#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aj0 s LYS 2 N 0.00 0.94 0.08 2.12 1.02 -1.26 0.17 119.74 122.81 1aj0 s LYS 2 Ca 0.00 -1.21 0.04 0.00 0.02 0.00 0.00 55.97 54.82 1aj0 s LYS 2 Cb 0.00 -0.70 -0.04 0.00 -0.52 0.00 0.00 37.83 36.57 1aj0 s LYS 2 CO 0.00 0.12 0.01 -0.51 -0.92 0.00 0.00 175.35 174.05 1aj0 s LEU 3 N -2.49 3.53 -0.09 3.17 1.43 -0.17 -4.95 118.68 119.11 1aj0 s LEU 3 Ca 0.08 -0.13 0.01 0.00 -1.03 0.00 0.00 54.13 53.05 1aj0 s LEU 3 Cb -0.03 -2.23 0.02 0.00 0.03 0.00 0.00 46.19 43.97 1aj0 s LEU 3 CO 0.01 0.18 -0.08 -0.36 0.23 0.00 0.00 176.35 176.33 1aj0 s PHE 4 N -1.31 1.36 -0.26 0.29 0.08 -1.26 -1.11 117.98 115.76 1aj0 s PHE 4 Ca 0.26 -0.59 -0.23 0.00 0.12 0.00 0.00 56.93 56.49 1aj0 s PHE 4 Cb -0.12 -1.10 0.07 0.00 -0.57 0.00 0.00 43.02 41.30 1aj0 s PHE 4 CO 0.18 -0.40 0.69 0.00 -0.10 0.00 0.00 175.22 175.60 1aj0 s ALA 5 N 1.32 -1.74 -1.56 5.36 0.00 -0.36 -4.73 121.76 120.05 1aj0 s ALA 5 Ca -0.03 2.02 -0.13 0.00 0.00 0.00 0.00 51.96 53.83 1aj0 s ALA 5 Cb -0.14 -1.18 0.09 0.00 0.00 0.00 0.00 23.12 21.90 1aj0 s ALA 5 CO -0.04 -0.34 0.83 1.04 0.00 0.00 0.00 175.76 177.26 1aj0 n GLN 6 N 2.92 -4.44 -1.21 0.00 1.13 -1.26 -1.42 117.38 113.10 1aj0 n GLN 6 Ca -0.15 0.50 -0.07 0.00 -1.94 0.00 0.00 57.00 55.34 1aj0 n GLN 6 Cb 0.56 -5.22 -0.03 0.00 0.11 0.00 0.00 30.24 25.65 1aj0 n GLN 6 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1aj0 n GLY 7 N -1.62 0.95 3.22 1.08 0.00 -1.26 -5.01 105.19 102.54 1aj0 n GLY 7 Ca -0.01 -0.68 -0.12 0.00 0.00 0.00 0.00 46.02 45.20 1aj0 n GLY 7 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1aj0 s THR 8 N -2.26 0.00 0.12 2.61 -4.23 -0.51 -5.18 115.64 106.20 1aj0 s THR 8 Ca 0.00 -1.98 0.04 0.00 -1.18 0.00 0.00 61.69 58.57 1aj0 s THR 8 Cb 0.00 -2.49 -0.04 0.00 1.34 0.00 0.00 72.50 71.31 1aj0 s THR 8 CO 0.00 0.00 -0.11 -0.94 -0.54 0.00 0.00 174.62 173.03 1aj0 s SER 9 N -3.17 1.69 -0.13 3.99 1.04 -1.26 -1.22 113.70 114.64 1aj0 s SER 9 Ca 0.39 -0.90 -0.00 0.00 0.48 0.00 0.00 55.95 55.92 1aj0 s SER 9 Cb 0.06 -0.01 0.02 0.00 0.10 0.00 0.00 66.02 66.20 1aj0 s SER 9 CO 0.13 -0.27 -0.11 -0.22 0.98 0.00 0.00 173.24 173.75 1aj0 s LEU 10 N -2.76 1.43 -0.23 2.42 0.20 -0.27 -4.97 118.68 114.50 1aj0 s LEU 10 Ca 0.11 -0.39 -0.18 0.00 0.69 0.00 0.00 54.13 54.36 1aj0 s LEU 10 Cb -0.01 -1.00 -0.03 0.00 -0.43 0.00 0.00 46.19 44.72 1aj0 s LEU 10 CO 0.01 -0.09 0.51 -0.62 -0.29 0.00 0.00 176.35 175.87 1aj0 s ASP 11 N 1.58 6.49 -0.33 3.68 2.15 -1.26 -1.00 116.67 127.98 1aj0 s ASP 11 Ca 0.05 0.58 0.03 0.00 0.43 0.00 0.00 52.55 53.64 1aj0 s ASP 11 Cb -0.13 -2.28 0.50 0.00 -0.30 0.00 0.00 42.92 40.71 1aj0 s ASP 11 CO -0.09 -0.24 1.68 0.18 -0.17 0.00 0.00 175.17 176.53 1aj0 n LEU 12 N 5.20 5.75 0.19 -1.34 4.77 0.13 -4.31 117.00 127.38 1aj0 n LEU 12 Ca -0.04 -3.05 0.06 0.00 -0.03 0.00 0.00 56.01 52.95 1aj0 n LEU 12 Cb 0.50 -0.75 0.27 0.00 -2.33 0.00 0.00 43.42 41.11 1aj0 n LEU 12 CO 0.41 0.90 0.66 0.28 -1.33 0.00 0.00 177.39 178.31 1aj0 h SER 13 N 0.79 0.00 -4.17 -1.43 0.02 -1.94 -3.44 113.55 103.38 1aj0 h SER 13 Ca 0.46 0.00 -0.30 0.00 -0.84 0.00 0.00 61.79 61.12 1aj0 h SER 13 Cb 2.37 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 64.77 1aj0 h SER 13 CO 0.81 0.35 -0.71 -1.38 -1.14 0.00 0.00 176.83 174.76 1aj0 s HIS 14 N -3.39 1.15 0.36 3.45 0.00 -1.26 -5.11 115.29 110.48 1aj0 s HIS 14 Ca 0.02 -0.79 -0.28 0.00 -3.00 0.00 0.00 55.06 51.00 1aj0 s HIS 14 Cb 0.09 -0.60 -0.11 0.00 -4.00 0.00 0.00 32.58 27.96 1aj0 s HIS 14 CO 0.69 0.01 1.39 -2.14 -1.00 0.00 0.00 174.74 173.69 1aj0 s PRO 15 N -3.70 4.22 0.04 -0.38 0.02 -1.26 -4.93 135.00 129.01 1aj0 s PRO 15 Ca 0.14 2.38 0.06 0.00 0.02 0.00 0.00 61.00 63.61 1aj0 s PRO 15 Cb 0.03 -3.01 -0.03 0.00 0.02 0.00 0.00 34.50 31.51 1aj0 s PRO 15 CO -0.01 -0.37 -0.15 -1.01 -0.33 0.00 0.00 177.00 175.13 1aj0 s HIS 16 N -1.14 2.64 -0.27 6.54 3.76 -0.10 -5.01 115.29 121.70 1aj0 s HIS 16 Ca 0.51 -0.21 -0.10 0.00 -0.15 0.00 0.00 55.06 55.12 1aj0 s HIS 16 Cb -0.43 -1.49 -0.04 0.00 1.11 0.00 0.00 32.58 31.73 1aj0 s HIS 16 CO 0.58 0.29 0.15 0.08 -0.85 0.00 0.00 174.74 174.99 1aj0 s VAL 17 N -0.96 5.01 -0.33 -0.90 1.01 -1.26 -1.65 120.40 121.32 1aj0 s VAL 17 Ca 0.15 0.07 -0.12 0.00 0.00 0.00 0.00 61.98 62.08 1aj0 s VAL 17 Cb -0.11 -3.38 -0.02 0.00 0.00 0.00 0.00 36.38 32.88 1aj0 s VAL 17 CO 0.06 0.28 0.22 -0.32 0.00 0.00 0.00 175.10 175.34 1aj0 s MET 18 N 1.71 3.55 0.39 2.72 0.00 0.48 -2.10 119.30 126.05 1aj0 s MET 18 Ca 0.07 -0.60 -0.11 0.00 0.00 0.00 0.00 55.69 55.04 1aj0 s MET 18 Cb -0.16 -3.75 -0.07 0.00 0.00 0.00 0.00 34.83 30.86 1aj0 s MET 18 CO 0.09 -0.40 0.76 0.20 0.00 0.00 0.00 175.02 175.67 1aj0 s GLY 19 N 1.71 2.02 -0.19 2.11 0.00 0.36 -0.78 107.32 112.55 1aj0 s GLY 19 Ca 0.06 -0.16 -0.12 0.00 0.00 0.00 0.00 44.72 44.51 1aj0 s GLY 19 CO 0.10 0.03 0.20 -0.42 0.00 0.00 0.00 173.10 173.01 1aj0 s ILE 20 N -2.30 5.36 -0.36 0.90 1.01 -1.06 0.95 121.20 125.71 1aj0 s ILE 20 Ca 0.52 0.33 0.01 0.00 0.00 0.00 0.00 60.65 61.50 1aj0 s ILE 20 Cb -0.10 -3.54 0.11 0.00 0.01 0.00 0.00 42.46 38.94 1aj0 s ILE 20 CO 0.29 0.40 0.15 -0.22 0.00 0.00 0.00 174.94 175.56 1aj0 s LEU 21 N 0.51 2.50 -0.23 2.97 0.20 0.45 -4.90 118.68 120.18 1aj0 s LEU 21 Ca 0.11 -2.04 -0.18 0.00 0.69 0.00 0.00 54.13 52.70 1aj0 s LEU 21 Cb -0.12 -0.95 -0.03 0.00 -0.43 0.00 0.00 46.19 44.66 1aj0 s LEU 21 CO 0.01 -0.36 0.53 0.20 -0.29 0.00 0.00 176.35 176.44 1aj0 s ASN 22 N 1.10 6.51 -0.51 3.68 0.01 -1.26 -2.08 114.94 122.39 1aj0 s ASN 22 Ca 0.13 0.61 0.06 0.00 -0.71 0.00 0.00 52.86 52.95 1aj0 s ASN 22 Cb -0.20 -2.29 0.37 0.00 0.41 0.00 0.00 41.25 39.53 1aj0 s ASN 22 CO -0.14 -0.25 0.96 1.33 -1.51 0.00 0.00 177.10 177.50 1aj0 n VAL 23 N 4.88 2.42 -1.75 1.60 0.24 0.26 -4.84 118.33 121.14 1aj0 n VAL 23 Ca -0.04 -5.19 -0.30 0.00 -2.04 0.00 0.00 64.34 56.77 1aj0 n VAL 23 Cb 0.50 -1.13 0.05 0.00 -1.47 0.00 0.00 33.84 31.78 1aj0 n VAL 23 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1aj0 s THR 24 N -4.43 3.82 0.44 3.34 -4.23 -1.26 -4.61 115.64 108.72 1aj0 s THR 24 Ca 0.47 0.59 0.20 0.00 -1.18 0.00 0.00 61.69 61.77 1aj0 s THR 24 Cb 0.33 -3.48 0.40 0.00 1.34 0.00 0.00 72.50 71.08 1aj0 s THR 24 CO -0.14 -0.77 1.87 -0.65 -0.54 0.00 0.00 174.62 174.39 1aj0 h PRO 25 N -0.67 0.31 0.00 3.99 0.11 -1.85 1.07 132.00 134.95 1aj0 h PRO 25 Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1aj0 h PRO 25 Cb 1.23 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1aj0 h PRO 25 CO 0.61 0.20 0.00 -0.25 -0.21 0.00 0.00 178.00 178.35 1aj0 n ASP 26 N -4.46 0.59 -0.02 -2.05 8.00 -1.26 -3.50 116.55 113.85 1aj0 n ASP 26 Ca 0.18 0.56 -0.02 0.00 0.71 0.00 0.00 54.79 56.22 1aj0 n ASP 26 Cb 0.73 -0.72 -0.02 0.00 -0.02 0.00 0.00 41.12 41.09 1aj0 n ASP 26 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1aj0 n SER 27 N -2.06 3.78 -2.49 -2.24 3.41 -0.35 -4.65 113.62 109.03 1aj0 n SER 27 Ca 0.06 -0.02 -0.28 0.00 -0.26 0.00 0.00 58.87 58.37 1aj0 n SER 27 Cb 0.39 0.02 -0.02 0.00 -0.26 0.00 0.00 64.21 64.33 1aj0 n SER 27 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 1aj0 n PHE 28 N -2.55 1.89 0.00 7.33 7.35 0.36 -4.91 117.46 126.93 1aj0 n PHE 28 Ca -0.06 -2.05 0.00 0.00 -0.76 0.00 0.00 57.45 54.57 1aj0 n PHE 28 Cb 0.57 -1.31 0.00 0.00 0.35 0.00 0.00 39.48 39.10 1aj0 n PHE 28 CO 0.00 0.00 0.00 0.43 -0.76 0.00 0.00 176.76 176.43 1aj0 n SER 29 N 0.50 -0.67 -0.11 -2.13 7.64 -1.23 -4.29 113.62 113.33 1aj0 n SER 29 Ca 0.48 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 60.35 1aj0 n SER 29 Cb 0.51 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.70 1aj0 n SER 29 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1aj0 n ASP 30 N -1.01 -5.91 0.00 6.43 8.00 -1.26 -3.69 116.55 119.11 1aj0 n ASP 30 Ca 0.00 0.04 0.00 0.00 0.71 0.00 0.00 54.79 55.54 1aj0 n ASP 30 Cb 0.00 -3.56 0.00 0.00 -0.02 0.00 0.00 41.12 37.54 1aj0 n ASP 30 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1aj0 n GLY 31 N 0.89 -3.54 2.24 0.44 0.00 -1.26 -4.85 105.19 99.11 1aj0 n GLY 31 Ca -0.01 -2.07 -0.08 0.00 0.00 0.00 0.00 46.02 43.85 1aj0 n GLY 31 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1aj0 n GLY 32 N -0.03 -0.18 2.80 -0.02 0.00 -1.26 -3.36 105.19 103.14 1aj0 n GLY 32 Ca 0.00 -0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.98 1aj0 n GLY 32 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1aj0 n THR 33 N 3.44 -8.48 -0.46 2.61 -1.04 -1.26 -5.05 114.28 104.05 1aj0 n THR 33 Ca 0.24 1.71 0.00 0.00 -2.04 0.00 0.00 64.05 63.96 1aj0 n THR 33 Cb 0.22 -5.10 0.00 0.00 -1.82 0.00 0.00 70.33 63.63 1aj0 n THR 33 CO 0.00 0.00 0.00 1.57 -0.64 0.00 0.00 175.07 176.00 1aj0 n HIS 34 N 1.89 0.00 -0.12 -1.42 -0.00 -1.21 -4.87 115.22 109.49 1aj0 n HIS 34 Ca -0.24 0.00 -0.05 0.00 -0.00 0.00 0.00 57.72 57.43 1aj0 n HIS 34 Cb 0.39 0.00 0.16 0.00 -0.00 0.00 0.00 29.99 30.54 1aj0 n HIS 34 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.34 174.63 1aj0 n ASN 35 N 0.00 3.49 0.00 0.26 2.85 -1.26 -3.53 115.26 117.07 1aj0 n ASN 35 Ca 0.00 -2.69 0.11 0.00 -0.11 0.00 0.00 54.58 51.88 1aj0 n ASN 35 Cb 0.00 -0.64 0.49 0.00 1.24 0.00 0.00 39.78 40.87 1aj0 n ASN 35 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 1aj0 n SER 36 N -0.04 0.00 -0.10 1.20 7.64 -1.26 -2.82 113.62 118.24 1aj0 n SER 36 Ca 0.24 0.39 -0.14 0.00 1.01 0.00 0.00 58.87 60.37 1aj0 n SER 36 Cb 0.96 -0.45 -0.03 0.00 -1.01 0.00 0.00 64.21 63.67 1aj0 n SER 36 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1aj0 h LEU 37 N 0.00 0.90 -0.76 -3.43 5.85 -1.94 -0.86 115.31 115.08 1aj0 h LEU 37 Ca 0.00 -0.48 -0.00 0.00 0.84 0.00 0.00 57.88 58.23 1aj0 h LEU 37 Cb 0.34 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.08 1aj0 h LEU 37 CO 0.00 1.20 0.46 -0.29 -0.34 0.00 0.00 178.44 179.47 1aj0 h ILE 38 N 0.62 1.21 -0.05 4.05 6.09 -1.85 -1.01 117.51 126.57 1aj0 h ILE 38 Ca 0.04 -0.47 0.02 0.00 -1.37 0.00 0.00 64.86 63.08 1aj0 h ILE 38 Cb 0.97 0.16 -0.03 0.00 0.47 0.00 0.00 36.82 38.40 1aj0 h ILE 38 CO 0.09 0.22 -0.09 0.44 -3.07 0.00 0.00 178.15 175.75 1aj0 h ASP 39 N 1.03 -0.27 -0.25 2.19 3.32 -1.61 0.21 116.42 121.03 1aj0 h ASP 39 Ca 0.27 0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.37 1aj0 h ASP 39 Cb -0.03 0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 1aj0 h ASP 39 CO -0.05 -0.13 0.17 0.00 -1.72 0.00 0.00 179.24 177.51 1aj0 h ALA 40 N 0.89 0.32 -0.43 3.45 0.00 -0.77 0.13 119.26 122.86 1aj0 h ALA 40 Ca 0.05 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 1aj0 h ALA 40 Cb 0.21 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1aj0 h ALA 40 CO -0.13 -0.21 -0.00 0.28 0.00 0.00 0.00 179.25 179.19 1aj0 h VAL 41 N 0.34 1.23 -0.08 0.00 2.07 -0.91 0.01 116.25 118.91 1aj0 h VAL 41 Ca 0.09 -0.94 -0.01 0.00 0.82 0.00 0.00 66.70 66.67 1aj0 h VAL 41 Cb -0.04 0.90 -0.00 0.00 -1.52 0.00 0.00 31.29 30.63 1aj0 h VAL 41 CO -0.02 0.33 0.02 0.50 0.02 0.00 0.00 177.57 178.42 1aj0 h LYS 42 N 0.66 0.13 -0.60 1.57 3.64 -0.21 -1.76 116.57 120.00 1aj0 h LYS 42 Ca 0.13 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 1aj0 h LYS 42 Cb 0.41 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.18 1aj0 h LYS 42 CO 0.02 0.31 0.38 1.25 -2.27 0.00 0.00 179.45 179.13 1aj0 h HIS 43 N -0.07 0.77 -0.80 1.91 2.76 -0.41 -2.21 115.15 117.10 1aj0 h HIS 43 Ca 0.03 0.01 0.01 0.00 -2.20 0.00 0.00 60.37 58.22 1aj0 h HIS 43 Cb 0.23 -0.26 -0.04 0.00 1.55 0.00 0.00 27.41 28.89 1aj0 h HIS 43 CO 0.00 0.51 0.53 0.00 -1.30 0.00 0.00 177.93 177.67 1aj0 h ALA 44 N 1.20 1.02 -0.23 5.26 0.00 -0.92 -2.51 119.26 123.09 1aj0 h ALA 44 Ca 0.22 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.10 1aj0 h ALA 44 Cb -0.06 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.39 1aj0 h ALA 44 CO -0.04 0.42 0.09 -0.97 0.00 0.00 0.00 179.25 178.74 1aj0 h ASN 45 N 1.08 0.11 -0.36 0.00 -1.24 -0.91 -0.84 115.58 113.43 1aj0 h ASN 45 Ca 0.30 0.02 0.02 0.00 0.71 0.00 0.00 56.30 57.35 1aj0 h ASN 45 Cb -0.11 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 38.91 1aj0 h ASN 45 CO -0.07 0.10 0.19 -0.07 -1.29 0.00 0.00 177.43 176.29 1aj0 h LEU 46 N 0.20 0.29 -0.86 0.34 3.38 -1.10 -1.56 115.31 116.00 1aj0 h LEU 46 Ca 0.10 0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.09 1aj0 h LEU 46 Cb 0.05 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 1aj0 h LEU 46 CO -0.09 0.21 0.57 0.24 0.09 0.00 0.00 178.44 179.46 1aj0 h MET 47 N 0.39 1.12 -0.42 1.13 2.86 -1.07 0.37 114.93 119.31 1aj0 h MET 47 Ca 0.15 -0.07 -0.05 0.00 -2.06 0.00 0.00 59.70 57.67 1aj0 h MET 47 Cb 0.04 -0.25 -0.02 0.00 0.06 0.00 0.00 31.60 31.44 1aj0 h MET 47 CO -0.09 0.74 0.05 0.82 1.06 0.00 0.00 176.91 179.49 1aj0 h ILE 48 N 1.15 1.25 -0.23 -1.22 2.04 -0.85 -0.37 117.51 119.28 1aj0 h ILE 48 Ca 0.32 -0.91 -0.08 0.00 1.00 0.00 0.00 64.86 65.18 1aj0 h ILE 48 Cb -0.11 1.03 -0.01 0.00 -0.74 0.00 0.00 36.82 36.99 1aj0 h ILE 48 CO -0.08 0.31 -0.22 0.78 0.00 0.00 0.00 178.15 178.95 1aj0 h ASN 49 N 0.55 0.42 1.10 1.72 4.21 -0.88 -2.49 115.58 120.21 1aj0 h ASN 49 Ca 0.12 -0.13 0.00 0.00 1.21 0.00 0.00 56.30 57.51 1aj0 h ASN 49 Cb 0.40 -0.11 0.00 0.00 -1.12 0.00 0.00 38.32 37.49 1aj0 h ASN 49 CO 0.01 0.64 0.00 0.00 -1.29 0.00 0.00 177.43 176.79 1aj0 h ALA 50 N 1.40 1.00 0.00 -0.83 0.00 -0.72 -3.47 119.26 116.64 1aj0 h ALA 50 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1aj0 h ALA 50 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1aj0 h ALA 50 CO 0.04 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.70 1aj0 n GLY 51 N 0.51 1.30 3.77 0.00 0.00 -0.94 -4.48 105.19 105.35 1aj0 n GLY 51 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 1aj0 n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aj0 s ALA 52 N -2.00 3.52 -0.53 4.61 0.00 -0.18 -4.74 121.76 122.45 1aj0 s ALA 52 Ca 0.00 1.34 0.13 0.00 0.00 0.00 0.00 51.96 53.43 1aj0 s ALA 52 Cb 0.00 -3.51 -0.14 0.00 0.00 0.00 0.00 23.12 19.46 1aj0 s ALA 52 CO 0.00 -0.75 0.51 0.25 0.00 0.00 0.00 175.76 175.77 1aj0 n THR 53 N 0.72 0.00 -3.91 0.00 -2.24 -0.89 -4.52 114.28 103.43 1aj0 n THR 53 Ca 0.00 -0.21 -0.11 0.00 -2.27 0.00 0.00 64.05 61.46 1aj0 n THR 53 Cb 0.41 0.91 -0.13 0.00 -2.10 0.00 0.00 70.33 69.42 1aj0 n THR 53 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1aj0 s ILE 54 N -2.27 0.05 -0.11 2.28 1.01 -1.20 -2.12 121.20 118.84 1aj0 s ILE 54 Ca 0.04 -0.27 0.03 0.00 0.00 0.00 0.00 60.65 60.45 1aj0 s ILE 54 Cb 0.09 -0.10 0.01 0.00 0.01 0.00 0.00 42.46 42.48 1aj0 s ILE 54 CO 0.52 -0.14 -0.21 -0.63 0.00 0.00 0.00 174.94 174.48 1aj0 s ILE 55 N -0.42 1.86 -0.41 2.92 1.01 -0.55 -0.49 121.20 125.13 1aj0 s ILE 55 Ca -0.04 -0.88 -0.15 0.00 0.00 0.00 0.00 60.65 59.57 1aj0 s ILE 55 Cb -0.03 -1.64 0.02 0.00 0.01 0.00 0.00 42.46 40.82 1aj0 s ILE 55 CO -0.00 0.51 0.30 -0.62 0.00 0.00 0.00 174.94 175.13 1aj0 s ASP 56 N 0.63 6.10 -0.27 3.58 2.15 0.27 -0.62 116.67 128.50 1aj0 s ASP 56 Ca -0.13 -0.90 -0.14 0.00 0.43 0.00 0.00 52.55 51.81 1aj0 s ASP 56 Cb -0.16 -2.16 -0.04 0.00 -0.30 0.00 0.00 42.92 40.26 1aj0 s ASP 56 CO 0.03 -0.45 0.31 -0.69 -0.17 0.00 0.00 175.17 174.21 1aj0 s VAL 57 N 1.68 5.22 -0.03 1.11 1.01 -0.44 -0.41 120.40 128.54 1aj0 s VAL 57 Ca 0.05 0.44 0.02 0.00 0.00 0.00 0.00 61.98 62.49 1aj0 s VAL 57 Cb -0.19 -3.64 0.00 0.00 0.00 0.00 0.00 36.38 32.55 1aj0 s VAL 57 CO 0.10 0.19 -0.09 -0.83 0.00 0.00 0.00 175.10 174.47 1aj0 s GLY 58 N 1.66 0.55 0.00 4.51 0.00 -0.88 -0.32 107.32 112.84 1aj0 s GLY 58 Ca 0.12 -0.34 0.16 0.00 0.00 0.00 0.00 44.72 44.67 1aj0 s GLY 58 CO 0.10 -0.06 1.10 0.61 0.00 0.00 0.00 173.10 174.85 1aj0 n GLY 59 N 3.34 0.80 3.05 0.20 0.00 -1.25 -0.58 105.19 110.76 1aj0 n GLY 59 Ca -0.19 -0.49 -0.21 0.00 0.00 0.00 0.00 46.02 45.13 1aj0 n GLY 59 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1aj0 s GLU 60 N -1.27 1.08 0.19 1.61 2.12 -1.26 -4.35 118.70 116.82 1aj0 s GLU 60 Ca 0.23 -0.41 -0.30 0.00 0.36 0.00 0.00 54.97 54.86 1aj0 s GLU 60 Cb 0.15 -1.01 -0.08 0.00 0.26 0.00 0.00 34.13 33.44 1aj0 s GLU 60 CO 0.21 0.20 0.93 0.45 -0.54 0.00 0.00 175.26 176.51 1aj0 s SER 61 N -0.05 7.57 -0.26 -1.70 0.15 -1.26 -4.96 113.70 113.19 1aj0 s SER 61 Ca 0.00 1.87 0.09 0.00 0.70 0.00 0.00 55.95 58.62 1aj0 s SER 61 Cb -0.07 -2.59 0.48 0.00 -1.71 0.00 0.00 66.02 62.12 1aj0 s SER 61 CO 0.00 0.09 1.38 0.35 1.20 0.00 0.00 173.24 176.27 1aj0 n THR 62 N 1.91 2.43 -3.04 6.45 -2.24 -1.26 -4.79 114.28 113.75 1aj0 n THR 62 Ca -0.01 -2.94 -0.28 0.00 -2.27 0.00 0.00 64.05 58.55 1aj0 n THR 62 Cb 0.48 -0.29 -0.02 0.00 -2.10 0.00 0.00 70.33 68.40 1aj0 n THR 62 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1aj0 s ARG 63 N -3.25 3.62 0.15 -0.78 0.52 -1.26 -4.49 118.95 113.46 1aj0 s ARG 63 Ca 0.42 0.11 -0.34 0.00 -0.52 0.00 0.00 55.73 55.40 1aj0 s ARG 63 Cb 0.39 -2.51 -0.15 0.00 0.52 0.00 0.00 34.95 33.20 1aj0 s ARG 63 CO -0.03 0.03 1.48 -2.30 0.02 0.00 0.00 175.30 174.50 1aj0 n PRO 64 N -1.52 1.83 -0.93 3.54 -0.02 -1.26 -1.33 135.00 135.32 1aj0 n PRO 64 Ca -0.01 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 1aj0 n PRO 64 Cb 0.55 -2.37 0.00 0.00 -0.02 0.00 0.00 33.50 31.65 1aj0 n PRO 64 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1aj0 n GLY 65 N 2.99 0.93 3.75 -1.23 0.00 -0.84 -4.94 105.19 105.87 1aj0 n GLY 65 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 1aj0 n GLY 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aj0 s ALA 66 N -3.71 2.76 0.70 4.61 0.00 -0.44 -5.00 121.76 120.68 1aj0 s ALA 66 Ca 0.00 1.19 -0.11 0.00 0.00 0.00 0.00 51.96 53.04 1aj0 s ALA 66 Cb 0.00 -3.51 0.01 0.00 0.00 0.00 0.00 23.12 19.62 1aj0 s ALA 66 CO 0.00 -1.22 1.07 0.00 0.00 0.00 0.00 175.76 175.61 1aj0 s ALA 67 N -1.40 2.69 0.28 0.00 0.00 -1.26 -4.95 121.76 117.11 1aj0 s ALA 67 Ca 0.72 -0.06 -0.17 0.00 0.00 0.00 0.00 51.96 52.45 1aj0 s ALA 67 Cb -0.36 -3.13 -0.09 0.00 0.00 0.00 0.00 23.12 19.55 1aj0 s ALA 67 CO 0.42 -1.22 0.74 -1.21 0.00 0.00 0.00 175.76 174.49 1aj0 s GLU 68 N -5.13 4.13 -0.01 0.00 0.41 -1.26 -4.70 118.70 112.14 1aj0 s GLU 68 Ca 0.58 0.78 0.05 0.00 -0.41 0.00 0.00 54.97 55.97 1aj0 s GLU 68 Cb -0.13 -2.63 -0.03 0.00 -1.78 0.00 0.00 34.13 29.56 1aj0 s GLU 68 CO 0.54 0.26 -0.15 0.14 -0.49 0.00 0.00 175.26 175.56 1aj0 s VAL 69 N -1.77 2.97 0.61 2.63 -7.23 -1.26 -5.12 120.40 111.23 1aj0 s VAL 69 Ca 0.49 -0.92 -0.12 0.00 -1.81 0.00 0.00 61.98 59.62 1aj0 s VAL 69 Cb -0.13 -2.21 -0.04 0.00 0.56 0.00 0.00 36.38 34.56 1aj0 s VAL 69 CO 0.19 0.47 1.03 -0.94 -0.31 0.00 0.00 175.10 175.54 1aj0 s SER 70 N -1.07 6.21 0.32 4.85 1.04 -1.26 -4.87 113.70 118.92 1aj0 s SER 70 Ca 0.13 1.47 0.02 0.00 0.48 0.00 0.00 55.95 58.05 1aj0 s SER 70 Cb -0.11 -2.48 0.60 0.00 0.10 0.00 0.00 66.02 64.13 1aj0 s SER 70 CO 0.03 -0.88 1.93 0.58 0.98 0.00 0.00 173.24 175.88 1aj0 h VAL 71 N -0.15 1.06 -0.23 5.02 2.07 -2.00 0.21 116.25 122.24 1aj0 h VAL 71 Ca -0.44 -0.32 -0.02 0.00 0.82 0.00 0.00 66.70 66.73 1aj0 h VAL 71 Cb 1.19 0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 1aj0 h VAL 71 CO 0.61 0.17 0.05 -0.33 0.02 0.00 0.00 177.57 178.10 1aj0 h GLU 72 N 0.94 0.36 -0.56 1.57 4.39 -1.98 0.17 114.58 119.46 1aj0 h GLU 72 Ca 0.36 -0.09 -0.03 0.00 0.34 0.00 0.00 59.36 59.94 1aj0 h GLU 72 Cb 0.20 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.78 1aj0 h GLU 72 CO -0.13 0.48 0.22 0.93 -1.16 0.00 0.00 179.01 179.35 1aj0 h GLU 73 N 0.18 0.84 -0.00 2.33 5.08 -1.80 -1.32 114.58 119.90 1aj0 h GLU 73 Ca 0.07 -0.15 -0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1aj0 h GLU 73 Cb 0.28 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.40 1aj0 h GLU 73 CO 0.00 0.73 0.00 1.49 -1.00 0.00 0.00 179.01 180.23 1aj0 h GLU 74 N 0.77 0.00 -0.69 2.33 4.81 -0.87 -2.97 114.58 117.96 1aj0 h GLU 74 Ca 0.19 -0.00 0.08 0.00 -0.13 0.00 0.00 59.36 59.49 1aj0 h GLU 74 Cb 0.21 -0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.52 1aj0 h GLU 74 CO -0.01 0.29 0.36 1.25 -0.73 0.00 0.00 179.01 180.16 1aj0 h LEU 75 N -0.29 0.49 -1.87 1.64 5.85 -0.56 -1.15 115.31 119.43 1aj0 h LEU 75 Ca 0.00 0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.79 1aj0 h LEU 75 Cb 0.29 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 1aj0 h LEU 75 CO 0.00 0.30 0.13 -0.61 -0.34 0.00 0.00 178.44 177.92 1aj0 h GLN 76 N 0.63 0.17 0.00 1.25 5.75 -1.20 -3.05 115.11 118.66 1aj0 h GLN 76 Ca 0.32 -0.01 -0.45 0.00 -0.15 0.00 0.00 58.65 58.37 1aj0 h GLN 76 Cb 0.28 -0.04 -0.07 0.00 1.07 0.00 0.00 27.48 28.73 1aj0 h GLN 76 CO -0.23 0.11 -2.51 0.54 -2.65 0.00 0.00 178.83 174.09 1aj0 n ARG 77 N -4.51 0.59 0.00 1.69 1.74 -0.82 -4.57 116.66 110.79 1aj0 n ARG 77 Ca 0.00 0.24 -0.13 0.00 -0.77 0.00 0.00 57.85 57.19 1aj0 n ARG 77 Cb 0.14 -1.47 -0.09 0.00 -1.02 0.00 0.00 32.46 30.01 1aj0 n ARG 77 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1aj0 h VAL 78 N -0.81 1.26 0.14 1.55 2.07 -1.34 -3.21 116.25 115.92 1aj0 h VAL 78 Ca -0.67 -0.77 0.02 0.00 0.82 0.00 0.00 66.70 66.09 1aj0 h VAL 78 Cb 1.65 1.78 -0.03 0.00 -1.52 0.00 0.00 31.29 33.17 1aj0 h VAL 78 CO -0.36 0.20 -0.26 0.40 0.02 0.00 0.00 177.57 177.56 1aj0 h ILE 79 N -0.32 0.43 -0.84 4.57 1.08 -1.74 0.48 117.51 121.16 1aj0 h ILE 79 Ca 0.00 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.55 1aj0 h ILE 79 Cb 0.33 0.43 -0.07 0.00 -3.07 0.00 0.00 36.82 34.44 1aj0 h ILE 79 CO 0.00 0.00 0.50 -0.65 -0.69 0.00 0.00 178.15 177.31 1aj0 h PRO 80 N -0.49 0.86 0.01 2.37 0.11 -1.79 -1.29 132.00 131.79 1aj0 h PRO 80 Ca 0.02 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.08 1aj0 h PRO 80 Cb 0.50 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 31.42 1aj0 h PRO 80 CO -0.13 0.57 -0.01 0.28 -0.21 0.00 0.00 178.00 178.50 1aj0 h VAL 81 N 0.89 1.23 -0.50 3.15 2.07 -1.45 -1.56 116.25 120.07 1aj0 h VAL 81 Ca 0.38 -0.73 0.08 0.00 0.82 0.00 0.00 66.70 67.26 1aj0 h VAL 81 Cb 0.26 1.72 -0.06 0.00 -1.52 0.00 0.00 31.29 31.68 1aj0 h VAL 81 CO -0.21 0.19 0.13 0.58 0.02 0.00 0.00 177.57 178.28 1aj0 h VAL 82 N -0.33 0.77 -0.33 2.57 2.07 -0.63 -2.35 116.25 118.01 1aj0 h VAL 82 Ca -0.00 -0.10 -0.01 0.00 0.82 0.00 0.00 66.70 67.41 1aj0 h VAL 82 Cb 0.32 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 30.53 1aj0 h VAL 82 CO 0.00 0.05 0.16 -0.08 0.02 0.00 0.00 177.57 177.72 1aj0 h GLU 83 N 0.28 0.48 -0.61 1.57 4.81 -1.17 -1.28 114.58 118.67 1aj0 h GLU 83 Ca 0.25 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.39 1aj0 h GLU 83 Cb 0.30 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.57 1aj0 h GLU 83 CO -0.29 0.45 0.34 0.00 -0.73 0.00 0.00 179.01 178.78 1aj0 h ALA 84 N 1.01 1.46 -0.04 2.92 0.00 -1.10 -0.65 119.26 122.85 1aj0 h ALA 84 Ca 0.11 -0.09 -0.15 0.00 0.00 0.00 0.00 54.91 54.79 1aj0 h ALA 84 Cb 0.13 -0.25 0.01 0.00 0.00 0.00 0.00 17.79 17.68 1aj0 h ALA 84 CO -0.01 0.46 -0.56 0.82 0.00 0.00 0.00 179.25 179.95 1aj0 h ILE 85 N 0.84 1.40 -0.97 0.00 2.04 -1.25 -2.60 117.51 116.98 1aj0 h ILE 85 Ca 0.22 -1.97 0.01 0.00 1.00 0.00 0.00 64.86 64.11 1aj0 h ILE 85 Cb 0.01 2.43 -0.05 0.00 -0.74 0.00 0.00 36.82 38.47 1aj0 h ILE 85 CO -0.04 0.58 0.64 0.00 0.00 0.00 0.00 178.15 179.34 1aj0 h ALA 86 N 0.38 1.31 -0.27 1.87 0.00 -1.01 0.28 119.26 121.82 1aj0 h ALA 86 Ca -0.06 -0.07 -0.14 0.00 0.00 0.00 0.00 54.91 54.64 1aj0 h ALA 86 Cb 1.25 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1aj0 h ALA 86 CO 0.11 0.64 -0.41 1.96 0.00 0.00 0.00 179.25 181.55 1aj0 h GLN 87 N 1.31 0.65 0.12 0.00 4.20 -1.15 -3.36 115.11 116.88 1aj0 h GLN 87 Ca 0.36 -0.34 -0.35 0.00 0.06 0.00 0.00 58.65 58.37 1aj0 h GLN 87 Cb -0.15 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.63 1aj0 h GLN 87 CO -0.08 0.95 -1.92 0.54 -0.67 0.00 0.00 178.83 177.64 1aj0 n ARG 88 N -4.03 0.75 -4.57 1.46 1.74 -0.98 -5.03 116.66 106.00 1aj0 n ARG 88 Ca -0.02 0.29 -0.26 0.00 -0.77 0.00 0.00 57.85 57.09 1aj0 n ARG 88 Cb 0.53 -1.72 -0.11 0.00 -1.02 0.00 0.00 32.46 30.15 1aj0 n ARG 88 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1aj0 s PHE 89 N -2.54 2.28 -2.58 -1.55 0.08 0.95 -5.05 117.98 109.57 1aj0 s PHE 89 Ca -0.23 -0.80 0.24 0.00 0.12 0.00 0.00 56.93 56.27 1aj0 s PHE 89 Cb 0.06 -1.59 0.63 0.00 -0.57 0.00 0.00 43.02 41.55 1aj0 s PHE 89 CO 0.76 0.27 1.50 0.39 -0.10 0.00 0.00 175.22 178.04 1aj0 n GLU 90 N -0.90 2.02 -0.73 0.44 1.02 -1.26 -4.59 120.64 116.65 1aj0 n GLU 90 Ca -0.05 -1.51 -0.31 0.00 -0.02 0.00 0.00 57.16 55.28 1aj0 n GLU 90 Cb 0.67 -1.46 0.17 0.00 -0.02 0.00 0.00 31.44 30.80 1aj0 n GLU 90 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 1aj0 s VAL 91 N -1.85 2.17 0.23 2.62 -7.23 -1.26 -5.01 120.40 110.07 1aj0 s VAL 91 Ca 0.34 0.05 -0.17 0.00 -1.81 0.00 0.00 61.98 60.40 1aj0 s VAL 91 Cb 0.20 -2.13 -0.08 0.00 0.56 0.00 0.00 36.38 34.93 1aj0 s VAL 91 CO 0.30 -0.07 0.69 0.26 -0.31 0.00 0.00 175.10 175.97 1aj0 s TRP 92 N -2.64 3.56 -0.13 2.82 0.52 -0.90 -4.98 118.94 117.19 1aj0 s TRP 92 Ca 0.67 1.26 0.02 0.00 0.02 0.00 0.00 56.10 58.06 1aj0 s TRP 92 Cb -0.23 -2.54 0.02 0.00 -1.15 0.00 0.00 33.47 29.57 1aj0 s TRP 92 CO 0.59 0.29 -0.18 0.42 0.02 0.00 0.00 176.95 178.09 1aj0 s ILE 93 N -1.64 1.75 0.06 2.03 1.01 -1.26 -1.48 121.20 121.68 1aj0 s ILE 93 Ca 0.45 -0.78 0.06 0.00 0.00 0.00 0.00 60.65 60.38 1aj0 s ILE 93 Cb -0.15 -1.59 -0.04 0.00 0.01 0.00 0.00 42.46 40.70 1aj0 s ILE 93 CO 0.20 0.49 -0.09 -0.94 0.00 0.00 0.00 174.94 174.60 1aj0 s SER 94 N 1.06 4.45 -0.21 3.58 1.04 0.20 0.53 113.70 124.35 1aj0 s SER 94 Ca -0.03 -0.30 -0.04 0.00 0.48 0.00 0.00 55.95 56.06 1aj0 s SER 94 Cb -0.14 -0.92 -0.02 0.00 0.10 0.00 0.00 66.02 65.04 1aj0 s SER 94 CO -0.05 0.22 -0.02 -0.69 0.98 0.00 0.00 173.24 173.68 1aj0 s VAL 95 N -1.12 3.63 -0.78 5.02 1.01 0.10 -1.33 120.40 126.93 1aj0 s VAL 95 Ca 0.20 -0.42 -0.16 0.00 0.00 0.00 0.00 61.98 61.60 1aj0 s VAL 95 Cb -0.11 -2.64 0.17 0.00 0.00 0.00 0.00 36.38 33.79 1aj0 s VAL 95 CO 0.11 0.42 0.81 -0.62 0.00 0.00 0.00 175.10 175.82 1aj0 s ASP 96 N 1.27 6.57 0.17 3.32 -1.08 0.57 -0.72 116.67 126.76 1aj0 s ASP 96 Ca 0.03 -2.22 -0.16 0.00 -0.52 0.00 0.00 52.55 49.69 1aj0 s ASP 96 Cb -0.14 -2.27 0.03 0.00 -1.46 0.00 0.00 42.92 39.07 1aj0 s ASP 96 CO -0.00 -0.82 0.45 0.28 0.52 0.00 0.00 175.17 175.60 1aj0 s THR 97 N 1.36 0.04 0.00 1.71 -1.32 -1.20 -3.95 115.64 112.28 1aj0 s THR 97 Ca 0.19 -0.80 0.00 0.00 -1.21 0.00 0.00 61.69 59.87 1aj0 s THR 97 Cb -0.14 -1.49 0.00 0.00 -1.51 0.00 0.00 72.50 69.37 1aj0 s THR 97 CO -0.05 -0.20 0.22 -1.20 -2.21 0.00 0.00 174.62 171.18 1aj0 n SER 98 N -0.29 0.45 -4.69 8.08 7.64 -1.26 -4.19 113.62 119.35 1aj0 n SER 98 Ca -0.11 -0.75 -0.39 0.00 1.01 0.00 0.00 58.87 58.63 1aj0 n SER 98 Cb 0.63 0.29 -0.06 0.00 -1.01 0.00 0.00 64.21 64.05 1aj0 n SER 98 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1aj0 s LYS 99 N -0.29 4.27 0.29 1.43 1.02 -1.26 -4.63 119.74 120.57 1aj0 s LYS 99 Ca 0.00 0.44 -0.01 0.00 0.02 0.00 0.00 55.97 56.42 1aj0 s LYS 99 Cb 0.00 -3.50 0.48 0.00 -0.52 0.00 0.00 37.83 34.29 1aj0 s LYS 99 CO 0.00 0.01 1.92 -1.35 -0.92 0.00 0.00 175.35 175.01 1aj0 h PRO 100 N 7.08 1.06 -0.27 -1.68 0.11 -1.86 -1.38 132.00 135.04 1aj0 h PRO 100 Ca -0.37 -0.06 -0.08 0.00 0.11 0.00 0.00 66.00 65.59 1aj0 h PRO 100 Cb 1.17 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 32.02 1aj0 h PRO 100 CO 0.75 0.70 -0.18 1.05 -0.21 0.00 0.00 178.00 180.11 1aj0 h GLU 101 N 1.09 0.49 -0.18 1.05 9.09 -1.94 0.01 114.58 124.18 1aj0 h GLU 101 Ca 0.38 -0.16 -0.17 0.00 0.05 0.00 0.00 59.36 59.46 1aj0 h GLU 101 Cb 0.10 -0.04 -0.01 0.00 -1.65 0.00 0.00 28.75 27.16 1aj0 h GLU 101 CO -0.13 0.65 -0.57 0.28 0.05 0.00 0.00 179.01 179.29 1aj0 h VAL 102 N 0.44 1.32 0.73 -1.06 2.07 -1.75 0.19 116.25 118.19 1aj0 h VAL 102 Ca 0.08 -1.83 -0.04 0.00 0.82 0.00 0.00 66.70 65.73 1aj0 h VAL 102 Cb 0.56 1.80 0.01 0.00 -1.52 0.00 0.00 31.29 32.14 1aj0 h VAL 102 CO 0.04 0.57 -0.35 0.40 0.02 0.00 0.00 177.57 178.25 1aj0 h ILE 103 N 0.43 0.26 -0.06 4.57 2.04 -0.82 0.70 117.51 124.63 1aj0 h ILE 103 Ca 0.00 -0.07 0.03 0.00 1.00 0.00 0.00 64.86 65.83 1aj0 h ILE 103 Cb 1.12 0.28 -0.03 0.00 -0.74 0.00 0.00 36.82 37.45 1aj0 h ILE 103 CO 0.11 0.01 -0.13 0.03 0.00 0.00 0.00 178.15 178.17 1aj0 h ARG 104 N -1.03 -0.18 0.00 2.37 3.08 -0.93 -1.57 114.38 116.12 1aj0 h ARG 104 Ca -0.10 0.01 -0.04 0.00 0.07 0.00 0.00 59.98 59.92 1aj0 h ARG 104 Cb 0.76 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.85 1aj0 h ARG 104 CO 0.16 -0.12 -0.19 0.93 -1.07 0.00 0.00 179.97 179.69 1aj0 h GLU 105 N -0.18 0.00 -0.11 0.04 4.39 -0.60 -2.91 114.58 115.20 1aj0 h GLU 105 Ca 0.07 0.00 -0.23 0.00 0.34 0.00 0.00 59.36 59.54 1aj0 h GLU 105 Cb 0.28 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.94 1aj0 h GLU 105 CO -0.17 0.19 -0.82 0.77 -1.16 0.00 0.00 179.01 177.81 1aj0 h SER 106 N 0.00 0.87 -0.35 1.42 0.02 -0.18 -3.16 113.55 112.16 1aj0 h SER 106 Ca -0.00 -0.59 0.00 0.00 -0.84 0.00 0.00 61.79 60.36 1aj0 h SER 106 Cb 0.39 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.66 1aj0 h SER 106 CO 0.02 1.38 0.23 0.00 -1.14 0.00 0.00 176.83 177.32 1aj0 h ALA 107 N 0.59 0.44 -0.53 3.77 0.00 -1.11 -2.32 119.26 120.09 1aj0 h ALA 107 Ca -0.06 -0.03 0.12 0.00 0.00 0.00 0.00 54.91 54.94 1aj0 h ALA 107 Cb 1.45 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 19.07 1aj0 h ALA 107 CO 0.16 -0.09 0.37 0.87 0.00 0.00 0.00 179.25 180.56 1aj0 h LYS 108 N 0.47 0.18 -0.62 0.00 1.57 -1.59 -0.49 116.57 116.09 1aj0 h LYS 108 Ca 0.13 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 1aj0 h LYS 108 Cb -0.04 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.22 1aj0 h LYS 108 CO -0.03 0.12 0.00 1.33 -0.57 0.00 0.00 179.45 180.30 1aj0 n VAL 109 N -4.44 1.04 0.00 0.50 0.24 -1.00 -4.95 118.33 109.73 1aj0 n VAL 109 Ca 0.09 -0.87 0.00 0.00 -2.04 0.00 0.00 64.34 61.53 1aj0 n VAL 109 Cb 0.48 0.29 0.00 0.00 -1.47 0.00 0.00 33.84 33.14 1aj0 n VAL 109 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1aj0 n GLY 110 N 1.32 1.04 3.77 7.63 0.00 -0.19 -4.37 105.19 114.39 1aj0 n GLY 110 Ca 0.21 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.86 1aj0 n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aj0 s ALA 111 N -2.00 2.84 -0.15 4.61 0.00 -0.91 -4.77 121.76 121.38 1aj0 s ALA 111 Ca 0.00 0.92 0.13 0.00 0.00 0.00 0.00 51.96 53.01 1aj0 s ALA 111 Cb 0.00 -3.39 -0.18 0.00 0.00 0.00 0.00 23.12 19.55 1aj0 s ALA 111 CO 0.00 -0.77 0.05 0.72 0.00 0.00 0.00 175.76 175.76 1aj0 n HIS 112 N -0.88 0.00 -4.45 0.00 -0.00 0.19 -4.77 115.22 105.31 1aj0 n HIS 112 Ca 0.09 0.00 -0.20 0.00 -0.00 0.00 0.00 57.72 57.62 1aj0 n HIS 112 Cb 0.49 -0.73 -0.15 0.00 -0.00 0.00 0.00 29.99 29.61 1aj0 n HIS 112 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 1aj0 s ILE 113 N -2.36 0.84 -0.46 1.59 1.01 -0.89 -3.96 121.20 116.98 1aj0 s ILE 113 Ca -0.08 -0.48 -0.16 0.00 0.00 0.00 0.00 60.65 59.93 1aj0 s ILE 113 Cb 0.04 -0.71 0.06 0.00 0.01 0.00 0.00 42.46 41.86 1aj0 s ILE 113 CO 0.60 0.22 0.41 -0.63 0.00 0.00 0.00 174.94 175.55 1aj0 s ILE 114 N -0.28 5.18 -0.76 2.92 1.01 -0.70 0.01 121.20 128.58 1aj0 s ILE 114 Ca 0.04 -0.85 -0.10 0.00 0.00 0.00 0.00 60.65 59.74 1aj0 s ILE 114 Cb -0.04 -4.11 0.20 0.00 0.01 0.00 0.00 42.46 38.52 1aj0 s ILE 114 CO -0.00 -0.55 0.66 0.21 0.00 0.00 0.00 174.94 175.26 1aj0 s ASN 115 N 2.38 6.23 -0.39 3.58 2.47 0.10 -0.91 114.94 128.40 1aj0 s ASN 115 Ca 0.06 -2.76 -0.12 0.00 0.42 0.00 0.00 52.86 50.46 1aj0 s ASN 115 Cb -0.22 -2.09 0.03 0.00 -1.45 0.00 0.00 41.25 37.52 1aj0 s ASN 115 CO 0.09 -0.50 0.24 -0.62 -3.72 0.00 0.00 177.10 172.59 1aj0 s ASP 116 N 1.63 5.86 0.54 -4.21 2.15 -1.24 -3.26 116.67 118.13 1aj0 s ASP 116 Ca 0.18 -1.01 0.36 0.00 0.43 0.00 0.00 52.55 52.51 1aj0 s ASP 116 Cb -0.14 -2.07 1.83 0.00 -0.30 0.00 0.00 42.92 42.24 1aj0 s ASP 116 CO -0.07 -0.42 2.10 0.16 -0.17 0.00 0.00 175.17 176.76 1aj0 h ILE 117 N 5.81 0.00 -0.17 4.11 -2.65 -1.86 -0.29 117.51 122.46 1aj0 h ILE 117 Ca -0.26 -0.15 0.00 0.00 1.03 0.00 0.00 64.86 65.49 1aj0 h ILE 117 Cb 1.11 1.03 0.00 0.00 -2.05 0.00 0.00 36.82 36.91 1aj0 h ILE 117 CO 0.70 0.00 0.00 0.54 0.03 0.00 0.00 178.15 179.42 1aj0 n ARG 118 N -2.86 1.74 -3.87 0.16 1.74 -1.26 -4.54 116.66 107.76 1aj0 n ARG 118 Ca -0.01 -1.11 -0.28 0.00 -0.77 0.00 0.00 57.85 55.68 1aj0 n ARG 118 Cb 0.14 -1.39 0.02 0.00 -1.02 0.00 0.00 32.46 30.21 1aj0 n ARG 118 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1aj0 n SER 119 N 0.33 -3.39 -3.73 0.55 7.64 -0.12 -2.24 113.62 112.66 1aj0 n SER 119 Ca 0.16 -0.82 -0.26 0.00 1.01 0.00 0.00 58.87 58.96 1aj0 n SER 119 Cb 0.33 -3.83 0.05 0.00 -1.01 0.00 0.00 64.21 59.76 1aj0 n SER 119 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1aj0 n LEU 120 N -4.54 -3.06 0.05 -3.43 4.77 -1.26 -4.90 117.00 104.63 1aj0 n LEU 120 Ca -0.08 -0.67 0.11 0.00 -0.03 0.00 0.00 56.01 55.34 1aj0 n LEU 120 Cb 0.58 -2.81 0.04 0.00 -2.33 0.00 0.00 43.42 38.90 1aj0 n LEU 120 CO 0.74 0.54 0.04 -1.54 -1.33 0.00 0.00 177.39 175.83 1aj0 n SER 121 N -2.95 0.65 -4.77 -1.43 3.41 -0.95 -3.93 113.62 103.65 1aj0 n SER 121 Ca -0.02 0.01 -0.40 0.00 -0.26 0.00 0.00 58.87 58.20 1aj0 n SER 121 Cb 0.56 0.64 -0.03 0.00 -0.26 0.00 0.00 64.21 65.12 1aj0 n SER 121 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1aj0 s GLU 122 N -3.25 4.38 -0.14 4.33 0.41 -1.26 -4.92 118.70 118.26 1aj0 s GLU 122 Ca 0.03 1.93 -0.38 0.00 -0.41 0.00 0.00 54.97 56.14 1aj0 s GLU 122 Cb 0.13 -3.00 -0.15 0.00 -1.78 0.00 0.00 34.13 29.33 1aj0 s GLU 122 CO 0.79 -0.06 1.65 -2.30 -0.49 0.00 0.00 175.26 174.85 1aj0 n PRO 123 N 0.74 1.35 -0.40 0.39 -0.02 -1.26 -0.58 135.00 135.21 1aj0 n PRO 123 Ca 0.01 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 1aj0 n PRO 123 Cb 0.44 -2.19 0.00 0.00 -0.02 0.00 0.00 33.50 31.73 1aj0 n PRO 123 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1aj0 n GLY 124 N 3.75 1.47 0.23 -1.23 0.00 -1.26 -4.79 105.19 103.37 1aj0 n GLY 124 Ca 0.23 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.13 1aj0 n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aj0 h ALA 125 N 0.00 0.49 -0.39 4.61 0.00 -1.12 -2.57 119.26 120.28 1aj0 h ALA 125 Ca 0.00 -0.40 0.03 0.00 0.00 0.00 0.00 54.91 54.54 1aj0 h ALA 125 Cb 0.00 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 1aj0 h ALA 125 CO 0.00 0.50 0.18 1.25 0.00 0.00 0.00 179.25 181.19 1aj0 h LEU 126 N 0.56 0.26 -0.70 0.00 5.85 -1.77 -1.66 115.31 117.85 1aj0 h LEU 126 Ca 0.06 0.02 -0.10 0.00 0.84 0.00 0.00 57.88 58.70 1aj0 h LEU 126 Cb 0.85 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.84 1aj0 h LEU 126 CO 0.07 0.19 -0.13 -0.33 -0.34 0.00 0.00 178.44 177.91 1aj0 h GLU 127 N 0.37 0.87 -0.39 1.25 3.07 -1.94 -1.81 114.58 116.01 1aj0 h GLU 127 Ca 0.17 -0.31 -0.11 0.00 -0.50 0.00 0.00 59.36 58.60 1aj0 h GLU 127 Cb 0.09 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 27.92 1aj0 h GLU 127 CO -0.13 0.95 -0.21 0.00 -1.40 0.00 0.00 179.01 178.22 1aj0 h ALA 128 N 1.07 0.89 0.01 3.43 0.00 -1.28 -1.84 119.26 121.54 1aj0 h ALA 128 Ca 0.12 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 1aj0 h ALA 128 Cb 0.64 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1aj0 h ALA 128 CO 0.04 0.63 -0.00 0.00 0.00 0.00 0.00 179.25 179.92 1aj0 h ALA 129 N 1.09 -0.01 -0.36 0.00 0.00 -1.14 -2.91 119.26 115.92 1aj0 h ALA 129 Ca 0.10 -0.16 0.07 0.00 0.00 0.00 0.00 54.91 54.91 1aj0 h ALA 129 Cb 0.72 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.45 1aj0 h ALA 129 CO 0.06 -0.34 -0.02 0.00 0.00 0.00 0.00 179.25 178.94 1aj0 h ALA 130 N 0.65 0.30 -0.84 0.00 0.00 -1.28 -1.81 119.26 116.28 1aj0 h ALA 130 Ca -0.00 0.11 0.12 0.00 0.00 0.00 0.00 54.91 55.14 1aj0 h ALA 130 Cb 0.33 0.20 -0.06 0.00 0.00 0.00 0.00 17.79 18.26 1aj0 h ALA 130 CO 0.00 -0.42 0.54 0.93 0.00 0.00 0.00 179.25 180.31 1aj0 h GLU 131 N 0.07 0.67 0.00 0.00 5.08 -1.29 -1.92 114.58 117.19 1aj0 h GLU 131 Ca 0.17 -0.04 -0.13 0.00 -1.00 0.00 0.00 59.36 58.36 1aj0 h GLU 131 Cb 0.25 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 1aj0 h GLU 131 CO -0.31 0.44 -0.63 1.79 -1.00 0.00 0.00 179.01 179.30 1aj0 h THR 132 N 0.69 1.38 -0.19 1.13 1.35 -1.14 -3.47 112.91 112.65 1aj0 h THR 132 Ca 0.41 -2.22 -0.08 0.00 -0.55 0.00 0.00 66.41 63.96 1aj0 h THR 132 Cb 0.61 2.22 -0.03 0.00 -1.73 0.00 0.00 68.15 69.22 1aj0 h THR 132 CO -0.17 0.62 -0.08 0.61 -0.25 0.00 0.00 175.52 176.25 1aj0 n GLY 133 N 0.44 0.61 3.88 5.82 0.00 -0.72 -5.00 105.19 110.21 1aj0 n GLY 133 Ca -0.01 -0.20 -0.30 0.00 0.00 0.00 0.00 46.02 45.51 1aj0 n GLY 133 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1aj0 s LEU 134 N -0.93 3.47 0.48 0.99 1.43 -1.26 -5.03 118.68 117.83 1aj0 s LEU 134 Ca 0.00 1.22 -0.23 0.00 -1.03 0.00 0.00 54.13 54.09 1aj0 s LEU 134 Cb 0.00 -4.21 -0.07 0.00 0.03 0.00 0.00 46.19 41.94 1aj0 s LEU 134 CO 0.00 -0.69 1.31 -2.84 0.23 0.00 0.00 176.35 174.36 1aj0 s PRO 135 N -4.79 3.55 -0.05 1.29 0.02 -1.25 -4.88 135.00 128.88 1aj0 s PRO 135 Ca 0.52 2.14 0.05 0.00 0.02 0.00 0.00 61.00 63.73 1aj0 s PRO 135 Cb -0.11 -2.47 -0.00 0.00 0.02 0.00 0.00 34.50 31.95 1aj0 s PRO 135 CO 0.46 -0.83 -0.19 0.14 -0.33 0.00 0.00 177.00 176.25 1aj0 s VAL 136 N -1.33 1.62 -0.18 3.83 -7.23 -0.34 -1.72 120.40 115.05 1aj0 s VAL 136 Ca 0.65 -0.81 -0.14 0.00 -1.81 0.00 0.00 61.98 59.87 1aj0 s VAL 136 Cb -0.38 -1.40 -0.05 0.00 0.56 0.00 0.00 36.38 35.12 1aj0 s VAL 136 CO 0.46 0.46 0.28 0.00 -0.31 0.00 0.00 175.10 176.00 1aj0 s LEU 138 N 0.67 3.59 -0.01 0.00 1.43 -0.05 -3.69 118.68 120.63 1aj0 s LEU 138 Ca 0.15 -0.03 0.08 0.00 -1.03 0.00 0.00 54.13 53.31 1aj0 s LEU 138 Cb -0.13 -1.90 -0.02 0.00 0.03 0.00 0.00 46.19 44.16 1aj0 s LEU 138 CO 0.04 0.14 -0.26 -0.32 0.23 0.00 0.00 176.35 176.18 1aj0 s MET 139 N 0.57 2.07 0.04 1.70 1.75 -1.26 -1.33 119.30 122.83 1aj0 s MET 139 Ca 0.01 -0.96 -0.25 0.00 -1.25 0.00 0.00 55.69 53.24 1aj0 s MET 139 Cb -0.13 -2.04 -0.05 0.00 2.84 0.00 0.00 34.83 35.45 1aj0 s MET 139 CO 0.02 0.55 0.78 -1.58 -0.65 0.00 0.00 175.02 174.14 1aj0 s HIS 140 N -0.65 3.72 -0.21 4.11 2.46 -0.80 -4.61 115.29 119.31 1aj0 s HIS 140 Ca 0.10 1.48 -0.22 0.00 0.47 0.00 0.00 55.06 56.90 1aj0 s HIS 140 Cb -0.10 -2.85 0.06 0.00 -0.13 0.00 0.00 32.58 29.56 1aj0 s HIS 140 CO -0.00 0.24 0.60 1.41 -2.47 0.00 0.00 174.74 174.52 1aj0 s MET 141 N 0.07 0.73 -0.26 2.88 0.00 -1.26 -4.06 119.30 117.40 1aj0 s MET 141 Ca 0.40 0.77 -0.03 0.00 0.00 0.00 0.00 55.69 56.82 1aj0 s MET 141 Cb -0.20 0.36 0.02 0.00 0.00 0.00 0.00 34.83 35.00 1aj0 s MET 141 CO 0.23 -0.11 -0.02 -1.14 0.00 0.00 0.00 175.02 173.99 1aj0 s GLN 142 N 0.15 2.92 0.95 4.11 2.00 -1.25 -5.03 119.66 123.51 1aj0 s GLN 142 Ca -0.01 -0.94 0.00 0.00 -2.00 0.00 0.00 55.36 52.41 1aj0 s GLN 142 Cb -0.04 -3.11 0.00 0.00 0.80 0.00 0.00 33.01 30.67 1aj0 s GLN 142 CO 0.02 -0.41 0.00 0.41 -0.50 0.00 0.00 175.29 174.81 1aj0 n GLY 143 N 4.73 -0.45 3.57 2.59 0.00 -1.26 -4.03 105.19 110.34 1aj0 n GLY 143 Ca -0.16 -1.62 -0.35 0.00 0.00 0.00 0.00 46.02 43.89 1aj0 n GLY 143 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1aj0 s ASN 144 N -4.00 5.41 0.19 1.61 3.84 -1.26 -5.01 114.94 115.72 1aj0 s ASN 144 Ca 0.00 -0.02 -0.13 0.00 0.21 0.00 0.00 52.86 52.92 1aj0 s ASN 144 Cb 0.00 -1.93 0.22 0.00 -0.55 0.00 0.00 41.25 38.98 1aj0 s ASN 144 CO 0.00 0.12 1.67 1.55 -2.79 0.00 0.00 177.10 177.65 1aj0 h PRO 145 N 7.10 0.10 -0.99 0.43 0.13 -1.91 -2.50 132.00 134.35 1aj0 h PRO 145 Ca -0.36 -0.01 -0.05 0.00 -0.87 0.00 0.00 66.00 64.71 1aj0 h PRO 145 Cb 1.17 -0.02 -0.03 0.00 0.13 0.00 0.00 31.00 32.25 1aj0 h PRO 145 CO 0.66 0.06 0.07 1.63 -0.23 0.00 0.00 178.00 180.19 1aj0 n LYS 146 N -5.27 1.18 -3.69 0.86 5.02 -1.26 -4.26 118.16 110.74 1aj0 n LYS 146 Ca 0.06 -0.35 -0.37 0.00 -2.02 0.00 0.00 58.31 55.63 1aj0 n LYS 146 Cb 0.29 -1.19 -0.07 0.00 -0.02 0.00 0.00 35.03 34.05 1aj0 n LYS 146 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1aj0 s THR 147 N -0.48 5.35 -1.35 -0.18 -4.23 -0.94 -1.98 115.64 111.83 1aj0 s THR 147 Ca 0.07 0.41 0.11 0.00 -1.18 0.00 0.00 61.69 61.10 1aj0 s THR 147 Cb 0.06 -3.53 0.42 0.00 1.34 0.00 0.00 72.50 70.78 1aj0 s THR 147 CO 0.01 0.52 1.27 0.23 -0.54 0.00 0.00 174.62 176.11 1aj0 n MET 148 N 2.66 2.56 -1.80 3.99 2.81 -1.26 -4.69 117.12 121.39 1aj0 n MET 148 Ca -0.16 -1.66 -0.30 0.00 -1.81 0.00 0.00 57.70 53.77 1aj0 n MET 148 Cb 0.53 -1.61 0.06 0.00 -0.71 0.00 0.00 33.22 31.50 1aj0 n MET 148 CO 0.00 0.00 0.00 -1.14 1.51 0.00 0.00 175.97 176.34 1aj0 s GLN 149 N -1.69 2.56 0.44 0.03 0.74 -1.26 -5.07 119.66 115.41 1aj0 s GLN 149 Ca 0.30 0.47 -0.09 0.00 0.05 0.00 0.00 55.36 56.08 1aj0 s GLN 149 Cb 0.19 -1.99 -0.06 0.00 1.10 0.00 0.00 33.01 32.26 1aj0 s GLN 149 CO 0.15 -1.25 0.80 -1.21 -0.55 0.00 0.00 175.29 173.22 1aj0 s GLU 150 N -5.33 3.72 0.31 1.67 0.41 -1.26 -5.04 118.70 113.18 1aj0 s GLU 150 Ca 0.59 0.44 -0.29 0.00 -0.41 0.00 0.00 54.97 55.30 1aj0 s GLU 150 Cb -0.12 -2.36 -0.10 0.00 -1.78 0.00 0.00 34.13 29.77 1aj0 s GLU 150 CO 0.52 -0.12 1.36 0.00 -0.49 0.00 0.00 175.26 176.53 1aj0 s ALA 151 N -2.52 3.54 1.38 5.21 0.00 -1.26 -5.00 121.76 123.11 1aj0 s ALA 151 Ca 0.51 1.30 -0.21 0.00 0.00 0.00 0.00 51.96 53.56 1aj0 s ALA 151 Cb -0.10 -3.51 0.35 0.00 0.00 0.00 0.00 23.12 19.86 1aj0 s ALA 151 CO 0.36 -0.70 0.95 -2.14 0.00 0.00 0.00 175.76 174.22 1aj0 s PRO 152 N -1.41 -2.60 0.08 0.00 0.02 -1.26 -4.95 135.00 124.87 1aj0 s PRO 152 Ca 0.52 0.25 0.04 0.00 0.02 0.00 0.00 61.00 61.83 1aj0 s PRO 152 Cb -0.41 -1.41 -0.04 0.00 0.02 0.00 0.00 34.50 32.67 1aj0 s PRO 152 CO 0.51 -4.69 0.03 0.15 -0.33 0.00 0.00 177.00 172.67 1aj0 s LYS 153 N -4.97 2.69 0.04 5.54 1.02 -1.26 -4.80 119.74 118.00 1aj0 s LYS 153 Ca 0.69 -0.77 0.03 0.00 0.02 0.00 0.00 55.97 55.93 1aj0 s LYS 153 Cb -0.15 -2.62 -0.02 0.00 -0.52 0.00 0.00 37.83 34.52 1aj0 s LYS 153 CO 0.59 0.55 -0.09 0.71 -0.92 0.00 0.00 175.35 176.19 1aj0 s TYR 154 N -1.34 0.81 0.08 3.18 1.51 -1.26 -5.02 117.35 115.31 1aj0 s TYR 154 Ca 0.27 -0.38 -0.18 0.00 -1.01 0.00 0.00 57.07 55.77 1aj0 s TYR 154 Cb -0.12 -0.48 -0.09 0.00 -0.11 0.00 0.00 41.96 41.16 1aj0 s TYR 154 CO 0.20 -0.03 1.49 0.22 -1.11 0.00 0.00 175.55 176.32 1aj0 h ASP 155 N 4.88 0.47 -1.04 2.29 3.58 -2.04 -3.42 116.42 121.13 1aj0 h ASP 155 Ca -0.35 -0.35 0.10 0.00 0.42 0.00 0.00 57.03 56.85 1aj0 h ASP 155 Cb 1.19 -0.13 -0.21 0.00 1.72 0.00 0.00 39.33 41.91 1aj0 h ASP 155 CO 0.43 0.70 -0.22 -0.62 -2.88 0.00 0.00 179.24 176.65 1aj0 s ASP 156 N -6.03 -1.29 0.23 2.28 -1.08 -1.26 -5.07 116.67 104.46 1aj0 s ASP 156 Ca -0.14 0.90 -0.07 0.00 -0.52 0.00 0.00 52.55 52.72 1aj0 s ASP 156 Cb 0.07 2.12 0.24 0.00 -1.46 0.00 0.00 42.92 43.89 1aj0 s ASP 156 CO 0.76 -0.24 1.90 1.62 0.52 0.00 0.00 175.17 179.72 1aj0 h VAL 157 N 5.94 1.20 -0.62 1.11 3.04 -1.97 -2.19 116.25 122.75 1aj0 h VAL 157 Ca -0.22 -0.40 -0.09 0.00 -1.01 0.00 0.00 66.70 64.98 1aj0 h VAL 157 Cb 1.15 -0.08 -0.02 0.00 -2.01 0.00 0.00 31.29 30.33 1aj0 h VAL 157 CO 0.22 0.21 0.04 0.15 -1.01 0.00 0.00 177.57 177.18 1aj0 h PHE 158 N 1.17 1.15 -0.41 3.17 3.04 -1.94 -1.52 116.94 121.60 1aj0 h PHE 158 Ca 0.34 -0.18 -0.11 0.00 3.98 0.00 0.00 57.97 62.00 1aj0 h PHE 158 Cb -0.08 -0.31 -0.01 0.00 2.56 0.00 0.00 35.95 38.10 1aj0 h PHE 158 CO -0.01 0.99 -0.20 0.00 -2.02 0.00 0.00 178.31 177.07 1aj0 h ALA 159 N 1.05 0.88 -0.58 2.41 0.00 -1.93 -1.97 119.26 119.11 1aj0 h ALA 159 Ca 0.18 -0.36 -0.10 0.00 0.00 0.00 0.00 54.91 54.63 1aj0 h ALA 159 Cb 0.51 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1aj0 h ALA 159 CO 0.02 0.63 -0.03 1.49 0.00 0.00 0.00 179.25 181.36 1aj0 h GLU 160 N 0.70 1.03 -0.44 0.00 4.57 -1.17 -0.96 114.58 118.31 1aj0 h GLU 160 Ca 0.10 -0.34 -0.09 0.00 -1.18 0.00 0.00 59.36 57.85 1aj0 h GLU 160 Cb 0.71 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 29.20 1aj0 h GLU 160 CO 0.05 1.03 -0.09 0.28 -1.18 0.00 0.00 179.01 179.10 1aj0 h VAL 161 N 0.94 1.27 0.34 0.32 2.07 -1.11 -1.55 116.25 118.53 1aj0 h VAL 161 Ca 0.16 -1.19 -0.01 0.00 0.82 0.00 0.00 66.70 66.48 1aj0 h VAL 161 Cb 0.58 1.14 -0.01 0.00 -1.52 0.00 0.00 31.29 31.48 1aj0 h VAL 161 CO 0.03 0.41 -0.26 -1.13 0.02 0.00 0.00 177.57 176.64 1aj0 h ASN 162 N 0.67 -0.66 -0.51 0.57 -1.24 -1.28 -1.30 115.58 111.83 1aj0 h ASN 162 Ca 0.11 0.05 -0.02 0.00 0.71 0.00 0.00 56.30 57.15 1aj0 h ASN 162 Cb 0.62 0.21 -0.03 0.00 0.73 0.00 0.00 38.32 39.85 1aj0 h ASN 162 CO 0.04 -0.39 0.25 0.08 -1.29 0.00 0.00 177.43 176.12 1aj0 h ARG 163 N -0.60 0.77 -0.45 6.67 -0.00 -1.10 -1.34 114.38 118.34 1aj0 h ARG 163 Ca -0.03 -0.10 0.01 0.00 -0.00 0.00 0.00 59.98 59.86 1aj0 h ARG 163 Cb 0.52 -0.15 -0.03 0.00 -0.00 0.00 0.00 29.97 30.31 1aj0 h ARG 163 CO -0.00 0.61 0.29 -0.92 -0.00 0.00 0.00 179.97 179.95 1aj0 h TYR 164 N 0.77 0.54 -0.19 4.08 3.20 -0.99 -2.04 116.97 122.34 1aj0 h TYR 164 Ca 0.19 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.08 1aj0 h TYR 164 Cb 0.10 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.18 1aj0 h TYR 164 CO 0.01 0.33 0.13 0.74 -1.64 0.00 0.00 178.16 177.73 1aj0 h PHE 165 N 0.58 0.25 -0.44 -3.82 0.04 -0.39 -0.05 116.94 113.11 1aj0 h PHE 165 Ca 0.17 0.00 0.06 0.00 2.80 0.00 0.00 57.97 61.01 1aj0 h PHE 165 Cb -0.04 -0.08 -0.05 0.00 2.20 0.00 0.00 35.95 37.97 1aj0 h PHE 165 CO -0.05 0.16 0.12 0.82 -0.60 0.00 0.00 178.31 178.76 1aj0 h ILE 166 N 0.26 0.81 -0.74 -0.55 2.04 -0.91 -1.01 117.51 117.42 1aj0 h ILE 166 Ca 0.07 -0.09 -0.03 0.00 1.00 0.00 0.00 64.86 65.81 1aj0 h ILE 166 Cb -0.02 0.52 -0.03 0.00 -0.74 0.00 0.00 36.82 36.55 1aj0 h ILE 166 CO -0.02 0.05 0.34 -0.08 0.00 0.00 0.00 178.15 178.44 1aj0 h GLU 167 N 0.27 1.07 -0.12 2.37 4.81 -1.14 -2.74 114.58 119.10 1aj0 h GLU 167 Ca 0.21 -0.17 -0.20 0.00 -0.13 0.00 0.00 59.36 59.07 1aj0 h GLU 167 Cb 0.24 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.43 1aj0 h GLU 167 CO -0.24 0.85 -0.73 1.96 -0.73 0.00 0.00 179.01 180.11 1aj0 h GLN 168 N 1.04 0.57 -0.87 1.92 1.08 -0.67 -2.16 115.11 116.02 1aj0 h GLN 168 Ca 0.25 -0.46 0.02 0.00 -1.45 0.00 0.00 58.65 57.01 1aj0 h GLN 168 Cb 0.14 0.09 -0.05 0.00 -0.05 0.00 0.00 27.48 27.62 1aj0 h GLN 168 CO -0.03 1.08 0.57 0.82 -0.95 0.00 0.00 178.83 180.33 1aj0 h ILE 169 N 0.40 1.19 -0.09 2.54 2.04 -1.14 -1.90 117.51 120.55 1aj0 h ILE 169 Ca -0.03 -0.40 -0.00 0.00 1.00 0.00 0.00 64.86 65.43 1aj0 h ILE 169 Cb 1.32 -0.06 -0.00 0.00 -0.74 0.00 0.00 36.82 37.34 1aj0 h ILE 169 CO 0.14 0.21 0.05 0.00 0.00 0.00 0.00 178.15 178.55 1aj0 h ALA 170 N 1.34 0.12 -0.98 1.87 0.00 -1.36 -2.02 119.26 118.22 1aj0 h ALA 170 Ca 0.33 -0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.25 1aj0 h ALA 170 Cb -0.09 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 17.60 1aj0 h ALA 170 CO -0.09 -0.34 0.64 -0.09 0.00 0.00 0.00 179.25 179.37 1aj0 h ARG 171 N 0.05 1.12 -0.27 0.00 2.43 -1.15 -1.32 114.38 115.24 1aj0 h ARG 171 Ca 0.03 -0.07 -0.08 0.00 -0.81 0.00 0.00 59.98 59.05 1aj0 h ARG 171 Cb 0.09 -0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 29.38 1aj0 h ARG 171 CO -0.00 0.74 -0.16 0.00 -1.51 0.00 0.00 179.97 179.04 1aj0 h GLU 173 N 0.32 0.56 -0.25 0.00 5.08 -1.08 0.11 114.58 119.32 1aj0 h GLU 173 Ca 0.06 -0.15 0.07 0.00 -1.00 0.00 0.00 59.36 58.34 1aj0 h GLU 173 Cb 0.68 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 1aj0 h GLU 173 CO 0.04 0.64 0.20 1.96 -1.00 0.00 0.00 179.01 180.86 1aj0 h GLN 174 N 0.40 0.00 -0.02 2.33 4.20 -1.23 0.94 115.11 121.73 1aj0 h GLN 174 Ca 0.10 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.81 1aj0 h GLN 174 Cb 0.35 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.13 1aj0 h GLN 174 CO 0.01 0.00 -0.11 0.00 -0.67 0.00 0.00 178.83 178.06 1aj0 n ALA 175 N -2.49 2.77 0.00 3.87 0.00 -0.84 -4.95 120.51 118.87 1aj0 n ALA 175 Ca 0.03 -0.48 0.00 0.00 0.00 0.00 0.00 53.44 52.99 1aj0 n ALA 175 Cb 0.35 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.72 1aj0 n ALA 175 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1aj0 n GLY 176 N 1.26 0.51 3.54 0.00 0.00 0.32 -4.89 105.19 105.93 1aj0 n GLY 176 Ca 0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 1aj0 n GLY 176 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1aj0 s ILE 177 N -2.00 4.48 0.23 -0.61 1.01 0.32 -4.96 121.20 119.68 1aj0 s ILE 177 Ca 0.00 0.42 -0.32 0.00 0.00 0.00 0.00 60.65 60.76 1aj0 s ILE 177 Cb 0.00 -4.45 -0.12 0.00 0.01 0.00 0.00 42.46 37.89 1aj0 s ILE 177 CO 0.00 -0.94 1.62 0.00 0.00 0.00 0.00 174.94 175.62 1aj0 n ALA 178 N 7.17 2.27 -0.39 9.38 0.00 -1.26 -3.19 120.51 134.50 1aj0 n ALA 178 Ca 0.03 0.40 0.31 0.00 0.00 0.00 0.00 53.44 54.18 1aj0 n ALA 178 Cb 0.48 -2.44 0.59 0.00 0.00 0.00 0.00 19.45 18.07 1aj0 n ALA 178 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1aj0 h LYS 179 N 5.67 0.19 0.00 0.00 3.64 -1.94 0.89 116.57 125.01 1aj0 h LYS 179 Ca -0.45 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.92 1aj0 h LYS 179 Cb 1.23 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.00 1aj0 h LYS 179 CO 0.87 0.13 0.00 0.39 -2.27 0.00 0.00 179.45 178.56 1aj0 n GLU 180 N -4.75 0.34 -0.11 1.90 4.71 -1.26 -1.35 120.64 120.13 1aj0 n GLU 180 Ca 0.33 0.03 0.09 0.00 -0.01 0.00 0.00 57.16 57.60 1aj0 n GLU 180 Cb 1.22 -1.50 0.14 0.00 -1.01 0.00 0.00 31.44 30.29 1aj0 n GLU 180 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 1aj0 n LYS 181 N -1.05 1.98 -3.84 3.49 5.02 0.31 -5.00 118.16 119.07 1aj0 n LYS 181 Ca 0.09 -1.88 -0.28 0.00 -2.02 0.00 0.00 58.31 54.22 1aj0 n LYS 181 Cb 0.05 -1.38 -0.03 0.00 -0.02 0.00 0.00 35.03 33.65 1aj0 n LYS 181 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1aj0 s LEU 182 N -1.29 4.30 0.03 -0.35 1.43 -0.46 -1.20 118.68 121.14 1aj0 s LEU 182 Ca 0.27 0.30 0.06 0.00 -1.03 0.00 0.00 54.13 53.73 1aj0 s LEU 182 Cb 0.17 -3.04 -0.02 0.00 0.03 0.00 0.00 46.19 43.33 1aj0 s LEU 182 CO 0.23 0.05 -0.19 -0.76 0.23 0.00 0.00 176.35 175.91 1aj0 s LEU 183 N -3.06 2.13 0.00 1.79 1.02 -0.66 -4.24 118.68 115.66 1aj0 s LEU 183 Ca 0.36 -0.46 0.05 0.00 0.02 0.00 0.00 54.13 54.10 1aj0 s LEU 183 Cb -0.12 -0.90 -0.03 0.00 0.02 0.00 0.00 46.19 45.16 1aj0 s LEU 183 CO 0.28 0.15 -0.14 -0.76 0.02 0.00 0.00 176.35 175.91 1aj0 s LEU 184 N -0.98 2.81 -0.10 1.79 1.43 -0.54 -0.87 118.68 122.22 1aj0 s LEU 184 Ca 0.06 -0.27 -0.04 0.00 -1.03 0.00 0.00 54.13 52.86 1aj0 s LEU 184 Cb -0.08 -1.62 0.05 0.00 0.03 0.00 0.00 46.19 44.57 1aj0 s LEU 184 CO 0.01 0.29 0.18 -0.62 0.23 0.00 0.00 176.35 176.45 1aj0 s ASP 185 N -1.20 0.68 0.28 2.29 -1.08 -0.44 -0.61 116.67 116.59 1aj0 s ASP 185 Ca 0.14 0.38 0.22 0.00 -0.52 0.00 0.00 52.55 52.77 1aj0 s ASP 185 Cb -0.11 0.37 1.04 0.00 -1.46 0.00 0.00 42.92 42.77 1aj0 s ASP 185 CO 0.04 -0.25 1.66 -0.81 0.52 0.00 0.00 175.17 176.33 1aj0 n PRO 186 N 5.33 0.16 -2.47 4.34 -0.04 -1.26 -1.91 135.00 139.14 1aj0 n PRO 186 Ca -0.05 0.54 -0.03 0.00 -0.04 0.00 0.00 63.50 63.91 1aj0 n PRO 186 Cb 0.50 -1.90 0.02 0.00 -0.04 0.00 0.00 33.50 32.07 1aj0 n PRO 186 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1aj0 n GLY 187 N -0.73 -0.66 3.76 0.55 0.00 -1.26 -4.33 105.19 102.52 1aj0 n GLY 187 Ca 0.00 0.21 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 1aj0 n GLY 187 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1aj0 s PHE 188 N -3.09 2.68 0.00 1.61 0.08 -1.26 -1.74 117.98 116.26 1aj0 s PHE 188 Ca 0.10 0.95 0.00 0.00 0.12 0.00 0.00 56.93 58.11 1aj0 s PHE 188 Cb -0.01 -4.05 0.00 0.00 -0.57 0.00 0.00 43.02 38.39 1aj0 s PHE 188 CO 0.44 -3.32 0.00 0.41 -0.10 0.00 0.00 175.22 172.65 1aj0 n GLY 189 N 1.41 1.93 3.25 4.36 0.00 -1.26 -4.94 105.19 109.94 1aj0 n GLY 189 Ca 0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 1aj0 n GLY 189 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1aj0 s PHE 190 N -3.14 3.36 -0.78 1.61 0.08 -0.71 -4.41 117.98 114.00 1aj0 s PHE 190 Ca 0.00 -1.65 -0.03 0.00 0.12 0.00 0.00 56.93 55.37 1aj0 s PHE 190 Cb 0.00 -3.57 0.00 0.00 -0.57 0.00 0.00 43.02 38.88 1aj0 s PHE 190 CO 0.00 -0.99 0.38 0.41 -0.10 0.00 0.00 175.22 174.91 1aj0 n GLY 191 N 5.03 0.09 2.83 4.36 0.00 -1.26 -3.76 105.19 112.48 1aj0 n GLY 191 Ca -0.10 -0.29 -0.16 0.00 0.00 0.00 0.00 46.02 45.47 1aj0 n GLY 191 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1aj0 s LYS 192 N -5.24 0.21 0.72 1.61 1.02 -1.26 -4.19 119.74 112.60 1aj0 s LYS 192 Ca 0.19 0.07 -0.08 0.00 0.02 0.00 0.00 55.97 56.17 1aj0 s LYS 192 Cb -0.08 -0.38 0.16 0.00 -0.52 0.00 0.00 37.83 37.01 1aj0 s LYS 192 CO 0.23 -0.11 0.98 0.27 -0.92 0.00 0.00 175.35 175.80 1aj0 n ASN 193 N 3.94 0.51 -0.07 2.83 0.23 -1.26 -4.66 115.26 116.77 1aj0 n ASN 193 Ca -0.25 -1.62 -0.07 0.00 -0.53 0.00 0.00 54.58 52.11 1aj0 n ASN 193 Cb 0.52 -0.71 -0.01 0.00 -2.08 0.00 0.00 39.78 37.51 1aj0 n ASN 193 CO 0.00 0.00 0.00 0.25 -0.93 0.00 0.00 177.26 176.58 1aj0 h LEU 194 N 0.00 -0.63 -0.40 -4.53 5.85 -1.96 -2.00 115.31 111.64 1aj0 h LEU 194 Ca -0.32 0.13 0.04 0.00 0.84 0.00 0.00 57.88 58.58 1aj0 h LEU 194 Cb 0.98 0.32 -0.04 0.00 0.37 0.00 0.00 40.66 42.30 1aj0 h LEU 194 CO 0.27 -0.23 0.16 0.28 -0.34 0.00 0.00 178.44 178.57 1aj0 h SER 195 N -0.16 0.18 -0.73 1.25 0.02 -1.99 -1.82 113.55 110.29 1aj0 h SER 195 Ca 0.16 0.04 -0.00 0.00 -0.84 0.00 0.00 61.79 61.14 1aj0 h SER 195 Cb 0.40 0.01 -0.04 0.00 0.14 0.00 0.00 62.40 62.92 1aj0 h SER 195 CO -0.40 0.14 0.45 0.45 -1.14 0.00 0.00 176.83 176.33 1aj0 h HIS 196 N 0.33 0.96 -0.35 3.45 3.86 -1.86 -1.29 115.15 120.25 1aj0 h HIS 196 Ca 0.18 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.37 1aj0 h HIS 196 Cb 0.15 -0.32 -0.02 0.00 1.06 0.00 0.00 27.41 28.29 1aj0 h HIS 196 CO -0.14 0.64 0.13 -0.91 0.86 0.00 0.00 177.93 178.52 1aj0 h ASN 197 N 1.00 0.49 1.11 2.45 2.35 -0.91 -1.60 115.58 120.47 1aj0 h ASN 197 Ca 0.26 -0.18 -0.03 0.00 -0.55 0.00 0.00 56.30 55.80 1aj0 h ASN 197 Cb -0.05 -0.13 -0.00 0.00 0.05 0.00 0.00 38.32 38.19 1aj0 h ASN 197 CO -0.05 0.53 -0.17 1.88 -1.65 0.00 0.00 177.43 177.98 1aj0 h TYR 198 N 0.42 0.00 -0.27 1.19 0.05 -1.18 -2.08 116.97 115.10 1aj0 h TYR 198 Ca 0.12 0.00 -0.16 0.00 0.05 0.00 0.00 58.73 58.73 1aj0 h TYR 198 Cb 0.20 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.94 1aj0 h TYR 198 CO -0.00 0.17 -0.48 0.77 -1.05 0.00 0.00 178.16 177.57 1aj0 h SER 199 N 0.00 0.89 -0.53 3.88 0.02 -0.93 -1.47 113.55 115.41 1aj0 h SER 199 Ca -0.00 -0.53 -0.04 0.00 -0.84 0.00 0.00 61.79 60.38 1aj0 h SER 199 Cb 0.76 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 63.03 1aj0 h SER 199 CO 0.02 1.25 0.17 -0.07 -1.14 0.00 0.00 176.83 177.06 1aj0 h LEU 200 N 0.56 0.77 -0.45 5.07 4.07 -0.88 -2.83 115.31 121.61 1aj0 h LEU 200 Ca 0.02 -0.20 -0.10 0.00 0.08 0.00 0.00 57.88 57.67 1aj0 h LEU 200 Cb 1.08 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 42.60 1aj0 h LEU 200 CO 0.11 0.77 -0.11 0.25 -1.08 0.00 0.00 178.44 178.37 1aj0 h LEU 201 N 0.73 0.88 -1.11 1.67 5.85 -1.41 -2.25 115.31 119.66 1aj0 h LEU 201 Ca 0.17 -0.36 0.05 0.00 0.84 0.00 0.00 57.88 58.58 1aj0 h LEU 201 Cb 0.27 -0.24 -0.06 0.00 0.37 0.00 0.00 40.66 41.01 1aj0 h LEU 201 CO -0.01 1.04 0.60 0.00 -0.34 0.00 0.00 178.44 179.74 1aj0 h ALA 202 N 0.87 1.46 -0.50 1.25 0.00 -1.20 -2.91 119.26 118.23 1aj0 h ALA 202 Ca 0.11 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1aj0 h ALA 202 Cb 0.66 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1aj0 h ALA 202 CO 0.05 0.43 0.00 0.54 0.00 0.00 0.00 179.25 180.26 1aj0 n ARG 203 N -4.47 4.09 -0.30 0.00 1.74 -1.08 -4.70 116.66 111.94 1aj0 n ARG 203 Ca 0.13 -2.99 0.07 0.00 -0.77 0.00 0.00 57.85 54.29 1aj0 n ARG 203 Cb 0.15 -2.05 0.22 0.00 -1.02 0.00 0.00 32.46 29.77 1aj0 n ARG 203 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 1aj0 h LEU 204 N 3.36 0.56 -2.02 0.55 5.85 -1.19 -0.72 115.31 121.71 1aj0 h LEU 204 Ca 0.00 0.09 0.13 0.00 0.84 0.00 0.00 57.88 58.94 1aj0 h LEU 204 Cb 1.69 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.70 1aj0 h LEU 204 CO 0.35 0.24 0.33 0.00 -0.34 0.00 0.00 178.44 179.03 1aj0 h ALA 205 N 1.55 2.38 0.00 1.25 0.00 -1.84 -1.63 119.26 120.97 1aj0 h ALA 205 Ca 0.46 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.36 1aj0 h ALA 205 Cb 0.64 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1aj0 h ALA 205 CO -0.35 -0.56 0.00 0.39 0.00 0.00 0.00 179.25 178.73 1aj0 n GLU 206 N -4.32 0.17 0.00 0.00 1.02 -0.27 -2.75 120.64 114.49 1aj0 n GLU 206 Ca 0.08 0.36 0.15 0.00 -0.02 0.00 0.00 57.16 57.72 1aj0 n GLU 206 Cb 0.53 -1.80 0.83 0.00 -0.02 0.00 0.00 31.44 30.98 1aj0 n GLU 206 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 1aj0 n PHE 207 N -2.12 0.00 0.57 -0.32 3.72 -0.61 -3.19 117.46 115.51 1aj0 n PHE 207 Ca 0.03 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.55 1aj0 n PHE 207 Cb 0.25 -0.08 0.45 0.00 -0.94 0.00 0.00 39.48 39.17 1aj0 n PHE 207 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 1aj0 n HIS 208 N -1.08 0.61 0.32 1.38 8.25 -1.11 -3.22 115.22 120.37 1aj0 n HIS 208 Ca 0.20 0.21 0.20 0.00 -0.26 0.00 0.00 57.72 58.07 1aj0 n HIS 208 Cb 0.14 -0.84 1.08 0.00 1.12 0.00 0.00 29.99 31.48 1aj0 n HIS 208 CO 0.00 0.00 0.00 1.12 0.64 0.00 0.00 176.34 178.10 1aj0 h HIS 209 N 0.00 0.00 0.00 4.41 2.07 -1.80 -0.56 115.15 119.27 1aj0 h HIS 209 Ca 0.00 0.00 -0.04 0.00 -2.85 0.00 0.00 60.37 57.48 1aj0 h HIS 209 Cb 0.48 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.46 1aj0 h HIS 209 CO 0.00 0.00 -0.17 0.74 -3.07 0.00 0.00 177.93 175.43 1aj0 h PHE 210 N 0.00 0.00 -4.65 6.12 0.04 -1.85 -3.47 116.94 113.13 1aj0 h PHE 210 Ca 0.01 0.00 -0.32 0.00 2.80 0.00 0.00 57.97 60.46 1aj0 h PHE 210 Cb 0.14 0.00 0.10 0.00 2.20 0.00 0.00 35.95 38.39 1aj0 h PHE 210 CO 0.00 0.17 -0.53 -1.71 -0.60 0.00 0.00 178.31 175.64 1aj0 n ASN 211 N -3.16 -5.47 -4.29 2.17 5.15 -0.22 -5.02 115.26 104.42 1aj0 n ASN 211 Ca 0.03 -0.39 -0.19 0.00 -0.60 0.00 0.00 54.58 53.42 1aj0 n ASN 211 Cb 0.57 -4.12 -0.11 0.00 -0.53 0.00 0.00 39.78 35.59 1aj0 n ASN 211 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1aj0 s LEU 212 N -5.94 2.43 0.59 1.20 1.43 -1.26 -5.08 118.68 112.05 1aj0 s LEU 212 Ca 0.43 -0.86 -0.20 0.00 -1.03 0.00 0.00 54.13 52.48 1aj0 s LEU 212 Cb -0.19 -0.67 -0.03 0.00 0.03 0.00 0.00 46.19 45.33 1aj0 s LEU 212 CO 0.53 -0.11 1.29 -2.84 0.23 0.00 0.00 176.35 175.45 1aj0 s PRO 213 N -2.84 2.91 -0.14 1.29 0.02 -1.26 -4.86 135.00 130.12 1aj0 s PRO 213 Ca 0.13 2.05 -0.00 0.00 0.02 0.00 0.00 61.00 63.19 1aj0 s PRO 213 Cb -0.05 -2.03 -0.01 0.00 0.02 0.00 0.00 34.50 32.44 1aj0 s PRO 213 CO 0.05 -1.32 -0.13 -0.51 -0.33 0.00 0.00 177.00 174.76 1aj0 s LEU 214 N -3.95 2.68 -0.05 -5.54 1.43 -1.26 -1.46 118.68 110.52 1aj0 s LEU 214 Ca 0.77 -0.36 0.03 0.00 -1.03 0.00 0.00 54.13 53.54 1aj0 s LEU 214 Cb -0.36 -1.61 -0.03 0.00 0.03 0.00 0.00 46.19 44.22 1aj0 s LEU 214 CO 0.40 0.14 -0.14 -0.22 0.23 0.00 0.00 176.35 176.76 1aj0 s LEU 215 N 0.51 2.74 0.05 1.79 0.20 0.22 -1.44 118.68 122.76 1aj0 s LEU 215 Ca -0.09 -0.20 0.01 0.00 0.69 0.00 0.00 54.13 54.55 1aj0 s LEU 215 Cb -0.16 -1.56 -0.03 0.00 -0.43 0.00 0.00 46.19 44.01 1aj0 s LEU 215 CO 0.04 0.34 -0.06 0.54 -0.29 0.00 0.00 176.35 176.92 1aj0 s VAL 216 N -0.67 0.46 -0.29 1.68 0.11 -0.79 -4.10 120.40 116.80 1aj0 s VAL 216 Ca 0.10 -1.33 0.00 0.00 -2.93 0.00 0.00 61.98 57.83 1aj0 s VAL 216 Cb -0.11 -0.90 0.14 0.00 -1.53 0.00 0.00 36.38 33.99 1aj0 s VAL 216 CO 0.01 -0.59 0.33 -0.83 -3.33 0.00 0.00 175.10 170.69 1aj0 s GLY 217 N -2.05 -0.28 0.00 6.54 0.00 -1.26 -1.04 107.32 109.23 1aj0 s GLY 217 Ca -0.04 -0.14 0.02 0.00 0.00 0.00 0.00 44.72 44.56 1aj0 s GLY 217 CO -0.02 2.78 0.26 1.03 0.00 0.00 0.00 173.10 177.15 1aj0 n MET 218 N 5.32 3.98 -1.63 2.90 2.81 -1.26 -4.43 117.12 124.81 1aj0 n MET 218 Ca -0.01 -0.22 -0.57 0.00 -1.81 0.00 0.00 57.70 55.10 1aj0 n MET 218 Cb 0.47 -0.75 -0.08 0.00 -0.71 0.00 0.00 33.22 32.15 1aj0 n MET 218 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1aj0 n SER 219 N -0.66 2.22 -1.25 7.83 2.88 -1.26 -1.53 113.62 121.86 1aj0 n SER 219 Ca 0.01 0.93 -0.13 0.00 -1.33 0.00 0.00 58.87 58.34 1aj0 n SER 219 Cb 0.05 -1.14 -0.06 0.00 -0.75 0.00 0.00 64.21 62.31 1aj0 n SER 219 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1aj0 n ARG 220 N 6.05 -1.43 -1.56 -1.46 1.74 -1.26 -4.91 116.66 113.83 1aj0 n ARG 220 Ca 0.31 0.84 -0.29 0.00 -0.77 0.00 0.00 57.85 57.94 1aj0 n ARG 220 Cb 0.13 -5.08 0.14 0.00 -1.02 0.00 0.00 32.46 26.63 1aj0 n ARG 220 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1aj0 s LYS 221 N -3.05 1.10 0.27 5.56 1.02 -0.58 -4.81 119.74 119.24 1aj0 s LYS 221 Ca 0.00 0.24 0.00 0.00 0.02 0.00 0.00 55.97 56.23 1aj0 s LYS 221 Cb 0.00 -1.84 0.52 0.00 -0.52 0.00 0.00 37.83 36.00 1aj0 s LYS 221 CO 0.00 -2.22 1.83 1.03 -0.92 0.00 0.00 175.35 175.07 1aj0 h SER 222 N -1.51 0.86 -0.32 2.83 0.87 -1.92 -1.16 113.55 113.20 1aj0 h SER 222 Ca -0.50 0.05 0.09 0.00 -1.23 0.00 0.00 61.79 60.21 1aj0 h SER 222 Cb 1.33 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 63.16 1aj0 h SER 222 CO 0.60 0.46 0.38 0.00 -0.53 0.00 0.00 176.83 177.74 1aj0 h MET 223 N 0.94 0.00 0.00 2.24 -0.00 -1.93 0.24 114.93 116.42 1aj0 h MET 223 Ca 0.48 0.00 -0.28 0.00 -0.00 0.00 0.00 59.70 59.90 1aj0 h MET 223 Cb 0.48 0.00 -0.04 0.00 -0.00 0.00 0.00 31.60 32.04 1aj0 h MET 223 CO -0.27 0.00 -1.62 -0.89 -0.00 0.00 0.00 176.91 174.13 1aj0 n ILE 224 N -3.64 1.52 -0.37 -0.10 5.41 -0.48 -3.83 119.36 117.87 1aj0 n ILE 224 Ca 0.05 -0.12 0.04 0.00 1.00 0.00 0.00 62.75 63.73 1aj0 n ILE 224 Cb 0.53 -2.04 0.20 0.00 -0.71 0.00 0.00 39.64 37.62 1aj0 n ILE 224 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 1aj0 h GLY 225 N -1.00 1.57 0.85 7.39 0.00 -0.94 -1.05 103.07 109.89 1aj0 h GLY 225 Ca -0.42 -0.45 -0.09 0.00 0.00 0.00 0.00 47.33 46.37 1aj0 h GLY 225 CO -0.25 0.26 -0.22 1.46 0.00 0.00 0.00 176.54 177.79 1aj0 h GLN 226 N 1.10 0.52 -0.18 4.80 4.20 -0.77 0.18 115.11 124.96 1aj0 h GLN 226 Ca 0.46 -0.28 -0.01 0.00 0.06 0.00 0.00 58.65 58.88 1aj0 h GLN 226 Cb 0.30 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.08 1aj0 h GLN 226 CO -0.21 0.87 0.09 1.25 -0.67 0.00 0.00 178.83 180.16 1aj0 h LEU 227 N 0.20 0.23 0.00 1.46 5.85 -1.57 -3.22 115.31 118.26 1aj0 h LEU 227 Ca 0.03 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.65 1aj0 h LEU 227 Cb 0.78 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.75 1aj0 h LEU 227 CO 0.05 0.27 -1.01 0.18 -0.34 0.00 0.00 178.44 177.60 1aj0 n LEU 228 N -4.89 0.62 -2.92 2.25 4.77 -0.43 -5.00 117.00 111.39 1aj0 n LEU 228 Ca -0.04 0.04 -0.12 0.00 -0.03 0.00 0.00 56.01 55.85 1aj0 n LEU 228 Cb 0.08 -0.10 0.06 0.00 -2.33 0.00 0.00 43.42 41.13 1aj0 n LEU 228 CO 0.34 0.01 0.04 -3.20 -1.33 0.00 0.00 177.39 173.26 1aj0 n ASN 229 N -2.04 -4.84 -4.25 -1.43 2.85 0.56 -5.05 115.26 101.07 1aj0 n ASN 229 Ca 0.02 -0.55 -0.15 0.00 -0.11 0.00 0.00 54.58 53.79 1aj0 n ASN 229 Cb 0.45 -4.28 -0.10 0.00 1.24 0.00 0.00 39.78 37.09 1aj0 n ASN 229 CO 0.00 0.00 0.00 0.68 -2.11 0.00 0.00 177.26 175.83 1aj0 s VAL 230 N -3.31 1.20 0.88 3.44 -7.23 -0.81 -5.04 120.40 109.53 1aj0 s VAL 230 Ca 0.28 -2.04 -0.12 0.00 -1.81 0.00 0.00 61.98 58.28 1aj0 s VAL 230 Cb -0.04 -1.83 0.12 0.00 0.56 0.00 0.00 36.38 35.19 1aj0 s VAL 230 CO 0.59 -0.72 1.14 -0.83 -0.31 0.00 0.00 175.10 174.97 1aj0 s GLY 231 N -3.13 1.58 0.43 2.32 0.00 -1.26 -4.63 107.32 102.64 1aj0 s GLY 231 Ca 0.16 -0.51 0.15 0.00 0.00 0.00 0.00 44.72 44.52 1aj0 s GLY 231 CO 0.01 0.02 1.95 -2.55 0.00 0.00 0.00 173.10 172.54 1aj0 h PRO 232 N -1.36 0.40 -0.07 2.90 0.11 -1.99 -2.47 132.00 129.52 1aj0 h PRO 232 Ca -0.49 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1aj0 h PRO 232 Cb 1.32 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1aj0 h PRO 232 CO 0.62 0.27 0.00 -1.13 -0.21 0.00 0.00 178.00 177.55 1aj0 n SER 233 N -4.47 1.42 -0.65 -2.05 3.41 -1.26 -3.80 113.62 106.21 1aj0 n SER 233 Ca 0.12 -1.55 0.05 0.00 -0.26 0.00 0.00 58.87 57.23 1aj0 n SER 233 Cb 0.44 -0.04 0.20 0.00 -0.26 0.00 0.00 64.21 64.54 1aj0 n SER 233 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1aj0 n GLU 234 N 0.12 1.76 -0.48 4.33 1.02 -0.93 -4.74 120.64 121.72 1aj0 n GLU 234 Ca 0.18 -3.02 0.08 0.00 -0.02 0.00 0.00 57.16 54.38 1aj0 n GLU 234 Cb 0.32 -1.67 0.27 0.00 -0.02 0.00 0.00 31.44 30.34 1aj0 n GLU 234 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1aj0 n ARG 235 N -1.12 3.32 0.04 3.49 1.74 -1.25 -4.73 116.66 118.15 1aj0 n ARG 235 Ca 0.22 -2.73 -0.12 0.00 -0.77 0.00 0.00 57.85 54.45 1aj0 n ARG 235 Cb 0.80 -1.79 -0.07 0.00 -1.02 0.00 0.00 32.46 30.38 1aj0 n ARG 235 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 1aj0 h LEU 236 N 2.55 -0.01 -0.94 0.55 5.85 -1.88 -0.34 115.31 121.09 1aj0 h LEU 236 Ca 0.00 -0.05 0.06 0.00 0.84 0.00 0.00 57.88 58.73 1aj0 h LEU 236 Cb 1.36 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 42.34 1aj0 h LEU 236 CO 0.21 0.04 0.60 0.28 -0.34 0.00 0.00 178.44 179.22 1aj0 h SER 237 N -0.06 0.96 -0.28 1.25 0.02 -2.00 0.18 113.55 113.62 1aj0 h SER 237 Ca -0.00 0.01 -0.12 0.00 -0.84 0.00 0.00 61.79 60.84 1aj0 h SER 237 Cb 0.06 -0.19 -0.00 0.00 0.14 0.00 0.00 62.40 62.40 1aj0 h SER 237 CO 0.00 0.62 -0.30 1.23 -1.14 0.00 0.00 176.83 177.24 1aj0 h GLY 238 N 1.10 0.75 0.79 -3.77 0.00 -1.87 -1.54 103.07 98.53 1aj0 h GLY 238 Ca 0.40 -0.79 0.03 0.00 0.00 0.00 0.00 47.33 46.97 1aj0 h GLY 238 CO -0.16 0.71 0.07 1.76 0.00 0.00 0.00 176.54 178.92 1aj0 h SER 239 N 0.43 0.07 -0.74 0.19 0.02 -0.53 -1.52 113.55 111.47 1aj0 h SER 239 Ca 0.04 0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 61.01 1aj0 h SER 239 Cb 0.88 0.02 -0.04 0.00 0.14 0.00 0.00 62.40 63.40 1aj0 h SER 239 CO 0.07 0.07 0.43 -0.07 -1.14 0.00 0.00 176.83 176.20 1aj0 h LEU 240 N 0.18 0.90 -0.75 5.07 3.38 -0.52 -1.09 115.31 122.48 1aj0 h LEU 240 Ca 0.11 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 1aj0 h LEU 240 Cb 0.08 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.57 1aj0 h LEU 240 CO -0.12 0.71 0.45 0.00 0.09 0.00 0.00 178.44 179.57 1aj0 h ALA 241 N 1.23 0.95 -0.37 1.53 0.00 -0.86 -1.44 119.26 120.31 1aj0 h ALA 241 Ca 0.26 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 1aj0 h ALA 241 Cb -0.01 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 1aj0 h ALA 241 CO -0.05 0.42 0.14 0.00 0.00 0.00 0.00 179.25 179.76 1aj0 h ALA 243 N 0.98 0.92 -0.18 0.00 0.00 -0.85 -1.80 119.26 118.33 1aj0 h ALA 243 Ca 0.12 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1aj0 h ALA 243 Cb 0.20 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1aj0 h ALA 243 CO -0.01 0.17 0.08 0.28 0.00 0.00 0.00 179.25 179.77 1aj0 h VAL 244 N 0.82 1.15 -0.81 0.00 2.07 -1.13 -0.20 116.25 118.15 1aj0 h VAL 244 Ca 0.29 -0.44 0.03 0.00 0.82 0.00 0.00 66.70 67.40 1aj0 h VAL 244 Cb 0.07 1.10 -0.05 0.00 -1.52 0.00 0.00 31.29 30.90 1aj0 h VAL 244 CO -0.13 0.14 0.51 0.40 0.02 0.00 0.00 177.57 178.52 1aj0 h ILE 245 N 0.15 1.12 0.00 4.57 2.04 -1.04 0.15 117.51 124.50 1aj0 h ILE 245 Ca 0.06 -0.34 -0.00 0.00 1.00 0.00 0.00 64.86 65.58 1aj0 h ILE 245 Cb 0.15 0.03 0.00 0.00 -0.74 0.00 0.00 36.82 36.27 1aj0 h ILE 245 CO -0.01 0.18 -0.00 0.00 0.00 0.00 0.00 178.15 178.32 1aj0 h ALA 246 N 1.34 -0.00 -0.62 1.87 0.00 -1.09 -2.76 119.26 117.99 1aj0 h ALA 246 Ca 0.32 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 55.07 1aj0 h ALA 246 Cb 0.03 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1aj0 h ALA 246 CO -0.12 -0.33 0.40 0.00 0.00 0.00 0.00 179.25 179.20 1aj0 h ALA 247 N 0.64 0.79 -0.14 0.00 0.00 -0.91 -0.31 119.26 119.33 1aj0 h ALA 247 Ca -0.00 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.92 1aj0 h ALA 247 Cb 0.35 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1aj0 h ALA 247 CO 0.00 0.19 0.15 0.52 0.00 0.00 0.00 179.25 180.11 1aj0 h MET 248 N 0.81 0.00 -0.42 0.00 2.07 -0.68 0.78 114.93 117.49 1aj0 h MET 248 Ca 0.23 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.86 1aj0 h MET 248 Cb -0.06 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 29.67 1aj0 h MET 248 CO -0.07 0.00 0.00 1.04 1.07 0.00 0.00 176.91 178.95 1aj0 n GLN 249 N -3.92 2.11 -0.67 1.72 6.02 -0.18 -1.38 117.38 121.08 1aj0 n GLN 249 Ca 0.01 -1.71 0.00 0.00 -0.01 0.00 0.00 57.00 55.29 1aj0 n GLN 249 Cb 0.26 -1.40 0.00 0.00 1.02 0.00 0.00 30.24 30.12 1aj0 n GLN 249 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1aj0 n GLY 250 N 1.28 0.60 3.76 1.08 0.00 0.27 -4.38 105.19 107.80 1aj0 n GLY 250 Ca 0.17 -0.71 -0.39 0.00 0.00 0.00 0.00 46.02 45.09 1aj0 n GLY 250 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aj0 s ALA 251 N -2.00 3.00 -0.16 4.61 0.00 -0.91 -4.87 121.76 121.43 1aj0 s ALA 251 Ca 0.00 1.31 0.18 0.00 0.00 0.00 0.00 51.96 53.45 1aj0 s ALA 251 Cb 0.00 -3.54 -0.25 0.00 0.00 0.00 0.00 23.12 19.32 1aj0 s ALA 251 CO 0.00 -1.18 0.22 0.72 0.00 0.00 0.00 175.76 175.52 1aj0 n HIS 252 N -0.62 0.16 -4.34 0.00 8.25 -0.52 -4.65 115.22 113.50 1aj0 n HIS 252 Ca 0.08 0.05 -0.21 0.00 -0.26 0.00 0.00 57.72 57.38 1aj0 n HIS 252 Cb 0.44 -0.96 -0.16 0.00 1.12 0.00 0.00 29.99 30.43 1aj0 n HIS 252 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1aj0 s ILE 253 N -2.65 0.75 -0.21 1.59 1.01 -1.02 -0.93 121.20 119.73 1aj0 s ILE 253 Ca -0.09 -0.29 -0.00 0.00 0.00 0.00 0.00 60.65 60.27 1aj0 s ILE 253 Cb 0.07 -0.70 0.02 0.00 0.01 0.00 0.00 42.46 41.86 1aj0 s ILE 253 CO 0.84 0.26 -0.13 -0.63 0.00 0.00 0.00 174.94 175.27 1aj0 s ILE 254 N 0.56 2.46 -0.18 2.92 -1.09 -0.66 -1.88 121.20 123.33 1aj0 s ILE 254 Ca -0.09 -1.00 -0.22 0.00 -2.23 0.00 0.00 60.65 57.11 1aj0 s ILE 254 Cb -0.12 -2.16 -0.02 0.00 -1.58 0.00 0.00 42.46 38.57 1aj0 s ILE 254 CO 0.01 0.35 0.66 -0.60 -1.23 0.00 0.00 174.94 174.13 1aj0 s ARG 255 N 1.30 4.25 0.21 2.79 3.52 -0.20 -0.39 118.95 130.43 1aj0 s ARG 255 Ca 0.02 0.69 -0.07 0.00 -0.13 0.00 0.00 55.73 56.23 1aj0 s ARG 255 Cb -0.15 -3.56 -0.02 0.00 -1.56 0.00 0.00 34.95 29.66 1aj0 s ARG 255 CO -0.08 -0.22 0.30 0.14 -0.81 0.00 0.00 175.30 174.63 1aj0 s VAL 256 N 1.82 0.01 -0.22 7.11 -7.23 0.04 -4.09 120.40 117.84 1aj0 s VAL 256 Ca 0.31 -1.65 0.12 0.00 -1.81 0.00 0.00 61.98 58.94 1aj0 s VAL 256 Cb -0.16 -2.26 -0.22 0.00 0.56 0.00 0.00 36.38 34.30 1aj0 s VAL 256 CO 0.11 -0.05 -0.05 1.41 -0.31 0.00 0.00 175.10 176.21 1aj0 n HIS 257 N -0.31 0.00 -3.33 2.82 8.25 -1.26 -2.56 115.22 118.83 1aj0 n HIS 257 Ca -0.01 0.00 -0.46 0.00 -0.26 0.00 0.00 57.72 56.99 1aj0 n HIS 257 Cb 0.64 -1.00 -0.01 0.00 1.12 0.00 0.00 29.99 30.74 1aj0 n HIS 257 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1aj0 s ASP 258 N -5.89 7.05 0.04 0.41 1.01 -1.26 -4.89 116.67 113.14 1aj0 s ASP 258 Ca -0.20 -3.15 -0.26 0.00 0.71 0.00 0.00 52.55 49.66 1aj0 s ASP 258 Cb 0.07 -2.21 -0.17 0.00 1.01 0.00 0.00 42.92 41.62 1aj0 s ASP 258 CO 0.74 -0.43 1.49 0.58 0.21 0.00 0.00 175.17 177.75 1aj0 h VAL 259 N 4.23 0.87 -0.24 -1.27 2.07 -1.96 -2.88 116.25 117.07 1aj0 h VAL 259 Ca 0.15 -0.38 0.06 0.00 0.82 0.00 0.00 66.70 67.34 1aj0 h VAL 259 Cb 0.96 1.09 -0.07 0.00 -1.52 0.00 0.00 31.29 31.75 1aj0 h VAL 259 CO 0.89 0.09 -0.34 0.50 0.02 0.00 0.00 177.57 178.72 1aj0 h LYS 260 N -0.46 -0.35 -0.73 1.57 3.64 -1.91 -1.24 116.57 117.09 1aj0 h LYS 260 Ca -0.03 0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.40 1aj0 h LYS 260 Cb 0.35 0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 32.21 1aj0 h LYS 260 CO 0.05 -0.23 0.47 0.93 -2.27 0.00 0.00 179.45 178.39 1aj0 h GLU 261 N -0.36 0.90 -0.53 1.90 3.07 -1.92 -2.25 114.58 115.39 1aj0 h GLU 261 Ca 0.12 -0.05 -0.09 0.00 -0.50 0.00 0.00 59.36 58.84 1aj0 h GLU 261 Cb 0.56 -0.20 -0.02 0.00 -0.84 0.00 0.00 28.75 28.25 1aj0 h GLU 261 CO -0.43 0.60 -0.02 1.15 -1.40 0.00 0.00 179.01 178.91 1aj0 h THR 262 N 0.93 1.26 -0.52 1.13 2.02 -1.25 -1.95 112.91 114.53 1aj0 h THR 262 Ca 0.28 -1.13 0.02 0.00 0.77 0.00 0.00 66.41 66.35 1aj0 h THR 262 Cb -0.03 0.94 -0.03 0.00 -1.74 0.00 0.00 68.15 67.29 1aj0 h THR 262 CO -0.09 0.40 0.33 0.58 0.37 0.00 0.00 175.52 177.11 1aj0 h VAL 263 N 0.82 1.09 -0.05 3.16 2.07 -1.04 0.31 116.25 122.61 1aj0 h VAL 263 Ca 0.15 -0.23 0.01 0.00 0.82 0.00 0.00 66.70 67.45 1aj0 h VAL 263 Cb 0.55 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 1aj0 h VAL 263 CO 0.03 0.12 -0.01 -0.33 0.02 0.00 0.00 177.57 177.40 1aj0 h GLU 264 N 0.66 0.00 -0.93 1.57 5.08 -1.19 0.11 114.58 119.88 1aj0 h GLU 264 Ca 0.20 -0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.63 1aj0 h GLU 264 Cb -0.03 -0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.16 1aj0 h GLU 264 CO -0.07 0.00 0.59 0.00 -1.00 0.00 0.00 179.01 178.53 1aj0 h ALA 265 N 1.05 1.28 -0.13 3.43 0.00 -1.10 -1.90 119.26 121.89 1aj0 h ALA 265 Ca 0.02 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 1aj0 h ALA 265 Cb 0.03 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1aj0 h ALA 265 CO -0.05 0.35 -0.32 0.52 0.00 0.00 0.00 179.25 179.75 1aj0 h MET 266 N 1.06 0.25 -0.29 0.00 2.86 0.56 -1.97 114.93 117.41 1aj0 h MET 266 Ca 0.40 -0.10 -0.05 0.00 -2.06 0.00 0.00 59.70 57.90 1aj0 h MET 266 Cb 0.18 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.81 1aj0 h MET 266 CO -0.18 0.55 -0.03 0.00 1.06 0.00 0.00 176.91 178.31 1aj0 h ARG 267 N 0.22 0.44 -0.15 1.72 3.08 -0.23 0.11 114.38 119.58 1aj0 h ARG 267 Ca 0.03 -0.09 -0.12 0.00 0.07 0.00 0.00 59.98 59.87 1aj0 h ARG 267 Cb 0.68 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.67 1aj0 h ARG 267 CO 0.05 0.50 -0.37 0.28 -1.07 0.00 0.00 179.97 179.35 1aj0 h VAL 268 N 0.43 1.35 -0.78 2.04 2.07 -0.93 -2.39 116.25 118.04 1aj0 h VAL 268 Ca 0.09 -1.64 0.02 0.00 0.82 0.00 0.00 66.70 65.98 1aj0 h VAL 268 Cb 0.33 2.01 -0.04 0.00 -1.52 0.00 0.00 31.29 32.07 1aj0 h VAL 268 CO 0.01 0.50 0.51 0.58 0.02 0.00 0.00 177.57 179.19 1aj0 h VAL 269 N 0.15 1.17 -0.85 2.57 2.07 -0.73 -2.36 116.25 118.28 1aj0 h VAL 269 Ca -0.00 -0.35 -0.02 0.00 0.82 0.00 0.00 66.70 67.14 1aj0 h VAL 269 Cb 0.98 0.05 -0.04 0.00 -1.52 0.00 0.00 31.29 30.76 1aj0 h VAL 269 CO 0.08 0.19 0.46 -0.33 0.02 0.00 0.00 177.57 177.99 1aj0 h GLU 270 N 1.03 1.19 -0.82 1.57 5.08 -0.73 0.23 114.58 122.13 1aj0 h GLU 270 Ca 0.30 -0.14 -0.00 0.00 -1.00 0.00 0.00 59.36 58.51 1aj0 h GLU 270 Cb -0.08 -0.23 -0.04 0.00 0.50 0.00 0.00 28.75 28.90 1aj0 h GLU 270 CO -0.08 0.87 0.50 0.00 -1.00 0.00 0.00 179.01 179.31 1aj0 h ALA 271 N 1.25 1.04 0.17 3.43 0.00 -1.06 -1.36 119.26 122.72 1aj0 h ALA 271 Ca 0.30 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 1aj0 h ALA 271 Cb 0.04 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.50 1aj0 h ALA 271 CO -0.05 0.49 -0.08 1.15 0.00 0.00 0.00 179.25 180.76 1aj0 h THR 272 N 1.12 0.95 -0.11 0.00 2.02 -1.08 -3.16 112.91 112.65 1aj0 h THR 272 Ca 0.29 -0.74 -0.01 0.00 0.77 0.00 0.00 66.41 66.72 1aj0 h THR 272 Cb -0.06 1.39 -0.01 0.00 -1.74 0.00 0.00 68.15 67.73 1aj0 h THR 272 CO -0.06 0.17 0.02 -0.07 0.37 0.00 0.00 175.52 175.95 1aj0 h LEU 273 N -0.60 0.13 -0.89 2.58 3.38 -0.88 -1.37 115.31 117.66 1aj0 h LEU 273 Ca -0.02 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1aj0 h LEU 273 Cb 0.45 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1aj0 h LEU 273 CO 0.04 0.15 0.00 0.77 0.09 0.00 0.00 178.44 179.49 1aj0 h SER 274 N 0.15 0.00 0.07 -0.43 4.64 -1.25 -1.96 113.55 114.78 1aj0 h SER 274 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1aj0 h SER 274 Cb 0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 1aj0 h SER 274 CO -0.00 0.00 -0.37 0.00 -0.87 0.00 0.00 176.83 175.59 1aj0 n ALA 275 N -1.99 3.33 -2.56 5.18 0.00 -0.56 -4.87 120.51 119.04 1aj0 n ALA 275 Ca 0.02 -0.56 -0.43 0.00 0.00 0.00 0.00 53.44 52.48 1aj0 n ALA 275 Cb 0.34 -0.92 -0.06 0.00 0.00 0.00 0.00 19.45 18.81 1aj0 n ALA 275 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1aj0 s LYS 276 N -2.46 3.53 0.21 0.00 2.47 -0.74 -4.96 119.74 117.80 1aj0 s LYS 276 Ca 0.21 0.01 0.04 0.00 -1.56 0.00 0.00 55.97 54.68 1aj0 s LYS 276 Cb 0.19 -3.89 0.60 0.00 -1.46 0.00 0.00 37.83 33.27 1aj0 s LYS 276 CO 0.54 -0.98 1.03 0.39 0.16 0.00 0.00 175.35 176.49 1aj0 n GLU 277 N 6.50 -0.05 -0.29 4.03 4.71 -1.26 -0.68 120.64 133.61 1aj0 n GLU 277 Ca 0.02 0.97 0.09 0.00 -0.01 0.00 0.00 57.16 58.22 1aj0 n GLU 277 Cb 0.48 -1.58 0.20 0.00 -1.01 0.00 0.00 31.44 29.53 1aj0 n GLU 277 CO 0.00 0.00 0.00 0.27 0.09 0.00 0.00 177.13 177.49 1aj0 n ASN 278 N -4.77 3.02 -4.03 1.62 2.04 -1.26 -5.03 115.26 106.84 1aj0 n ASN 278 Ca 0.18 -3.12 -0.33 0.00 -0.44 0.00 0.00 54.58 50.88 1aj0 n ASN 278 Cb 0.59 -0.49 0.01 0.00 -2.53 0.00 0.00 39.78 37.36 1aj0 n ASN 278 CO 0.00 0.00 0.00 0.29 -0.44 0.00 0.00 177.26 177.11 1aj0 n LYS 279 N -1.01 -4.68 0.00 -3.83 4.01 0.15 -4.94 118.16 107.87 1aj0 n LYS 279 Ca 0.19 0.52 0.00 0.00 -0.51 0.00 0.00 58.31 58.51 1aj0 n LYS 279 Cb 0.77 -5.36 0.00 0.00 -0.51 0.00 0.00 35.03 29.94 1aj0 n LYS 279 CO 0.00 0.00 0.00 -2.13 -1.11 0.00 0.00 177.40 174.16 1aj0 n ARG 280 N -4.58 0.00 -4.05 1.97 0.63 -1.26 -4.82 116.66 104.55 1aj0 n ARG 280 Ca 0.06 0.00 -0.35 0.00 -0.92 0.00 0.00 57.85 56.64 1aj0 n ARG 280 Cb 0.51 0.00 -0.07 0.00 0.45 0.00 0.00 32.46 33.35 1aj0 n ARG 280 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 1aj0 s TYR 281 N -1.59 3.42 0.00 -0.14 1.51 -0.48 -5.04 117.35 115.03 1aj0 s TYR 281 Ca 0.00 0.36 0.00 0.00 -1.01 0.00 0.00 57.07 56.42 1aj0 s TYR 281 Cb 0.00 -1.85 0.00 0.00 -0.11 0.00 0.00 41.96 40.00 1aj0 s TYR 281 CO 0.00 0.62 0.00 0.39 -1.11 0.00 0.00 175.55 175.45