#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 5.81 -0.24 4.31 -0.87 -1.26 -4.95 114.94 117.73 2jrj s ASN 11 Ca 0.00 -0.36 -0.09 0.00 -1.57 0.00 0.00 52.86 50.84 2jrj s ASN 11 Cb 0.00 -2.07 -0.12 0.00 -0.02 0.00 0.00 41.25 39.04 2jrj s ASN 11 CO 0.00 -0.17 -0.29 0.52 -2.57 0.00 0.00 177.10 174.59 2jrj n VAL 12 N 5.04 1.34 1.24 1.60 0.31 -1.26 -4.45 118.33 122.14 2jrj n VAL 12 Ca -0.14 -0.38 0.10 0.00 -0.01 0.00 0.00 64.34 63.91 2jrj n VAL 12 Cb 0.50 -1.72 0.35 0.00 -0.91 0.00 0.00 33.84 32.06 2jrj n VAL 12 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 2jrj n SER 13 N -3.90 1.57 -4.02 4.52 2.88 -1.26 -4.83 113.62 108.58 2jrj n SER 13 Ca -0.47 -1.73 -0.14 0.00 -1.33 0.00 0.00 58.87 55.20 2jrj n SER 13 Cb 0.86 -0.11 -0.13 0.00 -0.75 0.00 0.00 64.21 64.08 2jrj n SER 13 CO 0.00 0.00 0.00 -1.58 -1.23 0.00 0.00 175.04 172.23 2jrj s GLN 14 N -1.77 0.48 0.34 -1.46 2.00 -1.26 -5.08 119.66 112.91 2jrj s GLN 14 Ca 0.30 -0.54 -0.09 0.00 -2.00 0.00 0.00 55.36 53.04 2jrj s GLN 14 Cb 0.16 -0.33 -0.06 0.00 0.80 0.00 0.00 33.01 33.58 2jrj s GLN 14 CO 0.24 0.07 0.67 -0.65 -0.50 0.00 0.00 175.29 175.13 2jrj s GLN 15 N -1.02 3.75 0.11 1.67 1.11 -1.11 -4.65 119.66 119.52 2jrj s GLN 15 Ca -0.06 0.31 0.09 0.00 0.01 0.00 0.00 55.36 55.72 2jrj s GLN 15 Cb -0.07 -2.51 -0.04 0.00 -1.01 0.00 0.00 33.01 29.39 2jrj s GLN 15 CO 0.00 0.10 -0.22 0.54 0.01 0.00 0.00 175.29 175.72 2jrj s ASN 16 N -2.99 2.70 -0.46 5.90 6.03 -1.26 -2.31 114.94 122.54 2jrj s ASN 16 Ca 0.49 -0.71 -0.22 0.00 -1.03 0.00 0.00 52.86 51.39 2jrj s ASN 16 Cb -0.11 -0.16 0.03 0.00 -3.03 0.00 0.00 41.25 37.99 2jrj s ASN 16 CO 0.28 0.08 0.72 0.00 -2.03 0.00 0.00 177.10 176.15 2jrj n PRO 18 N 6.54 0.06 0.25 0.00 -0.04 -1.26 0.16 135.00 140.70 2jrj n PRO 18 Ca -0.01 0.33 0.15 0.00 -0.04 0.00 0.00 63.50 63.93 2jrj n PRO 18 Cb 0.48 -1.61 0.56 0.00 -0.04 0.00 0.00 33.50 32.88 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 0.16 0.00 0.52 1.08 -1.96 -3.38 117.51 113.93 2jrj h ILE 19 Ca 0.00 -0.75 0.00 0.00 -0.39 0.00 0.00 64.86 63.72 2jrj h ILE 19 Cb 0.25 1.65 0.00 0.00 -3.07 0.00 0.00 36.82 35.65 2jrj h ILE 19 CO 0.00 0.06 0.00 0.00 -0.69 0.00 0.00 178.15 177.52 2jrj n LEU 21 N 0.00 -1.48 0.00 0.00 4.77 0.42 -4.97 117.00 115.74 2jrj n LEU 21 Ca 0.00 0.05 -0.16 0.00 -0.03 0.00 0.00 56.01 55.86 2jrj n LEU 21 Cb 0.40 -2.37 0.04 0.00 -2.33 0.00 0.00 43.42 39.16 2jrj n LEU 21 CO 0.00 -0.08 0.24 -0.62 -1.33 0.00 0.00 177.39 175.60 2jrj n GLU 22 N -3.06 0.72 -2.53 3.23 -0.58 -1.13 -4.78 120.64 112.52 2jrj n GLU 22 Ca -0.15 -2.50 -0.35 0.00 -0.42 0.00 0.00 57.16 53.74 2jrj n GLU 22 Cb 0.62 -0.09 -0.03 0.00 -0.57 0.00 0.00 31.44 31.36 2jrj n GLU 22 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 2jrj s ASP 23 N -3.76 6.47 -0.16 1.62 2.15 -1.26 0.20 116.67 121.93 2jrj s ASP 23 Ca 0.43 1.99 -0.07 0.00 0.43 0.00 0.00 52.55 55.33 2jrj s ASP 23 Cb -0.03 -2.57 0.07 0.00 -0.30 0.00 0.00 42.92 40.08 2jrj s ASP 23 CO 0.27 -0.69 0.35 -0.63 -0.17 0.00 0.00 175.17 174.30 2jrj s ILE 24 N -1.84 -0.34 0.22 4.11 1.01 -0.98 -4.55 121.20 118.84 2jrj s ILE 24 Ca 0.64 0.18 0.07 0.00 0.00 0.00 0.00 60.65 61.54 2jrj s ILE 24 Cb -0.19 -0.55 -0.04 0.00 0.01 0.00 0.00 42.46 41.69 2jrj s ILE 24 CO 0.23 0.07 0.10 -2.28 0.00 0.00 0.00 174.94 173.06 2jrj s HIS 25 N 2.06 2.97 0.63 3.97 5.65 -1.26 -2.77 115.29 126.54 2jrj s HIS 25 Ca -0.04 -0.12 0.30 0.00 0.25 0.00 0.00 55.06 55.45 2jrj s HIS 25 Cb -0.11 -1.37 1.65 0.00 -1.18 0.00 0.00 32.58 31.57 2jrj s HIS 25 CO -0.11 0.54 1.97 1.79 -0.65 0.00 0.00 174.74 178.28 2jrj h THR 26 N 1.90 0.17 -1.71 0.89 1.35 -1.98 -3.40 112.91 110.14 2jrj h THR 26 Ca -0.47 0.00 -0.47 0.00 -0.55 0.00 0.00 66.41 64.92 2jrj h THR 26 Cb 1.23 0.70 0.00 0.00 -1.73 0.00 0.00 68.15 68.35 2jrj h THR 26 CO 0.61 0.00 1.58 -0.44 -0.25 0.00 0.00 175.52 177.01 2jrj s SER 27 N -4.91 4.63 -0.01 5.36 0.01 -1.26 -4.80 113.70 112.72 2jrj s SER 27 Ca -0.04 0.98 0.01 0.00 1.31 0.00 0.00 55.95 58.21 2jrj s SER 27 Cb 0.12 -2.51 0.05 0.00 0.21 0.00 0.00 66.02 63.89 2jrj s SER 27 CO 0.40 -2.75 0.72 -2.11 0.41 0.00 0.00 173.24 169.91 2jrj n ARG 28 N 9.03 1.19 -0.04 12.44 -4.01 -1.26 -3.26 116.66 130.75 2jrj n ARG 28 Ca 0.33 -0.18 -0.14 0.00 -1.04 0.00 0.00 57.85 56.83 2jrj n ARG 28 Cb 0.54 -1.38 -0.09 0.00 -3.04 0.00 0.00 32.46 28.49 2jrj n ARG 28 CO 0.00 0.00 0.00 0.28 -3.04 0.00 0.00 177.63 174.87 2jrj h VAL 29 N 0.24 1.41 0.15 8.89 2.07 -1.93 -3.34 116.25 123.74 2jrj h VAL 29 Ca 0.00 -1.41 -0.34 0.00 0.82 0.00 0.00 66.70 65.77 2jrj h VAL 29 Cb 0.42 2.17 -0.00 0.00 -1.52 0.00 0.00 31.29 32.36 2jrj h VAL 29 CO 0.02 0.39 -1.73 1.62 0.02 0.00 0.00 177.57 177.89 2jrj h VAL 30 N -0.27 0.94 -2.80 2.57 3.04 -1.95 -3.44 116.25 114.35 2jrj h VAL 30 Ca 0.00 -2.57 -0.61 0.00 -1.01 0.00 0.00 66.70 62.51 2jrj h VAL 30 Cb 0.70 2.71 -0.13 0.00 -2.01 0.00 0.00 31.29 32.56 2jrj h VAL 30 CO 0.03 0.84 0.60 0.00 -1.01 0.00 0.00 177.57 178.03 2jrj s ALA 31 N -2.59 3.09 0.33 3.17 0.00 -1.20 -2.89 121.76 121.67 2jrj s ALA 31 Ca -0.15 -1.60 -0.29 0.00 0.00 0.00 0.00 51.96 49.92 2jrj s ALA 31 Cb 0.06 -3.86 -0.11 0.00 0.00 0.00 0.00 23.12 19.21 2jrj s ALA 31 CO 0.84 -2.70 1.54 1.58 0.00 0.00 0.00 175.76 177.02 2jrj n HIS 32 N 7.79 2.89 -2.86 0.00 -0.00 0.19 -4.38 115.22 118.85 2jrj n HIS 32 Ca -0.01 0.34 -0.43 0.00 0.46 0.00 0.00 57.72 58.07 2jrj n HIS 32 Cb 0.46 -2.57 -0.04 0.00 -0.12 0.00 0.00 29.99 27.72 2jrj n HIS 32 CO 0.00 0.00 0.00 0.08 0.46 0.00 0.00 176.34 176.88 2jrj s VAL 33 N -0.47 4.49 0.60 3.57 1.01 -1.26 -2.21 120.40 126.13 2jrj s VAL 33 Ca 0.60 0.53 -0.18 0.00 0.00 0.00 0.00 61.98 62.93 2jrj s VAL 33 Cb -0.49 -4.44 -0.03 0.00 0.00 0.00 0.00 36.38 31.42 2jrj s VAL 33 CO 0.55 -0.89 1.17 -0.76 0.00 0.00 0.00 175.10 175.17 2jrj s LEU 34 N 3.70 3.62 0.60 3.92 1.43 0.96 -4.92 118.68 128.00 2jrj s LEU 34 Ca 0.33 2.27 0.31 0.00 -1.03 0.00 0.00 54.13 56.02 2jrj s LEU 34 Cb -0.11 -4.59 1.82 0.00 0.03 0.00 0.00 46.19 43.34 2jrj s LEU 34 CO 0.23 -1.55 2.19 -0.65 0.23 0.00 0.00 176.35 176.81 2jrj h PRO 35 N 0.76 0.00 -0.33 1.29 0.11 -1.96 0.03 132.00 131.90 2jrj h PRO 35 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2jrj h PRO 35 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 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 1.17 0.68 3.91 0.00 0.00 -0.00 -5.07 105.19 105.88 2jrj n GLY 37 Ca 0.15 -0.68 -0.25 0.00 0.00 0.00 0.00 46.02 45.24 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 3.38 -0.07 1.61 3.76 -1.24 -4.90 115.29 115.83 2jrj s HIS 38 Ca 0.00 0.05 0.03 0.00 -0.15 0.00 0.00 55.06 55.00 2jrj s HIS 38 Cb 0.00 -1.60 -0.02 0.00 1.11 0.00 0.00 32.58 32.07 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 -3.34 2.55 -0.27 0.89 1.43 -1.26 -0.02 118.68 118.65 2jrj s LEU 39 Ca 0.34 -0.31 -0.25 0.00 -1.03 0.00 0.00 54.13 52.87 2jrj s LEU 39 Cb -0.10 -1.52 0.08 0.00 0.03 0.00 0.00 46.19 44.68 2jrj s LEU 39 CO 0.27 0.28 0.77 -1.48 0.23 0.00 0.00 176.35 176.41 2jrj s LEU 40 N -0.32 -0.70 0.71 1.79 0.05 -0.94 -4.93 118.68 114.33 2jrj s LEU 40 Ca 0.02 1.34 -0.16 0.00 0.05 0.00 0.00 54.13 55.38 2jrj s LEU 40 Cb -0.13 2.38 -0.02 0.00 -2.05 0.00 0.00 46.19 46.38 2jrj s LEU 40 CO 0.02 -0.25 0.75 0.00 -0.55 0.00 0.00 176.35 176.33 2jrj n HIS 41 N 2.56 -0.05 -0.23 3.48 -0.00 -1.26 0.55 115.22 120.28 2jrj n HIS 41 Ca -0.14 0.38 -0.09 0.00 -0.00 0.00 0.00 57.72 57.87 2jrj n HIS 41 Cb 0.55 -2.00 -0.04 0.00 -0.00 0.00 0.00 29.99 28.50 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 -0.25 -0.20 -0.41 -1.40 2.47 -1.92 0.88 114.38 113.56 2jrj h ARG 42 Ca -0.46 0.01 0.08 0.00 -1.26 0.00 0.00 59.98 58.35 2jrj h ARG 42 Cb 1.35 0.04 -0.07 0.00 -1.65 0.00 0.00 29.97 29.64 2jrj h ARG 42 CO 0.45 -0.13 -0.04 1.15 0.56 0.00 0.00 179.97 181.96 2jrj h THR 43 N -0.20 0.65 -0.06 2.04 2.02 -1.92 -0.99 112.91 114.44 2jrj h THR 43 Ca 0.18 -0.02 -0.06 0.00 0.77 0.00 0.00 66.41 67.28 2jrj h THR 43 Cb 0.55 0.58 -0.01 0.00 -1.74 0.00 0.00 68.15 67.54 2jrj h THR 43 CO -0.73 0.01 -0.22 0.00 0.37 0.00 0.00 175.52 174.95 2jrj h TYR 45 N 0.09 -0.04 -0.60 0.00 3.20 0.38 -1.25 116.97 118.76 2jrj h TYR 45 Ca 0.02 -0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.82 2jrj h TYR 45 Cb 0.45 0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.71 2jrj h TYR 45 CO 0.00 0.02 0.12 0.93 -1.64 0.00 0.00 178.16 177.60 2jrj h GLU 46 N -0.08 0.98 0.21 1.82 5.08 -0.74 -0.82 114.58 121.02 2jrj h GLU 46 Ca -0.00 -0.25 0.01 0.00 -1.00 0.00 0.00 59.36 58.12 2jrj h GLU 46 Cb 0.07 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.17 2jrj h GLU 46 CO 0.01 0.91 -0.30 0.93 -1.00 0.00 0.00 179.01 179.56 2jrj h GLU 47 N 0.88 -0.55 -0.60 2.33 5.08 -1.02 -0.19 114.58 120.51 2jrj h GLU 47 Ca 0.19 0.04 -0.08 0.00 -1.00 0.00 0.00 59.36 58.51 2jrj h GLU 47 Cb 0.39 0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 2jrj h GLU 47 CO 0.01 -0.37 0.07 1.98 -1.00 0.00 0.00 179.01 179.70 2jrj h MET 48 N -0.57 1.01 0.00 2.33 4.05 -1.12 -3.03 114.93 117.60 2jrj h MET 48 Ca 0.01 -0.29 -0.13 0.00 -0.28 0.00 0.00 59.70 59.01 2jrj h MET 48 Cb 0.56 -0.11 -0.02 0.00 -0.80 0.00 0.00 31.60 31.23 2jrj h MET 48 CO -0.12 0.97 -0.61 1.25 0.23 0.00 0.00 176.91 178.63 2jrj h LEU 49 N 0.91 0.00 -0.33 3.39 5.85 -1.01 0.23 115.31 124.35 2jrj h LEU 49 Ca 0.18 0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.93 2jrj h LEU 49 Cb 0.46 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.46 2jrj h LEU 49 CO 0.02 0.61 0.12 0.11 -0.34 0.00 0.00 178.44 178.95 2jrj h LYS 50 N 0.00 0.26 -0.33 1.25 1.57 -0.90 -1.61 116.57 116.81 2jrj h LYS 50 Ca -0.01 -0.02 -0.16 0.00 -1.87 0.00 0.00 60.65 58.59 2jrj h LYS 50 Cb 1.16 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 33.41 2jrj h LYS 50 CO 0.08 0.17 -0.44 0.93 -0.57 0.00 0.00 179.45 179.62 2jrj h GLU 51 N 0.27 0.85 -0.75 3.15 4.39 -1.53 -3.47 114.58 117.49 2jrj h GLU 51 Ca 0.15 -0.48 -0.32 0.00 0.34 0.00 0.00 59.36 59.05 2jrj h GLU 51 Cb 0.12 0.03 -0.13 0.00 -0.10 0.00 0.00 28.75 28.67 2jrj h GLU 51 CO -0.15 1.12 -0.29 0.41 -1.16 0.00 0.00 179.01 178.94 2jrj n GLY 52 N 0.19 1.59 3.66 -3.84 0.00 0.80 -4.98 105.19 102.61 2jrj n GLY 52 Ca -0.03 -0.25 -0.29 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.57 1.36 0.03 1.61 1.13 -1.25 -4.91 117.35 112.75 2jrj s TYR 53 Ca 0.00 0.71 -0.30 0.00 -1.41 0.00 0.00 57.07 56.06 2jrj s TYR 53 Cb 0.00 -3.41 -0.07 0.00 -1.10 0.00 0.00 41.96 37.38 2jrj s TYR 53 CO 0.00 -3.31 1.68 1.03 -2.51 0.00 0.00 175.55 172.44 2jrj s ARG 54 N -5.24 4.19 -0.26 -3.49 0.52 -1.26 -4.85 118.95 108.56 2jrj s ARG 54 Ca 0.68 2.31 -0.33 0.00 -0.52 0.00 0.00 55.73 57.87 2jrj s ARG 54 Cb -0.13 -3.79 -0.10 0.00 0.52 0.00 0.00 34.95 31.45 2jrj s ARG 54 CO 0.56 -0.79 2.12 0.00 0.02 0.00 0.00 175.30 177.21 2jrj h PRO 56 N 12.28 0.00 0.00 0.00 0.13 -1.93 -2.00 132.00 140.48 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 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 2jrj h PRO 56 CO 0.99 0.09 0.00 1.28 -0.23 0.00 0.00 178.00 180.13 2jrj n LEU 57 N -3.68 0.60 0.12 1.56 4.32 -1.25 0.06 117.00 118.72 2jrj n LEU 57 Ca -0.02 0.69 -0.01 0.00 -0.02 0.00 0.00 56.01 56.64 2jrj n LEU 57 Cb 0.20 -0.65 0.10 0.00 -1.62 0.00 0.00 43.42 41.45 2jrj n LEU 57 CO 0.29 -0.67 0.42 0.00 -1.22 0.00 0.00 177.39 176.21 2jrj n MET 59 N -3.56 2.18 -4.00 0.00 0.00 0.13 -5.03 117.12 106.84 2jrj n MET 59 Ca -0.00 -0.04 -0.10 0.00 0.00 0.00 0.00 57.70 57.56 2jrj n MET 59 Cb 0.71 -1.11 -0.07 0.00 0.00 0.00 0.00 33.22 32.74 2jrj n MET 59 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 175.97 174.96 2jrj s HIS 60 N -2.33 0.50 0.00 3.17 3.76 0.11 -5.13 115.29 115.37 2jrj s HIS 60 Ca 0.01 -0.85 0.00 0.00 -0.15 0.00 0.00 55.06 54.07 2jrj s HIS 60 Cb 0.08 -0.09 0.00 0.00 1.11 0.00 0.00 32.58 33.67 2jrj s HIS 60 CO 0.45 -0.75 0.00 0.43 -0.85 0.00 0.00 174.74 174.03