#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 2.75 -4.60 4.31 4.13 -1.26 -4.85 115.26 115.75 2jrj n ASN 11 Ca 0.00 0.60 -0.43 0.00 1.68 0.00 0.00 54.58 56.43 2jrj n ASN 11 Cb 0.00 -1.34 -0.03 0.00 -1.54 0.00 0.00 39.78 36.88 2jrj n ASN 11 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 2jrj s VAL 12 N 6.20 3.16 -1.22 2.41 1.01 -1.26 -4.88 120.40 125.82 2jrj s VAL 12 Ca 1.02 0.16 -0.06 0.00 0.00 0.00 0.00 61.98 63.10 2jrj s VAL 12 Cb -0.73 -3.21 0.20 0.00 0.00 0.00 0.00 36.38 32.64 2jrj s VAL 12 CO 0.49 -0.13 1.90 -1.20 0.00 0.00 0.00 175.10 176.16 2jrj n SER 13 N 11.13 6.32 -3.54 3.32 7.64 -1.26 -4.89 113.62 132.35 2jrj n SER 13 Ca 0.27 -3.25 -0.17 0.00 1.01 0.00 0.00 58.87 56.74 2jrj n SER 13 Cb 0.45 -1.37 -0.06 0.00 -1.01 0.00 0.00 64.21 62.22 2jrj n SER 13 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 2jrj s GLN 14 N -1.18 0.98 0.60 1.43 2.00 -1.26 -5.10 119.66 117.13 2jrj s GLN 14 Ca 0.41 0.30 -0.04 0.00 -2.00 0.00 0.00 55.36 54.03 2jrj s GLN 14 Cb 0.12 0.46 0.03 0.00 0.80 0.00 0.00 33.01 34.42 2jrj s GLN 14 CO -0.01 -0.29 0.88 -1.14 -0.50 0.00 0.00 175.29 174.23 2jrj s GLN 15 N -1.06 2.67 0.09 1.67 0.74 -1.24 -5.05 119.66 117.48 2jrj s GLN 15 Ca -0.09 -0.28 -0.05 0.00 0.05 0.00 0.00 55.36 54.99 2jrj s GLN 15 Cb -0.00 -2.32 -0.02 0.00 1.10 0.00 0.00 33.01 31.76 2jrj s GLN 15 CO 0.08 -0.79 0.11 0.54 -0.55 0.00 0.00 175.29 174.67 2jrj s ASN 16 N -4.37 0.26 -0.40 6.67 4.22 -1.26 -3.05 114.94 117.01 2jrj s ASN 16 Ca 0.55 -0.89 -0.16 0.00 -2.14 0.00 0.00 52.86 50.22 2jrj s ASN 16 Cb -0.10 0.30 0.01 0.00 1.28 0.00 0.00 41.25 42.74 2jrj s ASN 16 CO 0.43 -0.71 0.38 0.00 -2.04 0.00 0.00 177.10 175.16 2jrj n PRO 18 N 5.44 0.12 -0.19 0.00 -0.04 -1.26 -0.59 135.00 138.47 2jrj n PRO 18 Ca -0.09 0.16 -0.06 0.00 -0.04 0.00 0.00 63.50 63.47 2jrj n PRO 18 Cb 0.48 -1.66 0.03 0.00 -0.04 0.00 0.00 33.50 32.31 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 1.14 0.00 0.52 1.08 -1.94 -3.29 117.51 115.02 2jrj h ILE 19 Ca 0.00 -0.26 0.00 0.00 -0.39 0.00 0.00 64.86 64.21 2jrj h ILE 19 Cb 0.54 0.32 0.00 0.00 -3.07 0.00 0.00 36.82 34.61 2jrj h ILE 19 CO 0.00 0.14 -0.17 0.00 -0.69 0.00 0.00 178.15 177.43 2jrj n LEU 21 N -0.41 -5.12 0.00 0.00 4.77 -0.54 -5.02 117.00 110.67 2jrj n LEU 21 Ca 0.04 -0.26 -0.11 0.00 -0.03 0.00 0.00 56.01 55.65 2jrj n LEU 21 Cb 0.56 -2.68 -0.03 0.00 -2.33 0.00 0.00 43.42 38.94 2jrj n LEU 21 CO 0.00 -0.75 0.06 1.21 -1.33 0.00 0.00 177.39 176.58 2jrj n GLU 22 N -1.68 0.42 -2.81 3.23 2.13 0.24 -4.98 120.64 117.18 2jrj n GLU 22 Ca -0.09 -1.98 -0.29 0.00 0.66 0.00 0.00 57.16 55.46 2jrj n GLU 22 Cb 0.57 1.81 -0.02 0.00 0.27 0.00 0.00 31.44 34.07 2jrj n GLU 22 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 2jrj s ASP 23 N -2.48 6.44 -0.26 4.31 2.15 -1.26 0.21 116.67 125.77 2jrj s ASP 23 Ca 0.22 1.05 -0.01 0.00 0.43 0.00 0.00 52.55 54.23 2jrj s ASP 23 Cb -0.00 -2.29 0.13 0.00 -0.30 0.00 0.00 42.92 40.46 2jrj s ASP 23 CO 0.15 -0.44 0.32 -0.63 -0.17 0.00 0.00 175.17 174.40 2jrj s ILE 24 N -2.47 -0.49 0.19 4.11 1.01 -1.17 -4.19 121.20 118.19 2jrj s ILE 24 Ca 0.50 -0.25 -0.30 0.00 0.00 0.00 0.00 60.65 60.59 2jrj s ILE 24 Cb -0.10 -0.87 -0.08 0.00 0.01 0.00 0.00 42.46 41.42 2jrj s ILE 24 CO 0.35 -0.28 1.07 -1.38 0.00 0.00 0.00 174.94 174.71 2jrj s HIS 25 N 2.44 3.64 0.36 3.97 -3.43 -1.26 -3.66 115.29 117.36 2jrj s HIS 25 Ca 0.10 1.66 0.22 0.00 -0.80 0.00 0.00 55.06 56.24 2jrj s HIS 25 Cb -0.14 -3.23 1.21 0.00 -1.43 0.00 0.00 32.58 28.98 2jrj s HIS 25 CO -0.23 -0.44 1.64 1.15 -2.00 0.00 0.00 174.74 174.86 2jrj h THR 26 N 3.61 0.00 -1.14 -5.38 2.02 -1.99 -3.42 112.91 106.61 2jrj h THR 26 Ca -0.45 0.00 -0.59 0.00 0.77 0.00 0.00 66.41 66.14 2jrj h THR 26 Cb 1.21 0.49 -0.02 0.00 -1.74 0.00 0.00 68.15 68.09 2jrj h THR 26 CO 0.71 0.00 1.52 -1.20 0.37 0.00 0.00 175.52 176.92 2jrj n SER 27 N -2.51 2.03 0.28 4.18 7.64 -1.26 -4.80 113.62 119.18 2jrj n SER 27 Ca -0.01 0.15 0.15 0.00 1.01 0.00 0.00 58.87 60.16 2jrj n SER 27 Cb 0.35 -1.32 0.85 0.00 -1.01 0.00 0.00 64.21 63.09 2jrj n SER 27 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 2jrj h ARG 28 N 14.23 0.00 -0.67 1.43 2.43 -1.82 -1.35 114.38 128.62 2jrj h ARG 28 Ca -0.25 0.00 0.18 0.00 -0.81 0.00 0.00 59.98 59.11 2jrj h ARG 28 Cb 1.30 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.82 2jrj h ARG 28 CO 1.09 0.06 0.48 0.28 -1.51 0.00 0.00 179.97 180.37 2jrj h VAL 29 N 0.00 0.69 0.00 0.20 2.07 -1.95 -3.07 116.25 114.19 2jrj h VAL 29 Ca -0.00 -0.02 -0.31 0.00 0.82 0.00 0.00 66.70 67.19 2jrj h VAL 29 Cb 0.17 0.62 -0.05 0.00 -1.52 0.00 0.00 31.29 30.52 2jrj h VAL 29 CO 0.01 0.01 -2.06 0.52 0.02 0.00 0.00 177.57 176.07 2jrj n VAL 30 N -4.36 1.04 -2.56 2.57 0.31 -0.78 -4.91 118.33 109.63 2jrj n VAL 30 Ca 0.13 -0.30 -0.42 0.00 -0.01 0.00 0.00 64.34 63.73 2jrj n VAL 30 Cb 0.70 -1.58 -0.02 0.00 -0.91 0.00 0.00 33.84 32.03 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 -2.35 3.02 0.22 3.52 0.00 -0.58 -4.03 121.76 121.55 2jrj s ALA 31 Ca -0.26 -0.72 -0.30 0.00 0.00 0.00 0.00 51.96 50.68 2jrj s ALA 31 Cb 0.09 -4.01 -0.09 0.00 0.00 0.00 0.00 23.12 19.11 2jrj s ALA 31 CO 0.36 -2.59 1.32 -1.58 0.00 0.00 0.00 175.76 173.26 2jrj s HIS 32 N 4.96 3.23 -0.35 0.00 2.46 0.14 -4.46 115.29 121.27 2jrj s HIS 32 Ca 0.45 1.23 -0.23 0.00 0.47 0.00 0.00 55.06 56.98 2jrj s HIS 32 Cb -0.08 -3.62 0.01 0.00 -0.13 0.00 0.00 32.58 28.76 2jrj s HIS 32 CO 0.27 -1.93 0.79 0.08 -2.47 0.00 0.00 174.74 171.48 2jrj s VAL 33 N -0.02 4.75 0.47 0.89 1.01 -1.26 -1.79 120.40 124.44 2jrj s VAL 33 Ca 0.56 0.97 -0.22 0.00 0.00 0.00 0.00 61.98 63.29 2jrj s VAL 33 Cb -0.37 -4.19 -0.08 0.00 0.00 0.00 0.00 36.38 31.74 2jrj s VAL 33 CO 0.40 -0.38 1.11 -0.76 0.00 0.00 0.00 175.10 175.46 2jrj s LEU 34 N 3.06 3.95 0.60 3.92 1.43 0.12 -4.93 118.68 126.83 2jrj s LEU 34 Ca 0.32 2.14 0.30 0.00 -1.03 0.00 0.00 54.13 55.86 2jrj s LEU 34 Cb -0.13 -4.37 1.66 0.00 0.03 0.00 0.00 46.19 43.38 2jrj s LEU 34 CO 0.16 -0.86 2.05 -0.65 0.23 0.00 0.00 176.35 177.28 2jrj h PRO 35 N 1.86 0.00 -0.20 1.29 0.11 -1.97 0.10 132.00 133.20 2jrj h PRO 35 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2jrj h PRO 35 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 2jrj h PRO 35 CO 0.60 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.39 2jrj n GLY 37 N 1.07 0.83 3.87 0.00 0.00 0.35 -5.08 105.19 106.24 2jrj n GLY 37 Ca 0.14 -0.55 -0.26 0.00 0.00 0.00 0.00 46.02 45.36 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 3.31 -0.07 1.61 3.76 -1.22 -4.90 115.29 115.78 2jrj s HIS 38 Ca 0.00 0.03 0.04 0.00 -0.15 0.00 0.00 55.06 54.98 2jrj s HIS 38 Cb 0.00 -1.57 -0.02 0.00 1.11 0.00 0.00 32.58 32.10 2jrj s HIS 38 CO 0.00 0.51 -0.17 -0.51 -0.85 0.00 0.00 174.74 173.72 2jrj s LEU 39 N -3.27 2.55 -0.13 0.89 1.43 -1.26 0.12 118.68 119.01 2jrj s LEU 39 Ca 0.33 -0.31 -0.29 0.00 -1.03 0.00 0.00 54.13 52.83 2jrj s LEU 39 Cb -0.10 -1.51 0.07 0.00 0.03 0.00 0.00 46.19 44.67 2jrj s LEU 39 CO 0.26 0.29 0.70 -1.48 0.23 0.00 0.00 176.35 176.35 2jrj s LEU 40 N -0.38 -0.68 0.86 1.79 0.05 -0.74 -4.91 118.68 114.66 2jrj s LEU 40 Ca 0.04 0.97 -0.12 0.00 0.05 0.00 0.00 54.13 55.07 2jrj s LEU 40 Cb -0.12 2.49 0.10 0.00 -2.05 0.00 0.00 46.19 46.61 2jrj s LEU 40 CO 0.02 -0.47 1.09 0.00 -0.55 0.00 0.00 176.35 176.43 2jrj n HIS 41 N 1.55 0.80 -0.12 3.48 -0.00 -1.26 0.28 115.22 119.94 2jrj n HIS 41 Ca -0.17 0.39 -0.12 0.00 -0.00 0.00 0.00 57.72 57.82 2jrj n HIS 41 Cb 0.56 -2.03 -0.07 0.00 -0.00 0.00 0.00 29.99 28.45 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 -1.31 -0.36 -0.27 -1.40 2.47 -1.97 0.59 114.38 112.14 2jrj h ARG 42 Ca -0.45 0.02 0.03 0.00 -1.26 0.00 0.00 59.98 58.33 2jrj h ARG 42 Cb 1.29 0.08 -0.03 0.00 -1.65 0.00 0.00 29.97 29.66 2jrj h ARG 42 CO 0.43 -0.24 0.09 1.15 0.56 0.00 0.00 179.97 181.96 2jrj h THR 43 N -0.38 0.92 0.00 2.04 2.02 -1.96 -1.34 112.91 114.22 2jrj h THR 43 Ca 0.10 -0.07 -0.01 0.00 0.77 0.00 0.00 66.41 67.20 2jrj h THR 43 Cb 0.60 0.69 -0.00 0.00 -1.74 0.00 0.00 68.15 67.70 2jrj h THR 43 CO -0.58 0.04 -0.04 0.00 0.37 0.00 0.00 175.52 175.31 2jrj h TYR 45 N 0.00 -0.50 -0.16 0.00 3.20 0.22 -2.83 116.97 116.90 2jrj h TYR 45 Ca -0.00 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.85 2jrj h TYR 45 Cb 0.08 0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.51 2jrj h TYR 45 CO 0.00 -0.19 0.09 0.93 -1.64 0.00 0.00 178.16 177.35 2jrj h GLU 46 N -0.80 0.23 -0.46 1.82 5.08 -0.97 -1.82 114.58 117.65 2jrj h GLU 46 Ca -0.05 -0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.29 2jrj h GLU 46 Cb 0.53 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.71 2jrj h GLU 46 CO 0.09 0.23 0.30 0.93 -1.00 0.00 0.00 179.01 179.56 2jrj h GLU 47 N 0.17 0.59 -0.32 2.33 4.39 -1.46 0.67 114.58 120.95 2jrj h GLU 47 Ca 0.06 -0.04 -0.05 0.00 0.34 0.00 0.00 59.36 59.68 2jrj h GLU 47 Cb 0.06 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.57 2jrj h GLU 47 CO -0.01 0.39 0.02 1.98 -1.16 0.00 0.00 179.01 180.23 2jrj h MET 48 N 0.61 0.55 0.00 2.33 4.05 -1.42 -2.37 114.93 118.68 2jrj h MET 48 Ca 0.17 -0.17 -0.08 0.00 -0.28 0.00 0.00 59.70 59.35 2jrj h MET 48 Cb -0.05 -0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 30.69 2jrj h MET 48 CO -0.05 0.67 -0.36 1.25 0.23 0.00 0.00 176.91 178.65 2jrj h LEU 49 N 0.36 0.00 -0.89 3.39 5.85 -0.97 0.37 115.31 123.42 2jrj h LEU 49 Ca 0.09 0.00 -0.11 0.00 0.84 0.00 0.00 57.88 58.71 2jrj h LEU 49 Cb 0.41 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 2jrj h LEU 49 CO 0.01 0.36 -0.35 0.50 -0.34 0.00 0.00 178.44 178.62 2jrj h LYS 50 N 0.00 0.39 0.10 1.25 3.11 0.64 -3.15 116.57 118.90 2jrj h LYS 50 Ca -0.00 -0.17 -0.00 0.00 -2.81 0.00 0.00 60.65 57.66 2jrj h LYS 50 Cb 0.72 -0.01 0.00 0.00 -1.00 0.00 0.00 32.23 31.94 2jrj h LYS 50 CO 0.05 0.69 -0.05 0.93 -2.81 0.00 0.00 179.45 178.26 2jrj h GLU 51 N 0.33 -0.12 0.00 1.90 4.39 -1.02 -3.49 114.58 116.57 2jrj h GLU 51 Ca 0.04 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.75 2jrj h GLU 51 Cb 0.78 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.46 2jrj h GLU 51 CO 0.06 0.24 0.00 0.41 -1.16 0.00 0.00 179.01 178.56 2jrj n GLY 52 N 1.24 0.75 3.79 -3.84 0.00 0.09 -5.08 105.19 102.13 2jrj n GLY 52 Ca -0.05 -0.23 -0.29 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.00 1.90 0.13 1.61 1.13 -1.26 -4.94 117.35 113.91 2jrj s TYR 53 Ca 0.00 0.64 -0.33 0.00 -1.41 0.00 0.00 57.07 55.97 2jrj s TYR 53 Cb 0.00 -3.59 -0.13 0.00 -1.10 0.00 0.00 41.96 37.15 2jrj s TYR 53 CO 0.00 -2.72 1.68 0.54 -2.51 0.00 0.00 175.55 172.54 2jrj n ARG 54 N -3.95 2.35 -1.50 -3.49 5.12 -1.26 -4.83 116.66 109.11 2jrj n ARG 54 Ca 0.10 0.85 -0.47 0.00 -1.93 0.00 0.00 57.85 56.40 2jrj n ARG 54 Cb 0.59 -2.66 -0.06 0.00 -1.16 0.00 0.00 32.46 29.18 2jrj n ARG 54 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2jrj h PRO 56 N 13.56 0.00 0.00 0.00 0.13 -1.93 -1.44 132.00 142.32 2jrj h PRO 56 Ca -0.32 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 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 1.01 0.02 0.00 -0.07 -0.23 0.00 0.00 178.00 178.73 2jrj h LEU 57 N 0.00 0.00 -0.48 1.56 4.07 -1.88 0.63 115.31 119.21 2jrj h LEU 57 Ca -0.00 0.00 -0.17 0.00 0.08 0.00 0.00 57.88 57.79 2jrj h LEU 57 Cb 0.06 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.78 2jrj h LEU 57 CO 0.00 0.00 -0.73 0.00 -1.08 0.00 0.00 178.44 176.63 2jrj n MET 59 N -3.77 0.83 -4.24 0.00 2.81 -0.27 -4.99 117.12 107.49 2jrj n MET 59 Ca -0.03 -0.09 -0.19 0.00 -1.81 0.00 0.00 57.70 55.58 2jrj n MET 59 Cb 0.71 -1.23 -0.15 0.00 -0.71 0.00 0.00 33.22 31.83 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 -2.68 0.73 0.00 2.03 3.76 0.20 -5.14 115.29 114.20 2jrj s HIS 60 Ca -0.03 -0.18 0.00 0.00 -0.15 0.00 0.00 55.06 54.71 2jrj s HIS 60 Cb 0.08 -0.56 0.00 0.00 1.11 0.00 0.00 32.58 33.20 2jrj s HIS 60 CO 0.48 -0.10 0.00 -1.13 -0.85 0.00 0.00 174.74 173.13