#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fjs s VAL 17 N 0.00 5.02 0.00 1.39 1.01 0.60 -3.94 120.40 124.48 1fjs s VAL 17 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 61.98 61.88 1fjs s VAL 17 Cb 0.00 -4.05 0.00 0.00 0.00 0.00 0.00 36.38 32.33 1fjs s VAL 17 CO 0.00 -0.40 0.00 0.61 0.00 0.00 0.00 175.10 175.31 1fjs n GLY 18 N 5.03 0.12 7.00 4.51 0.00 -1.26 -1.36 105.19 119.23 1fjs n GLY 18 Ca -0.06 -1.60 0.00 0.00 0.00 0.00 0.00 46.02 44.36 1fjs n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fjs n GLY 19 N 0.00 0.95 3.18 -0.02 0.00 -1.26 -4.89 105.19 103.15 1fjs n GLY 19 Ca 0.00 -0.74 -0.11 0.00 0.00 0.00 0.00 46.02 45.18 1fjs n GLY 19 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1fjs s GLN 20 N 0.00 1.06 0.41 1.61 0.00 -0.74 -4.98 119.66 117.03 1fjs s GLN 20 Ca 0.00 -1.51 -0.25 0.00 -0.00 0.00 0.00 55.36 53.60 1fjs s GLN 20 Cb 0.00 0.26 -0.08 0.00 0.00 0.00 0.00 33.01 33.19 1fjs s GLN 20 CO 0.00 -0.33 1.18 -1.21 0.00 0.00 0.00 175.29 174.93 1fjs s GLU 21 N -4.10 4.00 -0.04 9.60 2.02 -1.26 -0.85 118.70 128.07 1fjs s GLU 21 Ca 0.31 1.84 -0.30 0.00 0.02 0.00 0.00 54.97 56.84 1fjs s GLU 21 Cb 0.07 -2.63 -0.04 0.00 0.10 0.00 0.00 34.13 31.63 1fjs s GLU 21 CO 0.06 -0.37 1.23 0.00 0.02 0.00 0.00 175.26 176.21 1fjs s LYS 23 N 2.18 2.32 -0.36 0.00 -0.14 -1.26 -4.88 119.74 117.60 1fjs s LYS 23 Ca 0.57 0.18 -0.39 0.00 -1.36 0.00 0.00 55.97 54.97 1fjs s LYS 23 Cb -0.26 -2.01 -0.15 0.00 -1.68 0.00 0.00 37.83 33.74 1fjs s LYS 23 CO 0.23 -1.34 2.00 -3.47 -0.76 0.00 0.00 175.35 172.00 1fjs n ASP 24 N -3.15 1.93 0.00 2.83 2.03 -1.26 -0.89 116.55 118.05 1fjs n ASP 24 Ca 0.07 0.74 0.00 0.00 0.52 0.00 0.00 54.79 56.12 1fjs n ASP 24 Cb 0.60 -1.13 0.00 0.00 -0.72 0.00 0.00 41.12 39.86 1fjs n ASP 24 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1fjs n GLY 25 N 5.78 0.73 0.08 0.27 0.00 -1.26 -4.95 105.19 105.85 1fjs n GLY 25 Ca 0.38 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.36 1fjs n GLY 25 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1fjs h GLU 26 N 2.09 0.00 -2.17 1.61 5.08 -1.36 -3.37 114.58 116.46 1fjs h GLU 26 Ca 0.00 0.00 -0.55 0.00 -1.00 0.00 0.00 59.36 57.81 1fjs h GLU 26 Cb 0.00 0.00 -0.41 0.00 0.50 0.00 0.00 28.75 28.84 1fjs h GLU 26 CO 0.00 0.86 -0.85 0.00 -1.00 0.00 0.00 179.01 178.02 1fjs h PRO 28 N 3.15 0.00 -0.01 0.00 0.13 -1.79 -2.40 132.00 131.08 1fjs h PRO 28 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1fjs h PRO 28 Cb 0.69 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.82 1fjs h PRO 28 CO 0.70 0.00 -0.06 -2.67 -0.23 0.00 0.00 178.00 175.74 1fjs n TRP 29 N -2.76 0.00 -2.21 1.56 2.14 -1.03 -1.60 117.44 113.54 1fjs n TRP 29 Ca -0.02 0.00 -0.42 0.00 2.07 0.00 0.00 57.50 59.14 1fjs n TRP 29 Cb 0.11 -0.03 -0.03 0.00 -0.81 0.00 0.00 31.31 30.56 1fjs n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 1fjs s GLN 30 N -2.11 4.35 0.13 -2.67 2.00 -0.91 -0.49 119.66 119.97 1fjs s GLN 30 Ca 0.34 2.04 0.10 0.00 -2.00 0.00 0.00 55.36 55.85 1fjs s GLN 30 Cb 0.21 -3.24 -0.04 0.00 0.80 0.00 0.00 33.01 30.74 1fjs s GLN 30 CO 0.37 -0.36 -0.25 0.00 -0.50 0.00 0.00 175.29 174.55 1fjs s ALA 31 N 0.76 2.27 -0.09 1.58 0.00 -0.20 -4.43 121.76 121.64 1fjs s ALA 31 Ca 0.61 -1.44 0.02 0.00 0.00 0.00 0.00 51.96 51.15 1fjs s ALA 31 Cb -0.36 -0.34 0.01 0.00 0.00 0.00 0.00 23.12 22.43 1fjs s ALA 31 CO 0.33 0.49 -0.14 -1.17 0.00 0.00 0.00 175.76 175.27 1fjs s LEU 32 N -2.10 1.64 -0.13 0.00 2.96 0.13 -1.08 118.68 120.11 1fjs s LEU 32 Ca 0.13 -0.37 -0.26 0.00 -0.22 0.00 0.00 54.13 53.40 1fjs s LEU 32 Cb -0.10 -0.98 -0.02 0.00 0.50 0.00 0.00 46.19 45.59 1fjs s LEU 32 CO 0.06 0.01 0.87 -0.76 -1.32 0.00 0.00 176.35 175.21 1fjs s LEU 33 N 0.95 4.23 -0.05 -0.68 1.43 0.01 -0.26 118.68 124.30 1fjs s LEU 33 Ca -0.08 1.30 0.05 0.00 -1.03 0.00 0.00 54.13 54.36 1fjs s LEU 33 Cb -0.15 -3.32 -0.02 0.00 0.03 0.00 0.00 46.19 42.73 1fjs s LEU 33 CO -0.00 -0.36 -0.19 0.27 0.23 0.00 0.00 176.35 176.29 1fjs s ILE 34 N 1.85 2.59 0.00 -0.59 -4.36 -0.21 -1.54 121.20 118.94 1fjs s ILE 34 Ca 0.42 -0.89 0.00 0.00 -0.26 0.00 0.00 60.65 59.92 1fjs s ILE 34 Cb -0.17 -1.98 0.00 0.00 1.25 0.00 0.00 42.46 41.55 1fjs s ILE 34 CO 0.16 0.58 0.00 -0.46 0.24 0.00 0.00 174.94 175.45 1fjs n ASN 35 N 2.64 0.00 0.24 4.36 0.23 -0.83 -0.77 115.26 121.13 1fjs n ASN 35 Ca -0.17 -0.83 0.09 0.00 -0.53 0.00 0.00 54.58 53.15 1fjs n ASN 35 Cb 0.52 0.00 0.59 0.00 -2.08 0.00 0.00 39.78 38.81 1fjs n ASN 35 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 1fjs h GLU 36 N 0.00 0.00 -0.35 -3.83 3.07 -1.91 -1.49 114.58 110.07 1fjs h GLU 36 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1fjs h GLU 36 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 1fjs h GLU 36 CO 0.00 0.19 0.00 -1.91 -1.40 0.00 0.00 179.01 175.89 1fjs n GLU 37 N -3.81 1.98 -2.32 2.33 0.00 -1.26 -4.91 120.64 112.65 1fjs n GLU 37 Ca -0.02 -1.50 -0.11 0.00 0.00 0.00 0.00 57.16 55.53 1fjs n GLU 37 Cb 0.29 -1.37 0.00 0.00 0.00 0.00 0.00 31.44 30.36 1fjs n GLU 37 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 1fjs n ASN 38 N 0.71 -3.66 -4.67 4.31 4.05 -0.56 -5.01 115.26 110.43 1fjs n ASN 38 Ca 0.16 -0.05 -0.36 0.00 0.45 0.00 0.00 54.58 54.78 1fjs n ASN 38 Cb 0.38 -2.81 -0.09 0.00 1.23 0.00 0.00 39.78 38.49 1fjs n ASN 38 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 177.26 172.60 1fjs s GLU 39 N -4.69 4.10 -0.11 1.20 2.02 -1.26 -4.80 118.70 115.16 1fjs s GLU 39 Ca 0.04 -0.22 -0.29 0.00 0.02 0.00 0.00 54.97 54.52 1fjs s GLU 39 Cb -0.02 -3.52 -0.04 0.00 0.10 0.00 0.00 34.13 30.65 1fjs s GLU 39 CO 0.05 0.09 1.59 0.20 0.02 0.00 0.00 175.26 177.22 1fjs s GLY 40 N 0.93 1.47 -0.01 -1.39 0.00 -1.26 -1.97 107.32 105.10 1fjs s GLY 40 Ca 0.09 0.76 0.09 0.00 0.00 0.00 0.00 44.72 45.66 1fjs s GLY 40 CO 0.04 2.96 0.26 1.97 0.00 0.00 0.00 173.10 178.32 1fjs n PHE 41 N 7.38 0.00 -3.72 1.90 1.16 -0.59 -5.00 117.46 118.60 1fjs n PHE 41 Ca 0.17 0.00 -0.09 0.00 -1.87 0.00 0.00 57.45 55.66 1fjs n PHE 41 Cb 0.44 -0.14 -0.03 0.00 -1.61 0.00 0.00 39.48 38.14 1fjs n PHE 41 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1fjs n GLY 43 N -0.39 2.63 3.71 0.00 0.00 0.12 -0.81 105.19 110.44 1fjs n GLY 43 Ca -0.09 -2.28 -0.08 0.00 0.00 0.00 0.00 46.02 43.57 1fjs n GLY 43 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1fjs s GLY 44 N -4.15 -0.27 -0.13 -0.02 0.00 -0.24 -3.56 107.32 98.96 1fjs s GLY 44 Ca 0.34 0.08 0.02 0.00 0.00 0.00 0.00 44.72 45.16 1fjs s GLY 44 CO 0.22 0.02 -0.20 -1.59 0.00 0.00 0.00 173.10 171.55 1fjs s THR 45 N -3.68 2.29 0.01 0.90 2.01 0.95 -1.03 115.64 117.09 1fjs s THR 45 Ca 0.08 -0.92 -0.30 0.00 0.31 0.00 0.00 61.69 60.86 1fjs s THR 45 Cb -0.03 -1.92 -0.06 0.00 0.01 0.00 0.00 72.50 70.50 1fjs s THR 45 CO 0.00 0.54 1.53 -0.63 -0.69 0.00 0.00 174.62 175.38 1fjs s ILE 46 N 0.60 3.46 -0.17 1.82 1.01 0.36 -0.36 121.20 127.92 1fjs s ILE 46 Ca -0.11 0.82 0.14 0.00 0.00 0.00 0.00 60.65 61.50 1fjs s ILE 46 Cb -0.16 -3.53 -0.21 0.00 0.01 0.00 0.00 42.46 38.57 1fjs s ILE 46 CO 0.03 -0.02 0.04 0.18 0.00 0.00 0.00 174.94 175.18 1fjs n LEU 47 N 5.81 0.17 0.00 2.97 4.77 0.06 -1.70 117.00 129.08 1fjs n LEU 47 Ca 0.15 -0.01 -0.03 0.00 -0.03 0.00 0.00 56.01 56.10 1fjs n LEU 47 Cb 0.42 0.35 0.02 0.00 -2.33 0.00 0.00 43.42 41.88 1fjs n LEU 47 CO 0.61 0.44 0.61 -1.54 -1.33 0.00 0.00 177.39 176.17 1fjs n SER 48 N -2.66 -1.35 0.27 -1.43 3.41 -1.15 -4.69 113.62 106.02 1fjs n SER 48 Ca -0.28 -1.73 0.11 0.00 -0.26 0.00 0.00 58.87 56.71 1fjs n SER 48 Cb 1.04 2.20 0.72 0.00 -0.26 0.00 0.00 64.21 67.91 1fjs n SER 48 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 1fjs h GLU 49 N 0.00 0.00 0.00 4.33 4.11 -1.98 -3.16 114.58 117.88 1fjs h GLU 49 Ca -0.21 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.22 1fjs h GLU 49 Cb 0.91 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.16 1fjs h GLU 49 CO 0.28 0.06 -1.26 1.19 0.07 0.00 0.00 179.01 179.34 1fjs n PHE 50 N -4.11 0.00 -4.86 2.06 3.72 -1.26 0.19 117.46 113.20 1fjs n PHE 50 Ca -0.03 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 57.04 1fjs n PHE 50 Cb 0.14 -0.20 -0.13 0.00 -0.94 0.00 0.00 39.48 38.35 1fjs n PHE 50 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 176.76 177.42 1fjs s TYR 51 N -2.68 2.73 -0.06 1.38 2.02 -1.20 0.44 117.35 119.98 1fjs s TYR 51 Ca -0.01 -0.19 0.04 0.00 -0.37 0.00 0.00 57.07 56.54 1fjs s TYR 51 Cb 0.09 -1.66 -0.00 0.00 -0.40 0.00 0.00 41.96 39.99 1fjs s TYR 51 CO 0.55 0.16 -0.20 0.42 -1.57 0.00 0.00 175.55 174.91 1fjs s ILE 52 N -0.62 1.71 -0.16 2.71 -1.09 -0.48 -0.76 121.20 122.51 1fjs s ILE 52 Ca 0.09 -0.85 -0.08 0.00 -2.23 0.00 0.00 60.65 57.58 1fjs s ILE 52 Cb -0.11 -1.47 -0.04 0.00 -1.58 0.00 0.00 42.46 39.25 1fjs s ILE 52 CO 0.01 0.48 0.11 -0.22 -1.23 0.00 0.00 174.94 174.09 1fjs s LEU 53 N 0.13 4.14 0.00 2.97 2.96 0.52 -0.42 118.68 128.99 1fjs s LEU 53 Ca -0.09 0.27 -0.02 0.00 -0.22 0.00 0.00 54.13 54.08 1fjs s LEU 53 Cb -0.14 -2.04 0.01 0.00 0.50 0.00 0.00 46.19 44.52 1fjs s LEU 53 CO 0.04 0.27 0.51 1.07 -1.32 0.00 0.00 176.35 176.92 1fjs n THR 54 N 2.93 0.00 -3.31 3.68 5.66 0.01 -0.03 114.28 123.21 1fjs n THR 54 Ca -0.18 -1.81 -0.38 0.00 -3.05 0.00 0.00 64.05 58.62 1fjs n THR 54 Cb 0.53 1.12 -0.06 0.00 -1.55 0.00 0.00 70.33 70.37 1fjs n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1fjs s ALA 55 N -2.80 3.61 0.45 1.79 0.00 -1.26 -0.78 121.76 122.77 1fjs s ALA 55 Ca 0.30 -0.01 0.11 0.00 0.00 0.00 0.00 51.96 52.36 1fjs s ALA 55 Cb -0.01 -2.59 1.02 0.00 0.00 0.00 0.00 23.12 21.53 1fjs s ALA 55 CO 0.21 0.41 2.07 0.00 0.00 0.00 0.00 175.76 178.46 1fjs h ALA 56 N 4.55 1.80 0.00 0.00 0.00 -1.70 -2.62 119.26 121.28 1fjs h ALA 56 Ca -0.50 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1fjs h ALA 56 Cb 1.21 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1fjs h ALA 56 CO 0.63 0.17 0.00 1.12 0.00 0.00 0.00 179.25 181.17 1fjs h HIS 57 N 0.27 0.00 0.00 0.00 2.07 -1.93 -2.45 115.15 113.12 1fjs h HIS 57 Ca 0.07 0.00 -0.05 0.00 -2.85 0.00 0.00 60.37 57.54 1fjs h HIS 57 Cb 0.03 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.01 1fjs h HIS 57 CO 0.00 0.00 -0.25 0.00 -3.07 0.00 0.00 177.93 174.61 1fjs h LEU 59 N 0.00 0.12 -0.15 0.00 3.38 -1.56 -0.53 115.31 116.57 1fjs h LEU 59 Ca -0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1fjs h LEU 59 Cb 0.89 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.61 1fjs h LEU 59 CO 0.03 0.13 -0.01 -1.22 0.09 0.00 0.00 178.44 177.46 1fjs n TYR 60 N -4.48 0.00 1.27 1.13 4.02 -1.13 -3.59 117.16 114.38 1fjs n TYR 60 Ca -0.01 0.00 0.13 0.00 -0.01 0.00 0.00 57.90 58.01 1fjs n TYR 60 Cb 0.12 -0.04 0.33 0.00 -0.02 0.00 0.00 39.34 39.73 1fjs n TYR 60 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 1fjs n GLN 61 N -0.87 1.66 -3.65 -0.72 1.13 -0.21 -4.88 117.38 109.85 1fjs n GLN 61 Ca 0.22 -1.15 -0.07 0.00 -1.94 0.00 0.00 57.00 54.06 1fjs n GLN 61 Cb 0.17 -1.48 -0.07 0.00 0.11 0.00 0.00 30.24 28.97 1fjs n GLN 61 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1fjs s ALA 61 N -2.13 -1.75 0.26 -1.58 0.00 -1.24 -5.02 121.76 110.29 1fjs s ALA 61 Ca 0.31 2.28 -0.03 0.00 0.00 0.00 0.00 51.96 54.52 1fjs s ALA 61 Cb 0.20 -1.36 0.32 0.00 0.00 0.00 0.00 23.12 22.28 1fjs s ALA 61 CO 0.38 -0.39 1.77 1.57 0.00 0.00 0.00 175.76 179.10 1fjs h LYS 62 N 7.07 0.87 -3.64 0.00 2.10 -1.90 -3.42 116.57 117.65 1fjs h LYS 62 Ca -0.30 -0.21 -0.21 0.00 -2.00 0.00 0.00 60.65 57.93 1fjs h LYS 62 Cb 1.22 -0.11 -0.26 0.00 -0.90 0.00 0.00 32.23 32.17 1fjs h LYS 62 CO 0.18 0.82 -0.65 1.03 -2.00 0.00 0.00 179.45 178.82 1fjs s ARG 63 N -5.12 0.11 0.17 0.07 1.81 -1.26 -5.16 118.95 109.57 1fjs s ARG 63 Ca -0.10 -0.02 -0.14 0.00 -1.72 0.00 0.00 55.73 53.75 1fjs s ARG 63 Cb 0.15 0.05 0.02 0.00 -0.45 0.00 0.00 34.95 34.71 1fjs s ARG 63 CO 0.81 -0.02 0.41 -0.59 -0.68 0.00 0.00 175.30 175.23 1fjs s PHE 64 N -0.20 0.05 0.40 -0.53 -0.12 -1.26 -4.04 117.98 112.28 1fjs s PHE 64 Ca -0.02 -0.40 0.02 0.00 -0.05 0.00 0.00 56.93 56.48 1fjs s PHE 64 Cb -0.02 0.20 -0.01 0.00 -0.63 0.00 0.00 43.02 42.56 1fjs s PHE 64 CO 0.00 -0.79 0.08 1.63 -0.05 0.00 0.00 175.22 176.09 1fjs n LYS 65 N -0.26 0.73 -4.18 1.99 5.02 0.05 -4.49 118.16 117.02 1fjs n LYS 65 Ca -0.11 -3.15 -0.27 0.00 -2.02 0.00 0.00 58.31 52.77 1fjs n LYS 65 Cb 0.63 1.37 -0.17 0.00 -0.02 0.00 0.00 35.03 36.84 1fjs n LYS 65 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1fjs s VAL 66 N -2.80 1.19 -0.13 -0.18 1.01 0.30 -1.04 120.40 118.74 1fjs s VAL 66 Ca 0.11 -0.43 -0.05 0.00 0.00 0.00 0.00 61.98 61.61 1fjs s VAL 66 Cb 0.01 -1.14 -0.04 0.00 0.00 0.00 0.00 36.38 35.20 1fjs s VAL 66 CO 0.08 0.39 0.04 -0.60 0.00 0.00 0.00 175.10 175.01 1fjs s ARG 67 N 1.30 3.48 0.24 2.72 3.52 0.64 -0.07 118.95 130.78 1fjs s ARG 67 Ca -0.02 -0.36 0.07 0.00 -0.13 0.00 0.00 55.73 55.30 1fjs s ARG 67 Cb -0.14 -3.02 -0.05 0.00 -1.56 0.00 0.00 34.95 30.18 1fjs s ARG 67 CO -0.04 0.51 -0.11 0.14 -0.81 0.00 0.00 175.30 174.99 1fjs s VAL 68 N -0.32 1.73 -1.07 7.11 -7.23 -0.45 -0.69 120.40 119.47 1fjs s VAL 68 Ca 0.08 -2.18 0.00 0.00 -1.81 0.00 0.00 61.98 58.07 1fjs s VAL 68 Cb -0.12 -2.25 0.00 0.00 0.56 0.00 0.00 36.38 34.57 1fjs s VAL 68 CO 0.02 -0.45 0.00 0.61 -0.31 0.00 0.00 175.10 174.97 1fjs n GLY 69 N -0.49 0.99 3.53 2.32 0.00 -1.24 -1.82 105.19 108.48 1fjs n GLY 69 Ca -0.07 -0.54 -0.34 0.00 0.00 0.00 0.00 46.02 45.07 1fjs n GLY 69 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1fjs s ASP 70 N -2.84 4.79 0.00 1.61 3.68 -1.26 -3.58 116.67 119.07 1fjs s ASP 70 Ca 0.00 -0.08 0.00 0.00 2.13 0.00 0.00 52.55 54.60 1fjs s ASP 70 Cb 0.00 -1.61 0.00 0.00 -1.45 0.00 0.00 42.92 39.86 1fjs s ASP 70 CO 0.00 0.24 0.00 0.54 0.13 0.00 0.00 175.17 176.08 1fjs n ARG 71 N 3.09 2.24 -3.54 4.34 1.74 -1.26 -4.83 116.66 118.45 1fjs n ARG 71 Ca -0.18 0.00 -0.20 0.00 -0.77 0.00 0.00 57.85 56.71 1fjs n ARG 71 Cb 0.53 -0.78 -0.14 0.00 -1.02 0.00 0.00 32.46 31.05 1fjs n ARG 71 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1fjs s ASN 72 N -1.36 1.52 0.52 0.55 3.84 -1.25 -0.02 114.94 118.74 1fjs s ASN 72 Ca 0.00 -0.25 0.29 0.00 0.21 0.00 0.00 52.86 53.11 1fjs s ASN 72 Cb 0.00 0.24 1.36 0.00 -0.55 0.00 0.00 41.25 42.29 1fjs s ASN 72 CO 0.00 -0.32 2.00 0.71 -2.79 0.00 0.00 177.10 176.70 1fjs h THR 73 N 6.34 0.40 -3.09 -5.21 1.35 -0.94 -3.32 112.91 108.45 1fjs h THR 73 Ca -0.16 -0.67 -0.66 0.00 -0.55 0.00 0.00 66.41 64.37 1fjs h THR 73 Cb 1.15 1.48 -0.39 0.00 -1.73 0.00 0.00 68.15 68.66 1fjs h THR 73 CO 0.27 0.12 -0.34 -1.84 -0.25 0.00 0.00 175.52 173.47 1fjs n GLU 74 N -3.40 2.30 0.00 4.72 0.28 -1.26 -4.97 120.64 118.31 1fjs n GLU 74 Ca -0.01 -4.51 0.00 0.00 -0.16 0.00 0.00 57.16 52.48 1fjs n GLU 74 Cb 0.30 -2.34 0.00 0.00 1.43 0.00 0.00 31.44 30.82 1fjs n GLU 74 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 1fjs n GLN 75 N 1.96 0.00 -3.46 3.44 6.02 -1.25 -5.13 117.38 118.97 1fjs n GLN 75 Ca 0.22 0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 56.79 1fjs n GLN 75 Cb 0.36 0.00 -0.10 0.00 1.02 0.00 0.00 30.24 31.52 1fjs n GLN 75 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1fjs s GLU 76 N -2.04 3.32 -0.06 -1.09 8.01 -1.26 -4.83 118.70 120.75 1fjs s GLU 76 Ca 0.00 -0.71 0.16 0.00 0.01 0.00 0.00 54.97 54.43 1fjs s GLU 76 Cb 0.00 -3.87 -0.22 0.00 -4.31 0.00 0.00 34.13 25.73 1fjs s GLU 76 CO 0.00 -0.59 0.52 0.39 0.01 0.00 0.00 175.26 175.59 1fjs n GLU 77 N 5.23 0.65 0.00 1.61 1.02 -1.26 -5.01 120.64 122.88 1fjs n GLU 77 Ca -0.11 0.15 0.00 0.00 -0.02 0.00 0.00 57.16 57.18 1fjs n GLU 77 Cb 0.49 -1.70 0.00 0.00 -0.02 0.00 0.00 31.44 30.21 1fjs n GLU 77 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1fjs n GLY 78 N 1.55 2.91 0.93 0.62 0.00 -1.26 -4.89 105.19 105.04 1fjs n GLY 78 Ca -0.19 0.00 0.11 0.00 0.00 0.00 0.00 46.02 45.94 1fjs n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fjs n GLY 79 N -1.91 1.04 3.78 -0.02 0.00 -1.26 -4.98 105.19 101.84 1fjs n GLY 79 Ca 0.00 -0.64 -0.34 0.00 0.00 0.00 0.00 46.02 45.04 1fjs n GLY 79 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1fjs s GLU 80 N -1.68 3.33 -0.24 1.61 8.01 -1.23 -4.48 118.70 124.01 1fjs s GLU 80 Ca 0.28 1.48 -0.18 0.00 0.01 0.00 0.00 54.97 56.57 1fjs s GLU 80 Cb 0.19 -2.01 0.07 0.00 -4.31 0.00 0.00 34.13 28.06 1fjs s GLU 80 CO 0.28 -0.84 0.61 0.00 0.01 0.00 0.00 175.26 175.32 1fjs s ALA 81 N -1.99 -1.58 -0.11 5.21 0.00 -0.75 -4.99 121.76 117.54 1fjs s ALA 81 Ca 0.70 1.96 -0.06 0.00 0.00 0.00 0.00 51.96 54.56 1fjs s ALA 81 Cb -0.21 -1.15 -0.04 0.00 0.00 0.00 0.00 23.12 21.72 1fjs s ALA 81 CO 0.29 -0.32 0.12 0.08 0.00 0.00 0.00 175.76 175.94 1fjs s VAL 82 N 0.97 5.35 0.01 0.00 1.01 -1.26 -1.34 120.40 125.14 1fjs s VAL 82 Ca -0.05 0.12 0.05 0.00 0.00 0.00 0.00 61.98 62.10 1fjs s VAL 82 Cb -0.05 -3.33 -0.02 0.00 0.00 0.00 0.00 36.38 32.98 1fjs s VAL 82 CO -0.09 0.60 -0.14 -1.00 0.00 0.00 0.00 175.10 174.47 1fjs s HIS 83 N -1.03 1.25 0.42 5.22 3.76 0.89 -4.96 115.29 120.84 1fjs s HIS 83 Ca 0.16 -0.29 -0.10 0.00 -0.15 0.00 0.00 55.06 54.68 1fjs s HIS 83 Cb -0.12 -0.77 -0.06 0.00 1.11 0.00 0.00 32.58 32.74 1fjs s HIS 83 CO 0.05 0.01 0.78 -1.21 -0.85 0.00 0.00 174.74 173.52 1fjs s GLU 84 N -0.71 3.75 -0.22 1.40 2.02 -1.26 -0.54 118.70 123.13 1fjs s GLU 84 Ca 0.04 0.45 -0.13 0.00 0.02 0.00 0.00 54.97 55.34 1fjs s GLU 84 Cb -0.06 -2.38 -0.04 0.00 0.10 0.00 0.00 34.13 31.74 1fjs s GLU 84 CO 0.00 -0.07 0.28 0.08 0.02 0.00 0.00 175.26 175.57 1fjs s VAL 85 N -2.44 5.28 -0.07 2.63 1.01 -1.26 -1.44 120.40 124.10 1fjs s VAL 85 Ca 0.51 0.44 0.03 0.00 0.00 0.00 0.00 61.98 62.96 1fjs s VAL 85 Cb -0.10 -3.62 -0.25 0.00 0.00 0.00 0.00 36.38 32.41 1fjs s VAL 85 CO 0.34 0.29 0.55 -0.08 0.00 0.00 0.00 175.10 176.20 1fjs h GLU 86 N 7.50 0.13 -3.47 2.72 4.81 -1.05 -3.44 114.58 121.78 1fjs h GLU 86 Ca -0.37 -0.22 -0.23 0.00 -0.13 0.00 0.00 59.36 58.41 1fjs h GLU 86 Cb 1.17 0.08 -0.29 0.00 0.63 0.00 0.00 28.75 30.34 1fjs h GLU 86 CO 0.68 0.85 -0.63 0.08 -0.73 0.00 0.00 179.01 179.25 1fjs s VAL 87 N -2.58 -0.02 -0.18 0.32 1.01 -0.82 -4.99 120.40 113.14 1fjs s VAL 87 Ca -0.12 0.07 -0.02 0.00 0.00 0.00 0.00 61.98 61.90 1fjs s VAL 87 Cb 0.07 -0.14 -0.01 0.00 0.00 0.00 0.00 36.38 36.30 1fjs s VAL 87 CO 0.80 0.03 -0.08 -0.69 0.00 0.00 0.00 175.10 175.16 1fjs s VAL 88 N 0.43 3.27 -0.41 2.92 1.01 -1.26 -0.45 120.40 125.91 1fjs s VAL 88 Ca -0.03 -0.55 -0.00 0.00 0.00 0.00 0.00 61.98 61.39 1fjs s VAL 88 Cb -0.05 -2.44 0.11 0.00 0.00 0.00 0.00 36.38 34.00 1fjs s VAL 88 CO -0.02 0.47 0.18 -0.63 0.00 0.00 0.00 175.10 175.10 1fjs s ILE 89 N 0.97 2.97 0.22 2.22 1.01 0.30 -5.00 121.20 123.88 1fjs s ILE 89 Ca -0.01 -2.28 -0.04 0.00 0.00 0.00 0.00 60.65 58.32 1fjs s ILE 89 Cb -0.15 -3.07 -0.05 0.00 0.01 0.00 0.00 42.46 39.20 1fjs s ILE 89 CO -0.00 -0.68 0.46 -0.75 0.00 0.00 0.00 174.94 173.97 1fjs s LYS 90 N 0.90 3.61 -0.12 2.79 2.20 -1.26 -0.91 119.74 126.95 1fjs s LYS 90 Ca 0.10 -0.11 -0.29 0.00 -0.36 0.00 0.00 55.97 55.31 1fjs s LYS 90 Cb -0.22 -2.75 -0.03 0.00 -1.51 0.00 0.00 37.83 33.32 1fjs s LYS 90 CO -0.05 0.34 1.34 -1.58 -0.36 0.00 0.00 175.35 175.04 1fjs s HIS 91 N -1.90 2.72 -1.45 4.03 5.65 -0.86 -4.86 115.29 118.62 1fjs s HIS 91 Ca 0.42 0.86 0.10 0.00 0.25 0.00 0.00 55.06 56.69 1fjs s HIS 91 Cb -0.11 -3.59 0.53 0.00 -1.18 0.00 0.00 32.58 28.24 1fjs s HIS 91 CO 0.28 -2.12 1.22 0.27 -0.65 0.00 0.00 174.74 173.73 1fjs n ASN 92 N 6.46 0.00 -1.12 9.88 0.23 -1.26 -1.54 115.26 127.91 1fjs n ASN 92 Ca 0.14 0.12 0.10 0.00 -0.53 0.00 0.00 54.58 54.41 1fjs n ASN 92 Cb 0.44 -0.27 0.26 0.00 -2.08 0.00 0.00 39.78 38.13 1fjs n ASN 92 CO 0.00 0.00 0.00 -1.14 -0.93 0.00 0.00 177.26 175.19 1fjs n ARG 93 N -1.27 2.72 -1.90 -3.83 3.00 -1.26 -4.97 116.66 109.14 1fjs n ARG 93 Ca 0.05 -2.44 -0.41 0.00 -0.00 0.00 0.00 57.85 55.05 1fjs n ARG 93 Cb 0.08 -1.48 -0.02 0.00 0.00 0.00 0.00 32.46 31.05 1fjs n ARG 93 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.63 177.75 1fjs s PHE 94 N -1.04 2.86 -0.10 -0.14 5.36 -0.59 -4.67 117.98 119.65 1fjs s PHE 94 Ca 0.40 0.99 0.01 0.00 -0.96 0.00 0.00 56.93 57.37 1fjs s PHE 94 Cb 0.21 -3.93 0.02 0.00 -0.34 0.00 0.00 43.02 38.98 1fjs s PHE 94 CO 0.28 -3.00 -0.12 0.99 -1.46 0.00 0.00 175.22 171.91 1fjs s THR 95 N -0.26 1.29 0.27 0.12 2.01 -0.86 -5.00 115.64 113.21 1fjs s THR 95 Ca 0.59 -0.51 0.02 0.00 0.31 0.00 0.00 61.69 62.10 1fjs s THR 95 Cb -0.45 -1.22 0.05 0.00 0.01 0.00 0.00 72.50 70.90 1fjs s THR 95 CO 0.49 0.40 1.70 0.07 -0.69 0.00 0.00 174.62 176.59 1fjs h LYS 96 N 7.60 0.48 0.00 4.92 -0.00 -1.94 0.97 116.57 128.59 1fjs h LYS 96 Ca -0.32 -0.19 -0.06 0.00 -0.00 0.00 0.00 60.65 60.08 1fjs h LYS 96 Cb 1.16 -0.02 -0.01 0.00 -0.00 0.00 0.00 32.23 33.36 1fjs h LYS 96 CO 0.47 0.72 -0.29 1.49 -0.00 0.00 0.00 179.45 181.83 1fjs h GLU 97 N 0.42 0.00 0.00 0.07 4.57 -1.98 -3.31 114.58 114.34 1fjs h GLU 97 Ca 0.06 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.23 1fjs h GLU 97 Cb 0.72 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.30 1fjs h GLU 97 CO 0.05 0.29 -1.08 0.25 -1.18 0.00 0.00 179.01 177.35 1fjs n THR 98 N -3.90 0.03 -1.42 0.32 -2.24 -1.13 -5.00 114.28 100.94 1fjs n THR 98 Ca -0.02 -0.04 -0.08 0.00 -2.27 0.00 0.00 64.05 61.64 1fjs n THR 98 Cb 0.37 0.02 -0.03 0.00 -2.10 0.00 0.00 70.33 68.59 1fjs n THR 98 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1fjs n TYR 99 N -1.71 -0.08 -2.60 4.78 4.02 0.33 -4.92 117.16 116.99 1fjs n TYR 99 Ca -0.01 0.00 -0.36 0.00 -0.01 0.00 0.00 57.90 57.52 1fjs n TYR 99 Cb 0.20 -1.72 -0.05 0.00 -0.02 0.00 0.00 39.34 37.75 1fjs n TYR 99 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 1fjs s ASP 100 N -2.86 6.76 -1.24 7.72 2.15 -1.21 -3.53 116.67 124.47 1fjs s ASP 100 Ca 0.00 1.96 -0.07 0.00 0.43 0.00 0.00 52.55 54.86 1fjs s ASP 100 Cb 0.00 -2.57 0.01 0.00 -0.30 0.00 0.00 42.92 40.05 1fjs s ASP 100 CO 0.00 -0.49 0.99 0.49 -0.17 0.00 0.00 175.17 175.99 1fjs n PHE 101 N -0.25 -2.47 -2.20 -5.34 3.72 -1.26 -2.03 117.46 107.63 1fjs n PHE 101 Ca 0.06 0.85 -0.41 0.00 -0.05 0.00 0.00 57.45 57.89 1fjs n PHE 101 Cb 0.51 -4.54 -0.01 0.00 -0.94 0.00 0.00 39.48 34.49 1fjs n PHE 101 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1fjs n ASP 102 N -2.46 4.31 -3.75 4.37 2.03 -1.23 -4.26 116.55 115.56 1fjs n ASP 102 Ca -0.01 -2.86 -0.13 0.00 0.52 0.00 0.00 54.79 52.31 1fjs n ASP 102 Cb 0.56 -1.69 -0.10 0.00 -0.72 0.00 0.00 41.12 39.17 1fjs n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1fjs s ILE 103 N 4.63 0.02 -0.02 5.18 2.07 -1.26 -3.96 121.20 127.85 1fjs s ILE 103 Ca 0.54 -0.15 -0.21 0.00 -1.41 0.00 0.00 60.65 59.42 1fjs s ILE 103 Cb 0.07 -0.53 0.04 0.00 0.13 0.00 0.00 42.46 42.17 1fjs s ILE 103 CO 0.04 -0.08 0.44 0.00 -1.91 0.00 0.00 174.94 173.43 1fjs s ALA 104 N -0.31 -1.13 -0.05 1.50 0.00 0.04 -2.03 121.76 119.77 1fjs s ALA 104 Ca -0.04 0.66 0.06 0.00 0.00 0.00 0.00 51.96 52.64 1fjs s ALA 104 Cb -0.03 0.07 -0.01 0.00 0.00 0.00 0.00 23.12 23.15 1fjs s ALA 104 CO 0.02 -0.31 -0.25 0.08 0.00 0.00 0.00 175.76 175.30 1fjs s VAL 105 N -1.37 2.07 -0.15 0.00 1.01 -0.08 -0.81 120.40 121.06 1fjs s VAL 105 Ca -0.12 -1.07 -0.02 0.00 0.00 0.00 0.00 61.98 60.77 1fjs s VAL 105 Cb -0.03 -1.74 -0.02 0.00 0.00 0.00 0.00 36.38 34.59 1fjs s VAL 105 CO 0.06 0.57 -0.07 -0.76 0.00 0.00 0.00 175.10 174.90 1fjs s LEU 106 N -0.25 3.03 -0.25 3.92 1.43 0.44 -0.54 118.68 126.47 1fjs s LEU 106 Ca -0.01 -0.22 -0.14 0.00 -1.03 0.00 0.00 54.13 52.73 1fjs s LEU 106 Cb -0.13 -1.72 -0.04 0.00 0.03 0.00 0.00 46.19 44.33 1fjs s LEU 106 CO 0.03 0.15 0.31 -0.60 0.23 0.00 0.00 176.35 176.47 1fjs s ARG 107 N 0.45 4.06 0.41 1.70 3.00 0.40 -1.38 118.95 127.59 1fjs s ARG 107 Ca -0.06 -0.03 -0.19 0.00 -1.00 0.00 0.00 55.73 54.45 1fjs s ARG 107 Cb -0.15 -3.60 -0.10 0.00 0.00 0.00 0.00 34.95 31.10 1fjs s ARG 107 CO 0.04 -0.12 0.90 -0.51 0.00 0.00 0.00 175.30 175.61 1fjs s LEU 108 N 1.60 3.94 0.12 -0.88 1.43 0.17 -0.53 118.68 124.52 1fjs s LEU 108 Ca 0.13 1.58 -0.13 0.00 -1.03 0.00 0.00 54.13 54.68 1fjs s LEU 108 Cb -0.15 -4.43 -0.05 0.00 0.03 0.00 0.00 46.19 41.58 1fjs s LEU 108 CO 0.08 -0.35 1.47 0.50 0.23 0.00 0.00 176.35 178.29 1fjs h LYS 109 N 1.89 0.79 -6.65 1.70 3.64 -1.54 -3.41 116.57 112.99 1fjs h LYS 109 Ca -0.49 -0.38 -0.67 0.00 -1.27 0.00 0.00 60.65 57.84 1fjs h LYS 109 Cb 1.18 -0.01 -0.25 0.00 -0.41 0.00 0.00 32.23 32.74 1fjs h LYS 109 CO 0.62 1.01 -0.87 0.95 -2.27 0.00 0.00 179.45 178.88 1fjs s THR 110 N -4.51 2.07 0.54 1.00 -4.23 -1.26 -5.00 115.64 104.25 1fjs s THR 110 Ca -0.12 -1.43 -0.20 0.00 -1.18 0.00 0.00 61.69 58.76 1fjs s THR 110 Cb 0.10 -1.79 -0.06 0.00 1.34 0.00 0.00 72.50 72.09 1fjs s THR 110 CO 0.84 0.28 1.15 -2.16 -0.54 0.00 0.00 174.62 174.19 1fjs s PRO 111 N -1.39 3.35 0.09 3.99 0.04 -1.26 -4.87 135.00 134.95 1fjs s PRO 111 Ca 0.11 1.67 -0.24 0.00 0.04 0.00 0.00 61.00 62.58 1fjs s PRO 111 Cb -0.10 -2.05 -0.07 0.00 0.04 0.00 0.00 34.50 32.33 1fjs s PRO 111 CO 0.03 -0.87 0.74 0.42 0.04 0.00 0.00 177.00 177.36 1fjs s ILE 112 N -1.71 4.59 -0.23 0.56 1.01 0.13 -5.00 121.20 120.56 1fjs s ILE 112 Ca 0.72 1.60 -0.08 0.00 0.00 0.00 0.00 60.65 62.90 1fjs s ILE 112 Cb -0.26 -4.10 -0.04 0.00 0.01 0.00 0.00 42.46 38.08 1fjs s ILE 112 CO 0.29 0.45 0.09 0.42 0.00 0.00 0.00 174.94 176.19 1fjs s THR 113 N -0.60 4.67 0.53 2.92 -4.23 -1.26 -4.68 115.64 113.00 1fjs s THR 113 Ca 0.36 -0.06 -0.20 0.00 -1.18 0.00 0.00 61.69 60.62 1fjs s THR 113 Cb -0.21 -3.16 -0.06 0.00 1.34 0.00 0.00 72.50 70.40 1fjs s THR 113 CO 0.24 0.37 1.11 -0.36 -0.54 0.00 0.00 174.62 175.44 1fjs s PHE 114 N 1.14 2.74 0.01 3.99 0.08 -1.26 -4.94 117.98 119.73 1fjs s PHE 114 Ca 0.05 1.55 -0.01 0.00 0.12 0.00 0.00 56.93 58.64 1fjs s PHE 114 Cb -0.14 -3.24 0.00 0.00 -0.57 0.00 0.00 43.02 39.07 1fjs s PHE 114 CO 0.04 -1.41 0.06 2.89 -0.10 0.00 0.00 175.22 176.70 1fjs n ARG 115 N -1.24 0.03 -1.66 0.44 1.85 0.16 -4.98 116.66 111.26 1fjs n ARG 115 Ca 0.11 -0.07 -0.48 0.00 -1.00 0.00 0.00 57.85 56.42 1fjs n ARG 115 Cb 0.51 0.10 -0.05 0.00 -1.05 0.00 0.00 32.46 31.97 1fjs n ARG 115 CO 0.00 0.00 0.00 -0.12 -0.01 0.00 0.00 177.63 177.50 1fjs n MET 116 N -0.04 1.96 -1.06 2.89 0.00 -1.26 -0.73 117.12 118.88 1fjs n MET 116 Ca 0.00 0.71 -0.02 0.00 -0.00 0.00 0.00 57.70 58.39 1fjs n MET 116 Cb 0.03 -2.47 -0.01 0.00 0.00 0.00 0.00 33.22 30.77 1fjs n MET 116 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 175.97 176.06 1fjs n ASN 117 N 3.99 -4.44 -3.52 6.12 3.02 -1.26 -4.94 115.26 114.23 1fjs n ASN 117 Ca 0.19 0.05 -0.28 0.00 -0.03 0.00 0.00 54.58 54.51 1fjs n ASN 117 Cb 0.27 -2.13 -0.14 0.00 -0.61 0.00 0.00 39.78 37.17 1fjs n ASN 117 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1fjs s VAL 118 N -1.68 -0.09 -0.00 2.41 1.01 0.09 -3.71 120.40 118.42 1fjs s VAL 118 Ca 0.00 -0.78 -0.25 0.00 0.00 0.00 0.00 61.98 60.95 1fjs s VAL 118 Cb 0.00 -0.99 0.05 0.00 0.00 0.00 0.00 36.38 35.45 1fjs s VAL 118 CO 0.00 -0.72 0.55 0.00 0.00 0.00 0.00 175.10 174.93 1fjs s ALA 119 N 2.07 -1.42 0.43 5.51 0.00 -0.63 -0.66 121.76 127.07 1fjs s ALA 119 Ca 0.10 0.85 -0.11 0.00 0.00 0.00 0.00 51.96 52.79 1fjs s ALA 119 Cb -0.16 0.17 -0.06 0.00 0.00 0.00 0.00 23.12 23.07 1fjs s ALA 119 CO -0.34 -0.41 0.81 -1.25 0.00 0.00 0.00 175.76 174.57 1fjs s PRO 120 N -1.73 3.78 0.30 0.00 0.04 -1.26 -2.47 135.00 133.65 1fjs s PRO 120 Ca -0.09 0.53 -0.07 0.00 0.04 0.00 0.00 61.00 61.41 1fjs s PRO 120 Cb -0.01 -2.34 -0.06 0.00 0.04 0.00 0.00 34.50 32.13 1fjs s PRO 120 CO 0.04 -0.10 0.60 0.00 0.04 0.00 0.00 177.00 177.58 1fjs s ALA 121 N -2.46 3.55 0.15 8.56 0.00 -0.69 -4.87 121.76 126.00 1fjs s ALA 121 Ca 0.52 -0.42 -0.24 0.00 0.00 0.00 0.00 51.96 51.82 1fjs s ALA 121 Cb -0.10 -2.41 -0.08 0.00 0.00 0.00 0.00 23.12 20.53 1fjs s ALA 121 CO 0.33 0.26 0.74 0.00 0.00 0.00 0.00 175.76 177.09 1fjs s LEU 123 N -1.16 4.19 0.86 0.00 1.43 -1.26 -0.75 118.68 121.99 1fjs s LEU 123 Ca 0.35 0.76 -0.08 0.00 -1.03 0.00 0.00 54.13 54.13 1fjs s LEU 123 Cb -0.22 -2.74 0.18 0.00 0.03 0.00 0.00 46.19 43.44 1fjs s LEU 123 CO 0.25 -0.13 1.17 -2.16 0.23 0.00 0.00 176.35 175.71 1fjs s PRO 124 N 1.31 0.98 0.04 1.29 0.04 -1.26 -4.97 135.00 132.43 1fjs s PRO 124 Ca 0.26 -0.95 -0.08 0.00 0.04 0.00 0.00 61.00 60.27 1fjs s PRO 124 Cb -0.15 -2.10 -0.05 0.00 0.04 0.00 0.00 34.50 32.23 1fjs s PRO 124 CO 0.10 -2.04 0.32 -1.21 0.04 0.00 0.00 177.00 174.22 1fjs s GLU 124 N -5.53 3.65 0.14 4.56 2.02 -1.26 -4.97 118.70 117.31 1fjs s GLU 124 Ca 0.72 0.02 -0.23 0.00 0.02 0.00 0.00 54.97 55.49 1fjs s GLU 124 Cb -0.03 -3.04 -0.00 0.00 0.10 0.00 0.00 34.13 31.16 1fjs s GLU 124 CO 0.49 0.61 1.64 -0.09 0.02 0.00 0.00 175.26 177.93 1fjs h ARG 125 N 3.83 -0.27 -0.27 1.61 2.43 -1.98 0.09 114.38 119.82 1fjs h ARG 125 Ca -0.49 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.70 1fjs h ARG 125 Cb 1.19 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.79 1fjs h ARG 125 CO 0.67 -0.18 0.18 -0.44 -1.51 0.00 0.00 179.97 178.68 1fjs h ASP 126 N -0.28 0.31 -0.51 -3.80 3.45 -1.95 0.58 116.42 114.22 1fjs h ASP 126 Ca 0.11 -0.01 -0.07 0.00 0.43 0.00 0.00 57.03 57.49 1fjs h ASP 126 Cb 0.44 -0.07 -0.02 0.00 -0.56 0.00 0.00 39.33 39.12 1fjs h ASP 126 CO -0.32 0.22 0.05 -0.25 -1.57 0.00 0.00 179.24 177.37 1fjs h TRP 127 N 0.36 0.92 -0.56 4.55 7.01 -1.98 -1.89 115.95 124.38 1fjs h TRP 127 Ca 0.10 -0.14 0.00 0.00 2.11 0.00 0.00 58.89 60.96 1fjs h TRP 127 Cb -0.04 -0.25 -0.03 0.00 -2.10 0.00 0.00 29.16 26.75 1fjs h TRP 127 CO -0.06 0.85 0.35 0.00 -2.79 0.00 0.00 178.44 176.79 1fjs h ALA 128 N 0.96 0.71 -0.10 2.65 0.00 -0.52 0.31 119.26 123.26 1fjs h ALA 128 Ca 0.15 -0.05 -0.20 0.00 0.00 0.00 0.00 54.91 54.81 1fjs h ALA 128 Cb 0.45 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1fjs h ALA 128 CO 0.02 0.17 -0.75 0.93 0.00 0.00 0.00 179.25 179.61 1fjs h GLU 129 N 0.75 0.53 0.00 0.00 5.08 -0.76 0.42 114.58 120.60 1fjs h GLU 129 Ca 0.20 -0.44 -0.13 0.00 -1.00 0.00 0.00 59.36 57.99 1fjs h GLU 129 Cb -0.05 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 1fjs h GLU 129 CO -0.04 1.06 -0.80 0.66 -1.00 0.00 0.00 179.01 178.90 1fjs h SER 130 N 0.36 0.00 0.00 1.42 4.64 -1.22 -3.37 113.55 115.38 1fjs h SER 130 Ca -0.04 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.14 1fjs h SER 130 Cb 1.35 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.41 1fjs h SER 130 CO 0.14 0.57 -1.42 0.41 -0.87 0.00 0.00 176.83 175.66 1fjs n THR 131 N -3.15 0.57 -0.03 2.95 -1.04 0.09 -4.40 114.28 109.27 1fjs n THR 131 Ca -0.01 -0.09 -0.14 0.00 -2.04 0.00 0.00 64.05 61.76 1fjs n THR 131 Cb 0.78 -1.64 -0.10 0.00 -1.82 0.00 0.00 70.33 67.55 1fjs n THR 131 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1fjs h LEU 131 N -0.33 0.24 0.00 -4.42 3.38 -1.16 -3.20 115.31 109.81 1fjs h LEU 131 Ca -0.22 -0.65 0.00 0.00 0.09 0.00 0.00 57.88 57.10 1fjs h LEU 131 Cb 1.14 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.82 1fjs h LEU 131 CO -0.13 0.85 0.00 0.23 0.09 0.00 0.00 178.44 179.48 1fjs n MET 131 N -4.57 0.32 -0.14 1.13 2.81 0.00 -1.59 117.12 115.09 1fjs n MET 131 Ca -0.09 0.08 0.12 0.00 -1.81 0.00 0.00 57.70 56.00 1fjs n MET 131 Cb 0.43 -1.50 0.18 0.00 -0.71 0.00 0.00 33.22 31.62 1fjs n MET 131 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1fjs n THR 132 N -1.28 0.38 -1.58 2.03 -2.24 -1.22 -4.93 114.28 105.45 1fjs n THR 132 Ca 0.11 -0.69 -0.30 0.00 -2.27 0.00 0.00 64.05 60.89 1fjs n THR 132 Cb 0.17 1.11 0.08 0.00 -2.10 0.00 0.00 70.33 69.59 1fjs n THR 132 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1fjs s GLN 133 N -1.59 2.37 0.10 -0.78 -1.52 -0.62 -4.98 119.66 112.64 1fjs s GLN 133 Ca 0.35 0.72 -0.18 0.00 -1.95 0.00 0.00 55.36 54.30 1fjs s GLN 133 Cb 0.22 -1.94 -0.06 0.00 -0.22 0.00 0.00 33.01 31.00 1fjs s GLN 133 CO 0.31 -1.44 1.55 0.87 -0.25 0.00 0.00 175.29 176.32 1fjs h LYS 134 N -0.96 0.50 -4.90 2.91 1.79 -1.91 -3.42 116.57 110.56 1fjs h LYS 134 Ca -0.46 -0.15 -0.36 0.00 -2.18 0.00 0.00 60.65 57.50 1fjs h LYS 134 Cb 1.25 -0.05 -0.14 0.00 -1.58 0.00 0.00 32.23 31.71 1fjs h LYS 134 CO 0.59 0.63 -0.61 0.95 -1.08 0.00 0.00 179.45 179.93 1fjs s THR 135 N -5.06 0.56 0.36 -0.16 -4.23 -1.26 -1.20 115.64 104.65 1fjs s THR 135 Ca -0.13 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 58.42 1fjs s THR 135 Cb 0.08 -2.63 -0.03 0.00 1.34 0.00 0.00 72.50 71.26 1fjs s THR 135 CO 0.75 0.00 0.15 -0.83 -0.54 0.00 0.00 174.62 174.16 1fjs s GLY 136 N -3.33 2.38 -0.06 3.99 0.00 0.04 -4.69 107.32 105.64 1fjs s GLY 136 Ca 0.37 -1.55 0.03 0.00 0.00 0.00 0.00 44.72 43.57 1fjs s GLY 136 CO 0.14 -1.71 -0.13 -0.42 0.00 0.00 0.00 173.10 170.98 1fjs s ILE 137 N -3.36 1.18 0.10 0.90 -1.09 0.19 -0.58 121.20 118.54 1fjs s ILE 137 Ca 0.30 -0.51 0.09 0.00 -2.23 0.00 0.00 60.65 58.30 1fjs s ILE 137 Cb 0.04 -1.07 -0.04 0.00 -1.58 0.00 0.00 42.46 39.81 1fjs s ILE 137 CO 0.17 0.36 -0.20 0.54 -1.23 0.00 0.00 174.94 174.58 1fjs s VAL 138 N 0.57 2.67 0.12 2.92 0.11 -0.18 -0.81 120.40 125.80 1fjs s VAL 138 Ca -0.13 -1.50 -0.09 0.00 -2.93 0.00 0.00 61.98 57.32 1fjs s VAL 138 Cb -0.15 -2.19 -0.00 0.00 -1.53 0.00 0.00 36.38 32.50 1fjs s VAL 138 CO 0.04 0.15 0.24 -0.94 -3.33 0.00 0.00 175.10 171.26 1fjs s SER 139 N -1.96 0.07 0.00 3.54 1.04 -1.16 -0.10 113.70 115.12 1fjs s SER 139 Ca 0.16 -0.72 0.00 0.00 0.48 0.00 0.00 55.95 55.87 1fjs s SER 139 Cb -0.10 0.39 0.00 0.00 0.10 0.00 0.00 66.02 66.40 1fjs s SER 139 CO 0.08 -0.80 0.00 0.61 0.98 0.00 0.00 173.24 174.11 1fjs n GLY 140 N -0.13 -0.06 1.50 7.32 0.00 0.24 -4.32 105.19 109.73 1fjs n GLY 140 Ca -0.12 -1.19 0.06 0.00 0.00 0.00 0.00 46.02 44.77 1fjs n GLY 140 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1fjs n PHE 141 N -0.81 1.65 -0.62 1.61 3.01 -1.26 -1.90 117.46 119.15 1fjs n PHE 141 Ca 0.00 -0.84 -0.09 0.00 1.01 0.00 0.00 57.45 57.53 1fjs n PHE 141 Cb 0.00 -0.45 0.08 0.00 -0.01 0.00 0.00 39.48 39.10 1fjs n PHE 141 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1fjs n GLY 142 N 0.08 -2.64 3.78 1.37 0.00 -1.26 -2.16 105.19 104.36 1fjs n GLY 142 Ca 0.26 -1.45 -0.41 0.00 0.00 0.00 0.00 46.02 44.43 1fjs n GLY 142 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1fjs s ARG 143 N -3.74 4.18 0.09 1.61 0.52 0.11 -1.38 118.95 120.34 1fjs s ARG 143 Ca 0.21 2.47 0.25 0.00 -0.52 0.00 0.00 55.73 58.14 1fjs s ARG 143 Cb -0.02 -3.00 0.46 0.00 0.52 0.00 0.00 34.95 32.91 1fjs s ARG 143 CO 0.16 -0.44 1.41 0.25 0.02 0.00 0.00 175.30 176.70 1fjs n THR 144 N 0.63 0.26 -3.83 0.02 -2.24 -1.13 -1.57 114.28 106.43 1fjs n THR 144 Ca 0.01 -0.19 -0.12 0.00 -2.27 0.00 0.00 64.05 61.47 1fjs n THR 144 Cb 0.40 -0.09 -0.11 0.00 -2.10 0.00 0.00 70.33 68.43 1fjs n THR 144 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1fjs s HIS 145 N -3.11 -0.11 0.30 4.78 3.76 -1.26 -4.28 115.29 115.36 1fjs s HIS 145 Ca 0.08 0.23 0.05 0.00 -0.15 0.00 0.00 55.06 55.27 1fjs s HIS 145 Cb 0.15 0.03 0.76 0.00 1.11 0.00 0.00 32.58 34.63 1fjs s HIS 145 CO 0.70 -0.21 1.69 1.49 -0.85 0.00 0.00 174.74 177.55 1fjs h GLU 146 N 4.98 0.36 -0.22 1.40 4.81 -1.88 -0.90 114.58 123.14 1fjs h GLU 146 Ca -0.28 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 58.88 1fjs h GLU 146 Cb 1.19 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 30.46 1fjs h GLU 146 CO 0.39 0.24 -0.04 1.63 -0.73 0.00 0.00 179.01 180.50 1fjs n LYS 147 N -5.06 2.24 -0.25 1.92 5.02 -1.26 -4.95 118.16 115.82 1fjs n LYS 147 Ca 0.23 -2.90 0.00 0.00 -2.02 0.00 0.00 58.31 53.62 1fjs n LYS 147 Cb 0.69 -1.76 0.00 0.00 -0.02 0.00 0.00 35.03 33.94 1fjs n LYS 147 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1fjs n GLY 149 N -0.89 1.86 3.91 0.72 0.00 -0.34 -5.12 105.19 105.32 1fjs n GLY 149 Ca 0.23 -2.05 -0.28 0.00 0.00 0.00 0.00 46.02 43.92 1fjs n GLY 149 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1fjs s ARG 150 N 1.68 3.34 0.66 1.61 1.81 -1.26 -4.83 118.95 121.96 1fjs s ARG 150 Ca 0.00 -0.59 -0.17 0.00 -1.72 0.00 0.00 55.73 53.25 1fjs s ARG 150 Cb 0.00 -2.94 -0.00 0.00 -0.45 0.00 0.00 34.95 31.56 1fjs s ARG 150 CO 0.00 0.55 1.24 -0.65 -0.68 0.00 0.00 175.30 175.76 1fjs s GLN 151 N -2.95 2.54 0.34 3.54 -0.21 -1.26 -2.85 119.66 118.82 1fjs s GLN 151 Ca 0.34 1.89 -0.26 0.00 0.02 0.00 0.00 55.36 57.35 1fjs s GLN 151 Cb -0.12 -1.87 -0.09 0.00 1.00 0.00 0.00 33.01 31.93 1fjs s GLN 151 CO 0.27 -1.56 1.01 0.45 -2.12 0.00 0.00 175.29 173.34 1fjs s SER 152 N -1.66 7.12 0.00 5.90 0.15 -0.48 -4.86 113.70 119.86 1fjs s SER 152 Ca 0.78 1.98 0.24 0.00 0.70 0.00 0.00 55.95 59.66 1fjs s SER 152 Cb -0.33 -2.59 0.27 0.00 -1.71 0.00 0.00 66.02 61.67 1fjs s SER 152 CO 0.40 -0.23 1.26 0.35 1.20 0.00 0.00 173.24 176.22 1fjs n THR 153 N 0.45 0.00 -5.14 6.45 -2.24 -1.26 -4.75 114.28 107.80 1fjs n THR 153 Ca 0.02 -0.20 -0.32 0.00 -2.27 0.00 0.00 64.05 61.29 1fjs n THR 153 Cb 0.49 0.91 -0.15 0.00 -2.10 0.00 0.00 70.33 69.48 1fjs n THR 153 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1fjs s ARG 154 N -2.52 2.48 0.10 -0.78 1.81 -1.26 -0.20 118.95 118.59 1fjs s ARG 154 Ca 0.20 -0.84 -0.31 0.00 -1.72 0.00 0.00 55.73 53.06 1fjs s ARG 154 Cb 0.18 -2.22 -0.07 0.00 -0.45 0.00 0.00 34.95 32.39 1fjs s ARG 154 CO 0.57 0.48 1.31 -1.17 -0.68 0.00 0.00 175.30 175.81 1fjs s LEU 155 N -0.40 4.37 0.22 2.53 2.96 0.97 -4.70 118.68 124.64 1fjs s LEU 155 Ca 0.04 2.22 0.10 0.00 -0.22 0.00 0.00 54.13 56.27 1fjs s LEU 155 Cb -0.12 -3.59 -0.05 0.00 0.50 0.00 0.00 46.19 42.94 1fjs s LEU 155 CO 0.02 -0.58 -0.20 -0.54 -1.32 0.00 0.00 176.35 173.73 1fjs s LYS 156 N 1.00 1.48 0.16 1.98 1.02 -0.80 -0.39 119.74 124.20 1fjs s LYS 156 Ca 0.62 -1.58 0.02 0.00 0.02 0.00 0.00 55.97 55.05 1fjs s LYS 156 Cb -0.34 -1.59 -0.05 0.00 -0.52 0.00 0.00 37.83 35.33 1fjs s LYS 156 CO 0.30 0.32 -0.02 0.00 -0.92 0.00 0.00 175.35 175.03 1fjs s MET 157 N -3.10 1.07 -0.25 1.68 0.23 -0.03 -0.59 119.30 118.30 1fjs s MET 157 Ca 0.23 -1.50 -0.13 0.00 -1.03 0.00 0.00 55.69 53.26 1fjs s MET 157 Cb -0.05 -0.31 0.08 0.00 -1.53 0.00 0.00 34.83 33.01 1fjs s MET 157 CO 0.10 -0.09 0.60 -1.17 -2.03 0.00 0.00 175.02 172.43 1fjs s LEU 158 N -3.16 -0.70 -0.15 0.18 2.96 0.85 -1.78 118.68 116.88 1fjs s LEU 158 Ca 0.21 1.32 -0.28 0.00 -0.22 0.00 0.00 54.13 55.16 1fjs s LEU 158 Cb 0.06 2.05 -0.01 0.00 0.50 0.00 0.00 46.19 48.79 1fjs s LEU 158 CO 0.02 -0.23 0.98 -0.70 -1.32 0.00 0.00 176.35 175.10 1fjs s GLU 159 N 1.68 4.36 -0.13 1.98 2.12 -1.26 -1.01 118.70 126.44 1fjs s GLU 159 Ca -0.09 1.30 0.02 0.00 0.36 0.00 0.00 54.97 56.56 1fjs s GLU 159 Cb -0.07 -3.57 0.01 0.00 0.26 0.00 0.00 34.13 30.76 1fjs s GLU 159 CO -0.18 -0.39 -0.20 0.14 -0.54 0.00 0.00 175.26 174.09 1fjs s VAL 160 N 2.33 1.88 0.45 3.70 -7.23 0.25 -4.94 120.40 116.84 1fjs s VAL 160 Ca 0.45 -0.88 -0.23 0.00 -1.81 0.00 0.00 61.98 59.52 1fjs s VAL 160 Cb -0.17 -1.67 -0.08 0.00 0.56 0.00 0.00 36.38 35.02 1fjs s VAL 160 CO 0.14 0.52 1.11 -2.84 -0.31 0.00 0.00 175.10 173.71 1fjs s PRO 161 N 0.82 3.87 0.57 4.82 0.02 -1.26 -0.78 135.00 143.05 1fjs s PRO 161 Ca -0.08 1.63 -0.19 0.00 0.02 0.00 0.00 61.00 62.38 1fjs s PRO 161 Cb -0.16 -2.39 -0.05 0.00 0.02 0.00 0.00 34.50 31.93 1fjs s PRO 161 CO -0.01 -0.42 1.17 0.71 -0.33 0.00 0.00 177.00 178.12 1fjs s TYR 162 N -1.65 2.53 -0.07 6.54 2.02 -0.34 -1.59 117.35 124.79 1fjs s TYR 162 Ca 0.63 1.53 0.05 0.00 -0.37 0.00 0.00 57.07 58.91 1fjs s TYR 162 Cb -0.25 -3.38 -0.01 0.00 -0.40 0.00 0.00 41.96 37.92 1fjs s TYR 162 CO 0.30 -1.90 -0.24 0.08 -1.57 0.00 0.00 175.55 172.23 1fjs s VAL 163 N -1.70 2.17 0.25 0.71 1.01 -0.93 -4.85 120.40 117.06 1fjs s VAL 163 Ca 0.75 -1.02 -0.31 0.00 0.00 0.00 0.00 61.98 61.40 1fjs s VAL 163 Cb -0.27 -1.80 -0.14 0.00 0.00 0.00 0.00 36.38 34.17 1fjs s VAL 163 CO 0.30 0.57 1.32 -0.67 0.00 0.00 0.00 175.10 176.62 1fjs n ASP 164 N 3.02 2.41 -0.25 3.32 2.03 -1.26 -4.58 116.55 121.24 1fjs n ASP 164 Ca -0.18 1.15 0.03 0.00 0.52 0.00 0.00 54.79 56.32 1fjs n ASP 164 Cb 0.52 -1.39 0.16 0.00 -0.72 0.00 0.00 41.12 39.69 1fjs n ASP 164 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 1fjs h ARG 165 N 3.65 0.54 -0.27 -0.67 2.43 -1.98 0.20 114.38 118.27 1fjs h ARG 165 Ca -0.44 -0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 58.64 1fjs h ARG 165 Cb 1.29 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.71 1fjs h ARG 165 CO 0.72 0.36 -0.05 -0.97 -1.51 0.00 0.00 179.97 178.52 1fjs h ASN 166 N 0.56 0.51 -0.31 -3.80 -0.73 -1.99 -0.03 115.58 109.79 1fjs h ASN 166 Ca 0.38 -0.35 -0.02 0.00 1.87 0.00 0.00 56.30 58.19 1fjs h ASN 166 Cb 0.48 -0.14 -0.02 0.00 0.27 0.00 0.00 38.32 38.91 1fjs h ASN 166 CO -0.32 0.74 0.14 0.28 -0.37 0.00 0.00 177.43 177.90 1fjs h SER 167 N 0.28 0.45 0.02 1.15 0.02 -1.80 -0.06 113.55 113.60 1fjs h SER 167 Ca 0.07 -0.04 -0.00 0.00 -0.84 0.00 0.00 61.79 60.98 1fjs h SER 167 Cb 0.51 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.93 1fjs h SER 167 CO 0.02 0.42 -0.01 0.00 -1.14 0.00 0.00 176.83 176.12 1fjs h LYS 169 N -0.09 0.29 0.00 0.00 1.57 -0.17 -2.95 116.57 115.23 1fjs h LYS 169 Ca -0.00 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 1fjs h LYS 169 Cb 0.08 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.33 1fjs h LYS 169 CO 0.00 0.25 -0.10 -0.07 -0.57 0.00 0.00 179.45 178.97 1fjs h LEU 170 N 0.24 0.00 -0.06 2.94 3.38 -0.93 -2.79 115.31 118.09 1fjs h LEU 170 Ca 0.07 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.89 1fjs h LEU 170 Cb 0.04 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1fjs h LEU 170 CO -0.01 0.10 -0.74 0.77 0.09 0.00 0.00 178.44 178.64 1fjs h SER 171 N 0.00 0.00 -3.62 -0.43 4.64 -1.23 -3.47 113.55 109.44 1fjs h SER 171 Ca -0.00 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 60.81 1fjs h SER 171 Cb 0.22 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.28 1fjs h SER 171 CO 0.01 0.74 0.03 -0.55 -0.87 0.00 0.00 176.83 176.20 1fjs s SER 172 N -6.59 6.75 0.00 4.97 0.15 -1.06 -4.82 113.70 113.11 1fjs s SER 172 Ca 0.02 1.18 0.22 0.00 0.70 0.00 0.00 55.95 58.07 1fjs s SER 172 Cb 0.09 -2.33 -0.08 0.00 -1.71 0.00 0.00 66.02 61.99 1fjs s SER 172 CO 0.78 -0.14 1.01 -1.20 1.20 0.00 0.00 173.24 174.89 1fjs n SER 173 N -0.18 1.05 -4.53 5.45 7.64 -1.26 -4.91 113.62 116.88 1fjs n SER 173 Ca 0.02 -0.95 -0.25 0.00 1.01 0.00 0.00 58.87 58.69 1fjs n SER 173 Cb 0.53 0.81 -0.10 0.00 -1.01 0.00 0.00 64.21 64.44 1fjs n SER 173 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1fjs s PHE 174 N -2.93 2.38 0.16 1.43 0.08 -1.26 -5.10 117.98 112.74 1fjs s PHE 174 Ca 0.10 -0.43 -0.31 0.00 0.12 0.00 0.00 56.93 56.41 1fjs s PHE 174 Cb 0.17 -1.26 -0.09 0.00 -0.57 0.00 0.00 43.02 41.27 1fjs s PHE 174 CO 0.80 0.62 1.39 0.42 -0.10 0.00 0.00 175.22 178.36 1fjs s ILE 175 N -2.56 3.14 -0.34 0.64 1.01 -1.26 -4.99 121.20 116.83 1fjs s ILE 175 Ca 0.32 0.86 -0.08 0.00 0.00 0.00 0.00 60.65 61.75 1fjs s ILE 175 Cb -0.00 -3.55 0.03 0.00 0.01 0.00 0.00 42.46 38.94 1fjs s ILE 175 CO 0.16 0.09 0.14 -0.63 0.00 0.00 0.00 174.94 174.70 1fjs s ILE 176 N 0.70 4.13 0.74 2.92 -1.09 -1.26 -5.02 121.20 122.32 1fjs s ILE 176 Ca 0.62 -0.91 -0.05 0.00 -2.23 0.00 0.00 60.65 58.08 1fjs s ILE 176 Cb -0.38 -3.27 0.11 0.00 -1.58 0.00 0.00 42.46 37.34 1fjs s ILE 176 CO 0.34 -0.13 1.04 0.42 -1.23 0.00 0.00 174.94 175.38 1fjs s THR 177 N 1.48 2.22 -1.48 2.92 -4.23 -1.26 -4.96 115.64 110.33 1fjs s THR 177 Ca 0.01 -0.38 0.17 0.00 -1.18 0.00 0.00 61.69 60.31 1fjs s THR 177 Cb -0.19 -2.83 0.32 0.00 1.34 0.00 0.00 72.50 71.14 1fjs s THR 177 CO 0.04 0.00 1.51 0.00 -0.54 0.00 0.00 174.62 175.63 1fjs n GLN 178 N -2.98 0.28 -0.95 3.99 6.02 -1.26 -2.08 117.38 120.39 1fjs n GLN 178 Ca 0.12 0.11 0.03 0.00 -0.01 0.00 0.00 57.00 57.25 1fjs n GLN 178 Cb 0.60 -1.50 0.38 0.00 1.02 0.00 0.00 30.24 30.74 1fjs n GLN 178 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1fjs n ASN 179 N -1.26 5.53 -3.95 1.08 3.02 -1.26 -4.89 115.26 113.53 1fjs n ASN 179 Ca 0.09 -3.02 -0.08 0.00 -0.03 0.00 0.00 54.58 51.53 1fjs n ASN 179 Cb 0.13 -0.71 -0.08 0.00 -0.61 0.00 0.00 39.78 38.51 1fjs n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1fjs s MET 180 N -2.84 0.73 0.08 3.52 -1.94 -0.89 -0.75 119.30 117.22 1fjs s MET 180 Ca 0.55 -1.03 -0.09 0.00 -1.71 0.00 0.00 55.69 53.41 1fjs s MET 180 Cb 0.43 0.28 0.00 0.00 2.01 0.00 0.00 34.83 37.55 1fjs s MET 180 CO 0.15 -0.20 0.21 -0.59 -0.01 0.00 0.00 175.02 174.58 1fjs s PHE 181 N -3.75 0.11 0.04 -0.03 -0.12 -0.27 -4.74 117.98 109.21 1fjs s PHE 181 Ca 0.05 -0.50 0.01 0.00 -0.05 0.00 0.00 56.93 56.44 1fjs s PHE 181 Cb 0.05 -0.03 -0.04 0.00 -0.63 0.00 0.00 43.02 42.37 1fjs s PHE 181 CO -0.10 -0.54 0.12 0.00 -0.05 0.00 0.00 175.22 174.65 1fjs s ALA 183 N -1.34 -0.88 0.00 0.00 0.00 -0.47 -2.19 121.76 116.89 1fjs s ALA 183 Ca 0.28 0.76 0.00 0.00 0.00 0.00 0.00 51.96 53.00 1fjs s ALA 183 Cb -0.12 -0.32 0.00 0.00 0.00 0.00 0.00 23.12 22.68 1fjs s ALA 183 CO 0.20 -0.21 0.00 0.41 0.00 0.00 0.00 175.76 176.16 1fjs n GLY 184 N 2.20 0.90 3.48 0.00 0.00 -0.62 -1.36 105.19 109.80 1fjs n GLY 184 Ca -0.17 -1.95 -0.33 0.00 0.00 0.00 0.00 46.02 43.57 1fjs n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1fjs s TYR 185 N -2.06 2.79 -0.02 1.61 2.02 -1.26 -4.25 117.35 116.18 1fjs s TYR 185 Ca 0.00 -0.22 -0.24 0.00 -0.37 0.00 0.00 57.07 56.25 1fjs s TYR 185 Cb 0.00 -1.70 -0.21 0.00 -0.40 0.00 0.00 41.96 39.65 1fjs s TYR 185 CO 0.00 0.13 1.14 0.22 -1.57 0.00 0.00 175.55 175.47 1fjs h ASP 185 N 5.65 0.24 0.00 2.29 1.82 -1.91 -3.42 116.42 121.09 1fjs h ASP 185 Ca -0.42 -0.67 0.00 0.00 -0.39 0.00 0.00 57.03 55.55 1fjs h ASP 185 Cb 1.17 -0.07 0.00 0.00 0.68 0.00 0.00 39.33 41.11 1fjs h ASP 185 CO 0.52 0.86 0.00 0.35 -1.61 0.00 0.00 179.24 179.37 1fjs n THR 185 N -4.56 0.00 -0.98 2.25 -2.24 -1.26 -0.48 114.28 107.00 1fjs n THR 185 Ca -0.09 0.05 -0.37 0.00 -2.27 0.00 0.00 64.05 61.37 1fjs n THR 185 Cb 0.44 -0.11 -0.04 0.00 -2.10 0.00 0.00 70.33 68.52 1fjs n THR 185 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1fjs n LYS 186 N -0.26 0.00 -1.66 -0.78 5.02 -1.26 -4.56 118.16 114.66 1fjs n LYS 186 Ca 0.00 0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 55.93 1fjs n LYS 186 Cb 0.00 -0.87 -0.03 0.00 -0.02 0.00 0.00 35.03 34.11 1fjs n LYS 186 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1fjs n GLN 187 N 0.87 3.87 -4.88 1.97 3.00 -1.26 -4.61 117.38 116.33 1fjs n GLN 187 Ca 0.13 -2.78 -0.27 0.00 -0.01 0.00 0.00 57.00 54.06 1fjs n GLN 187 Cb 0.10 -2.56 -0.16 0.00 0.00 0.00 0.00 30.24 27.62 1fjs n GLN 187 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.06 175.85 1fjs s GLU 188 N -0.17 2.08 -0.08 -1.09 2.02 -1.26 -4.55 118.70 115.65 1fjs s GLU 188 Ca 0.60 -0.64 -0.32 0.00 0.02 0.00 0.00 54.97 54.63 1fjs s GLU 188 Cb 0.22 -1.71 0.12 0.00 0.10 0.00 0.00 34.13 32.86 1fjs s GLU 188 CO -0.10 0.19 1.17 0.34 0.02 0.00 0.00 175.26 176.89 1fjs s ASP 189 N 0.24 -0.14 1.11 -0.19 2.15 -0.46 -4.38 116.67 114.99 1fjs s ASP 189 Ca -0.10 -0.08 -0.17 0.00 0.43 0.00 0.00 52.55 52.64 1fjs s ASP 189 Cb -0.14 0.21 0.24 0.00 -0.30 0.00 0.00 42.92 42.93 1fjs s ASP 189 CO 0.04 -0.36 1.13 0.00 -0.17 0.00 0.00 175.17 175.81 1fjs s ALA 190 N -2.58 0.94 0.40 3.66 0.00 -1.26 -0.29 121.76 122.62 1fjs s ALA 190 Ca 0.11 -0.80 -0.15 0.00 0.00 0.00 0.00 51.96 51.12 1fjs s ALA 190 Cb 0.01 -2.94 0.06 0.00 0.00 0.00 0.00 23.12 20.24 1fjs s ALA 190 CO -0.04 -3.19 0.79 0.00 0.00 0.00 0.00 175.76 173.32 1fjs n GLN 192 N -0.54 2.02 0.00 0.00 7.27 -1.26 -1.27 117.38 123.59 1fjs n GLN 192 Ca -0.09 0.72 0.00 0.00 0.07 0.00 0.00 57.00 57.71 1fjs n GLN 192 Cb 0.60 -2.44 0.00 0.00 2.41 0.00 0.00 30.24 30.81 1fjs n GLN 192 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1fjs n GLY 193 N 2.88 2.75 0.13 1.69 0.00 -1.26 0.10 105.19 111.48 1fjs n GLY 193 Ca 0.15 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.30 1fjs n GLY 193 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1fjs h ASP 194 N 0.26 0.00 -2.66 1.61 3.32 -1.48 -3.33 116.42 114.14 1fjs h ASP 194 Ca 0.00 -0.01 -0.60 0.00 0.02 0.00 0.00 57.03 56.44 1fjs h ASP 194 Cb 0.00 0.00 0.11 0.00 0.22 0.00 0.00 39.33 39.66 1fjs h ASP 194 CO 0.00 0.00 0.25 -1.20 -1.72 0.00 0.00 179.24 176.58 1fjs n SER 195 N -2.46 1.73 0.00 6.45 7.64 -1.26 -1.28 113.62 124.44 1fjs n SER 195 Ca 0.05 1.18 0.00 0.00 1.01 0.00 0.00 58.87 61.11 1fjs n SER 195 Cb 0.46 -1.34 0.00 0.00 -1.01 0.00 0.00 64.21 62.32 1fjs n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1fjs n GLY 196 N 1.20 2.06 3.91 0.23 0.00 0.74 0.12 105.19 113.45 1fjs n GLY 196 Ca 0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 1fjs n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1fjs s GLY 197 N -1.96 1.77 0.35 -0.02 0.00 -0.40 -2.79 107.32 104.26 1fjs s GLY 197 Ca 0.00 -1.18 -0.24 0.00 0.00 0.00 0.00 44.72 43.30 1fjs s GLY 197 CO 0.00 -0.41 0.93 2.56 0.00 0.00 0.00 173.10 176.18 1fjs s PRO 198 N -5.86 4.46 -0.17 2.90 0.04 -1.26 -1.67 135.00 133.44 1fjs s PRO 198 Ca 0.74 1.24 -0.01 0.00 0.04 0.00 0.00 61.00 63.00 1fjs s PRO 198 Cb -0.04 -2.62 0.05 0.00 0.04 0.00 0.00 34.50 31.92 1fjs s PRO 198 CO 0.53 0.20 -0.01 -1.58 0.04 0.00 0.00 177.00 176.18 1fjs s HIS 199 N -1.78 1.37 0.22 0.56 2.46 -0.92 -2.97 115.29 114.23 1fjs s HIS 199 Ca 0.53 -0.95 0.11 0.00 0.47 0.00 0.00 55.06 55.22 1fjs s HIS 199 Cb -0.16 -1.16 -0.05 0.00 -0.13 0.00 0.00 32.58 31.09 1fjs s HIS 199 CO 0.20 -0.60 -0.22 0.14 -2.47 0.00 0.00 174.74 171.80 1fjs s VAL 200 N 1.74 2.32 -0.09 0.89 -7.23 0.01 -1.21 120.40 116.82 1fjs s VAL 200 Ca -0.00 -2.13 0.03 0.00 -1.81 0.00 0.00 61.98 58.06 1fjs s VAL 200 Cb -0.16 -2.14 0.01 0.00 0.56 0.00 0.00 36.38 34.64 1fjs s VAL 200 CO -0.07 -0.23 -0.18 -0.89 -0.31 0.00 0.00 175.10 173.42 1fjs s THR 201 N -1.98 1.62 0.00 5.32 2.01 -0.06 0.53 115.64 123.08 1fjs s THR 201 Ca 0.23 -0.75 -0.20 0.00 0.31 0.00 0.00 61.69 61.27 1fjs s THR 201 Cb -0.07 -1.44 -0.05 0.00 0.01 0.00 0.00 72.50 70.95 1fjs s THR 201 CO 0.11 0.46 0.60 -0.60 -0.69 0.00 0.00 174.62 174.50 1fjs s ARG 202 N 0.61 4.31 -0.16 4.92 3.52 -1.26 -1.35 118.95 129.53 1fjs s ARG 202 Ca -0.14 0.74 -0.04 0.00 -0.13 0.00 0.00 55.73 56.16 1fjs s ARG 202 Cb -0.16 -3.33 0.06 0.00 -1.56 0.00 0.00 34.95 29.95 1fjs s ARG 202 CO 0.05 0.39 0.07 0.12 -0.81 0.00 0.00 175.30 175.12 1fjs s PHE 203 N -0.28 0.39 -1.27 5.12 5.36 0.82 -4.89 117.98 123.24 1fjs s PHE 203 Ca 0.31 -0.37 -0.05 0.00 -0.96 0.00 0.00 56.93 55.86 1fjs s PHE 203 Cb -0.18 -0.75 -0.01 0.00 -0.34 0.00 0.00 43.02 41.74 1fjs s PHE 203 CO 0.17 -0.49 0.70 1.63 -1.46 0.00 0.00 175.22 175.77 1fjs n LYS 204 N 5.22 -3.75 -1.11 10.12 5.02 -1.26 -1.89 118.16 130.52 1fjs n LYS 204 Ca -0.07 0.58 -0.04 0.00 -2.02 0.00 0.00 58.31 56.76 1fjs n LYS 204 Cb 0.49 -4.94 -0.02 0.00 -0.02 0.00 0.00 35.03 30.54 1fjs n LYS 204 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1fjs n ASP 205 N -2.99 -4.65 -4.17 4.39 8.00 -1.26 -4.99 116.55 110.89 1fjs n ASP 205 Ca -0.24 0.10 -0.26 0.00 0.71 0.00 0.00 54.79 55.09 1fjs n ASP 205 Cb 0.66 -2.49 -0.16 0.00 -0.02 0.00 0.00 41.12 39.11 1fjs n ASP 205 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1fjs s THR 206 N -1.75 1.50 -0.25 -3.53 2.01 -0.79 -5.12 115.64 107.71 1fjs s THR 206 Ca 0.00 -0.78 -0.09 0.00 0.31 0.00 0.00 61.69 61.13 1fjs s THR 206 Cb 0.00 -1.27 -0.04 0.00 0.01 0.00 0.00 72.50 71.20 1fjs s THR 206 CO 0.00 0.43 0.12 -0.31 -0.69 0.00 0.00 174.62 174.17 1fjs s TYR 207 N -0.19 3.20 -0.03 4.92 1.51 -1.26 -0.13 117.35 125.37 1fjs s TYR 207 Ca 0.01 -0.05 0.02 0.00 -1.01 0.00 0.00 57.07 56.04 1fjs s TYR 207 Cb -0.10 -2.26 -0.03 0.00 -0.11 0.00 0.00 41.96 39.46 1fjs s TYR 207 CO 0.01 -0.13 -0.06 -0.06 -1.11 0.00 0.00 175.55 174.20 1fjs s PHE 208 N 1.34 2.93 0.02 2.71 0.40 -0.46 -1.89 117.98 123.03 1fjs s PHE 208 Ca 0.06 0.00 -0.30 0.00 -0.60 0.00 0.00 56.93 56.09 1fjs s PHE 208 Cb -0.15 -1.66 -0.06 0.00 0.51 0.00 0.00 43.02 41.67 1fjs s PHE 208 CO 0.06 0.36 1.36 0.08 0.70 0.00 0.00 175.22 177.78 1fjs s VAL 209 N -0.92 3.73 0.00 -0.44 1.01 0.07 -0.88 120.40 122.97 1fjs s VAL 209 Ca 0.15 1.15 0.00 0.00 0.00 0.00 0.00 61.98 63.28 1fjs s VAL 209 Cb -0.11 -3.74 0.00 0.00 0.00 0.00 0.00 36.38 32.53 1fjs s VAL 209 CO 0.05 0.02 0.00 0.35 0.00 0.00 0.00 175.10 175.52 1fjs n THR 210 N 4.48 0.00 -3.81 3.92 -2.24 -0.35 -4.52 114.28 111.76 1fjs n THR 210 Ca 0.12 -0.31 -0.05 0.00 -2.27 0.00 0.00 64.05 61.54 1fjs n THR 210 Cb 0.44 0.95 -0.00 0.00 -2.10 0.00 0.00 70.33 69.62 1fjs n THR 210 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1fjs s GLY 211 N -0.73 -0.03 -0.05 3.38 0.00 -0.64 -3.04 107.32 106.21 1fjs s GLY 211 Ca 0.00 -0.18 0.01 0.00 0.00 0.00 0.00 44.72 44.55 1fjs s GLY 211 CO 0.00 0.58 -0.05 -0.42 0.00 0.00 0.00 173.10 173.21 1fjs s ILE 212 N -2.93 0.59 -0.03 0.90 1.01 -1.15 -2.17 121.20 117.42 1fjs s ILE 212 Ca 0.15 -0.15 -0.31 0.00 0.00 0.00 0.00 60.65 60.34 1fjs s ILE 212 Cb -0.03 -0.61 -0.09 0.00 0.01 0.00 0.00 42.46 41.73 1fjs s ILE 212 CO 0.05 0.24 1.98 0.52 0.00 0.00 0.00 174.94 177.73 1fjs n VAL 213 N 4.09 0.67 -0.02 2.92 0.31 -0.67 -1.11 118.33 124.52 1fjs n VAL 213 Ca -0.24 -0.17 -0.04 0.00 -0.01 0.00 0.00 64.34 63.89 1fjs n VAL 213 Cb 0.51 -2.21 -0.01 0.00 -0.91 0.00 0.00 33.84 31.21 1fjs n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1fjs n SER 214 N 7.78 1.21 -2.42 4.52 2.88 -0.67 -0.19 113.62 126.74 1fjs n SER 214 Ca 0.22 0.19 -0.04 0.00 -1.33 0.00 0.00 58.87 57.91 1fjs n SER 214 Cb 0.38 -0.50 0.02 0.00 -0.75 0.00 0.00 64.21 63.36 1fjs n SER 214 CO 0.00 0.00 0.00 -2.67 -1.23 0.00 0.00 175.04 171.14 1fjs n TRP 215 N -3.68 -1.59 0.00 0.66 4.27 -0.83 -4.86 117.44 111.41 1fjs n TRP 215 Ca -0.06 -1.12 0.00 0.00 -3.89 0.00 0.00 57.50 52.43 1fjs n TRP 215 Cb 0.22 0.56 0.00 0.00 -1.36 0.00 0.00 31.31 30.73 1fjs n TRP 215 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1fjs n GLY 216 N -0.44 1.08 3.55 -1.67 0.00 -1.26 -0.78 105.19 105.68 1fjs n GLY 216 Ca -0.04 -0.17 -0.40 0.00 0.00 0.00 0.00 46.02 45.41 1fjs n GLY 216 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1fjs s GLU 217 N -1.70 3.21 3.45 1.61 2.02 -1.26 -4.78 118.70 121.26 1fjs s GLU 217 Ca 0.00 -0.39 0.00 0.00 0.02 0.00 0.00 54.97 54.60 1fjs s GLU 217 Cb 0.00 -4.54 0.00 0.00 0.10 0.00 0.00 34.13 29.69 1fjs s GLU 217 CO 0.00 -2.27 0.00 0.41 0.02 0.00 0.00 175.26 173.42 1fjs n GLY 218 N 5.86 0.21 3.24 -1.39 0.00 -1.26 -4.67 105.19 107.19 1fjs n GLY 218 Ca 0.14 -0.91 -0.09 0.00 0.00 0.00 0.00 46.02 45.16 1fjs n GLY 218 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fjs n ALA 221 N 5.17 -0.35 -1.77 0.00 0.00 -1.26 -4.59 120.51 117.71 1fjs n ALA 221 Ca -0.11 0.12 -0.38 0.00 0.00 0.00 0.00 53.44 53.06 1fjs n ALA 221 Cb 0.51 -1.53 -0.06 0.00 0.00 0.00 0.00 19.45 18.36 1fjs n ALA 221 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1fjs s ARG 222 N -4.40 4.72 0.37 0.00 0.52 -1.26 -4.54 118.95 114.35 1fjs s ARG 222 Ca 0.00 1.41 -0.28 0.00 -0.52 0.00 0.00 55.73 56.34 1fjs s ARG 222 Cb 0.00 -3.03 -0.10 0.00 0.52 0.00 0.00 34.95 32.33 1fjs s ARG 222 CO 0.00 0.40 1.39 -1.59 0.02 0.00 0.00 175.30 175.52 1fjs s LYS 223 N -1.63 4.14 0.00 3.54 -2.85 -1.26 -1.94 119.74 119.74 1fjs s LYS 223 Ca 0.46 2.38 0.00 0.00 -1.00 0.00 0.00 55.97 57.81 1fjs s LYS 223 Cb -0.22 -2.95 0.00 0.00 -2.06 0.00 0.00 37.83 32.60 1fjs s LYS 223 CO 0.28 -0.43 0.00 0.41 0.10 0.00 0.00 175.35 175.70 1fjs n GLY 223 N 0.61 1.65 3.50 0.59 0.00 0.36 -4.99 105.19 106.91 1fjs n GLY 223 Ca 0.01 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.76 1fjs n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fjs s LYS 224 N -0.05 1.82 0.32 1.61 -0.14 -0.82 -4.75 119.74 117.73 1fjs s LYS 224 Ca 0.00 -1.32 0.06 0.00 -1.36 0.00 0.00 55.97 53.36 1fjs s LYS 224 Cb 0.00 -2.05 -0.06 0.00 -1.68 0.00 0.00 37.83 34.03 1fjs s LYS 224 CO 0.00 0.44 -0.02 0.71 -0.76 0.00 0.00 175.35 175.72 1fjs s TYR 225 N -1.52 2.09 0.12 3.18 2.02 -1.26 -4.56 117.35 117.41 1fjs s TYR 225 Ca 0.22 -0.74 -0.17 0.00 -0.37 0.00 0.00 57.07 56.00 1fjs s TYR 225 Cb -0.09 -1.29 -0.07 0.00 -0.40 0.00 0.00 41.96 40.11 1fjs s TYR 225 CO 0.12 0.26 0.58 0.20 -1.57 0.00 0.00 175.55 175.15 1fjs s GLY 226 N -3.51 2.59 -0.10 0.71 0.00 -0.46 -4.57 107.32 101.98 1fjs s GLY 226 Ca 0.33 -0.01 -0.02 0.00 0.00 0.00 0.00 44.72 45.01 1fjs s GLY 226 CO 0.14 0.35 0.00 -0.42 0.00 0.00 0.00 173.10 173.18 1fjs s ILE 227 N -1.30 4.29 0.09 0.90 -1.09 0.04 -1.36 121.20 122.77 1fjs s ILE 227 Ca 0.34 -0.25 0.07 0.00 -2.23 0.00 0.00 60.65 58.58 1fjs s ILE 227 Cb -0.17 -2.82 -0.03 0.00 -1.58 0.00 0.00 42.46 37.85 1fjs s ILE 227 CO 0.19 0.58 -0.18 -0.31 -1.23 0.00 0.00 174.94 174.00 1fjs s TYR 228 N -0.66 1.52 0.05 3.97 1.51 -0.29 -1.66 117.35 121.79 1fjs s TYR 228 Ca 0.11 -0.44 -0.31 0.00 -1.01 0.00 0.00 57.07 55.42 1fjs s TYR 228 Cb -0.12 -0.84 -0.06 0.00 -0.11 0.00 0.00 41.96 40.84 1fjs s TYR 228 CO 0.02 0.14 1.24 0.99 -1.11 0.00 0.00 175.55 176.83 1fjs s THR 229 N -1.23 3.94 -0.83 -0.71 2.01 -0.27 -1.12 115.64 117.44 1fjs s THR 229 Ca 0.03 1.38 -0.25 0.00 0.31 0.00 0.00 61.69 63.15 1fjs s THR 229 Cb -0.10 -3.88 0.01 0.00 0.01 0.00 0.00 72.50 68.54 1fjs s THR 229 CO 0.03 0.09 1.58 -0.75 -0.69 0.00 0.00 174.62 174.88 1fjs s LYS 230 N 1.30 3.06 0.40 4.92 2.20 0.07 -2.94 119.74 128.75 1fjs s LYS 230 Ca 0.60 -0.33 0.07 0.00 -0.36 0.00 0.00 55.97 55.94 1fjs s LYS 230 Cb -0.30 -4.74 0.83 0.00 -1.51 0.00 0.00 37.83 32.11 1fjs s LYS 230 CO 0.28 -2.53 2.03 0.28 -0.36 0.00 0.00 175.35 175.05 1fjs h VAL 231 N 6.68 1.08 -0.07 4.02 2.07 -1.86 -2.48 116.25 125.69 1fjs h VAL 231 Ca -0.06 -0.21 0.02 0.00 0.82 0.00 0.00 66.70 67.27 1fjs h VAL 231 Cb 1.05 0.42 -0.00 0.00 -1.52 0.00 0.00 31.29 31.24 1fjs h VAL 231 CO 1.30 0.11 0.09 0.71 0.02 0.00 0.00 177.57 179.80 1fjs h THR 232 N 0.61 0.47 0.00 2.57 1.35 -1.89 0.11 112.91 116.13 1fjs h THR 232 Ca 0.19 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.05 1fjs h THR 232 Cb 0.03 0.93 0.00 0.00 -1.73 0.00 0.00 68.15 67.38 1fjs h THR 232 CO -0.05 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.22 1fjs n ALA 233 N -2.31 2.39 -0.83 6.62 0.00 -0.93 -3.58 120.51 121.87 1fjs n ALA 233 Ca -0.01 -0.12 0.05 0.00 0.00 0.00 0.00 53.44 53.37 1fjs n ALA 233 Cb 0.18 -1.48 0.08 0.00 0.00 0.00 0.00 19.45 18.23 1fjs n ALA 233 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1fjs n PHE 234 N -1.41 0.00 -0.33 0.00 3.72 0.37 -4.77 117.46 115.03 1fjs n PHE 234 Ca 0.10 -0.69 -0.04 0.00 -0.05 0.00 0.00 57.45 56.77 1fjs n PHE 234 Cb 0.30 -0.10 0.09 0.00 -0.94 0.00 0.00 39.48 38.83 1fjs n PHE 234 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 1fjs h LEU 235 N 0.00 1.10 -0.52 4.37 3.38 -1.55 0.18 115.31 122.27 1fjs h LEU 235 Ca 0.00 -0.08 -0.16 0.00 0.09 0.00 0.00 57.88 57.73 1fjs h LEU 235 Cb 0.89 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 1fjs h LEU 235 CO 0.00 0.86 -0.50 0.50 0.09 0.00 0.00 178.44 179.39 1fjs h LYS 236 N 1.24 0.63 -0.40 1.13 1.63 -1.87 -0.72 116.57 118.22 1fjs h LYS 236 Ca 0.32 -0.37 -0.02 0.00 -0.85 0.00 0.00 60.65 59.72 1fjs h LYS 236 Cb -0.02 0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 31.62 1fjs h LYS 236 CO -0.06 0.98 0.16 2.35 -3.45 0.00 0.00 179.45 179.44 1fjs h TRP 237 N 0.50 0.62 -0.12 1.91 7.01 -1.68 -0.52 115.95 123.66 1fjs h TRP 237 Ca 0.02 -0.05 -0.01 0.00 2.11 0.00 0.00 58.89 60.97 1fjs h TRP 237 Cb 1.05 -0.18 -0.01 0.00 -2.10 0.00 0.00 29.16 27.92 1fjs h TRP 237 CO 0.05 0.55 0.05 0.82 -2.79 0.00 0.00 178.44 177.12 1fjs h ILE 238 N 0.51 1.14 -0.10 2.65 2.04 -0.57 -0.62 117.51 122.56 1fjs h ILE 238 Ca 0.13 -0.41 0.04 0.00 1.00 0.00 0.00 64.86 65.62 1fjs h ILE 238 Cb 0.19 1.19 -0.05 0.00 -0.74 0.00 0.00 36.82 37.41 1fjs h ILE 238 CO -0.01 0.13 -0.21 -0.78 0.00 0.00 0.00 178.15 177.28 1fjs h ASP 239 N 0.05 -0.63 -0.45 1.72 3.58 -0.95 -0.22 116.42 119.53 1fjs h ASP 239 Ca 0.04 0.10 0.05 0.00 0.42 0.00 0.00 57.03 57.64 1fjs h ASP 239 Cb 0.15 0.28 -0.04 0.00 1.72 0.00 0.00 39.33 41.44 1fjs h ASP 239 CO -0.00 -0.26 0.19 0.03 -2.88 0.00 0.00 179.24 176.32 1fjs h ARG 240 N -0.28 0.37 -0.47 0.28 3.08 -0.99 -1.92 114.38 114.46 1fjs h ARG 240 Ca 0.09 -0.02 0.07 0.00 0.07 0.00 0.00 59.98 60.19 1fjs h ARG 240 Cb 0.41 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.35 1fjs h ARG 240 CO -0.26 0.25 0.32 0.77 -1.07 0.00 0.00 179.97 179.98 1fjs h SER 241 N 0.38 0.31 0.61 7.04 0.02 -0.43 -1.34 113.55 120.14 1fjs h SER 241 Ca 0.20 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.16 1fjs h SER 241 Cb 0.16 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.63 1fjs h SER 241 CO -0.18 0.20 0.00 0.23 -1.14 0.00 0.00 176.83 175.94 1fjs n MET 242 N -4.47 0.30 -0.71 3.45 2.81 -0.16 -2.49 117.12 115.84 1fjs n MET 242 Ca 0.07 0.03 0.09 0.00 -1.81 0.00 0.00 57.70 56.08 1fjs n MET 242 Cb 0.29 -1.50 0.38 0.00 -0.71 0.00 0.00 33.22 31.67 1fjs n MET 242 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1fjs n LYS 243 N -1.34 4.13 0.00 0.03 5.02 -0.51 -5.10 118.16 120.41 1fjs n LYS 243 Ca 0.11 -2.99 0.00 0.00 -2.02 0.00 0.00 58.31 53.41 1fjs n LYS 243 Cb 0.24 -2.02 0.00 0.00 -0.02 0.00 0.00 35.03 33.23 1fjs n LYS 243 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29