#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 -0.14 -1.00 4.31 4.22 -1.26 -5.09 114.94 115.98 2jrj s ASN 11 Ca 0.00 0.21 -0.23 0.00 -2.14 0.00 0.00 52.86 50.70 2jrj s ASN 11 Cb 0.00 1.10 0.02 0.00 1.28 0.00 0.00 41.25 43.65 2jrj s ASN 11 CO 0.00 -0.03 1.62 -0.69 -2.04 0.00 0.00 177.10 175.96 2jrj s VAL 12 N 1.44 3.78 -0.30 3.54 1.01 -1.26 -4.83 120.40 123.78 2jrj s VAL 12 Ca -0.05 -0.69 -0.13 0.00 0.00 0.00 0.00 61.98 61.10 2jrj s VAL 12 Cb -0.02 -4.74 0.16 0.00 0.00 0.00 0.00 36.38 31.78 2jrj s VAL 12 CO -0.13 -1.62 0.92 -0.94 0.00 0.00 0.00 175.10 173.33 2jrj s SER 13 N 5.90 -0.70 0.15 3.32 1.04 -1.26 -5.04 113.70 117.12 2jrj s SER 13 Ca 0.54 0.88 -0.13 0.00 0.48 0.00 0.00 55.95 57.72 2jrj s SER 13 Cb -0.02 1.76 0.03 0.00 0.10 0.00 0.00 66.02 67.90 2jrj s SER 13 CO -0.06 -0.13 1.68 1.56 0.98 0.00 0.00 173.24 177.26 2jrj h GLN 14 N 7.64 0.79 -4.25 4.02 7.50 -1.88 -3.45 115.11 125.48 2jrj h GLN 14 Ca -0.16 -0.17 -0.15 0.00 0.50 0.00 0.00 58.65 58.66 2jrj h GLN 14 Cb 1.12 -0.11 -0.14 0.00 0.05 0.00 0.00 27.48 28.39 2jrj h GLN 14 CO 0.08 0.74 -0.58 -0.65 -1.50 0.00 0.00 178.83 176.92 2jrj s GLN 15 N -5.39 0.91 0.04 1.46 -1.52 -1.03 -5.06 119.66 109.06 2jrj s GLN 15 Ca -0.13 -1.32 0.02 0.00 -1.95 0.00 0.00 55.36 51.98 2jrj s GLN 15 Cb 0.12 0.27 -0.02 0.00 -0.22 0.00 0.00 33.01 33.15 2jrj s GLN 15 CO 0.79 -0.26 -0.07 0.54 -0.25 0.00 0.00 175.29 176.03 2jrj s ASN 16 N -3.00 0.77 -0.41 5.90 4.22 -1.26 -2.86 114.94 118.30 2jrj s ASN 16 Ca 0.19 -0.57 -0.17 0.00 -2.14 0.00 0.00 52.86 50.17 2jrj s ASN 16 Cb 0.07 0.05 0.02 0.00 1.28 0.00 0.00 41.25 42.66 2jrj s ASN 16 CO -0.01 -0.23 0.43 0.00 -2.04 0.00 0.00 177.10 175.24 2jrj h PRO 18 N 8.70 0.00 0.00 0.00 0.13 -1.95 0.91 132.00 139.79 2jrj h PRO 18 Ca -0.27 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.84 2jrj h PRO 18 Cb 1.11 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.24 2jrj h PRO 18 CO 0.79 0.04 -0.10 0.82 -0.23 0.00 0.00 178.00 179.31 2jrj h ILE 19 N 0.00 0.62 0.00 -3.56 1.08 -1.95 -3.35 117.51 110.35 2jrj h ILE 19 Ca -0.00 -0.43 -0.05 0.00 -0.39 0.00 0.00 64.86 63.99 2jrj h ILE 19 Cb 0.46 1.27 -0.05 0.00 -3.07 0.00 0.00 36.82 35.43 2jrj h ILE 19 CO 0.00 0.10 -0.11 0.00 -0.69 0.00 0.00 178.15 177.46 2jrj n LEU 21 N 0.00 -1.19 -4.95 0.00 4.77 0.31 -4.94 117.00 111.00 2jrj n LEU 21 Ca -0.10 0.33 -0.24 0.00 -0.03 0.00 0.00 56.01 55.97 2jrj n LEU 21 Cb 0.46 -2.30 0.00 0.00 -2.33 0.00 0.00 43.42 39.25 2jrj n LEU 21 CO -0.05 -0.69 0.26 -1.61 -1.33 0.00 0.00 177.39 173.97 2jrj s GLU 22 N -3.65 3.25 0.66 3.23 0.41 -1.14 -4.76 118.70 116.69 2jrj s GLU 22 Ca 0.00 -0.38 -0.17 0.00 -0.41 0.00 0.00 54.97 54.01 2jrj s GLU 22 Cb 0.00 -2.58 -0.00 0.00 -1.78 0.00 0.00 34.13 29.77 2jrj s GLU 22 CO 0.00 -0.12 1.23 0.34 -0.49 0.00 0.00 175.26 176.22 2jrj s ASP 23 N -4.15 4.65 -0.14 -0.19 2.15 -1.26 -0.08 116.67 117.66 2jrj s ASP 23 Ca 0.45 2.43 -0.06 0.00 0.43 0.00 0.00 52.55 55.81 2jrj s ASP 23 Cb -0.10 -2.60 0.06 0.00 -0.30 0.00 0.00 42.92 39.99 2jrj s ASP 23 CO 0.38 -1.96 0.31 -0.63 -0.17 0.00 0.00 175.17 173.10 2jrj s ILE 24 N -1.70 -0.30 0.45 4.11 1.01 -1.13 -4.60 121.20 119.03 2jrj s ILE 24 Ca 0.77 0.20 0.08 0.00 0.00 0.00 0.00 60.65 61.70 2jrj s ILE 24 Cb -0.32 -0.50 0.00 0.00 0.01 0.00 0.00 42.46 41.66 2jrj s ILE 24 CO 0.40 0.08 0.47 -1.00 0.00 0.00 0.00 174.94 174.88 2jrj s HIS 25 N 2.00 2.45 -0.09 3.97 3.76 -1.26 -2.47 115.29 123.66 2jrj s HIS 25 Ca -0.04 -0.54 0.31 0.00 -0.15 0.00 0.00 55.06 54.63 2jrj s HIS 25 Cb -0.11 -2.19 1.19 0.00 1.11 0.00 0.00 32.58 32.58 2jrj s HIS 25 CO -0.10 -0.34 1.89 1.15 -0.85 0.00 0.00 174.74 176.49 2jrj h THR 26 N 0.82 0.00 -1.70 1.30 2.02 -1.98 -3.44 112.91 109.94 2jrj h THR 26 Ca -0.39 -0.50 -0.56 0.00 0.77 0.00 0.00 66.41 65.73 2jrj h THR 26 Cb 1.28 1.44 -0.00 0.00 -1.74 0.00 0.00 68.15 69.12 2jrj h THR 26 CO 0.53 0.00 1.54 -0.24 0.37 0.00 0.00 175.52 177.72 2jrj n SER 27 N -2.89 2.75 -0.29 4.18 2.88 -1.26 -4.81 113.62 114.18 2jrj n SER 27 Ca 0.01 0.01 0.05 0.00 -1.33 0.00 0.00 58.87 57.62 2jrj n SER 27 Cb 0.31 -1.51 0.20 0.00 -0.75 0.00 0.00 64.21 62.46 2jrj n SER 27 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 2jrj n ARG 28 N 8.76 1.37 0.11 -1.46 -4.01 -1.26 -1.91 116.66 118.27 2jrj n ARG 28 Ca 0.35 -0.57 -0.23 0.00 -1.04 0.00 0.00 57.85 56.36 2jrj n ARG 28 Cb 0.44 -1.19 -0.15 0.00 -3.04 0.00 0.00 32.46 28.51 2jrj n ARG 28 CO 0.00 0.00 0.00 -0.24 -3.04 0.00 0.00 177.63 174.35 2jrj h VAL 29 N 1.00 1.20 0.04 8.89 3.04 -1.97 -3.39 116.25 125.05 2jrj h VAL 29 Ca 0.00 -2.70 -0.36 0.00 -1.01 0.00 0.00 66.70 62.63 2jrj h VAL 29 Cb 0.22 2.93 -0.04 0.00 -2.01 0.00 0.00 31.29 32.39 2jrj h VAL 29 CO 0.00 0.83 -2.03 0.55 -1.01 0.00 0.00 177.57 175.92 2jrj n VAL 30 N -3.63 1.61 -2.84 1.51 3.14 -1.20 -4.71 118.33 112.20 2jrj n VAL 30 Ca -0.18 -0.43 -0.43 0.00 -2.96 0.00 0.00 64.34 60.34 2jrj n VAL 30 Cb 1.08 -1.77 -0.04 0.00 -1.06 0.00 0.00 33.84 32.06 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 -2.49 3.12 0.14 1.55 0.00 -0.80 -2.81 121.76 120.46 2jrj s ALA 31 Ca -0.30 -1.99 -0.32 0.00 0.00 0.00 0.00 51.96 49.35 2jrj s ALA 31 Cb 0.09 -3.95 -0.12 0.00 0.00 0.00 0.00 23.12 19.14 2jrj s ALA 31 CO 0.63 -2.88 1.75 1.58 0.00 0.00 0.00 175.76 176.85 2jrj n HIS 32 N 7.67 2.57 -2.71 0.00 -0.00 0.25 -4.16 115.22 118.84 2jrj n HIS 32 Ca 0.03 0.01 -0.43 0.00 0.46 0.00 0.00 57.72 57.79 2jrj n HIS 32 Cb 0.46 -2.67 -0.03 0.00 -0.12 0.00 0.00 29.99 27.64 2jrj n HIS 32 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 2jrj s VAL 33 N 1.96 4.49 0.66 3.57 0.11 -1.26 -2.07 120.40 127.86 2jrj s VAL 33 Ca 0.80 1.38 -0.16 0.00 -2.93 0.00 0.00 61.98 61.07 2jrj s VAL 33 Cb -0.55 -4.41 0.00 0.00 -1.53 0.00 0.00 36.38 29.90 2jrj s VAL 33 CO 0.37 -0.60 1.18 -0.76 -3.33 0.00 0.00 175.10 171.96 2jrj s LEU 34 N 3.70 3.46 0.00 2.54 1.43 0.13 -4.90 118.68 125.05 2jrj s LEU 34 Ca 0.42 2.29 0.15 0.00 -1.03 0.00 0.00 54.13 55.95 2jrj s LEU 34 Cb -0.11 -4.58 0.79 0.00 0.03 0.00 0.00 46.19 42.31 2jrj s LEU 34 CO 0.20 -1.87 1.36 -0.81 0.23 0.00 0.00 176.35 175.46 2jrj n PRO 35 N -2.23 0.30 -0.28 1.29 -0.04 -1.26 -1.06 135.00 131.72 2jrj n PRO 35 Ca 0.13 0.10 0.09 0.00 -0.04 0.00 0.00 63.50 63.77 2jrj n PRO 35 Cb 0.50 -1.50 0.24 0.00 -0.04 0.00 0.00 33.50 32.70 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 1.08 0.64 3.84 0.00 0.00 -0.22 -5.04 105.19 105.50 2jrj n GLY 37 Ca 0.18 -0.41 -0.25 0.00 0.00 0.00 0.00 46.02 45.54 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 3.22 -0.08 1.61 3.76 -1.25 -4.90 115.29 115.65 2jrj s HIS 38 Ca 0.00 -0.02 0.02 0.00 -0.15 0.00 0.00 55.06 54.91 2jrj s HIS 38 Cb 0.00 -1.52 -0.02 0.00 1.11 0.00 0.00 32.58 32.15 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 -3.37 2.82 -0.20 0.89 1.43 -1.26 0.20 118.68 119.20 2jrj s LEU 39 Ca 0.32 -0.19 -0.21 0.00 -1.03 0.00 0.00 54.13 53.02 2jrj s LEU 39 Cb -0.10 -1.60 0.06 0.00 0.03 0.00 0.00 46.19 44.58 2jrj s LEU 39 CO 0.25 0.30 0.58 -1.48 0.23 0.00 0.00 176.35 176.23 2jrj s LEU 40 N -0.44 -0.22 0.92 1.79 0.05 -0.88 -4.95 118.68 114.95 2jrj s LEU 40 Ca 0.06 1.10 -0.12 0.00 0.05 0.00 0.00 54.13 55.22 2jrj s LEU 40 Cb -0.12 2.01 0.08 0.00 -2.05 0.00 0.00 46.19 46.11 2jrj s LEU 40 CO 0.02 -0.24 0.75 0.00 -0.55 0.00 0.00 176.35 176.33 2jrj n HIS 41 N 2.58 -0.36 -0.12 3.48 -0.00 -1.26 0.84 115.22 120.38 2jrj n HIS 41 Ca -0.14 0.31 -0.05 0.00 -0.00 0.00 0.00 57.72 57.84 2jrj n HIS 41 Cb 0.56 -1.90 -0.04 0.00 -0.00 0.00 0.00 29.99 28.62 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 -1.57 -0.06 -0.72 -1.40 2.47 -1.91 0.76 114.38 111.95 2jrj h ARG 42 Ca -0.44 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.27 2jrj h ARG 42 Cb 1.28 0.01 -0.03 0.00 -1.65 0.00 0.00 29.97 29.58 2jrj h ARG 42 CO 0.38 -0.04 0.37 1.15 0.56 0.00 0.00 179.97 182.39 2jrj h THR 43 N -0.06 1.22 0.00 2.04 2.02 -1.92 -0.77 112.91 115.43 2jrj h THR 43 Ca 0.05 -0.58 -0.05 0.00 0.77 0.00 0.00 66.41 66.60 2jrj h THR 43 Cb 0.19 0.28 -0.01 0.00 -1.74 0.00 0.00 68.15 66.87 2jrj h THR 43 CO -0.31 0.25 -0.23 0.00 0.37 0.00 0.00 175.52 175.60 2jrj h TYR 45 N 0.00 0.17 -0.56 0.00 3.20 0.62 -1.13 116.97 119.26 2jrj h TYR 45 Ca -0.00 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.84 2jrj h TYR 45 Cb 0.51 -0.05 -0.03 0.00 1.54 0.00 0.00 36.73 38.71 2jrj h TYR 45 CO 0.00 0.29 0.30 0.93 -1.64 0.00 0.00 178.16 178.04 2jrj h GLU 46 N -0.00 0.79 0.50 1.82 5.08 -1.04 -1.60 114.58 120.12 2jrj h GLU 46 Ca 0.04 -0.10 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 2jrj h GLU 46 Cb 0.20 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 2jrj h GLU 46 CO -0.00 0.61 -0.34 0.93 -1.00 0.00 0.00 179.01 179.21 2jrj h GLU 47 N 0.75 -0.78 -0.50 2.33 4.39 -0.91 0.19 114.58 120.05 2jrj h GLU 47 Ca 0.20 0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.94 2jrj h GLU 47 Cb 0.06 0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 28.86 2jrj h GLU 47 CO -0.03 -0.52 0.28 1.98 -1.16 0.00 0.00 179.01 179.56 2jrj h MET 48 N -0.81 0.69 -0.12 2.33 4.05 -1.14 0.52 114.93 120.46 2jrj h MET 48 Ca -0.05 -0.08 -0.07 0.00 -0.28 0.00 0.00 59.70 59.21 2jrj h MET 48 Cb 0.67 -0.14 -0.01 0.00 -0.80 0.00 0.00 31.60 31.32 2jrj h MET 48 CO 0.03 0.54 -0.26 1.25 0.23 0.00 0.00 176.91 178.70 2jrj h LEU 49 N 0.66 0.21 -0.33 3.39 5.85 -1.24 0.12 115.31 123.98 2jrj h LEU 49 Ca 0.18 -0.06 -0.10 0.00 0.84 0.00 0.00 57.88 58.73 2jrj h LEU 49 Cb 0.04 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.01 2jrj h LEU 49 CO -0.03 0.48 -0.19 0.50 -0.34 0.00 0.00 178.44 178.87 2jrj h LYS 50 N 0.20 0.70 -0.51 1.25 3.64 0.33 -3.00 116.57 119.18 2jrj h LYS 50 Ca 0.03 -0.32 -0.08 0.00 -1.27 0.00 0.00 60.65 59.01 2jrj h LYS 50 Cb 0.57 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.35 2jrj h LYS 50 CO 0.04 0.92 -0.01 0.93 -2.27 0.00 0.00 179.45 179.07 2jrj h GLU 51 N 0.47 0.87 -4.47 1.90 4.39 -0.54 -3.47 114.58 113.73 2jrj h GLU 51 Ca 0.07 -0.25 -0.31 0.00 0.34 0.00 0.00 59.36 59.21 2jrj h GLU 51 Cb 0.73 -0.09 0.10 0.00 -0.10 0.00 0.00 28.75 29.38 2jrj h GLU 51 CO 0.05 0.87 -0.51 0.41 -1.16 0.00 0.00 179.01 178.68 2jrj n GLY 52 N -0.56 -0.20 3.94 -3.84 0.00 -0.00 -5.02 105.19 99.50 2jrj n GLY 52 Ca 0.03 0.01 -0.24 0.00 0.00 0.00 0.00 46.02 45.82 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 -3.20 1.70 -0.04 1.61 1.13 -1.26 -5.05 117.35 112.24 2jrj s TYR 53 Ca 0.41 -0.76 -0.30 0.00 -1.41 0.00 0.00 57.07 55.01 2jrj s TYR 53 Cb -0.18 -2.03 -0.07 0.00 -1.10 0.00 0.00 41.96 38.58 2jrj s TYR 53 CO 0.50 -0.63 1.79 1.03 -2.51 0.00 0.00 175.55 175.74 2jrj s ARG 54 N -4.37 4.09 -0.35 -3.49 1.81 -1.26 -4.88 118.95 110.50 2jrj s ARG 54 Ca 0.44 2.30 -0.31 0.00 -1.72 0.00 0.00 55.73 56.44 2jrj s ARG 54 Cb -0.03 -4.07 -0.09 0.00 -0.45 0.00 0.00 34.95 30.31 2jrj s ARG 54 CO 0.27 -0.98 2.27 0.00 -0.68 0.00 0.00 175.30 176.18 2jrj h PRO 56 N 14.73 0.00 0.00 0.00 0.13 -2.02 -0.86 132.00 143.98 2jrj h PRO 56 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 2jrj h PRO 56 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 2jrj h PRO 56 CO 1.04 0.02 0.00 1.28 -0.23 0.00 0.00 178.00 180.11 2jrj n LEU 57 N -3.23 0.19 0.26 1.56 4.32 -1.26 -1.50 117.00 117.34 2jrj n LEU 57 Ca -0.02 0.55 0.17 0.00 -0.02 0.00 0.00 56.01 56.69 2jrj n LEU 57 Cb 0.17 -0.52 0.75 0.00 -1.62 0.00 0.00 43.42 42.19 2jrj n LEU 57 CO 0.24 -0.35 1.00 0.00 -1.22 0.00 0.00 177.39 177.06 2jrj n MET 59 N -2.94 4.40 -3.86 0.00 2.81 -0.56 -4.93 117.12 112.05 2jrj n MET 59 Ca 0.00 -3.09 -0.14 0.00 -1.81 0.00 0.00 57.70 52.66 2jrj n MET 59 Cb 0.25 -2.17 -0.15 0.00 -0.71 0.00 0.00 33.22 30.44 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 -2.80 0.06 0.00 2.03 5.04 -0.27 -5.15 115.29 114.19 2jrj s HIS 60 Ca 0.52 0.04 0.00 0.00 -1.54 0.00 0.00 55.06 54.08 2jrj s HIS 60 Cb 0.40 -0.13 0.00 0.00 0.04 0.00 0.00 32.58 32.89 2jrj s HIS 60 CO 0.14 -0.04 0.00 0.43 -2.34 0.00 0.00 174.74 172.93