#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 4.96 0.00 -1.84 2.47 -1.26 -4.94 114.94 114.33 2jrj s ASN 11 Ca 0.00 -1.21 0.14 0.00 0.42 0.00 0.00 52.86 52.21 2jrj s ASN 11 Cb 0.00 -1.75 0.13 0.00 -1.45 0.00 0.00 41.25 38.18 2jrj s ASN 11 CO 0.00 -0.27 0.96 1.33 -3.72 0.00 0.00 177.10 175.41 2jrj n VAL 12 N 4.67 0.07 0.17 -5.21 0.24 -1.26 -4.49 118.33 112.51 2jrj n VAL 12 Ca -0.13 -0.53 0.04 0.00 -2.04 0.00 0.00 64.34 61.67 2jrj n VAL 12 Cb 0.44 1.23 0.22 0.00 -1.47 0.00 0.00 33.84 34.26 2jrj n VAL 12 CO 0.00 0.00 0.00 -1.28 -2.14 0.00 0.00 176.83 173.41 2jrj h SER 13 N 2.69 0.00 -1.28 -1.34 0.87 -1.99 -3.46 113.55 109.05 2jrj h SER 13 Ca 0.00 0.00 -0.53 0.00 -1.23 0.00 0.00 61.79 60.03 2jrj h SER 13 Cb 0.59 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.50 2jrj h SER 13 CO 0.00 0.45 -0.38 -1.10 -0.53 0.00 0.00 176.83 175.27 2jrj s GLN 14 N -3.35 2.39 -0.70 2.24 -0.21 -1.26 -5.06 119.66 113.70 2jrj s GLN 14 Ca 0.01 -1.73 -0.23 0.00 0.02 0.00 0.00 55.36 53.44 2jrj s GLN 14 Cb 0.10 -2.22 0.07 0.00 1.00 0.00 0.00 33.01 31.95 2jrj s GLN 14 CO 0.71 -0.30 1.03 -0.65 -2.12 0.00 0.00 175.29 173.96 2jrj s GLN 15 N -4.13 3.18 0.28 2.91 -1.52 -1.24 -4.98 119.66 114.15 2jrj s GLN 15 Ca 0.43 -0.86 -0.28 0.00 -1.95 0.00 0.00 55.36 52.70 2jrj s GLN 15 Cb -0.01 -4.32 -0.09 0.00 -0.22 0.00 0.00 33.01 28.36 2jrj s GLN 15 CO 0.25 -1.86 0.94 -0.80 -0.25 0.00 0.00 175.29 173.57 2jrj s ASN 16 N 3.73 7.51 -0.49 5.90 -0.87 -1.26 -2.85 114.94 126.60 2jrj s ASN 16 Ca 0.25 1.89 -0.29 0.00 -1.57 0.00 0.00 52.86 53.15 2jrj s ASN 16 Cb -0.14 -2.59 0.03 0.00 -0.02 0.00 0.00 41.25 38.52 2jrj s ASN 16 CO 0.08 0.06 1.13 0.00 -2.57 0.00 0.00 177.10 175.80 2jrj n PRO 18 N 7.89 0.54 0.26 0.00 -0.04 -1.26 -0.71 135.00 141.68 2jrj n PRO 18 Ca 0.11 -0.04 0.15 0.00 -0.04 0.00 0.00 63.50 63.68 2jrj n PRO 18 Cb 0.49 -1.50 0.53 0.00 -0.04 0.00 0.00 33.50 32.98 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 0.10 0.04 0.00 0.52 1.08 -1.96 -3.37 117.51 113.93 2jrj h ILE 19 Ca 0.00 -0.69 0.00 0.00 -0.39 0.00 0.00 64.86 63.78 2jrj h ILE 19 Cb 0.27 1.66 0.00 0.00 -3.07 0.00 0.00 36.82 35.68 2jrj h ILE 19 CO 0.00 0.02 0.00 0.00 -0.69 0.00 0.00 178.15 177.48 2jrj n LEU 21 N 0.00 -4.96 -4.03 0.00 4.32 0.11 -5.03 117.00 107.42 2jrj n LEU 21 Ca 0.00 0.15 -0.10 0.00 -0.02 0.00 0.00 56.01 56.04 2jrj n LEU 21 Cb 0.41 -2.42 -0.06 0.00 -1.62 0.00 0.00 43.42 39.74 2jrj n LEU 21 CO 0.00 -1.07 0.13 -0.70 -1.22 0.00 0.00 177.39 174.53 2jrj s GLU 22 N -2.52 1.54 0.13 3.23 -6.30 -0.74 -4.97 118.70 109.08 2jrj s GLU 22 Ca 0.33 -1.33 -0.27 0.00 -2.50 0.00 0.00 54.97 51.20 2jrj s GLU 22 Cb -0.05 0.45 -0.07 0.00 0.00 0.00 0.00 34.13 34.45 2jrj s GLU 22 CO 0.83 -0.63 0.83 0.34 0.02 0.00 0.00 175.26 176.65 2jrj s ASP 23 N -3.05 7.40 -0.03 -1.70 2.15 -1.26 -0.00 116.67 120.18 2jrj s ASP 23 Ca 0.25 1.66 0.01 0.00 0.43 0.00 0.00 52.55 54.90 2jrj s ASP 23 Cb 0.00 -2.52 0.02 0.00 -0.30 0.00 0.00 42.92 40.12 2jrj s ASP 23 CO 0.10 0.10 -0.02 -0.63 -0.17 0.00 0.00 175.17 174.55 2jrj s ILE 24 N -0.64 0.29 0.52 4.11 1.01 -1.13 -4.74 121.20 120.63 2jrj s ILE 24 Ca 0.39 -0.01 0.02 0.00 0.00 0.00 0.00 60.65 61.05 2jrj s ILE 24 Cb -0.23 -0.35 0.00 0.00 0.01 0.00 0.00 42.46 41.89 2jrj s ILE 24 CO 0.27 0.16 0.11 -1.00 0.00 0.00 0.00 174.94 174.47 2jrj s HIS 25 N 0.82 1.78 -0.00 3.97 3.76 -1.26 -3.73 115.29 120.63 2jrj s HIS 25 Ca -0.09 -0.94 0.31 0.00 -0.15 0.00 0.00 55.06 54.19 2jrj s HIS 25 Cb -0.12 -1.68 1.46 0.00 1.11 0.00 0.00 32.58 33.35 2jrj s HIS 25 CO -0.01 0.04 1.92 0.00 -0.85 0.00 0.00 174.74 175.84 2jrj h THR 26 N 1.18 0.00 -0.92 1.30 1.03 -2.01 -3.42 112.91 110.07 2jrj h THR 26 Ca -0.42 -0.20 -0.21 0.00 -0.01 0.00 0.00 66.41 65.57 2jrj h THR 26 Cb 1.31 1.00 0.00 0.00 -1.07 0.00 0.00 68.15 69.40 2jrj h THR 26 CO 0.70 0.00 0.74 -0.44 -0.01 0.00 0.00 175.52 176.51 2jrj s SER 27 N -4.78 4.12 -0.00 0.00 0.01 -1.26 -4.76 113.70 107.01 2jrj s SER 27 Ca -0.00 0.52 0.00 0.00 1.31 0.00 0.00 55.95 57.78 2jrj s SER 27 Cb 0.09 -2.53 0.02 0.00 0.21 0.00 0.00 66.02 63.81 2jrj s SER 27 CO 0.39 -3.45 0.66 0.54 0.41 0.00 0.00 173.24 171.79 2jrj n ARG 28 N 8.91 1.07 -0.10 12.44 1.74 -1.26 -1.96 116.66 137.50 2jrj n ARG 28 Ca 0.42 -0.07 -0.18 0.00 -0.77 0.00 0.00 57.85 57.25 2jrj n ARG 28 Cb 0.48 -1.38 -0.10 0.00 -1.02 0.00 0.00 32.46 30.45 2jrj n ARG 28 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2jrj h VAL 29 N 0.09 0.82 0.17 1.55 2.07 -1.96 -3.41 116.25 115.57 2jrj h VAL 29 Ca 0.00 -1.98 -0.33 0.00 0.82 0.00 0.00 66.70 65.21 2jrj h VAL 29 Cb 0.40 1.91 0.01 0.00 -1.52 0.00 0.00 31.29 32.08 2jrj h VAL 29 CO 0.01 0.28 -1.63 0.58 0.02 0.00 0.00 177.57 176.82 2jrj h VAL 30 N -1.00 1.07 -2.20 2.57 2.07 -1.96 -3.42 116.25 113.38 2jrj h VAL 30 Ca -0.26 -2.65 -0.58 0.00 0.82 0.00 0.00 66.70 64.03 2jrj h VAL 30 Cb 1.13 2.79 -0.10 0.00 -1.52 0.00 0.00 31.29 33.59 2jrj h VAL 30 CO -0.16 0.84 1.02 0.00 0.02 0.00 0.00 177.57 179.29 2jrj s ALA 31 N -2.60 2.85 0.31 1.67 0.00 -0.83 -2.77 121.76 120.39 2jrj s ALA 31 Ca -0.12 -1.70 -0.29 0.00 0.00 0.00 0.00 51.96 49.84 2jrj s ALA 31 Cb 0.06 -4.21 -0.11 0.00 0.00 0.00 0.00 23.12 18.85 2jrj s ALA 31 CO 0.86 -3.23 1.55 -1.58 0.00 0.00 0.00 175.76 173.36 2jrj s HIS 32 N 5.09 2.74 -0.18 0.00 5.65 0.22 -4.39 115.29 124.42 2jrj s HIS 32 Ca 0.34 0.92 -0.20 0.00 0.25 0.00 0.00 55.06 56.37 2jrj s HIS 32 Cb -0.08 -4.03 -0.03 0.00 -1.18 0.00 0.00 32.58 27.26 2jrj s HIS 32 CO 0.08 -3.32 0.60 0.54 -0.65 0.00 0.00 174.74 171.99 2jrj s VAL 33 N -0.32 5.06 0.51 0.89 0.11 -1.26 -1.60 120.40 123.79 2jrj s VAL 33 Ca 0.60 1.13 -0.19 0.00 -2.93 0.00 0.00 61.98 60.60 2jrj s VAL 33 Cb -0.47 -3.92 -0.08 0.00 -1.53 0.00 0.00 36.38 30.39 2jrj s VAL 33 CO 0.52 0.15 1.02 -0.76 -3.33 0.00 0.00 175.10 172.70 2jrj s LEU 34 N 1.65 3.74 0.63 2.54 1.43 0.13 -4.94 118.68 123.86 2jrj s LEU 34 Ca 0.28 1.81 0.32 0.00 -1.03 0.00 0.00 54.13 55.51 2jrj s LEU 34 Cb -0.16 -4.54 1.77 0.00 0.03 0.00 0.00 46.19 43.29 2jrj s LEU 34 CO 0.11 -0.79 2.06 -0.65 0.23 0.00 0.00 176.35 177.31 2jrj h PRO 35 N 1.23 0.00 -0.61 1.29 0.11 -1.97 -0.11 132.00 131.94 2jrj h PRO 35 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2jrj h PRO 35 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2jrj h PRO 35 CO 0.59 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.38 2jrj n GLY 37 N 1.16 0.54 3.95 0.00 0.00 -0.05 -5.05 105.19 105.74 2jrj n GLY 37 Ca 0.20 -0.50 -0.24 0.00 0.00 0.00 0.00 46.02 45.48 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 3.47 -0.02 1.61 3.76 -1.25 -4.88 115.29 115.99 2jrj s HIS 38 Ca 0.00 0.07 0.04 0.00 -0.15 0.00 0.00 55.06 55.02 2jrj s HIS 38 Cb 0.00 -1.63 -0.03 0.00 1.11 0.00 0.00 32.58 32.03 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 -3.48 2.95 -0.24 0.89 1.43 -1.26 0.17 118.68 119.13 2jrj s LEU 39 Ca 0.34 -0.19 -0.25 0.00 -1.03 0.00 0.00 54.13 53.01 2jrj s LEU 39 Cb -0.10 -1.67 0.07 0.00 0.03 0.00 0.00 46.19 44.51 2jrj s LEU 39 CO 0.29 0.31 0.69 -1.48 0.23 0.00 0.00 176.35 176.39 2jrj s LEU 40 N -1.13 -0.64 0.79 1.79 0.05 -0.63 -4.95 118.68 113.97 2jrj s LEU 40 Ca 0.14 1.34 -0.15 0.00 0.05 0.00 0.00 54.13 55.52 2jrj s LEU 40 Cb -0.11 2.38 0.01 0.00 -2.05 0.00 0.00 46.19 46.43 2jrj s LEU 40 CO 0.04 -0.27 0.72 0.00 -0.55 0.00 0.00 176.35 176.29 2jrj n HIS 41 N 2.56 -0.25 -0.12 3.48 -0.00 -1.26 0.70 115.22 120.34 2jrj n HIS 41 Ca -0.14 0.35 -0.03 0.00 -0.00 0.00 0.00 57.72 57.89 2jrj n HIS 41 Cb 0.55 -1.96 -0.03 0.00 -0.00 0.00 0.00 29.99 28.56 2jrj n HIS 41 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 2jrj n ARG 42 N -1.67 -0.12 -0.10 -1.40 5.12 -1.12 -1.12 116.66 116.25 2jrj n ARG 42 Ca 0.11 0.96 -0.03 0.00 -1.93 0.00 0.00 57.85 56.95 2jrj n ARG 42 Cb 0.51 -1.43 0.19 0.00 -1.16 0.00 0.00 32.46 30.57 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 1.23 0.00 0.55 2.02 -1.92 -1.93 112.91 112.86 2jrj h THR 43 Ca 0.04 -0.91 -0.04 0.00 0.77 0.00 0.00 66.41 66.28 2jrj h THR 43 Cb 0.12 0.82 -0.01 0.00 -1.74 0.00 0.00 68.15 67.34 2jrj h THR 43 CO -0.26 0.32 -0.18 0.00 0.37 0.00 0.00 175.52 175.77 2jrj h TYR 45 N 0.00 -0.04 -0.49 0.00 3.20 -0.44 -1.24 116.97 117.96 2jrj h TYR 45 Ca -0.00 0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.79 2jrj h TYR 45 Cb 0.34 0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.63 2jrj h TYR 45 CO 0.00 -0.03 -0.04 0.93 -1.64 0.00 0.00 178.16 177.38 2jrj h GLU 46 N -0.00 0.90 0.25 1.82 5.08 -1.32 -2.12 114.58 119.19 2jrj h GLU 46 Ca 0.04 -0.31 0.00 0.00 -1.00 0.00 0.00 59.36 58.09 2jrj h GLU 46 Cb 0.06 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 2jrj h GLU 46 CO -0.08 0.95 -0.27 0.93 -1.00 0.00 0.00 179.01 179.54 2jrj h GLU 47 N 0.76 -0.55 -0.03 2.33 4.39 -1.00 0.52 114.58 121.00 2jrj h GLU 47 Ca 0.14 0.04 -0.00 0.00 0.34 0.00 0.00 59.36 59.87 2jrj h GLU 47 Cb 0.57 0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 29.34 2jrj h GLU 47 CO 0.03 -0.36 0.02 1.98 -1.16 0.00 0.00 179.01 179.52 2jrj h MET 48 N -0.57 0.04 0.00 2.33 4.05 -1.22 -2.13 114.93 117.43 2jrj h MET 48 Ca -0.00 -0.00 -0.04 0.00 -0.28 0.00 0.00 59.70 59.37 2jrj h MET 48 Cb 0.53 -0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.32 2jrj h MET 48 CO -0.07 0.11 -0.20 1.25 0.23 0.00 0.00 176.91 178.23 2jrj h LEU 49 N -0.04 0.00 -0.17 3.39 5.85 -1.28 0.54 115.31 123.60 2jrj h LEU 49 Ca 0.01 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 2jrj h LEU 49 Cb 0.08 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 2jrj h LEU 49 CO -0.00 0.20 0.06 0.50 -0.34 0.00 0.00 178.44 178.86 2jrj h LYS 50 N 0.00 0.26 0.00 1.25 3.64 0.54 -2.96 116.57 119.30 2jrj h LYS 50 Ca -0.00 -0.05 -0.11 0.00 -1.27 0.00 0.00 60.65 59.22 2jrj h LYS 50 Cb 0.39 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.16 2jrj h LYS 50 CO 0.03 0.35 -0.53 0.93 -2.27 0.00 0.00 179.45 177.95 2jrj h GLU 51 N 0.10 0.00 -1.88 1.90 5.08 -0.88 -3.47 114.58 115.43 2jrj h GLU 51 Ca 0.05 0.00 -0.36 0.00 -1.00 0.00 0.00 59.36 58.05 2jrj h GLU 51 Cb 0.20 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.38 2jrj h GLU 51 CO -0.00 0.53 -0.41 0.41 -1.00 0.00 0.00 179.01 178.54 2jrj n GLY 52 N 0.66 0.49 3.94 -3.84 0.00 0.13 -4.99 105.19 101.59 2jrj n GLY 52 Ca 0.00 -0.14 -0.28 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.80 1.89 0.11 1.61 1.13 -1.26 -5.00 117.35 113.04 2jrj s TYR 53 Ca 0.00 0.22 -0.31 0.00 -1.41 0.00 0.00 57.07 55.58 2jrj s TYR 53 Cb 0.00 -3.66 -0.08 0.00 -1.10 0.00 0.00 41.96 37.13 2jrj s TYR 53 CO 0.00 -2.17 1.34 1.03 -2.51 0.00 0.00 175.55 173.24 2jrj s ARG 54 N -5.59 4.35 -0.29 -3.49 0.52 -1.26 -4.90 118.95 108.29 2jrj s ARG 54 Ca 0.69 2.00 -0.27 0.00 -0.52 0.00 0.00 55.73 57.63 2jrj s ARG 54 Cb -0.06 -3.26 -0.05 0.00 0.52 0.00 0.00 34.95 32.10 2jrj s ARG 54 CO 0.49 -0.37 2.26 0.00 0.02 0.00 0.00 175.30 177.70 2jrj h PRO 56 N 16.22 0.00 0.00 0.00 0.13 -1.93 -1.25 132.00 145.18 2jrj h PRO 56 Ca -0.36 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 2jrj h PRO 56 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2jrj h PRO 56 CO 1.01 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 180.06 2jrj n LEU 57 N -2.80 0.47 0.22 1.56 4.32 -1.26 -0.79 117.00 118.72 2jrj n LEU 57 Ca -0.00 0.62 0.10 0.00 -0.02 0.00 0.00 56.01 56.71 2jrj n LEU 57 Cb 0.19 -0.55 0.38 0.00 -1.62 0.00 0.00 43.42 41.82 2jrj n LEU 57 CO 0.21 -0.47 0.78 0.00 -1.22 0.00 0.00 177.39 176.70 2jrj h MET 59 N 0.00 0.02 -1.88 0.00 -1.53 -1.13 -3.49 114.93 106.92 2jrj h MET 59 Ca -0.00 -0.04 0.20 0.00 -3.44 0.00 0.00 59.70 56.41 2jrj h MET 59 Cb 0.85 0.02 -0.15 0.00 -0.55 0.00 0.00 31.60 31.76 2jrj h MET 59 CO 0.03 1.02 0.66 -3.38 0.14 0.00 0.00 176.91 175.37 2jrj s HIS 60 N -2.29 -0.20 0.00 1.39 0.00 -1.02 -5.17 115.29 108.00 2jrj s HIS 60 Ca -0.22 0.09 0.00 0.00 -3.00 0.00 0.00 55.06 51.92 2jrj s HIS 60 Cb 0.00 0.54 0.00 0.00 -4.00 0.00 0.00 32.58 29.13 2jrj s HIS 60 CO 0.67 -0.41 0.00 -1.13 -1.00 0.00 0.00 174.74 172.87