#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 -0.81 -0.40 1.62 3.84 -1.26 -5.12 114.94 112.81 2jrj s ASN 11 Ca 0.00 1.31 -0.29 0.00 0.21 0.00 0.00 52.86 54.10 2jrj s ASN 11 Cb 0.00 1.22 0.00 0.00 -0.55 0.00 0.00 41.25 41.93 2jrj s ASN 11 CO 0.00 -0.22 1.50 -0.69 -2.79 0.00 0.00 177.10 174.90 2jrj s VAL 12 N 1.63 3.80 0.07 -5.21 1.01 -1.26 -4.86 120.40 115.58 2jrj s VAL 12 Ca -0.10 0.81 0.00 0.00 0.00 0.00 0.00 61.98 62.69 2jrj s VAL 12 Cb -0.06 -4.08 -0.26 0.00 0.00 0.00 0.00 36.38 31.98 2jrj s VAL 12 CO -0.18 -0.70 1.12 0.77 0.00 0.00 0.00 175.10 176.12 2jrj h SER 13 N 11.24 0.26 -2.17 3.32 4.64 -2.00 -3.43 113.55 125.41 2jrj h SER 13 Ca -0.29 -0.29 -0.53 0.00 -0.47 0.00 0.00 61.79 60.21 2jrj h SER 13 Cb 1.12 -0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 63.11 2jrj h SER 13 CO 1.08 1.23 1.39 -1.58 -0.87 0.00 0.00 176.83 178.09 2jrj s GLN 14 N -2.66 2.85 0.38 4.77 0.74 -1.26 -4.90 119.66 119.57 2jrj s GLN 14 Ca -0.03 1.24 -0.24 0.00 0.05 0.00 0.00 55.36 56.37 2jrj s GLN 14 Cb 0.08 -4.35 -0.09 0.00 1.10 0.00 0.00 33.01 29.74 2jrj s GLN 14 CO 0.86 -2.43 1.01 -1.14 -0.55 0.00 0.00 175.29 173.03 2jrj s GLN 15 N 6.67 4.30 -0.04 1.67 2.00 -0.88 -4.95 119.66 128.43 2jrj s GLN 15 Ca 0.82 1.41 -0.01 0.00 -2.00 0.00 0.00 55.36 55.58 2jrj s GLN 15 Cb -0.20 -2.58 -0.04 0.00 0.80 0.00 0.00 33.01 31.00 2jrj s GLN 15 CO 0.28 0.00 0.02 0.54 -0.50 0.00 0.00 175.29 175.63 2jrj s ASN 16 N -1.65 5.30 -0.44 6.67 2.20 -1.26 -1.27 114.94 124.49 2jrj s ASN 16 Ca 0.56 0.10 -0.25 0.00 -0.94 0.00 0.00 52.86 52.33 2jrj s ASN 16 Cb -0.19 -1.46 0.02 0.00 -2.00 0.00 0.00 41.25 37.61 2jrj s ASN 16 CO 0.25 0.33 0.88 0.00 -2.94 0.00 0.00 177.10 175.61 2jrj h PRO 18 N 8.91 0.00 0.00 0.00 0.11 -1.95 0.54 132.00 139.61 2jrj h PRO 18 Ca -0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.87 2jrj h PRO 18 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 2jrj h PRO 18 CO 0.99 0.00 0.00 -0.89 -0.21 0.00 0.00 178.00 177.89 2jrj n ILE 19 N -2.93 0.51 -1.38 4.15 2.08 -1.26 -4.28 119.36 116.24 2jrj n ILE 19 Ca -0.01 -0.02 0.00 0.00 0.56 0.00 0.00 62.75 63.28 2jrj n ILE 19 Cb 0.17 -0.72 0.00 0.00 -0.75 0.00 0.00 39.64 38.34 2jrj n ILE 19 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2jrj n LEU 21 N 0.00 -0.60 -5.00 0.00 4.77 0.19 -4.96 117.00 111.39 2jrj n LEU 21 Ca 0.00 0.33 -0.20 0.00 -0.03 0.00 0.00 56.01 56.11 2jrj n LEU 21 Cb 0.21 -2.73 0.04 0.00 -2.33 0.00 0.00 43.42 38.61 2jrj n LEU 21 CO 0.00 -1.06 0.32 -1.61 -1.33 0.00 0.00 177.39 173.71 2jrj s GLU 22 N -3.12 2.45 0.62 3.23 0.41 -1.20 -4.74 118.70 116.35 2jrj s GLU 22 Ca 0.00 -1.20 -0.16 0.00 -0.41 0.00 0.00 54.97 53.20 2jrj s GLU 22 Cb 0.00 -2.60 -0.02 0.00 -1.78 0.00 0.00 34.13 29.74 2jrj s GLU 22 CO 0.00 -0.71 1.11 0.34 -0.49 0.00 0.00 175.26 175.51 2jrj s ASP 23 N -4.51 5.30 -0.15 -0.19 2.15 -1.26 0.28 116.67 118.30 2jrj s ASP 23 Ca 0.59 2.05 -0.09 0.00 0.43 0.00 0.00 52.55 55.53 2jrj s ASP 23 Cb -0.08 -2.56 0.05 0.00 -0.30 0.00 0.00 42.92 40.03 2jrj s ASP 23 CO 0.38 -1.50 0.37 -0.63 -0.17 0.00 0.00 175.17 173.62 2jrj s ILE 24 N -2.17 -0.02 0.40 4.11 1.01 -0.40 -4.57 121.20 119.55 2jrj s ILE 24 Ca 0.69 0.09 0.08 0.00 0.00 0.00 0.00 60.65 61.50 2jrj s ILE 24 Cb -0.21 -0.55 -0.05 0.00 0.01 0.00 0.00 42.46 41.65 2jrj s ILE 24 CO 0.37 0.04 0.14 -1.00 0.00 0.00 0.00 174.94 174.49 2jrj s HIS 25 N 1.19 2.60 -0.21 3.97 3.76 -1.26 -2.06 115.29 123.28 2jrj s HIS 25 Ca -0.08 -0.55 0.28 0.00 -0.15 0.00 0.00 55.06 54.56 2jrj s HIS 25 Cb -0.08 -1.85 1.16 0.00 1.11 0.00 0.00 32.58 32.92 2jrj s HIS 25 CO -0.10 0.26 1.84 0.00 -0.85 0.00 0.00 174.74 175.89 2jrj h THR 26 N 1.52 0.00 -3.27 1.30 1.03 -1.98 -3.43 112.91 108.07 2jrj h THR 26 Ca -0.43 -0.37 -0.53 0.00 -0.01 0.00 0.00 66.41 65.08 2jrj h THR 26 Cb 1.25 1.23 0.03 0.00 -1.07 0.00 0.00 68.15 69.59 2jrj h THR 26 CO 0.70 0.00 0.68 -0.94 -0.01 0.00 0.00 175.52 175.94 2jrj s SER 27 N -4.94 6.87 -0.02 0.00 1.04 -1.26 -4.92 113.70 110.46 2jrj s SER 27 Ca 0.03 2.39 0.19 0.00 0.48 0.00 0.00 55.95 59.04 2jrj s SER 27 Cb 0.09 -2.60 0.60 0.00 0.10 0.00 0.00 66.02 64.21 2jrj s SER 27 CO 0.47 -0.57 1.50 -2.11 0.98 0.00 0.00 173.24 173.51 2jrj n ARG 28 N 3.00 2.76 0.02 4.02 0.00 -1.26 -3.83 116.66 121.37 2jrj n ARG 28 Ca 0.08 -2.43 -0.11 0.00 -0.00 0.00 0.00 57.85 55.38 2jrj n ARG 28 Cb 0.43 -1.59 -0.06 0.00 -0.00 0.00 0.00 32.46 31.24 2jrj n ARG 28 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 2jrj h VAL 29 N 3.84 0.93 0.00 8.89 2.07 -1.96 -3.29 116.25 126.73 2jrj h VAL 29 Ca 0.00 0.00 -0.36 0.00 0.82 0.00 0.00 66.70 67.16 2jrj h VAL 29 Cb 0.99 0.93 -0.07 0.00 -1.52 0.00 0.00 31.29 31.63 2jrj h VAL 29 CO 0.05 0.00 -2.35 0.52 0.02 0.00 0.00 177.57 175.81 2jrj n VAL 30 N -5.13 1.35 -2.84 2.57 0.31 -1.26 -4.87 118.33 108.46 2jrj n VAL 30 Ca -0.06 -0.74 -0.43 0.00 -0.01 0.00 0.00 64.34 63.10 2jrj n VAL 30 Cb 0.06 -0.73 -0.04 0.00 -0.91 0.00 0.00 33.84 32.22 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 -2.47 3.15 0.18 3.52 0.00 -1.24 -1.66 121.76 123.23 2jrj s ALA 31 Ca -0.16 -1.37 -0.31 0.00 0.00 0.00 0.00 51.96 50.12 2jrj s ALA 31 Cb 0.07 -3.76 -0.10 0.00 0.00 0.00 0.00 23.12 19.33 2jrj s ALA 31 CO 0.73 -2.47 1.51 -1.58 0.00 0.00 0.00 175.76 173.95 2jrj s HIS 32 N 3.98 3.07 -0.34 0.00 2.46 0.24 -4.21 115.29 120.50 2jrj s HIS 32 Ca 0.28 0.79 -0.21 0.00 0.47 0.00 0.00 55.06 56.39 2jrj s HIS 32 Cb -0.13 -3.86 0.00 0.00 -0.13 0.00 0.00 32.58 28.45 2jrj s HIS 32 CO 0.17 -3.06 0.68 0.54 -2.47 0.00 0.00 174.74 170.60 2jrj s VAL 33 N 0.79 4.86 0.69 0.89 0.11 -1.26 -1.59 120.40 124.88 2jrj s VAL 33 Ca 0.66 0.77 -0.16 0.00 -2.93 0.00 0.00 61.98 60.32 2jrj s VAL 33 Cb -0.42 -4.09 0.02 0.00 -1.53 0.00 0.00 36.38 30.35 2jrj s VAL 33 CO 0.35 -0.29 1.19 -0.76 -3.33 0.00 0.00 175.10 172.25 2jrj s LEU 34 N 2.79 3.41 0.03 2.54 1.43 0.15 -4.90 118.68 124.14 2jrj s LEU 34 Ca 0.27 2.29 0.12 0.00 -1.03 0.00 0.00 54.13 55.78 2jrj s LEU 34 Cb -0.14 -4.58 0.52 0.00 0.03 0.00 0.00 46.19 42.02 2jrj s LEU 34 CO 0.14 -1.99 1.38 -0.81 0.23 0.00 0.00 176.35 175.30 2jrj n PRO 35 N -2.41 0.02 -0.31 1.29 -0.04 -1.26 -1.04 135.00 131.24 2jrj n PRO 35 Ca 0.13 0.34 0.10 0.00 -0.04 0.00 0.00 63.50 64.03 2jrj n PRO 35 Cb 0.50 -1.55 0.28 0.00 -0.04 0.00 0.00 33.50 32.69 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 1.51 0.62 3.85 0.00 0.00 -0.21 -5.04 105.19 105.92 2jrj n GLY 37 Ca 0.21 -0.53 -0.25 0.00 0.00 0.00 0.00 46.02 45.45 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 3.25 -0.09 1.61 3.76 -1.24 -4.90 115.29 115.68 2jrj s HIS 38 Ca 0.00 0.00 0.01 0.00 -0.15 0.00 0.00 55.06 54.92 2jrj s HIS 38 Cb 0.00 -1.54 -0.02 0.00 1.11 0.00 0.00 32.58 32.13 2jrj s HIS 38 CO 0.00 0.51 -0.11 -0.51 -0.85 0.00 0.00 174.74 173.78 2jrj s LEU 39 N -3.31 2.86 -0.21 0.89 1.43 -1.26 0.32 118.68 119.40 2jrj s LEU 39 Ca 0.32 -0.19 -0.17 0.00 -1.03 0.00 0.00 54.13 53.06 2jrj s LEU 39 Cb -0.10 -1.62 0.06 0.00 0.03 0.00 0.00 46.19 44.56 2jrj s LEU 39 CO 0.25 0.28 0.54 -1.48 0.23 0.00 0.00 176.35 176.17 2jrj s LEU 40 N -0.31 -0.19 1.02 1.79 0.05 -0.62 -4.96 118.68 115.46 2jrj s LEU 40 Ca 0.03 1.11 -0.12 0.00 0.05 0.00 0.00 54.13 55.20 2jrj s LEU 40 Cb -0.13 1.84 0.17 0.00 -2.05 0.00 0.00 46.19 46.02 2jrj s LEU 40 CO 0.03 -0.20 0.88 0.00 -0.55 0.00 0.00 176.35 176.51 2jrj n HIS 41 N 3.24 -0.35 -0.04 3.48 -0.00 -1.26 0.82 115.22 121.11 2jrj n HIS 41 Ca -0.16 0.19 -0.01 0.00 -0.00 0.00 0.00 57.72 57.74 2jrj n HIS 41 Cb 0.56 -1.84 -0.01 0.00 -0.00 0.00 0.00 29.99 28.71 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 -3.85 -0.04 -0.07 -1.40 5.12 -0.67 -0.96 116.66 114.79 2jrj n ARG 42 Ca 0.07 0.92 -0.01 0.00 -1.93 0.00 0.00 57.85 56.91 2jrj n ARG 42 Cb 0.54 -1.38 0.26 0.00 -1.16 0.00 0.00 32.46 30.71 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 1.20 0.00 0.55 2.02 -1.90 -1.99 112.91 112.79 2jrj h THR 43 Ca 0.01 -0.71 -0.04 0.00 0.77 0.00 0.00 66.41 66.45 2jrj h THR 43 Cb 0.04 0.72 -0.01 0.00 -1.74 0.00 0.00 68.15 67.16 2jrj h THR 43 CO -0.08 0.26 -0.17 0.00 0.37 0.00 0.00 175.52 175.90 2jrj h TYR 45 N 0.00 0.79 -0.11 0.00 3.20 -0.25 -1.84 116.97 118.76 2jrj h TYR 45 Ca -0.00 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 2jrj h TYR 45 Cb 0.55 -0.26 -0.00 0.00 1.54 0.00 0.00 36.73 38.56 2jrj h TYR 45 CO 0.00 0.54 0.03 0.93 -1.64 0.00 0.00 178.16 178.02 2jrj h GLU 46 N 0.81 0.18 0.20 1.82 5.08 -1.25 -2.52 114.58 118.91 2jrj h GLU 46 Ca 0.22 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.55 2jrj h GLU 46 Cb -0.02 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.16 2jrj h GLU 46 CO -0.04 0.34 -0.39 0.93 -1.00 0.00 0.00 179.01 178.86 2jrj h GLU 47 N -0.02 -0.65 -0.17 2.33 5.08 -1.09 -0.11 114.58 119.95 2jrj h GLU 47 Ca 0.04 0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 2jrj h GLU 47 Cb 0.24 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 2jrj h GLU 47 CO -0.00 -0.43 0.06 1.98 -1.00 0.00 0.00 179.01 179.61 2jrj h MET 48 N -0.67 0.27 -0.73 2.33 4.05 -1.41 -2.28 114.93 116.48 2jrj h MET 48 Ca 0.01 -0.06 -0.02 0.00 -0.28 0.00 0.00 59.70 59.35 2jrj h MET 48 Cb 0.67 -0.04 -0.03 0.00 -0.80 0.00 0.00 31.60 31.39 2jrj h MET 48 CO -0.18 0.38 0.38 1.25 0.23 0.00 0.00 176.91 178.97 2jrj h LEU 49 N 0.10 0.93 -0.56 3.39 5.85 -1.29 -2.31 115.31 121.42 2jrj h LEU 49 Ca 0.06 -0.09 -0.15 0.00 0.84 0.00 0.00 57.88 58.53 2jrj h LEU 49 Cb 0.22 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.01 2jrj h LEU 49 CO -0.00 0.76 -0.55 0.11 -0.34 0.00 0.00 178.44 178.42 2jrj h LYS 50 N 1.03 0.48 -0.20 1.25 1.57 -0.87 -2.82 116.57 117.01 2jrj h LYS 50 Ca 0.26 -0.30 0.01 0.00 -1.87 0.00 0.00 60.65 58.75 2jrj h LYS 50 Cb 0.06 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 2jrj h LYS 50 CO -0.04 0.90 0.13 0.93 -0.57 0.00 0.00 179.45 180.81 2jrj h GLU 51 N 0.37 0.21 0.00 3.15 4.39 -0.85 -3.46 114.58 118.39 2jrj h GLU 51 Ca 0.01 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.69 2jrj h GLU 51 Cb 1.08 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.68 2jrj h GLU 51 CO 0.10 0.14 0.00 0.41 -1.16 0.00 0.00 179.01 178.50 2jrj n GLY 52 N -1.52 1.74 3.76 -3.84 0.00 -1.07 -5.00 105.19 99.26 2jrj n GLY 52 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 -3.39 2.54 0.26 1.61 -0.85 -1.26 -4.98 117.35 111.28 2jrj s TYR 53 Ca 0.00 1.08 -0.30 0.00 -0.52 0.00 0.00 57.07 57.33 2jrj s TYR 53 Cb 0.00 -3.22 -0.10 0.00 0.38 0.00 0.00 41.96 39.02 2jrj s TYR 53 CO 0.00 -2.21 1.43 1.03 -1.52 0.00 0.00 175.55 174.28 2jrj s ARG 54 N -5.11 4.27 -0.31 -3.49 0.52 -1.26 -4.88 118.95 108.69 2jrj s ARG 54 Ca 0.63 2.30 -0.33 0.00 -0.52 0.00 0.00 55.73 57.81 2jrj s ARG 54 Cb -0.16 -3.10 -0.09 0.00 0.52 0.00 0.00 34.95 32.12 2jrj s ARG 54 CO 0.55 -0.40 2.21 0.00 0.02 0.00 0.00 175.30 177.68 2jrj h PRO 56 N 13.48 0.00 0.00 0.00 0.13 -1.98 -1.49 132.00 142.13 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 1.00 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 180.05 2jrj n LEU 57 N -2.71 0.00 0.25 1.56 4.32 -1.26 -1.23 117.00 117.93 2jrj n LEU 57 Ca -0.00 0.44 0.13 0.00 -0.02 0.00 0.00 56.01 56.56 2jrj n LEU 57 Cb 0.19 -0.44 0.57 0.00 -1.62 0.00 0.00 43.42 42.13 2jrj n LEU 57 CO 0.21 -0.20 0.90 0.00 -1.22 0.00 0.00 177.39 177.08 2jrj n MET 59 N -3.26 2.63 -3.21 0.00 2.81 -0.37 -4.84 117.12 110.89 2jrj n MET 59 Ca 0.00 -2.24 -0.01 0.00 -1.81 0.00 0.00 57.70 53.65 2jrj n MET 59 Cb 0.37 -1.40 -0.02 0.00 -0.71 0.00 0.00 33.22 31.46 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 -1.05 -1.57 0.00 2.03 5.65 -0.96 -5.15 115.29 114.23 2jrj s HIS 60 Ca 0.33 0.62 0.00 0.00 0.25 0.00 0.00 55.06 56.26 2jrj s HIS 60 Cb 0.18 0.18 0.00 0.00 -1.18 0.00 0.00 32.58 31.76 2jrj s HIS 60 CO 0.24 -1.09 0.00 0.43 -0.65 0.00 0.00 174.74 173.67