#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fbz h PRO 2 N 0.00 0.05 -2.33 5.31 0.11 -2.09 -3.30 132.00 129.76 1fbz h PRO 2 Ca 0.00 -0.00 -0.58 0.00 0.11 0.00 0.00 66.00 65.53 1fbz h PRO 2 Cb 0.00 -0.01 -0.38 0.00 0.11 0.00 0.00 31.00 30.72 1fbz h PRO 2 CO 0.00 0.03 -0.97 -0.85 -0.21 0.00 0.00 178.00 176.00 1fbz n GLU 3 N -5.10 0.20 0.00 1.05 0.00 -1.26 -4.94 120.64 110.59 1fbz n GLU 3 Ca 0.37 -3.15 0.07 0.00 0.00 0.00 0.00 57.16 54.46 1fbz n GLU 3 Cb 1.30 -1.66 0.32 0.00 0.00 0.00 0.00 31.44 31.41 1fbz n GLU 3 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.13 176.78 1fbz n PRO 4 N 2.82 0.04 0.01 3.44 -0.04 -1.25 -2.28 135.00 137.74 1fbz n PRO 4 Ca 0.30 0.23 0.01 0.00 -0.04 0.00 0.00 63.50 64.00 1fbz n PRO 4 Cb 0.48 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.34 1fbz n PRO 4 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1fbz n TRP 5 N -1.46 0.71 -2.22 0.54 4.27 -1.26 -4.45 117.44 113.57 1fbz n TRP 5 Ca 0.04 0.23 -0.32 0.00 -3.89 0.00 0.00 57.50 53.56 1fbz n TRP 5 Cb 0.16 -0.98 -0.04 0.00 -1.36 0.00 0.00 31.31 29.08 1fbz n TRP 5 CO 0.00 0.00 0.00 0.12 -2.29 0.00 0.00 177.69 175.52 1fbz s PHE 6 N -2.98 2.18 -1.18 -2.67 5.36 -0.97 -0.61 117.98 117.11 1fbz s PHE 6 Ca -0.04 -0.11 -0.05 0.00 -0.96 0.00 0.00 56.93 55.76 1fbz s PHE 6 Cb 0.09 -4.23 0.23 0.00 -0.34 0.00 0.00 43.02 38.77 1fbz s PHE 6 CO 0.83 -1.43 1.90 1.19 -1.46 0.00 0.00 175.22 176.25 1fbz n PHE 7 N 12.59 2.61 -0.28 10.12 3.01 -1.15 -4.87 117.46 139.49 1fbz n PHE 7 Ca 0.45 -2.68 0.02 0.00 1.01 0.00 0.00 57.45 56.25 1fbz n PHE 7 Cb 0.47 -1.55 0.09 0.00 -0.01 0.00 0.00 39.48 38.47 1fbz n PHE 7 CO 0.00 0.00 0.00 -0.22 1.01 0.00 0.00 176.76 177.55 1fbz h LYS 8 N 4.97 -0.01 -0.67 -1.08 3.64 -1.87 -2.73 116.57 118.83 1fbz h LYS 8 Ca 0.46 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.84 1fbz h LYS 8 Cb 0.46 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.28 1fbz h LYS 8 CO 1.40 -0.01 0.00 0.09 -2.27 0.00 0.00 179.45 178.67 1fbz n ASN 9 N -5.52 3.34 -4.79 4.20 3.02 -1.26 -1.94 115.26 112.31 1fbz n ASN 9 Ca 0.11 -2.39 -0.38 0.00 -0.03 0.00 0.00 54.58 51.90 1fbz n ASN 9 Cb 0.40 -0.52 -0.06 0.00 -0.61 0.00 0.00 39.78 39.00 1fbz n ASN 9 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1fbz s LEU 10 N -1.43 4.45 0.45 3.41 2.96 -1.03 -5.04 118.68 122.45 1fbz s LEU 10 Ca 0.31 1.60 -0.08 0.00 -0.22 0.00 0.00 54.13 55.73 1fbz s LEU 10 Cb 0.21 -3.54 -0.05 0.00 0.50 0.00 0.00 46.19 43.31 1fbz s LEU 10 CO 0.12 0.09 0.79 -0.94 -1.32 0.00 0.00 176.35 175.09 1fbz s SER 11 N -1.43 6.39 0.08 3.68 1.04 -1.26 -4.63 113.70 117.56 1fbz s SER 11 Ca 0.41 1.04 -0.18 0.00 0.48 0.00 0.00 55.95 57.71 1fbz s SER 11 Cb -0.20 -2.29 -0.05 0.00 0.10 0.00 0.00 66.02 63.58 1fbz s SER 11 CO 0.24 -0.50 1.30 0.03 0.98 0.00 0.00 173.24 175.28 1fbz h ARG 12 N 0.71 -0.10 -0.78 4.02 2.47 -1.97 0.21 114.38 118.94 1fbz h ARG 12 Ca -0.47 0.01 0.14 0.00 -1.26 0.00 0.00 59.98 58.40 1fbz h ARG 12 Cb 1.20 0.02 -0.09 0.00 -1.65 0.00 0.00 29.97 29.45 1fbz h ARG 12 CO 0.63 -0.07 0.34 0.87 0.56 0.00 0.00 179.97 182.30 1fbz h LYS 13 N -0.11 0.49 0.00 0.04 1.57 -2.00 0.98 116.57 117.54 1fbz h LYS 13 Ca 0.06 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.77 1fbz h LYS 13 Cb 0.27 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 1fbz h LYS 13 CO -0.42 0.32 -0.20 -0.44 -0.57 0.00 0.00 179.45 178.14 1fbz h ASP 14 N 0.50 0.00 0.15 0.86 5.19 -1.51 -2.34 116.42 119.27 1fbz h ASP 14 Ca 0.43 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.83 1fbz h ASP 14 Cb 0.62 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.14 1fbz h ASP 14 CO -0.38 0.20 -0.07 0.00 -3.12 0.00 0.00 179.24 175.86 1fbz h ALA 15 N 1.80 -0.20 0.28 3.45 0.00 0.19 -2.40 119.26 122.38 1fbz h ALA 15 Ca -0.00 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1fbz h ALA 15 Cb 0.56 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 1fbz h ALA 15 CO 0.03 -0.34 -0.31 0.93 0.00 0.00 0.00 179.25 179.56 1fbz h GLU 16 N -0.74 -0.61 -0.81 0.00 5.08 -1.30 -0.28 114.58 115.92 1fbz h GLU 16 Ca -0.02 0.04 0.11 0.00 -1.00 0.00 0.00 59.36 58.49 1fbz h GLU 16 Cb 0.52 0.14 -0.06 0.00 0.50 0.00 0.00 28.75 29.85 1fbz h GLU 16 CO 0.03 -0.40 0.53 0.00 -1.00 0.00 0.00 179.01 178.17 1fbz h ARG 17 N -0.63 0.66 -0.11 2.33 3.08 -1.54 -0.76 114.38 117.40 1fbz h ARG 17 Ca -0.01 -0.04 -0.08 0.00 0.07 0.00 0.00 59.98 59.93 1fbz h ARG 17 Cb 0.58 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.49 1fbz h ARG 17 CO -0.08 0.43 -0.22 0.37 -1.07 0.00 0.00 179.97 179.41 1fbz h GLN 18 N 0.68 0.35 -0.32 0.04 5.75 -0.87 -3.16 115.11 117.58 1fbz h GLN 18 Ca 0.38 -0.23 -0.01 0.00 -0.15 0.00 0.00 58.65 58.65 1fbz h GLN 18 Cb 0.56 0.03 -0.01 0.00 1.07 0.00 0.00 27.48 29.12 1fbz h GLN 18 CO -0.15 0.82 0.17 -0.07 -2.65 0.00 0.00 178.83 176.95 1fbz h LEU 19 N -0.08 0.40 -0.68 -2.39 3.38 -0.50 -2.25 115.31 113.20 1fbz h LEU 19 Ca 0.00 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1fbz h LEU 19 Cb 0.81 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.46 1fbz h LEU 19 CO 0.05 0.39 0.00 0.18 0.09 0.00 0.00 178.44 179.15 1fbz n LEU 20 N -4.79 0.47 -4.87 1.67 4.77 -0.34 -4.58 117.00 109.34 1fbz n LEU 20 Ca -0.01 -0.24 -0.28 0.00 -0.03 0.00 0.00 56.01 55.45 1fbz n LEU 20 Cb 0.09 -0.24 -0.04 0.00 -2.33 0.00 0.00 43.42 40.90 1fbz n LEU 20 CO 0.35 0.12 -0.17 0.00 -1.33 0.00 0.00 177.39 176.36 1fbz s ALA 21 N -1.32 3.79 0.38 -1.18 0.00 -0.85 -5.03 121.76 117.55 1fbz s ALA 21 Ca 0.00 -1.06 -0.20 0.00 0.00 0.00 0.00 51.96 50.70 1fbz s ALA 21 Cb 0.00 -1.61 -0.15 0.00 0.00 0.00 0.00 23.12 21.36 1fbz s ALA 21 CO 0.00 0.60 0.09 -2.30 0.00 0.00 0.00 175.76 174.16 1fbz n PRO 22 N -0.20 0.00 -0.58 0.00 -0.02 -1.26 -2.72 135.00 130.22 1fbz n PRO 22 Ca -0.07 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.41 1fbz n PRO 22 Cb 0.53 -0.96 0.00 0.00 -0.02 0.00 0.00 33.50 33.06 1fbz n PRO 22 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1fbz n GLY 23 N 2.23 0.79 3.62 -1.23 0.00 -1.26 -4.83 105.19 104.50 1fbz n GLY 23 Ca 0.11 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.86 1fbz n GLY 23 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1fbz s ASN 24 N -3.00 3.92 0.00 1.61 0.01 -1.10 -4.68 114.94 111.70 1fbz s ASN 24 Ca 0.00 -1.30 0.00 0.00 -0.71 0.00 0.00 52.86 50.85 1fbz s ASN 24 Cb 0.00 -0.40 0.00 0.00 0.41 0.00 0.00 41.25 41.26 1fbz s ASN 24 CO 0.00 -0.41 0.00 0.35 -1.51 0.00 0.00 177.10 175.53 1fbz n THR 25 N -0.96 0.00 -1.86 1.60 -2.24 -1.26 -4.98 114.28 104.58 1fbz n THR 25 Ca -0.05 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.31 1fbz n THR 25 Cb 0.66 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.86 1fbz n THR 25 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1fbz s HIS 26 N -4.22 2.55 0.00 4.78 3.76 -1.26 -1.35 115.29 119.55 1fbz s HIS 26 Ca 0.00 0.31 0.00 0.00 -0.15 0.00 0.00 55.06 55.22 1fbz s HIS 26 Cb 0.00 -4.03 0.00 0.00 1.11 0.00 0.00 32.58 29.66 1fbz s HIS 26 CO 0.00 -4.06 0.00 0.41 -0.85 0.00 0.00 174.74 170.24 1fbz n GLY 27 N 4.00 1.24 3.71 -2.22 0.00 -0.76 -4.53 105.19 106.64 1fbz n GLY 27 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 1fbz n GLY 27 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1fbz s SER 28 N -3.05 6.78 0.24 1.61 0.01 -0.46 -1.62 113.70 117.21 1fbz s SER 28 Ca 0.00 2.32 0.03 0.00 1.31 0.00 0.00 55.95 59.61 1fbz s SER 28 Cb 0.00 -2.58 -0.01 0.00 0.21 0.00 0.00 66.02 63.64 1fbz s SER 28 CO 0.00 -0.71 0.25 2.22 0.41 0.00 0.00 173.24 175.41 1fbz n PHE 29 N 4.49 -0.76 -3.54 2.43 -0.00 -0.97 -1.25 117.46 117.86 1fbz n PHE 29 Ca 0.13 -1.90 -0.10 0.00 -0.00 0.00 0.00 57.45 55.57 1fbz n PHE 29 Cb 0.42 0.27 -0.04 0.00 -0.00 0.00 0.00 39.48 40.13 1fbz n PHE 29 CO 0.00 0.00 0.00 -0.48 -0.00 0.00 0.00 176.76 176.28 1fbz s LEU 30 N 0.00 -0.38 -0.36 5.98 0.05 -0.65 0.26 118.68 123.58 1fbz s LEU 30 Ca 0.26 0.21 0.01 0.00 0.05 0.00 0.00 54.13 54.66 1fbz s LEU 30 Cb 0.01 1.97 0.10 0.00 -2.05 0.00 0.00 46.19 46.22 1fbz s LEU 30 CO 0.19 -0.50 0.10 -0.63 -0.55 0.00 0.00 176.35 174.96 1fbz s ILE 31 N -2.16 2.75 0.25 1.48 1.01 0.22 -0.19 121.20 124.57 1fbz s ILE 31 Ca 0.01 -2.13 0.03 0.00 0.00 0.00 0.00 60.65 58.57 1fbz s ILE 31 Cb -0.01 -2.91 -0.03 0.00 0.01 0.00 0.00 42.46 39.52 1fbz s ILE 31 CO -0.03 -0.58 0.39 0.00 0.00 0.00 0.00 174.94 174.72 1fbz s ARG 32 N 1.04 3.46 0.50 2.79 1.70 0.74 -2.95 118.95 126.22 1fbz s ARG 32 Ca 0.08 -0.61 -0.21 0.00 -0.47 0.00 0.00 55.73 54.51 1fbz s ARG 32 Cb -0.21 -2.85 -0.07 0.00 -0.57 0.00 0.00 34.95 31.26 1fbz s ARG 32 CO -0.06 0.38 1.15 -2.00 -1.08 0.00 0.00 175.30 173.69 1fbz s GLU 33 N -3.89 3.58 0.30 3.89 2.12 -0.82 0.01 118.70 123.90 1fbz s GLU 33 Ca 0.36 1.70 -0.30 0.00 0.36 0.00 0.00 54.97 57.09 1fbz s GLU 33 Cb -0.10 -2.23 -0.12 0.00 0.26 0.00 0.00 34.13 31.94 1fbz s GLU 33 CO 0.30 -0.68 1.44 -1.13 -0.54 0.00 0.00 175.26 174.65 1fbz n SER 34 N -0.84 3.21 -0.02 -1.70 3.41 0.37 -4.67 113.62 113.37 1fbz n SER 34 Ca 0.09 1.17 -0.01 0.00 -0.26 0.00 0.00 58.87 59.86 1fbz n SER 34 Cb 0.49 -1.52 -0.00 0.00 -0.26 0.00 0.00 64.21 62.92 1fbz n SER 34 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1fbz n GLU 35 N 1.45 0.12 -0.31 4.33 2.13 -1.26 -4.49 120.64 122.62 1fbz n GLU 35 Ca 0.07 0.30 0.13 0.00 0.66 0.00 0.00 57.16 58.33 1fbz n GLU 35 Cb 0.35 -0.98 0.30 0.00 0.27 0.00 0.00 31.44 31.38 1fbz n GLU 35 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1fbz h SER 36 N -0.27 0.34 -2.00 4.31 0.87 -2.01 -3.42 113.55 111.37 1fbz h SER 36 Ca 0.00 0.15 0.00 0.00 -1.23 0.00 0.00 61.79 60.71 1fbz h SER 36 Cb 0.14 0.13 0.00 0.00 -0.44 0.00 0.00 62.40 62.24 1fbz h SER 36 CO 0.00 0.01 0.00 0.35 -0.53 0.00 0.00 176.83 176.66 1fbz n THR 37 N -5.04 0.00 -3.95 2.23 -2.24 -1.26 -5.17 114.28 98.85 1fbz n THR 37 Ca 0.22 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.92 1fbz n THR 37 Cb 0.65 -0.06 -0.08 0.00 -2.10 0.00 0.00 70.33 68.73 1fbz n THR 37 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1fbz s ALA 38 N -2.00 0.06 0.00 6.98 0.00 -1.26 -4.66 121.76 120.87 1fbz s ALA 38 Ca 0.00 -0.85 0.00 0.00 0.00 0.00 0.00 51.96 51.11 1fbz s ALA 38 Cb 0.00 0.40 0.00 0.00 0.00 0.00 0.00 23.12 23.52 1fbz s ALA 38 CO 0.00 -0.46 0.00 0.41 0.00 0.00 0.00 175.76 175.71 1fbz n GLY 39 N 0.00 2.90 3.89 0.00 0.00 -1.26 -5.02 105.19 105.70 1fbz n GLY 39 Ca -0.15 -0.10 -0.21 0.00 0.00 0.00 0.00 46.02 45.57 1fbz n GLY 39 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1fbz s SER 40 N 0.73 5.68 0.35 1.61 0.01 -1.26 -4.94 113.70 115.88 1fbz s SER 40 Ca 0.00 -0.25 0.08 0.00 1.31 0.00 0.00 55.95 57.08 1fbz s SER 40 Cb 0.00 -1.34 -0.03 0.00 0.21 0.00 0.00 66.02 64.87 1fbz s SER 40 CO 0.00 -0.20 0.30 -0.36 0.41 0.00 0.00 173.24 173.39 1fbz s PHE 41 N -2.16 2.85 -0.02 2.43 0.40 -1.17 -0.48 117.98 119.83 1fbz s PHE 41 Ca 0.37 -0.35 0.01 0.00 -0.60 0.00 0.00 56.93 56.36 1fbz s PHE 41 Cb -0.08 -1.87 0.01 0.00 0.51 0.00 0.00 43.02 41.59 1fbz s PHE 41 CO 0.27 0.13 -0.02 0.00 0.70 0.00 0.00 175.22 176.30 1fbz s LEU 43 N 0.44 4.63 -0.23 0.00 2.96 0.44 -0.19 118.68 126.73 1fbz s LEU 43 Ca -0.04 -0.57 -0.09 0.00 -0.22 0.00 0.00 54.13 53.21 1fbz s LEU 43 Cb -0.07 -2.13 -0.04 0.00 0.50 0.00 0.00 46.19 44.45 1fbz s LEU 43 CO -0.01 -0.29 0.12 -0.44 -1.32 0.00 0.00 176.35 174.41 1fbz s SER 44 N 1.70 5.76 -0.05 3.68 0.01 0.74 -0.49 113.70 125.04 1fbz s SER 44 Ca 0.06 0.03 0.01 0.00 1.31 0.00 0.00 55.95 57.35 1fbz s SER 44 Cb -0.18 -2.03 0.02 0.00 0.21 0.00 0.00 66.02 64.05 1fbz s SER 44 CO 0.10 0.07 -0.04 0.54 0.41 0.00 0.00 173.24 174.31 1fbz s VAL 45 N 1.03 0.56 0.35 3.43 0.11 -0.11 -1.64 120.40 124.13 1fbz s VAL 45 Ca 0.06 -0.11 -0.27 0.00 -2.93 0.00 0.00 61.98 58.73 1fbz s VAL 45 Cb -0.14 -0.60 -0.09 0.00 -1.53 0.00 0.00 36.38 34.02 1fbz s VAL 45 CO 0.04 0.24 1.12 -0.60 -3.33 0.00 0.00 175.10 172.57 1fbz s ARG 46 N 1.10 4.30 0.07 1.54 3.52 -0.38 -1.32 118.95 127.77 1fbz s ARG 46 Ca -0.08 1.77 -0.17 0.00 -0.13 0.00 0.00 55.73 57.12 1fbz s ARG 46 Cb -0.14 -2.84 0.03 0.00 -1.56 0.00 0.00 34.95 30.44 1fbz s ARG 46 CO -0.01 -0.08 0.39 0.34 -0.81 0.00 0.00 175.30 175.13 1fbz s ASP 47 N -1.12 -0.24 -0.07 -2.12 2.15 -0.07 -1.82 116.67 113.38 1fbz s ASP 47 Ca 0.52 -0.13 -0.26 0.00 0.43 0.00 0.00 52.55 53.12 1fbz s ASP 47 Cb -0.29 0.43 -0.03 0.00 -0.30 0.00 0.00 42.92 42.73 1fbz s ASP 47 CO 0.37 -0.71 0.82 0.12 -0.17 0.00 0.00 175.17 175.60 1fbz s PHE 48 N -2.89 3.57 -0.21 -5.34 5.36 -1.26 -0.85 117.98 116.35 1fbz s PHE 48 Ca -0.03 1.40 -0.04 0.00 -0.96 0.00 0.00 56.93 57.30 1fbz s PHE 48 Cb 0.00 -2.96 0.07 0.00 -0.34 0.00 0.00 43.02 39.79 1fbz s PHE 48 CO -0.05 -0.02 0.09 0.34 -1.46 0.00 0.00 175.22 174.11 1fbz s ASP 49 N 0.95 2.84 0.17 6.13 3.68 -0.67 -4.97 116.67 124.80 1fbz s ASP 49 Ca 0.42 -0.88 0.11 0.00 2.13 0.00 0.00 52.55 54.34 1fbz s ASP 49 Cb -0.18 -0.38 0.60 0.00 -1.45 0.00 0.00 42.92 41.51 1fbz s ASP 49 CO 0.20 -0.37 0.67 0.00 0.13 0.00 0.00 175.17 175.81 1fbz n GLN 50 N 5.20 -0.02 0.00 4.34 3.00 -1.26 0.98 117.38 129.61 1fbz n GLN 50 Ca -0.07 0.57 0.00 0.00 -0.01 0.00 0.00 57.00 57.49 1fbz n GLN 50 Cb 0.47 -1.06 0.00 0.00 0.00 0.00 0.00 30.24 29.64 1fbz n GLN 50 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.06 175.35 1fbz n ASN 51 N -3.79 0.00 -1.78 1.08 5.15 -1.26 -4.31 115.26 110.35 1fbz n ASN 51 Ca 0.17 0.28 0.02 0.00 -0.60 0.00 0.00 54.58 54.45 1fbz n ASN 51 Cb 0.60 -0.03 0.33 0.00 -0.53 0.00 0.00 39.78 40.14 1fbz n ASN 51 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1fbz n GLN 52 N -0.60 4.09 0.00 1.20 0.00 -1.06 -5.03 117.38 115.98 1fbz n GLN 52 Ca 0.00 -2.75 0.00 0.00 0.00 0.00 0.00 57.00 54.25 1fbz n GLN 52 Cb 0.00 -2.16 0.00 0.00 0.00 0.00 0.00 30.24 28.08 1fbz n GLN 52 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1fbz n GLY 53 N 0.33 3.41 3.68 2.61 0.00 0.27 -4.68 105.19 110.81 1fbz n GLY 53 Ca 0.28 -0.08 -0.46 0.00 0.00 0.00 0.00 46.02 45.77 1fbz n GLY 53 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1fbz n GLU 54 N 14.00 2.43 -3.83 1.61 -0.58 -1.26 -1.66 120.64 131.35 1fbz n GLU 54 Ca 0.00 0.89 -0.17 0.00 -0.42 0.00 0.00 57.16 57.45 1fbz n GLU 54 Cb 0.00 -2.76 -0.06 0.00 -0.57 0.00 0.00 31.44 28.05 1fbz n GLU 54 CO 0.00 0.00 0.00 1.33 -0.48 0.00 0.00 177.13 177.98 1fbz n VAL 55 N 5.01 0.00 -4.15 2.62 0.24 -0.03 -4.95 118.33 117.06 1fbz n VAL 55 Ca 0.21 -1.91 -0.17 0.00 -2.04 0.00 0.00 64.34 60.43 1fbz n VAL 55 Cb 0.33 0.83 -0.15 0.00 -1.47 0.00 0.00 33.84 33.38 1fbz n VAL 55 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1fbz s VAL 56 N -2.93 0.44 0.11 3.34 1.01 -1.26 -0.89 120.40 120.21 1fbz s VAL 56 Ca 0.25 -0.17 0.07 0.00 0.00 0.00 0.00 61.98 62.12 1fbz s VAL 56 Cb 0.01 -0.42 -0.04 0.00 0.00 0.00 0.00 36.38 35.94 1fbz s VAL 56 CO 0.17 0.16 -0.17 -0.54 0.00 0.00 0.00 175.10 174.72 1fbz s LYS 57 N 0.29 1.04 -0.09 2.72 1.02 -0.44 -4.95 119.74 119.33 1fbz s LYS 57 Ca -0.03 -1.16 0.04 0.00 0.02 0.00 0.00 55.97 54.84 1fbz s LYS 57 Cb -0.07 -1.11 -0.01 0.00 -0.52 0.00 0.00 37.83 36.13 1fbz s LYS 57 CO -0.00 0.24 -0.23 -1.01 -0.92 0.00 0.00 175.35 173.43 1fbz s HIS 58 N -1.57 2.54 -0.18 3.18 3.76 -1.26 -0.93 115.29 120.83 1fbz s HIS 58 Ca 0.06 -0.88 -0.02 0.00 -0.15 0.00 0.00 55.06 54.08 1fbz s HIS 58 Cb -0.08 -1.68 -0.01 0.00 1.11 0.00 0.00 32.58 31.92 1fbz s HIS 58 CO 0.04 -0.31 -0.09 0.71 -0.85 0.00 0.00 174.74 174.23 1fbz s TYR 59 N 0.13 2.89 -0.23 1.40 1.51 0.36 -4.96 117.35 118.46 1fbz s TYR 59 Ca -0.12 -0.87 -0.29 0.00 -1.01 0.00 0.00 57.07 54.78 1fbz s TYR 59 Cb -0.16 -1.98 -0.00 0.00 -0.11 0.00 0.00 41.96 39.71 1fbz s TYR 59 CO 0.07 -0.42 1.21 0.21 -1.11 0.00 0.00 175.55 175.50 1fbz s LYS 60 N 0.98 4.14 -0.94 -0.62 2.47 -1.26 -0.42 119.74 124.09 1fbz s LYS 60 Ca -0.01 1.44 -0.17 0.00 -1.56 0.00 0.00 55.97 55.68 1fbz s LYS 60 Cb -0.15 -3.77 0.16 0.00 -1.46 0.00 0.00 37.83 32.62 1fbz s LYS 60 CO -0.01 -0.81 1.07 0.42 0.16 0.00 0.00 175.35 176.18 1fbz s ILE 61 N 3.67 5.04 0.32 5.43 1.01 0.52 -4.47 121.20 132.72 1fbz s ILE 61 Ca 0.52 -1.99 -0.29 0.00 0.00 0.00 0.00 60.65 58.89 1fbz s ILE 61 Cb -0.18 -4.71 -0.10 0.00 0.01 0.00 0.00 42.46 37.48 1fbz s ILE 61 CO 0.15 -1.39 1.30 -0.13 0.00 0.00 0.00 174.94 174.87 1fbz s ARG 62 N 1.77 4.37 0.02 2.79 1.81 -0.76 -3.02 118.95 125.93 1fbz s ARG 62 Ca 0.30 2.19 -0.29 0.00 -1.72 0.00 0.00 55.73 56.20 1fbz s ARG 62 Cb -0.06 -3.08 -0.04 0.00 -0.45 0.00 0.00 34.95 31.32 1fbz s ARG 62 CO -0.08 -0.17 0.94 -0.80 -0.68 0.00 0.00 175.30 174.51 1fbz s ASN 63 N -0.46 7.35 0.70 0.23 0.02 -1.26 -2.14 114.94 119.37 1fbz s ASN 63 Ca 0.49 1.63 -0.11 0.00 -1.02 0.00 0.00 52.86 53.85 1fbz s ASN 63 Cb -0.39 -2.55 0.01 0.00 0.02 0.00 0.00 41.25 38.33 1fbz s ASN 63 CO 0.51 -0.20 1.06 -0.22 0.02 0.00 0.00 177.10 178.28 1fbz s LEU 64 N 0.77 3.15 0.09 0.60 2.96 -0.07 -4.95 118.68 121.23 1fbz s LEU 64 Ca 0.49 1.66 -0.25 0.00 -0.22 0.00 0.00 54.13 55.82 1fbz s LEU 64 Cb -0.21 -4.50 -0.14 0.00 0.50 0.00 0.00 46.19 41.84 1fbz s LEU 64 CO 0.27 -1.49 1.71 -0.78 -1.32 0.00 0.00 176.35 174.74 1fbz h ASP 65 N -0.67 -0.18 0.00 3.68 3.58 -1.96 -2.27 116.42 118.60 1fbz h ASP 65 Ca -0.44 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.02 1fbz h ASP 65 Cb 1.21 0.06 0.00 0.00 1.72 0.00 0.00 39.33 42.32 1fbz h ASP 65 CO 0.56 -0.12 0.00 -0.46 -2.88 0.00 0.00 179.24 176.35 1fbz n ASN 66 N -5.18 0.00 0.00 2.28 6.94 -1.26 -4.79 115.26 113.25 1fbz n ASN 66 Ca -0.08 -1.05 0.00 0.00 -0.02 0.00 0.00 54.58 53.44 1fbz n ASN 66 Cb 0.11 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.53 1fbz n ASN 66 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1fbz n GLY 67 N 0.17 0.42 0.00 4.83 0.00 -0.85 -5.09 105.19 104.67 1fbz n GLY 67 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1fbz n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fbz n GLY 68 N -1.54 -2.32 3.18 -0.02 0.00 -1.25 -4.66 105.19 98.57 1fbz n GLY 68 Ca 0.00 -1.42 -0.09 0.00 0.00 0.00 0.00 46.02 44.52 1fbz n GLY 68 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1fbz s PHE 69 N -0.49 0.55 -0.30 1.61 0.40 0.30 -0.90 117.98 119.15 1fbz s PHE 69 Ca 0.00 -0.99 -0.23 0.00 -0.60 0.00 0.00 56.93 55.11 1fbz s PHE 69 Cb 0.00 -0.30 0.20 0.00 0.51 0.00 0.00 43.02 43.42 1fbz s PHE 69 CO 0.00 -0.52 1.43 1.52 0.70 0.00 0.00 175.22 178.35 1fbz s TYR 70 N -3.96 -0.04 -0.12 0.36 -0.85 -0.91 -1.08 117.35 110.75 1fbz s TYR 70 Ca 0.14 0.08 -0.05 0.00 -0.52 0.00 0.00 57.07 56.73 1fbz s TYR 70 Cb 0.06 0.40 -0.26 0.00 0.38 0.00 0.00 41.96 42.55 1fbz s TYR 70 CO -0.04 -0.02 0.35 -0.89 -1.52 0.00 0.00 175.55 173.43 1fbz n ILE 71 N 1.84 1.76 -5.09 -3.49 5.41 -1.26 -1.83 119.36 116.69 1fbz n ILE 71 Ca -0.11 -0.66 -0.32 0.00 1.00 0.00 0.00 62.75 62.65 1fbz n ILE 71 Cb 0.57 -1.67 -0.16 0.00 -0.71 0.00 0.00 39.64 37.67 1fbz n ILE 71 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 1fbz s SER 72 N -6.95 3.40 0.00 4.38 0.15 -1.26 -4.84 113.70 108.58 1fbz s SER 72 Ca -0.22 -0.45 0.03 0.00 0.70 0.00 0.00 55.95 56.01 1fbz s SER 72 Cb 0.07 -1.23 0.18 0.00 -1.71 0.00 0.00 66.02 63.33 1fbz s SER 72 CO 0.76 0.20 0.59 -0.81 1.20 0.00 0.00 173.24 175.19 1fbz n PRO 73 N 3.23 0.11 -0.05 5.44 -0.04 -1.26 -2.69 135.00 139.74 1fbz n PRO 73 Ca -0.18 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.16 1fbz n PRO 73 Cb 0.53 -1.41 -0.10 0.00 -0.04 0.00 0.00 33.50 32.47 1fbz n PRO 73 CO 0.00 0.00 0.00 0.07 -0.04 0.00 0.00 175.50 175.53 1fbz h ARG 74 N 0.00 -0.02 -5.02 0.54 0.11 -2.00 -3.43 114.38 104.56 1fbz h ARG 74 Ca 0.00 0.00 -0.65 0.00 0.10 0.00 0.00 59.98 59.43 1fbz h ARG 74 Cb 0.00 0.00 -0.25 0.00 1.11 0.00 0.00 29.97 30.84 1fbz h ARG 74 CO 0.00 0.74 -0.68 0.96 0.10 0.00 0.00 179.97 181.09 1fbz s ILE 75 N -2.43 3.81 -0.51 0.08 -5.25 -1.10 -5.06 121.20 110.74 1fbz s ILE 75 Ca -0.15 -0.35 0.04 0.00 -0.99 0.00 0.00 60.65 59.19 1fbz s ILE 75 Cb -0.02 -2.74 0.13 0.00 2.95 0.00 0.00 42.46 42.78 1fbz s ILE 75 CO 0.57 0.40 0.26 0.42 -1.79 0.00 0.00 174.94 174.80 1fbz s THR 76 N 1.37 2.42 0.63 8.37 -4.23 -1.26 -4.54 115.64 118.40 1fbz s THR 76 Ca 0.05 -3.23 -0.18 0.00 -1.18 0.00 0.00 61.69 57.14 1fbz s THR 76 Cb -0.15 -2.68 -0.02 0.00 1.34 0.00 0.00 72.50 70.99 1fbz s THR 76 CO 0.00 -0.82 1.23 -0.36 -0.54 0.00 0.00 174.62 174.14 1fbz s PHE 77 N -0.22 2.24 0.26 3.99 0.40 -0.24 -4.72 117.98 119.69 1fbz s PHE 77 Ca 0.17 1.52 0.11 0.00 -0.60 0.00 0.00 56.93 58.13 1fbz s PHE 77 Cb -0.25 -3.55 0.40 0.00 0.51 0.00 0.00 43.02 40.12 1fbz s PHE 77 CO -0.00 -2.50 1.63 -1.00 0.70 0.00 0.00 175.22 174.04 1fbz h PRO 78 N 0.59 0.00 -3.80 0.24 0.13 -1.95 0.87 132.00 128.07 1fbz h PRO 78 Ca -0.50 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.54 1fbz h PRO 78 Cb 1.31 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.33 1fbz h PRO 78 CO 0.54 0.59 -0.23 0.20 -0.23 0.00 0.00 178.00 178.86 1fbz s GLY 79 N -4.45 0.54 0.37 1.56 0.00 -1.26 -4.48 107.32 99.60 1fbz s GLY 79 Ca -0.01 -0.90 0.26 0.00 0.00 0.00 0.00 44.72 44.07 1fbz s GLY 79 CO 0.75 -0.75 1.80 1.41 0.00 0.00 0.00 173.10 176.32 1fbz h LEU 80 N 2.39 0.00 0.03 0.66 3.38 -1.97 -2.70 115.31 117.11 1fbz h LEU 80 Ca -0.29 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.67 1fbz h LEU 80 Cb 1.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.99 1fbz h LEU 80 CO 0.42 0.00 -0.02 0.45 0.09 0.00 0.00 178.44 179.39 1fbz h HIS 81 N 0.00 -0.04 0.00 1.13 3.86 -1.98 -2.84 115.15 115.28 1fbz h HIS 81 Ca 0.00 -0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.17 1fbz h HIS 81 Cb 0.13 0.01 -0.00 0.00 1.06 0.00 0.00 27.41 28.61 1fbz h HIS 81 CO 0.00 0.64 -0.16 1.49 0.86 0.00 0.00 177.93 180.75 1fbz h GLU 82 N -0.82 0.00 0.09 2.45 4.57 -1.91 -0.59 114.58 118.37 1fbz h GLU 82 Ca -0.00 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.17 1fbz h GLU 82 Cb 0.70 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.29 1fbz h GLU 82 CO 0.01 0.16 -0.04 1.25 -1.18 0.00 0.00 179.01 179.21 1fbz h LEU 83 N 0.00 -0.10 -1.74 1.64 6.46 -1.55 -0.63 115.31 119.39 1fbz h LEU 83 Ca -0.00 -0.27 -0.03 0.00 -0.12 0.00 0.00 57.88 57.46 1fbz h LEU 83 Cb 0.46 0.03 -0.00 0.00 -0.73 0.00 0.00 40.66 40.41 1fbz h LEU 83 CO 0.02 0.22 -0.15 0.58 -0.62 0.00 0.00 178.44 178.49 1fbz h VAL 84 N -0.43 1.02 0.36 1.05 2.07 -1.19 -2.48 116.25 116.64 1fbz h VAL 84 Ca -0.01 -0.53 -0.02 0.00 0.82 0.00 0.00 66.70 66.96 1fbz h VAL 84 Cb 0.36 1.29 0.00 0.00 -1.52 0.00 0.00 31.29 31.43 1fbz h VAL 84 CO 0.02 0.15 -0.17 -0.09 0.02 0.00 0.00 177.57 177.50 1fbz h ARG 85 N 0.00 -0.46 -0.99 1.57 2.43 -0.75 -2.28 114.38 113.90 1fbz h ARG 85 Ca -0.00 0.03 0.17 0.00 -0.81 0.00 0.00 59.98 59.37 1fbz h ARG 85 Cb 0.28 0.10 -0.09 0.00 -0.42 0.00 0.00 29.97 29.84 1fbz h ARG 85 CO 0.02 -0.17 0.62 1.25 -1.51 0.00 0.00 179.97 180.18 1fbz h HIS 86 N -1.01 1.05 0.00 2.20 2.76 -1.02 -0.25 115.15 118.88 1fbz h HIS 86 Ca -0.05 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.15 1fbz h HIS 86 Cb 0.50 -0.32 0.00 0.00 1.55 0.00 0.00 27.41 29.14 1fbz h HIS 86 CO 0.03 0.31 -0.27 0.66 -1.30 0.00 0.00 177.93 177.36 1fbz n TYR 87 N -4.69 0.01 0.02 5.26 4.02 -0.95 -3.00 117.16 117.84 1fbz n TYR 87 Ca 0.21 0.00 -0.10 0.00 -0.01 0.00 0.00 57.90 58.01 1fbz n TYR 87 Cb 0.50 -0.38 -0.13 0.00 -0.02 0.00 0.00 39.34 39.31 1fbz n TYR 87 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 176.86 177.00 1fbz h THR 88 N 0.00 1.16 0.00 -0.72 2.02 -0.46 -0.80 112.91 114.11 1fbz h THR 88 Ca 0.00 -2.93 -0.13 0.00 0.77 0.00 0.00 66.41 64.12 1fbz h THR 88 Cb 0.51 2.61 -0.02 0.00 -1.74 0.00 0.00 68.15 69.50 1fbz h THR 88 CO 0.00 0.70 -0.63 -1.13 0.37 0.00 0.00 175.52 174.84 1fbz h ASN 89 N 0.01 0.00 -3.76 4.18 -0.73 -1.33 -3.41 115.58 110.54 1fbz h ASN 89 Ca -0.20 0.00 0.09 0.00 1.87 0.00 0.00 56.30 58.06 1fbz h ASN 89 Cb 1.94 0.00 -0.24 0.00 0.27 0.00 0.00 38.32 40.29 1fbz h ASN 89 CO 0.11 0.63 0.56 0.00 -0.37 0.00 0.00 177.43 178.36 1fbz s ALA 90 N -3.42 -1.97 0.23 1.57 0.00 -1.16 -5.05 121.76 111.96 1fbz s ALA 90 Ca -0.00 1.68 -0.07 0.00 0.00 0.00 0.00 51.96 53.57 1fbz s ALA 90 Cb 0.12 -0.98 0.29 0.00 0.00 0.00 0.00 23.12 22.55 1fbz s ALA 90 CO 0.76 -0.28 1.85 0.66 0.00 0.00 0.00 175.76 178.75 1fbz h SER 91 N 2.94 0.81 -4.89 0.00 4.64 -1.80 -3.35 113.55 111.90 1fbz h SER 91 Ca -0.20 0.01 -0.37 0.00 -0.47 0.00 0.00 61.79 60.76 1fbz h SER 91 Cb 1.17 -0.16 -0.03 0.00 -0.31 0.00 0.00 62.40 63.07 1fbz h SER 91 CO 0.25 0.53 -0.54 -0.67 -0.87 0.00 0.00 176.83 175.54 1fbz n ASP 92 N -4.63 -4.47 0.00 4.97 -0.08 -1.26 -1.36 116.55 109.72 1fbz n ASP 92 Ca 0.11 -0.27 0.00 0.00 -1.51 0.00 0.00 54.79 53.12 1fbz n ASP 92 Cb 0.15 -3.68 0.00 0.00 2.34 0.00 0.00 41.12 39.92 1fbz n ASP 92 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1fbz n GLY 93 N -1.22 0.88 3.86 0.27 0.00 -1.26 -5.09 105.19 102.63 1fbz n GLY 93 Ca -0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.65 1fbz n GLY 93 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1fbz s LEU 94 N 0.00 2.73 0.53 0.99 1.02 -0.46 -4.93 118.68 118.55 1fbz s LEU 94 Ca 0.00 1.12 0.31 0.00 0.02 0.00 0.00 54.13 55.58 1fbz s LEU 94 Cb 0.00 -3.81 1.42 0.00 0.02 0.00 0.00 46.19 43.82 1fbz s LEU 94 CO 0.00 -1.64 2.02 0.00 0.02 0.00 0.00 176.35 176.75 1fbz s THR 96 N -3.89 0.00 0.26 0.00 -1.32 -1.26 -5.02 115.64 104.41 1fbz s THR 96 Ca -0.01 -0.58 -0.25 0.00 -1.21 0.00 0.00 61.69 59.64 1fbz s THR 96 Cb 0.11 -1.90 -0.09 0.00 -1.51 0.00 0.00 72.50 69.12 1fbz s THR 96 CO 0.56 0.00 0.86 -0.60 -2.21 0.00 0.00 174.62 173.24 1fbz s ARG 97 N -3.23 4.55 -1.24 7.08 3.52 -1.26 -4.55 118.95 123.82 1fbz s ARG 97 Ca 0.12 1.22 -0.19 0.00 -0.13 0.00 0.00 55.73 56.75 1fbz s ARG 97 Cb -0.01 -2.97 0.07 0.00 -1.56 0.00 0.00 34.95 30.48 1fbz s ARG 97 CO 0.01 0.39 1.68 -0.51 -0.81 0.00 0.00 175.30 176.06 1fbz s LEU 98 N -1.75 3.80 0.00 -0.88 1.43 -0.30 -4.02 118.68 116.96 1fbz s LEU 98 Ca 0.45 -2.26 0.00 0.00 -1.03 0.00 0.00 54.13 51.28 1fbz s LEU 98 Cb -0.20 -2.57 0.00 0.00 0.03 0.00 0.00 46.19 43.44 1fbz s LEU 98 CO 0.25 -1.23 0.82 -1.54 0.23 0.00 0.00 176.35 174.88 1fbz n SER 99 N 8.44 0.00 -4.08 2.29 3.41 -0.64 -4.28 113.62 118.76 1fbz n SER 99 Ca 0.46 0.82 -0.14 0.00 -0.26 0.00 0.00 58.87 59.75 1fbz n SER 99 Cb 0.47 -0.32 -0.11 0.00 -0.26 0.00 0.00 64.21 63.98 1fbz n SER 99 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1fbz s ARG 100 N -2.28 0.57 0.60 4.33 3.52 -1.23 -5.00 118.95 119.45 1fbz s ARG 100 Ca 0.00 -0.79 -0.18 0.00 -0.13 0.00 0.00 55.73 54.62 1fbz s ARG 100 Cb 0.00 -0.35 -0.03 0.00 -1.56 0.00 0.00 34.95 33.01 1fbz s ARG 100 CO 0.00 0.06 1.18 -2.14 -0.81 0.00 0.00 175.30 173.59 1fbz s PRO 101 N -1.66 2.98 0.49 5.12 0.02 -1.26 -2.30 135.00 138.39 1fbz s PRO 101 Ca -0.09 1.73 -0.23 0.00 0.02 0.00 0.00 61.00 62.44 1fbz s PRO 101 Cb -0.10 -1.94 -0.08 0.00 0.02 0.00 0.00 34.50 32.40 1fbz s PRO 101 CO 0.00 -1.17 1.12 0.00 -0.33 0.00 0.00 177.00 176.62 1fbz s GLN 103 N -2.38 1.33 0.00 0.00 -1.52 -1.26 -4.84 119.66 110.98 1fbz s GLN 103 Ca 0.67 -1.46 0.00 0.00 -1.95 0.00 0.00 55.36 52.62 1fbz s GLN 103 Cb -0.49 -1.38 0.00 0.00 -0.22 0.00 0.00 33.01 30.93 1fbz s GLN 103 CO 0.54 0.27 0.00 2.41 -0.25 0.00 0.00 175.29 178.26