07 0.00 0.00 36.82 35.56 2jrj h ILE 19 CO 0.00 0.14 -0.04 0.00 -0.69 0.00 0.00 178.15 177.56 2jrj n LEU 21 N 0.00 -1.53 -4.93 0.00 4.77 0.32 -4.97 117.00 110.66 2jrj n LEU 21 Ca 0.00 0.11 -0.22 0.00 -0.03 0.00 0.00 56.01 55.87 2jrj n LEU 21 Cb 0.52 -2.55 0.00 0.00 -2.33 0.00 0.00 43.42 39.06 2jrj n LEU 21 CO 0.00 -0.23 0.10 -1.61 -1.33 0.00 0.00 177.39 174.33 2jrj s GLU 22 N -4.92 2.40 0.49 3.23 0.41 -1.02 -4.83 118.70 114.47 2jrj s GLU 22 Ca 0.00 -1.71 -0.21 0.00 -0.41 0.00 0.00 54.97 52.64 2jrj s GLU 22 Cb 0.00 -2.36 -0.07 0.00 -1.78 0.00 0.00 34.13 29.91 2jrj s GLU 22 CO 0.00 -0.49 1.10 0.34 -0.49 0.00 0.00 175.26 175.72 2jrj s ASP 23 N -4.31 6.14 -0.02 -0.19 2.15 -1.26 -0.44 116.67 118.74 2jrj s ASP 23 Ca 0.47 2.13 -0.14 0.00 0.43 0.00 0.00 52.55 55.43 2jrj s ASP 23 Cb -0.04 -2.58 0.02 0.00 -0.30 0.00 0.00 42.92 40.02 2jrj s ASP 23 CO 0.28 -0.93 0.30 -0.63 -0.17 0.00 0.00 175.17 174.03 2jrj s ILE 24 N -1.75 0.05 0.13 4.11 1.01 -1.01 -4.68 121.20 119.06 2jrj s ILE 24 Ca 0.67 -0.45 0.10 0.00 0.00 0.00 0.00 60.65 60.98 2jrj s ILE 24 Cb -0.23 -0.59 -0.04 0.00 0.01 0.00 0.00 42.46 41.61 2jrj s ILE 24 CO 0.27 -0.25 -0.26 -1.00 0.00 0.00 0.00 174.94 173.71 2jrj s HIS 25 N -1.20 2.21 0.09 3.97 3.76 -1.26 -3.37 115.29 119.50 2jrj s HIS 25 Ca -0.12 -0.39 0.32 0.00 -0.15 0.00 0.00 55.06 54.72 2jrj s HIS 25 Cb -0.05 -1.20 1.60 0.00 1.11 0.00 0.00 32.58 34.04 2jrj s HIS 25 CO 0.04 0.32 1.96 1.15 -0.85 0.00 0.00 174.74 177.36 2jrj h THR 26 N 3.90 0.00 -2.53 1.30 2.02 -1.93 -3.42 112.91 112.25 2jrj h THR 26 Ca -0.50 -0.13 -0.58 0.00 0.77 0.00 0.00 66.41 65.97 2jrj h THR 26 Cb 1.17 0.92 -0.02 0.00 -1.74 0.00 0.00 68.15 68.48 2jrj h THR 26 CO 0.39 0.00 1.29 -0.44 0.37 0.00 0.00 175.52 177.14 2jrj s SER 27 N -4.73 5.92 0.00 4.18 0.01 -1.26 -4.85 113.70 112.97 2jrj s SER 27 Ca -0.01 1.56 0.19 0.00 1.31 0.00 0.00 55.95 59.00 2jrj s SER 27 Cb 0.09 -2.52 0.82 0.00 0.21 0.00 0.00 66.02 64.62 2jrj s SER 27 CO 0.36 -1.64 1.60 0.54 0.41 0.00 0.00 173.24 174.51 2jrj n ARG 28 N 8.31 0.04 0.09 12.44 1.74 -1.26 -2.60 116.66 135.42 2jrj n ARG 28 Ca 0.23 0.17 -0.04 0.00 -0.77 0.00 0.00 57.85 57.44 2jrj n ARG 28 Cb 0.46 -1.50 0.15 0.00 -1.02 0.00 0.00 32.46 30.54 2jrj n ARG 28 CO 0.00 0.00 0.00 -0.24 -1.52 0.00 0.00 177.63 175.87 2jrj h VAL 29 N 0.00 1.37 0.05 1.55 3.04 -1.95 -3.32 116.25 116.99 2jrj h VAL 29 Ca 0.00 -1.89 -0.36 0.00 -1.01 0.00 0.00 66.70 63.44 2jrj h VAL 29 Cb 0.30 1.94 -0.05 0.00 -2.01 0.00 0.00 31.29 31.48 2jrj h VAL 29 CO 0.00 0.56 -2.11 0.55 -1.01 0.00 0.00 177.57 175.55 2jrj n VAL 30 N -3.90 1.62 -3.98 1.51 3.14 -1.07 -4.93 118.33 110.71 2jrj n VAL 30 Ca -0.02 -0.70 -0.34 0.00 -2.96 0.00 0.00 64.34 60.32 2jrj n VAL 30 Cb 0.59 -1.32 -0.06 0.00 -1.06 0.00 0.00 33.84 31.99 2jrj n VAL 30 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2jrj s ALA 31 N -2.55 3.79 0.12 1.55 0.00 -1.16 -4.74 121.76 118.77 2jrj s ALA 31 Ca -0.20 -0.77 -0.30 0.00 0.00 0.00 0.00 51.96 50.69 2jrj s ALA 31 Cb 0.07 -1.79 -0.07 0.00 0.00 0.00 0.00 23.12 21.33 2jrj s ALA 31 CO 0.75 0.69 1.25 -1.58 0.00 0.00 0.00 175.76 176.87 2jrj s HIS 32 N -1.20 3.38 -0.20 0.00 5.65 0.10 -4.63 115.29 118.39 2jrj s HIS 32 Ca 0.22 1.25 -0.17 0.00 0.25 0.00 0.00 55.06 56.62 2jrj s HIS 32 Cb -0.12 -3.49 -0.04 0.00 -1.18 0.00 0.00 32.58 27.75 2jrj s HIS 32 CO 0.13 -1.54 0.44 0.54 -0.65 0.00 0.00 174.74 173.66 2jrj s VAL 33 N 0.68 5.16 0.46 0.89 0.11 -1.26 -1.93 120.40 124.51 2jrj s VAL 33 Ca 0.58 0.79 -0.17 0.00 -2.93 0.00 0.00 61.98 60.25 2jrj s VAL 33 Cb -0.32 -3.77 -0.09 0.00 -1.53 0.00 0.00 36.38 30.67 2jrj s VAL 33 CO 0.32 0.22 0.93 -0.76 -3.33 0.00 0.00 175.10 172.48 2jrj s LEU 34 N 1.48 3.78 0.00 2.54 1.43 0.62 -4.96 118.68 123.57 2jrj s LEU 34 Ca 0.21 1.53 0.18 0.00 -1.03 0.00 0.00 54.13 55.01 2jrj s LEU 34 Cb -0.15 -4.42 1.01 0.00 0.03 0.00 0.00 46.19 42.65 2jrj s LEU 34 CO 0.09 -0.47 1.51 -0.81 0.23 0.00 0.00 176.35 176.90 2jrj n PRO 35 N -1.18 0.43 -0.28 1.29 -0.04 -1.26 -1.15 135.00 132.81 2jrj n PRO 35 Ca 0.06 0.05 0.10 0.00 -0.04 0.00 0.00 63.50 63.67 2jrj n PRO 35 Cb 0.54 -1.50 0.25 0.00 -0.04 0.00 0.00 33.50 32.75 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 1.23 0.63 3.84 0.00 0.00 -0.30 -5.06 105.19 105.53 2jrj n GLY 37 Ca 0.19 -0.76 -0.25 0.00 0.00 0.00 0.00 46.02 45.20 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 3.23 -0.02 1.61 3.76 -1.24 -4.92 115.29 115.71 2jrj s HIS 38 Ca 0.00 -0.00 0.06 0.00 -0.15 0.00 0.00 55.06 54.97 2jrj s HIS 38 Cb 0.00 -1.53 -0.02 0.00 1.11 0.00 0.00 32.58 32.14 2jrj s HIS 38 CO 0.00 0.51 -0.21 -0.51 -0.85 0.00 0.00 174.74 173.69 2jrj s LEU 39 N -3.30 2.39 -0.11 0.89 1.43 -1.26 -0.27 118.68 118.45 2jrj s LEU 39 Ca 0.32 -0.38 -0.25 0.00 -1.03 0.00 0.00 54.13 52.79 2jrj s LEU 39 Cb -0.10 -1.44 0.06 0.00 0.03 0.00 0.00 46.19 44.74 2jrj s LEU 39 CO 0.25 0.31 0.60 -1.48 0.23 0.00 0.00 176.35 176.27 2jrj s LEU 40 N -0.83 -0.33 0.91 1.79 0.05 -0.81 -4.95 118.68 114.51 2jrj s LEU 40 Ca 0.11 0.81 -0.10 0.00 0.05 0.00 0.00 54.13 55.00 2jrj s LEU 40 Cb -0.10 2.21 0.14 0.00 -2.05 0.00 0.00 46.19 46.39 2jrj s LEU 40 CO 0.01 -0.45 1.15 -1.38 -0.55 0.00 0.00 176.35 175.13 2jrj s HIS 41 N -0.69 1.60 0.16 3.48 0.00 -1.26 0.01 115.29 118.59 2jrj s HIS 41 Ca -0.08 1.80 -0.25 0.00 -3.00 0.00 0.00 55.06 53.53 2jrj s HIS 41 Cb -0.02 -3.37 0.04 0.00 -4.00 0.00 0.00 32.58 25.23 2jrj s HIS 41 CO 0.06 -2.85 1.58 0.00 -1.00 0.00 0.00 174.74 172.54 2jrj h ARG 42 N -1.82 -0.27 -0.12 -0.38 2.47 -1.94 -0.58 114.38 111.74 2jrj h ARG 42 Ca -0.43 0.02 -0.02 0.00 -1.26 0.00 0.00 59.98 58.29 2jrj h ARG 42 Cb 1.27 0.06 -0.00 0.00 -1.65 0.00 0.00 29.97 29.65 2jrj h ARG 42 CO 0.42 -0.18 0.01 1.15 0.56 0.00 0.00 179.97 181.93 2jrj h THR 43 N -0.28 1.24 -0.30 2.04 2.02 -2.01 -2.86 112.91 112.76 2jrj h THR 43 Ca 0.16 -0.75 0.09 0.00 0.77 0.00 0.00 66.41 66.67 2jrj h THR 43 Cb 0.56 1.50 -0.01 0.00 -1.74 0.00 0.00 68.15 68.46 2jrj h THR 43 CO -0.57 0.22 0.25 0.00 0.37 0.00 0.00 175.52 175.78 2jrj h TYR 45 N 0.00 -0.41 -0.44 0.00 3.20 -0.90 -1.89 116.97 116.53 2jrj h TYR 45 Ca 0.14 -0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.94 2jrj h TYR 45 Cb 0.63 0.14 -0.02 0.00 1.54 0.00 0.00 36.73 39.02 2jrj h TYR 45 CO 0.00 -0.25 -0.01 0.93 -1.64 0.00 0.00 178.16 177.19 2jrj h GLU 46 N -0.40 0.73 0.46 1.82 5.08 -0.87 -1.07 114.58 120.32 2jrj h GLU 46 Ca -0.03 -0.19 -0.02 0.00 -1.00 0.00 0.00 59.36 58.12 2jrj h GLU 46 Cb 0.33 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.50 2jrj h GLU 46 CO 0.03 0.75 -0.22 0.93 -1.00 0.00 0.00 179.01 179.51 2jrj h GLU 47 N 0.69 -0.59 -0.39 2.33 5.08 -1.09 0.20 114.58 120.82 2jrj h GLU 47 Ca 0.13 0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.50 2jrj h GLU 47 Cb 0.44 0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.81 2jrj h GLU 47 CO 0.02 -0.35 0.11 1.98 -1.00 0.00 0.00 179.01 179.77 2jrj h MET 48 N -0.70 0.61 -0.37 2.33 4.05 -1.26 -2.53 114.93 117.05 2jrj h MET 48 Ca -0.06 -0.14 -0.05 0.00 -0.28 0.00 0.00 59.70 59.17 2jrj h MET 48 Cb 0.52 -0.08 -0.02 0.00 -0.80 0.00 0.00 31.60 31.21 2jrj h MET 48 CO 0.10 0.63 0.03 1.25 0.23 0.00 0.00 176.91 179.16 2jrj h LEU 49 N 0.48 0.53 -0.34 3.39 5.85 -1.16 0.81 115.31 124.87 2jrj h LEU 49 Ca 0.12 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.75 2jrj h LEU 49 Cb 0.28 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 2jrj h LEU 49 CO -0.00 0.58 0.21 0.50 -0.34 0.00 0.00 178.44 179.39 2jrj h LYS 50 N 0.55 0.46 -0.30 1.25 3.64 -0.28 -2.13 116.57 119.77 2jrj h LYS 50 Ca 0.12 -0.04 -0.09 0.00 -1.27 0.00 0.00 60.65 59.38 2jrj h LYS 50 Cb 0.30 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.01 2jrj h LYS 50 CO 0.01 0.33 -0.20 0.93 -2.27 0.00 0.00 179.45 178.24 2jrj h GLU 51 N 0.45 0.54 -3.67 1.90 4.39 -1.03 -3.47 114.58 113.70 2jrj h GLU 51 Ca 0.12 -0.19 -0.37 0.00 0.34 0.00 0.00 59.36 59.27 2jrj h GLU 51 Cb -0.02 -0.04 0.04 0.00 -0.10 0.00 0.00 28.75 28.63 2jrj h GLU 51 CO -0.02 0.71 -0.53 0.41 -1.16 0.00 0.00 179.01 178.42 2jrj n GLY 52 N -0.44 -0.40 4.01 -3.84 0.00 0.23 -5.00 105.19 99.76 2jrj n GLY 52 Ca 0.00 -0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 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 -3.07 1.83 0.06 1.61 1.13 -1.26 -5.02 117.35 112.63 2jrj s TYR 53 Ca 0.20 -0.46 -0.32 0.00 -1.41 0.00 0.00 57.07 55.08 2jrj s TYR 53 Cb -0.09 -2.54 -0.11 0.00 -1.10 0.00 0.00 41.96 38.13 2jrj s TYR 53 CO 0.25 -1.19 1.86 0.54 -2.51 0.00 0.00 175.55 174.50 2jrj n ARG 54 N -2.38 2.62 -1.50 -3.49 1.74 -1.26 -4.85 116.66 107.54 2jrj n ARG 54 Ca 0.13 0.95 -0.46 0.00 -0.77 0.00 0.00 57.85 57.71 2jrj n ARG 54 Cb 0.61 -2.84 -0.06 0.00 -1.02 0.00 0.00 32.46 29.14 2jrj n ARG 54 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2jrj h PRO 56 N 13.99 0.00 0.00 0.00 0.13 -1.94 -1.04 132.00 143.14 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 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 2jrj h PRO 56 CO 1.04 0.00 0.00 -0.07 -0.23 0.00 0.00 178.00 178.74 2jrj h LEU 57 N 0.00 0.00 -0.79 1.56 4.07 -1.88 0.51 115.31 118.78 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 0.21 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 41.95 2jrj h LEU 57 CO 0.00 0.00 -0.01 0.00 -1.08 0.00 0.00 178.44 177.35 2jrj n MET 59 N -3.11 0.61 -3.61 0.00 2.81 -0.05 -4.94 117.12 108.82 2jrj n MET 59 Ca 0.02 0.38 -0.20 0.00 -1.81 0.00 0.00 57.70 56.08 2jrj n MET 59 Cb 0.41 -1.62 -0.16 0.00 -0.71 0.00 0.00 33.22 31.14 2jrj n MET 59 CO 0.00 0.00 0.00 -1.58 1.51 0.00 0.00 175.97 175.90 2jrj s HIS 60 N -2.46 -0.05 0.00 2.03 5.65 -0.03 -5.15 115.29 115.28 2jrj s HIS 60 Ca -0.33 0.20 0.00 0.00 0.25 0.00 0.00 55.06 55.18 2jrj s HIS 60 Cb 0.10 -0.45 0.00 0.00 -1.18 0.00 0.00 32.58 31.05 2jrj s HIS 60 CO 0.57 -0.39 0.00 0.45 -0.65 0.00 0.00 174.74 174.72