#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qog s THR 2 N 0.00 1.00 0.05 0.00 2.01 -1.26 -1.87 115.64 115.57 1qog s THR 2 Ca 0.00 -0.30 0.01 0.00 0.31 0.00 0.00 61.69 61.71 1qog s THR 2 Cb 0.00 -1.00 -0.04 0.00 0.01 0.00 0.00 72.50 71.47 1qog s THR 2 CO 0.00 0.35 0.12 -0.36 -0.69 0.00 0.00 174.62 174.04 1qog s PHE 3 N 1.48 3.31 -0.11 4.92 0.08 0.13 -4.85 117.98 122.94 1qog s PHE 3 Ca 0.00 0.16 -0.25 0.00 0.12 0.00 0.00 56.93 56.97 1qog s PHE 3 Cb -0.13 -1.69 -0.03 0.00 -0.57 0.00 0.00 43.02 40.60 1qog s PHE 3 CO -0.05 0.55 0.79 0.21 -0.10 0.00 0.00 175.22 176.61 1qog s LYS 4 N -2.28 4.38 -0.16 0.44 2.20 -1.26 0.39 119.74 123.45 1qog s LYS 4 Ca 0.29 0.99 0.00 0.00 -0.36 0.00 0.00 55.97 56.89 1qog s LYS 4 Cb -0.12 -3.51 0.03 0.00 -1.51 0.00 0.00 37.83 32.71 1qog s LYS 4 CO 0.22 -0.14 -0.13 0.08 -0.36 0.00 0.00 175.35 175.02 1qog s VAL 5 N 1.47 1.53 -0.27 4.02 1.01 0.34 -1.06 120.40 127.44 1qog s VAL 5 Ca 0.39 -0.68 -0.12 0.00 0.00 0.00 0.00 61.98 61.57 1qog s VAL 5 Cb -0.17 -1.49 -0.05 0.00 0.00 0.00 0.00 36.38 34.67 1qog s VAL 5 CO 0.16 0.39 0.23 -0.89 0.00 0.00 0.00 175.10 174.99 1qog s THR 6 N 1.49 5.28 -0.28 3.92 2.01 0.33 -0.70 115.64 127.69 1qog s THR 6 Ca 0.04 0.26 -0.07 0.00 0.31 0.00 0.00 61.69 62.23 1qog s THR 6 Cb -0.13 -3.57 -0.01 0.00 0.01 0.00 0.00 72.50 68.80 1qog s THR 6 CO -0.10 0.24 0.09 -0.76 -0.69 0.00 0.00 174.62 173.39 1qog s LEU 7 N 1.76 3.68 -0.15 4.42 1.43 0.15 -0.50 118.68 129.48 1qog s LEU 7 Ca 0.09 -0.43 -0.01 0.00 -1.03 0.00 0.00 54.13 52.75 1qog s LEU 7 Cb -0.16 -1.92 -0.01 0.00 0.03 0.00 0.00 46.19 44.13 1qog s LEU 7 CO 0.10 -0.12 -0.12 -0.63 0.23 0.00 0.00 176.35 175.81 1qog s ILE 8 N 1.57 3.00 -0.59 -0.59 1.01 0.09 -1.30 121.20 124.39 1qog s ILE 8 Ca 0.05 -0.66 -0.06 0.00 0.00 0.00 0.00 60.65 59.97 1qog s ILE 8 Cb -0.16 -2.28 0.15 0.00 0.01 0.00 0.00 42.46 40.19 1qog s ILE 8 CO 0.03 0.51 0.44 0.21 0.00 0.00 0.00 174.94 176.14 1qog s ASN 9 N 0.62 5.63 0.14 3.58 3.84 -0.61 -0.56 114.94 127.58 1qog s ASN 9 Ca -0.07 -2.48 -0.20 0.00 0.21 0.00 0.00 52.86 50.32 1qog s ASN 9 Cb -0.15 -1.95 0.02 0.00 -0.55 0.00 0.00 41.25 38.61 1qog s ASN 9 CO 0.03 -0.51 1.67 -0.33 -2.79 0.00 0.00 177.10 175.17 1qog h GLU 10 N 7.65 -0.08 0.00 0.43 5.08 -1.85 0.72 114.58 126.53 1qog h GLU 10 Ca -0.06 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 1qog h GLU 10 Cb 1.01 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.28 1qog h GLU 10 CO 0.76 -0.05 -0.06 0.00 -1.00 0.00 0.00 179.01 178.66 1qog h ALA 11 N 1.13 1.87 -0.01 3.43 0.00 -1.94 -2.58 119.26 121.17 1qog h ALA 11 Ca 0.13 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1qog h ALA 11 Cb 0.28 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1qog h ALA 11 CO -0.31 0.07 -0.48 0.39 0.00 0.00 0.00 179.25 178.92 1qog n GLU 12 N -4.42 1.73 -3.65 0.00 -0.58 -1.00 -5.00 120.64 107.72 1qog n GLU 12 Ca -0.03 -0.52 -0.22 0.00 -0.42 0.00 0.00 57.16 55.96 1qog n GLU 12 Cb 0.14 -1.27 0.06 0.00 -0.57 0.00 0.00 31.44 29.80 1qog n GLU 12 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1qog n GLY 13 N 1.24 -0.40 3.71 0.62 0.00 0.24 -5.00 105.19 105.59 1qog n GLY 13 Ca 0.05 0.16 -0.26 0.00 0.00 0.00 0.00 46.02 45.97 1qog n GLY 13 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1qog s THR 14 N -3.44 3.96 -0.07 2.61 -4.23 -0.61 -4.96 115.64 108.90 1qog s THR 14 Ca 0.25 -1.33 -0.03 0.00 -1.18 0.00 0.00 61.69 59.40 1qog s THR 14 Cb -0.12 -3.00 0.04 0.00 1.34 0.00 0.00 72.50 70.76 1qog s THR 14 CO 0.78 -0.12 0.14 -0.75 -0.54 0.00 0.00 174.62 174.13 1qog s LYS 15 N -3.02 0.06 -0.01 3.99 2.20 -1.26 -1.58 119.74 120.13 1qog s LYS 15 Ca 0.29 0.42 0.02 0.00 -0.36 0.00 0.00 55.97 56.34 1qog s LYS 15 Cb -0.09 -0.22 -0.00 0.00 -1.51 0.00 0.00 37.83 36.01 1qog s LYS 15 CO 0.20 -0.21 -0.07 -1.01 -0.36 0.00 0.00 175.35 173.90 1qog s HIS 16 N 1.53 0.65 -0.13 4.03 3.76 -0.42 -4.98 115.29 119.73 1qog s HIS 16 Ca -0.05 -0.13 -0.01 0.00 -0.15 0.00 0.00 55.06 54.72 1qog s HIS 16 Cb -0.12 -0.44 -0.02 0.00 1.11 0.00 0.00 32.58 33.11 1qog s HIS 16 CO -0.06 -0.03 -0.11 -1.21 -0.85 0.00 0.00 174.74 172.48 1qog s GLU 17 N -0.03 3.36 0.24 1.40 2.02 -1.26 0.33 118.70 124.76 1qog s GLU 17 Ca 0.01 -0.65 0.02 0.00 0.02 0.00 0.00 54.97 54.37 1qog s GLU 17 Cb -0.04 -2.67 -0.05 0.00 0.10 0.00 0.00 34.13 31.47 1qog s GLU 17 CO -0.00 0.26 0.04 0.96 0.02 0.00 0.00 175.26 176.54 1qog s ILE 18 N 0.24 0.81 -0.12 -1.63 -4.36 0.12 -4.98 121.20 111.29 1qog s ILE 18 Ca -0.08 -2.01 0.02 0.00 -0.26 0.00 0.00 60.65 58.32 1qog s ILE 18 Cb -0.15 -2.48 -0.01 0.00 1.25 0.00 0.00 42.46 41.08 1qog s ILE 18 CO 0.05 -0.19 -0.18 -1.61 0.24 0.00 0.00 174.94 173.25 1qog s GLU 19 N -3.94 3.24 -0.06 0.37 0.41 -1.26 -0.51 118.70 116.94 1qog s GLU 19 Ca 0.32 -0.77 0.02 0.00 -0.41 0.00 0.00 54.97 54.13 1qog s GLU 19 Cb 0.07 -2.49 0.01 0.00 -1.78 0.00 0.00 34.13 29.95 1qog s GLU 19 CO 0.11 0.20 -0.12 0.08 -0.49 0.00 0.00 175.26 175.04 1qog s VAL 20 N 0.34 1.09 0.68 2.63 1.01 0.16 -4.93 120.40 121.38 1qog s VAL 20 Ca -0.14 -0.46 -0.16 0.00 0.00 0.00 0.00 61.98 61.22 1qog s VAL 20 Cb -0.17 -1.01 0.01 0.00 0.00 0.00 0.00 36.38 35.22 1qog s VAL 20 CO 0.07 0.35 1.20 -2.84 0.00 0.00 0.00 175.10 173.87 1qog s PRO 21 N 0.67 2.46 0.00 2.72 0.02 -1.26 0.20 135.00 139.81 1qog s PRO 21 Ca -0.14 1.74 0.13 0.00 0.02 0.00 0.00 61.00 62.74 1qog s PRO 21 Cb -0.16 -1.87 0.63 0.00 0.02 0.00 0.00 34.50 33.12 1qog s PRO 21 CO 0.04 -1.58 1.35 -0.40 -0.33 0.00 0.00 177.00 176.08 1qog n ASP 22 N -2.36 0.00 -0.29 2.53 5.68 -0.78 -1.96 116.55 119.37 1qog n ASP 22 Ca 0.13 0.19 0.06 0.00 -0.50 0.00 0.00 54.79 54.68 1qog n ASP 22 Cb 0.50 -0.33 0.13 0.00 -1.14 0.00 0.00 41.12 40.27 1qog n ASP 22 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 1qog n ASP 23 N -1.33 2.64 -4.26 -1.12 5.75 -1.26 -4.73 116.55 112.23 1qog n ASP 23 Ca 0.05 -2.63 -0.30 0.00 -0.01 0.00 0.00 54.79 51.91 1qog n ASP 23 Cb 0.11 -0.31 -0.16 0.00 -1.03 0.00 0.00 41.12 39.74 1qog n ASP 23 CO 0.00 0.00 0.00 -0.70 -0.11 0.00 0.00 177.20 176.39 1qog s GLU 24 N -2.10 2.15 0.42 0.11 2.12 -0.83 -5.11 118.70 115.46 1qog s GLU 24 Ca 0.24 -0.85 -0.24 0.00 0.36 0.00 0.00 54.97 54.48 1qog s GLU 24 Cb 0.19 -1.95 -0.08 0.00 0.26 0.00 0.00 34.13 32.56 1qog s GLU 24 CO 0.05 0.44 1.16 0.71 -0.54 0.00 0.00 175.26 177.08 1qog s TYR 25 N -0.35 3.01 0.19 5.30 2.02 -1.26 -4.45 117.35 121.82 1qog s TYR 25 Ca 0.03 1.55 -0.12 0.00 -0.37 0.00 0.00 57.07 58.17 1qog s TYR 25 Cb -0.11 -3.37 0.23 0.00 -0.40 0.00 0.00 41.96 38.30 1qog s TYR 25 CO 0.01 -1.34 1.72 0.82 -1.57 0.00 0.00 175.55 175.19 1qog h ILE 26 N 2.16 0.72 -0.23 2.71 2.04 -1.26 -2.60 117.51 121.06 1qog h ILE 26 Ca -0.49 -0.10 0.06 0.00 1.00 0.00 0.00 64.86 65.33 1qog h ILE 26 Cb 1.24 0.42 -0.06 0.00 -0.74 0.00 0.00 36.82 37.67 1qog h ILE 26 CO 0.62 0.05 -0.18 0.25 0.00 0.00 0.00 178.15 178.89 1qog h LEU 27 N 0.28 -0.58 -0.19 1.44 5.85 -1.77 -0.65 115.31 119.70 1qog h LEU 27 Ca 0.27 0.12 0.04 0.00 0.84 0.00 0.00 57.88 59.14 1qog h LEU 27 Cb 0.36 0.29 -0.03 0.00 0.37 0.00 0.00 40.66 41.65 1qog h LEU 27 CO -0.33 -0.22 -0.04 0.44 -0.34 0.00 0.00 178.44 177.95 1qog h ASP 28 N -0.18 -0.15 -0.64 1.25 3.32 -1.80 -1.43 116.42 116.79 1qog h ASP 28 Ca 0.13 0.05 0.01 0.00 0.02 0.00 0.00 57.03 57.24 1qog h ASP 28 Cb 0.38 0.11 -0.03 0.00 0.22 0.00 0.00 39.33 40.00 1qog h ASP 28 CO -0.34 -0.05 0.42 0.00 -1.72 0.00 0.00 179.24 177.56 1qog h ALA 29 N 1.18 0.81 -0.52 3.45 0.00 -1.21 -1.03 119.26 121.94 1qog h ALA 29 Ca 0.09 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.99 1qog h ALA 29 Cb 0.13 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 1qog h ALA 29 CO -0.18 0.24 0.28 0.00 0.00 0.00 0.00 179.25 179.59 1qog h ALA 30 N 1.23 0.66 -0.45 0.00 0.00 -0.63 -0.60 119.26 119.47 1qog h ALA 30 Ca 0.23 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 1qog h ALA 30 Cb -0.10 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1qog h ALA 30 CO -0.05 -0.05 0.20 0.93 0.00 0.00 0.00 179.25 180.28 1qog h GLU 31 N 0.55 0.66 -0.83 0.00 5.08 -0.94 0.41 114.58 119.50 1qog h GLU 31 Ca 0.22 -0.11 0.06 0.00 -1.00 0.00 0.00 59.36 58.54 1qog h GLU 31 Cb 0.10 -0.11 -0.05 0.00 0.50 0.00 0.00 28.75 29.18 1qog h GLU 31 CO -0.14 0.58 0.54 0.93 -1.00 0.00 0.00 179.01 179.93 1qog h GLU 32 N 0.58 0.90 -0.02 2.33 5.08 -0.84 -0.30 114.58 122.32 1qog h GLU 32 Ca 0.15 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1qog h GLU 32 Cb 0.15 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.20 1qog h GLU 32 CO -0.02 0.59 0.00 1.04 -1.00 0.00 0.00 179.01 179.63 1qog n GLN 33 N -4.48 1.12 -0.16 2.33 6.02 -0.27 -4.90 117.38 117.04 1qog n GLN 33 Ca 0.12 -0.18 0.00 0.00 -0.01 0.00 0.00 57.00 56.94 1qog n GLN 33 Cb 0.21 -1.38 0.00 0.00 1.02 0.00 0.00 30.24 30.08 1qog n GLN 33 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1qog n GLY 34 N 0.92 0.92 3.08 1.08 0.00 -0.12 -5.06 105.19 106.01 1qog n GLY 34 Ca 0.18 -0.01 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 1qog n GLY 34 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1qog s TYR 35 N -2.00 3.60 0.05 1.61 2.02 0.09 -4.99 117.35 117.73 1qog s TYR 35 Ca 0.00 -2.61 -0.31 0.00 -0.37 0.00 0.00 57.07 53.79 1qog s TYR 35 Cb 0.00 -2.85 -0.05 0.00 -0.40 0.00 0.00 41.96 38.66 1qog s TYR 35 CO 0.00 -0.93 1.19 -0.51 -1.57 0.00 0.00 175.55 173.72 1qog s ASP 36 N 1.29 7.09 0.19 2.29 1.01 -1.26 -3.05 116.67 124.23 1qog s ASP 36 Ca 0.06 1.99 0.10 0.00 0.71 0.00 0.00 52.55 55.41 1qog s ASP 36 Cb -0.21 -2.58 -0.04 0.00 1.01 0.00 0.00 42.92 41.10 1qog s ASP 36 CO -0.06 -0.46 -0.21 -0.76 0.21 0.00 0.00 175.17 173.89 1qog s LEU 37 N 1.12 2.45 0.36 1.23 1.43 -1.26 -5.06 118.68 118.96 1qog s LEU 37 Ca 0.58 -0.88 -0.27 0.00 -1.03 0.00 0.00 54.13 52.52 1qog s LEU 37 Cb -0.29 -1.02 -0.10 0.00 0.03 0.00 0.00 46.19 44.82 1qog s LEU 37 CO 0.29 0.05 1.30 -2.16 0.23 0.00 0.00 176.35 176.06 1qog s PRO 38 N -2.82 4.19 0.21 1.29 0.04 -1.26 -5.03 135.00 131.61 1qog s PRO 38 Ca 0.20 2.19 -0.23 0.00 0.04 0.00 0.00 61.00 63.20 1qog s PRO 38 Cb -0.07 -2.93 0.05 0.00 0.04 0.00 0.00 34.50 31.59 1qog s PRO 38 CO 0.09 -0.32 0.71 -0.59 0.04 0.00 0.00 177.00 176.93 1qog s PHE 39 N -1.20 -0.33 0.00 0.56 -0.71 -1.26 -3.67 117.98 111.37 1qog s PHE 39 Ca 0.52 -0.00 0.00 0.00 -1.04 0.00 0.00 56.93 56.41 1qog s PHE 39 Cb -0.39 0.64 0.00 0.00 -1.21 0.00 0.00 43.02 42.06 1qog s PHE 39 CO 0.51 -1.01 0.00 0.45 -1.34 0.00 0.00 175.22 173.83 1qog n SER 40 N -0.42 0.00 0.12 1.98 2.88 -1.26 -4.93 113.62 111.99 1qog n SER 40 Ca -0.09 0.00 0.01 0.00 -1.33 0.00 0.00 58.87 57.45 1qog n SER 40 Cb 0.62 0.00 0.33 0.00 -0.75 0.00 0.00 64.21 64.40 1qog n SER 40 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1qog n ARG 42 N -4.16 -1.92 -0.21 0.00 1.74 -1.26 -4.84 116.66 106.01 1qog n ARG 42 Ca -0.01 0.83 0.01 0.00 -0.77 0.00 0.00 57.85 57.91 1qog n ARG 42 Cb 0.36 -5.47 0.02 0.00 -1.02 0.00 0.00 32.46 26.34 1qog n ARG 42 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1qog n ALA 43 N -2.09 1.65 -1.24 7.54 0.00 -1.26 -4.93 120.51 120.17 1qog n ALA 43 Ca -0.20 -0.99 -0.07 0.00 0.00 0.00 0.00 53.44 52.18 1qog n ALA 43 Cb 0.65 -0.24 -0.03 0.00 0.00 0.00 0.00 19.45 19.84 1qog n ALA 43 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qog n GLY 44 N -0.21 0.88 0.43 0.00 0.00 -1.26 -4.81 105.19 100.22 1qog n GLY 44 Ca 0.02 -0.73 0.07 0.00 0.00 0.00 0.00 46.02 45.38 1qog n GLY 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qog n ALA 45 N 1.03 2.70 -3.81 4.61 0.00 -1.26 -0.31 120.51 123.48 1qog n ALA 45 Ca -0.07 -2.63 -0.13 0.00 0.00 0.00 0.00 53.44 50.62 1qog n ALA 45 Cb 0.24 -0.42 -0.04 0.00 0.00 0.00 0.00 19.45 19.24 1qog n ALA 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1qog n ALA 47 N -1.34 2.75 -0.27 0.00 0.00 -1.26 -4.76 120.51 115.63 1qog n ALA 47 Ca -0.09 -0.44 0.04 0.00 0.00 0.00 0.00 53.44 52.94 1qog n ALA 47 Cb 0.43 -0.32 0.18 0.00 0.00 0.00 0.00 19.45 19.73 1qog n ALA 47 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1qog h THR 48 N 1.15 0.79 -0.37 0.00 2.02 -1.93 -2.53 112.91 112.03 1qog h THR 48 Ca 0.00 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 66.97 1qog h THR 48 Cb 0.33 0.11 0.00 0.00 -1.74 0.00 0.00 68.15 66.85 1qog h THR 48 CO 0.00 0.11 0.00 0.00 0.37 0.00 0.00 175.52 176.00 1qog n ALA 50 N 0.59 1.36 -2.28 0.00 0.00 -0.95 -2.84 120.51 116.39 1qog n ALA 50 Ca 0.13 0.36 -0.16 0.00 0.00 0.00 0.00 53.44 53.77 1qog n ALA 50 Cb 0.32 -2.26 -0.10 0.00 0.00 0.00 0.00 19.45 17.40 1qog n ALA 50 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1qog s GLY 51 N -0.30 1.77 -0.10 0.00 0.00 0.15 -1.64 107.32 107.20 1qog s GLY 51 Ca 0.55 -1.79 -0.00 0.00 0.00 0.00 0.00 44.72 43.48 1qog s GLY 51 CO 0.62 -1.52 -0.07 1.25 0.00 0.00 0.00 173.10 173.38 1qog s LYS 52 N -3.98 1.35 0.25 2.90 2.20 0.39 -1.33 119.74 121.52 1qog s LYS 52 Ca 0.38 -0.20 -0.30 0.00 -0.36 0.00 0.00 55.97 55.49 1qog s LYS 52 Cb 0.06 -1.42 -0.10 0.00 -1.51 0.00 0.00 37.83 34.87 1qog s LYS 52 CO 0.15 -0.23 1.37 -0.51 -0.36 0.00 0.00 175.35 175.77 1qog s LEU 53 N 1.58 4.41 -0.28 5.43 1.43 0.59 -0.60 118.68 131.23 1qog s LEU 53 Ca 0.02 2.57 -0.11 0.00 -1.03 0.00 0.00 54.13 55.57 1qog s LEU 53 Cb -0.13 -3.62 -0.13 0.00 0.03 0.00 0.00 46.19 42.34 1qog s LEU 53 CO -0.06 -0.60 -0.33 0.52 0.23 0.00 0.00 176.35 176.11 1qog n VAL 54 N 2.16 1.52 -3.63 -1.59 0.31 0.86 -4.90 118.33 113.06 1qog n VAL 54 Ca 0.05 -0.42 -0.10 0.00 -0.01 0.00 0.00 64.34 63.86 1qog n VAL 54 Cb 0.41 -1.80 -0.05 0.00 -0.91 0.00 0.00 33.84 31.49 1qog n VAL 54 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1qog s SER 55 N -7.34 -0.23 0.00 4.52 1.04 -1.04 -4.97 113.70 105.68 1qog s SER 55 Ca -0.38 -0.32 0.00 0.00 0.48 0.00 0.00 55.95 55.73 1qog s SER 55 Cb 0.14 0.47 0.00 0.00 0.10 0.00 0.00 66.02 66.73 1qog s SER 55 CO 0.51 -0.85 0.00 0.61 0.98 0.00 0.00 173.24 174.49 1qog n GLY 56 N -0.22 -0.83 3.36 7.32 0.00 -1.25 -1.28 105.19 112.28 1qog n GLY 56 Ca -0.16 -1.69 -0.18 0.00 0.00 0.00 0.00 46.02 43.98 1qog n GLY 56 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1qog s THR 57 N -1.29 1.33 0.18 2.61 -4.23 -1.26 -4.94 115.64 108.04 1qog s THR 57 Ca 0.00 -2.09 -0.05 0.00 -1.18 0.00 0.00 61.69 58.38 1qog s THR 57 Cb 0.00 -2.29 -0.03 0.00 1.34 0.00 0.00 72.50 71.53 1qog s THR 57 CO 0.00 -0.40 0.20 0.68 -0.54 0.00 0.00 174.62 174.56 1qog s VAL 58 N -3.22 0.05 -0.27 2.29 -7.23 -1.26 -1.42 120.40 109.33 1qog s VAL 58 Ca 0.27 -1.74 0.00 0.00 -1.81 0.00 0.00 61.98 58.70 1qog s VAL 58 Cb 0.04 -2.16 0.05 0.00 0.56 0.00 0.00 36.38 34.87 1qog s VAL 58 CO 0.09 -0.21 -0.07 -0.62 -0.31 0.00 0.00 175.10 173.98 1qog s ASP 59 N -3.06 4.50 -0.16 4.85 -1.08 0.16 -4.80 116.67 117.09 1qog s ASP 59 Ca 0.27 -1.21 0.15 0.00 -0.52 0.00 0.00 52.55 51.23 1qog s ASP 59 Cb 0.05 -1.62 0.42 0.00 -1.46 0.00 0.00 42.92 40.31 1qog s ASP 59 CO 0.06 -0.19 1.21 0.00 0.52 0.00 0.00 175.17 176.76 1qog n GLN 60 N 4.55 1.21 0.11 4.34 10.64 -1.26 -0.65 117.38 136.33 1qog n GLN 60 Ca -0.15 -2.99 0.19 0.00 -1.83 0.00 0.00 57.00 52.22 1qog n GLN 60 Cb 0.44 -1.21 0.62 0.00 -0.86 0.00 0.00 30.24 29.23 1qog n GLN 60 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 1qog h SER 61 N 1.02 0.00 0.87 2.61 4.64 -1.94 0.92 113.55 121.68 1qog h SER 61 Ca -0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 1qog h SER 61 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1qog h SER 61 CO 0.04 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 176.47 1qog n ASP 62 N -3.28 0.08 -4.78 4.97 8.00 -1.26 -4.86 116.55 115.41 1qog n ASP 62 Ca 0.08 0.51 -0.35 0.00 0.71 0.00 0.00 54.79 55.73 1qog n ASP 62 Cb 0.79 -0.53 -0.01 0.00 -0.02 0.00 0.00 41.12 41.34 1qog n ASP 62 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1qog s GLN 63 N -3.02 3.61 0.00 -1.24 1.03 0.32 -4.80 119.66 115.55 1qog s GLN 63 Ca 0.11 1.58 0.00 0.00 0.04 0.00 0.00 55.36 57.10 1qog s GLN 63 Cb 0.15 -2.15 0.00 0.00 0.03 0.00 0.00 33.01 31.04 1qog s GLN 63 CO 0.45 -0.63 0.00 -1.13 -2.54 0.00 0.00 175.29 171.43 1qog n SER 64 N -0.95 0.63 -0.02 12.60 3.41 0.58 -4.88 113.62 124.98 1qog n SER 64 Ca 0.10 -0.13 -0.15 0.00 -0.26 0.00 0.00 58.87 58.42 1qog n SER 64 Cb 0.51 0.39 -0.12 0.00 -0.26 0.00 0.00 64.21 64.73 1qog n SER 64 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 1qog h PHE 65 N 0.00 0.27 -4.04 7.33 3.04 -1.66 -3.47 116.94 118.41 1qog h PHE 65 Ca 0.00 -0.15 -0.48 0.00 3.98 0.00 0.00 57.97 61.31 1qog h PHE 65 Cb 0.00 -0.03 0.04 0.00 2.56 0.00 0.00 35.95 38.52 1qog h PHE 65 CO 0.00 0.97 0.42 -0.51 -2.02 0.00 0.00 178.31 177.16 1qog s LEU 66 N -8.47 3.91 0.46 0.59 1.43 -1.26 -5.02 118.68 110.32 1qog s LEU 66 Ca -0.16 2.06 0.03 0.00 -1.03 0.00 0.00 54.13 55.03 1qog s LEU 66 Cb 0.01 -4.44 0.01 0.00 0.03 0.00 0.00 46.19 41.80 1qog s LEU 66 CO 0.75 -0.84 0.65 1.51 0.23 0.00 0.00 176.35 178.65 1qog s ASP 67 N -1.76 5.68 0.28 2.29 1.47 -1.26 -4.94 116.67 118.44 1qog s ASP 67 Ca 0.66 0.04 0.03 0.00 1.18 0.00 0.00 52.55 54.46 1qog s ASP 67 Cb -0.21 -1.20 0.66 0.00 -0.34 0.00 0.00 42.92 41.83 1qog s ASP 67 CO 0.25 -0.79 1.75 0.44 0.68 0.00 0.00 175.17 177.51 1qog h ASP 68 N 0.42 0.59 -0.40 2.11 3.32 -1.99 -1.29 116.42 119.17 1qog h ASP 68 Ca -0.44 0.11 -0.10 0.00 0.02 0.00 0.00 57.03 56.61 1qog h ASP 68 Cb 1.27 0.02 -0.02 0.00 0.22 0.00 0.00 39.33 40.82 1qog h ASP 68 CO 0.54 0.19 -0.12 0.44 -1.72 0.00 0.00 179.24 178.57 1qog h ASP 69 N 0.63 0.85 0.63 6.45 3.32 -1.99 -0.10 116.42 126.21 1qog h ASP 69 Ca 0.53 -0.27 -0.15 0.00 0.02 0.00 0.00 57.03 57.16 1qog h ASP 69 Cb 0.84 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 40.14 1qog h ASP 69 CO -0.41 0.98 -0.69 1.56 -1.72 0.00 0.00 179.24 178.97 1qog h GLN 70 N 0.77 0.05 -0.16 3.56 4.20 -1.65 -1.85 115.11 120.02 1qog h GLN 70 Ca 0.13 -0.04 -0.11 0.00 0.06 0.00 0.00 58.65 58.69 1qog h GLN 70 Cb 0.63 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.42 1qog h GLN 70 CO 0.04 0.72 -0.31 0.82 -0.67 0.00 0.00 178.83 179.43 1qog h ILE 71 N 0.03 1.35 -0.25 2.54 2.04 -1.08 -1.89 117.51 120.26 1qog h ILE 71 Ca -0.01 -1.56 -0.00 0.00 1.00 0.00 0.00 64.86 64.29 1qog h ILE 71 Cb 1.22 1.95 -0.01 0.00 -0.74 0.00 0.00 36.82 39.24 1qog h ILE 71 CO 0.09 0.47 0.15 -0.33 0.00 0.00 0.00 178.15 178.53 1qog h GLU 72 N 0.13 0.33 0.00 2.37 5.08 -0.94 0.26 114.58 121.82 1qog h GLU 72 Ca 0.01 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1qog h GLU 72 Cb 0.91 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.09 1qog h GLU 72 CO 0.07 0.23 0.00 0.00 -1.00 0.00 0.00 179.01 178.31 1qog n ALA 73 N -2.50 1.80 0.00 3.43 0.00 -0.70 -4.88 120.51 117.66 1qog n ALA 73 Ca 0.01 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1qog n ALA 73 Cb 0.08 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.25 1qog n ALA 73 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qog n GLY 74 N 0.28 0.78 3.78 0.00 0.00 0.93 -4.88 105.19 106.07 1qog n GLY 74 Ca 0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 1qog n GLY 74 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1qog s TYR 75 N -2.00 3.32 -0.03 1.61 2.02 -0.73 -0.30 117.35 121.24 1qog s TYR 75 Ca 0.00 1.66 -0.04 0.00 -0.37 0.00 0.00 57.07 58.32 1qog s TYR 75 Cb 0.00 -3.13 0.01 0.00 -0.40 0.00 0.00 41.96 38.43 1qog s TYR 75 CO 0.00 -0.58 0.10 0.08 -1.57 0.00 0.00 175.55 173.58 1qog s VAL 76 N -1.60 0.02 -0.53 0.71 1.01 -0.44 -4.56 120.40 115.00 1qog s VAL 76 Ca 0.56 -0.13 -0.19 0.00 0.00 0.00 0.00 61.98 62.23 1qog s VAL 76 Cb -0.23 -0.19 0.07 0.00 0.00 0.00 0.00 36.38 36.04 1qog s VAL 76 CO 0.29 -0.07 0.62 -0.76 0.00 0.00 0.00 175.10 175.18 1qog s LEU 77 N -0.19 5.19 0.57 3.92 1.43 -1.26 -0.67 118.68 127.67 1qog s LEU 77 Ca -0.02 -1.13 0.29 0.00 -1.03 0.00 0.00 54.13 52.24 1qog s LEU 77 Cb -0.02 -2.37 1.74 0.00 0.03 0.00 0.00 46.19 45.57 1qog s LEU 77 CO 0.00 -0.93 2.21 0.71 0.23 0.00 0.00 176.35 178.57 1qog h THR 78 N 5.87 0.53 0.00 5.49 1.35 -1.88 -2.64 112.91 121.64 1qog h THR 78 Ca -0.28 -0.14 -0.02 0.00 -0.55 0.00 0.00 66.41 65.42 1qog h THR 78 Cb 1.09 1.09 -0.00 0.00 -1.73 0.00 0.00 68.15 68.60 1qog h THR 78 CO 1.00 0.03 -0.11 0.00 -0.25 0.00 0.00 175.52 176.19 1qog n VAL 80 N -3.48 1.30 -4.71 0.00 0.24 -1.01 -4.78 118.33 105.89 1qog n VAL 80 Ca -0.01 -2.02 -0.33 0.00 -2.04 0.00 0.00 64.34 59.93 1qog n VAL 80 Cb 0.26 0.16 -0.14 0.00 -1.47 0.00 0.00 33.84 32.64 1qog n VAL 80 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1qog s ALA 81 N -1.93 2.62 -0.14 2.33 0.00 -1.12 -4.39 121.76 119.13 1qog s ALA 81 Ca 0.30 -0.92 -0.06 0.00 0.00 0.00 0.00 51.96 51.28 1qog s ALA 81 Cb 0.30 -1.24 -0.04 0.00 0.00 0.00 0.00 23.12 22.14 1qog s ALA 81 CO -0.06 0.19 0.09 0.71 0.00 0.00 0.00 175.76 176.69 1qog s TYR 82 N 0.45 3.38 0.35 0.00 2.02 0.18 -1.22 117.35 122.51 1qog s TYR 82 Ca -0.10 0.30 -0.27 0.00 -0.37 0.00 0.00 57.07 56.64 1qog s TYR 82 Cb -0.16 -1.98 -0.09 0.00 -0.40 0.00 0.00 41.96 39.34 1qog s TYR 82 CO 0.05 0.46 1.12 -1.25 -1.57 0.00 0.00 175.55 174.35 1qog s PRO 83 N -0.42 4.31 0.00 -1.71 0.04 -1.26 0.40 135.00 136.35 1qog s PRO 83 Ca 0.10 1.76 0.05 0.00 0.04 0.00 0.00 61.00 62.95 1qog s PRO 83 Cb -0.12 -2.84 0.07 0.00 0.04 0.00 0.00 34.50 31.65 1qog s PRO 83 CO 0.02 -0.08 0.82 0.25 0.04 0.00 0.00 177.00 178.05 1qog n THR 84 N 0.47 0.37 -3.94 1.26 -2.24 -0.51 -4.67 114.28 105.02 1qog n THR 84 Ca 0.02 -0.68 0.00 0.00 -2.27 0.00 0.00 64.05 61.12 1qog n THR 84 Cb 0.46 0.88 0.01 0.00 -2.10 0.00 0.00 70.33 69.59 1qog n THR 84 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1qog s SER 85 N -0.63 0.00 0.29 3.42 1.04 -1.20 -4.86 113.70 111.77 1qog s SER 85 Ca 0.07 -0.38 -0.29 0.00 0.48 0.00 0.00 55.95 55.83 1qog s SER 85 Cb 0.05 0.28 -0.10 0.00 0.10 0.00 0.00 66.02 66.35 1qog s SER 85 CO 0.06 -0.56 1.34 -1.81 0.98 0.00 0.00 173.24 173.26 1qog s ASP 86 N -3.63 6.77 0.04 7.02 1.01 -1.26 -4.64 116.67 121.98 1qog s ASP 86 Ca 0.26 2.63 0.04 0.00 0.71 0.00 0.00 52.55 56.19 1qog s ASP 86 Cb -0.01 -2.64 -0.02 0.00 1.01 0.00 0.00 42.92 41.26 1qog s ASP 86 CO 0.01 -0.57 -0.12 -0.69 0.21 0.00 0.00 175.17 174.01 1qog s VAL 87 N -0.64 0.96 -0.16 -1.27 1.01 -0.22 -3.96 120.40 116.12 1qog s VAL 87 Ca 0.53 -1.01 0.01 0.00 0.00 0.00 0.00 61.98 61.51 1qog s VAL 87 Cb -0.40 -0.90 0.01 0.00 0.00 0.00 0.00 36.38 35.09 1qog s VAL 87 CO 0.48 -0.09 -0.20 -0.69 0.00 0.00 0.00 175.10 174.60 1qog s VAL 88 N -0.96 2.18 -0.04 2.92 1.01 -0.40 -0.51 120.40 124.60 1qog s VAL 88 Ca -0.01 -0.92 -0.04 0.00 0.00 0.00 0.00 61.98 61.00 1qog s VAL 88 Cb -0.08 -1.90 0.01 0.00 0.00 0.00 0.00 36.38 34.41 1qog s VAL 88 CO 0.01 0.54 0.12 -0.51 0.00 0.00 0.00 175.10 175.26 1qog s ILE 89 N 1.02 0.01 -0.16 2.22 2.07 0.35 -0.10 121.20 126.61 1qog s ILE 89 Ca -0.02 -0.11 -0.20 0.00 -1.41 0.00 0.00 60.65 58.91 1qog s ILE 89 Cb -0.14 -0.21 -0.03 0.00 0.13 0.00 0.00 42.46 42.20 1qog s ILE 89 CO -0.06 -0.06 0.59 -1.10 -1.91 0.00 0.00 174.94 172.40 1qog s GLN 90 N -0.15 4.27 0.72 3.50 -0.21 0.23 -0.73 119.66 127.28 1qog s GLN 90 Ca -0.02 0.59 -0.00 0.00 0.02 0.00 0.00 55.36 55.95 1qog s GLN 90 Cb -0.02 -3.53 0.13 0.00 1.00 0.00 0.00 33.01 30.59 1qog s GLN 90 CO 0.00 -0.10 0.98 0.95 -2.12 0.00 0.00 175.29 175.00 1qog s THR 91 N 1.45 2.12 -1.26 -0.19 -4.23 0.28 -0.46 115.64 113.35 1qog s THR 91 Ca 0.29 -0.62 -0.07 0.00 -1.18 0.00 0.00 61.69 60.10 1qog s THR 91 Cb -0.16 -2.50 -0.01 0.00 1.34 0.00 0.00 72.50 71.18 1qog s THR 91 CO 0.11 0.00 0.67 1.41 -0.54 0.00 0.00 174.62 176.28 1qog n HIS 92 N -2.80 -1.88 -0.98 3.99 8.25 -1.19 -4.76 115.22 115.85 1qog n HIS 92 Ca 0.15 0.69 0.08 0.00 -0.26 0.00 0.00 57.72 58.38 1qog n HIS 92 Cb 0.61 -3.90 0.30 0.00 1.12 0.00 0.00 29.99 28.12 1qog n HIS 92 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1qog n LYS 93 N -4.21 3.42 -0.18 -0.41 4.76 -0.65 -4.72 118.16 116.17 1qog n LYS 93 Ca -0.22 -2.93 -0.03 0.00 -2.87 0.00 0.00 58.31 52.26 1qog n LYS 93 Cb 0.65 -1.96 0.04 0.00 -1.84 0.00 0.00 35.03 31.92 1qog n LYS 93 CO 0.00 0.00 0.00 1.49 -1.37 0.00 0.00 177.40 177.52 1qog h GLU 94 N 2.36 -0.07 0.00 1.97 4.81 -1.75 -1.22 114.58 120.67 1qog h GLU 94 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1qog h GLU 94 Cb 1.59 0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.99 1qog h GLU 94 CO 0.30 -0.05 0.00 0.39 -0.73 0.00 0.00 179.01 178.92 1qog n GLU 95 N -5.42 0.19 0.00 1.92 1.02 -1.26 -2.05 120.64 115.04 1qog n GLU 95 Ca 0.05 0.08 0.14 0.00 -0.02 0.00 0.00 57.16 57.41 1qog n GLU 95 Cb 0.32 -1.50 0.63 0.00 -0.02 0.00 0.00 31.44 30.87 1qog n GLU 95 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1qog n ASP 96 N -1.10 0.34 0.01 1.62 9.92 -0.46 -3.65 116.55 123.23 1qog n ASP 96 Ca 0.05 -0.40 0.11 0.00 -0.53 0.00 0.00 54.79 54.01 1qog n ASP 96 Cb 0.04 -0.13 -0.11 0.00 -0.64 0.00 0.00 41.12 40.28 1qog n ASP 96 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1qog n LEU 97 N -1.09 0.39 -0.62 0.64 4.77 -0.87 -5.20 117.00 115.02 1qog n LEU 97 Ca 0.14 -0.06 0.13 0.00 -0.03 0.00 0.00 56.01 56.19 1qog n LEU 97 Cb 0.28 -0.02 0.40 0.00 -2.33 0.00 0.00 43.42 41.74 1qog n LEU 97 CO 0.24 0.04 0.80 -1.22 -1.33 0.00 0.00 177.39 175.92