#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1agj s VAL 2 N 0.00 3.83 0.50 3.84 -7.23 -1.26 -5.02 120.40 115.06 1agj s VAL 2 Ca 0.00 0.83 -0.18 0.00 -1.81 0.00 0.00 61.98 60.82 1agj s VAL 2 Cb 0.00 -3.38 -0.08 0.00 0.56 0.00 0.00 36.38 33.48 1agj s VAL 2 CO 0.00 -0.55 0.99 -0.94 -0.31 0.00 0.00 175.10 174.28 1agj s SER 3 N -2.93 6.60 0.35 4.85 1.04 -1.26 -4.93 113.70 117.42 1agj s SER 3 Ca 0.63 1.66 0.05 0.00 0.48 0.00 0.00 55.95 58.77 1agj s SER 3 Cb -0.16 -2.52 0.70 0.00 0.10 0.00 0.00 66.02 64.14 1agj s SER 3 CO 0.40 -0.60 1.94 0.00 0.98 0.00 0.00 173.24 175.95 1agj h ALA 4 N 1.20 1.68 -0.75 5.32 0.00 -1.99 -1.35 119.26 123.36 1agj h ALA 4 Ca -0.48 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.43 1agj h ALA 4 Cb 1.19 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.74 1agj h ALA 4 CO 0.61 0.19 0.49 0.93 0.00 0.00 0.00 179.25 181.47 1agj h GLU 5 N 0.81 0.96 -0.37 0.00 4.39 -1.98 0.18 114.58 118.57 1agj h GLU 5 Ca 0.35 -0.06 -0.09 0.00 0.34 0.00 0.00 59.36 59.90 1agj h GLU 5 Cb 0.30 -0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 28.72 1agj h GLU 5 CO -0.12 0.64 -0.10 1.49 -1.16 0.00 0.00 179.01 179.75 1agj h GLU 6 N 0.99 0.73 -0.58 2.33 4.81 -1.66 -0.50 114.58 120.70 1agj h GLU 6 Ca 0.28 -0.28 -0.02 0.00 -0.13 0.00 0.00 59.36 59.20 1agj h GLU 6 Cb -0.08 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.23 1agj h GLU 6 CO -0.07 0.88 0.27 0.82 -0.73 0.00 0.00 179.01 180.18 1agj h ILE 7 N 0.53 1.21 -0.61 2.32 1.08 -0.97 -0.41 117.51 120.66 1agj h ILE 7 Ca 0.09 -0.62 -0.06 0.00 -0.39 0.00 0.00 64.86 63.88 1agj h ILE 7 Cb 0.62 0.54 -0.03 0.00 -3.07 0.00 0.00 36.82 34.88 1agj h ILE 7 CO 0.04 0.25 0.12 0.50 -0.69 0.00 0.00 178.15 178.37 1agj h LYS 8 N 0.80 0.97 -0.22 2.37 3.64 -0.48 -0.78 116.57 122.87 1agj h LYS 8 Ca 0.20 -0.23 -0.11 0.00 -1.27 0.00 0.00 60.65 59.24 1agj h LYS 8 Cb 0.14 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 1agj h LYS 8 CO -0.02 0.88 -0.34 -0.22 -2.27 0.00 0.00 179.45 177.48 1agj h LYS 9 N 0.92 0.46 -0.19 1.90 3.11 -0.74 -2.23 116.57 119.81 1agj h LYS 9 Ca 0.19 -0.21 -0.04 0.00 -2.81 0.00 0.00 60.65 57.79 1agj h LYS 9 Cb 0.37 -0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 31.58 1agj h LYS 9 CO 0.00 0.75 -0.04 1.25 -2.81 0.00 0.00 179.45 178.60 1agj h HIS 10 N 0.40 0.40 -0.77 1.91 2.76 -0.46 -1.79 115.15 117.60 1agj h HIS 10 Ca 0.05 -0.09 0.05 0.00 -2.20 0.00 0.00 60.37 58.18 1agj h HIS 10 Cb 0.79 -0.10 -0.05 0.00 1.55 0.00 0.00 27.41 29.60 1agj h HIS 10 CO 0.03 0.61 0.50 0.93 -1.30 0.00 0.00 177.93 178.70 1agj h GLU 11 N 0.08 0.85 0.34 5.26 5.08 -1.05 0.19 114.58 125.33 1agj h GLU 11 Ca 0.05 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1agj h GLU 11 Cb 0.48 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.54 1agj h GLU 11 CO 0.02 0.56 -0.16 0.93 -1.00 0.00 0.00 179.01 179.35 1agj h GLU 12 N 0.87 -0.44 -0.12 2.33 5.08 -1.20 -0.64 114.58 120.45 1agj h GLU 12 Ca 0.32 0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.72 1agj h GLU 12 Cb 0.16 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 1agj h GLU 12 CO -0.10 -0.18 0.04 0.87 -1.00 0.00 0.00 179.01 178.64 1agj h LYS 13 N -0.66 0.10 -0.77 2.33 1.79 -0.82 -2.74 116.57 115.80 1agj h LYS 13 Ca -0.05 -0.01 0.04 0.00 -2.18 0.00 0.00 60.65 58.46 1agj h LYS 13 Cb 0.47 -0.02 -0.05 0.00 -1.58 0.00 0.00 32.23 31.04 1agj h LYS 13 CO 0.08 0.06 0.47 2.35 -1.08 0.00 0.00 179.45 181.34 1agj h TRP 14 N 0.10 0.88 0.00 -1.35 2.91 -0.65 -1.50 115.95 116.34 1agj h TRP 14 Ca 0.05 0.03 -0.00 0.00 1.13 0.00 0.00 58.89 60.09 1agj h TRP 14 Cb 0.03 -0.29 -0.00 0.00 -0.51 0.00 0.00 29.16 28.39 1agj h TRP 14 CO -0.11 0.48 -0.02 -0.97 -1.03 0.00 0.00 178.44 176.79 1agj h ASN 15 N 0.90 0.00 0.07 2.65 -0.73 -0.84 -0.81 115.58 116.83 1agj h ASN 15 Ca 0.32 0.00 -0.01 0.00 1.87 0.00 0.00 56.30 58.48 1agj h ASN 15 Cb 0.08 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 38.67 1agj h ASN 15 CO -0.14 0.02 -0.04 0.11 -0.37 0.00 0.00 177.43 177.01 1agj h LYS 16 N 0.00 0.00 0.00 6.67 1.57 -0.99 0.61 116.57 124.44 1agj h LYS 16 Ca -0.00 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.53 1agj h LYS 16 Cb 0.08 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.35 1agj h LYS 16 CO 0.00 0.04 -2.01 0.66 -0.57 0.00 0.00 179.45 177.58 1agj n TYR 17 N -4.09 0.00 0.03 -1.35 4.02 -0.39 -4.68 117.16 110.71 1agj n TYR 17 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.87 1agj n TYR 17 Cb 0.13 -0.71 0.00 0.00 -0.02 0.00 0.00 39.34 38.74 1agj n TYR 17 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 1agj n TYR 18 N -2.51 0.00 0.41 -0.72 4.01 -0.74 -4.59 117.16 113.02 1agj n TYR 18 Ca -0.22 0.00 0.13 0.00 -0.16 0.00 0.00 57.90 57.65 1agj n TYR 18 Cb 0.94 0.00 0.48 0.00 -0.31 0.00 0.00 39.34 40.44 1agj n TYR 18 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1agj h GLY 19 N 0.14 0.00 -2.06 2.72 0.00 0.05 -3.45 103.07 100.46 1agj h GLY 19 Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 47.33 46.87 1agj h GLY 19 CO 0.00 0.00 -0.61 -1.34 0.00 0.00 0.00 176.54 174.59 1agj s VAL 20 N -3.32 1.12 0.30 4.60 -7.23 -1.26 -5.06 120.40 109.55 1agj s VAL 20 Ca 0.06 -2.00 -0.29 0.00 -1.81 0.00 0.00 61.98 57.93 1agj s VAL 20 Cb 0.10 -2.78 -0.10 0.00 0.56 0.00 0.00 36.38 34.15 1agj s VAL 20 CO 0.50 0.00 1.37 0.21 -0.31 0.00 0.00 175.10 176.88 1agj s ASN 21 N -3.47 6.69 0.26 4.85 2.47 -1.26 -4.90 114.94 119.57 1agj s ASN 21 Ca 0.37 2.71 -0.02 0.00 0.42 0.00 0.00 52.86 56.34 1agj s ASN 21 Cb 0.09 -2.64 0.54 0.00 -1.45 0.00 0.00 41.25 37.79 1agj s ASN 21 CO 0.15 -0.63 1.72 0.00 -3.72 0.00 0.00 177.10 174.62 1agj h ALA 22 N 4.00 1.17 0.00 1.71 0.00 -1.96 0.29 119.26 124.47 1agj h ALA 22 Ca -0.48 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 1agj h ALA 22 Cb 1.22 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 19.12 1agj h ALA 22 CO 0.70 -0.25 -0.02 0.74 0.00 0.00 0.00 179.25 180.42 1agj h PHE 23 N 0.43 0.00 -0.71 0.00 0.04 -2.00 -1.90 116.94 112.80 1agj h PHE 23 Ca 0.46 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.23 1agj h PHE 23 Cb 0.76 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.91 1agj h PHE 23 CO -0.16 0.02 0.00 0.09 -0.60 0.00 0.00 178.31 177.66 1agj n ASN 24 N -3.38 3.93 -4.79 2.17 4.13 0.10 -4.97 115.26 112.46 1agj n ASN 24 Ca -0.02 -2.05 -0.35 0.00 1.68 0.00 0.00 54.58 53.83 1agj n ASN 24 Cb 0.13 -0.49 -0.03 0.00 -1.54 0.00 0.00 39.78 37.85 1agj n ASN 24 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1agj s LEU 25 N -1.10 3.91 0.25 3.41 1.43 -0.72 -4.89 118.68 120.98 1agj s LEU 25 Ca 0.48 2.00 -0.30 0.00 -1.03 0.00 0.00 54.13 55.28 1agj s LEU 25 Cb 0.26 -4.46 -0.11 0.00 0.03 0.00 0.00 46.19 41.92 1agj s LEU 25 CO 0.32 -0.77 1.54 -2.84 0.23 0.00 0.00 176.35 174.83 1agj s PRO 26 N -3.03 4.19 0.41 1.29 0.02 -1.26 -4.81 135.00 131.80 1agj s PRO 26 Ca 0.65 2.44 0.20 0.00 0.02 0.00 0.00 61.00 64.32 1agj s PRO 26 Cb -0.19 -3.08 1.15 0.00 0.02 0.00 0.00 34.50 32.40 1agj s PRO 26 CO 0.23 -0.56 1.77 0.87 -0.33 0.00 0.00 177.00 178.99 1agj h LYS 27 N 5.37 0.34 0.00 5.54 1.79 -1.94 0.46 116.57 128.13 1agj h LYS 27 Ca -0.46 -0.02 -0.01 0.00 -2.18 0.00 0.00 60.65 57.98 1agj h LYS 27 Cb 1.22 -0.08 -0.00 0.00 -1.58 0.00 0.00 32.23 31.79 1agj h LYS 27 CO 0.82 0.23 -0.06 1.05 -1.08 0.00 0.00 179.45 180.40 1agj h GLU 28 N 0.35 0.00 0.06 3.15 9.09 -1.99 -3.04 114.58 122.20 1agj h GLU 28 Ca 0.59 0.00 -0.35 0.00 0.05 0.00 0.00 59.36 59.66 1agj h GLU 28 Cb 1.58 0.00 -0.04 0.00 -1.65 0.00 0.00 28.75 28.64 1agj h GLU 28 CO -0.27 0.06 -2.00 1.28 0.05 0.00 0.00 179.01 178.13 1agj n LEU 29 N -3.33 1.93 -3.67 3.06 4.77 0.15 -4.36 117.00 115.56 1agj n LEU 29 Ca -0.01 0.21 -0.08 0.00 -0.03 0.00 0.00 56.01 56.10 1agj n LEU 29 Cb 0.23 -0.57 -0.09 0.00 -2.33 0.00 0.00 43.42 40.67 1agj n LEU 29 CO 0.27 0.69 0.17 0.12 -1.33 0.00 0.00 177.39 177.32 1agj s PHE 30 N -2.56 -0.87 0.03 -1.77 5.36 -0.86 -1.06 117.98 116.25 1agj s PHE 30 Ca -0.17 1.72 -0.23 0.00 -0.96 0.00 0.00 56.93 57.29 1agj s PHE 30 Cb 0.07 0.46 0.05 0.00 -0.34 0.00 0.00 43.02 43.26 1agj s PHE 30 CO 0.77 -0.46 0.53 -1.54 -1.46 0.00 0.00 175.22 173.06 1agj s SER 31 N 1.83 -0.45 0.34 6.13 1.04 -0.68 -4.16 113.70 117.74 1agj s SER 31 Ca -0.08 0.24 -0.27 0.00 0.48 0.00 0.00 55.95 56.32 1agj s SER 31 Cb -0.08 0.49 -0.09 0.00 0.10 0.00 0.00 66.02 66.43 1agj s SER 31 CO -0.16 -0.69 1.08 -0.75 0.98 0.00 0.00 173.24 173.70 1agj s LYS 32 N -2.23 4.38 -0.00 4.02 2.20 -1.26 -0.68 119.74 126.17 1agj s LYS 32 Ca -0.06 1.69 -0.29 0.00 -0.36 0.00 0.00 55.97 56.94 1agj s LYS 32 Cb -0.01 -2.87 -0.03 0.00 -1.51 0.00 0.00 37.83 33.41 1agj s LYS 32 CO 0.00 0.01 0.92 0.08 -0.36 0.00 0.00 175.35 176.00 1agj s VAL 33 N -1.39 4.87 0.76 4.02 1.01 -0.25 -4.85 120.40 124.58 1agj s VAL 33 Ca 0.51 1.93 -0.15 0.00 0.00 0.00 0.00 61.98 64.28 1agj s VAL 33 Cb -0.28 -4.26 0.05 0.00 0.00 0.00 0.00 36.38 31.89 1agj s VAL 33 CO 0.35 0.19 1.17 -0.67 0.00 0.00 0.00 175.10 176.14 1agj n ASP 34 N 3.76 1.08 -0.23 3.32 -0.08 -1.26 -4.79 116.55 118.36 1agj n ASP 34 Ca 0.04 0.64 -0.00 0.00 -1.51 0.00 0.00 54.79 53.96 1agj n ASP 34 Cb 0.51 -1.50 0.11 0.00 2.34 0.00 0.00 41.12 42.59 1agj n ASP 34 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 1agj h GLU 35 N -0.52 0.61 -0.48 -0.67 5.08 -2.00 -1.50 114.58 115.10 1agj h GLU 35 Ca -0.47 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 57.80 1agj h GLU 35 Cb 1.31 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 30.41 1agj h GLU 35 CO 0.47 0.40 0.11 1.57 -1.00 0.00 0.00 179.01 180.57 1agj h LYS 36 N 0.63 0.78 -0.14 2.33 5.09 -2.01 -3.13 116.57 120.12 1agj h LYS 36 Ca 0.32 -0.19 -0.08 0.00 0.09 0.00 0.00 60.65 60.79 1agj h LYS 36 Cb 0.27 -0.10 -0.01 0.00 0.10 0.00 0.00 32.23 32.49 1agj h LYS 36 CO -0.22 0.76 -0.26 -0.44 -2.09 0.00 0.00 179.45 177.20 1agj h ASP 37 N 0.66 0.24 0.38 7.07 3.32 -1.76 -2.97 116.42 123.36 1agj h ASP 37 Ca 0.15 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.13 1agj h ASP 37 Cb 0.34 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.82 1agj h ASP 37 CO 0.00 0.51 0.00 0.03 -1.72 0.00 0.00 179.24 178.06 1agj h ARG 38 N 0.22 0.00 -0.58 3.56 3.08 -1.23 -1.55 114.38 117.89 1agj h ARG 38 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.09 1agj h ARG 38 Cb 0.58 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.63 1agj h ARG 38 CO 0.04 0.00 0.00 1.04 -1.07 0.00 0.00 179.97 179.98 1agj n GLN 39 N -2.30 2.65 -4.45 0.04 1.13 -1.12 -3.57 117.38 109.76 1agj n GLN 39 Ca 0.00 -2.44 -0.23 0.00 -1.94 0.00 0.00 57.00 52.39 1agj n GLN 39 Cb 0.14 -1.50 -0.10 0.00 0.11 0.00 0.00 30.24 28.89 1agj n GLN 39 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 1agj s LYS 40 N -1.10 1.61 0.34 -1.09 1.02 -0.58 -4.87 119.74 115.07 1agj s LYS 40 Ca 0.42 -1.77 -0.27 0.00 0.02 0.00 0.00 55.97 54.36 1agj s LYS 40 Cb 0.22 -1.48 -0.09 0.00 -0.52 0.00 0.00 37.83 35.96 1agj s LYS 40 CO 0.30 0.19 1.12 -0.47 -0.92 0.00 0.00 175.35 175.57 1agj s TYR 41 N -2.74 3.33 -1.86 3.18 6.14 -1.26 -1.33 117.35 122.81 1agj s TYR 41 Ca 0.29 1.63 0.26 0.00 0.64 0.00 0.00 57.07 59.89 1agj s TYR 41 Cb -0.01 -3.30 0.70 0.00 0.42 0.00 0.00 41.96 39.77 1agj s TYR 41 CO 0.13 -0.86 1.53 -0.35 0.64 0.00 0.00 175.55 176.64 1agj n PRO 42 N 0.56 0.97 -0.30 4.97 -0.04 -1.26 -4.89 135.00 135.01 1agj n PRO 42 Ca 0.02 -0.60 0.11 0.00 -0.04 0.00 0.00 63.50 62.99 1agj n PRO 42 Cb 0.46 -1.49 0.34 0.00 -0.04 0.00 0.00 33.50 32.78 1agj n PRO 42 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 1agj h TYR 43 N 1.47 0.91 0.00 0.54 0.05 -1.60 -1.59 116.97 116.75 1agj h TYR 43 Ca 0.00 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.81 1agj h TYR 43 Cb 0.54 -0.29 0.00 0.00 1.01 0.00 0.00 36.73 37.99 1agj h TYR 43 CO 0.00 0.34 0.00 0.27 -1.05 0.00 0.00 178.16 177.72 1agj n ASN 44 N -4.59 0.00 0.02 3.88 0.23 -0.44 -1.72 115.26 112.64 1agj n ASN 44 Ca 0.18 0.07 0.13 0.00 -0.53 0.00 0.00 54.58 54.43 1agj n ASN 44 Cb 0.45 -0.30 0.37 0.00 -2.08 0.00 0.00 39.78 38.21 1agj n ASN 44 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 1agj n THR 45 N -1.30 0.10 -3.26 5.53 -2.24 -0.60 -4.59 114.28 107.92 1agj n THR 45 Ca 0.08 -0.06 -0.38 0.00 -2.27 0.00 0.00 64.05 61.41 1agj n THR 45 Cb 0.15 -0.11 -0.06 0.00 -2.10 0.00 0.00 70.33 68.22 1agj n THR 45 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1agj s ILE 46 N -3.03 5.09 0.18 2.28 -1.09 -0.70 -0.09 121.20 123.84 1agj s ILE 46 Ca 0.11 1.09 -0.01 0.00 -2.23 0.00 0.00 60.65 59.61 1agj s ILE 46 Cb 0.17 -3.87 -0.04 0.00 -1.58 0.00 0.00 42.46 37.14 1agj s ILE 46 CO 0.64 0.35 0.10 -0.83 -1.23 0.00 0.00 174.94 173.97 1agj s GLY 47 N 0.36 1.30 -0.23 6.18 0.00 -0.42 -1.59 107.32 112.91 1agj s GLY 47 Ca 0.29 -1.63 -0.16 0.00 0.00 0.00 0.00 44.72 43.22 1agj s GLY 47 CO 0.13 -1.40 0.42 0.21 0.00 0.00 0.00 173.10 172.46 1agj s ASN 48 N -3.13 6.39 -0.37 1.64 3.84 -0.38 -1.13 114.94 121.79 1agj s ASN 48 Ca 0.34 0.46 -0.18 0.00 0.21 0.00 0.00 52.86 53.69 1agj s ASN 48 Cb 0.07 -2.24 0.00 0.00 -0.55 0.00 0.00 41.25 38.54 1agj s ASN 48 CO 0.08 -0.16 0.49 -0.69 -2.79 0.00 0.00 177.10 174.03 1agj s VAL 49 N 1.76 5.04 -0.24 -5.21 1.01 0.30 -1.14 120.40 121.91 1agj s VAL 49 Ca 0.19 0.13 -0.06 0.00 0.00 0.00 0.00 61.98 62.24 1agj s VAL 49 Cb -0.15 -3.98 -0.01 0.00 0.00 0.00 0.00 36.38 32.23 1agj s VAL 49 CO 0.09 -0.28 0.02 0.12 0.00 0.00 0.00 175.10 175.05 1agj s PHE 50 N 2.33 3.03 -0.32 5.22 5.36 0.22 -0.56 117.98 133.25 1agj s PHE 50 Ca 0.17 -0.73 -0.06 0.00 -0.96 0.00 0.00 56.93 55.35 1agj s PHE 50 Cb -0.16 -2.18 0.03 0.00 -0.34 0.00 0.00 43.02 40.38 1agj s PHE 50 CO 0.14 -0.47 0.08 0.08 -1.46 0.00 0.00 175.22 173.59 1agj s VAL 51 N 1.54 3.70 -0.31 3.12 1.01 0.03 -1.23 120.40 128.25 1agj s VAL 51 Ca 0.06 -1.07 -0.28 0.00 0.00 0.00 0.00 61.98 60.68 1agj s VAL 51 Cb -0.15 -3.05 -0.12 0.00 0.00 0.00 0.00 36.38 33.05 1agj s VAL 51 CO 0.00 -0.11 1.22 0.29 0.00 0.00 0.00 175.10 176.50 1agj n LYS 52 N 4.80 0.00 -1.59 2.72 5.02 -0.20 -0.59 118.16 128.31 1agj n LYS 52 Ca -0.13 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.06 1agj n LYS 52 Cb 0.45 -0.94 -0.03 0.00 -0.02 0.00 0.00 35.03 34.49 1agj n LYS 52 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1agj n GLY 53 N 3.88 0.58 1.02 0.72 0.00 -1.26 -4.71 105.19 105.42 1agj n GLY 53 Ca 0.29 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.31 1agj n GLY 53 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1agj n GLN 54 N -1.94 0.01 -3.59 1.61 1.13 0.25 -5.13 117.38 109.70 1agj n GLN 54 Ca -0.11 0.00 -0.10 0.00 -1.94 0.00 0.00 57.00 54.86 1agj n GLN 54 Cb 0.40 -0.51 -0.02 0.00 0.11 0.00 0.00 30.24 30.21 1agj n GLN 54 CO 0.00 0.00 0.00 -0.08 -1.44 0.00 0.00 177.06 175.54 1agj s THR 55 N -2.01 0.00 -0.23 5.09 -1.32 -0.90 -5.03 115.64 111.24 1agj s THR 55 Ca -0.00 -0.38 -0.03 0.00 -1.21 0.00 0.00 61.69 60.07 1agj s THR 55 Cb 0.00 -1.39 0.08 0.00 -1.51 0.00 0.00 72.50 69.67 1agj s THR 55 CO 0.01 0.00 0.08 -0.55 -2.21 0.00 0.00 174.62 171.95 1agj s SER 56 N -2.80 3.16 0.00 8.08 0.15 -1.26 -0.79 113.70 120.24 1agj s SER 56 Ca 0.05 -1.04 0.00 0.00 0.70 0.00 0.00 55.95 55.66 1agj s SER 56 Cb -0.03 -0.52 0.00 0.00 -1.71 0.00 0.00 66.02 63.76 1agj s SER 56 CO -0.05 -0.37 0.00 0.00 1.20 0.00 0.00 173.24 174.02 1agj n ALA 57 N 5.10 0.00 -2.48 5.45 0.00 0.27 -4.57 120.51 124.28 1agj n ALA 57 Ca -0.07 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.12 1agj n ALA 57 Cb 0.45 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.80 1agj n ALA 57 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1agj s THR 58 N 0.98 2.62 0.09 0.00 2.01 0.02 -0.54 115.64 120.83 1agj s THR 58 Ca 0.00 -2.10 -0.15 0.00 0.31 0.00 0.00 61.69 59.75 1agj s THR 58 Cb 0.00 -2.32 0.03 0.00 0.01 0.00 0.00 72.50 70.21 1agj s THR 58 CO 0.00 -0.24 0.35 -0.83 -0.69 0.00 0.00 174.62 173.20 1agj s GLY 59 N -3.09 -0.18 -0.06 4.40 0.00 -0.29 -4.09 107.32 104.01 1agj s GLY 59 Ca 0.26 -0.08 0.05 0.00 0.00 0.00 0.00 44.72 44.95 1agj s GLY 59 CO 0.13 -0.31 -0.21 0.14 0.00 0.00 0.00 173.10 172.85 1agj s VAL 60 N -3.34 1.77 -0.19 1.40 1.01 0.10 -1.30 120.40 119.85 1agj s VAL 60 Ca 0.00 -0.89 -0.29 0.00 0.00 0.00 0.00 61.98 60.80 1agj s VAL 60 Cb 0.01 -1.52 -0.00 0.00 0.00 0.00 0.00 36.38 34.88 1agj s VAL 60 CO -0.08 0.50 1.12 -0.22 0.00 0.00 0.00 175.10 176.41 1agj s LEU 61 N 0.06 4.15 0.00 3.92 2.96 0.87 -0.22 118.68 130.42 1agj s LEU 61 Ca -0.07 1.52 0.00 0.00 -0.22 0.00 0.00 54.13 55.36 1agj s LEU 61 Cb -0.14 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.01 1agj s LEU 61 CO 0.04 -0.68 0.08 2.30 -1.32 0.00 0.00 176.35 176.77 1agj n ILE 62 N 5.24 0.00 -4.14 6.68 -5.35 0.14 -0.49 119.36 121.44 1agj n ILE 62 Ca 0.12 -0.49 -0.13 0.00 -0.27 0.00 0.00 62.75 61.99 1agj n ILE 62 Cb 0.46 1.00 -0.08 0.00 -1.74 0.00 0.00 39.64 39.29 1agj n ILE 62 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1agj s GLY 63 N -0.83 1.33 0.31 3.28 0.00 -0.91 -4.65 107.32 105.84 1agj s GLY 63 Ca 0.00 -1.51 0.06 0.00 0.00 0.00 0.00 44.72 43.27 1agj s GLY 63 CO 0.00 -1.14 1.81 1.70 0.00 0.00 0.00 173.10 175.46 1agj h LYS 64 N 2.38 0.78 0.00 2.90 3.64 -1.82 -2.94 116.57 121.50 1agj h LYS 64 Ca -0.31 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.03 1agj h LYS 64 Cb 1.25 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.89 1agj h LYS 64 CO 0.44 0.52 -0.27 0.09 -2.27 0.00 0.00 179.45 177.95 1agj n ASN 65 N -4.69 1.05 -4.24 4.20 3.02 0.19 -0.68 115.26 114.10 1agj n ASN 65 Ca 0.21 -2.46 -0.32 0.00 -0.03 0.00 0.00 54.58 51.98 1agj n ASN 65 Cb 0.51 -0.30 -0.17 0.00 -0.61 0.00 0.00 39.78 39.22 1agj n ASN 65 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1agj s THR 66 N -1.27 2.07 -0.09 3.41 2.01 -0.79 0.63 115.64 121.61 1agj s THR 66 Ca 0.14 -1.04 0.03 0.00 0.31 0.00 0.00 61.69 61.13 1agj s THR 66 Cb 0.12 -1.77 -0.01 0.00 0.01 0.00 0.00 72.50 70.85 1agj s THR 66 CO 0.01 0.56 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.64 1agj s VAL 67 N 0.12 2.68 -0.20 3.82 1.01 0.33 -0.69 120.40 127.48 1agj s VAL 67 Ca -0.12 -0.82 -0.10 0.00 0.00 0.00 0.00 61.98 60.94 1agj s VAL 67 Cb -0.16 -2.07 -0.05 0.00 0.00 0.00 0.00 36.38 34.10 1agj s VAL 67 CO 0.07 0.55 0.12 -0.22 0.00 0.00 0.00 175.10 175.63 1agj s LEU 68 N 0.00 4.19 0.00 3.92 2.96 0.69 -0.49 118.68 129.95 1agj s LEU 68 Ca -0.06 0.23 0.00 0.00 -0.22 0.00 0.00 54.13 54.08 1agj s LEU 68 Cb -0.15 -2.08 0.00 0.00 0.50 0.00 0.00 46.19 44.46 1agj s LEU 68 CO 0.05 0.19 0.00 1.07 -1.32 0.00 0.00 176.35 176.33 1agj n THR 69 N 3.47 0.00 -3.01 3.68 5.66 -0.84 -0.72 114.28 122.52 1agj n THR 69 Ca -0.16 0.00 -0.34 0.00 -3.05 0.00 0.00 64.05 60.50 1agj n THR 69 Cb 0.52 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.24 1agj n THR 69 CO 0.00 0.00 0.00 0.20 -3.05 0.00 0.00 175.07 172.22 1agj s ASN 70 N -0.65 6.91 0.26 1.09 0.02 -1.26 -0.86 114.94 120.46 1agj s ASN 70 Ca 0.00 1.47 -0.01 0.00 -1.02 0.00 0.00 52.86 53.30 1agj s ASN 70 Cb 0.00 -2.45 0.35 0.00 0.02 0.00 0.00 41.25 39.17 1agj s ASN 70 CO 0.00 -0.20 1.75 -0.09 0.02 0.00 0.00 177.10 178.57 1agj h ARG 71 N 2.40 0.73 0.00 -0.60 2.43 -1.68 -1.83 114.38 115.83 1agj h ARG 71 Ca -0.48 -0.21 -0.00 0.00 -0.81 0.00 0.00 59.98 58.48 1agj h ARG 71 Cb 1.18 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 30.65 1agj h ARG 71 CO 0.64 0.78 -0.01 1.12 -1.51 0.00 0.00 179.97 180.99 1agj h HIS 72 N 0.67 0.00 0.08 2.20 2.07 -1.89 0.14 115.15 118.42 1agj h HIS 72 Ca 0.12 0.00 -0.17 0.00 -2.85 0.00 0.00 60.37 57.47 1agj h HIS 72 Cb 0.50 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.48 1agj h HIS 72 CO 0.02 0.01 -0.85 0.82 -3.07 0.00 0.00 177.93 174.86 1agj h ILE 73 N 0.00 1.36 -0.26 6.12 1.08 -1.84 -3.31 117.51 120.66 1agj h ILE 73 Ca -0.00 -2.40 0.02 0.00 -0.39 0.00 0.00 64.86 62.09 1agj h ILE 73 Cb 0.46 2.97 -0.01 0.00 -3.07 0.00 0.00 36.82 37.17 1agj h ILE 73 CO 0.00 0.63 0.18 0.00 -0.69 0.00 0.00 178.15 178.27 1agj h ALA 74 N -0.06 1.93 -0.39 1.87 0.00 -0.99 -2.34 119.26 119.30 1agj h ALA 74 Ca -0.18 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 54.80 1agj h ALA 74 Cb 1.47 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.18 1agj h ALA 74 CO 0.04 0.03 0.27 -0.22 0.00 0.00 0.00 179.25 179.37 1agj h LYS 75 N 0.25 0.15 0.00 0.00 1.63 -1.06 -2.04 116.57 115.51 1agj h LYS 75 Ca 0.11 -0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 59.89 1agj h LYS 75 Cb 0.12 -0.03 -0.00 0.00 -0.60 0.00 0.00 32.23 31.71 1agj h LYS 75 CO -0.02 0.10 -0.05 0.74 -3.45 0.00 0.00 179.45 176.78 1agj h PHE 76 N 0.16 0.00 0.00 1.91 0.04 -1.56 -2.15 116.94 115.33 1agj h PHE 76 Ca 0.18 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.95 1agj h PHE 76 Cb 0.50 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.65 1agj h PHE 76 CO -0.00 0.05 0.00 0.00 -0.60 0.00 0.00 178.31 177.76 1agj n ALA 77 N -2.19 2.27 -3.89 2.45 0.00 -0.76 -4.93 120.51 113.46 1agj n ALA 77 Ca -0.02 -0.05 -0.28 0.00 0.00 0.00 0.00 53.44 53.09 1agj n ALA 77 Cb 0.17 -1.46 0.02 0.00 0.00 0.00 0.00 19.45 18.18 1agj n ALA 77 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1agj n ASN 78 N -2.00 -3.35 -0.13 0.00 5.03 -0.81 -0.90 115.26 113.11 1agj n ASN 78 Ca 0.06 -0.83 -0.02 0.00 0.87 0.00 0.00 54.58 54.66 1agj n ASN 78 Cb 0.39 -3.77 -0.01 0.00 -1.02 0.00 0.00 39.78 35.38 1agj n ASN 78 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1agj n GLY 79 N -1.67 0.34 3.27 7.41 0.00 -1.26 -4.97 105.19 108.32 1agj n GLY 79 Ca -0.08 -0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.47 1agj n GLY 79 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1agj s ASP 80 N -2.11 5.83 0.59 1.61 -1.08 -0.08 -4.87 116.67 116.56 1agj s ASP 80 Ca 0.00 -1.67 0.30 0.00 -0.52 0.00 0.00 52.55 50.65 1agj s ASP 80 Cb 0.00 -2.06 1.83 0.00 -1.46 0.00 0.00 42.92 41.22 1agj s ASP 80 CO 0.00 -0.66 2.26 1.55 0.52 0.00 0.00 175.17 178.83 1agj h PRO 81 N 8.55 0.00 0.00 4.34 0.13 -1.86 -1.77 132.00 141.39 1agj h PRO 81 Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 1agj h PRO 81 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1agj h PRO 81 CO 0.86 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 177.50 1agj n SER 82 N -3.85 0.63 -0.02 1.44 3.41 -1.26 -1.98 113.62 111.99 1agj n SER 82 Ca -0.03 0.68 0.12 0.00 -0.26 0.00 0.00 58.87 59.39 1agj n SER 82 Cb 0.08 -0.81 0.32 0.00 -0.26 0.00 0.00 64.21 63.55 1agj n SER 82 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1agj n LYS 83 N -2.22 0.08 -4.74 4.33 4.76 -0.66 -4.89 118.16 114.82 1agj n LYS 83 Ca 0.01 -0.04 -0.31 0.00 -2.87 0.00 0.00 58.31 55.10 1agj n LYS 83 Cb 0.19 -1.50 -0.13 0.00 -1.84 0.00 0.00 35.03 31.75 1agj n LYS 83 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1agj s VAL 84 N -2.95 2.89 0.02 -0.18 1.01 -0.84 -1.04 120.40 119.32 1agj s VAL 84 Ca 0.13 -1.03 -0.00 0.00 0.00 0.00 0.00 61.98 61.08 1agj s VAL 84 Cb 0.18 -2.19 -0.02 0.00 0.00 0.00 0.00 36.38 34.35 1agj s VAL 84 CO 0.66 0.42 -0.03 -0.94 0.00 0.00 0.00 175.10 175.21 1agj s SER 85 N -1.22 0.24 -0.11 3.32 1.04 -0.36 -3.54 113.70 113.08 1agj s SER 85 Ca 0.14 -0.51 0.03 0.00 0.48 0.00 0.00 55.95 56.09 1agj s SER 85 Cb -0.11 0.10 -0.00 0.00 0.10 0.00 0.00 66.02 66.11 1agj s SER 85 CO 0.04 -0.31 -0.22 0.12 0.98 0.00 0.00 173.24 173.86 1agj s PHE 86 N -1.50 2.61 -0.43 5.02 5.36 0.31 -0.61 117.98 128.74 1agj s PHE 86 Ca -0.16 -0.98 0.03 0.00 -0.96 0.00 0.00 56.93 54.87 1agj s PHE 86 Cb -0.10 -1.74 0.12 0.00 -0.34 0.00 0.00 43.02 40.96 1agj s PHE 86 CO -0.01 -0.38 0.17 1.03 -1.46 0.00 0.00 175.22 174.57 1agj s ARG 87 N 0.35 1.58 0.23 10.12 0.52 -0.29 -0.07 118.95 131.39 1agj s ARG 87 Ca -0.17 -2.13 -0.30 0.00 -0.52 0.00 0.00 55.73 52.61 1agj s ARG 87 Cb -0.18 -2.99 -0.09 0.00 0.52 0.00 0.00 34.95 32.22 1agj s ARG 87 CO 0.08 -1.05 1.36 -1.25 0.02 0.00 0.00 175.30 174.45 1agj s PRO 88 N 0.38 4.34 -0.95 3.54 0.04 -1.26 -1.25 135.00 139.84 1agj s PRO 88 Ca 0.14 2.15 -0.03 0.00 0.04 0.00 0.00 61.00 63.31 1agj s PRO 88 Cb -0.23 -3.15 0.02 0.00 0.04 0.00 0.00 34.50 31.18 1agj s PRO 88 CO -0.05 -0.30 0.15 0.43 0.04 0.00 0.00 177.00 177.26 1agj n SER 89 N 2.38 -3.34 -4.76 6.66 7.64 -0.62 -4.51 113.62 117.07 1agj n SER 89 Ca 0.06 0.06 -0.36 0.00 1.01 0.00 0.00 58.87 59.64 1agj n SER 89 Cb 0.42 -2.84 0.02 0.00 -1.01 0.00 0.00 64.21 60.80 1agj n SER 89 CO 0.00 0.00 0.00 -0.51 -3.01 0.00 0.00 175.04 171.52 1agj s ILE 90 N -2.61 2.78 -0.14 0.44 2.07 -1.19 -4.54 121.20 118.01 1agj s ILE 90 Ca 0.12 0.50 -0.06 0.00 -1.41 0.00 0.00 60.65 59.80 1agj s ILE 90 Cb -0.07 -3.21 0.06 0.00 0.13 0.00 0.00 42.46 39.38 1agj s ILE 90 CO 0.15 -0.09 0.32 0.21 -1.91 0.00 0.00 174.94 173.61 1agj s ASN 91 N -1.60 -0.17 -0.25 4.50 2.47 -0.48 -4.51 114.94 114.90 1agj s ASN 91 Ca 0.75 0.70 0.01 0.00 0.42 0.00 0.00 52.86 54.73 1agj s ASN 91 Cb -0.29 0.70 0.04 0.00 -1.45 0.00 0.00 41.25 40.25 1agj s ASN 91 CO 0.32 -0.20 -0.09 -0.89 -3.72 0.00 0.00 177.10 172.52 1agj s THR 92 N 1.77 2.47 1.04 -5.21 2.01 -0.26 0.08 115.64 117.55 1agj s THR 92 Ca -0.06 -1.33 -0.18 0.00 0.31 0.00 0.00 61.69 60.44 1agj s THR 92 Cb -0.10 -2.33 0.25 0.00 0.01 0.00 0.00 72.50 70.32 1agj s THR 92 CO -0.10 0.11 1.09 -0.90 -0.69 0.00 0.00 174.62 174.12 1agj n ASP 93 N 4.55 -1.22 -0.11 3.53 5.68 -0.31 -4.68 116.55 124.00 1agj n ASP 93 Ca -0.16 -1.24 0.02 0.00 -0.50 0.00 0.00 54.79 52.91 1agj n ASP 93 Cb 0.45 -0.93 0.06 0.00 -1.14 0.00 0.00 41.12 39.56 1agj n ASP 93 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 1agj n ASP 94 N -4.37 0.32 -0.18 -1.12 8.00 -1.26 -3.40 116.55 114.53 1agj n ASP 94 Ca 0.14 -1.96 0.09 0.00 0.71 0.00 0.00 54.79 53.77 1agj n ASP 94 Cb 0.54 -0.04 0.15 0.00 -0.02 0.00 0.00 41.12 41.75 1agj n ASP 94 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1agj n ASN 95 N -0.35 2.17 -0.02 -2.24 4.13 -1.26 -4.98 115.26 112.72 1agj n ASN 95 Ca 0.03 -3.21 -0.00 0.00 1.68 0.00 0.00 54.58 53.08 1agj n ASN 95 Cb 0.05 -0.44 -0.00 0.00 -1.54 0.00 0.00 39.78 37.85 1agj n ASN 95 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1agj n GLY 96 N -1.34 0.45 3.38 7.41 0.00 -1.22 -5.03 105.19 108.83 1agj n GLY 96 Ca 0.16 -0.63 -0.38 0.00 0.00 0.00 0.00 46.02 45.18 1agj n GLY 96 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1agj s ASN 97 N -2.58 5.32 -0.15 1.61 3.84 -1.26 -4.95 114.94 116.77 1agj s ASN 97 Ca 0.00 -0.68 -0.06 0.00 0.21 0.00 0.00 52.86 52.33 1agj s ASN 97 Cb 0.00 -1.93 -0.04 0.00 -0.55 0.00 0.00 41.25 38.73 1agj s ASN 97 CO 0.00 -0.21 0.08 -0.89 -2.79 0.00 0.00 177.10 173.29 1agj s THR 98 N 1.54 4.93 -0.01 -5.21 2.01 -1.26 -1.16 115.64 116.48 1agj s THR 98 Ca 0.03 0.00 0.06 0.00 0.31 0.00 0.00 61.69 62.10 1agj s THR 98 Cb -0.17 -3.18 -0.02 0.00 0.01 0.00 0.00 72.50 69.14 1agj s THR 98 CO 0.04 0.53 -0.20 -1.83 -0.69 0.00 0.00 174.62 172.47 1agj s GLU 99 N -0.22 1.57 -0.42 4.92 -1.05 0.11 -4.97 118.70 118.64 1agj s GLU 99 Ca 0.08 -0.73 0.02 0.00 -0.15 0.00 0.00 54.97 54.19 1agj s GLU 99 Cb -0.12 -1.54 0.15 0.00 -0.44 0.00 0.00 34.13 32.18 1agj s GLU 99 CO 0.01 0.42 0.27 0.95 0.95 0.00 0.00 175.26 177.86 1agj s THR 100 N -0.50 0.81 0.44 1.83 -4.23 -1.26 -1.39 115.64 111.34 1agj s THR 100 Ca 0.08 -2.37 0.22 0.00 -1.18 0.00 0.00 61.69 58.44 1agj s THR 100 Cb -0.08 -1.57 0.42 0.00 1.34 0.00 0.00 72.50 72.61 1agj s THR 100 CO -0.00 -1.01 1.81 -0.65 -0.54 0.00 0.00 174.62 174.23 1agj h PRO 101 N 6.53 0.29 -0.28 3.99 0.11 -1.80 -1.12 132.00 139.72 1agj h PRO 101 Ca 0.08 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.18 1agj h PRO 101 Cb 0.93 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.97 1agj h PRO 101 CO 0.39 0.19 0.00 0.66 -0.21 0.00 0.00 178.00 179.04 1agj n TYR 102 N -4.50 0.38 -1.85 0.65 4.01 -1.26 -5.10 117.16 109.49 1agj n TYR 102 Ca 0.23 -0.49 0.00 0.00 -0.16 0.00 0.00 57.90 57.48 1agj n TYR 102 Cb 0.90 -0.03 0.00 0.00 -0.31 0.00 0.00 39.34 39.90 1agj n TYR 102 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1agj n GLY 103 N 0.35 -2.30 3.32 2.72 0.00 -0.43 -4.90 105.19 103.95 1agj n GLY 103 Ca 0.10 -1.64 -0.32 0.00 0.00 0.00 0.00 46.02 44.15 1agj n GLY 103 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1agj s GLU 104 N -0.35 2.98 -0.11 1.61 2.12 -1.26 -4.26 118.70 119.42 1agj s GLU 104 Ca 0.00 -0.79 -0.02 0.00 0.36 0.00 0.00 54.97 54.52 1agj s GLU 104 Cb 0.00 -2.40 -0.03 0.00 0.26 0.00 0.00 34.13 31.96 1agj s GLU 104 CO 0.00 0.31 -0.02 0.71 -0.54 0.00 0.00 175.26 175.72 1agj s TYR 105 N 0.07 3.09 0.55 5.30 1.51 0.90 -4.96 117.35 123.81 1agj s TYR 105 Ca -0.08 0.01 -0.10 0.00 -1.01 0.00 0.00 57.07 55.89 1agj s TYR 105 Cb -0.15 -1.85 -0.04 0.00 -0.11 0.00 0.00 41.96 39.81 1agj s TYR 105 CO 0.05 0.27 0.93 -1.21 -1.11 0.00 0.00 175.55 174.49 1agj s GLU 106 N -0.40 3.63 -0.15 -0.62 2.02 -1.26 -0.53 118.70 121.39 1agj s GLU 106 Ca 0.07 0.58 -0.05 0.00 0.02 0.00 0.00 54.97 55.59 1agj s GLU 106 Cb -0.12 -2.20 -0.04 0.00 0.10 0.00 0.00 34.13 31.87 1agj s GLU 106 CO 0.02 -0.39 0.04 0.08 0.02 0.00 0.00 175.26 175.03 1agj s VAL 107 N -2.94 4.62 -0.08 2.63 1.01 -1.23 -1.03 120.40 123.37 1agj s VAL 107 Ca 0.53 -0.11 0.01 0.00 0.00 0.00 0.00 61.98 62.41 1agj s VAL 107 Cb -0.11 -3.03 -0.25 0.00 0.00 0.00 0.00 36.38 32.99 1agj s VAL 107 CO 0.47 0.52 0.51 0.50 0.00 0.00 0.00 175.10 177.10 1agj h LYS 108 N 6.15 0.16 -2.08 2.72 3.64 -0.25 -3.41 116.57 123.49 1agj h LYS 108 Ca -0.41 -0.28 -0.06 0.00 -1.27 0.00 0.00 60.65 58.64 1agj h LYS 108 Cb 1.18 0.10 -0.20 0.00 -0.41 0.00 0.00 32.23 32.90 1agj h LYS 108 CO 0.64 0.92 0.12 -2.00 -2.27 0.00 0.00 179.45 176.87 1agj s GLU 109 N -2.58 0.93 -0.16 1.90 2.12 -1.07 -4.87 118.70 114.97 1agj s GLU 109 Ca -0.15 0.55 -0.02 0.00 0.36 0.00 0.00 54.97 55.72 1agj s GLU 109 Cb 0.07 0.44 -0.01 0.00 0.26 0.00 0.00 34.13 34.89 1agj s GLU 109 CO 0.80 -0.22 -0.09 0.42 -0.54 0.00 0.00 175.26 175.63 1agj s ILE 110 N -0.49 3.24 -0.69 -3.70 1.01 -1.26 -0.61 121.20 118.70 1agj s ILE 110 Ca -0.06 -0.58 -0.07 0.00 0.00 0.00 0.00 60.65 59.94 1agj s ILE 110 Cb -0.02 -2.40 0.18 0.00 0.01 0.00 0.00 42.46 40.22 1agj s ILE 110 CO 0.06 0.49 0.55 -0.76 0.00 0.00 0.00 174.94 175.28 1agj s LEU 111 N 0.71 5.82 0.26 2.97 1.02 0.63 -4.97 118.68 125.12 1agj s LEU 111 Ca -0.04 -2.73 -0.02 0.00 0.02 0.00 0.00 54.13 51.35 1agj s LEU 111 Cb -0.15 -1.99 0.45 0.00 0.02 0.00 0.00 46.19 44.51 1agj s LEU 111 CO 0.02 -0.47 1.84 -0.61 0.02 0.00 0.00 176.35 177.15 1agj h GLN 112 N 7.40 0.93 -0.93 1.70 4.15 -1.92 -0.90 115.11 125.53 1agj h GLN 112 Ca 0.01 -0.06 -0.35 0.00 0.77 0.00 0.00 58.65 59.03 1agj h GLN 112 Cb 0.99 -0.21 -0.27 0.00 0.21 0.00 0.00 27.48 28.20 1agj h GLN 112 CO 0.74 0.61 -0.80 -0.85 -1.93 0.00 0.00 178.83 176.60 1agj n GLU 113 N -4.64 1.01 0.03 1.69 0.28 -1.26 -4.37 120.64 113.38 1agj n GLU 113 Ca 0.16 -2.62 0.07 0.00 -0.16 0.00 0.00 57.16 54.61 1agj n GLU 113 Cb 0.28 -1.31 0.30 0.00 1.43 0.00 0.00 31.44 32.14 1agj n GLU 113 CO 0.00 0.00 0.00 -0.35 -0.16 0.00 0.00 177.13 176.62 1agj n PRO 114 N 0.28 0.04 -0.00 3.44 -0.04 -1.26 -1.84 135.00 135.62 1agj n PRO 114 Ca 0.14 0.35 0.10 0.00 -0.04 0.00 0.00 63.50 64.05 1agj n PRO 114 Cb 0.69 -1.59 0.08 0.00 -0.04 0.00 0.00 33.50 32.64 1agj n PRO 114 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1agj n PHE 115 N -1.68 0.01 0.00 0.54 3.01 -1.26 -5.02 117.46 113.06 1agj n PHE 115 Ca 0.02 -0.01 0.00 0.00 1.01 0.00 0.00 57.45 58.48 1agj n PHE 115 Cb 0.14 -0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.61 1agj n PHE 115 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1agj n GLY 116 N 1.09 2.99 0.30 1.37 0.00 -0.77 -4.55 105.19 105.62 1agj n GLY 116 Ca 0.11 -1.68 0.16 0.00 0.00 0.00 0.00 46.02 44.61 1agj n GLY 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1agj h ALA 117 N 0.00 1.40 -0.01 4.61 0.00 -1.97 -1.83 119.26 121.46 1agj h ALA 117 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1agj h ALA 117 Cb 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1agj h ALA 117 CO 0.00 0.03 -0.10 0.41 0.00 0.00 0.00 179.25 179.59 1agj n GLY 118 N -1.15 -0.72 3.31 0.00 0.00 -1.26 -4.67 105.19 100.71 1agj n GLY 118 Ca -0.03 -0.32 -0.37 0.00 0.00 0.00 0.00 46.02 45.31 1agj n GLY 118 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1agj s VAL 119 N -2.34 3.78 -1.21 1.61 1.01 -0.69 -5.01 120.40 117.56 1agj s VAL 119 Ca 0.32 -0.80 -0.08 0.00 0.00 0.00 0.00 61.98 61.41 1agj s VAL 119 Cb 0.20 -2.97 -0.07 0.00 0.00 0.00 0.00 36.38 33.54 1agj s VAL 119 CO 0.45 0.06 2.44 -0.67 0.00 0.00 0.00 175.10 177.38 1agj n ASP 120 N 4.83 6.29 -3.96 3.32 2.03 -1.26 -4.66 116.55 123.14 1agj n ASP 120 Ca -0.14 -2.45 -0.12 0.00 0.52 0.00 0.00 54.79 52.59 1agj n ASP 120 Cb 0.47 -1.30 -0.13 0.00 -0.72 0.00 0.00 41.12 39.45 1agj n ASP 120 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1agj s LEU 121 N 0.25 2.13 0.04 -2.67 1.43 -1.26 -3.04 118.68 115.57 1agj s LEU 121 Ca 0.52 -0.30 -0.04 0.00 -1.03 0.00 0.00 54.13 53.29 1agj s LEU 121 Cb 0.14 -0.06 -0.02 0.00 0.03 0.00 0.00 46.19 46.28 1agj s LEU 121 CO -0.04 -0.13 0.05 0.00 0.23 0.00 0.00 176.35 176.47 1agj s ALA 122 N -0.79 0.10 -0.11 4.21 0.00 -0.04 -4.06 121.76 121.08 1agj s ALA 122 Ca -0.07 -0.74 0.01 0.00 0.00 0.00 0.00 51.96 51.16 1agj s ALA 122 Cb -0.06 0.27 -0.02 0.00 0.00 0.00 0.00 23.12 23.31 1agj s ALA 122 CO -0.00 -0.33 -0.14 -0.51 0.00 0.00 0.00 175.76 174.77 1agj s LEU 123 N -2.33 2.66 -0.17 0.00 1.43 -0.34 -1.98 118.68 117.94 1agj s LEU 123 Ca -0.02 -0.33 -0.01 0.00 -1.03 0.00 0.00 54.13 52.74 1agj s LEU 123 Cb 0.01 -1.58 -0.01 0.00 0.03 0.00 0.00 46.19 44.64 1agj s LEU 123 CO -0.06 0.20 -0.11 -0.63 0.23 0.00 0.00 176.35 175.97 1agj s ILE 124 N 0.17 2.98 -0.24 -0.59 -1.09 0.36 -0.27 121.20 122.52 1agj s ILE 124 Ca -0.08 -0.66 -0.11 0.00 -2.23 0.00 0.00 60.65 57.57 1agj s ILE 124 Cb -0.15 -2.29 -0.05 0.00 -1.58 0.00 0.00 42.46 38.39 1agj s ILE 124 CO 0.05 0.49 0.20 -0.13 -1.23 0.00 0.00 174.94 174.32 1agj s ARG 125 N 0.87 4.08 0.31 2.79 0.52 0.22 -0.51 118.95 127.23 1agj s ARG 125 Ca -0.03 -0.21 -0.04 0.00 -0.52 0.00 0.00 55.73 54.93 1agj s ARG 125 Cb -0.15 -3.55 -0.05 0.00 0.52 0.00 0.00 34.95 31.72 1agj s ARG 125 CO -0.00 0.03 0.57 -0.51 0.02 0.00 0.00 175.30 175.41 1agj s LEU 126 N 1.14 4.03 0.28 2.53 1.43 0.20 0.45 118.68 128.75 1agj s LEU 126 Ca 0.09 0.70 -0.07 0.00 -1.03 0.00 0.00 54.13 53.81 1agj s LEU 126 Cb -0.14 -3.53 -0.06 0.00 0.03 0.00 0.00 46.19 42.49 1agj s LEU 126 CO 0.05 -0.23 0.58 -0.54 0.23 0.00 0.00 176.35 176.45 1agj s LYS 127 N -3.71 3.72 1.03 1.70 1.02 -0.20 -4.56 119.74 118.74 1agj s LYS 127 Ca 0.44 0.18 -0.15 0.00 0.02 0.00 0.00 55.97 56.45 1agj s LYS 127 Cb -0.11 -2.61 0.21 0.00 -0.52 0.00 0.00 37.83 34.80 1agj s LYS 127 CO 0.31 0.22 1.15 -1.25 -0.92 0.00 0.00 175.35 174.86 1agj s PRO 128 N -3.32 0.17 1.08 -1.68 0.04 -1.26 -4.55 135.00 125.47 1agj s PRO 128 Ca 0.46 0.10 -0.18 0.00 0.04 0.00 0.00 61.00 61.42 1agj s PRO 128 Cb -0.11 -1.74 0.26 0.00 0.04 0.00 0.00 34.50 32.95 1agj s PRO 128 CO 0.27 -2.82 1.10 -0.40 0.04 0.00 0.00 177.00 175.19 1agj n ASP 129 N -4.16 -1.33 0.21 6.66 5.68 0.38 -4.78 116.55 119.21 1agj n ASP 129 Ca 0.10 -1.24 0.14 0.00 -0.50 0.00 0.00 54.79 53.29 1agj n ASP 129 Cb 0.59 -0.95 0.76 0.00 -1.14 0.00 0.00 41.12 40.38 1agj n ASP 129 CO 0.00 0.00 0.00 0.06 -1.33 0.00 0.00 177.20 175.93 1agj h GLN 130 N 0.00 0.00 -0.64 0.11 3.07 -1.95 0.68 115.11 116.37 1agj h GLN 130 Ca -0.39 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.35 1agj h GLN 130 Cb 1.16 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.72 1agj h GLN 130 CO 0.26 0.00 0.00 0.09 0.09 0.00 0.00 178.83 179.27 1agj n ASN 131 N -2.48 4.13 -0.21 0.06 4.13 -1.26 -4.93 115.26 114.70 1agj n ASN 131 Ca -0.02 -2.19 -0.03 0.00 1.68 0.00 0.00 54.58 54.02 1agj n ASN 131 Cb 0.05 -0.49 -0.01 0.00 -1.54 0.00 0.00 39.78 37.78 1agj n ASN 131 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1agj n GLY 132 N 1.26 0.60 3.58 7.41 0.00 0.23 -5.02 105.19 113.25 1agj n GLY 132 Ca 0.23 -0.84 -0.38 0.00 0.00 0.00 0.00 46.02 45.03 1agj n GLY 132 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1agj s VAL 133 N -2.09 5.30 0.50 1.61 1.01 -1.25 -4.77 120.40 120.72 1agj s VAL 133 Ca 0.00 0.10 -0.20 0.00 0.00 0.00 0.00 61.98 61.88 1agj s VAL 133 Cb 0.00 -3.56 -0.08 0.00 0.00 0.00 0.00 36.38 32.74 1agj s VAL 133 CO 0.00 0.20 1.07 -0.44 0.00 0.00 0.00 175.10 175.93 1agj s SER 134 N 1.75 6.15 0.26 3.32 0.01 -1.26 -0.47 113.70 123.47 1agj s SER 134 Ca 0.07 2.01 -0.03 0.00 1.31 0.00 0.00 55.95 59.30 1agj s SER 134 Cb -0.16 -2.57 0.38 0.00 0.21 0.00 0.00 66.02 63.88 1agj s SER 134 CO 0.11 -0.92 1.88 0.25 0.41 0.00 0.00 173.24 174.98 1agj h LEU 135 N 1.46 1.03 0.00 2.44 5.85 -1.86 0.17 115.31 124.39 1agj h LEU 135 Ca -0.50 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.23 1agj h LEU 135 Cb 1.23 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 42.05 1agj h LEU 135 CO 0.58 0.67 0.00 0.61 -0.34 0.00 0.00 178.44 179.96 1agj n GLY 136 N -1.36 -0.61 0.09 3.75 0.00 0.14 -1.43 105.19 105.78 1agj n GLY 136 Ca 0.15 -0.07 -0.11 0.00 0.00 0.00 0.00 46.02 45.99 1agj n GLY 136 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1agj h ASP 137 N 0.00 0.07 0.20 1.61 3.32 -1.19 -3.38 116.42 117.05 1agj h ASP 137 Ca 0.00 -0.16 -0.28 0.00 0.02 0.00 0.00 57.03 56.61 1agj h ASP 137 Cb 0.08 -0.02 0.03 0.00 0.22 0.00 0.00 39.33 39.63 1agj h ASP 137 CO 0.00 1.14 -1.26 0.11 -1.72 0.00 0.00 179.24 177.51 1agj h LYS 138 N 0.01 0.42 -5.01 3.56 1.57 -1.14 -3.47 116.57 112.51 1agj h LYS 138 Ca -0.30 -0.73 -0.32 0.00 -1.87 0.00 0.00 60.65 57.44 1agj h LYS 138 Cb 2.01 0.27 -0.16 0.00 0.08 0.00 0.00 32.23 34.43 1agj h LYS 138 CO 0.08 1.35 -0.72 0.96 -0.57 0.00 0.00 179.45 180.55 1agj s ILE 139 N -2.53 1.03 0.10 1.86 -4.36 -0.75 -5.13 121.20 111.42 1agj s ILE 139 Ca -0.12 -1.82 -0.26 0.00 -0.26 0.00 0.00 60.65 58.18 1agj s ILE 139 Cb 0.03 -1.58 -0.06 0.00 1.25 0.00 0.00 42.46 42.10 1agj s ILE 139 CO 0.89 -0.64 0.81 -0.94 0.24 0.00 0.00 174.94 175.29 1agj s SER 140 N -2.76 7.33 0.97 4.36 1.04 -1.26 -4.25 113.70 119.13 1agj s SER 140 Ca 0.10 1.58 -0.12 0.00 0.48 0.00 0.00 55.95 58.00 1agj s SER 140 Cb -0.00 -2.50 0.18 0.00 0.10 0.00 0.00 66.02 63.79 1agj s SER 140 CO -0.00 0.06 1.09 -2.84 0.98 0.00 0.00 173.24 172.52 1agj s PRO 141 N -0.37 0.60 0.50 4.02 0.02 -1.26 -4.78 135.00 133.71 1agj s PRO 141 Ca 0.39 0.99 -0.23 0.00 0.02 0.00 0.00 61.00 62.17 1agj s PRO 141 Cb -0.22 -1.72 -0.07 0.00 0.02 0.00 0.00 34.50 32.52 1agj s PRO 141 CO 0.25 -2.74 1.38 0.00 -0.33 0.00 0.00 177.00 175.56 1agj s ALA 142 N -2.74 3.02 0.10 -1.55 0.00 0.36 -4.95 121.76 116.00 1agj s ALA 142 Ca 0.66 1.37 -0.30 0.00 0.00 0.00 0.00 51.96 53.68 1agj s ALA 142 Cb -0.21 -3.57 -0.05 0.00 0.00 0.00 0.00 23.12 19.29 1agj s ALA 142 CO 0.59 -1.24 0.99 0.15 0.00 0.00 0.00 175.76 176.25 1agj s LYS 143 N -2.67 4.65 -0.27 0.00 1.02 -1.26 -4.81 119.74 116.41 1agj s LYS 143 Ca 0.66 1.49 -0.14 0.00 0.02 0.00 0.00 55.97 58.00 1agj s LYS 143 Cb -0.41 -3.38 -0.04 0.00 -0.52 0.00 0.00 37.83 33.48 1agj s LYS 143 CO 0.51 0.13 0.33 0.42 -0.92 0.00 0.00 175.35 175.82 1agj s ILE 144 N 0.20 5.21 0.00 2.17 1.01 -1.26 0.08 121.20 128.60 1agj s ILE 144 Ca 0.49 0.49 0.00 0.00 0.00 0.00 0.00 60.65 61.62 1agj s ILE 144 Cb -0.24 -3.66 0.00 0.00 0.01 0.00 0.00 42.46 38.57 1agj s ILE 144 CO 0.30 0.19 0.00 0.61 0.00 0.00 0.00 174.94 176.04 1agj n GLY 145 N 4.69 1.83 3.18 6.18 0.00 0.61 -4.81 105.19 116.88 1agj n GLY 145 Ca -0.10 -1.73 -0.11 0.00 0.00 0.00 0.00 46.02 44.08 1agj n GLY 145 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1agj s THR 146 N 4.47 0.09 -1.24 2.61 -1.32 -1.26 -4.87 115.64 114.11 1agj s THR 146 Ca 0.00 -0.74 0.23 0.00 -1.21 0.00 0.00 61.69 59.97 1agj s THR 146 Cb 0.00 -0.75 -0.07 0.00 -1.51 0.00 0.00 72.50 70.17 1agj s THR 146 CO 0.00 -0.41 1.16 -1.54 -2.21 0.00 0.00 174.62 171.62 1agj n SER 147 N 0.95 1.01 -0.27 8.08 3.41 -0.68 -4.49 113.62 121.65 1agj n SER 147 Ca -0.20 -0.85 0.17 0.00 -0.26 0.00 0.00 58.87 57.73 1agj n SER 147 Cb 0.58 0.60 0.46 0.00 -0.26 0.00 0.00 64.21 65.59 1agj n SER 147 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 1agj h ASN 148 N 0.51 0.51 -0.54 4.04 2.35 -1.93 -2.38 115.58 118.13 1agj h ASN 148 Ca 0.00 0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.80 1agj h ASN 148 Cb 0.54 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.87 1agj h ASN 148 CO 0.00 0.20 0.00 -0.90 -1.65 0.00 0.00 177.43 175.08 1agj n ASP 149 N -4.56 4.60 -4.80 5.81 5.68 -1.26 -4.98 116.55 117.04 1agj n ASP 149 Ca 0.20 -2.58 -0.34 0.00 -0.50 0.00 0.00 54.79 51.57 1agj n ASP 149 Cb 0.65 -0.56 -0.04 0.00 -1.14 0.00 0.00 41.12 40.04 1agj n ASP 149 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 1agj s LEU 150 N -2.07 3.85 0.08 -2.12 1.43 -0.90 -5.06 118.68 113.89 1agj s LEU 150 Ca 0.47 1.91 0.02 0.00 -1.03 0.00 0.00 54.13 55.50 1agj s LEU 150 Cb 0.32 -4.56 -0.03 0.00 0.03 0.00 0.00 46.19 41.95 1agj s LEU 150 CO 0.20 -0.75 -0.08 -0.54 0.23 0.00 0.00 176.35 175.41 1agj s LYS 151 N -3.24 0.73 0.30 1.70 1.02 -1.26 -5.08 119.74 113.91 1agj s LYS 151 Ca 0.67 -1.09 -0.29 0.00 0.02 0.00 0.00 55.97 55.27 1agj s LYS 151 Cb -0.16 -0.32 -0.13 0.00 -0.52 0.00 0.00 37.83 36.70 1agj s LYS 151 CO 0.20 0.03 1.34 -0.25 -0.92 0.00 0.00 175.35 175.75 1agj n ASP 152 N 0.63 2.80 0.00 2.83 8.00 -1.26 -1.11 116.55 128.44 1agj n ASP 152 Ca -0.17 1.18 0.00 0.00 0.71 0.00 0.00 54.79 56.51 1agj n ASP 152 Cb 0.58 -1.47 0.00 0.00 -0.02 0.00 0.00 41.12 40.21 1agj n ASP 152 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1agj n GLY 153 N 1.36 3.05 3.70 0.44 0.00 -0.03 -4.97 105.19 108.74 1agj n GLY 153 Ca 0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 1agj n GLY 153 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1agj n ASP 154 N 0.00 3.21 -4.73 1.61 8.00 -0.26 -4.56 116.55 119.81 1agj n ASP 154 Ca 0.00 1.15 -0.35 0.00 0.71 0.00 0.00 54.79 56.29 1agj n ASP 154 Cb 0.00 -1.50 -0.08 0.00 -0.02 0.00 0.00 41.12 39.52 1agj n ASP 154 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1agj s LYS 155 N -0.51 3.77 0.28 -1.24 1.02 -1.26 -0.77 119.74 121.04 1agj s LYS 155 Ca 0.66 -0.27 0.02 0.00 0.02 0.00 0.00 55.97 56.41 1agj s LYS 155 Cb -0.58 -3.21 -0.04 0.00 -0.52 0.00 0.00 37.83 33.48 1agj s LYS 155 CO 0.50 0.46 0.15 -0.51 -0.92 0.00 0.00 175.35 175.03 1agj s LEU 156 N -0.15 1.60 -0.20 3.17 1.43 -0.14 -4.88 118.68 119.51 1agj s LEU 156 Ca 0.09 -1.51 -0.04 0.00 -1.03 0.00 0.00 54.13 51.63 1agj s LEU 156 Cb -0.12 0.21 -0.01 0.00 0.03 0.00 0.00 46.19 46.30 1agj s LEU 156 CO 0.01 -0.86 -0.04 -1.61 0.23 0.00 0.00 176.35 174.07 1agj s GLU 157 N -3.88 3.46 -0.22 1.70 0.41 -0.65 -0.97 118.70 118.55 1agj s GLU 157 Ca 0.37 -0.60 -0.08 0.00 -0.41 0.00 0.00 54.97 54.25 1agj s GLU 157 Cb 0.06 -2.97 -0.04 0.00 -1.78 0.00 0.00 34.13 29.40 1agj s GLU 157 CO 0.17 -0.06 0.09 -1.17 -0.49 0.00 0.00 175.26 173.79 1agj s LEU 158 N 1.13 3.69 -0.12 1.80 0.20 0.11 -0.22 118.68 125.27 1agj s LEU 158 Ca 0.02 -0.05 0.03 0.00 0.69 0.00 0.00 54.13 54.81 1agj s LEU 158 Cb -0.15 -1.97 0.01 0.00 -0.43 0.00 0.00 46.19 43.65 1agj s LEU 158 CO -0.00 0.05 -0.22 -0.63 -0.29 0.00 0.00 176.35 175.26 1agj s ILE 159 N 1.10 1.96 0.00 6.68 1.01 0.51 -0.18 121.20 132.28 1agj s ILE 159 Ca 0.05 -0.94 0.00 0.00 0.00 0.00 0.00 60.65 59.76 1agj s ILE 159 Cb -0.14 -1.73 0.00 0.00 0.01 0.00 0.00 42.46 40.60 1agj s ILE 159 CO 0.04 0.53 0.00 0.61 0.00 0.00 0.00 174.94 176.12 1agj n GLY 160 N 3.90 1.49 3.08 6.18 0.00 -0.76 -1.68 105.19 117.41 1agj n GLY 160 Ca -0.20 -0.75 -0.35 0.00 0.00 0.00 0.00 46.02 44.72 1agj n GLY 160 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1agj s TYR 161 N -3.49 3.52 -1.23 1.61 1.51 -1.26 -0.85 117.35 117.17 1agj s TYR 161 Ca 0.00 -2.66 -0.17 0.00 -1.01 0.00 0.00 57.07 53.23 1agj s TYR 161 Cb 0.00 -3.13 -0.03 0.00 -0.11 0.00 0.00 41.96 38.69 1agj s TYR 161 CO 0.00 -0.91 2.13 -0.35 -1.11 0.00 0.00 175.55 175.31 1agj n PRO 162 N 4.09 2.40 -0.31 -1.71 -0.04 -1.26 -3.40 135.00 134.76 1agj n PRO 162 Ca 0.02 -2.35 0.09 0.00 -0.04 0.00 0.00 63.50 61.22 1agj n PRO 162 Cb 0.39 -3.17 0.20 0.00 -0.04 0.00 0.00 33.50 30.89 1agj n PRO 162 CO 0.00 0.00 0.00 0.35 -0.04 0.00 0.00 175.50 175.81 1agj h PHE 163 N 6.64 -0.16 0.00 0.54 3.04 -1.82 0.32 116.94 125.50 1agj h PHE 163 Ca 0.52 0.07 0.00 0.00 3.98 0.00 0.00 57.97 62.54 1agj h PHE 163 Cb 0.65 0.21 0.00 0.00 2.56 0.00 0.00 35.95 39.37 1agj h PHE 163 CO 1.39 -0.35 0.00 -0.44 -2.02 0.00 0.00 178.31 176.89 1agj h ASP 164 N 0.04 0.00 0.00 0.41 5.19 -1.93 -3.08 116.42 117.06 1agj h ASP 164 Ca 0.49 0.00 -0.17 0.00 -0.62 0.00 0.00 57.03 56.73 1agj h ASP 164 Cb 0.90 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.39 1agj h ASP 164 CO -0.83 0.00 -1.41 1.57 -3.12 0.00 0.00 179.24 175.44 1agj n HIS 165 N -2.73 0.28 -3.76 4.55 -0.00 0.10 -4.98 115.22 108.68 1agj n HIS 165 Ca -0.01 0.12 -0.14 0.00 -0.00 0.00 0.00 57.72 57.68 1agj n HIS 165 Cb 0.11 -0.76 -0.15 0.00 -0.00 0.00 0.00 29.99 29.18 1agj n HIS 165 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.34 176.49 1agj s LYS 166 N -2.62 0.04 0.06 1.57 -0.14 -0.41 -5.13 119.74 113.11 1agj s LYS 166 Ca -0.30 0.30 -0.30 0.00 -1.36 0.00 0.00 55.97 54.31 1agj s LYS 166 Cb 0.07 -0.21 -0.05 0.00 -1.68 0.00 0.00 37.83 35.97 1agj s LYS 166 CO 0.43 -0.17 1.03 0.08 -0.76 0.00 0.00 175.35 175.97 1agj s VAL 167 N 1.13 4.50 -1.48 3.17 1.01 -1.23 -3.63 120.40 123.88 1agj s VAL 167 Ca -0.09 1.89 -0.12 0.00 0.00 0.00 0.00 61.98 63.67 1agj s VAL 167 Cb -0.12 -4.21 0.06 0.00 0.00 0.00 0.00 36.38 32.11 1agj s VAL 167 CO -0.05 0.20 1.02 0.59 0.00 0.00 0.00 175.10 176.86 1agj n ASN 168 N 3.46 -4.94 -3.79 3.32 3.02 -1.26 -4.46 115.26 110.62 1agj n ASN 168 Ca 0.05 -0.73 -0.28 0.00 -0.03 0.00 0.00 54.58 53.59 1agj n ASN 168 Cb 0.49 -4.16 -0.16 0.00 -0.61 0.00 0.00 39.78 35.34 1agj n ASN 168 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1agj s GLN 169 N -6.51 0.91 0.22 3.52 -0.21 -1.25 -1.10 119.66 115.24 1agj s GLN 169 Ca 0.61 -0.60 -0.31 0.00 0.02 0.00 0.00 55.36 55.07 1agj s GLN 169 Cb -0.30 -2.23 -0.11 0.00 1.00 0.00 0.00 33.01 31.38 1agj s GLN 169 CO 0.81 -0.65 1.55 1.41 -2.12 0.00 0.00 175.29 176.29 1agj s MET 170 N 1.73 4.20 0.11 2.91 -2.45 -1.26 -4.29 119.30 120.25 1agj s MET 170 Ca -0.02 2.42 0.03 0.00 -1.25 0.00 0.00 55.69 56.87 1agj s MET 170 Cb -0.18 -3.11 -0.04 0.00 1.25 0.00 0.00 34.83 32.76 1agj s MET 170 CO -0.08 -0.58 -0.09 -1.01 1.05 0.00 0.00 175.02 174.31 1agj s HIS 171 N 0.59 1.07 0.04 4.11 3.76 -0.03 -1.09 115.29 123.74 1agj s HIS 171 Ca 0.66 -0.75 0.08 0.00 -0.15 0.00 0.00 55.06 54.89 1agj s HIS 171 Cb -0.45 -0.58 -0.03 0.00 1.11 0.00 0.00 32.58 32.63 1agj s HIS 171 CO 0.38 -0.02 -0.20 -0.98 -0.85 0.00 0.00 174.74 173.08 1agj s ARG 172 N -3.34 2.01 -0.05 1.40 1.70 0.14 -1.82 118.95 119.00 1agj s ARG 172 Ca 0.10 -1.01 0.03 0.00 -0.47 0.00 0.00 55.73 54.38 1agj s ARG 172 Cb 0.01 -2.14 0.01 0.00 -0.57 0.00 0.00 34.95 32.25 1agj s ARG 172 CO -0.01 0.53 -0.12 -1.12 -1.08 0.00 0.00 175.30 173.50 1agj s SER 173 N -1.40 1.71 -0.01 -2.89 0.01 0.75 -1.69 113.70 110.17 1agj s SER 173 Ca 0.14 -0.28 -0.25 0.00 1.31 0.00 0.00 55.95 56.87 1agj s SER 173 Cb -0.10 -0.63 -0.04 0.00 0.21 0.00 0.00 66.02 65.45 1agj s SER 173 CO 0.05 0.07 0.76 -0.70 0.41 0.00 0.00 173.24 173.83 1agj s GLU 174 N 0.39 4.48 0.20 12.44 2.12 -0.22 -0.71 118.70 137.39 1agj s GLU 174 Ca -0.09 1.03 0.11 0.00 0.36 0.00 0.00 54.97 56.38 1agj s GLU 174 Cb -0.13 -3.41 -0.04 0.00 0.26 0.00 0.00 34.13 30.80 1agj s GLU 174 CO 0.02 0.14 -0.23 0.96 -0.54 0.00 0.00 175.26 175.61 1agj s ILE 175 N 0.46 2.35 -0.15 -3.70 -4.36 -0.14 -4.50 121.20 111.15 1agj s ILE 175 Ca 0.40 -2.07 0.00 0.00 -0.26 0.00 0.00 60.65 58.72 1agj s ILE 175 Cb -0.19 -2.14 0.03 0.00 1.25 0.00 0.00 42.46 41.41 1agj s ILE 175 CO 0.21 -0.16 -0.10 -0.70 0.24 0.00 0.00 174.94 174.44 1agj s GLU 176 N -2.77 1.90 0.60 0.37 2.12 -0.16 -0.97 118.70 119.79 1agj s GLU 176 Ca 0.22 -0.54 -0.19 0.00 0.36 0.00 0.00 54.97 54.82 1agj s GLU 176 Cb -0.07 -2.03 -0.03 0.00 0.26 0.00 0.00 34.13 32.25 1agj s GLU 176 CO 0.10 -0.32 1.25 -0.51 -0.54 0.00 0.00 175.26 175.25 1agj s LEU 177 N 1.55 3.68 0.07 2.70 1.43 0.05 -0.34 118.68 127.82 1agj s LEU 177 Ca 0.03 2.51 -0.17 0.00 -1.03 0.00 0.00 54.13 55.47 1agj s LEU 177 Cb -0.14 -4.54 0.03 0.00 0.03 0.00 0.00 46.19 41.57 1agj s LEU 177 CO -0.09 -1.69 0.39 0.28 0.23 0.00 0.00 176.35 175.47 1agj s THR 178 N -1.49 0.07 -0.27 5.49 -1.32 0.11 -0.85 115.64 117.39 1agj s THR 178 Ca 0.78 -0.55 -0.02 0.00 -1.21 0.00 0.00 61.69 60.68 1agj s THR 178 Cb -0.34 -1.04 0.00 0.00 -1.51 0.00 0.00 72.50 69.61 1agj s THR 178 CO 0.37 -0.30 0.18 0.35 -2.21 0.00 0.00 174.62 173.01 1agj n THR 179 N 0.24 -0.88 1.04 5.08 -2.24 -1.26 -4.00 114.28 112.26 1agj n THR 179 Ca -0.18 -0.04 0.10 0.00 -2.27 0.00 0.00 64.05 61.66 1agj n THR 179 Cb 0.61 -0.78 0.53 0.00 -2.10 0.00 0.00 70.33 68.59 1agj n THR 179 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1agj n LEU 180 N -1.35 0.00 -0.06 3.22 4.77 -1.26 -2.16 117.00 120.15 1agj n LEU 180 Ca -0.08 0.20 -0.04 0.00 -0.03 0.00 0.00 56.01 56.06 1agj n LEU 180 Cb 0.19 -0.20 0.17 0.00 -2.33 0.00 0.00 43.42 41.25 1agj n LEU 180 CO 0.19 -0.07 0.82 0.77 -1.33 0.00 0.00 177.39 177.77 1agj h SER 181 N 0.00 0.67 -1.84 -1.43 4.64 -2.01 -3.02 113.55 110.57 1agj h SER 181 Ca 0.00 -0.19 -0.73 0.00 -0.47 0.00 0.00 61.79 60.40 1agj h SER 181 Cb 0.13 -0.18 -0.30 0.00 -0.31 0.00 0.00 62.40 61.75 1agj h SER 181 CO 0.00 0.81 0.77 -2.11 -0.87 0.00 0.00 176.83 175.42 1agj n ARG 182 N -4.18 2.86 0.00 4.77 1.85 -0.92 -5.04 116.66 115.99 1agj n ARG 182 Ca 0.01 -3.65 0.00 0.00 -1.00 0.00 0.00 57.85 53.21 1agj n ARG 182 Cb 0.34 -2.27 0.00 0.00 -1.05 0.00 0.00 32.46 29.48 1agj n ARG 182 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1agj n GLY 183 N -0.56 -0.97 3.55 2.89 0.00 -1.14 -4.71 105.19 104.25 1agj n GLY 183 Ca 0.52 -1.66 -0.37 0.00 0.00 0.00 0.00 46.02 44.51 1agj n GLY 183 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1agj s LEU 184 N -2.46 3.25 0.06 0.99 2.96 -1.26 -4.14 118.68 118.08 1agj s LEU 184 Ca 0.00 -0.16 0.09 0.00 -0.22 0.00 0.00 54.13 53.84 1agj s LEU 184 Cb 0.00 -2.54 -0.03 0.00 0.50 0.00 0.00 46.19 44.12 1agj s LEU 184 CO 0.00 -2.25 -0.25 -0.13 -1.32 0.00 0.00 176.35 172.40 1agj s ARG 185 N 6.57 1.66 0.05 1.98 0.52 -1.26 -0.82 118.95 127.66 1agj s ARG 185 Ca 0.59 -1.11 -0.27 0.00 -0.52 0.00 0.00 55.73 54.42 1agj s ARG 185 Cb -0.09 -1.87 0.08 0.00 0.52 0.00 0.00 34.95 33.59 1agj s ARG 185 CO 0.13 0.48 0.70 1.52 0.02 0.00 0.00 175.30 178.15 1agj s TYR 186 N -0.84 -0.53 0.34 -0.53 -0.85 -0.73 -0.71 117.35 113.51 1agj s TYR 186 Ca 0.11 0.58 -0.15 0.00 -0.52 0.00 0.00 57.07 57.09 1agj s TYR 186 Cb -0.10 0.50 -0.09 0.00 0.38 0.00 0.00 41.96 42.66 1agj s TYR 186 CO 0.02 -0.69 0.76 0.71 -1.52 0.00 0.00 175.55 174.83 1agj s TYR 187 N -2.66 3.38 0.00 -3.49 2.02 0.53 -2.17 117.35 114.96 1agj s TYR 187 Ca -0.02 1.23 0.00 0.00 -0.37 0.00 0.00 57.07 57.91 1agj s TYR 187 Cb -0.01 -2.55 0.00 0.00 -0.40 0.00 0.00 41.96 39.00 1agj s TYR 187 CO -0.04 0.05 0.00 0.41 -1.57 0.00 0.00 175.55 174.40 1agj n GLY 188 N -0.52 3.47 3.70 0.71 0.00 -1.26 -0.98 105.19 110.30 1agj n GLY 188 Ca 0.04 -1.01 -0.38 0.00 0.00 0.00 0.00 46.02 44.66 1agj n GLY 188 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1agj s PHE 189 N -2.00 3.45 0.11 1.61 5.36 -1.26 -4.91 117.98 120.33 1agj s PHE 189 Ca 0.00 0.80 -0.12 0.00 -0.96 0.00 0.00 56.93 56.65 1agj s PHE 189 Cb 0.00 -2.57 0.01 0.00 -0.34 0.00 0.00 43.02 40.12 1agj s PHE 189 CO 0.00 0.06 0.29 0.95 -1.46 0.00 0.00 175.22 175.06 1agj s THR 190 N 1.02 0.11 0.24 0.12 -4.23 -1.26 -4.82 115.64 106.81 1agj s THR 190 Ca 0.24 -0.92 0.02 0.00 -1.18 0.00 0.00 61.69 59.84 1agj s THR 190 Cb -0.15 -1.28 -0.05 0.00 1.34 0.00 0.00 72.50 72.36 1agj s THR 190 CO 0.09 -0.49 0.06 0.68 -0.54 0.00 0.00 174.62 174.42 1agj s VAL 191 N -3.84 0.68 0.32 2.29 -7.23 -1.26 -5.02 120.40 106.33 1agj s VAL 191 Ca 0.04 -2.00 0.09 0.00 -1.81 0.00 0.00 61.98 58.30 1agj s VAL 191 Cb 0.03 -2.47 0.31 0.00 0.56 0.00 0.00 36.38 34.81 1agj s VAL 191 CO -0.11 -0.16 1.71 -0.65 -0.31 0.00 0.00 175.10 175.58 1agj h PRO 192 N 2.46 0.48 -0.03 4.82 0.11 -1.97 0.94 132.00 138.82 1agj h PRO 192 Ca -0.38 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 65.71 1agj h PRO 192 Cb 1.23 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 1agj h PRO 192 CO 0.62 0.32 0.04 0.78 -0.21 0.00 0.00 178.00 179.55 1agj h GLY 193 N 0.49 0.00 1.86 -0.55 0.00 -1.80 -1.05 103.07 102.02 1agj h GLY 193 Ca 0.64 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.97 1agj h GLY 193 CO -0.51 0.00 0.00 0.70 0.00 0.00 0.00 176.54 176.73 1agj n ASN 194 N -3.53 0.00 -4.66 0.19 4.13 0.32 -2.94 115.26 108.77 1agj n ASN 194 Ca -0.02 0.37 -0.49 0.00 1.68 0.00 0.00 54.58 56.12 1agj n ASN 194 Cb 0.13 -0.43 -0.05 0.00 -1.54 0.00 0.00 39.78 37.89 1agj n ASN 194 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1agj n SER 195 N -1.43 2.86 0.00 6.41 7.64 -0.40 -0.56 113.62 128.14 1agj n SER 195 Ca 0.04 1.06 0.00 0.00 1.01 0.00 0.00 58.87 60.98 1agj n SER 195 Cb 0.14 -1.34 0.00 0.00 -1.01 0.00 0.00 64.21 62.00 1agj n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1agj n GLY 196 N 3.60 0.62 3.77 0.23 0.00 -0.44 -0.80 105.19 112.17 1agj n GLY 196 Ca 0.20 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 1agj n GLY 196 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1agj s SER 197 N -2.98 6.11 0.22 1.61 0.01 0.28 -3.60 113.70 115.35 1agj s SER 197 Ca 0.00 2.73 -0.24 0.00 1.31 0.00 0.00 55.95 59.74 1agj s SER 197 Cb 0.00 -2.64 -0.09 0.00 0.21 0.00 0.00 66.02 63.50 1agj s SER 197 CO 0.00 -1.00 0.81 -0.83 0.41 0.00 0.00 173.24 172.63 1agj s GLY 198 N -0.71 2.83 -0.23 3.44 0.00 -0.68 -0.53 107.32 111.45 1agj s GLY 198 Ca 0.59 0.36 -0.03 0.00 0.00 0.00 0.00 44.72 45.65 1agj s GLY 198 CO 0.50 0.82 -0.06 -0.42 0.00 0.00 0.00 173.10 173.95 1agj s ILE 199 N -1.35 3.11 0.05 0.90 1.01 -0.19 -0.37 121.20 124.37 1agj s ILE 199 Ca 0.41 -0.73 0.08 0.00 0.00 0.00 0.00 60.65 60.41 1agj s ILE 199 Cb -0.21 -2.48 -0.03 0.00 0.01 0.00 0.00 42.46 39.75 1agj s ILE 199 CO 0.25 0.33 -0.22 -0.36 0.00 0.00 0.00 174.94 174.95 1agj s PHE 200 N 1.41 2.46 0.73 3.97 0.40 0.69 -0.34 117.98 127.29 1agj s PHE 200 Ca 0.04 -0.32 -0.01 0.00 -0.60 0.00 0.00 56.93 56.04 1agj s PHE 200 Cb -0.15 -1.42 0.13 0.00 0.51 0.00 0.00 43.02 42.09 1agj s PHE 200 CO -0.04 0.22 1.00 0.54 0.70 0.00 0.00 175.22 177.64 1agj s ASN 201 N -1.46 4.31 0.22 1.36 2.20 -0.73 -1.63 114.94 119.20 1agj s ASN 201 Ca 0.14 -0.38 0.19 0.00 -0.94 0.00 0.00 52.86 51.87 1agj s ASN 201 Cb -0.10 0.02 0.89 0.00 -2.00 0.00 0.00 41.25 40.05 1agj s ASN 201 CO 0.04 -1.89 1.58 -1.54 -2.94 0.00 0.00 177.10 172.35 1agj n SER 202 N -2.86 0.47 -0.45 3.54 3.41 -1.26 -1.38 113.62 115.09 1agj n SER 202 Ca 0.15 0.66 0.10 0.00 -0.26 0.00 0.00 58.87 59.52 1agj n SER 202 Cb 0.61 -0.74 0.40 0.00 -0.26 0.00 0.00 64.21 64.21 1agj n SER 202 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1agj n ASN 203 N -2.07 1.35 -0.25 4.04 5.03 -1.26 -4.89 115.26 117.21 1agj n ASN 203 Ca 0.01 -1.66 -0.03 0.00 0.87 0.00 0.00 54.58 53.76 1agj n ASN 203 Cb 0.13 -0.09 -0.01 0.00 -1.02 0.00 0.00 39.78 38.79 1agj n ASN 203 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1agj n GLY 204 N 1.06 0.63 3.84 7.41 0.00 -0.48 -5.02 105.19 112.63 1agj n GLY 204 Ca 0.16 -0.59 -0.37 0.00 0.00 0.00 0.00 46.02 45.21 1agj n GLY 204 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1agj s GLU 205 N -1.80 3.81 -0.22 1.61 2.02 -1.26 -4.26 118.70 118.60 1agj s GLU 205 Ca 0.00 0.20 -0.29 0.00 0.02 0.00 0.00 54.97 54.90 1agj s GLU 205 Cb 0.00 -3.24 0.00 0.00 0.10 0.00 0.00 34.13 30.99 1agj s GLU 205 CO 0.00 0.66 1.15 -1.17 0.02 0.00 0.00 175.26 175.92 1agj s LEU 206 N -0.86 4.09 0.00 1.80 2.96 0.11 -1.77 118.68 125.02 1agj s LEU 206 Ca 0.20 1.45 0.08 0.00 -0.22 0.00 0.00 54.13 55.64 1agj s LEU 206 Cb -0.15 -3.54 -0.08 0.00 0.50 0.00 0.00 46.19 42.92 1agj s LEU 206 CO 0.09 -0.77 0.34 1.33 -1.32 0.00 0.00 176.35 176.02 1agj n VAL 207 N 5.48 0.00 -3.71 1.68 0.24 0.54 -0.29 118.33 122.28 1agj n VAL 207 Ca 0.13 -0.32 -0.01 0.00 -2.04 0.00 0.00 64.34 62.11 1agj n VAL 207 Cb 0.46 1.00 -0.01 0.00 -1.47 0.00 0.00 33.84 33.82 1agj n VAL 207 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1agj s GLY 208 N -1.73 -0.29 -0.06 7.63 0.00 -1.19 -0.58 107.32 111.10 1agj s GLY 208 Ca 0.03 0.37 0.02 0.00 0.00 0.00 0.00 44.72 45.14 1agj s GLY 208 CO 0.32 0.49 -0.12 -0.42 0.00 0.00 0.00 173.10 173.37 1agj s ILE 209 N -2.72 1.07 0.43 0.90 -1.09 0.06 -1.02 121.20 118.83 1agj s ILE 209 Ca 0.15 -0.45 -0.25 0.00 -2.23 0.00 0.00 60.65 57.87 1agj s ILE 209 Cb 0.02 -0.98 -0.08 0.00 -1.58 0.00 0.00 42.46 39.84 1agj s ILE 209 CO -0.01 0.34 1.26 -2.28 -1.23 0.00 0.00 174.94 173.02 1agj s HIS 210 N 0.61 2.79 0.06 3.97 5.65 0.31 -0.31 115.29 128.38 1agj s HIS 210 Ca -0.13 1.45 -0.00 0.00 0.25 0.00 0.00 55.06 56.63 1agj s HIS 210 Cb -0.15 -3.59 -0.00 0.00 -1.18 0.00 0.00 32.58 27.66 1agj s HIS 210 CO 0.03 -1.96 -0.00 0.45 -0.65 0.00 0.00 174.74 172.60 1agj n SER 211 N -0.16 0.72 -0.20 9.88 2.88 -0.08 -1.32 113.62 125.34 1agj n SER 211 Ca 0.05 0.09 0.00 0.00 -1.33 0.00 0.00 58.87 57.69 1agj n SER 211 Cb 0.45 -0.22 0.00 0.00 -0.75 0.00 0.00 64.21 63.69 1agj n SER 211 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1agj n SER 212 N -3.15 0.00 -4.53 -3.46 3.41 -0.66 -4.55 113.62 100.67 1agj n SER 212 Ca -0.00 -0.20 -0.32 0.00 -0.26 0.00 0.00 58.87 58.09 1agj n SER 212 Cb 0.01 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 63.84 1agj n SER 212 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1agj s LYS 213 N 0.41 2.48 0.12 4.33 1.02 -1.26 0.74 119.74 127.59 1agj s LYS 213 Ca 0.00 -0.73 0.02 0.00 0.02 0.00 0.00 55.97 55.28 1agj s LYS 213 Cb 0.00 -2.42 -0.04 0.00 -0.52 0.00 0.00 37.83 34.84 1agj s LYS 213 CO 0.00 0.61 -0.05 0.14 -0.92 0.00 0.00 175.35 175.13 1agj s VAL 214 N -0.88 0.75 0.60 3.17 -7.23 -0.38 -4.90 120.40 111.53 1agj s VAL 214 Ca 0.14 -1.96 -0.19 0.00 -1.81 0.00 0.00 61.98 58.15 1agj s VAL 214 Cb -0.11 -1.82 -0.03 0.00 0.56 0.00 0.00 36.38 34.98 1agj s VAL 214 CO 0.04 -0.75 1.30 -0.94 -0.31 0.00 0.00 175.10 174.44 1agj s SER 215 N -3.09 4.92 -0.07 4.85 1.04 -1.26 -1.20 113.70 118.88 1agj s SER 215 Ca 0.16 2.64 -0.04 0.00 0.48 0.00 0.00 55.95 59.19 1agj s SER 215 Cb 0.05 -2.62 0.03 0.00 0.10 0.00 0.00 66.02 63.58 1agj s SER 215 CO -0.02 -1.79 0.16 -2.28 0.98 0.00 0.00 173.24 170.29 1agj s HIS 216 N -1.39 -0.19 0.00 5.02 5.04 0.19 -4.68 115.29 119.28 1agj s HIS 216 Ca 0.78 0.51 0.00 0.00 -1.54 0.00 0.00 55.06 54.81 1agj s HIS 216 Cb -0.37 -0.03 0.00 0.00 0.04 0.00 0.00 32.58 32.22 1agj s HIS 216 CO 0.41 -0.16 0.00 1.28 -2.34 0.00 0.00 174.74 173.94 1agj n LEU 217 N 3.92 0.00 0.00 8.88 4.77 -1.26 -4.21 117.00 129.10 1agj n LEU 217 Ca -0.23 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 55.69 1agj n LEU 217 Cb 0.54 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.61 1agj n LEU 217 CO 0.18 0.00 0.01 -0.90 -1.33 0.00 0.00 177.39 175.35 1agj n ASP 218 N 2.41 -0.36 0.00 -1.43 5.68 -1.26 -4.62 116.55 116.98 1agj n ASP 218 Ca 0.00 -1.73 0.15 0.00 -0.50 0.00 0.00 54.79 52.70 1agj n ASP 218 Cb 0.00 0.73 0.74 0.00 -1.14 0.00 0.00 41.12 41.45 1agj n ASP 218 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1agj n ARG 219 N -0.22 0.39 -0.06 0.11 5.12 -1.26 -3.68 116.66 117.06 1agj n ARG 219 Ca 0.02 0.00 0.08 0.00 -1.93 0.00 0.00 57.85 56.02 1agj n ARG 219 Cb 0.21 -1.50 0.10 0.00 -1.16 0.00 0.00 32.46 30.11 1agj n ARG 219 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 1agj n GLU 220 N -1.30 1.53 -4.43 5.56 1.02 -1.26 -4.96 120.64 116.79 1agj n GLU 220 Ca 0.14 -1.61 -0.22 0.00 -0.02 0.00 0.00 57.16 55.45 1agj n GLU 220 Cb 0.25 -1.31 -0.10 0.00 -0.02 0.00 0.00 31.44 30.25 1agj n GLU 220 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1agj s HIS 221 N -1.22 1.98 0.23 -0.32 3.76 -1.24 -5.05 115.29 113.43 1agj s HIS 221 Ca 0.21 -0.67 -0.02 0.00 -0.15 0.00 0.00 55.06 54.44 1agj s HIS 221 Cb 0.14 -1.11 -0.03 0.00 1.11 0.00 0.00 32.58 32.68 1agj s HIS 221 CO 0.20 0.32 0.22 1.14 -0.85 0.00 0.00 174.74 175.77 1agj s GLN 222 N -3.71 1.35 0.16 1.40 -2.07 -1.26 -0.64 119.66 114.89 1agj s GLN 222 Ca 0.29 -1.61 -0.13 0.00 -1.82 0.00 0.00 55.36 52.09 1agj s GLN 222 Cb 0.03 0.32 0.01 0.00 -1.09 0.00 0.00 33.01 32.28 1agj s GLN 222 CO 0.12 -0.48 0.38 -1.50 -1.32 0.00 0.00 175.29 172.49 1agj s ILE 223 N -4.01 0.06 0.38 3.63 1.10 -0.34 -4.67 121.20 117.35 1agj s ILE 223 Ca 0.36 -0.97 -0.24 0.00 -0.51 0.00 0.00 60.65 59.29 1agj s ILE 223 Cb 0.05 -1.54 -0.10 0.00 0.15 0.00 0.00 42.46 41.02 1agj s ILE 223 CO 0.14 -0.29 0.95 0.20 -2.11 0.00 0.00 174.94 173.83 1agj s ASN 224 N -2.89 7.11 -0.03 4.50 0.01 -0.92 -1.25 114.94 121.47 1agj s ASN 224 Ca 0.10 1.78 0.03 0.00 -0.71 0.00 0.00 52.86 54.06 1agj s ASN 224 Cb 0.02 -2.56 -0.00 0.00 0.41 0.00 0.00 41.25 39.12 1agj s ASN 224 CO -0.05 -0.24 -0.12 -0.47 -1.51 0.00 0.00 177.10 174.72 1agj s TYR 225 N -1.88 1.17 0.24 2.20 5.04 0.23 -1.77 117.35 122.58 1agj s TYR 225 Ca 0.56 -0.29 0.01 0.00 -2.44 0.00 0.00 57.07 54.91 1agj s TYR 225 Cb -0.14 -0.80 -0.05 0.00 0.35 0.00 0.00 41.96 41.32 1agj s TYR 225 CO 0.19 -0.10 0.11 0.20 -1.34 0.00 0.00 175.55 174.61 1agj s GLY 226 N 0.07 1.66 -0.26 8.97 0.00 0.00 -0.90 107.32 116.86 1agj s GLY 226 Ca -0.02 -1.81 -0.08 0.00 0.00 0.00 0.00 44.72 42.81 1agj s GLY 226 CO 0.01 -1.53 0.09 0.14 0.00 0.00 0.00 173.10 171.80 1agj s VAL 227 N -3.88 4.36 0.55 1.40 1.01 0.58 -3.98 120.40 120.45 1agj s VAL 227 Ca 0.38 -0.22 -0.16 0.00 0.00 0.00 0.00 61.98 61.98 1agj s VAL 227 Cb 0.07 -3.08 -0.06 0.00 0.00 0.00 0.00 36.38 33.32 1agj s VAL 227 CO 0.13 0.29 1.02 -0.83 0.00 0.00 0.00 175.10 175.71 1agj s GLY 228 N 1.61 2.07 -1.23 4.51 0.00 -1.26 -0.76 107.32 112.26 1agj s GLY 228 Ca 0.06 0.26 -0.15 0.00 0.00 0.00 0.00 44.72 44.88 1agj s GLY 228 CO 0.04 0.55 1.54 -0.42 0.00 0.00 0.00 173.10 174.81 1agj s ILE 229 N -2.58 4.69 0.26 0.90 -1.09 0.26 -4.85 121.20 118.79 1agj s ILE 229 Ca 0.61 -2.34 -0.03 0.00 -2.23 0.00 0.00 60.65 56.66 1agj s ILE 229 Cb -0.12 -5.01 0.06 0.00 -1.58 0.00 0.00 42.46 35.80 1agj s ILE 229 CO 0.35 -1.77 0.36 0.61 -1.23 0.00 0.00 174.94 173.26 1agj n GLY 230 N 4.63 -0.27 0.21 6.18 0.00 -1.26 -1.68 105.19 112.99 1agj n GLY 230 Ca 0.41 -1.83 -0.03 0.00 0.00 0.00 0.00 46.02 44.57 1agj n GLY 230 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1agj h ASN 231 N -0.37 0.22 -0.06 1.61 2.35 -1.99 0.43 115.58 117.77 1agj h ASN 231 Ca -0.12 0.06 -0.01 0.00 -0.55 0.00 0.00 56.30 55.68 1agj h ASN 231 Cb 0.37 0.03 -0.00 0.00 0.05 0.00 0.00 38.32 38.77 1agj h ASN 231 CO 0.10 0.15 -0.01 0.22 -1.65 0.00 0.00 177.43 176.24 1agj h TYR 232 N 0.39 0.13 -0.56 1.19 3.20 -1.97 -1.27 116.97 118.08 1agj h TYR 232 Ca 0.25 -0.03 -0.00 0.00 3.14 0.00 0.00 58.73 62.09 1agj h TYR 232 Cb 0.26 -0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.47 1agj h TYR 232 CO -0.15 0.45 0.33 0.28 -1.64 0.00 0.00 178.16 177.42 1agj h VAL 233 N -0.22 1.17 -0.90 1.81 2.07 -1.85 -1.14 116.25 117.19 1agj h VAL 233 Ca 0.02 -0.38 -0.01 0.00 0.82 0.00 0.00 66.70 67.14 1agj h VAL 233 Cb 0.40 0.42 -0.04 0.00 -1.52 0.00 0.00 31.29 30.55 1agj h VAL 233 CO 0.01 0.17 0.53 0.50 0.02 0.00 0.00 177.57 178.80 1agj h LYS 234 N 0.75 1.23 -0.42 1.57 1.63 -0.89 -0.52 116.57 119.92 1agj h LYS 234 Ca 0.20 -0.12 -0.01 0.00 -0.85 0.00 0.00 60.65 59.87 1agj h LYS 234 Cb -0.01 -0.25 -0.02 0.00 -0.60 0.00 0.00 32.23 31.35 1agj h LYS 234 CO -0.04 0.87 0.23 -0.09 -3.45 0.00 0.00 179.45 176.97 1agj h ARG 235 N 1.24 0.58 -0.31 1.90 2.43 -0.52 -1.52 114.38 118.18 1agj h ARG 235 Ca 0.32 -0.07 -0.12 0.00 -0.81 0.00 0.00 59.98 59.30 1agj h ARG 235 Cb -0.03 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.39 1agj h ARG 235 CO -0.06 0.47 -0.30 0.82 -1.51 0.00 0.00 179.97 179.39 1agj h ILE 236 N 0.54 1.28 -0.10 1.20 1.08 -0.82 -2.27 117.51 118.42 1agj h ILE 236 Ca 0.15 -1.42 -0.00 0.00 -0.39 0.00 0.00 64.86 63.20 1agj h ILE 236 Cb 0.06 1.37 -0.01 0.00 -3.07 0.00 0.00 36.82 35.17 1agj h ILE 236 CO -0.02 0.46 0.06 0.40 -0.69 0.00 0.00 178.15 178.36 1agj h ILE 237 N 0.55 1.07 -0.73 -0.67 2.04 -0.85 0.77 117.51 119.70 1agj h ILE 237 Ca 0.07 -0.19 0.03 0.00 1.00 0.00 0.00 64.86 65.77 1agj h ILE 237 Cb 0.79 1.01 -0.04 0.00 -0.74 0.00 0.00 36.82 37.84 1agj h ILE 237 CO 0.07 0.06 0.48 0.78 0.00 0.00 0.00 178.15 179.54 1agj h ASN 238 N 0.09 0.77 0.83 1.72 2.35 -1.14 0.65 115.58 120.86 1agj h ASN 238 Ca 0.04 -0.01 -0.23 0.00 -0.55 0.00 0.00 56.30 55.54 1agj h ASN 238 Cb 0.05 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.22 1agj h ASN 238 CO -0.01 0.54 -1.08 1.05 -1.65 0.00 0.00 177.43 176.28 1agj h GLU 239 N 0.90 0.11 -0.00 0.81 4.11 -1.01 -3.36 114.58 116.14 1agj h GLU 239 Ca 0.29 -0.19 0.00 0.00 0.07 0.00 0.00 59.36 59.53 1agj h GLU 239 Cb 0.03 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.35 1agj h GLU 239 CO -0.08 1.08 -0.73 1.63 0.07 0.00 0.00 179.01 180.98 1agj n LYS 240 N -3.44 1.60 -1.82 1.06 5.02 0.23 -5.01 118.16 115.80 1agj n LYS 240 Ca -0.03 -0.09 -0.38 0.00 -2.02 0.00 0.00 58.31 55.78 1agj n LYS 240 Cb 0.96 -1.28 0.03 0.00 -0.02 0.00 0.00 35.03 34.73 1agj n LYS 240 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1agj s ASN 241 N -2.48 5.43 0.00 4.39 2.47 0.22 -5.05 114.94 119.92 1agj s ASN 241 Ca 0.07 2.75 0.00 0.00 0.42 0.00 0.00 52.86 56.10 1agj s ASN 241 Cb 0.13 -2.64 0.00 0.00 -1.45 0.00 0.00 41.25 37.29 1agj s ASN 241 CO 0.65 -1.46 0.00 -1.84 -3.72 0.00 0.00 177.10 170.72