#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ffm n ASP 46 N 0.00 4.75 0.00 6.43 8.00 -1.26 -5.05 116.55 129.42 1ffm n ASP 46 Ca 0.00 -3.72 0.00 0.00 0.71 0.00 0.00 54.79 51.78 1ffm n ASP 46 Cb 0.00 -0.43 0.00 0.00 -0.02 0.00 0.00 41.12 40.67 1ffm n ASP 46 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ffm n GLY 47 N -0.53 -2.70 3.09 0.44 0.00 -1.26 -3.95 105.19 100.28 1ffm n GLY 47 Ca 0.40 -1.14 -0.36 0.00 0.00 0.00 0.00 46.02 44.93 1ffm n GLY 47 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ffm s ASP 48 N -1.54 5.16 -0.34 1.61 1.11 -1.26 -4.90 116.67 116.51 1ffm s ASP 48 Ca 0.00 -2.42 0.06 0.00 0.18 0.00 0.00 52.55 50.36 1ffm s ASP 48 Cb 0.00 -1.82 0.61 0.00 1.07 0.00 0.00 42.92 42.78 1ffm s ASP 48 CO 0.00 -0.45 1.74 0.00 1.18 0.00 0.00 175.17 177.64 1ffm n GLN 49 N 4.05 2.65 -2.47 8.23 3.00 -1.26 -4.31 117.38 127.26 1ffm n GLN 49 Ca 0.02 -2.61 -0.13 0.00 -0.01 0.00 0.00 57.00 54.27 1ffm n GLN 49 Cb 0.39 -2.05 0.03 0.00 0.00 0.00 0.00 30.24 28.61 1ffm n GLN 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1ffm n ALA 51 N -0.56 0.81 -0.82 0.00 0.00 -1.26 -4.26 120.51 114.42 1ffm n ALA 51 Ca 0.25 -0.52 0.04 0.00 0.00 0.00 0.00 53.44 53.21 1ffm n ALA 51 Cb 0.85 -0.59 0.37 0.00 0.00 0.00 0.00 19.45 20.08 1ffm n ALA 51 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1ffm n SER 52 N -4.18 5.36 -3.09 0.00 7.64 -1.26 -4.99 113.62 113.10 1ffm n SER 52 Ca -0.32 -2.94 -0.15 0.00 1.01 0.00 0.00 58.87 56.47 1ffm n SER 52 Cb 0.78 -0.69 0.02 0.00 -1.01 0.00 0.00 64.21 63.31 1ffm n SER 52 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1ffm n SER 53 N 0.46 -6.97 0.20 6.43 7.64 -1.26 -4.87 113.62 115.25 1ffm n SER 53 Ca 0.29 0.46 0.07 0.00 1.01 0.00 0.00 58.87 60.70 1ffm n SER 53 Cb 1.19 -3.59 0.36 0.00 -1.01 0.00 0.00 64.21 61.17 1ffm n SER 53 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1ffm h PRO 54 N 2.48 0.00 -7.19 1.43 0.13 -1.92 -3.45 132.00 123.48 1ffm h PRO 54 Ca -0.18 0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 64.48 1ffm h PRO 54 Cb 0.95 0.00 0.21 0.00 0.13 0.00 0.00 31.00 32.29 1ffm h PRO 54 CO 0.16 0.31 0.09 0.00 -0.23 0.00 0.00 178.00 178.33 1ffm s GLN 56 N -4.52 1.61 -1.39 0.00 0.74 0.14 -4.79 119.66 111.45 1ffm s GLN 56 Ca 0.68 -1.90 -0.04 0.00 0.05 0.00 0.00 55.36 54.15 1ffm s GLN 56 Cb -0.24 0.31 0.03 0.00 1.10 0.00 0.00 33.01 34.21 1ffm s GLN 56 CO 0.62 -0.58 0.76 0.09 -0.55 0.00 0.00 175.29 175.63 1ffm n ASN 57 N -1.19 -2.18 -2.46 6.67 3.02 -1.22 -0.83 115.26 117.07 1ffm n ASN 57 Ca 0.06 -0.82 -0.21 0.00 -0.03 0.00 0.00 54.58 53.58 1ffm n ASN 57 Cb 0.63 -3.91 0.00 0.00 -0.61 0.00 0.00 39.78 35.89 1ffm n ASN 57 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ffm n GLY 58 N -1.65 -0.48 3.79 7.41 0.00 -1.26 -4.95 105.19 108.06 1ffm n GLY 58 Ca -0.20 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.47 1ffm n GLY 58 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ffm s GLY 59 N -2.22 2.63 -0.19 -0.02 0.00 -0.01 -4.94 107.32 102.57 1ffm s GLY 59 Ca 0.06 0.63 -0.20 0.00 0.00 0.00 0.00 44.72 45.22 1ffm s GLY 59 CO 0.08 1.01 0.59 -0.56 0.00 0.00 0.00 173.10 174.22 1ffm s SER 60 N -1.77 6.66 0.01 1.64 0.01 0.19 -4.69 113.70 115.74 1ffm s SER 60 Ca 0.61 0.80 -0.19 0.00 1.31 0.00 0.00 55.95 58.48 1ffm s SER 60 Cb -0.19 -2.33 -0.06 0.00 0.21 0.00 0.00 66.02 63.66 1ffm s SER 60 CO 0.23 -0.23 0.55 0.00 0.41 0.00 0.00 173.24 174.20 1ffm s LYS 62 N -0.47 0.34 -0.12 0.00 2.20 -0.63 -4.95 119.74 116.11 1ffm s LYS 62 Ca 0.29 0.18 -0.29 0.00 -0.36 0.00 0.00 55.97 55.78 1ffm s LYS 62 Cb -0.18 -0.72 -0.03 0.00 -1.51 0.00 0.00 37.83 35.38 1ffm s LYS 62 CO 0.16 -0.27 1.43 0.16 -0.36 0.00 0.00 175.35 176.47 1ffm s ASP 63 N 1.81 6.82 0.40 1.43 -4.77 -1.26 -1.94 116.67 119.15 1ffm s ASP 63 Ca 0.01 1.90 0.00 0.00 -3.30 0.00 0.00 52.55 51.16 1ffm s ASP 63 Cb -0.12 -2.54 -0.00 0.00 -1.09 0.00 0.00 42.92 39.17 1ffm s ASP 63 CO -0.04 -0.84 0.00 0.00 0.70 0.00 0.00 175.17 174.99 1ffm n GLN 64 N 6.85 1.04 -1.83 2.11 1.13 -1.14 -4.95 117.38 120.59 1ffm n GLN 64 Ca 0.15 -2.88 -0.39 0.00 -1.94 0.00 0.00 57.00 51.94 1ffm n GLN 64 Cb 0.44 0.77 0.02 0.00 0.11 0.00 0.00 30.24 31.58 1ffm n GLN 64 CO 0.00 0.00 0.00 -1.17 -1.44 0.00 0.00 177.06 174.45 1ffm s LEU 65 N 0.00 4.04 0.00 1.08 2.96 -1.26 -4.25 118.68 121.25 1ffm s LEU 65 Ca 0.00 2.84 0.00 0.00 -0.22 0.00 0.00 54.13 56.75 1ffm s LEU 65 Cb 0.00 -4.04 0.00 0.00 0.50 0.00 0.00 46.19 42.65 1ffm s LEU 65 CO 0.00 -1.26 0.00 0.00 -1.32 0.00 0.00 176.35 173.77 1ffm n GLN 66 N -0.43 0.00 0.00 1.98 6.02 -1.25 -4.56 117.38 119.14 1ffm n GLN 66 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.06 1ffm n GLN 66 Cb 0.43 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.69 1ffm n GLN 66 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 1ffm n SER 67 N 1.87 0.00 -1.56 1.08 7.64 -1.26 -4.83 113.62 116.56 1ffm n SER 67 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1ffm n SER 67 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1ffm n SER 67 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ffm n TYR 68 N 0.00 0.00 -3.75 1.43 4.11 -1.26 -2.89 117.16 114.79 1ffm n TYR 68 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 57.90 57.78 1ffm n TYR 68 Cb 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 39.34 39.22 1ffm n TYR 68 CO 0.00 0.00 0.00 -1.50 -0.00 0.00 0.00 176.86 175.36 1ffm s ILE 69 N -1.43 -0.01 -0.36 -3.48 2.07 -0.82 -4.81 121.20 112.35 1ffm s ILE 69 Ca 0.00 0.05 -0.12 0.00 -1.41 0.00 0.00 60.65 59.17 1ffm s ILE 69 Cb 0.00 -0.44 0.01 0.00 0.13 0.00 0.00 42.46 42.16 1ffm s ILE 69 CO 0.00 0.02 0.22 0.00 -1.91 0.00 0.00 174.94 173.27 1ffm s PHE 71 N 1.63 3.14 0.00 0.00 0.08 0.24 -4.81 117.98 118.26 1ffm s PHE 71 Ca 0.04 0.40 0.00 0.00 0.12 0.00 0.00 56.93 57.49 1ffm s PHE 71 Cb -0.18 -3.21 0.00 0.00 -0.57 0.00 0.00 43.02 39.06 1ffm s PHE 71 CO 0.08 -0.65 0.00 0.00 -0.10 0.00 0.00 175.22 174.55 1ffm s LEU 73 N 0.00 3.21 0.40 0.00 1.43 -1.26 -4.95 118.68 117.51 1ffm s LEU 73 Ca 0.00 1.05 0.29 0.00 -1.03 0.00 0.00 54.13 54.44 1ffm s LEU 73 Cb 0.00 -3.95 1.29 0.00 0.03 0.00 0.00 46.19 43.56 1ffm s LEU 73 CO 0.00 -1.01 1.86 1.55 0.23 0.00 0.00 176.35 178.98 1ffm h PRO 74 N -0.28 0.00 -0.52 1.29 0.13 -2.03 -2.24 132.00 128.35 1ffm h PRO 74 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1ffm h PRO 74 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1ffm h PRO 74 CO 0.62 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.39 1ffm n ALA 75 N -1.90 2.70 -2.46 -0.56 0.00 -1.26 -4.88 120.51 112.16 1ffm n ALA 75 Ca 0.00 -0.76 -0.24 0.00 0.00 0.00 0.00 53.44 52.45 1ffm n ALA 75 Cb 0.20 -1.00 -0.12 0.00 0.00 0.00 0.00 19.45 18.53 1ffm n ALA 75 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1ffm s PHE 76 N -1.63 1.97 0.26 0.00 0.40 -0.84 -0.67 117.98 117.47 1ffm s PHE 76 Ca 0.26 -0.43 -0.04 0.00 -0.60 0.00 0.00 56.93 56.12 1ffm s PHE 76 Cb 0.16 -1.00 -0.02 0.00 0.51 0.00 0.00 43.02 42.67 1ffm s PHE 76 CO 0.14 0.37 0.34 -2.00 0.70 0.00 0.00 175.22 174.76 1ffm s GLU 77 N -2.62 1.54 0.00 0.44 2.12 -0.31 -4.84 118.70 115.03 1ffm s GLU 77 Ca 0.16 -1.58 0.00 0.00 0.36 0.00 0.00 54.97 53.91 1ffm s GLU 77 Cb -0.07 0.38 0.00 0.00 0.26 0.00 0.00 34.13 34.70 1ffm s GLU 77 CO 0.07 -0.60 0.00 0.41 -0.54 0.00 0.00 175.26 174.61 1ffm n GLY 78 N -0.41 2.77 0.31 -1.50 0.00 -1.26 -0.91 105.19 104.18 1ffm n GLY 78 Ca 0.01 -1.83 -0.05 0.00 0.00 0.00 0.00 46.02 44.15 1ffm n GLY 78 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1ffm h ARG 79 N 0.00 1.05 -0.55 1.61 9.65 -2.01 -2.63 114.38 121.49 1ffm h ARG 79 Ca 0.00 -0.09 -0.29 0.00 -1.10 0.00 0.00 59.98 58.50 1ffm h ARG 79 Cb 0.00 -0.22 -0.17 0.00 -1.39 0.00 0.00 29.97 28.19 1ffm h ARG 79 CO 0.00 0.74 0.14 0.09 2.80 0.00 0.00 179.97 183.74 1ffm n ASN 80 N -4.49 2.85 -3.62 -3.80 5.03 -1.26 -4.73 115.26 105.24 1ffm n ASN 80 Ca 0.07 -3.75 -0.23 0.00 0.87 0.00 0.00 54.58 51.54 1ffm n ASN 80 Cb 0.06 -0.70 0.04 0.00 -1.02 0.00 0.00 39.78 38.16 1ffm n ASN 80 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1ffm n GLU 82 N -4.06 1.51 -3.55 0.00 0.28 -0.99 -3.41 120.64 110.41 1ffm n GLU 82 Ca -0.20 -3.04 -0.29 0.00 -0.16 0.00 0.00 57.16 53.48 1ffm n GLU 82 Cb 0.64 -1.59 -0.12 0.00 1.43 0.00 0.00 31.44 31.80 1ffm n GLU 82 CO 0.00 0.00 0.00 0.99 -0.16 0.00 0.00 177.13 177.96 1ffm s THR 83 N -3.11 0.71 0.01 3.84 2.01 -0.09 -4.97 115.64 114.04 1ffm s THR 83 Ca 0.36 -2.24 -0.30 0.00 0.31 0.00 0.00 61.69 59.82 1ffm s THR 83 Cb 0.34 -1.50 -0.08 0.00 0.01 0.00 0.00 72.50 71.26 1ffm s THR 83 CO -0.03 -1.00 1.92 -2.28 -0.69 0.00 0.00 174.62 172.55 1ffm s HIS 84 N 0.58 1.39 -1.24 4.92 2.46 -1.26 -1.16 115.29 120.97 1ffm s HIS 84 Ca 0.20 -0.32 -0.17 0.00 0.47 0.00 0.00 55.06 55.25 1ffm s HIS 84 Cb -0.19 -4.18 0.11 0.00 -0.13 0.00 0.00 32.58 28.19 1ffm s HIS 84 CO -0.03 -5.23 1.60 0.15 -2.47 0.00 0.00 174.74 168.76 1ffm s LYS 85 N 4.47 3.99 -0.75 2.88 -0.14 0.16 -4.92 119.74 125.43 1ffm s LYS 85 Ca 0.86 -2.15 -0.14 0.00 -1.36 0.00 0.00 55.97 53.18 1ffm s LYS 85 Cb -0.41 -5.35 0.20 0.00 -1.68 0.00 0.00 37.83 30.59 1ffm s LYS 85 CO 0.39 -2.07 0.69 0.34 -0.76 0.00 0.00 175.35 173.95 1ffm s ASP 86 N 3.76 6.60 0.06 2.83 2.15 -1.26 -4.81 116.67 126.00 1ffm s ASP 86 Ca 0.49 -2.47 -0.00 0.00 0.43 0.00 0.00 52.55 51.00 1ffm s ASP 86 Cb 0.01 -2.20 -0.00 0.00 -0.30 0.00 0.00 42.92 40.43 1ffm s ASP 86 CO 0.04 -0.64 -0.01 0.47 -0.17 0.00 0.00 175.17 174.86 1ffm n ASP 87 N 4.29 0.79 0.00 -0.34 9.92 -1.26 -4.99 116.55 124.95 1ffm n ASP 87 Ca 0.07 0.10 0.00 0.00 -0.53 0.00 0.00 54.79 54.43 1ffm n ASP 87 Cb 0.45 -0.25 0.00 0.00 -0.64 0.00 0.00 41.12 40.69 1ffm n ASP 87 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1ffm n GLY 88 N 3.45 1.12 0.08 0.44 0.00 -1.26 -3.01 105.19 106.00 1ffm n GLY 88 Ca -0.00 0.34 -0.06 0.00 0.00 0.00 0.00 46.02 46.30 1ffm n GLY 88 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1ffm h SER 89 N 0.00 0.00 0.00 1.61 0.02 -2.03 -3.57 113.55 109.58 1ffm h SER 89 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1ffm h SER 89 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1ffm h SER 89 CO 0.00 0.91 0.00 0.00 -1.14 0.00 0.00 176.83 176.60