#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 -5.20 -4.05 4.31 2.85 -1.26 -5.07 115.26 106.84 2jrj n ASN 11 Ca 0.00 0.73 -0.26 0.00 -0.11 0.00 0.00 54.58 54.94 2jrj n ASN 11 Cb 0.00 -3.31 -0.17 0.00 1.24 0.00 0.00 39.78 37.54 2jrj n ASN 11 CO 0.00 0.00 0.00 0.68 -2.11 0.00 0.00 177.26 175.83 2jrj s VAL 12 N -0.94 1.31 0.42 3.44 -7.23 -1.26 -5.13 120.40 111.00 2jrj s VAL 12 Ca 0.01 -0.57 -0.24 0.00 -1.81 0.00 0.00 61.98 59.37 2jrj s VAL 12 Cb -0.00 -1.18 -0.08 0.00 0.56 0.00 0.00 36.38 35.67 2jrj s VAL 12 CO 0.42 0.39 1.09 -0.44 -0.31 0.00 0.00 175.10 176.25 2jrj s SER 13 N 0.66 6.57 0.17 4.85 0.01 -1.26 -4.95 113.70 119.75 2jrj s SER 13 Ca -0.14 2.14 -0.16 0.00 1.31 0.00 0.00 55.95 59.10 2jrj s SER 13 Cb -0.16 -2.59 0.11 0.00 0.21 0.00 0.00 66.02 63.59 2jrj s SER 13 CO 0.04 -0.63 1.70 1.56 0.41 0.00 0.00 173.24 176.32 2jrj h GLN 14 N 2.37 0.11 -3.56 12.44 7.50 -1.98 -3.42 115.11 128.57 2jrj h GLN 14 Ca -0.49 -0.01 -0.20 0.00 0.50 0.00 0.00 58.65 58.46 2jrj h GLN 14 Cb 1.23 -0.02 -0.26 0.00 0.05 0.00 0.00 27.48 28.47 2jrj h GLN 14 CO 0.62 0.07 -0.61 -1.14 -1.50 0.00 0.00 178.83 176.27 2jrj s GLN 15 N -6.18 0.16 -0.10 1.46 2.00 0.62 -4.96 119.66 112.67 2jrj s GLN 15 Ca -0.13 -0.00 -0.11 0.00 -2.00 0.00 0.00 55.36 53.11 2jrj s GLN 15 Cb 0.14 0.07 -0.05 0.00 0.80 0.00 0.00 33.01 33.97 2jrj s GLN 15 CO 0.71 -0.03 0.26 0.54 -0.50 0.00 0.00 175.29 176.28 2jrj s ASN 16 N -0.25 6.52 -0.45 6.67 2.20 -1.26 -0.28 114.94 128.09 2jrj s ASN 16 Ca -0.03 0.62 -0.24 0.00 -0.94 0.00 0.00 52.86 52.27 2jrj s ASN 16 Cb -0.02 -2.16 0.03 0.00 -2.00 0.00 0.00 41.25 37.10 2jrj s ASN 16 CO 0.00 0.29 0.84 0.00 -2.94 0.00 0.00 177.10 175.29 2jrj h PRO 18 N 9.02 0.00 0.00 0.00 0.11 -1.96 0.95 132.00 140.12 2jrj h PRO 18 Ca -0.24 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.86 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 -0.05 0.82 -0.21 0.00 0.00 178.00 179.55 2jrj h ILE 19 N 0.00 0.59 0.00 4.15 1.08 -1.97 -3.33 117.51 118.03 2jrj h ILE 19 Ca 0.00 -0.20 0.00 0.00 -0.39 0.00 0.00 64.86 64.27 2jrj h ILE 19 Cb 0.68 1.12 0.00 0.00 -3.07 0.00 0.00 36.82 35.56 2jrj h ILE 19 CO 0.00 0.05 0.00 0.00 -0.69 0.00 0.00 178.15 177.51 2jrj n LEU 21 N 0.00 -5.41 -3.90 0.00 4.77 0.30 -5.05 117.00 107.71 2jrj n LEU 21 Ca 0.00 0.45 -0.10 0.00 -0.03 0.00 0.00 56.01 56.34 2jrj n LEU 21 Cb 0.38 -2.48 -0.09 0.00 -2.33 0.00 0.00 43.42 38.90 2jrj n LEU 21 CO 0.00 -1.59 -0.17 -1.61 -1.33 0.00 0.00 177.39 172.69 2jrj s GLU 22 N -2.08 0.66 0.33 3.23 2.02 -1.04 -4.96 118.70 116.84 2jrj s GLU 22 Ca 0.20 -0.76 -0.28 0.00 0.02 0.00 0.00 54.97 54.15 2jrj s GLU 22 Cb -0.03 0.26 -0.09 0.00 0.10 0.00 0.00 34.13 34.36 2jrj s GLU 22 CO 0.67 -0.18 1.16 0.34 0.02 0.00 0.00 175.26 177.26 2jrj s ASP 23 N -2.24 6.96 -0.01 -0.19 2.15 -1.26 -0.41 116.67 121.66 2jrj s ASP 23 Ca -0.03 2.36 0.01 0.00 0.43 0.00 0.00 52.55 55.32 2jrj s ASP 23 Cb 0.00 -2.63 0.01 0.00 -0.30 0.00 0.00 42.92 40.00 2jrj s ASP 23 CO -0.05 -0.37 -0.04 -0.63 -0.17 0.00 0.00 175.17 173.91 2jrj s ILE 24 N -1.25 0.36 0.03 4.11 1.01 0.62 -4.81 121.20 121.27 2jrj s ILE 24 Ca 0.49 -0.13 0.06 0.00 0.00 0.00 0.00 60.65 61.06 2jrj s ILE 24 Cb -0.33 -0.35 -0.03 0.00 0.01 0.00 0.00 42.46 41.76 2jrj s ILE 24 CO 0.42 0.13 -0.13 -1.38 0.00 0.00 0.00 174.94 173.98 2jrj s HIS 25 N 0.26 2.70 0.00 3.97 -3.43 -1.26 -0.27 115.29 117.26 2jrj s HIS 25 Ca -0.03 -0.17 0.26 0.00 -0.80 0.00 0.00 55.06 54.32 2jrj s HIS 25 Cb -0.06 -1.51 1.40 0.00 -1.43 0.00 0.00 32.58 30.97 2jrj s HIS 25 CO -0.00 0.31 1.78 1.15 -2.00 0.00 0.00 174.74 175.98 2jrj h THR 26 N 3.80 0.00 -0.53 -5.38 2.02 -1.96 -3.42 112.91 107.45 2jrj h THR 26 Ca -0.48 0.00 -0.69 0.00 0.77 0.00 0.00 66.41 66.01 2jrj h THR 26 Cb 1.16 0.57 -0.03 0.00 -1.74 0.00 0.00 68.15 68.11 2jrj h THR 26 CO 0.50 0.00 1.42 -1.20 0.37 0.00 0.00 175.52 176.62 2jrj n SER 27 N -2.41 1.35 0.16 4.18 7.64 -1.26 -4.79 113.62 118.49 2jrj n SER 27 Ca -0.02 0.46 0.01 0.00 1.01 0.00 0.00 58.87 60.33 2jrj n SER 27 Cb 0.07 -1.08 0.27 0.00 -1.01 0.00 0.00 64.21 62.46 2jrj n SER 27 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 2jrj h ARG 28 N 11.19 0.00 0.00 1.43 9.65 -1.84 -1.63 114.38 133.19 2jrj h ARG 28 Ca -0.17 -0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.71 2jrj h ARG 28 Cb 1.36 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.94 2jrj h ARG 28 CO 1.09 0.48 0.00 0.28 2.80 0.00 0.00 179.97 184.63 2jrj h VAL 29 N 0.00 0.00 0.00 0.20 2.07 -1.96 -3.32 116.25 113.24 2jrj h VAL 29 Ca -0.00 -0.79 -0.44 0.00 0.82 0.00 0.00 66.70 66.28 2jrj h VAL 29 Cb 0.85 1.79 -0.07 0.00 -1.52 0.00 0.00 31.29 32.34 2jrj h VAL 29 CO 0.06 0.00 -2.51 0.52 0.02 0.00 0.00 177.57 175.66 2jrj n VAL 30 N -3.05 1.52 -2.99 2.57 0.31 -1.03 -4.87 118.33 110.79 2jrj n VAL 30 Ca 0.03 -0.45 -0.42 0.00 -0.01 0.00 0.00 64.34 63.49 2jrj n VAL 30 Cb 0.44 -1.73 -0.05 0.00 -0.91 0.00 0.00 33.84 31.59 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 -2.51 3.40 0.30 3.52 0.00 -0.64 -4.58 121.76 121.25 2jrj s ALA 31 Ca -0.37 -0.78 -0.29 0.00 0.00 0.00 0.00 51.96 50.52 2jrj s ALA 31 Cb 0.13 -3.35 -0.10 0.00 0.00 0.00 0.00 23.12 19.79 2jrj s ALA 31 CO 0.53 -1.56 1.37 -1.58 0.00 0.00 0.00 175.76 174.51 2jrj s HIS 32 N 3.07 3.01 -0.12 0.00 5.65 0.22 -4.65 115.29 122.46 2jrj s HIS 32 Ca 0.30 1.26 -0.16 0.00 0.25 0.00 0.00 55.06 56.71 2jrj s HIS 32 Cb -0.13 -3.75 -0.05 0.00 -1.18 0.00 0.00 32.58 27.47 2jrj s HIS 32 CO 0.18 -2.22 0.39 0.54 -0.65 0.00 0.00 174.74 172.98 2jrj s VAL 33 N -0.72 5.22 0.33 0.89 0.11 -1.26 -0.96 120.40 124.00 2jrj s VAL 33 Ca 0.53 0.77 -0.22 0.00 -2.93 0.00 0.00 61.98 60.13 2jrj s VAL 33 Cb -0.41 -3.73 -0.10 0.00 -1.53 0.00 0.00 36.38 30.62 2jrj s VAL 33 CO 0.50 0.39 0.88 -0.76 -3.33 0.00 0.00 175.10 172.78 2jrj s LEU 34 N 0.31 4.21 0.66 2.54 1.43 0.12 -4.96 118.68 122.99 2jrj s LEU 34 Ca 0.22 1.66 0.35 0.00 -1.03 0.00 0.00 54.13 55.32 2jrj s LEU 34 Cb -0.14 -4.06 1.90 0.00 0.03 0.00 0.00 46.19 43.91 2jrj s LEU 34 CO 0.08 -0.13 2.09 -0.65 0.23 0.00 0.00 176.35 177.97 2jrj h PRO 35 N 2.82 0.00 -0.48 1.29 0.11 -1.98 0.10 132.00 133.86 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 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2jrj h PRO 35 CO 0.64 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.43 2jrj n GLY 37 N 1.22 0.60 3.87 0.00 0.00 0.35 -5.06 105.19 106.17 2jrj n GLY 37 Ca 0.16 -0.58 -0.24 0.00 0.00 0.00 0.00 46.02 45.35 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 3.27 -0.05 1.61 3.76 -1.24 -4.90 115.29 115.74 2jrj s HIS 38 Ca 0.00 -0.01 0.03 0.00 -0.15 0.00 0.00 55.06 54.93 2jrj s HIS 38 Cb 0.00 -1.53 -0.03 0.00 1.11 0.00 0.00 32.58 32.14 2jrj s HIS 38 CO 0.00 0.50 -0.13 -0.51 -0.85 0.00 0.00 174.74 173.75 2jrj s LEU 39 N -3.51 2.82 0.11 0.89 1.43 -1.26 0.11 118.68 119.26 2jrj s LEU 39 Ca 0.33 -0.16 -0.15 0.00 -1.03 0.00 0.00 54.13 53.12 2jrj s LEU 39 Cb -0.09 -1.58 0.03 0.00 0.03 0.00 0.00 46.19 44.58 2jrj s LEU 39 CO 0.26 0.35 0.36 -1.48 0.23 0.00 0.00 176.35 176.07 2jrj s LEU 40 N -0.75 0.59 0.94 1.79 0.05 -0.14 -4.93 118.68 116.24 2jrj s LEU 40 Ca 0.12 -0.33 -0.12 0.00 0.05 0.00 0.00 54.13 53.84 2jrj s LEU 40 Cb -0.11 1.67 0.16 0.00 -2.05 0.00 0.00 46.19 45.86 2jrj s LEU 40 CO 0.01 -0.80 1.11 -1.38 -0.55 0.00 0.00 176.35 174.73 2jrj s HIS 41 N -3.61 2.32 0.11 3.48 0.00 -1.26 0.68 115.29 117.01 2jrj s HIS 41 Ca 0.02 0.98 -0.25 0.00 -3.00 0.00 0.00 55.06 52.81 2jrj s HIS 41 Cb 0.02 -3.28 -0.08 0.00 -4.00 0.00 0.00 32.58 25.24 2jrj s HIS 41 CO -0.10 -2.58 1.42 0.00 -1.00 0.00 0.00 174.74 172.48 2jrj h ARG 42 N -1.67 -0.22 -0.04 -0.38 2.47 -1.95 -1.55 114.38 111.04 2jrj h ARG 42 Ca -0.52 0.02 -0.00 0.00 -1.26 0.00 0.00 59.98 58.21 2jrj h ARG 42 Cb 1.32 0.05 -0.00 0.00 -1.65 0.00 0.00 29.97 29.69 2jrj h ARG 42 CO 0.59 -0.15 0.01 1.15 0.56 0.00 0.00 179.97 182.13 2jrj h THR 43 N -0.23 1.19 -0.25 2.04 2.02 -2.00 -2.99 112.91 112.69 2jrj h THR 43 Ca 0.07 -0.59 0.07 0.00 0.77 0.00 0.00 66.41 66.74 2jrj h THR 43 Cb 0.42 1.51 -0.01 0.00 -1.74 0.00 0.00 68.15 68.34 2jrj h THR 43 CO -0.53 0.16 0.23 0.00 0.37 0.00 0.00 175.52 175.75 2jrj h TYR 45 N 0.00 -0.20 -0.24 0.00 3.20 -1.14 -1.51 116.97 117.09 2jrj h TYR 45 Ca 0.12 0.01 -0.19 0.00 3.14 0.00 0.00 58.73 61.80 2jrj h TYR 45 Cb 0.58 0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.94 2jrj h TYR 45 CO 0.00 -0.12 -0.60 0.93 -1.64 0.00 0.00 178.16 176.72 2jrj h GLU 46 N -0.15 0.79 0.46 1.82 4.39 -0.71 -1.79 114.58 119.39 2jrj h GLU 46 Ca 0.03 -0.53 -0.01 0.00 0.34 0.00 0.00 59.36 59.18 2jrj h GLU 46 Cb 0.18 0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.89 2jrj h GLU 46 CO -0.07 1.16 -0.33 0.93 -1.16 0.00 0.00 179.01 179.54 2jrj h GLU 47 N 0.59 -0.75 -0.39 2.33 5.08 -0.93 0.28 114.58 120.80 2jrj h GLU 47 Ca -0.00 0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.39 2jrj h GLU 47 Cb 1.21 0.17 -0.02 0.00 0.50 0.00 0.00 28.75 30.61 2jrj h GLU 47 CO 0.13 -0.50 0.16 1.98 -1.00 0.00 0.00 179.01 179.77 2jrj h MET 48 N -0.78 0.59 -0.07 2.33 4.05 -1.30 -1.84 114.93 117.90 2jrj h MET 48 Ca -0.05 -0.11 -0.07 0.00 -0.28 0.00 0.00 59.70 59.19 2jrj h MET 48 Cb 0.66 -0.10 -0.01 0.00 -0.80 0.00 0.00 31.60 31.35 2jrj h MET 48 CO 0.02 0.56 -0.29 1.25 0.23 0.00 0.00 176.91 178.68 2jrj h LEU 49 N 0.49 0.13 -0.08 3.39 5.85 -1.23 0.10 115.31 123.96 2jrj h LEU 49 Ca 0.13 -0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 2jrj h LEU 49 Cb 0.19 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.18 2jrj h LEU 49 CO -0.01 0.42 -0.05 0.50 -0.34 0.00 0.00 178.44 178.96 2jrj h LYS 50 N 0.12 0.17 -0.45 1.25 3.64 -0.02 -3.09 116.57 118.19 2jrj h LYS 50 Ca 0.02 -0.08 -0.06 0.00 -1.27 0.00 0.00 60.65 59.25 2jrj h LYS 50 Cb 0.57 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.37 2jrj h LYS 50 CO 0.04 0.56 0.01 0.93 -2.27 0.00 0.00 179.45 178.72 2jrj h GLU 51 N -0.22 0.73 -1.31 1.90 4.39 -1.10 -3.47 114.58 115.50 2jrj h GLU 51 Ca 0.02 -0.18 -0.19 0.00 0.34 0.00 0.00 59.36 59.35 2jrj h GLU 51 Cb 0.51 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.06 2jrj h GLU 51 CO 0.01 0.73 -0.24 0.41 -1.16 0.00 0.00 179.01 178.77 2jrj n GLY 52 N -0.72 0.00 3.95 -3.84 0.00 0.33 -5.03 105.19 99.88 2jrj n GLY 52 Ca 0.02 -0.50 -0.24 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.46 2.90 0.10 1.61 1.13 -1.25 -5.02 117.35 114.35 2jrj s TYR 53 Ca 0.00 0.23 -0.31 0.00 -1.41 0.00 0.00 57.07 55.58 2jrj s TYR 53 Cb 0.00 -2.97 -0.09 0.00 -1.10 0.00 0.00 41.96 37.80 2jrj s TYR 53 CO 0.00 -1.14 1.68 1.03 -2.51 0.00 0.00 175.55 174.61 2jrj s ARG 54 N -5.01 4.19 -0.32 -3.49 0.52 -1.26 -4.88 118.95 108.70 2jrj s ARG 54 Ca 0.59 2.39 -0.31 0.00 -0.52 0.00 0.00 55.73 57.88 2jrj s ARG 54 Cb -0.11 -3.53 -0.08 0.00 0.52 0.00 0.00 34.95 31.75 2jrj s ARG 54 CO 0.42 -0.74 2.24 0.00 0.02 0.00 0.00 175.30 177.24 2jrj h PRO 56 N 14.34 0.00 0.00 0.00 0.13 -1.99 -1.67 132.00 142.81 2jrj h PRO 56 Ca -0.33 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 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 1.01 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 180.06 2jrj n LEU 57 N -2.68 0.00 0.22 1.56 4.32 -1.26 -2.20 117.00 116.96 2jrj n LEU 57 Ca -0.00 0.42 0.09 0.00 -0.02 0.00 0.00 56.01 56.50 2jrj n LEU 57 Cb 0.17 -0.42 0.43 0.00 -1.62 0.00 0.00 43.42 41.98 2jrj n LEU 57 CO 0.20 -0.16 0.78 0.00 -1.22 0.00 0.00 177.39 176.99 2jrj h MET 59 N 0.00 0.00 -7.22 0.00 1.85 -1.66 -3.45 114.93 104.45 2jrj h MET 59 Ca -0.00 0.00 -0.52 0.00 -0.61 0.00 0.00 59.70 58.57 2jrj h MET 59 Cb 0.79 0.00 0.14 0.00 0.43 0.00 0.00 31.60 32.96 2jrj h MET 59 CO 0.03 0.45 0.35 -3.38 -0.40 0.00 0.00 176.91 173.96 2jrj s HIS 60 N -3.73 2.26 -2.73 1.39 -0.00 -0.96 -5.21 115.29 106.31 2jrj s HIS 60 Ca -0.01 1.61 0.22 0.00 -0.00 0.00 0.00 55.06 56.87 2jrj s HIS 60 Cb 0.12 -3.29 0.17 0.00 -0.00 0.00 0.00 32.58 29.59 2jrj s HIS 60 CO 0.72 -2.20 1.19 0.45 -0.00 0.00 0.00 174.74 174.89