#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 4.21 0.00 -1.84 4.13 -1.26 -4.75 115.26 115.75 2jrj n ASN 11 Ca 0.00 -2.84 0.00 0.00 1.68 0.00 0.00 54.58 53.42 2jrj n ASN 11 Cb 0.00 -1.69 0.00 0.00 -1.54 0.00 0.00 39.78 36.55 2jrj n ASN 11 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 2jrj n VAL 12 N 6.46 0.00 -3.21 2.41 0.31 -1.26 -4.94 118.33 118.10 2jrj n VAL 12 Ca 0.49 0.46 -0.01 0.00 -0.01 0.00 0.00 64.34 65.27 2jrj n VAL 12 Cb 0.45 -0.97 -0.02 0.00 -0.91 0.00 0.00 33.84 32.39 2jrj n VAL 12 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 2jrj s SER 13 N -1.71 -1.00 0.19 4.52 0.01 -1.26 -5.14 113.70 109.31 2jrj s SER 13 Ca 0.00 -0.16 -0.30 0.00 1.31 0.00 0.00 55.95 56.80 2jrj s SER 13 Cb 0.00 1.74 -0.08 0.00 0.21 0.00 0.00 66.02 67.89 2jrj s SER 13 CO 0.00 -0.29 1.07 -1.10 0.41 0.00 0.00 173.24 173.33 2jrj s GLN 14 N 2.56 4.64 -0.22 12.44 1.11 -1.26 -4.96 119.66 133.96 2jrj s GLN 14 Ca 0.11 1.68 -0.28 0.00 0.01 0.00 0.00 55.36 56.88 2jrj s GLN 14 Cb -0.10 -3.28 -0.04 0.00 -1.01 0.00 0.00 33.01 28.58 2jrj s GLN 14 CO -0.24 0.15 2.07 -0.65 0.01 0.00 0.00 175.29 176.64 2jrj s GLN 15 N -0.55 3.29 0.43 2.91 -1.52 -1.26 -4.88 119.66 118.08 2jrj s GLN 15 Ca 0.48 1.92 -0.19 0.00 -1.95 0.00 0.00 55.36 55.62 2jrj s GLN 15 Cb -0.29 -4.30 -0.10 0.00 -0.22 0.00 0.00 33.01 28.10 2jrj s GLN 15 CO 0.35 -1.92 0.92 0.54 -0.25 0.00 0.00 175.29 174.93 2jrj s ASN 16 N 7.29 6.84 -0.50 5.90 2.20 -1.26 -2.39 114.94 133.03 2jrj s ASN 16 Ca 0.93 1.60 -0.27 0.00 -0.94 0.00 0.00 52.86 54.18 2jrj s ASN 16 Cb -0.31 -2.51 0.03 0.00 -2.00 0.00 0.00 41.25 36.47 2jrj s ASN 16 CO 0.35 -0.39 1.04 0.00 -2.94 0.00 0.00 177.10 175.16 2jrj n PRO 18 N 7.63 0.19 0.23 0.00 -0.04 -1.26 0.96 135.00 142.70 2jrj n PRO 18 Ca 0.08 0.09 0.11 0.00 -0.04 0.00 0.00 63.50 63.74 2jrj n PRO 18 Cb 0.49 -1.50 0.46 0.00 -0.04 0.00 0.00 33.50 32.90 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 0.43 0.00 0.52 1.08 -1.95 -3.38 117.51 114.21 2jrj h ILE 19 Ca 0.00 -1.06 -0.03 0.00 -0.39 0.00 0.00 64.86 63.38 2jrj h ILE 19 Cb 0.28 1.77 -0.03 0.00 -3.07 0.00 0.00 36.82 35.77 2jrj h ILE 19 CO 0.00 0.18 -0.06 0.00 -0.69 0.00 0.00 178.15 177.58 2jrj n LEU 21 N 0.00 -1.55 0.00 0.00 4.32 0.27 -4.97 117.00 115.08 2jrj n LEU 21 Ca -0.06 0.21 -0.22 0.00 -0.02 0.00 0.00 56.01 55.92 2jrj n LEU 21 Cb 0.48 -2.64 0.11 0.00 -1.62 0.00 0.00 43.42 39.75 2jrj n LEU 21 CO -0.03 -0.50 0.52 -0.62 -1.22 0.00 0.00 177.39 175.54 2jrj n GLU 22 N -2.65 -0.01 -3.39 3.23 1.02 -1.03 -4.82 120.64 112.99 2jrj n GLU 22 Ca -0.20 -2.68 -0.32 0.00 -0.02 0.00 0.00 57.16 53.93 2jrj n GLU 22 Cb 0.64 -0.60 -0.05 0.00 -0.02 0.00 0.00 31.44 31.40 2jrj n GLU 22 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2jrj s ASP 23 N -4.90 6.66 -0.01 1.62 2.15 -1.26 0.18 116.67 121.11 2jrj s ASP 23 Ca 0.64 0.96 0.01 0.00 0.43 0.00 0.00 52.55 54.59 2jrj s ASP 23 Cb -0.04 -2.24 0.01 0.00 -0.30 0.00 0.00 42.92 40.34 2jrj s ASP 23 CO 0.42 -0.07 -0.03 -0.63 -0.17 0.00 0.00 175.17 174.69 2jrj s ILE 24 N -1.80 0.29 0.21 4.11 1.01 -1.00 -4.63 121.20 119.38 2jrj s ILE 24 Ca 0.47 -0.11 0.08 0.00 0.00 0.00 0.00 60.65 61.10 2jrj s ILE 24 Cb -0.11 -0.28 -0.04 0.00 0.01 0.00 0.00 42.46 42.04 2jrj s ILE 24 CO 0.21 0.11 -0.01 -2.28 0.00 0.00 0.00 174.94 172.96 2jrj s HIS 25 N 0.21 2.78 0.21 3.97 2.46 -1.26 -3.98 115.29 119.67 2jrj s HIS 25 Ca -0.02 -0.17 0.26 0.00 0.47 0.00 0.00 55.06 55.60 2jrj s HIS 25 Cb -0.05 -1.31 1.42 0.00 -0.13 0.00 0.00 32.58 32.52 2jrj s HIS 25 CO -0.00 0.55 1.78 0.00 -2.47 0.00 0.00 174.74 174.59 2jrj h THR 26 N 2.29 0.00 -0.90 0.89 1.03 -2.02 -3.41 112.91 110.80 2jrj h THR 26 Ca -0.46 0.00 -0.21 0.00 -0.01 0.00 0.00 66.41 65.73 2jrj h THR 26 Cb 1.22 0.58 -0.00 0.00 -1.07 0.00 0.00 68.15 68.88 2jrj h THR 26 CO 0.58 0.00 0.69 -0.55 -0.01 0.00 0.00 175.52 176.24 2jrj s SER 27 N -4.20 4.26 0.21 0.00 0.15 -1.26 -4.75 113.70 108.11 2jrj s SER 27 Ca -0.03 0.33 0.25 0.00 0.70 0.00 0.00 55.95 57.21 2jrj s SER 27 Cb 0.08 -2.53 0.89 0.00 -1.71 0.00 0.00 66.02 62.74 2jrj s SER 27 CO 0.24 -3.37 1.76 -1.14 1.20 0.00 0.00 173.24 171.93 2jrj n ARG 28 N 8.91 0.22 0.26 5.44 0.63 -1.26 -1.27 116.66 129.58 2jrj n ARG 28 Ca 0.41 0.27 0.17 0.00 -0.92 0.00 0.00 57.85 57.78 2jrj n ARG 28 Cb 0.48 -1.80 0.73 0.00 0.45 0.00 0.00 32.46 32.31 2jrj n ARG 28 CO 0.00 0.00 0.00 -0.24 -2.51 0.00 0.00 177.63 174.88 2jrj h VAL 29 N 0.00 0.00 0.00 5.15 3.04 -1.96 -3.29 116.25 119.19 2jrj h VAL 29 Ca 0.00 -0.39 0.00 0.00 -1.01 0.00 0.00 66.70 65.30 2jrj h VAL 29 Cb 0.59 1.33 0.00 0.00 -2.01 0.00 0.00 31.29 31.21 2jrj h VAL 29 CO 0.00 0.00 -0.65 0.52 -1.01 0.00 0.00 177.57 176.43 2jrj n VAL 30 N -2.93 1.02 -2.26 1.51 0.31 -0.84 -4.96 118.33 110.18 2jrj n VAL 30 Ca 0.00 0.26 -0.42 0.00 -0.01 0.00 0.00 64.34 64.17 2jrj n VAL 30 Cb 0.26 -2.09 -0.03 0.00 -0.91 0.00 0.00 33.84 31.07 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 -2.93 3.60 0.27 3.52 0.00 -0.40 -4.57 121.76 121.25 2jrj s ALA 31 Ca -0.19 0.75 -0.29 0.00 0.00 0.00 0.00 51.96 52.23 2jrj s ALA 31 Cb 0.03 -3.62 -0.09 0.00 0.00 0.00 0.00 23.12 19.44 2jrj s ALA 31 CO 0.28 -1.04 1.05 -1.58 0.00 0.00 0.00 175.76 174.47 2jrj s HIS 32 N 2.92 3.69 -0.27 0.00 2.46 0.17 -4.47 115.29 119.79 2jrj s HIS 32 Ca 0.62 1.77 -0.13 0.00 0.47 0.00 0.00 55.06 57.79 2jrj s HIS 32 Cb -0.28 -3.18 -0.04 0.00 -0.13 0.00 0.00 32.58 28.94 2jrj s HIS 32 CO 0.24 -0.23 0.27 0.54 -2.47 0.00 0.00 174.74 173.09 2jrj s VAL 33 N -1.19 5.25 0.60 0.89 0.11 -1.26 -0.86 120.40 123.94 2jrj s VAL 33 Ca 0.44 0.35 -0.20 0.00 -2.93 0.00 0.00 61.98 59.65 2jrj s VAL 33 Cb -0.30 -3.61 -0.03 0.00 -1.53 0.00 0.00 36.38 30.92 2jrj s VAL 33 CO 0.38 0.21 1.30 -0.76 -3.33 0.00 0.00 175.10 172.90 2jrj s LEU 34 N 1.88 3.69 0.65 2.54 1.43 0.25 -4.89 118.68 124.23 2jrj s LEU 34 Ca 0.11 2.64 0.37 0.00 -1.03 0.00 0.00 54.13 56.21 2jrj s LEU 34 Cb -0.16 -4.49 1.99 0.00 0.03 0.00 0.00 46.19 43.57 2jrj s LEU 34 CO 0.10 -1.78 2.12 -0.65 0.23 0.00 0.00 176.35 176.38 2jrj h PRO 35 N 0.95 0.00 -0.02 1.29 0.11 -1.98 0.15 132.00 132.50 2jrj h PRO 35 Ca -0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2jrj h PRO 35 Cb 1.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.43 2jrj h PRO 35 CO 0.55 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.34 2jrj n GLY 37 N 1.15 0.89 3.87 0.00 0.00 0.53 -5.10 105.19 106.53 2jrj n GLY 37 Ca 0.19 -0.19 -0.25 0.00 0.00 0.00 0.00 46.02 45.78 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 3.28 -0.06 1.61 3.76 -1.22 -4.88 115.29 115.78 2jrj s HIS 38 Ca 0.00 0.00 0.03 0.00 -0.15 0.00 0.00 55.06 54.94 2jrj s HIS 38 Cb 0.00 -1.54 -0.03 0.00 1.11 0.00 0.00 32.58 32.12 2jrj s HIS 38 CO 0.00 0.51 -0.12 -0.51 -0.85 0.00 0.00 174.74 173.77 2jrj s LEU 39 N -3.41 2.87 -0.10 0.89 1.43 -1.26 0.84 118.68 119.94 2jrj s LEU 39 Ca 0.33 -0.14 -0.30 0.00 -1.03 0.00 0.00 54.13 52.98 2jrj s LEU 39 Cb -0.10 -1.60 0.09 0.00 0.03 0.00 0.00 46.19 44.61 2jrj s LEU 39 CO 0.26 0.35 0.79 -1.48 0.23 0.00 0.00 176.35 176.49 2jrj s LEU 40 N -0.74 -0.57 0.88 1.79 0.05 -0.04 -4.96 118.68 115.09 2jrj s LEU 40 Ca 0.11 0.68 -0.12 0.00 0.05 0.00 0.00 54.13 54.85 2jrj s LEU 40 Cb -0.11 2.31 0.11 0.00 -2.05 0.00 0.00 46.19 46.46 2jrj s LEU 40 CO 0.01 -0.49 1.07 0.00 -0.55 0.00 0.00 176.35 176.39 2jrj n HIS 41 N 1.01 0.71 0.06 3.48 -0.00 -1.26 0.41 115.22 119.63 2jrj n HIS 41 Ca -0.16 0.38 -0.14 0.00 -0.00 0.00 0.00 57.72 57.80 2jrj n HIS 41 Cb 0.57 -2.01 -0.08 0.00 -0.00 0.00 0.00 29.99 28.47 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 -1.49 -0.59 -0.67 -1.40 2.47 -1.94 -0.28 114.38 110.49 2jrj h ARG 42 Ca -0.44 0.04 0.07 0.00 -1.26 0.00 0.00 59.98 58.39 2jrj h ARG 42 Cb 1.28 0.13 -0.06 0.00 -1.65 0.00 0.00 29.97 29.68 2jrj h ARG 42 CO 0.42 -0.40 0.35 1.15 0.56 0.00 0.00 179.97 182.05 2jrj h THR 43 N -0.62 0.91 -0.16 2.04 2.02 -1.99 -0.02 112.91 115.08 2jrj h THR 43 Ca 0.04 -0.21 -0.03 0.00 0.77 0.00 0.00 66.41 66.97 2jrj h THR 43 Cb 0.68 0.23 -0.01 0.00 -1.74 0.00 0.00 68.15 67.32 2jrj h THR 43 CO -0.33 0.11 -0.02 0.00 0.37 0.00 0.00 175.52 175.65 2jrj h TYR 45 N 0.23 0.29 0.13 0.00 3.20 0.70 0.34 116.97 121.86 2jrj h TYR 45 Ca 0.05 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.90 2jrj h TYR 45 Cb 0.20 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.38 2jrj h TYR 45 CO 0.00 0.30 -0.06 0.93 -1.64 0.00 0.00 178.16 177.69 2jrj h GLU 46 N 0.20 -0.17 -0.60 1.82 5.08 -0.53 -0.45 114.58 119.93 2jrj h GLU 46 Ca 0.07 0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.40 2jrj h GLU 46 Cb 0.12 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.38 2jrj h GLU 46 CO -0.01 -0.01 0.22 0.93 -1.00 0.00 0.00 179.01 179.14 2jrj h GLU 47 N -0.29 0.88 0.08 2.33 4.39 -1.04 0.56 114.58 121.49 2jrj h GLU 47 Ca -0.02 -0.15 -0.00 0.00 0.34 0.00 0.00 59.36 59.53 2jrj h GLU 47 Cb 0.24 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 28.74 2jrj h GLU 47 CO 0.03 0.73 -0.04 1.98 -1.16 0.00 0.00 179.01 180.55 2jrj h MET 48 N 0.86 -0.11 0.00 2.33 4.05 -0.81 -2.88 114.93 118.37 2jrj h MET 48 Ca 0.20 0.01 -0.06 0.00 -0.28 0.00 0.00 59.70 59.57 2jrj h MET 48 Cb 0.19 0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.01 2jrj h MET 48 CO -0.02 0.27 -0.28 1.25 0.23 0.00 0.00 176.91 178.36 2jrj h LEU 49 N -0.51 0.00 -0.07 3.39 5.85 -0.86 0.21 115.31 123.32 2jrj h LEU 49 Ca -0.01 0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.73 2jrj h LEU 49 Cb 0.43 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.43 2jrj h LEU 49 CO 0.02 0.28 -0.06 0.50 -0.34 0.00 0.00 178.44 178.84 2jrj h LYS 50 N 0.00 -0.07 0.07 1.25 3.64 0.22 -2.82 116.57 118.86 2jrj h LYS 50 Ca -0.00 0.00 -0.24 0.00 -1.27 0.00 0.00 60.65 59.14 2jrj h LYS 50 Cb 0.55 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.37 2jrj h LYS 50 CO 0.04 -0.05 -1.13 0.93 -2.27 0.00 0.00 179.45 176.97 2jrj h GLU 51 N -0.07 0.15 -3.50 1.90 4.39 -1.28 -3.48 114.58 112.68 2jrj h GLU 51 Ca 0.05 -0.26 -0.38 0.00 0.34 0.00 0.00 59.36 59.12 2jrj h GLU 51 Cb 0.15 0.09 0.02 0.00 -0.10 0.00 0.00 28.75 28.91 2jrj h GLU 51 CO -0.12 1.12 -0.53 0.41 -1.16 0.00 0.00 179.01 178.74 2jrj n GLY 52 N 1.44 -0.42 2.29 -3.84 0.00 0.71 -5.00 105.19 100.37 2jrj n GLY 52 Ca -0.05 -0.01 -0.18 0.00 0.00 0.00 0.00 46.02 45.79 2jrj n GLY 52 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 2jrj n TYR 53 N -4.24 -3.89 -2.31 1.61 4.11 -1.26 -4.97 117.16 106.21 2jrj n TYR 53 Ca -0.16 -0.69 -0.42 0.00 -0.00 0.00 0.00 57.90 56.63 2jrj n TYR 53 Cb 0.64 -0.64 -0.03 0.00 -0.00 0.00 0.00 39.34 39.32 2jrj n TYR 53 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.86 177.89 2jrj s ARG 54 N -4.70 4.26 -0.32 -3.48 3.00 -1.26 -4.92 118.95 111.53 2jrj s ARG 54 Ca 0.45 1.83 -0.28 0.00 0.00 0.00 0.00 55.73 57.73 2jrj s ARG 54 Cb -0.02 -3.71 -0.05 0.00 0.00 0.00 0.00 34.95 31.17 2jrj s ARG 54 CO 0.32 -0.65 2.18 0.00 0.00 0.00 0.00 175.30 177.16 2jrj h PRO 56 N 15.77 0.00 0.00 0.00 0.13 -1.91 -1.03 132.00 144.96 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 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2jrj h PRO 56 CO 1.03 0.00 0.00 -0.07 -0.23 0.00 0.00 178.00 178.73 2jrj h LEU 57 N 0.00 0.00 -0.39 1.56 4.07 -1.87 0.47 115.31 119.14 2jrj h LEU 57 Ca 0.01 0.00 -0.18 0.00 0.08 0.00 0.00 57.88 57.78 2jrj h LEU 57 Cb 0.03 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.76 2jrj h LEU 57 CO -0.00 0.00 -0.79 0.00 -1.08 0.00 0.00 178.44 176.57 2jrj n MET 59 N -3.73 0.96 -3.72 0.00 0.00 0.08 -5.04 117.12 105.66 2jrj n MET 59 Ca -0.03 -0.07 -0.13 0.00 -0.00 0.00 0.00 57.70 57.46 2jrj n MET 59 Cb 0.75 -1.26 -0.08 0.00 0.00 0.00 0.00 33.22 32.63 2jrj n MET 59 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 175.97 174.39 2jrj s HIS 60 N -2.61 -0.24 -1.22 1.12 5.65 0.14 -5.14 115.29 113.00 2jrj s HIS 60 Ca -0.04 0.31 0.10 0.00 0.25 0.00 0.00 55.06 55.67 2jrj s HIS 60 Cb 0.06 0.15 0.08 0.00 -1.18 0.00 0.00 32.58 31.69 2jrj s HIS 60 CO 0.45 -0.46 0.81 0.45 -0.65 0.00 0.00 174.74 175.33