#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qja s LEU 33 N 0.00 2.91 0.37 3.22 2.01 -1.26 -4.91 118.68 121.03 2qja s LEU 33 Ca 0.00 2.18 -0.27 0.00 0.01 0.00 0.00 54.13 56.05 2qja s LEU 33 Cb 0.00 -4.57 -0.12 0.00 0.01 0.00 0.00 46.19 41.52 2qja s LEU 33 CO 0.00 -2.93 1.19 -0.81 1.01 0.00 0.00 176.35 174.82 2qja n PRO 34 N -4.02 1.83 0.00 1.29 -0.04 -1.26 -4.62 135.00 128.18 2qja n PRO 34 Ca 0.12 0.65 0.00 0.00 -0.04 0.00 0.00 63.50 64.22 2qja n PRO 34 Cb 0.52 -2.22 0.00 0.00 -0.04 0.00 0.00 33.50 31.76 2qja n PRO 34 CO 0.00 0.00 0.00 1.97 -0.04 0.00 0.00 175.50 177.43 2qja n PHE 35 N 0.04 0.00 -4.29 0.54 1.16 -0.52 -4.87 117.46 109.52 2qja n PHE 35 Ca 0.07 0.00 -0.35 0.00 -1.87 0.00 0.00 57.45 55.30 2qja n PHE 35 Cb 0.37 0.00 -0.09 0.00 -1.61 0.00 0.00 39.48 38.15 2qja n PHE 35 CO 0.00 0.00 0.00 -1.17 -1.87 0.00 0.00 176.76 173.72 2qja s LEU 36 N 0.00 3.70 -0.17 5.98 1.98 -0.36 -4.96 118.68 124.86 2qja s LEU 36 Ca 0.00 0.18 -0.04 0.00 -2.89 0.00 0.00 54.13 51.37 2qja s LEU 36 Cb 0.00 -1.90 -0.03 0.00 0.66 0.00 0.00 46.19 44.93 2qja s LEU 36 CO 0.00 0.37 -0.02 -0.75 -1.89 0.00 0.00 176.35 174.06 2qja s LYS 37 N -1.01 3.69 0.15 1.98 2.20 -1.26 -1.15 119.74 124.34 2qja s LYS 37 Ca 0.15 -0.50 0.07 0.00 -0.36 0.00 0.00 55.97 55.33 2qja s LYS 37 Cb -0.11 -2.99 -0.04 0.00 -1.51 0.00 0.00 37.83 33.18 2qja s LYS 37 CO 0.04 0.18 -0.16 0.00 -0.36 0.00 0.00 175.35 175.05 2qja s TYR 39 N -2.19 3.19 0.04 0.00 5.04 -1.26 -1.51 117.35 120.65 2qja s TYR 39 Ca 0.14 1.42 -0.15 0.00 -2.44 0.00 0.00 57.07 56.04 2qja s TYR 39 Cb -0.05 -2.87 0.02 0.00 0.35 0.00 0.00 41.96 39.42 2qja s TYR 39 CO 0.05 -1.10 0.33 0.00 -1.34 0.00 0.00 175.55 173.48 2qja s SER 41 N -1.96 -0.71 0.00 0.00 0.15 -0.33 -4.72 113.70 106.14 2qja s SER 41 Ca -0.06 0.82 0.00 0.00 0.70 0.00 0.00 55.95 57.41 2qja s SER 41 Cb -0.01 1.74 0.00 0.00 -1.71 0.00 0.00 66.02 66.04 2qja s SER 41 CO -0.02 -0.13 0.00 0.61 1.20 0.00 0.00 173.24 174.89 2qja n GLY 42 N 5.15 1.83 0.92 9.45 0.00 -1.26 -1.75 105.19 119.54 2qja n GLY 42 Ca -0.08 -0.02 0.08 0.00 0.00 0.00 0.00 46.02 46.00 2qja n GLY 42 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2qja n HIS 43 N 0.00 0.98 -2.05 1.61 8.25 -1.24 -5.02 115.22 117.74 2qja n HIS 43 Ca 0.00 -0.89 -0.38 0.00 -0.26 0.00 0.00 57.72 56.19 2qja n HIS 43 Cb 0.00 -0.32 0.01 0.00 1.12 0.00 0.00 29.99 30.79 2qja n HIS 43 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2qja s PRO 45 N -2.62 3.55 0.10 0.00 0.04 -1.26 -4.92 135.00 129.89 2qja s PRO 45 Ca 0.64 0.98 0.10 0.00 0.04 0.00 0.00 61.00 62.76 2qja s PRO 45 Cb -0.35 -2.07 0.50 0.00 0.04 0.00 0.00 34.50 32.61 2qja s PRO 45 CO 0.43 -0.61 1.32 -0.25 0.04 0.00 0.00 177.00 177.93 2qja n ASP 46 N -2.19 0.20 -0.92 6.66 10.43 -1.26 -1.89 116.55 127.58 2qja n ASP 46 Ca 0.07 0.58 0.01 0.00 2.57 0.00 0.00 54.79 58.02 2qja n ASP 46 Cb 0.54 -0.61 0.20 0.00 1.84 0.00 0.00 41.12 43.09 2qja n ASP 46 CO 0.00 0.00 0.00 -0.90 -1.07 0.00 0.00 177.20 175.23 2qja n ASP 47 N -1.75 2.52 -4.73 -2.24 5.75 -1.26 -5.03 116.55 109.81 2qja n ASP 47 Ca 0.01 -3.63 -0.42 0.00 -0.01 0.00 0.00 54.79 50.74 2qja n ASP 47 Cb 0.06 -0.58 -0.00 0.00 -1.03 0.00 0.00 41.12 39.57 2qja n ASP 47 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2qja n ALA 48 N -1.06 1.71 -2.70 2.12 0.00 -0.79 -4.99 120.51 114.79 2qja n ALA 48 Ca 0.27 0.35 -0.37 0.00 0.00 0.00 0.00 53.44 53.70 2qja n ALA 48 Cb 0.91 -2.32 -0.10 0.00 0.00 0.00 0.00 19.45 17.95 2qja n ALA 48 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2qja s ILE 49 N -1.11 5.20 -1.16 0.00 1.09 -0.97 -4.44 121.20 119.81 2qja s ILE 49 Ca 0.55 0.13 -0.07 0.00 -1.10 0.00 0.00 60.65 60.15 2qja s ILE 49 Cb -0.53 -3.43 0.01 0.00 -1.06 0.00 0.00 42.46 37.45 2qja s ILE 49 CO 0.63 0.34 0.14 0.59 -0.10 0.00 0.00 174.94 176.54 2qja n ASN 50 N 4.41 -0.27 -3.60 3.58 4.13 -1.26 0.08 115.26 122.33 2qja n ASN 50 Ca -0.15 -1.02 -0.25 0.00 1.68 0.00 0.00 54.58 54.84 2qja n ASN 50 Cb 0.52 -1.26 0.07 0.00 -1.54 0.00 0.00 39.78 37.57 2qja n ASN 50 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 2qja n ASN 51 N -2.03 -6.11 -4.17 6.41 3.02 -1.26 -4.94 115.26 106.17 2qja n ASN 51 Ca -0.22 -0.55 -0.16 0.00 -0.03 0.00 0.00 54.58 53.62 2qja n ASN 51 Cb 0.53 -4.83 -0.11 0.00 -0.61 0.00 0.00 39.78 34.75 2qja n ASN 51 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2qja s THR 52 N -3.30 1.02 0.34 3.41 -4.23 0.11 -1.53 115.64 111.45 2qja s THR 52 Ca 0.58 -1.45 0.06 0.00 -1.18 0.00 0.00 61.69 59.70 2qja s THR 52 Cb -0.26 -1.17 -0.07 0.00 1.34 0.00 0.00 72.50 72.34 2qja s THR 52 CO 0.71 -0.38 -0.01 0.00 -0.54 0.00 0.00 174.62 174.41 2qja s ILE 54 N -2.98 1.43 0.28 0.00 1.09 -1.26 -1.50 121.20 118.26 2qja s ILE 54 Ca 0.34 -0.75 -0.13 0.00 -1.10 0.00 0.00 60.65 59.00 2qja s ILE 54 Cb 0.07 -1.21 0.01 0.00 -1.06 0.00 0.00 42.46 40.27 2qja s ILE 54 CO 0.15 0.41 0.56 0.28 -0.10 0.00 0.00 174.94 176.24 2qja s THR 55 N -0.24 0.00 -1.88 2.92 -1.32 -0.30 -4.97 115.64 109.85 2qja s THR 55 Ca 0.03 -1.31 0.17 0.00 -1.21 0.00 0.00 61.69 59.37 2qja s THR 55 Cb -0.09 -2.28 0.28 0.00 -1.51 0.00 0.00 72.50 68.90 2qja s THR 55 CO 0.00 0.00 1.20 -0.46 -2.21 0.00 0.00 174.62 173.15 2qja n ASN 56 N -0.62 2.88 0.00 8.08 6.94 -1.26 -1.22 115.26 130.06 2qja n ASN 56 Ca -0.02 -1.84 0.00 0.00 -0.02 0.00 0.00 54.58 52.69 2qja n ASN 56 Cb 0.61 -0.15 0.00 0.00 -2.36 0.00 0.00 39.78 37.88 2qja n ASN 56 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2qja n GLY 57 N 1.03 0.23 3.05 4.83 0.00 -1.21 -4.25 105.19 108.86 2qja n GLY 57 Ca 0.14 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.05 2qja n GLY 57 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2qja s HIS 58 N 1.77 0.12 0.29 1.61 3.76 -0.19 -4.80 115.29 117.85 2qja s HIS 58 Ca 0.00 -0.26 -0.29 0.00 -0.15 0.00 0.00 55.06 54.35 2qja s HIS 58 Cb 0.00 -0.10 -0.10 0.00 1.11 0.00 0.00 32.58 33.49 2qja s HIS 58 CO 0.00 -0.23 1.18 0.00 -0.85 0.00 0.00 174.74 174.84 2qja s PHE 60 N -1.06 1.81 0.11 0.00 -0.12 -0.53 -2.50 117.98 115.69 2qja s PHE 60 Ca 0.47 -0.57 0.03 0.00 -0.05 0.00 0.00 56.93 56.81 2qja s PHE 60 Cb -0.35 -0.86 -0.04 0.00 -0.63 0.00 0.00 43.02 41.14 2qja s PHE 60 CO 0.45 0.38 -0.09 0.00 -0.05 0.00 0.00 175.22 175.91 2qja s ALA 61 N -2.93 1.16 -0.20 1.99 0.00 -0.85 -2.29 121.76 118.65 2qja s ALA 61 Ca 0.24 -1.30 -0.16 0.00 0.00 0.00 0.00 51.96 50.74 2qja s ALA 61 Cb -0.01 0.07 0.05 0.00 0.00 0.00 0.00 23.12 23.24 2qja s ALA 61 CO 0.08 -0.10 0.51 -1.50 0.00 0.00 0.00 175.76 174.75 2qja s ILE 62 N -2.95 -0.01 -0.16 0.00 2.07 0.30 -2.01 121.20 118.45 2qja s ILE 62 Ca 0.10 0.02 -0.01 0.00 -1.41 0.00 0.00 60.65 59.35 2qja s ILE 62 Cb 0.00 -0.72 -0.01 0.00 0.13 0.00 0.00 42.46 41.87 2qja s ILE 62 CO -0.01 0.01 -0.11 -0.51 -1.91 0.00 0.00 174.94 172.41 2qja s ILE 63 N 0.65 3.08 0.35 2.00 2.07 -0.78 -1.25 121.20 127.33 2qja s ILE 63 Ca -0.03 -0.63 0.09 0.00 -1.41 0.00 0.00 60.65 58.67 2qja s ILE 63 Cb -0.05 -2.33 -0.06 0.00 0.13 0.00 0.00 42.46 40.16 2qja s ILE 63 CO -0.04 0.50 -0.02 -1.61 -1.91 0.00 0.00 174.94 171.85 2qja s GLU 64 N 0.72 1.98 -0.15 3.50 2.02 -0.14 -2.48 118.70 124.16 2qja s GLU 64 Ca -0.05 -1.85 -0.00 0.00 0.02 0.00 0.00 54.97 53.09 2qja s GLU 64 Cb -0.15 -1.82 0.03 0.00 0.10 0.00 0.00 34.13 32.29 2qja s GLU 64 CO 0.02 0.11 -0.08 -2.00 0.02 0.00 0.00 175.26 173.33 2qja s GLU 65 N -3.68 1.64 0.00 1.61 2.12 -1.08 -1.46 118.70 117.85 2qja s GLU 65 Ca 0.34 -0.46 0.00 0.00 0.36 0.00 0.00 54.97 55.21 2qja s GLU 65 Cb 0.02 -1.91 0.00 0.00 0.26 0.00 0.00 34.13 32.49 2qja s GLU 65 CO 0.18 -0.35 0.00 -0.40 -0.54 0.00 0.00 175.26 174.16 2qja n ASP 66 N 4.87 0.00 0.03 -1.70 5.75 -1.25 -4.67 116.55 119.58 2qja n ASP 66 Ca -0.13 0.00 0.11 0.00 -0.01 0.00 0.00 54.79 54.76 2qja n ASP 66 Cb 0.49 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.55 2qja n ASP 66 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 2qja n ASP 67 N 0.00 0.55 0.04 -1.12 8.00 -1.26 -4.03 116.55 118.73 2qja n ASP 67 Ca 0.00 -0.13 0.11 0.00 0.71 0.00 0.00 54.79 55.49 2qja n ASP 67 Cb 0.00 0.99 -0.09 0.00 -0.02 0.00 0.00 41.12 42.01 2qja n ASP 67 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2qja n GLN 68 N -2.11 0.60 0.00 -1.24 3.00 -1.26 -4.95 117.38 111.42 2qja n GLN 68 Ca 0.01 -0.05 0.00 0.00 -0.01 0.00 0.00 57.00 56.94 2qja n GLN 68 Cb 0.48 -1.65 0.00 0.00 0.00 0.00 0.00 30.24 29.07 2qja n GLN 68 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2qja n GLY 69 N 1.24 0.12 3.56 1.08 0.00 -1.26 -5.01 105.19 104.92 2qja n GLY 69 Ca -0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.61 2qja n GLY 69 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2qja s GLU 70 N -0.92 2.75 0.17 1.61 2.12 -1.26 -4.75 118.70 118.41 2qja s GLU 70 Ca 0.00 0.84 -0.01 0.00 0.36 0.00 0.00 54.97 56.16 2qja s GLU 70 Cb 0.00 -4.36 0.03 0.00 0.26 0.00 0.00 34.13 30.07 2qja s GLU 70 CO 0.00 -2.57 0.23 0.25 -0.54 0.00 0.00 175.26 172.63 2qja n THR 71 N 7.31 0.00 -3.60 -1.70 -2.24 -1.26 -3.85 114.28 108.93 2qja n THR 71 Ca 0.22 -0.31 -0.10 0.00 -2.27 0.00 0.00 64.05 61.59 2qja n THR 71 Cb 0.51 -1.41 -0.06 0.00 -2.10 0.00 0.00 70.33 67.27 2qja n THR 71 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2qja s THR 72 N -0.73 0.00 -0.18 4.28 -1.32 -0.54 -4.94 115.64 112.21 2qja s THR 72 Ca 0.15 0.00 0.01 0.00 -1.21 0.00 0.00 61.69 60.64 2qja s THR 72 Cb -0.01 -1.00 0.02 0.00 -1.51 0.00 0.00 72.50 70.00 2qja s THR 72 CO 0.10 0.00 -0.20 -0.22 -2.21 0.00 0.00 174.62 172.09 2qja s LEU 73 N -0.45 2.16 0.25 9.08 1.98 -1.26 -0.96 118.68 129.47 2qja s LEU 73 Ca 0.00 -0.65 0.03 0.00 -2.89 0.00 0.00 54.13 50.62 2qja s LEU 73 Cb -0.03 -1.48 -0.05 0.00 0.66 0.00 0.00 46.19 45.29 2qja s LEU 73 CO -0.02 -0.00 0.02 0.42 -1.89 0.00 0.00 176.35 174.88 2qja s THR 74 N 1.29 0.98 0.15 3.68 -4.23 -0.38 -4.95 115.64 112.19 2qja s THR 74 Ca 0.05 -2.02 -0.24 0.00 -1.18 0.00 0.00 61.69 58.29 2qja s THR 74 Cb -0.13 -2.44 0.06 0.00 1.34 0.00 0.00 72.50 71.33 2qja s THR 74 CO -0.13 -0.24 0.75 -0.94 -0.54 0.00 0.00 174.62 173.53 2qja s SER 75 N -3.33 -0.39 0.00 3.99 1.04 -0.71 -0.53 113.70 113.77 2qja s SER 75 Ca 0.31 -0.22 0.00 0.00 0.48 0.00 0.00 55.95 56.52 2qja s SER 75 Cb 0.06 0.57 0.00 0.00 0.10 0.00 0.00 66.02 66.75 2qja s SER 75 CO 0.10 -0.98 0.00 0.61 0.98 0.00 0.00 173.24 173.96 2qja n GLY 76 N -0.39 -0.85 3.43 7.32 0.00 -0.97 -1.19 105.19 112.55 2qja n GLY 76 Ca -0.10 -0.17 -0.32 0.00 0.00 0.00 0.00 46.02 45.43 2qja n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qja s LEU 78 N -0.86 2.22 0.45 0.00 1.43 0.12 -4.93 118.68 117.12 2qja s LEU 78 Ca 0.12 -0.50 -0.25 0.00 -1.03 0.00 0.00 54.13 52.47 2qja s LEU 78 Cb -0.10 -1.45 -0.08 0.00 0.03 0.00 0.00 46.19 44.59 2qja s LEU 78 CO 0.01 0.18 1.36 -0.83 0.23 0.00 0.00 176.35 177.30 2qja s GLY 79 N 0.25 2.91 0.29 -3.19 0.00 -1.26 -1.03 107.32 105.30 2qja s GLY 79 Ca -0.15 1.34 0.01 0.00 0.00 0.00 0.00 44.72 45.92 2qja s GLY 79 CO 0.07 1.92 1.60 -2.00 0.00 0.00 0.00 173.10 174.69 2qja h LEU 80 N 2.28 -0.33 -9.55 0.66 7.12 -1.87 -3.24 115.31 110.38 2qja h LEU 80 Ca -0.50 0.25 -0.53 0.00 0.13 0.00 0.00 57.88 57.23 2qja h LEU 80 Cb 1.26 0.41 0.01 0.00 -0.53 0.00 0.00 40.66 41.81 2qja h LEU 80 CO 0.61 -0.29 0.57 -0.70 -0.13 0.00 0.00 178.44 178.50 2qja s GLU 81 N -6.00 4.45 0.00 1.25 2.12 -1.26 -2.41 118.70 116.86 2qja s GLU 81 Ca -0.13 1.82 0.00 0.00 0.36 0.00 0.00 54.97 57.02 2qja s GLU 81 Cb 0.27 -3.30 0.00 0.00 0.26 0.00 0.00 34.13 31.36 2qja s GLU 81 CO 0.77 -0.20 0.00 0.41 -0.54 0.00 0.00 175.26 175.70 2qja n GLY 82 N 2.87 0.16 0.21 -1.50 0.00 -1.26 -4.87 105.19 100.81 2qja n GLY 82 Ca 0.07 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.05 2qja n GLY 82 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2qja h SER 83 N 0.00 0.42 0.04 1.61 4.64 -1.50 -1.58 113.55 117.19 2qja h SER 83 Ca 0.00 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 2qja h SER 83 Cb 0.67 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.69 2qja h SER 83 CO 0.00 0.29 0.00 -2.24 -0.87 0.00 0.00 176.83 174.01 2qja h ASP 84 N 0.55 0.00 0.02 4.97 2.03 -1.89 0.62 116.42 122.71 2qja h ASP 84 Ca 0.22 0.00 -0.27 0.00 -0.73 0.00 0.00 57.03 56.25 2qja h ASP 84 Cb 0.10 0.00 0.02 0.00 -0.83 0.00 0.00 39.33 38.62 2qja h ASP 84 CO -0.13 0.00 -1.08 -0.26 -1.03 0.00 0.00 179.24 176.74 2qja h PHE 85 N 0.00 1.05 0.00 4.15 0.04 -1.68 -3.26 116.94 117.23 2qja h PHE 85 Ca 0.00 -0.58 -0.13 0.00 2.80 0.00 0.00 57.97 60.06 2qja h PHE 85 Cb 0.02 -0.11 -0.02 0.00 2.20 0.00 0.00 35.95 38.04 2qja h PHE 85 CO 0.00 1.42 -0.93 1.96 -0.60 0.00 0.00 178.31 180.16 2qja h GLN 86 N 0.38 0.00 0.12 1.51 4.20 -0.82 -3.34 115.11 117.17 2qja h GLN 86 Ca -0.14 0.00 -0.28 0.00 0.06 0.00 0.00 58.65 58.29 2qja h GLN 86 Cb 1.73 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.51 2qja h GLN 86 CO 0.21 0.38 -1.28 0.00 -0.67 0.00 0.00 178.83 177.46 2qja s ARG 88 N -2.65 4.17 -0.30 0.00 3.00 -1.23 -4.78 118.95 117.15 2qja s ARG 88 Ca -0.05 2.49 -0.16 0.00 0.00 0.00 0.00 55.73 58.01 2qja s ARG 88 Cb 0.07 -2.99 -0.02 0.00 0.00 0.00 0.00 34.95 32.01 2qja s ARG 88 CO 0.88 -0.45 0.44 -0.51 0.00 0.00 0.00 175.30 175.65 2qja s ASP 89 N -0.21 6.29 -0.33 0.23 1.01 -1.26 -5.01 116.67 117.39 2qja s ASP 89 Ca 0.52 0.15 -0.10 0.00 0.71 0.00 0.00 52.55 53.84 2qja s ASP 89 Cb -0.45 -2.24 0.00 0.00 1.01 0.00 0.00 42.92 41.25 2qja s ASP 89 CO 0.60 -0.31 0.16 0.28 0.21 0.00 0.00 175.17 176.11 2qja s THR 90 N 2.20 4.53 1.00 -1.27 -1.32 -1.26 -5.12 115.64 114.40 2qja s THR 90 Ca 0.17 -0.57 -0.12 0.00 -1.21 0.00 0.00 61.69 59.96 2qja s THR 90 Cb -0.16 -3.37 0.19 0.00 -1.51 0.00 0.00 72.50 67.65 2qja s THR 90 CO 0.11 -0.02 1.08 -2.16 -2.21 0.00 0.00 174.62 171.43 2qja s PRO 91 N 1.58 0.37 -0.72 7.08 0.04 -1.26 -4.42 135.00 137.67 2qja s PRO 91 Ca 0.04 0.98 -0.10 0.00 0.04 0.00 0.00 61.00 61.95 2qja s PRO 91 Cb -0.18 -1.69 0.01 0.00 0.04 0.00 0.00 34.50 32.68 2qja s PRO 91 CO 0.06 -2.90 0.19 -0.89 0.04 0.00 0.00 177.00 173.50 2qja n ILE 92 N -4.36 -0.97 -0.00 0.56 5.41 -1.26 -5.03 119.36 113.71 2qja n ILE 92 Ca 0.07 -0.29 0.00 0.00 1.00 0.00 0.00 62.75 63.53 2qja n ILE 92 Cb 0.54 -0.86 0.00 0.00 -0.71 0.00 0.00 39.64 38.61 2qja n ILE 92 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 2qja n PRO 93 N -3.01 0.19 0.27 0.38 -0.02 -1.26 -4.86 135.00 126.69 2qja n PRO 93 Ca -0.11 0.00 0.11 0.00 -2.02 0.00 0.00 63.50 61.47 2qja n PRO 93 Cb 0.33 0.00 0.73 0.00 -0.02 0.00 0.00 33.50 34.54 2qja n PRO 93 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2qja h HIS 94 N -1.26 0.00 -3.39 6.00 3.86 -1.99 -3.45 115.15 114.92 2qja h HIS 94 Ca 0.00 0.00 -0.43 0.00 -1.16 0.00 0.00 60.37 58.78 2qja h HIS 94 Cb 0.00 0.00 -0.14 0.00 1.06 0.00 0.00 27.41 28.33 2qja h HIS 94 CO 0.00 0.03 -0.59 -0.65 0.86 0.00 0.00 177.93 177.58 2qja s GLN 95 N -4.80 1.59 -0.04 2.45 -0.21 -1.26 -5.14 119.66 112.25 2qja s GLN 95 Ca -0.05 -1.90 -0.16 0.00 0.02 0.00 0.00 55.36 53.28 2qja s GLN 95 Cb 0.16 -0.44 -0.05 0.00 1.00 0.00 0.00 33.01 33.68 2qja s GLN 95 CO 0.62 -0.33 0.42 1.03 -2.12 0.00 0.00 175.29 174.92 2qja s ARG 96 N -3.90 4.07 0.18 2.91 0.52 -1.26 -4.69 118.95 116.77 2qja s ARG 96 Ca 0.35 0.41 -0.21 0.00 -0.52 0.00 0.00 55.73 55.75 2qja s ARG 96 Cb 0.07 -3.29 0.05 0.00 0.52 0.00 0.00 34.95 32.30 2qja s ARG 96 CO 0.15 0.52 0.59 -0.98 0.02 0.00 0.00 175.30 175.60 2qja s ARG 97 N -0.52 1.35 -0.04 3.54 1.70 -1.26 -2.64 118.95 121.07 2qja s ARG 97 Ca 0.24 -0.62 -0.08 0.00 -0.47 0.00 0.00 55.73 54.80 2qja s ARG 97 Cb -0.16 0.57 0.01 0.00 -0.57 0.00 0.00 34.95 34.80 2qja s ARG 97 CO 0.12 -0.59 0.19 0.45 -1.08 0.00 0.00 175.30 174.39 2qja s SER 98 N -2.79 -0.12 -0.02 -2.89 0.15 -1.03 -4.68 113.70 102.31 2qja s SER 98 Ca 0.04 0.14 0.04 0.00 0.70 0.00 0.00 55.95 56.86 2qja s SER 98 Cb -0.01 0.33 -0.00 0.00 -1.71 0.00 0.00 66.02 64.62 2qja s SER 98 CO -0.09 -0.22 -0.13 -0.51 1.20 0.00 0.00 173.24 173.49 2qja s ILE 99 N -0.60 1.05 -0.01 6.45 2.07 -1.26 -1.86 121.20 127.04 2qja s ILE 99 Ca -0.07 -0.53 0.04 0.00 -1.41 0.00 0.00 60.65 58.68 2qja s ILE 99 Cb -0.04 -0.90 -0.01 0.00 0.13 0.00 0.00 42.46 41.64 2qja s ILE 99 CO 0.01 0.31 -0.14 -1.61 -1.91 0.00 0.00 174.94 171.60 2qja s GLU 100 N -0.04 1.10 0.49 3.50 2.02 -0.85 -4.86 118.70 120.06 2qja s GLU 100 Ca 0.00 -0.50 0.05 0.00 0.02 0.00 0.00 54.97 54.54 2qja s GLU 100 Cb -0.08 -1.06 -0.01 0.00 0.10 0.00 0.00 34.13 33.08 2qja s GLU 100 CO 0.00 0.29 0.22 0.00 0.02 0.00 0.00 175.26 175.79 2qja n ARG 103 N -0.70 0.64 -3.76 0.00 1.74 -1.26 -2.29 116.66 111.03 2qja n ARG 103 Ca -0.03 -3.15 -0.11 0.00 -0.77 0.00 0.00 57.85 53.79 2qja n ARG 103 Cb 0.61 -1.28 -0.07 0.00 -1.02 0.00 0.00 32.46 30.70 2qja n ARG 103 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2qja s THR 104 N -0.93 0.09 0.29 0.55 2.01 -1.26 -5.06 115.64 111.34 2qja s THR 104 Ca 0.35 -0.74 -0.29 0.00 0.31 0.00 0.00 61.69 61.31 2qja s THR 104 Cb 0.15 -1.01 -0.11 0.00 0.01 0.00 0.00 72.50 71.55 2qja s THR 104 CO -0.13 -0.41 1.48 0.20 -0.69 0.00 0.00 174.62 175.08 2qja s ASN 105 N -2.23 6.52 0.00 3.53 0.01 -1.26 -1.62 114.94 119.89 2qja s ASN 105 Ca -0.03 2.83 0.00 0.00 -0.71 0.00 0.00 52.86 54.95 2qja s ASN 105 Cb 0.00 -2.64 0.00 0.00 0.41 0.00 0.00 41.25 39.02 2qja s ASN 105 CO -0.05 -0.78 0.00 0.18 -1.51 0.00 0.00 177.10 174.94 2qja n LEU 106 N 1.78 0.00 -0.43 0.60 4.32 -0.37 -4.79 117.00 118.11 2qja n LEU 106 Ca 0.05 0.16 0.39 0.00 -0.02 0.00 0.00 56.01 56.59 2qja n LEU 106 Cb 0.39 -0.44 0.74 0.00 -1.62 0.00 0.00 43.42 42.49 2qja n LEU 106 CO 0.62 0.00 1.35 0.00 -1.22 0.00 0.00 177.39 178.14 2qja n ASN 108 N -4.20 0.61 0.19 0.00 2.85 -1.26 -4.06 115.26 109.39 2qja n ASN 108 Ca 0.31 0.58 0.13 0.00 -0.11 0.00 0.00 54.58 55.49 2qja n ASN 108 Cb 1.42 -0.73 0.36 0.00 1.24 0.00 0.00 39.78 42.07 2qja n ASN 108 CO 0.00 0.00 0.00 -0.61 -2.11 0.00 0.00 177.26 174.54 2qja h GLN 109 N 0.00 0.00 -1.80 1.20 4.15 -1.55 -3.25 115.11 113.86 2qja h GLN 109 Ca 0.00 0.00 -0.53 0.00 0.77 0.00 0.00 58.65 58.89 2qja h GLN 109 Cb 0.60 0.00 -0.41 0.00 0.21 0.00 0.00 27.48 27.87 2qja h GLN 109 CO 0.00 0.00 -0.86 0.66 -1.93 0.00 0.00 178.83 176.70 2qja n TYR 110 N -2.76 2.65 -3.80 3.99 4.01 -1.26 -5.04 117.16 114.96 2qja n TYR 110 Ca 0.04 -3.52 -0.36 0.00 -0.16 0.00 0.00 57.90 53.90 2qja n TYR 110 Cb 0.43 -0.34 -0.13 0.00 -0.31 0.00 0.00 39.34 38.99 2qja n TYR 110 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 2qja s LEU 111 N -3.23 3.29 -0.72 7.72 1.43 -1.23 -5.06 118.68 120.88 2qja s LEU 111 Ca 0.43 -0.26 -0.03 0.00 -1.03 0.00 0.00 54.13 53.25 2qja s LEU 111 Cb 0.36 -1.87 0.18 0.00 0.03 0.00 0.00 46.19 44.89 2qja s LEU 111 CO -0.11 -0.03 0.56 -1.10 0.23 0.00 0.00 176.35 175.90 2qja s GLN 112 N 1.58 2.84 0.55 1.70 -1.52 -1.26 -4.91 119.66 118.63 2qja s GLN 112 Ca 0.06 -2.79 -0.18 0.00 -1.95 0.00 0.00 55.36 50.50 2qja s GLN 112 Cb -0.15 -3.83 -0.06 0.00 -0.22 0.00 0.00 33.01 28.76 2qja s GLN 112 CO 0.02 -1.21 1.07 -2.14 -0.25 0.00 0.00 175.29 172.78 2qja s PRO 113 N -0.50 3.46 -0.03 2.91 0.02 -1.26 -5.03 135.00 134.57 2qja s PRO 113 Ca 0.20 1.39 0.07 0.00 0.02 0.00 0.00 61.00 62.68 2qja s PRO 113 Cb -0.15 -2.04 -0.01 0.00 0.02 0.00 0.00 34.50 32.31 2qja s PRO 113 CO -0.07 -0.72 -0.24 0.95 -0.33 0.00 0.00 177.00 176.60 2qja s THR 114 N -2.08 1.91 0.35 0.99 -4.23 -1.26 -4.86 115.64 106.45 2qja s THR 114 Ca 0.68 -1.01 -0.28 0.00 -1.18 0.00 0.00 61.69 59.89 2qja s THR 114 Cb -0.19 -1.59 -0.12 0.00 1.34 0.00 0.00 72.50 71.94 2qja s THR 114 CO 0.28 0.54 1.44 0.18 -0.54 0.00 0.00 174.62 176.52 2qja n LEU 115 N 2.68 4.24 0.00 4.79 4.77 -1.26 -4.78 117.00 127.44 2qja n LEU 115 Ca -0.16 1.20 0.00 0.00 -0.03 0.00 0.00 56.01 57.02 2qja n LEU 115 Cb 0.52 -1.56 0.00 0.00 -2.33 0.00 0.00 43.42 40.05 2qja n LEU 115 CO 0.24 -0.08 0.14 -0.81 -1.33 0.00 0.00 177.39 175.55