#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qjb s LEU 33 N 0.00 3.99 0.12 1.09 1.43 -1.26 -4.90 118.68 119.14 2qjb s LEU 33 Ca 0.00 1.58 -0.35 0.00 -1.03 0.00 0.00 54.13 54.33 2qjb s LEU 33 Cb 0.00 -4.39 -0.15 0.00 0.03 0.00 0.00 46.19 41.68 2qjb s LEU 33 CO 0.00 -0.31 1.47 -2.65 0.23 0.00 0.00 176.35 175.09 2qjb n PRO 34 N -0.52 1.65 0.00 1.29 -0.02 -1.26 -4.55 135.00 131.59 2qjb n PRO 34 Ca 0.06 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 2qjb n PRO 34 Cb 0.54 -2.30 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 2qjb n PRO 34 CO 0.00 0.00 0.00 1.97 1.98 0.00 0.00 175.50 179.45 2qjb n PHE 35 N 3.03 0.00 -4.83 6.00 1.16 -0.50 -4.87 117.46 117.44 2qjb n PHE 35 Ca 0.18 0.00 -0.27 0.00 -1.87 0.00 0.00 57.45 55.49 2qjb n PHE 35 Cb 0.24 0.00 -0.16 0.00 -1.61 0.00 0.00 39.48 37.94 2qjb n PHE 35 CO 0.00 0.00 0.00 -1.17 -1.87 0.00 0.00 176.76 173.72 2qjb s LEU 36 N -0.02 1.86 -0.16 5.98 2.96 -0.59 -4.96 118.68 123.74 2qjb s LEU 36 Ca 0.00 -0.37 -0.08 0.00 -0.22 0.00 0.00 54.13 53.45 2qjb s LEU 36 Cb 0.00 -1.01 -0.05 0.00 0.50 0.00 0.00 46.19 45.64 2qjb s LEU 36 CO 0.00 0.12 0.13 -0.75 -1.32 0.00 0.00 176.35 174.53 2qjb s LYS 37 N 0.29 3.84 0.06 1.98 2.20 -1.26 -0.44 119.74 126.40 2qjb s LYS 37 Ca -0.10 -0.19 0.03 0.00 -0.36 0.00 0.00 55.97 55.36 2qjb s LYS 37 Cb -0.14 -3.30 -0.03 0.00 -1.51 0.00 0.00 37.83 32.85 2qjb s LYS 37 CO 0.04 0.51 -0.11 0.00 -0.36 0.00 0.00 175.35 175.44 2qjb s TYR 39 N -1.34 3.09 -0.01 0.00 4.12 -1.26 -1.34 117.35 120.60 2qjb s TYR 39 Ca -0.06 1.59 0.02 0.00 0.02 0.00 0.00 57.07 58.64 2qjb s TYR 39 Cb -0.10 -3.24 -0.00 0.00 -1.52 0.00 0.00 41.96 37.10 2qjb s TYR 39 CO 0.01 -1.03 -0.07 0.00 0.02 0.00 0.00 175.55 174.49 2qjb n SER 41 N 3.11 3.21 0.00 0.00 3.41 -0.18 -4.66 113.62 118.51 2qjb n SER 41 Ca -0.15 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.46 2qjb n SER 41 Cb 0.56 0.25 0.00 0.00 -0.26 0.00 0.00 64.21 64.76 2qjb n SER 41 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 2qjb n HIS 42 N -1.68 0.00 -1.27 7.33 8.25 -1.25 -4.76 115.22 121.84 2qjb n HIS 42 Ca 0.00 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.53 2qjb n HIS 42 Cb 0.34 0.00 0.18 0.00 1.12 0.00 0.00 29.99 31.63 2qjb n HIS 42 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2qjb n HIS 43 N -0.39 0.21 -1.94 4.41 8.25 -1.25 -5.04 115.22 119.48 2qjb n HIS 43 Ca 0.00 -1.20 -0.40 0.00 -0.26 0.00 0.00 57.72 55.86 2qjb n HIS 43 Cb 0.01 -0.23 0.00 0.00 1.12 0.00 0.00 29.99 30.89 2qjb n HIS 43 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2qjb s PRO 45 N -2.30 2.74 0.45 0.00 0.04 -1.26 -4.93 135.00 129.75 2qjb s PRO 45 Ca 0.58 1.56 0.18 0.00 0.04 0.00 0.00 61.00 63.36 2qjb s PRO 45 Cb -0.41 -1.93 1.13 0.00 0.04 0.00 0.00 34.50 33.34 2qjb s PRO 45 CO 0.53 -1.33 1.95 0.93 0.04 0.00 0.00 177.00 179.12 2qjb h GLU 46 N 0.23 0.30 -0.72 4.56 5.08 -2.00 -2.13 114.58 119.90 2qjb h GLU 46 Ca -0.48 -0.02 -0.13 0.00 -1.00 0.00 0.00 59.36 57.73 2qjb h GLU 46 Cb 1.27 -0.07 -0.08 0.00 0.50 0.00 0.00 28.75 30.37 2qjb h GLU 46 CO 0.54 0.20 0.16 -0.40 -1.00 0.00 0.00 179.01 178.51 2qjb n ASP 47 N -4.45 4.95 -4.62 1.42 5.75 -1.26 -4.99 116.55 113.34 2qjb n ASP 47 Ca 0.12 -3.03 -0.32 0.00 -0.01 0.00 0.00 54.79 51.55 2qjb n ASP 47 Cb 0.52 -0.71 0.14 0.00 -1.03 0.00 0.00 41.12 40.04 2qjb n ASP 47 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2qjb n ALA 48 N 0.15 -0.90 -3.89 2.12 0.00 -0.80 -5.01 120.51 112.17 2qjb n ALA 48 Ca 0.34 -0.48 -0.27 0.00 0.00 0.00 0.00 53.44 53.02 2qjb n ALA 48 Cb 1.26 -2.13 -0.17 0.00 0.00 0.00 0.00 19.45 18.41 2qjb n ALA 48 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2qjb s ILE 49 N -2.40 1.17 -1.65 0.00 -1.09 -0.82 -4.72 121.20 111.68 2qjb s ILE 49 Ca 0.67 -0.39 -0.17 0.00 -2.23 0.00 0.00 60.65 58.53 2qjb s ILE 49 Cb -0.25 -1.15 0.14 0.00 -1.58 0.00 0.00 42.46 39.62 2qjb s ILE 49 CO 0.57 0.39 0.85 0.59 -1.23 0.00 0.00 174.94 176.11 2qjb n ASN 50 N 4.81 -3.81 -3.49 3.58 3.02 -1.26 -0.48 115.26 117.63 2qjb n ASN 50 Ca -0.14 -0.93 -0.18 0.00 -0.03 0.00 0.00 54.58 53.30 2qjb n ASN 50 Cb 0.50 -3.09 0.08 0.00 -0.61 0.00 0.00 39.78 36.66 2qjb n ASN 50 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2qjb n ASN 51 N -2.69 -1.86 -3.96 6.41 3.02 -1.26 -4.96 115.26 109.96 2qjb n ASN 51 Ca 0.07 -0.66 -0.12 0.00 -0.03 0.00 0.00 54.58 53.83 2qjb n ASN 51 Cb 0.50 -4.90 -0.13 0.00 -0.61 0.00 0.00 39.78 34.64 2qjb n ASN 51 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2qjb s THR 52 N -3.43 0.24 0.19 3.41 2.01 0.37 -1.95 115.64 116.48 2qjb s THR 52 Ca 0.00 -0.52 0.05 0.00 0.31 0.00 0.00 61.69 61.53 2qjb s THR 52 Cb -0.00 -0.28 -0.05 0.00 0.01 0.00 0.00 72.50 72.18 2qjb s THR 52 CO 0.75 -0.19 -0.07 0.00 -0.69 0.00 0.00 174.62 174.41 2qjb s ILE 54 N -3.28 2.07 0.20 0.00 -4.36 -1.26 -1.58 121.20 112.98 2qjb s ILE 54 Ca 0.22 -1.86 -0.23 0.00 -0.26 0.00 0.00 60.65 58.52 2qjb s ILE 54 Cb 0.03 -1.92 0.05 0.00 1.25 0.00 0.00 42.46 41.87 2qjb s ILE 54 CO 0.05 -0.12 0.81 0.28 0.24 0.00 0.00 174.94 176.20 2qjb s THR 55 N -1.57 0.00 -1.62 8.37 -1.32 0.41 -4.96 115.64 114.95 2qjb s THR 55 Ca 0.15 -0.70 0.14 0.00 -1.21 0.00 0.00 61.69 60.08 2qjb s THR 55 Cb -0.08 -1.82 0.07 0.00 -1.51 0.00 0.00 72.50 69.16 2qjb s THR 55 CO 0.07 0.00 0.89 -0.46 -2.21 0.00 0.00 174.62 172.91 2qjb n ASN 56 N -0.44 1.94 0.00 8.08 6.94 -1.26 -1.41 115.26 129.11 2qjb n ASN 56 Ca -0.06 -1.47 0.00 0.00 -0.02 0.00 0.00 54.58 53.03 2qjb n ASN 56 Cb 0.60 0.18 0.00 0.00 -2.36 0.00 0.00 39.78 38.20 2qjb n ASN 56 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2qjb n GLY 57 N 0.92 0.26 3.09 4.83 0.00 -1.24 -4.62 105.19 108.43 2qjb n GLY 57 Ca 0.07 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.99 2qjb n GLY 57 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2qjb s HIS 58 N 2.37 0.65 0.42 1.61 3.76 -0.46 -4.90 115.29 118.75 2qjb s HIS 58 Ca 0.00 -0.75 -0.22 0.00 -0.15 0.00 0.00 55.06 53.95 2qjb s HIS 58 Cb 0.00 -0.40 -0.11 0.00 1.11 0.00 0.00 32.58 33.18 2qjb s HIS 58 CO 0.00 -0.18 0.96 0.00 -0.85 0.00 0.00 174.74 174.67 2qjb s PHE 60 N -2.06 1.48 -0.11 0.00 -0.12 0.34 -2.12 117.98 115.38 2qjb s PHE 60 Ca 0.61 -0.77 -0.06 0.00 -0.05 0.00 0.00 56.93 56.66 2qjb s PHE 60 Cb -0.12 -0.78 0.05 0.00 -0.63 0.00 0.00 43.02 41.54 2qjb s PHE 60 CO 0.16 0.11 0.26 0.99 -0.05 0.00 0.00 175.22 176.69 2qjb s THR 61 N -3.27 -0.04 0.01 -4.49 2.01 -0.43 -2.37 115.64 107.06 2qjb s THR 61 Ca 0.22 0.13 0.04 0.00 0.31 0.00 0.00 61.69 62.39 2qjb s THR 61 Cb 0.03 -0.40 -0.01 0.00 0.01 0.00 0.00 72.50 72.12 2qjb s THR 61 CO 0.05 0.06 -0.11 -0.32 -0.69 0.00 0.00 174.62 173.60 2qjb s MET 62 N 1.22 0.84 -0.12 4.92 0.00 0.27 -1.33 119.30 125.10 2qjb s MET 62 Ca -0.09 -0.51 -0.01 0.00 0.00 0.00 0.00 55.69 55.08 2qjb s MET 62 Cb -0.10 -0.81 -0.02 0.00 0.00 0.00 0.00 34.83 33.90 2qjb s MET 62 CO -0.09 0.21 -0.08 -1.50 0.00 0.00 0.00 175.02 173.56 2qjb s ILE 63 N -0.50 3.52 -0.05 10.11 1.10 0.25 -0.19 121.20 135.45 2qjb s ILE 63 Ca 0.02 -0.51 -0.00 0.00 -0.51 0.00 0.00 60.65 59.65 2qjb s ILE 63 Cb -0.06 -2.49 0.03 0.00 0.15 0.00 0.00 42.46 40.09 2qjb s ILE 63 CO 0.00 0.53 0.00 -0.70 -2.11 0.00 0.00 174.94 172.67 2qjb s GLU 64 N 0.01 0.42 0.13 3.50 2.12 -0.58 -1.47 118.70 122.83 2qjb s GLU 64 Ca -0.01 0.11 -0.10 0.00 0.36 0.00 0.00 54.97 55.33 2qjb s GLU 64 Cb -0.14 -0.70 -0.06 0.00 0.26 0.00 0.00 34.13 33.49 2qjb s GLU 64 CO 0.03 -0.21 0.45 -2.00 -0.54 0.00 0.00 175.26 172.99 2qjb s GLU 65 N 1.50 3.78 0.00 4.30 2.12 -0.75 -0.55 118.70 129.10 2qjb s GLU 65 Ca -0.03 0.20 0.00 0.00 0.36 0.00 0.00 54.97 55.50 2qjb s GLU 65 Cb -0.13 -2.89 0.00 0.00 0.26 0.00 0.00 34.13 31.37 2qjb s GLU 65 CO -0.03 0.48 0.00 -0.40 -0.54 0.00 0.00 175.26 174.77 2qjb n ASP 66 N 0.52 0.00 0.06 -1.70 5.68 -1.02 -4.47 116.55 115.63 2qjb n ASP 66 Ca -0.05 -0.01 -0.06 0.00 -0.50 0.00 0.00 54.79 54.17 2qjb n ASP 66 Cb 0.52 0.00 -0.11 0.00 -1.14 0.00 0.00 41.12 40.39 2qjb n ASP 66 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 2qjb h ASP 67 N 0.00 0.00 -2.12 -1.12 5.19 -1.98 -3.38 116.42 113.01 2qjb h ASP 67 Ca 0.00 0.00 -0.57 0.00 -0.62 0.00 0.00 57.03 55.84 2qjb h ASP 67 Cb 0.00 0.00 -0.41 0.00 0.18 0.00 0.00 39.33 39.10 2qjb h ASP 67 CO 0.00 0.96 -0.85 0.00 -3.12 0.00 0.00 179.24 176.24 2qjb n GLN 68 N -3.33 1.84 0.00 3.56 1.13 -1.26 -5.06 117.38 114.27 2qjb n GLN 68 Ca -0.00 -4.06 0.00 0.00 -1.94 0.00 0.00 57.00 51.00 2qjb n GLN 68 Cb 0.93 -1.84 0.00 0.00 0.11 0.00 0.00 30.24 29.44 2qjb n GLN 68 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2qjb n GLY 69 N 0.78 1.85 2.98 1.08 0.00 -1.26 -5.01 105.19 105.61 2qjb n GLY 69 Ca 0.27 -0.49 -0.53 0.00 0.00 0.00 0.00 46.02 45.26 2qjb n GLY 69 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2qjb n GLU 70 N 0.00 0.00 -4.58 1.61 4.07 -1.26 -4.42 120.64 116.06 2qjb n GLU 70 Ca 0.00 0.00 -0.34 0.00 -0.06 0.00 0.00 57.16 56.76 2qjb n GLU 70 Cb 0.00 -1.22 -0.12 0.00 -0.06 0.00 0.00 31.44 30.05 2qjb n GLU 70 CO 0.00 0.00 0.00 -0.08 -0.06 0.00 0.00 177.13 176.99 2qjb s THR 71 N 1.64 3.71 0.07 6.31 -1.32 -1.26 -2.43 115.64 122.35 2qjb s THR 71 Ca 0.82 -0.46 0.02 0.00 -1.21 0.00 0.00 61.69 60.85 2qjb s THR 71 Cb -1.16 -2.55 -0.03 0.00 -1.51 0.00 0.00 72.50 67.25 2qjb s THR 71 CO 0.60 0.57 -0.07 0.28 -2.21 0.00 0.00 174.62 173.79 2qjb s THR 72 N -0.45 0.58 -0.02 5.08 -1.32 0.29 -4.96 115.64 114.83 2qjb s THR 72 Ca 0.07 -1.60 0.06 0.00 -1.21 0.00 0.00 61.69 59.01 2qjb s THR 72 Cb -0.12 -1.25 -0.03 0.00 -1.51 0.00 0.00 72.50 69.59 2qjb s THR 72 CO 0.02 -0.71 -0.20 -0.22 -2.21 0.00 0.00 174.62 171.31 2qjb s LEU 73 N -2.48 2.45 0.05 9.08 2.96 -1.26 -1.53 118.68 127.95 2qjb s LEU 73 Ca 0.03 -0.35 0.00 0.00 -0.22 0.00 0.00 54.13 53.59 2qjb s LEU 73 Cb -0.00 -1.46 -0.03 0.00 0.50 0.00 0.00 46.19 45.19 2qjb s LEU 73 CO -0.03 0.32 -0.04 0.42 -1.32 0.00 0.00 176.35 175.69 2qjb s THR 74 N -0.73 0.30 0.05 3.68 -4.23 0.74 -4.69 115.64 110.76 2qjb s THR 74 Ca 0.12 -1.46 -0.27 0.00 -1.18 0.00 0.00 61.69 58.89 2qjb s THR 74 Cb -0.10 -1.04 0.09 0.00 1.34 0.00 0.00 72.50 72.78 2qjb s THR 74 CO 0.01 -0.75 0.88 -0.94 -0.54 0.00 0.00 174.62 173.28 2qjb s SER 75 N -2.32 -0.33 0.00 3.99 1.04 -1.26 0.98 113.70 115.80 2qjb s SER 75 Ca -0.02 -0.12 0.00 0.00 0.48 0.00 0.00 55.95 56.30 2qjb s SER 75 Cb -0.00 0.43 0.00 0.00 0.10 0.00 0.00 66.02 66.55 2qjb s SER 75 CO -0.05 -0.73 0.00 0.61 0.98 0.00 0.00 173.24 174.04 2qjb n GLY 76 N -0.32 -0.54 3.46 7.32 0.00 -1.00 -1.01 105.19 113.11 2qjb n GLY 76 Ca -0.09 -0.82 -0.33 0.00 0.00 0.00 0.00 46.02 44.78 2qjb n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qjb s LEU 78 N -0.59 3.51 0.86 0.00 1.43 0.10 -4.92 118.68 119.07 2qjb s LEU 78 Ca 0.08 -0.09 -0.14 0.00 -1.03 0.00 0.00 54.13 52.96 2qjb s LEU 78 Cb -0.11 -1.90 0.03 0.00 0.03 0.00 0.00 46.19 44.24 2qjb s LEU 78 CO 0.01 0.09 0.66 0.61 0.23 0.00 0.00 176.35 177.95 2qjb n GLY 79 N 4.10 -1.36 0.24 -3.19 0.00 -1.26 -1.35 105.19 102.37 2qjb n GLY 79 Ca -0.17 -0.59 -0.14 0.00 0.00 0.00 0.00 46.02 45.12 2qjb n GLY 79 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2qjb h LEU 80 N -1.13 0.88 -9.49 0.99 5.85 -1.91 -3.32 115.31 107.18 2qjb h LEU 80 Ca -0.45 -0.50 -0.53 0.00 0.84 0.00 0.00 57.88 57.25 2qjb h LEU 80 Cb 1.30 -0.25 0.02 0.00 0.37 0.00 0.00 40.66 42.10 2qjb h LEU 80 CO 0.39 1.21 0.76 -0.70 -0.34 0.00 0.00 178.44 179.76 2qjb s GLU 81 N -4.27 4.31 -0.22 1.25 2.12 -1.26 -1.48 118.70 119.15 2qjb s GLU 81 Ca -0.12 2.04 0.00 0.00 0.36 0.00 0.00 54.97 57.26 2qjb s GLU 81 Cb 0.10 -3.36 0.00 0.00 0.26 0.00 0.00 34.13 31.13 2qjb s GLU 81 CO 0.86 -0.48 0.00 0.41 -0.54 0.00 0.00 175.26 175.51 2qjb n GLY 82 N 3.55 0.47 0.30 -1.50 0.00 -1.26 -4.90 105.19 101.85 2qjb n GLY 82 Ca 0.12 -0.15 0.04 0.00 0.00 0.00 0.00 46.02 46.03 2qjb n GLY 82 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2qjb h SER 83 N 0.00 0.42 -0.11 1.61 4.64 -1.36 -2.79 113.55 115.96 2qjb h SER 83 Ca -0.04 -0.02 -0.05 0.00 -0.47 0.00 0.00 61.79 61.21 2qjb h SER 83 Cb 0.46 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.43 2qjb h SER 83 CO 0.06 0.33 -0.07 0.44 -0.87 0.00 0.00 176.83 176.73 2qjb h ASP 84 N 0.49 0.38 1.83 4.97 5.19 -1.91 0.37 116.42 127.74 2qjb h ASP 84 Ca 0.13 -0.08 -0.03 0.00 -0.62 0.00 0.00 57.03 56.44 2qjb h ASP 84 Cb -0.01 -0.10 -0.00 0.00 0.18 0.00 0.00 39.33 39.40 2qjb h ASP 84 CO -0.02 0.49 -0.17 -0.26 -3.12 0.00 0.00 179.24 176.16 2qjb h PHE 85 N 0.38 0.00 0.00 4.55 0.04 -1.89 -3.12 116.94 116.90 2qjb h PHE 85 Ca 0.08 0.00 -0.26 0.00 2.80 0.00 0.00 57.97 60.59 2qjb h PHE 85 Cb 0.36 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 38.47 2qjb h PHE 85 CO 0.01 0.12 -1.71 1.04 -0.60 0.00 0.00 178.31 177.18 2qjb n GLN 86 N -3.11 0.64 -0.80 1.51 6.02 -0.92 -4.07 117.38 116.64 2qjb n GLN 86 Ca 0.03 0.23 -0.08 0.00 -0.01 0.00 0.00 57.00 57.18 2qjb n GLN 86 Cb 0.58 -1.76 0.21 0.00 1.02 0.00 0.00 30.24 30.29 2qjb n GLN 86 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2qjb s ARG 88 N -2.38 1.98 -0.41 0.00 3.00 -1.18 -4.93 118.95 115.03 2qjb s ARG 88 Ca 0.41 -1.13 -0.14 0.00 0.00 0.00 0.00 55.73 54.87 2qjb s ARG 88 Cb 0.33 -2.21 0.03 0.00 0.00 0.00 0.00 34.95 33.11 2qjb s ARG 88 CO 0.10 0.48 0.30 -0.51 0.00 0.00 0.00 175.30 175.67 2qjb s ASP 89 N -2.31 6.05 1.07 0.23 1.11 -1.26 -5.01 116.67 116.55 2qjb s ASP 89 Ca 0.21 -1.00 -0.12 0.00 0.18 0.00 0.00 52.55 51.82 2qjb s ASP 89 Cb -0.10 -2.14 0.21 0.00 1.07 0.00 0.00 42.92 41.95 2qjb s ASP 89 CO 0.13 -0.47 0.91 0.41 1.18 0.00 0.00 175.17 177.32 2qjb n THR 90 N 5.14 0.00 -0.10 -1.27 -1.04 -1.26 -5.04 114.28 110.71 2qjb n THR 90 Ca -0.11 -0.27 -0.14 0.00 -2.04 0.00 0.00 64.05 61.48 2qjb n THR 90 Cb 0.46 -0.93 -0.09 0.00 -1.82 0.00 0.00 70.33 67.95 2qjb n THR 90 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 2qjb n PRO 91 N -4.20 0.49 -3.06 -2.82 -0.04 -1.26 -5.00 135.00 119.12 2qjb n PRO 91 Ca 0.06 0.12 -0.09 0.00 -0.04 0.00 0.00 63.50 63.55 2qjb n PRO 91 Cb 0.54 -1.38 -0.03 0.00 -0.04 0.00 0.00 33.50 32.59 2qjb n PRO 91 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2qjb s ILE 92 N -2.40 -0.65 0.00 0.52 1.01 -1.26 -5.08 121.20 113.34 2qjb s ILE 92 Ca -0.27 -1.10 0.00 0.00 0.00 0.00 0.00 60.65 59.28 2qjb s ILE 92 Cb 0.07 -0.34 0.00 0.00 0.01 0.00 0.00 42.46 42.21 2qjb s ILE 92 CO 0.45 -0.32 0.00 -2.65 0.00 0.00 0.00 174.94 172.42 2qjb n PRO 93 N 3.43 0.87 0.06 2.79 -0.02 -1.26 -5.03 135.00 135.85 2qjb n PRO 93 Ca 0.18 0.00 -0.11 0.00 -2.02 0.00 0.00 63.50 61.54 2qjb n PRO 93 Cb 0.53 0.00 -0.08 0.00 -0.02 0.00 0.00 33.50 33.93 2qjb n PRO 93 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2qjb h HIS 94 N -0.46 -0.21 -4.03 6.00 3.86 -2.01 -3.45 115.15 114.85 2qjb h HIS 94 Ca 0.00 -0.00 -0.59 0.00 -1.16 0.00 0.00 60.37 58.61 2qjb h HIS 94 Cb 0.00 0.07 -0.23 0.00 1.06 0.00 0.00 27.41 28.30 2qjb h HIS 94 CO 0.00 0.23 -0.84 -0.65 0.86 0.00 0.00 177.93 177.53 2qjb s GLN 95 N -3.67 1.29 0.55 2.45 1.11 -1.26 -5.07 119.66 115.07 2qjb s GLN 95 Ca -0.13 -1.11 -0.15 0.00 0.01 0.00 0.00 55.36 53.98 2qjb s GLN 95 Cb 0.01 -1.53 -0.07 0.00 -1.01 0.00 0.00 33.01 30.41 2qjb s GLN 95 CO 0.51 0.37 1.00 0.50 0.01 0.00 0.00 175.29 177.68 2qjb s ARG 96 N -1.64 3.83 0.10 2.91 6.06 -1.26 -4.80 118.95 124.14 2qjb s ARG 96 Ca 0.08 0.88 -0.25 0.00 -2.50 0.00 0.00 55.73 53.94 2qjb s ARG 96 Cb -0.10 -2.12 0.07 0.00 0.06 0.00 0.00 34.95 32.87 2qjb s ARG 96 CO 0.03 -0.38 0.62 -0.98 -2.50 0.00 0.00 175.30 172.09 2qjb s ARG 97 N -4.46 1.21 0.04 5.12 1.70 -1.26 -1.80 118.95 119.49 2qjb s ARG 97 Ca 0.58 -0.26 -0.00 0.00 -0.47 0.00 0.00 55.73 55.58 2qjb s ARG 97 Cb -0.10 0.56 -0.03 0.00 -0.57 0.00 0.00 34.95 34.80 2qjb s ARG 97 CO 0.39 -0.49 -0.04 0.45 -1.08 0.00 0.00 175.30 174.54 2qjb s SER 98 N -2.28 0.51 -0.00 -2.89 0.15 -0.54 -4.95 113.70 103.69 2qjb s SER 98 Ca -0.03 -0.78 0.00 0.00 0.70 0.00 0.00 55.95 55.84 2qjb s SER 98 Cb -0.01 0.14 -0.00 0.00 -1.71 0.00 0.00 66.02 64.44 2qjb s SER 98 CO -0.06 -0.44 -0.01 -0.51 1.20 0.00 0.00 173.24 173.42 2qjb s ILE 99 N -2.79 0.05 0.02 6.45 2.07 -1.26 -0.58 121.20 125.16 2qjb s ILE 99 Ca -0.02 -0.02 0.02 0.00 -1.41 0.00 0.00 60.65 59.22 2qjb s ILE 99 Cb -0.00 -0.05 -0.02 0.00 0.13 0.00 0.00 42.46 42.52 2qjb s ILE 99 CO -0.05 0.02 -0.07 -1.61 -1.91 0.00 0.00 174.94 171.31 2qjb s GLU 100 N 0.00 0.49 0.17 3.50 2.02 -0.44 -4.94 118.70 119.51 2qjb s GLU 100 Ca 0.00 -0.53 0.11 0.00 0.02 0.00 0.00 54.97 54.56 2qjb s GLU 100 Cb -0.00 -0.35 -0.04 0.00 0.10 0.00 0.00 34.13 33.84 2qjb s GLU 100 CO -0.00 0.08 -0.23 0.00 0.02 0.00 0.00 175.26 175.13 2qjb n ARG 103 N -0.38 2.51 -3.89 0.00 5.12 -1.26 -0.59 116.66 118.18 2qjb n ARG 103 Ca -0.05 -3.98 -0.11 0.00 -1.93 0.00 0.00 57.85 51.78 2qjb n ARG 103 Cb 0.62 -1.84 -0.12 0.00 -1.16 0.00 0.00 32.46 29.95 2qjb n ARG 103 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 2qjb s THR 104 N -4.51 0.04 -0.37 0.55 -4.23 -1.26 -5.06 115.64 100.80 2qjb s THR 104 Ca 0.39 -0.34 -0.44 0.00 -1.18 0.00 0.00 61.69 60.13 2qjb s THR 104 Cb 0.42 -0.19 -0.18 0.00 1.34 0.00 0.00 72.50 73.89 2qjb s THR 104 CO -0.09 -0.19 1.64 0.59 -0.54 0.00 0.00 174.62 176.03 2qjb n ASN 105 N 2.43 1.67 -1.02 3.99 3.02 -1.26 -0.62 115.26 123.47 2qjb n ASN 105 Ca -0.17 1.14 -0.13 0.00 -0.03 0.00 0.00 54.58 55.39 2qjb n ASN 105 Cb 0.58 -1.00 -0.06 0.00 -0.61 0.00 0.00 39.78 38.69 2qjb n ASN 105 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2qjb n LEU 106 N 4.46 -0.89 0.29 3.41 4.77 0.58 -4.86 117.00 124.76 2qjb n LEU 106 Ca 0.28 0.33 0.18 0.00 -0.03 0.00 0.00 56.01 56.77 2qjb n LEU 106 Cb 0.03 -2.18 0.89 0.00 -2.33 0.00 0.00 43.42 39.83 2qjb n LEU 106 CO 0.84 -0.78 1.06 0.00 -1.33 0.00 0.00 177.39 177.18 2qjb n ASN 108 N -3.30 0.00 0.00 0.00 6.94 -1.26 -2.40 115.26 115.24 2qjb n ASN 108 Ca -0.02 0.16 0.13 0.00 -0.02 0.00 0.00 54.58 54.83 2qjb n ASN 108 Cb 0.20 -0.38 0.56 0.00 -2.36 0.00 0.00 39.78 37.80 2qjb n ASN 108 CO 0.00 0.00 0.00 1.67 -1.03 0.00 0.00 177.26 177.90 2qjb n GLN 109 N -1.38 0.01 0.00 -3.83 7.27 -1.20 -2.84 117.38 115.42 2qjb n GLN 109 Ca 0.10 0.05 0.12 0.00 0.07 0.00 0.00 57.00 57.34 2qjb n GLN 109 Cb 0.24 -1.50 0.19 0.00 2.41 0.00 0.00 30.24 31.58 2qjb n GLN 109 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 2qjb n TYR 110 N -1.49 0.00 -3.25 3.69 4.01 -1.01 -4.84 117.16 114.27 2qjb n TYR 110 Ca 0.07 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.42 2qjb n TYR 110 Cb 0.30 -0.13 -0.06 0.00 -0.31 0.00 0.00 39.34 39.15 2qjb n TYR 110 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 2qjb s LEU 111 N -2.75 4.47 -0.36 7.72 1.43 -1.13 -5.05 118.68 123.01 2qjb s LEU 111 Ca 0.16 1.20 0.02 0.00 -1.03 0.00 0.00 54.13 54.48 2qjb s LEU 111 Cb 0.18 -2.89 0.15 0.00 0.03 0.00 0.00 46.19 43.66 2qjb s LEU 111 CO 0.65 0.20 0.32 0.00 0.23 0.00 0.00 176.35 177.75 2qjb s GLN 112 N -0.67 0.60 0.51 1.70 -2.07 -1.26 -5.01 119.66 113.45 2qjb s GLN 112 Ca 0.30 -0.97 -0.19 0.00 -1.82 0.00 0.00 55.36 52.68 2qjb s GLN 112 Cb -0.19 -0.90 -0.08 0.00 -1.09 0.00 0.00 33.01 30.76 2qjb s GLN 112 CO 0.18 -1.19 1.02 -2.14 -1.32 0.00 0.00 175.29 171.83 2qjb s PRO 113 N 1.36 3.78 0.13 9.60 0.02 -1.26 -5.08 135.00 143.55 2qjb s PRO 113 Ca 0.17 1.22 0.05 0.00 0.02 0.00 0.00 61.00 62.45 2qjb s PRO 113 Cb -0.18 -2.10 -0.04 0.00 0.02 0.00 0.00 34.50 32.20 2qjb s PRO 113 CO -0.03 -0.43 -0.11 0.95 -0.33 0.00 0.00 177.00 177.04 2qjb s THR 114 N -2.23 1.14 0.16 0.99 -4.23 -1.26 -4.76 115.64 105.43 2qjb s THR 114 Ca 0.64 -1.85 -0.30 0.00 -1.18 0.00 0.00 61.69 59.00 2qjb s THR 114 Cb -0.14 -1.62 -0.07 0.00 1.34 0.00 0.00 72.50 72.01 2qjb s THR 114 CO 0.25 -0.61 1.02 -0.76 -0.54 0.00 0.00 174.62 173.97 2qjb s LEU 115 N -2.78 4.52 0.00 4.79 1.02 -1.26 -4.72 118.68 120.25 2qjb s LEU 115 Ca 0.11 1.94 0.00 0.00 0.02 0.00 0.00 54.13 56.20 2qjb s LEU 115 Cb -0.01 -3.60 0.00 0.00 0.02 0.00 0.00 46.19 42.60 2qjb s LEU 115 CO 0.01 -0.10 0.38 -0.81 0.02 0.00 0.00 176.35 175.85