#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xfj s LEU 6 N 0.00 4.37 0.36 0.00 1.43 -1.26 -4.96 118.68 118.62 1xfj s LEU 6 Ca 0.00 2.57 -0.27 0.00 -1.03 0.00 0.00 54.13 55.40 1xfj s LEU 6 Cb 0.00 -3.60 -0.09 0.00 0.03 0.00 0.00 46.19 42.53 1xfj s LEU 6 CO 0.00 -0.78 1.27 -2.84 0.23 0.00 0.00 176.35 174.22 1xfj s PRO 7 N 0.96 4.23 0.08 1.29 0.02 -1.26 -5.02 135.00 135.30 1xfj s PRO 7 Ca 0.68 2.10 -0.08 0.00 0.02 0.00 0.00 61.00 63.73 1xfj s PRO 7 Cb -0.42 -2.93 -0.01 0.00 0.02 0.00 0.00 34.50 31.16 1xfj s PRO 7 CO 0.32 -0.26 0.16 0.95 -0.33 0.00 0.00 177.00 177.85 1xfj s THR 8 N -1.22 0.15 -0.21 0.99 -4.23 -1.26 -4.00 115.64 105.86 1xfj s THR 8 Ca 0.52 -1.26 -0.05 0.00 -1.18 0.00 0.00 61.69 59.73 1xfj s THR 8 Cb -0.37 -1.35 -0.02 0.00 1.34 0.00 0.00 72.50 72.10 1xfj s THR 8 CO 0.48 -0.70 -0.01 -0.69 -0.54 0.00 0.00 174.62 173.17 1xfj s VAL 9 N -3.84 3.73 0.18 2.29 1.01 -0.11 -4.96 120.40 118.70 1xfj s VAL 9 Ca 0.05 -0.38 0.10 0.00 0.00 0.00 0.00 61.98 61.75 1xfj s VAL 9 Cb 0.05 -2.69 -0.04 0.00 0.00 0.00 0.00 36.38 33.70 1xfj s VAL 9 CO -0.11 0.42 -0.21 -1.10 0.00 0.00 0.00 175.10 174.10 1xfj s GLN 10 N 1.22 1.41 -0.11 2.72 -0.21 -1.26 -1.71 119.66 121.72 1xfj s GLN 10 Ca 0.03 -1.47 -0.03 0.00 0.02 0.00 0.00 55.36 53.90 1xfj s GLN 10 Cb -0.15 -1.62 -0.03 0.00 1.00 0.00 0.00 33.01 32.21 1xfj s GLN 10 CO 0.00 0.34 0.02 0.45 -2.12 0.00 0.00 175.29 173.98 1xfj s SER 11 N -2.67 5.35 0.56 5.90 0.15 -1.26 -5.00 113.70 116.73 1xfj s SER 11 Ca 0.18 0.13 0.27 0.00 0.70 0.00 0.00 55.95 57.23 1xfj s SER 11 Cb -0.07 -1.65 1.65 0.00 -1.71 0.00 0.00 66.02 64.24 1xfj s SER 11 CO 0.08 0.32 2.20 -0.65 1.20 0.00 0.00 173.24 176.39 1xfj h PRO 12 N 5.59 0.00 0.00 5.44 0.11 -2.00 -0.16 132.00 140.98 1xfj h PRO 12 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1xfj h PRO 12 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1xfj h PRO 12 CO 0.58 0.03 0.00 -0.07 -0.21 0.00 0.00 178.00 178.34 1xfj h LEU 13 N 0.00 0.00 0.00 2.35 4.07 -2.00 -3.32 115.31 116.41 1xfj h LEU 13 Ca -0.00 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.95 1xfj h LEU 13 Cb 0.08 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 41.82 1xfj h LEU 13 CO 0.00 0.00 -1.05 0.18 -1.08 0.00 0.00 178.44 176.49 1xfj n LEU 14 N -2.37 0.00 0.30 1.67 4.77 -0.60 -4.73 117.00 116.04 1xfj n LEU 14 Ca 0.02 0.00 0.17 0.00 -0.03 0.00 0.00 56.01 56.18 1xfj n LEU 14 Cb 0.28 0.02 0.96 0.00 -2.33 0.00 0.00 43.42 42.34 1xfj n LEU 14 CO 0.23 0.02 1.10 0.77 -1.33 0.00 0.00 177.39 178.18 1xfj h SER 15 N 0.00 0.00 0.71 -1.43 4.64 -1.16 -2.22 113.55 114.09 1xfj h SER 15 Ca -0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1xfj h SER 15 Cb 0.84 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.93 1xfj h SER 15 CO 0.00 0.03 -0.24 -1.54 -0.87 0.00 0.00 176.83 174.21 1xfj n SER 16 N -3.49 0.28 -4.61 4.97 3.41 -1.26 -4.83 113.62 108.10 1xfj n SER 16 Ca -0.02 0.05 -0.43 0.00 -0.26 0.00 0.00 58.87 58.21 1xfj n SER 16 Cb 0.13 -0.11 -0.02 0.00 -0.26 0.00 0.00 64.21 63.95 1xfj n SER 16 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1xfj s LEU 17 N -2.95 3.68 0.43 1.04 1.43 -0.84 -5.01 118.68 116.46 1xfj s LEU 17 Ca 0.14 0.73 -0.24 0.00 -1.03 0.00 0.00 54.13 53.73 1xfj s LEU 17 Cb 0.18 -3.54 -0.08 0.00 0.03 0.00 0.00 46.19 42.78 1xfj s LEU 17 CO 0.60 -1.25 1.16 -2.16 0.23 0.00 0.00 176.35 174.93 1xfj s PRO 18 N 4.49 3.89 0.00 1.29 0.04 -1.26 -2.81 135.00 140.64 1xfj s PRO 18 Ca 0.53 1.78 0.00 0.00 0.04 0.00 0.00 61.00 63.35 1xfj s PRO 18 Cb -0.11 -2.51 0.00 0.00 0.04 0.00 0.00 34.50 31.92 1xfj s PRO 18 CO 0.29 -0.44 0.00 0.41 0.04 0.00 0.00 177.00 177.30 1xfj n GLY 19 N 0.50 0.38 3.00 0.56 0.00 -1.26 -4.99 105.19 103.37 1xfj n GLY 19 Ca 0.06 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.86 1xfj n GLY 19 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xfj s VAL 20 N -1.80 0.91 -0.05 1.61 1.01 -1.12 -0.52 120.40 120.44 1xfj s VAL 20 Ca 0.00 -0.38 0.04 0.00 0.00 0.00 0.00 61.98 61.63 1xfj s VAL 20 Cb 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 36.38 35.54 1xfj s VAL 20 CO 0.00 0.29 -0.16 -0.75 0.00 0.00 0.00 175.10 174.48 1xfj s LYS 21 N 0.50 1.84 0.11 2.72 2.20 -0.70 -4.83 119.74 121.59 1xfj s LYS 21 Ca -0.09 -0.58 -0.02 0.00 -0.36 0.00 0.00 55.97 54.92 1xfj s LYS 21 Cb -0.13 -1.56 -0.04 0.00 -1.51 0.00 0.00 37.83 34.60 1xfj s LYS 21 CO 0.02 0.19 0.05 -3.38 -0.36 0.00 0.00 175.35 171.87 1xfj s HIS 22 N 0.20 0.74 -0.29 4.03 -3.43 -1.26 -0.58 115.29 114.69 1xfj s HIS 22 Ca -0.07 -1.15 -0.25 0.00 -0.80 0.00 0.00 55.06 52.78 1xfj s HIS 22 Cb -0.13 -0.42 0.17 0.00 -1.43 0.00 0.00 32.58 30.77 1xfj s HIS 22 CO 0.03 -0.50 1.32 0.00 -2.00 0.00 0.00 174.74 173.58 1xfj s ALA 23 N -4.01 -2.15 -0.39 -1.38 0.00 -0.43 -4.95 121.76 108.45 1xfj s ALA 23 Ca 0.19 1.74 -0.08 0.00 0.00 0.00 0.00 51.96 53.82 1xfj s ALA 23 Cb 0.07 -1.68 0.07 0.00 0.00 0.00 0.00 23.12 21.58 1xfj s ALA 23 CO -0.01 -0.14 0.20 -0.06 0.00 0.00 0.00 175.76 175.75 1xfj s PHE 24 N 0.09 3.34 0.70 0.00 0.08 -0.69 -1.14 117.98 120.35 1xfj s PHE 24 Ca 0.06 -1.58 -0.11 0.00 0.12 0.00 0.00 56.93 55.42 1xfj s PHE 24 Cb -0.05 -2.76 0.01 0.00 -0.57 0.00 0.00 43.02 39.65 1xfj s PHE 24 CO -0.13 -0.82 1.06 -0.06 -0.10 0.00 0.00 175.22 175.17 1xfj s PHE 25 N 1.39 3.18 0.06 0.36 0.08 -0.25 -0.93 117.98 121.87 1xfj s PHE 25 Ca 0.02 1.33 0.01 0.00 0.12 0.00 0.00 56.93 58.41 1xfj s PHE 25 Cb -0.22 -2.90 0.01 0.00 -0.57 0.00 0.00 43.02 39.34 1xfj s PHE 25 CO 0.02 -1.22 0.05 0.25 -0.10 0.00 0.00 175.22 174.22 1xfj n THR 26 N -3.10 0.00 1.04 0.64 -2.24 -1.26 -4.60 114.28 104.76 1xfj n THR 26 Ca 0.07 -0.24 0.13 0.00 -2.27 0.00 0.00 64.05 61.74 1xfj n THR 26 Cb 0.54 -0.52 0.45 0.00 -2.10 0.00 0.00 70.33 68.70 1xfj n THR 26 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 1xfj n ARG 27 N -0.72 0.07 -3.35 -0.78 1.85 0.31 -4.75 116.66 109.29 1xfj n ARG 27 Ca 0.00 -0.02 -0.32 0.00 -1.00 0.00 0.00 57.85 56.51 1xfj n ARG 27 Cb 0.07 -1.50 -0.05 0.00 -1.05 0.00 0.00 32.46 29.93 1xfj n ARG 27 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 1xfj s GLN 28 N -2.95 3.82 0.00 2.89 -0.21 -1.26 -0.77 119.66 121.17 1xfj s GLN 28 Ca 0.14 0.32 0.00 0.00 0.02 0.00 0.00 55.36 55.84 1xfj s GLN 28 Cb 0.18 -2.61 0.00 0.00 1.00 0.00 0.00 33.01 31.59 1xfj s GLN 28 CO 0.60 0.27 0.00 0.41 -2.12 0.00 0.00 175.29 174.45 1xfj n GLY 29 N -0.28 0.55 0.00 3.09 0.00 -1.26 -4.52 105.19 102.77 1xfj n GLY 29 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1xfj n GLY 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xfj n GLY 30 N -1.76 2.14 0.00 -0.02 0.00 -1.26 -4.82 105.19 99.47 1xfj n GLY 30 Ca 0.00 -2.03 0.00 0.00 0.00 0.00 0.00 46.02 43.99 1xfj n GLY 30 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1xfj n VAL 31 N 0.00 0.00 -1.55 1.61 0.24 -0.88 -4.64 118.33 113.11 1xfj n VAL 31 Ca 0.00 -0.38 -0.34 0.00 -2.04 0.00 0.00 64.34 61.58 1xfj n VAL 31 Cb 0.00 1.08 0.08 0.00 -1.47 0.00 0.00 33.84 33.53 1xfj n VAL 31 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 1xfj s SER 32 N -0.50 4.51 0.41 -1.34 0.01 -0.29 -4.68 113.70 111.82 1xfj s SER 32 Ca 0.00 2.23 0.07 0.00 1.31 0.00 0.00 55.95 59.57 1xfj s SER 32 Cb 0.00 -2.58 -0.05 0.00 0.21 0.00 0.00 66.02 63.60 1xfj s SER 32 CO 0.00 -2.04 0.18 -0.54 0.41 0.00 0.00 173.24 171.25 1xfj s LYS 33 N -3.96 2.23 7.21 12.44 -0.14 -1.26 0.56 119.74 136.83 1xfj s LYS 33 Ca 0.72 -1.82 0.00 0.00 -1.36 0.00 0.00 55.97 53.51 1xfj s LYS 33 Cb -0.26 -2.00 0.00 0.00 -1.68 0.00 0.00 37.83 33.89 1xfj s LYS 33 CO 0.44 -0.10 0.00 0.41 -0.76 0.00 0.00 175.35 175.34 1xfj n GLY 34 N -1.23 3.20 0.30 -3.33 0.00 -1.26 -2.04 105.19 100.84 1xfj n GLY 34 Ca -0.01 -0.23 0.20 0.00 0.00 0.00 0.00 46.02 45.98 1xfj n GLY 34 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 1xfj h ILE 35 N 0.00 0.00 -0.09 -0.61 3.07 -1.98 -0.79 117.51 117.10 1xfj h ILE 35 Ca 0.00 -0.17 0.00 0.00 1.55 0.00 0.00 64.86 66.24 1xfj h ILE 35 Cb 0.00 1.13 0.00 0.00 -0.27 0.00 0.00 36.82 37.68 1xfj h ILE 35 CO 0.00 0.00 0.00 -1.22 -1.05 0.00 0.00 178.15 175.88 1xfj n TYR 36 N -3.00 0.10 0.00 0.16 4.01 -0.87 -4.28 117.16 113.29 1xfj n TYR 36 Ca -0.02 -0.05 0.00 0.00 -0.16 0.00 0.00 57.90 57.67 1xfj n TYR 36 Cb 0.15 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.18 1xfj n TYR 36 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 1xfj n ASP 37 N 0.51 0.00 0.00 7.72 2.03 -0.31 -4.11 116.55 122.40 1xfj n ASP 37 Ca 0.17 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.48 1xfj n ASP 37 Cb 0.41 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.81 1xfj n ASP 37 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1xfj n SER 38 N 0.00 0.00 -3.41 1.67 2.88 0.19 -4.68 113.62 110.27 1xfj n SER 38 Ca 0.00 0.00 -0.40 0.00 -1.33 0.00 0.00 58.87 57.14 1xfj n SER 38 Cb 0.00 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.44 1xfj n SER 38 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 1xfj n LEU 39 N 0.00 8.36 -4.63 2.46 7.94 0.05 -1.13 117.00 130.04 1xfj n LEU 39 Ca 0.00 -4.47 -0.40 0.00 -1.11 0.00 0.00 56.01 50.03 1xfj n LEU 39 Cb 0.00 -1.53 -0.07 0.00 0.53 0.00 0.00 43.42 42.36 1xfj n LEU 39 CO 0.00 1.95 0.31 0.21 -1.11 0.00 0.00 177.39 178.75 1xfj s ASN 40 N 1.85 6.54 0.00 1.96 2.47 -1.26 -4.73 114.94 121.77 1xfj s ASN 40 Ca 0.63 0.65 0.17 0.00 0.42 0.00 0.00 52.86 54.74 1xfj s ASN 40 Cb 0.17 -2.31 0.35 0.00 -1.45 0.00 0.00 41.25 38.01 1xfj s ASN 40 CO -0.07 -0.29 1.27 1.33 -3.72 0.00 0.00 177.10 175.62 1xfj n VAL 41 N 4.98 0.60 -2.14 -5.21 0.24 -0.94 -4.44 118.33 111.42 1xfj n VAL 41 Ca -0.03 -0.80 -0.38 0.00 -2.04 0.00 0.00 64.34 61.09 1xfj n VAL 41 Cb 0.50 0.85 -0.03 0.00 -1.47 0.00 0.00 33.84 33.68 1xfj n VAL 41 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1xfj s GLY 42 N -1.19 0.33 0.57 7.63 0.00 -1.26 -4.83 107.32 108.56 1xfj s GLY 42 Ca 0.30 -0.85 0.35 0.00 0.00 0.00 0.00 44.72 44.53 1xfj s GLY 42 CO 0.24 3.28 2.06 3.21 0.00 0.00 0.00 173.10 181.89 1xfj h ARG 43 N 13.82 0.00 -0.28 2.90 3.08 -1.95 -2.21 114.38 129.74 1xfj h ARG 43 Ca -0.24 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.81 1xfj h ARG 43 Cb 1.13 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.18 1xfj h ARG 43 CO 1.23 0.01 0.00 0.41 -1.07 0.00 0.00 179.97 180.56 1xfj n GLY 44 N -0.20 1.10 3.95 0.04 0.00 -1.26 -4.94 105.19 103.87 1xfj n GLY 44 Ca -0.00 -0.61 -0.28 0.00 0.00 0.00 0.00 46.02 45.13 1xfj n GLY 44 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xfj s SER 45 N -1.55 3.22 -0.13 1.61 1.04 -0.83 -4.99 113.70 112.07 1xfj s SER 45 Ca 0.35 0.05 0.17 0.00 0.48 0.00 0.00 55.95 57.00 1xfj s SER 45 Cb 0.20 -0.10 0.71 0.00 0.10 0.00 0.00 66.02 66.93 1xfj s SER 45 CO 0.29 -2.64 1.61 0.00 0.98 0.00 0.00 173.24 173.48 1xfj n GLN 46 N -3.61 3.82 -1.67 4.02 6.02 -1.26 -4.95 117.38 119.74 1xfj n GLN 46 Ca 0.16 -2.78 -0.29 0.00 -0.01 0.00 0.00 57.00 54.08 1xfj n GLN 46 Cb 0.60 -1.94 0.14 0.00 1.02 0.00 0.00 30.24 30.06 1xfj n GLN 46 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1xfj s ASP 47 N -0.84 3.52 -0.04 1.08 2.15 -1.26 -4.96 116.67 116.32 1xfj s ASP 47 Ca 0.50 0.77 -0.30 0.00 0.43 0.00 0.00 52.55 53.94 1xfj s ASP 47 Cb 0.33 -1.20 -0.06 0.00 -0.30 0.00 0.00 42.92 41.70 1xfj s ASP 47 CO 0.22 -2.52 1.58 -1.61 -0.17 0.00 0.00 175.17 172.67 1xfj s GLU 48 N -5.48 4.20 0.27 4.34 0.41 -1.26 -4.90 118.70 116.28 1xfj s GLU 48 Ca 0.66 2.13 -0.00 0.00 -0.41 0.00 0.00 54.97 57.34 1xfj s GLU 48 Cb -0.11 -3.85 0.56 0.00 -1.78 0.00 0.00 34.13 28.94 1xfj s GLU 48 CO 0.52 -0.78 1.77 -1.35 -0.49 0.00 0.00 175.26 174.93 1xfj h PRO 49 N 8.99 0.64 -0.80 0.39 0.11 -1.94 -1.33 132.00 138.05 1xfj h PRO 49 Ca -0.38 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.66 1xfj h PRO 49 Cb 1.17 -0.14 -0.04 0.00 0.11 0.00 0.00 31.00 32.10 1xfj h PRO 49 CO 0.94 0.42 0.38 0.00 -0.21 0.00 0.00 178.00 179.54 1xfj h ALA 50 N 1.57 1.16 -0.39 -0.75 0.00 -1.99 -0.71 119.26 118.15 1xfj h ALA 50 Ca 0.48 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 55.14 1xfj h ALA 50 Cb 0.67 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1xfj h ALA 50 CO -0.36 0.64 -0.09 -0.44 0.00 0.00 0.00 179.25 178.99 1xfj h ASP 51 N 1.15 0.75 -0.71 0.00 3.32 -1.67 -1.55 116.42 117.71 1xfj h ASP 51 Ca 0.28 -0.36 0.05 0.00 0.02 0.00 0.00 57.03 57.01 1xfj h ASP 51 Cb 0.12 -0.20 -0.05 0.00 0.22 0.00 0.00 39.33 39.41 1xfj h ASP 51 CO -0.03 0.94 0.42 0.58 -1.72 0.00 0.00 179.24 179.43 1xfj h VAL 52 N 0.55 1.03 -0.51 -1.35 2.07 -0.90 0.55 116.25 117.69 1xfj h VAL 52 Ca 0.10 -0.27 -0.06 0.00 0.82 0.00 0.00 66.70 67.28 1xfj h VAL 52 Cb 0.61 0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 1xfj h VAL 52 CO 0.04 0.15 0.08 -0.33 0.02 0.00 0.00 177.57 177.52 1xfj h GLU 53 N 0.80 0.81 -0.53 1.57 4.39 -0.92 -1.26 114.58 119.43 1xfj h GLU 53 Ca 0.30 -0.18 -0.11 0.00 0.34 0.00 0.00 59.36 59.71 1xfj h GLU 53 Cb 0.12 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.64 1xfj h GLU 53 CO -0.15 0.76 -0.10 1.49 -1.16 0.00 0.00 179.01 179.85 1xfj h GLU 54 N 0.77 0.99 -0.50 2.33 4.57 -0.23 -0.76 114.58 121.75 1xfj h GLU 54 Ca 0.16 -0.36 -0.04 0.00 -1.18 0.00 0.00 59.36 57.94 1xfj h GLU 54 Cb 0.36 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.86 1xfj h GLU 54 CO 0.01 1.04 0.15 -0.91 -1.18 0.00 0.00 179.01 178.11 1xfj h ASN 55 N 0.89 0.74 -0.74 1.04 2.35 -0.54 -1.07 115.58 118.24 1xfj h ASN 55 Ca 0.14 -0.21 -0.02 0.00 -0.55 0.00 0.00 56.30 55.65 1xfj h ASN 55 Cb 0.66 -0.19 -0.04 0.00 0.05 0.00 0.00 38.32 38.80 1xfj h ASN 55 CO 0.05 0.76 0.38 0.03 -1.65 0.00 0.00 177.43 176.99 1xfj h ARG 56 N 0.68 1.07 -0.57 0.81 3.08 -1.02 -2.15 114.38 116.27 1xfj h ARG 56 Ca 0.16 -0.14 -0.09 0.00 0.07 0.00 0.00 59.98 59.98 1xfj h ARG 56 Cb 0.29 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.11 1xfj h ARG 56 CO -0.00 0.81 0.02 0.00 -1.07 0.00 0.00 179.97 179.73 1xfj h ALA 57 N 1.35 0.94 -0.69 0.04 0.00 -0.70 -0.71 119.26 119.49 1xfj h ALA 57 Ca 0.26 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1xfj h ALA 57 Cb 0.08 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 1xfj h ALA 57 CO -0.04 0.64 0.34 0.00 0.00 0.00 0.00 179.25 180.19 1xfj h ARG 58 N 0.90 0.99 -0.38 0.00 3.08 -0.69 0.56 114.38 118.85 1xfj h ARG 58 Ca 0.17 -0.14 -0.07 0.00 0.07 0.00 0.00 59.98 60.01 1xfj h ARG 58 Cb 0.51 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.36 1xfj h ARG 58 CO 0.02 0.78 -0.03 0.82 -1.07 0.00 0.00 179.97 180.49 1xfj h ILE 59 N 0.96 1.27 -1.00 2.04 2.04 -1.14 -1.51 117.51 120.17 1xfj h ILE 59 Ca 0.24 -1.06 0.01 0.00 1.00 0.00 0.00 64.86 65.05 1xfj h ILE 59 Cb 0.11 1.19 -0.05 0.00 -0.74 0.00 0.00 36.82 37.34 1xfj h ILE 59 CO -0.03 0.35 0.66 0.00 0.00 0.00 0.00 178.15 179.13 1xfj h ALA 60 N 0.86 1.29 -0.11 1.87 0.00 -0.79 -1.75 119.26 120.63 1xfj h ALA 60 Ca 0.10 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 1xfj h ALA 60 Cb 0.52 -0.40 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1xfj h ALA 60 CO 0.03 0.66 -0.31 -0.09 0.00 0.00 0.00 179.25 179.54 1xfj h ARG 61 N 1.35 0.21 -0.56 0.00 9.65 -0.59 -0.78 114.38 123.65 1xfj h ARG 61 Ca 0.37 -0.08 -0.01 0.00 -1.10 0.00 0.00 59.98 59.15 1xfj h ARG 61 Cb -0.16 -0.01 -0.03 0.00 -1.39 0.00 0.00 29.97 28.38 1xfj h ARG 61 CO -0.08 0.50 0.29 2.35 2.80 0.00 0.00 179.97 185.83 1xfj h TRP 62 N 0.19 0.76 0.00 2.20 7.01 -0.37 -0.98 115.95 124.75 1xfj h TRP 62 Ca 0.03 -0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.01 1xfj h TRP 62 Cb 0.64 -0.25 0.00 0.00 -2.10 0.00 0.00 29.16 27.45 1xfj h TRP 62 CO 0.01 0.55 0.00 1.19 -2.79 0.00 0.00 178.44 177.40 1xfj n PHE 63 N -4.38 0.00 -0.44 2.65 3.72 -0.89 -4.90 117.46 113.22 1xfj n PHE 63 Ca 0.05 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.45 1xfj n PHE 63 Cb 0.11 -0.48 0.00 0.00 -0.94 0.00 0.00 39.48 38.17 1xfj n PHE 63 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1xfj n GLY 64 N 1.42 0.76 0.00 1.37 0.00 -0.37 -5.05 105.19 103.32 1xfj n GLY 64 Ca 0.07 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1xfj n GLY 64 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xfj n GLY 65 N -2.44 7.50 3.60 -0.02 0.00 -0.35 -4.98 105.19 108.50 1xfj n GLY 65 Ca 0.00 -1.96 -0.28 0.00 0.00 0.00 0.00 46.02 43.78 1xfj n GLY 65 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1xfj s GLY 66 N 0.00 2.61 0.53 -0.02 0.00 -1.26 -3.50 107.32 105.67 1xfj s GLY 66 Ca 0.00 -1.37 0.27 0.00 0.00 0.00 0.00 44.72 43.62 1xfj s GLY 66 CO 0.00 -2.00 1.95 -0.56 0.00 0.00 0.00 173.10 172.49 1xfj h PRO 67 N 1.71 0.02 -0.40 2.90 0.13 -1.88 -0.49 132.00 133.99 1xfj h PRO 67 Ca -0.41 -0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.65 1xfj h PRO 67 Cb 1.27 -0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.38 1xfj h PRO 67 CO 0.70 0.02 -0.04 0.93 -0.23 0.00 0.00 178.00 179.38 1xfj h GLU 68 N 0.03 0.66 0.00 0.86 5.08 -1.96 -2.64 114.58 116.62 1xfj h GLU 68 Ca 0.33 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 1xfj h GLU 68 Cb 1.27 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.44 1xfj h GLU 68 CO -0.01 0.71 0.00 -0.25 -1.00 0.00 0.00 179.01 178.46 1xfj n ASP 69 N -4.22 0.00 -4.66 1.42 8.00 -0.19 -4.11 116.55 112.78 1xfj n ASP 69 Ca 0.02 0.03 -0.39 0.00 0.71 0.00 0.00 54.79 55.16 1xfj n ASP 69 Cb 0.30 -0.28 -0.07 0.00 -0.02 0.00 0.00 41.12 41.04 1xfj n ASP 69 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1xfj s LEU 70 N -2.57 4.14 -0.28 0.64 2.96 -1.00 -0.36 118.68 122.22 1xfj s LEU 70 Ca 0.17 0.56 0.02 0.00 -0.22 0.00 0.00 54.13 54.66 1xfj s LEU 70 Cb 0.12 -2.59 0.06 0.00 0.50 0.00 0.00 46.19 44.28 1xfj s LEU 70 CO 0.27 -0.13 -0.05 0.20 -1.32 0.00 0.00 176.35 175.32 1xfj s ASN 71 N 1.13 4.62 -0.02 3.68 0.01 -0.35 -4.67 114.94 119.34 1xfj s ASN 71 Ca 0.21 -1.48 0.02 0.00 -0.71 0.00 0.00 52.86 50.90 1xfj s ASN 71 Cb -0.15 -1.61 0.00 0.00 0.41 0.00 0.00 41.25 39.91 1xfj s ASN 71 CO 0.09 -0.24 -0.08 -0.69 -1.51 0.00 0.00 177.10 174.66 1xfj s VAL 72 N 1.11 0.72 0.78 1.60 1.01 -1.26 -1.62 120.40 122.73 1xfj s VAL 72 Ca -0.05 -0.33 -0.09 0.00 0.00 0.00 0.00 61.98 61.51 1xfj s VAL 72 Cb -0.20 -0.64 0.09 0.00 0.00 0.00 0.00 36.38 35.63 1xfj s VAL 72 CO -0.04 0.23 1.11 0.00 0.00 0.00 0.00 175.10 176.39 1xfj s TYR 74 N -3.44 3.05 0.09 0.00 5.04 -0.14 -4.90 117.35 117.06 1xfj s TYR 74 Ca 0.63 -1.13 -0.31 0.00 -2.44 0.00 0.00 57.07 53.83 1xfj s TYR 74 Cb -0.09 -4.13 -0.07 0.00 0.35 0.00 0.00 41.96 38.02 1xfj s TYR 74 CO 0.47 -1.39 1.25 -0.65 -1.34 0.00 0.00 175.55 173.89 1xfj s GLN 75 N 2.69 4.41 -0.08 4.97 -0.21 -1.23 -2.29 119.66 127.90 1xfj s GLN 75 Ca 0.21 1.87 0.12 0.00 0.02 0.00 0.00 55.36 57.58 1xfj s GLN 75 Cb -0.15 -3.30 0.21 0.00 1.00 0.00 0.00 33.01 30.76 1xfj s GLN 75 CO 0.00 -0.28 1.11 0.44 -2.12 0.00 0.00 175.29 174.44 1xfj n ILE 76 N 3.73 1.16 -3.01 1.08 -5.35 -1.25 -4.96 119.36 110.76 1xfj n ILE 76 Ca 0.09 -1.50 -0.22 0.00 -0.27 0.00 0.00 62.75 60.84 1xfj n ILE 76 Cb 0.45 0.08 0.03 0.00 -1.74 0.00 0.00 39.64 38.46 1xfj n ILE 76 CO 0.00 0.00 0.00 1.41 -1.76 0.00 0.00 176.55 176.20 1xfj n HIS 77 N -0.81 -1.91 -2.57 4.28 8.25 -1.26 -5.00 115.22 116.20 1xfj n HIS 77 Ca 0.10 0.49 0.00 0.00 -0.26 0.00 0.00 57.72 58.05 1xfj n HIS 77 Cb 0.69 -4.38 0.00 0.00 1.12 0.00 0.00 29.99 27.42 1xfj n HIS 77 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1xfj n SER 78 N -2.48 0.00 -0.28 0.41 3.41 -1.26 -3.72 113.62 109.69 1xfj n SER 78 Ca -0.12 -0.87 0.07 0.00 -0.26 0.00 0.00 58.87 57.70 1xfj n SER 78 Cb 0.62 0.00 0.13 0.00 -0.26 0.00 0.00 64.21 64.70 1xfj n SER 78 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1xfj n THR 79 N -0.99 1.68 -2.46 6.66 -2.24 -1.26 -4.61 114.28 111.06 1xfj n THR 79 Ca 0.00 -1.77 -0.43 0.00 -2.27 0.00 0.00 64.05 59.58 1xfj n THR 79 Cb 0.00 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.21 1xfj n THR 79 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1xfj s ILE 80 N -2.25 4.32 -0.24 2.28 1.01 -1.26 -4.74 121.20 120.32 1xfj s ILE 80 Ca 0.26 1.61 -0.05 0.00 0.00 0.00 0.00 60.65 62.47 1xfj s ILE 80 Cb 0.21 -4.04 -0.00 0.00 0.01 0.00 0.00 42.46 38.64 1xfj s ILE 80 CO 0.05 -0.12 -0.00 0.00 0.00 0.00 0.00 174.94 174.86 1xfj s ALA 81 N 3.26 2.90 -0.09 9.38 0.00 -1.26 -1.00 121.76 134.95 1xfj s ALA 81 Ca 0.54 -1.27 -0.05 0.00 0.00 0.00 0.00 51.96 51.18 1xfj s ALA 81 Cb -0.21 -1.85 -0.04 0.00 0.00 0.00 0.00 23.12 21.02 1xfj s ALA 81 CO 0.15 -0.60 0.12 0.42 0.00 0.00 0.00 175.76 175.85 1xfj s ILE 82 N 1.48 5.27 -0.09 0.00 -1.09 -0.13 -4.95 121.20 121.68 1xfj s ILE 82 Ca 0.04 0.04 -0.15 0.00 -2.23 0.00 0.00 60.65 58.35 1xfj s ILE 82 Cb -0.15 -3.32 -0.05 0.00 -1.58 0.00 0.00 42.46 37.36 1xfj s ILE 82 CO -0.01 0.55 0.39 -0.69 -1.23 0.00 0.00 174.94 173.95 1xfj s VAL 83 N -1.07 5.17 -0.24 2.92 1.01 -1.26 -0.32 120.40 126.62 1xfj s VAL 83 Ca 0.17 0.78 0.02 0.00 0.00 0.00 0.00 61.98 62.95 1xfj s VAL 83 Cb -0.12 -3.72 0.05 0.00 0.00 0.00 0.00 36.38 32.59 1xfj s VAL 83 CO 0.07 0.44 -0.13 0.00 0.00 0.00 0.00 175.10 175.48 1xfj s ALA 84 N -0.07 2.51 -0.77 5.51 0.00 0.11 -4.90 121.76 124.16 1xfj s ALA 84 Ca 0.22 -1.60 0.11 0.00 0.00 0.00 0.00 51.96 50.69 1xfj s ALA 84 Cb -0.15 -1.48 0.31 0.00 0.00 0.00 0.00 23.12 21.80 1xfj s ALA 84 CO 0.09 -0.94 1.26 -0.40 0.00 0.00 0.00 175.76 175.77 1xfj n ASP 85 N 4.50 2.97 -3.76 0.00 5.68 -1.26 -4.44 116.55 120.23 1xfj n ASP 85 Ca -0.16 -2.13 0.02 0.00 -0.50 0.00 0.00 54.79 52.02 1xfj n ASP 85 Cb 0.45 -0.25 0.01 0.00 -1.14 0.00 0.00 41.12 40.18 1xfj n ASP 85 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 1xfj s GLY 86 N -1.12 -0.11 0.45 6.12 0.00 -1.26 -4.93 107.32 106.47 1xfj s GLY 86 Ca 0.24 0.01 -0.23 0.00 0.00 0.00 0.00 44.72 44.74 1xfj s GLY 86 CO 0.14 5.07 1.15 -1.35 0.00 0.00 0.00 173.10 178.10 1xfj s SER 87 N -3.73 6.25 0.00 1.64 1.04 -1.26 -4.94 113.70 112.70 1xfj s SER 87 Ca 0.28 2.26 0.16 0.00 0.48 0.00 0.00 55.95 59.13 1xfj s SER 87 Cb -0.01 -2.60 0.21 0.00 0.10 0.00 0.00 66.02 63.72 1xfj s SER 87 CO -0.00 -0.86 1.11 0.79 0.98 0.00 0.00 173.24 175.26 1xfj n TRP 88 N -0.45 0.16 0.00 5.02 8.01 -1.26 -5.06 117.44 123.87 1xfj n TRP 88 Ca 0.07 -0.12 0.00 0.00 -1.31 0.00 0.00 57.50 56.14 1xfj n TRP 88 Cb 0.48 -0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.78 1xfj n TRP 88 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1xfj n GLY 89 N 0.95 3.40 0.96 6.99 0.00 -1.26 -1.43 105.19 114.79 1xfj n GLY 89 Ca 0.11 -0.12 0.08 0.00 0.00 0.00 0.00 46.02 46.09 1xfj n GLY 89 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1xfj n ASP 90 N 8.73 3.62 -4.76 1.61 5.75 -1.26 -4.84 116.55 125.39 1xfj n ASP 90 Ca 0.00 -2.32 -0.39 0.00 -0.01 0.00 0.00 54.79 52.07 1xfj n ASP 90 Cb 0.00 -0.40 -0.05 0.00 -1.03 0.00 0.00 41.12 39.64 1xfj n ASP 90 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1xfj s ALA 91 N -1.59 3.30 -0.59 2.12 0.00 -0.51 -5.02 121.76 119.47 1xfj s ALA 91 Ca 0.36 0.67 0.04 0.00 0.00 0.00 0.00 51.96 53.03 1xfj s ALA 91 Cb 0.23 -3.24 0.16 0.00 0.00 0.00 0.00 23.12 20.26 1xfj s ALA 91 CO 0.18 0.07 0.39 1.03 0.00 0.00 0.00 175.76 177.42 1xfj s ARG 92 N -1.59 1.96 0.50 0.00 0.52 -1.26 -4.84 118.95 114.24 1xfj s ARG 92 Ca 0.46 -2.83 -0.22 0.00 -0.52 0.00 0.00 55.73 52.62 1xfj s ARG 92 Cb -0.25 -2.94 -0.06 0.00 0.52 0.00 0.00 34.95 32.22 1xfj s ARG 92 CO 0.32 -1.25 1.28 -1.25 0.02 0.00 0.00 175.30 174.42 1xfj s PRO 93 N -0.74 3.42 0.24 3.54 0.04 -1.26 -3.90 135.00 136.33 1xfj s PRO 93 Ca 0.23 2.06 -0.30 0.00 0.04 0.00 0.00 61.00 63.03 1xfj s PRO 93 Cb -0.10 -2.34 -0.10 0.00 0.04 0.00 0.00 34.50 32.00 1xfj s PRO 93 CO -0.11 -0.91 1.38 -1.21 0.04 0.00 0.00 177.00 176.19 1xfj s GLU 94 N -2.79 4.32 0.00 4.56 8.01 -1.26 -0.96 118.70 130.58 1xfj s GLU 94 Ca 0.68 2.20 0.00 0.00 0.01 0.00 0.00 54.97 57.86 1xfj s GLU 94 Cb -0.36 -3.14 0.00 0.00 -4.31 0.00 0.00 34.13 26.32 1xfj s GLU 94 CO 0.43 -0.34 0.00 0.41 0.01 0.00 0.00 175.26 175.77 1xfj n GLY 95 N 2.15 1.04 0.56 -1.39 0.00 -0.97 -4.85 105.19 101.73 1xfj n GLY 95 Ca 0.06 -1.14 0.03 0.00 0.00 0.00 0.00 46.02 44.96 1xfj n GLY 95 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1xfj n ASP 96 N 0.00 0.61 -3.63 1.61 8.00 -0.17 -3.56 116.55 119.42 1xfj n ASP 96 Ca 0.00 -2.26 -0.12 0.00 0.71 0.00 0.00 54.79 53.11 1xfj n ASP 96 Cb 0.00 -0.27 -0.07 0.00 -0.02 0.00 0.00 41.12 40.76 1xfj n ASP 96 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xfj s ALA 97 N -0.63 -1.83 -0.16 2.24 0.00 -1.10 -0.08 121.76 120.21 1xfj s ALA 97 Ca 0.12 2.06 0.01 0.00 0.00 0.00 0.00 51.96 54.15 1xfj s ALA 97 Cb 0.12 -1.25 0.02 0.00 0.00 0.00 0.00 23.12 22.00 1xfj s ALA 97 CO -0.02 -0.33 -0.19 0.08 0.00 0.00 0.00 175.76 175.30 1xfj s VAL 98 N 0.53 1.92 0.03 0.00 1.01 0.41 -0.95 120.40 123.34 1xfj s VAL 98 Ca -0.01 -0.86 0.08 0.00 0.00 0.00 0.00 61.98 61.19 1xfj s VAL 98 Cb -0.05 -1.74 -0.03 0.00 0.00 0.00 0.00 36.38 34.56 1xfj s VAL 98 CO -0.03 0.52 -0.21 -0.69 0.00 0.00 0.00 175.10 174.69 1xfj s VAL 99 N 1.24 2.53 -0.01 2.92 1.01 0.57 -1.10 120.40 127.56 1xfj s VAL 99 Ca 0.02 -1.21 -0.26 0.00 0.00 0.00 0.00 61.98 60.54 1xfj s VAL 99 Cb -0.13 -2.02 0.06 0.00 0.00 0.00 0.00 36.38 34.28 1xfj s VAL 99 CO -0.10 0.39 0.57 -0.55 0.00 0.00 0.00 175.10 175.42 1xfj s SER 100 N -1.23 -0.52 -0.02 3.32 0.15 -0.43 0.08 113.70 115.05 1xfj s SER 100 Ca 0.13 0.44 0.03 0.00 0.70 0.00 0.00 55.95 57.25 1xfj s SER 100 Cb -0.10 0.49 0.04 0.00 -1.71 0.00 0.00 66.02 64.74 1xfj s SER 100 CO 0.03 -0.63 0.90 2.29 1.20 0.00 0.00 173.24 177.03 1xfj n LYS 101 N 0.78 1.84 -3.64 5.44 2.85 -1.26 -1.20 118.16 122.96 1xfj n LYS 101 Ca -0.19 -1.38 -0.37 0.00 -1.05 0.00 0.00 58.31 55.31 1xfj n LYS 101 Cb 0.58 -0.92 -0.11 0.00 -0.65 0.00 0.00 35.03 33.93 1xfj n LYS 101 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1xfj s THR 102 N -0.96 5.16 0.39 0.58 2.01 -1.26 -4.95 115.64 116.59 1xfj s THR 102 Ca 0.05 0.12 -0.28 0.00 0.31 0.00 0.00 61.69 61.88 1xfj s THR 102 Cb 0.04 -3.44 -0.11 0.00 0.01 0.00 0.00 72.50 69.01 1xfj s THR 102 CO 0.00 0.29 1.48 -2.84 -0.69 0.00 0.00 174.62 172.86 1xfj s PRO 103 N 1.57 4.05 0.00 4.92 0.02 -1.26 -2.40 135.00 141.90 1xfj s PRO 103 Ca 0.07 2.55 0.00 0.00 0.02 0.00 0.00 61.00 63.63 1xfj s PRO 103 Cb -0.15 -2.93 0.00 0.00 0.02 0.00 0.00 34.50 31.44 1xfj s PRO 103 CO 0.08 -0.57 0.00 0.41 -0.33 0.00 0.00 177.00 176.60 1xfj n GLY 104 N 0.48 3.05 3.71 0.52 0.00 0.34 -5.00 105.19 108.28 1xfj n GLY 104 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 1xfj n GLY 104 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xfj s VAL 105 N -2.63 4.19 -0.38 1.61 1.01 -1.01 -4.81 120.40 118.39 1xfj s VAL 105 Ca 0.00 1.57 -0.11 0.00 0.00 0.00 0.00 61.98 63.43 1xfj s VAL 105 Cb 0.00 -4.00 0.03 0.00 0.00 0.00 0.00 36.38 32.40 1xfj s VAL 105 CO 0.00 0.10 0.21 -0.63 0.00 0.00 0.00 175.10 174.78 1xfj s ILE 106 N 1.30 4.62 -0.19 2.22 1.01 0.51 -4.00 121.20 126.67 1xfj s ILE 106 Ca 0.57 -0.86 -0.25 0.00 0.00 0.00 0.00 60.65 60.11 1xfj s ILE 106 Cb -0.27 -3.59 -0.01 0.00 0.01 0.00 0.00 42.46 38.60 1xfj s ILE 106 CO 0.28 -0.25 0.81 0.00 0.00 0.00 0.00 174.94 175.78 1xfj s GLY 108 N 1.21 1.06 0.00 0.00 0.00 -0.64 -1.34 107.32 107.61 1xfj s GLY 108 Ca 0.36 -1.30 0.00 0.00 0.00 0.00 0.00 44.72 43.78 1xfj s GLY 108 CO 0.11 -1.36 0.00 0.00 0.00 0.00 0.00 173.10 171.84 1xfj n ALA 109 N 0.48 0.00 0.00 3.20 0.00 -0.17 -4.48 120.51 119.54 1xfj n ALA 109 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1xfj n ALA 109 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.02 1xfj n ALA 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xfj n ALA 111 N -3.00 0.00 -2.76 0.00 0.00 -0.11 -1.19 120.51 113.46 1xfj n ALA 111 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 1xfj n ALA 111 Cb 0.00 0.00 0.09 0.00 0.00 0.00 0.00 19.45 19.54 1xfj n ALA 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xfj n ALA 112 N -1.50 0.06 0.00 0.00 0.00 -1.26 0.08 120.51 117.88 1xfj n ALA 112 Ca 0.00 -1.64 0.00 0.00 0.00 0.00 0.00 53.44 51.80 1xfj n ALA 112 Cb 0.00 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.35 1xfj n ALA 112 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1xfj n ASP 113 N 0.11 0.00 -4.73 0.00 8.00 -1.26 -0.29 116.55 118.38 1xfj n ASP 113 Ca 0.06 0.00 -0.31 0.00 0.71 0.00 0.00 54.79 55.25 1xfj n ASP 113 Cb 0.74 0.00 0.12 0.00 -0.02 0.00 0.00 41.12 41.96 1xfj n ASP 113 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xfj s ALA 115 N -2.80 3.53 0.21 0.00 0.00 -0.59 -4.60 121.76 117.52 1xfj s ALA 115 Ca 0.63 -0.64 -0.20 0.00 0.00 0.00 0.00 51.96 51.75 1xfj s ALA 115 Cb -0.19 -3.09 -0.08 0.00 0.00 0.00 0.00 23.12 19.75 1xfj s ALA 115 CO 0.57 -1.06 0.72 -1.25 0.00 0.00 0.00 175.76 174.73 1xfj s PRO 116 N 2.60 4.26 -0.07 0.00 0.04 -1.26 -0.28 135.00 140.29 1xfj s PRO 116 Ca 0.25 0.87 0.01 0.00 0.04 0.00 0.00 61.00 62.17 1xfj s PRO 116 Cb -0.15 -2.91 0.02 0.00 0.04 0.00 0.00 34.50 31.50 1xfj s PRO 116 CO 0.12 0.41 -0.09 0.08 0.04 0.00 0.00 177.00 177.56 1xfj s VAL 117 N -1.49 0.96 -0.16 -0.36 1.01 0.20 -0.90 120.40 119.66 1xfj s VAL 117 Ca 0.42 -0.35 -0.03 0.00 0.00 0.00 0.00 61.98 62.02 1xfj s VAL 117 Cb -0.17 -0.92 -0.02 0.00 0.00 0.00 0.00 36.38 35.27 1xfj s VAL 117 CO 0.21 0.33 -0.06 -0.76 0.00 0.00 0.00 175.10 174.82 1xfj s LEU 118 N 0.96 3.08 0.16 3.92 1.43 -0.52 0.00 118.68 127.71 1xfj s LEU 118 Ca -0.09 -0.22 0.07 0.00 -1.03 0.00 0.00 54.13 52.86 1xfj s LEU 118 Cb -0.15 -1.74 -0.04 0.00 0.03 0.00 0.00 46.19 44.29 1xfj s LEU 118 CO 0.00 0.13 -0.15 -0.76 0.23 0.00 0.00 176.35 175.81 1xfj s LEU 119 N 0.57 2.46 -0.21 1.79 1.02 -0.09 -0.88 118.68 123.35 1xfj s LEU 119 Ca -0.04 -0.90 -0.27 0.00 0.02 0.00 0.00 54.13 52.95 1xfj s LEU 119 Cb -0.15 -0.63 0.08 0.00 0.02 0.00 0.00 46.19 45.51 1xfj s LEU 119 CO 0.03 -0.14 0.77 0.54 0.02 0.00 0.00 176.35 177.56 1xfj s VAL 120 N -2.44 0.00 -0.37 -1.59 0.11 -0.41 -1.51 120.40 114.19 1xfj s VAL 120 Ca 0.15 0.00 -0.02 0.00 -2.93 0.00 0.00 61.98 59.18 1xfj s VAL 120 Cb -0.03 -1.00 0.09 0.00 -1.53 0.00 0.00 36.38 33.91 1xfj s VAL 120 CO 0.05 0.00 0.13 -0.62 -3.33 0.00 0.00 175.10 171.33 1xfj s ASP 121 N -0.12 5.10 0.21 3.54 -1.08 -0.08 -0.89 116.67 123.35 1xfj s ASP 121 Ca -0.02 -1.84 0.18 0.00 -0.52 0.00 0.00 52.55 50.34 1xfj s ASP 121 Cb -0.03 -1.77 0.87 0.00 -1.46 0.00 0.00 42.92 40.52 1xfj s ASP 121 CO 0.02 -0.45 1.55 -0.81 0.52 0.00 0.00 175.17 176.01 1xfj n PRO 122 N 4.56 0.12 -0.10 4.34 -0.04 -1.26 -0.81 135.00 141.81 1xfj n PRO 122 Ca -0.04 0.50 -0.24 0.00 -0.04 0.00 0.00 63.50 63.68 1xfj n PRO 122 Cb 0.42 -1.81 -0.11 0.00 -0.04 0.00 0.00 33.50 31.96 1xfj n PRO 122 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1xfj n GLU 123 N -2.05 0.61 0.09 0.54 4.07 -1.26 -4.20 120.64 118.43 1xfj n GLU 123 Ca 0.01 0.41 0.13 0.00 -0.06 0.00 0.00 57.16 57.64 1xfj n GLU 123 Cb 0.11 -1.65 0.45 0.00 -0.06 0.00 0.00 31.44 30.30 1xfj n GLU 123 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1xfj n ALA 124 N -3.60 2.12 -3.08 4.31 0.00 -1.20 -4.94 120.51 114.13 1xfj n ALA 124 Ca -0.40 -0.01 -0.11 0.00 0.00 0.00 0.00 53.44 52.91 1xfj n ALA 124 Cb 0.82 -1.44 0.05 0.00 0.00 0.00 0.00 19.45 18.88 1xfj n ALA 124 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1xfj n ARG 125 N -2.09 -1.90 -4.30 0.00 5.12 0.01 -4.95 116.66 108.53 1xfj n ARG 125 Ca 0.05 0.93 -0.19 0.00 -1.93 0.00 0.00 57.85 56.71 1xfj n ARG 125 Cb 0.36 -5.50 -0.15 0.00 -1.16 0.00 0.00 32.46 26.01 1xfj n ARG 125 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1xfj s ILE 126 N -3.29 0.66 0.29 0.55 1.01 -0.99 -4.61 121.20 114.82 1xfj s ILE 126 Ca 0.34 -0.29 0.05 0.00 0.00 0.00 0.00 60.65 60.75 1xfj s ILE 126 Cb -0.04 -0.60 -0.06 0.00 0.01 0.00 0.00 42.46 41.77 1xfj s ILE 126 CO 0.69 0.22 -0.01 0.68 0.00 0.00 0.00 174.94 176.51 1xfj s VAL 127 N 0.26 1.41 -0.11 2.92 -7.23 -0.34 -0.90 120.40 116.40 1xfj s VAL 127 Ca -0.04 -2.07 -0.31 0.00 -1.81 0.00 0.00 61.98 57.76 1xfj s VAL 127 Cb -0.08 -2.54 0.10 0.00 0.56 0.00 0.00 36.38 34.42 1xfj s VAL 127 CO 0.00 -0.22 0.85 0.00 -0.31 0.00 0.00 175.10 175.42 1xfj s ALA 128 N -3.16 -1.86 -0.08 1.32 0.00 -0.57 -1.32 121.76 116.09 1xfj s ALA 128 Ca 0.31 1.46 0.03 0.00 0.00 0.00 0.00 51.96 53.76 1xfj s ALA 128 Cb 0.06 -0.38 0.01 0.00 0.00 0.00 0.00 23.12 22.81 1xfj s ALA 128 CO 0.12 -0.34 -0.16 0.00 0.00 0.00 0.00 175.76 175.39 1xfj s ALA 129 N -1.14 1.59 0.08 0.00 0.00 -0.26 -0.91 121.76 121.12 1xfj s ALA 129 Ca -0.06 -0.63 0.08 0.00 0.00 0.00 0.00 51.96 51.35 1xfj s ALA 129 Cb -0.00 -0.69 -0.03 0.00 0.00 0.00 0.00 23.12 22.40 1xfj s ALA 129 CO 0.06 0.11 -0.22 0.00 0.00 0.00 0.00 175.76 175.71 1xfj s ALA 130 N 0.66 1.89 -0.41 0.00 0.00 0.10 -0.44 121.76 123.55 1xfj s ALA 130 Ca -0.14 -1.21 -0.10 0.00 0.00 0.00 0.00 51.96 50.51 1xfj s ALA 130 Cb -0.16 -0.31 0.06 0.00 0.00 0.00 0.00 23.12 22.71 1xfj s ALA 130 CO 0.04 0.41 0.26 -1.58 0.00 0.00 0.00 175.76 174.88 1xfj s HIS 131 N -1.00 3.30 -0.72 0.00 5.65 0.89 -0.63 115.29 122.79 1xfj s HIS 131 Ca 0.08 -1.32 -0.01 0.00 0.25 0.00 0.00 55.06 54.06 1xfj s HIS 131 Cb -0.10 -2.84 0.18 0.00 -1.18 0.00 0.00 32.58 28.64 1xfj s HIS 131 CO 0.03 -0.79 0.54 0.00 -0.65 0.00 0.00 174.74 173.88 1xfj s ALA 132 N 1.48 3.81 0.96 1.58 0.00 0.61 -4.83 121.76 125.37 1xfj s ALA 132 Ca 0.03 -3.54 -0.06 0.00 0.00 0.00 0.00 51.96 48.39 1xfj s ALA 132 Cb -0.22 -2.61 0.09 0.00 0.00 0.00 0.00 23.12 20.37 1xfj s ALA 132 CO 0.04 -2.12 0.51 0.41 0.00 0.00 0.00 175.76 174.60 1xfj n GLY 133 N 2.87 -1.11 0.33 0.00 0.00 -1.26 -1.54 105.19 104.47 1xfj n GLY 133 Ca 0.14 -1.71 -0.04 0.00 0.00 0.00 0.00 46.02 44.41 1xfj n GLY 133 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 173.32 173.43 1xfj h TRP 134 N -1.23 1.03 0.11 1.61 5.08 -1.97 -1.22 115.95 119.35 1xfj h TRP 134 Ca -0.17 -0.07 -0.01 0.00 1.08 0.00 0.00 58.89 59.73 1xfj h TRP 134 Cb 0.47 -0.31 0.00 0.00 -3.00 0.00 0.00 29.16 26.31 1xfj h TRP 134 CO 0.00 0.79 -0.05 -0.09 -1.28 0.00 0.00 178.44 177.81 1xfj h ARG 135 N 1.00 -0.14 -0.59 0.12 2.43 -1.92 -1.01 114.38 114.26 1xfj h ARG 135 Ca 0.23 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.41 1xfj h ARG 135 Cb 0.20 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.75 1xfj h ARG 135 CO -0.02 0.19 0.38 0.78 -1.51 0.00 0.00 179.97 179.79 1xfj h GLY 136 N -0.47 0.84 1.00 2.80 0.00 -1.63 -0.15 103.07 105.46 1xfj h GLY 136 Ca -0.01 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 46.99 1xfj h GLY 136 CO 0.02 0.32 0.27 0.00 0.00 0.00 0.00 176.54 177.16 1xfj h ALA 137 N 1.20 0.52 -0.54 3.60 0.00 -1.20 0.45 119.26 123.29 1xfj h ALA 137 Ca 0.22 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 1xfj h ALA 137 Cb -0.06 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1xfj h ALA 137 CO -0.04 -0.02 0.13 1.25 0.00 0.00 0.00 179.25 180.57 1xfj h LEU 138 N 0.56 0.83 -0.37 0.00 5.85 -0.83 -3.05 115.31 118.29 1xfj h LEU 138 Ca 0.15 -0.23 0.00 0.00 0.84 0.00 0.00 57.88 58.64 1xfj h LEU 138 Cb -0.06 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 40.76 1xfj h LEU 138 CO -0.03 0.84 0.00 0.44 -0.34 0.00 0.00 178.44 179.35 1xfj h ASP 139 N 0.77 0.00 0.00 1.25 3.32 -0.80 -3.48 116.42 117.48 1xfj h ASP 139 Ca 0.17 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.22 1xfj h ASP 139 Cb 0.34 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.89 1xfj h ASP 139 CO 0.00 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.13 1xfj n GLY 140 N 0.76 1.88 0.26 2.75 0.00 -0.37 -4.98 105.19 105.50 1xfj n GLY 140 Ca 0.04 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.09 1xfj n GLY 140 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1xfj h VAL 141 N 0.00 1.13 0.04 1.61 3.04 -1.20 -0.66 116.25 120.21 1xfj h VAL 141 Ca 0.00 -0.51 -0.00 0.00 -1.01 0.00 0.00 66.70 65.18 1xfj h VAL 141 Cb 0.00 1.00 0.00 0.00 -2.01 0.00 0.00 31.29 30.28 1xfj h VAL 141 CO 0.00 0.17 -0.02 0.58 -1.01 0.00 0.00 177.57 177.29 1xfj h VAL 142 N 0.27 1.18 -0.54 1.51 2.07 -1.87 -1.08 116.25 117.79 1xfj h VAL 142 Ca 0.06 -0.73 -0.02 0.00 0.82 0.00 0.00 66.70 66.84 1xfj h VAL 142 Cb 0.21 1.67 -0.03 0.00 -1.52 0.00 0.00 31.29 31.62 1xfj h VAL 142 CO 0.01 0.18 0.27 -0.61 0.02 0.00 0.00 177.57 177.44 1xfj h GLN 143 N -0.38 0.75 -0.42 1.57 5.75 -1.79 -1.64 115.11 118.95 1xfj h GLN 143 Ca -0.01 -0.08 -0.03 0.00 -0.15 0.00 0.00 58.65 58.38 1xfj h GLN 143 Cb 0.34 -0.15 -0.02 0.00 1.07 0.00 0.00 27.48 28.73 1xfj h GLN 143 CO 0.01 0.57 0.15 1.03 -2.65 0.00 0.00 178.83 177.94 1xfj h SER 144 N 0.75 0.60 -0.67 -0.69 0.87 -0.94 0.13 113.55 113.60 1xfj h SER 144 Ca 0.19 -0.19 -0.04 0.00 -1.23 0.00 0.00 61.79 60.52 1xfj h SER 144 Cb 0.06 -0.16 -0.03 0.00 -0.44 0.00 0.00 62.40 61.83 1xfj h SER 144 CO -0.03 0.63 0.26 0.00 -0.53 0.00 0.00 176.83 177.16 1xfj h ALA 145 N 1.00 0.88 -0.34 6.23 0.00 -0.76 -0.09 119.26 126.16 1xfj h ALA 145 Ca 0.14 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1xfj h ALA 145 Cb 0.23 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1xfj h ALA 145 CO -0.01 0.51 0.09 0.28 0.00 0.00 0.00 179.25 180.12 1xfj h VAL 146 N 0.96 1.22 -0.95 0.00 2.07 -1.05 -2.87 116.25 115.63 1xfj h VAL 146 Ca 0.22 -0.74 0.00 0.00 0.82 0.00 0.00 66.70 67.00 1xfj h VAL 146 Cb 0.23 1.06 -0.05 0.00 -1.52 0.00 0.00 31.29 31.01 1xfj h VAL 146 CO -0.02 0.25 0.59 0.44 0.02 0.00 0.00 177.57 178.86 1xfj h ASP 147 N 0.40 1.12 0.00 0.57 3.32 -0.40 -0.63 116.42 120.80 1xfj h ASP 147 Ca 0.11 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.11 1xfj h ASP 147 Cb 0.29 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.56 1xfj h ASP 147 CO 0.00 0.84 0.00 -1.14 -1.72 0.00 0.00 179.24 177.22 1xfj n ARG 148 N -4.37 0.32 0.00 3.56 3.00 -0.08 -1.59 116.66 117.50 1xfj n ARG 148 Ca 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.96 1xfj n ARG 148 Cb 0.04 -1.33 0.00 0.00 0.00 0.00 0.00 32.46 31.17 1xfj n ARG 148 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 1xfj n VAL 150 N 0.80 0.00 0.21 5.15 0.31 -0.24 -2.80 118.33 121.75 1xfj n VAL 150 Ca 0.00 0.00 0.08 0.00 -0.01 0.00 0.00 64.34 64.41 1xfj n VAL 150 Cb 0.15 0.00 0.60 0.00 -0.91 0.00 0.00 33.84 33.69 1xfj n VAL 150 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1xfj h GLU 151 N 0.00 0.09 -0.00 5.55 5.08 -1.57 0.43 114.58 124.16 1xfj h GLU 151 Ca 0.00 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1xfj h GLU 151 Cb 0.00 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.23 1xfj h GLU 151 CO 0.00 0.06 -0.15 1.28 -1.00 0.00 0.00 179.01 179.20 1xfj n LEU 152 N -4.52 0.40 0.00 1.33 4.77 -1.12 -4.90 117.00 112.95 1xfj n LEU 152 Ca -0.02 0.09 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 1xfj n LEU 152 Cb 0.10 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 40.95 1xfj n LEU 152 CO 0.34 0.08 0.00 0.61 -1.33 0.00 0.00 177.39 177.09 1xfj n GLY 153 N 1.35 0.93 3.72 -0.72 0.00 0.14 -5.07 105.19 105.54 1xfj n GLY 153 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 1xfj n GLY 153 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xfj s ALA 154 N -1.79 1.49 -0.12 4.61 0.00 -1.23 -4.85 121.76 119.87 1xfj s ALA 154 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 51.96 51.78 1xfj s ALA 154 Cb 0.00 -3.15 0.02 0.00 0.00 0.00 0.00 23.12 19.99 1xfj s ALA 154 CO 0.00 -2.40 -0.11 0.45 0.00 0.00 0.00 175.76 173.71 1xfj s SER 155 N -3.52 2.32 0.21 0.00 0.15 -1.26 -4.43 113.70 107.17 1xfj s SER 155 Ca 0.64 -0.37 -0.17 0.00 0.70 0.00 0.00 55.95 56.74 1xfj s SER 155 Cb -0.17 -0.96 0.20 0.00 -1.71 0.00 0.00 66.02 63.37 1xfj s SER 155 CO 0.57 -0.08 1.59 -0.65 1.20 0.00 0.00 173.24 175.86 1xfj h PRO 156 N 8.00 -0.09 0.00 5.44 0.11 -1.90 0.11 132.00 143.68 1xfj h PRO 156 Ca -0.33 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.79 1xfj h PRO 156 Cb 1.14 0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1xfj h PRO 156 CO 0.46 -0.06 0.00 0.00 -0.21 0.00 0.00 178.00 178.19 1xfj n ALA 157 N -3.22 1.37 -0.01 -0.75 0.00 -1.25 -1.37 120.51 115.27 1xfj n ALA 157 Ca 0.07 -0.01 0.01 0.00 0.00 0.00 0.00 53.44 53.51 1xfj n ALA 157 Cb 0.37 -1.03 0.02 0.00 0.00 0.00 0.00 19.45 18.81 1xfj n ALA 157 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1xfj n ASN 158 N -1.21 1.95 -4.83 0.00 5.15 0.38 -4.84 115.26 111.86 1xfj n ASN 158 Ca 0.01 -1.85 -0.38 0.00 -0.60 0.00 0.00 54.58 51.76 1xfj n ASN 158 Cb 0.01 -0.02 -0.06 0.00 -0.53 0.00 0.00 39.78 39.18 1xfj n ASN 158 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1xfj s ILE 159 N -0.86 4.90 -0.11 -1.44 1.01 -0.47 -4.27 121.20 119.94 1xfj s ILE 159 Ca 0.03 0.98 -0.01 0.00 0.00 0.00 0.00 60.65 61.65 1xfj s ILE 159 Cb 0.01 -3.79 -0.02 0.00 0.01 0.00 0.00 42.46 38.67 1xfj s ILE 159 CO 0.02 0.53 -0.08 -0.89 0.00 0.00 0.00 174.94 174.51 1xfj s THR 160 N -1.14 3.51 -0.05 2.92 2.01 -0.07 -3.97 115.64 118.86 1xfj s THR 160 Ca 0.27 -0.52 0.01 0.00 0.31 0.00 0.00 61.69 61.77 1xfj s THR 160 Cb -0.18 -2.48 0.02 0.00 0.01 0.00 0.00 72.50 69.87 1xfj s THR 160 CO 0.16 0.54 -0.07 -0.83 -0.69 0.00 0.00 174.62 173.74 1xfj s GLY 161 N -0.05 0.53 -0.06 4.40 0.00 -0.17 -1.28 107.32 110.69 1xfj s GLY 161 Ca -0.01 -0.16 0.04 0.00 0.00 0.00 0.00 44.72 44.60 1xfj s GLY 161 CO 0.03 0.30 -0.18 0.14 0.00 0.00 0.00 173.10 173.40 1xfj s VAL 162 N 0.76 1.50 -0.11 1.40 1.01 -0.06 -2.93 120.40 121.98 1xfj s VAL 162 Ca -0.12 -0.73 -0.17 0.00 0.00 0.00 0.00 61.98 60.96 1xfj s VAL 162 Cb -0.14 -1.31 -0.04 0.00 0.00 0.00 0.00 36.38 34.89 1xfj s VAL 162 CO 0.01 0.43 0.45 -0.69 0.00 0.00 0.00 175.10 175.31 1xfj s VAL 163 N 0.22 5.18 0.00 2.92 1.01 0.28 -1.44 120.40 128.56 1xfj s VAL 163 Ca -0.09 0.90 0.00 0.00 0.00 0.00 0.00 61.98 62.80 1xfj s VAL 163 Cb -0.14 -3.79 0.00 0.00 0.00 0.00 0.00 36.38 32.46 1xfj s VAL 163 CO 0.04 0.36 0.00 0.61 0.00 0.00 0.00 175.10 176.11 1xfj n GLY 164 N 3.11 0.93 3.74 4.51 0.00 -0.08 -1.62 105.19 115.77 1xfj n GLY 164 Ca -0.08 -1.92 -0.42 0.00 0.00 0.00 0.00 46.02 43.60 1xfj n GLY 164 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1xfj n PRO 165 N -0.31 2.51 -3.83 1.61 -0.02 -1.26 -4.63 135.00 129.07 1xfj n PRO 165 Ca 0.00 0.89 -0.07 0.00 -2.02 0.00 0.00 63.50 62.30 1xfj n PRO 165 Cb 0.00 -2.59 0.02 0.00 -0.02 0.00 0.00 33.50 30.91 1xfj n PRO 165 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1xfj s ILE 167 N -2.21 3.75 0.70 0.00 2.07 0.39 -1.15 121.20 124.74 1xfj s ILE 167 Ca 0.18 1.15 -0.11 0.00 -1.41 0.00 0.00 60.65 60.46 1xfj s ILE 167 Cb -0.04 -3.74 0.02 0.00 0.13 0.00 0.00 42.46 38.83 1xfj s ILE 167 CO 0.09 0.01 1.08 -0.83 -1.91 0.00 0.00 174.94 173.38 1xfj s GLY 168 N 1.76 1.62 0.52 1.50 0.00 -1.26 -4.58 107.32 106.88 1xfj s GLY 168 Ca 0.63 -0.44 0.34 0.00 0.00 0.00 0.00 44.72 45.25 1xfj s GLY 168 CO 0.26 -0.07 2.05 -0.56 0.00 0.00 0.00 173.10 174.78 1xfj h PRO 169 N -0.63 0.00 -0.00 2.90 0.13 -1.95 0.22 132.00 132.67 1xfj h PRO 169 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1xfj h PRO 169 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1xfj h PRO 169 CO 0.64 0.00 -0.52 0.36 -0.23 0.00 0.00 178.00 178.25 1xfj n LYS 170 N -2.71 0.35 -0.01 0.86 2.85 -1.26 -4.36 118.16 113.88 1xfj n LYS 170 Ca -0.02 -0.24 0.01 0.00 -1.05 0.00 0.00 58.31 57.01 1xfj n LYS 170 Cb 0.07 -1.50 -0.04 0.00 -0.65 0.00 0.00 35.03 32.91 1xfj n LYS 170 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 1xfj n SER 171 N -1.12 3.86 -4.51 -5.58 7.64 0.56 -4.94 113.62 109.53 1xfj n SER 171 Ca 0.07 0.00 -0.43 0.00 1.01 0.00 0.00 58.87 59.53 1xfj n SER 171 Cb 0.35 1.01 -0.01 0.00 -1.01 0.00 0.00 64.21 64.54 1xfj n SER 171 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 1xfj s TYR 172 N -2.26 2.97 0.08 1.43 6.14 -0.05 -4.93 117.35 120.73 1xfj s TYR 172 Ca -0.02 -1.48 -0.26 0.00 0.64 0.00 0.00 57.07 55.96 1xfj s TYR 172 Cb 0.03 -4.51 -0.06 0.00 0.42 0.00 0.00 41.96 37.83 1xfj s TYR 172 CO 0.20 -1.66 0.80 -2.00 0.64 0.00 0.00 175.55 173.53 1xfj s GLU 173 N 3.39 4.55 0.15 4.97 2.12 -1.26 -0.76 118.70 131.86 1xfj s GLU 173 Ca 0.44 1.15 -0.00 0.00 0.36 0.00 0.00 54.97 56.91 1xfj s GLU 173 Cb -0.01 -3.34 -0.04 0.00 0.26 0.00 0.00 34.13 30.99 1xfj s GLU 173 CO -0.03 0.33 0.05 0.14 -0.54 0.00 0.00 175.26 175.21 1xfj s VAL 174 N -0.28 0.22 0.54 3.70 -7.23 0.22 -4.94 120.40 112.64 1xfj s VAL 174 Ca 0.39 -1.94 0.03 0.00 -1.81 0.00 0.00 61.98 58.66 1xfj s VAL 174 Cb -0.22 -2.12 0.10 0.00 0.56 0.00 0.00 36.38 34.70 1xfj s VAL 174 CO 0.25 -0.41 0.75 0.61 -0.31 0.00 0.00 175.10 175.99 1xfj n GLY 175 N -0.15 1.15 0.17 2.32 0.00 -1.26 -1.61 105.19 105.80 1xfj n GLY 175 Ca -0.05 -2.09 0.03 0.00 0.00 0.00 0.00 46.02 43.91 1xfj n GLY 175 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1xfj h LEU 176 N 0.00 0.00 -0.89 0.99 3.38 -1.94 -2.14 115.31 114.71 1xfj h LEU 176 Ca -0.25 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.61 1xfj h LEU 176 Cb 0.99 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.73 1xfj h LEU 176 CO 0.30 0.46 -0.38 1.05 0.09 0.00 0.00 178.44 179.96 1xfj h GLU 177 N 0.00 0.34 0.04 1.13 9.09 -1.95 0.19 114.58 123.41 1xfj h GLU 177 Ca -0.00 -0.16 -0.00 0.00 0.05 0.00 0.00 59.36 59.25 1xfj h GLU 177 Cb 0.93 -0.01 0.00 0.00 -1.65 0.00 0.00 28.75 28.02 1xfj h GLU 177 CO 0.06 0.68 -0.02 0.35 0.05 0.00 0.00 179.01 180.13 1xfj h PHE 178 N 0.29 -0.04 -0.06 2.06 3.57 -1.90 -1.30 116.94 119.56 1xfj h PHE 178 Ca 0.03 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.56 1xfj h PHE 178 Cb 0.80 0.01 -0.04 0.00 2.79 0.00 0.00 35.95 39.52 1xfj h PHE 178 CO 0.02 0.37 -0.17 1.25 -2.23 0.00 0.00 178.31 177.56 1xfj h LEU 179 N -0.47 -0.50 -1.27 0.59 5.85 -1.22 -2.39 115.31 115.90 1xfj h LEU 179 Ca -0.00 0.08 -0.04 0.00 0.84 0.00 0.00 57.88 58.76 1xfj h LEU 179 Cb 0.43 0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.67 1xfj h LEU 179 CO 0.01 -0.22 0.08 0.45 -0.34 0.00 0.00 178.44 178.41 1xfj h HIS 180 N -0.24 0.58 -0.28 1.25 3.86 -0.98 -0.91 115.15 118.43 1xfj h HIS 180 Ca 0.07 -0.04 -0.00 0.00 -1.16 0.00 0.00 60.37 59.24 1xfj h HIS 180 Cb 0.34 -0.17 -0.01 0.00 1.06 0.00 0.00 27.41 28.62 1xfj h HIS 180 CO -0.25 0.52 0.17 -0.09 0.86 0.00 0.00 177.93 179.14 1xfj h ARG 181 N 0.56 0.38 -0.33 2.45 2.43 -0.79 -0.37 114.38 118.71 1xfj h ARG 181 Ca 0.13 -0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 59.19 1xfj h ARG 181 Cb 0.24 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.70 1xfj h ARG 181 CO -0.00 0.31 -0.07 0.74 -1.51 0.00 0.00 179.97 179.44 1xfj h PHE 182 N 0.35 0.70 -0.51 2.20 -1.00 -1.08 0.42 116.94 118.03 1xfj h PHE 182 Ca 0.10 -0.15 -0.03 0.00 2.81 0.00 0.00 57.97 60.70 1xfj h PHE 182 Cb 0.03 -0.17 -0.02 0.00 3.61 0.00 0.00 35.95 39.39 1xfj h PHE 182 CO -0.04 0.80 0.19 0.93 -1.61 0.00 0.00 178.31 178.58 1xfj h GLU 183 N 0.41 0.74 0.09 1.51 5.08 -1.02 0.10 114.58 121.49 1xfj h GLU 183 Ca 0.08 -0.11 -0.13 0.00 -1.00 0.00 0.00 59.36 58.20 1xfj h GLU 183 Cb 0.56 -0.13 0.01 0.00 0.50 0.00 0.00 28.75 29.69 1xfj h GLU 183 CO 0.03 0.61 -0.59 0.00 -1.00 0.00 0.00 179.01 178.07 1xfj h ALA 184 N 1.49 -0.05 0.00 3.43 0.00 -0.99 -3.37 119.26 119.77 1xfj h ALA 184 Ca 0.17 -0.66 -0.17 0.00 0.00 0.00 0.00 54.91 54.26 1xfj h ALA 184 Cb 0.16 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1xfj h ALA 184 CO -0.02 0.28 -0.84 -0.44 0.00 0.00 0.00 179.25 178.24 1xfj h ASP 185 N -0.58 0.00 -3.22 0.00 3.32 -0.89 -3.40 116.42 111.65 1xfj h ASP 185 Ca -0.11 0.00 -0.61 0.00 0.02 0.00 0.00 57.03 56.33 1xfj h ASP 185 Cb 1.44 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 40.59 1xfj h ASP 185 CO 0.09 0.78 -0.74 0.00 -1.72 0.00 0.00 179.24 177.65 1xfj n PRO 187 N 3.05 0.53 -0.28 0.00 -0.02 -1.26 -1.49 135.00 135.54 1xfj n PRO 187 Ca 0.15 0.19 0.00 0.00 -2.02 0.00 0.00 63.50 61.82 1xfj n PRO 187 Cb 0.37 -1.76 0.00 0.00 -0.02 0.00 0.00 33.50 32.09 1xfj n PRO 187 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xfj n GLY 188 N 2.38 1.44 0.00 -1.23 0.00 -1.26 -4.90 105.19 101.62 1xfj n GLY 188 Ca 0.21 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.33 1xfj n GLY 188 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1xfj n SER 189 N 0.00 0.00 0.24 1.61 3.41 -0.55 -3.13 113.62 115.20 1xfj n SER 189 Ca 0.00 0.01 0.17 0.00 -0.26 0.00 0.00 58.87 58.79 1xfj n SER 189 Cb 0.00 -0.29 0.82 0.00 -0.26 0.00 0.00 64.21 64.48 1xfj n SER 189 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1xfj h GLY 190 N 3.36 0.00 2.00 5.00 0.00 -1.87 -1.80 103.07 109.75 1xfj h GLY 190 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1xfj h GLY 190 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 176.54 175.58 1xfj n ARG 191 N -2.71 0.00 -0.46 4.80 1.85 -1.18 -2.52 116.66 116.44 1xfj n ARG 191 Ca -0.01 0.15 0.09 0.00 -1.00 0.00 0.00 57.85 57.08 1xfj n ARG 191 Cb 0.13 -1.50 0.30 0.00 -1.05 0.00 0.00 32.46 30.34 1xfj n ARG 191 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 1xfj n PHE 192 N -1.50 1.14 -4.90 2.89 3.72 -0.68 -4.87 117.46 113.26 1xfj n PHE 192 Ca 0.05 -0.48 -0.33 0.00 -0.05 0.00 0.00 57.45 56.64 1xfj n PHE 192 Cb 0.23 -0.14 -0.13 0.00 -0.94 0.00 0.00 39.48 38.50 1xfj n PHE 192 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 1xfj s PHE 193 N -1.56 2.70 0.25 1.38 0.08 -1.05 -0.49 117.98 119.29 1xfj s PHE 193 Ca 0.44 -0.22 0.09 0.00 0.12 0.00 0.00 56.93 57.36 1xfj s PHE 193 Cb 0.26 -1.65 -0.05 0.00 -0.57 0.00 0.00 43.02 41.02 1xfj s PHE 193 CO 0.24 0.13 -0.15 0.15 -0.10 0.00 0.00 175.22 175.50 1xfj s LYS 194 N -0.61 1.53 0.25 0.44 1.02 0.82 -4.94 119.74 118.25 1xfj s LYS 194 Ca 0.09 -1.71 -0.31 0.00 0.02 0.00 0.00 55.97 54.06 1xfj s LYS 194 Cb -0.11 -1.40 -0.13 0.00 -0.52 0.00 0.00 37.83 35.66 1xfj s LYS 194 CO 0.01 0.21 1.35 -2.30 -0.92 0.00 0.00 175.35 173.70 1xfj n PRO 195 N -0.53 1.92 -1.05 -1.68 -0.02 -1.26 -1.05 135.00 131.34 1xfj n PRO 195 Ca -0.06 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 1xfj n PRO 195 Cb 0.61 -2.30 0.00 0.00 -0.02 0.00 0.00 33.50 31.79 1xfj n PRO 195 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xfj n GLY 196 N 1.91 2.57 0.33 -1.23 0.00 -1.22 -4.33 105.19 103.23 1xfj n GLY 196 Ca 0.11 -2.13 0.22 0.00 0.00 0.00 0.00 46.02 44.22 1xfj n GLY 196 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xfj h ALA 197 N 0.44 1.00 -2.86 4.61 0.00 -1.91 -3.45 119.26 117.10 1xfj h ALA 197 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 54.91 54.98 1xfj h ALA 197 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 1xfj h ALA 197 CO 0.00 0.00 0.30 -1.54 0.00 0.00 0.00 179.25 178.01 1xfj s SER 198 N -5.19 -0.17 0.62 0.00 1.04 -1.26 -5.01 113.70 103.73 1xfj s SER 198 Ca -0.04 -0.71 0.38 0.00 0.48 0.00 0.00 55.95 56.06 1xfj s SER 198 Cb 0.13 0.71 2.03 0.00 0.10 0.00 0.00 66.02 68.98 1xfj s SER 198 CO 0.42 -1.34 2.25 -0.33 0.98 0.00 0.00 173.24 175.22 1xfj h GLU 199 N 2.00 0.00 -0.01 4.02 4.39 -2.03 -0.19 114.58 122.76 1xfj h GLU 199 Ca -0.23 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.47 1xfj h GLU 199 Cb 1.24 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.89 1xfj h GLU 199 CO 0.28 0.02 -0.04 -0.25 -1.16 0.00 0.00 179.01 177.86 1xfj n ASP 200 N -3.28 0.93 -4.38 1.42 8.00 -1.26 -4.89 116.55 113.08 1xfj n ASP 200 Ca -0.02 -1.17 -0.19 0.00 0.71 0.00 0.00 54.79 54.12 1xfj n ASP 200 Cb 0.14 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.13 1xfj n ASP 200 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1xfj s LYS 201 N -2.13 1.45 0.11 -1.24 -0.14 -0.08 -3.64 119.74 114.07 1xfj s LYS 201 Ca 0.38 -1.74 -0.14 0.00 -1.36 0.00 0.00 55.97 53.11 1xfj s LYS 201 Cb 0.21 -0.87 0.02 0.00 -1.68 0.00 0.00 37.83 35.51 1xfj s LYS 201 CO 0.38 -0.05 0.33 1.03 -0.76 0.00 0.00 175.35 176.29 1xfj s ARG 202 N -3.81 0.98 -0.17 1.68 1.81 -0.63 -3.38 118.95 115.43 1xfj s ARG 202 Ca 0.29 -0.75 -0.05 0.00 -1.72 0.00 0.00 55.73 53.51 1xfj s ARG 202 Cb 0.05 0.42 -0.03 0.00 -0.45 0.00 0.00 34.95 34.94 1xfj s ARG 202 CO 0.11 -0.36 -0.01 -0.06 -0.68 0.00 0.00 175.30 174.29 1xfj s PHE 203 N -3.68 3.06 -0.16 -0.53 0.08 -0.21 -0.61 117.98 115.93 1xfj s PHE 203 Ca 0.03 -0.29 -0.08 0.00 0.12 0.00 0.00 56.93 56.71 1xfj s PHE 203 Cb 0.02 -2.01 -0.04 0.00 -0.57 0.00 0.00 43.02 40.42 1xfj s PHE 203 CO -0.11 -0.06 0.11 0.12 -0.10 0.00 0.00 175.22 175.18 1xfj s PHE 204 N 0.53 3.42 -1.03 0.36 5.36 0.06 -0.13 117.98 126.55 1xfj s PHE 204 Ca -0.02 0.33 -0.13 0.00 -0.96 0.00 0.00 56.93 56.15 1xfj s PHE 204 Cb -0.14 -2.04 0.22 0.00 -0.34 0.00 0.00 43.02 40.72 1xfj s PHE 204 CO 0.02 0.43 1.09 0.34 -1.46 0.00 0.00 175.22 175.64 1xfj s ASP 205 N -0.20 7.01 0.08 6.13 -1.08 0.35 -4.24 116.67 124.72 1xfj s ASP 205 Ca 0.10 -2.98 -0.27 0.00 -0.52 0.00 0.00 52.55 48.88 1xfj s ASP 205 Cb -0.12 -2.28 -0.16 0.00 -1.46 0.00 0.00 42.92 38.90 1xfj s ASP 205 CO 0.01 -0.59 1.69 0.25 0.52 0.00 0.00 175.17 177.05 1xfj h LEU 206 N 8.23 -0.37 -1.09 -1.34 5.85 -1.86 -1.81 115.31 122.93 1xfj h LEU 206 Ca 0.19 0.02 0.09 0.00 0.84 0.00 0.00 57.88 59.01 1xfj h LEU 206 Cb 0.94 0.10 -0.07 0.00 0.37 0.00 0.00 40.66 42.00 1xfj h LEU 206 CO 1.01 -0.25 0.62 1.55 -0.34 0.00 0.00 178.44 181.02 1xfj h PRO 207 N -0.41 0.99 -0.45 5.25 0.13 -1.91 0.90 132.00 136.49 1xfj h PRO 207 Ca -0.04 -0.06 -0.09 0.00 -0.87 0.00 0.00 66.00 64.94 1xfj h PRO 207 Cb 0.32 -0.22 -0.02 0.00 0.13 0.00 0.00 31.00 31.21 1xfj h PRO 207 CO 0.06 0.65 -0.09 0.00 -0.23 0.00 0.00 178.00 178.39 1xfj h ALA 208 N 1.52 1.00 -0.47 -0.56 0.00 -1.94 -0.06 119.26 118.74 1xfj h ALA 208 Ca 0.44 -0.31 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 1xfj h ALA 208 Cb 0.34 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1xfj h ALA 208 CO -0.20 0.60 -0.07 0.35 0.00 0.00 0.00 179.25 179.93 1xfj h PHE 209 N 0.73 0.98 -0.49 0.00 3.57 -0.30 -1.64 116.94 119.79 1xfj h PHE 209 Ca 0.13 -0.20 -0.07 0.00 3.53 0.00 0.00 57.97 61.36 1xfj h PHE 209 Cb 0.57 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 39.04 1xfj h PHE 209 CO 0.03 0.95 0.01 0.28 -2.23 0.00 0.00 178.31 177.34 1xfj h VAL 210 N 0.73 1.24 -0.30 1.41 2.07 -0.58 -1.20 116.25 119.62 1xfj h VAL 210 Ca 0.12 -1.01 -0.06 0.00 0.82 0.00 0.00 66.70 66.58 1xfj h VAL 210 Cb 0.61 0.86 -0.02 0.00 -1.52 0.00 0.00 31.29 31.22 1xfj h VAL 210 CO 0.04 0.36 -0.08 -0.07 0.02 0.00 0.00 177.57 177.84 1xfj h LEU 211 N 0.76 0.47 -0.70 2.57 3.38 -0.78 -0.99 115.31 120.03 1xfj h LEU 211 Ca 0.15 -0.11 -0.10 0.00 0.09 0.00 0.00 57.88 57.91 1xfj h LEU 211 Cb 0.45 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 1xfj h LEU 211 CO 0.02 0.60 -0.12 -0.78 0.09 0.00 0.00 178.44 178.24 1xfj h ASP 212 N 0.47 0.87 -0.63 -0.43 3.58 -0.57 -1.08 116.42 118.63 1xfj h ASP 212 Ca 0.09 -0.28 -0.09 0.00 0.42 0.00 0.00 57.03 57.17 1xfj h ASP 212 Cb 0.42 -0.24 -0.02 0.00 1.72 0.00 0.00 39.33 41.21 1xfj h ASP 212 CO 0.02 1.00 0.04 0.03 -2.88 0.00 0.00 179.24 177.45 1xfj h ARG 213 N 0.78 1.09 -0.23 0.28 2.47 -0.50 0.09 114.38 118.36 1xfj h ARG 213 Ca 0.13 -0.33 -0.01 0.00 -1.26 0.00 0.00 59.98 58.51 1xfj h ARG 213 Cb 0.64 -0.11 -0.01 0.00 -1.65 0.00 0.00 29.97 28.84 1xfj h ARG 213 CO 0.04 1.04 0.12 -0.07 0.56 0.00 0.00 179.97 181.67 1xfj h LEU 214 N 1.00 0.30 -0.74 3.04 3.38 -0.93 -0.75 115.31 120.60 1xfj h LEU 214 Ca 0.18 -0.10 0.02 0.00 0.09 0.00 0.00 57.88 58.07 1xfj h LEU 214 Cb 0.53 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.16 1xfj h LEU 214 CO 0.03 0.32 0.49 0.00 0.09 0.00 0.00 178.44 179.36 1xfj h ALA 215 N 0.99 0.95 0.00 1.53 0.00 -0.95 -0.39 119.26 121.39 1xfj h ALA 215 Ca 0.08 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1xfj h ALA 215 Cb 0.09 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1xfj h ALA 215 CO -0.01 0.33 -0.20 1.15 0.00 0.00 0.00 179.25 180.51 1xfj h THR 216 N 0.98 0.66 -0.10 0.00 2.02 -0.68 -2.01 112.91 113.77 1xfj h THR 216 Ca 0.28 -0.89 0.00 0.00 0.77 0.00 0.00 66.41 66.57 1xfj h THR 216 Cb -0.07 1.57 0.00 0.00 -1.74 0.00 0.00 68.15 67.91 1xfj h THR 216 CO -0.08 0.20 0.00 0.00 0.37 0.00 0.00 175.52 176.01 1xfj n ALA 217 N -2.28 2.55 -0.50 6.16 0.00 -0.31 -4.89 120.51 121.24 1xfj n ALA 217 Ca -0.01 -0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.08 1xfj n ALA 217 Cb 0.34 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 18.63 1xfj n ALA 217 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xfj n GLY 218 N 0.98 0.75 3.55 0.00 0.00 -0.76 -4.88 105.19 104.83 1xfj n GLY 218 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 1xfj n GLY 218 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xfj s VAL 219 N -2.48 4.19 -0.27 1.61 1.01 -0.27 -3.80 120.40 120.39 1xfj s VAL 219 Ca 0.00 0.56 0.21 0.00 0.00 0.00 0.00 61.98 62.75 1xfj s VAL 219 Cb 0.00 -4.64 0.08 0.00 0.00 0.00 0.00 36.38 31.82 1xfj s VAL 219 CO 0.00 -1.25 1.20 -0.33 0.00 0.00 0.00 175.10 174.72 1xfj h GLU 220 N 9.45 0.00 -4.57 2.72 5.08 -1.81 -3.33 114.58 122.12 1xfj h GLU 220 Ca -0.26 0.00 -0.70 0.00 -1.00 0.00 0.00 59.36 57.40 1xfj h GLU 220 Cb 1.06 0.00 -0.29 0.00 0.50 0.00 0.00 28.75 30.02 1xfj h GLU 220 CO 1.14 0.09 -0.55 1.03 -1.00 0.00 0.00 179.01 179.72 1xfj s ARG 221 N -3.22 2.55 0.19 2.33 0.52 -1.25 -5.06 118.95 115.00 1xfj s ARG 221 Ca 0.02 -1.35 -0.13 0.00 -0.52 0.00 0.00 55.73 53.74 1xfj s ARG 221 Cb 0.08 -3.59 0.01 0.00 0.52 0.00 0.00 34.95 31.96 1xfj s ARG 221 CO 0.76 -0.82 0.41 -0.98 0.02 0.00 0.00 175.30 174.68 1xfj s ARG 222 N 1.38 1.31 -0.17 3.54 1.70 -1.26 -0.99 118.95 124.46 1xfj s ARG 222 Ca 0.01 -1.08 -0.35 0.00 -0.47 0.00 0.00 55.73 53.85 1xfj s ARG 222 Cb -0.21 0.45 0.14 0.00 -0.57 0.00 0.00 34.95 34.75 1xfj s ARG 222 CO 0.02 -0.52 1.25 -1.83 -1.08 0.00 0.00 175.30 173.13 1xfj s GLU 223 N -3.94 0.29 -0.10 3.89 -1.05 -1.15 -5.01 118.70 111.62 1xfj s GLU 223 Ca 0.15 -0.12 0.01 0.00 -0.15 0.00 0.00 54.97 54.86 1xfj s GLU 223 Cb 0.01 0.12 -0.02 0.00 -0.44 0.00 0.00 34.13 33.80 1xfj s GLU 223 CO 0.01 -0.13 -0.12 -0.46 0.95 0.00 0.00 175.26 175.51 1xfj s TRP 224 N -2.37 2.81 -0.95 4.83 -0.00 -1.26 -0.56 118.94 121.44 1xfj s TRP 224 Ca 0.11 -0.39 0.11 0.00 -0.00 0.00 0.00 56.10 55.93 1xfj s TRP 224 Cb 0.00 -1.77 0.46 0.00 -0.00 0.00 0.00 33.47 32.16 1xfj s TRP 224 CO -0.04 -0.01 1.34 1.33 -0.00 0.00 0.00 176.95 179.57 1xfj n VAL 225 N 3.00 1.30 -3.30 5.86 0.24 -0.64 -4.89 118.33 119.89 1xfj n VAL 225 Ca -0.18 0.34 -0.18 0.00 -2.04 0.00 0.00 64.34 62.28 1xfj n VAL 225 Cb 0.53 -1.18 0.06 0.00 -1.47 0.00 0.00 33.84 31.77 1xfj n VAL 225 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1xfj n GLY 226 N -0.50 -0.19 3.29 7.63 0.00 -1.26 -5.02 105.19 109.14 1xfj n GLY 226 Ca 0.02 0.03 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 1xfj n GLY 226 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xfj s ARG 227 N -5.96 3.21 -0.43 1.61 1.81 -1.26 -5.10 118.95 112.83 1xfj s ARG 227 Ca 0.43 -0.78 -0.17 0.00 -1.72 0.00 0.00 55.73 53.50 1xfj s ARG 227 Cb -0.19 -2.48 0.03 0.00 -0.45 0.00 0.00 34.95 31.86 1xfj s ARG 227 CO 0.54 0.17 0.40 0.34 -0.68 0.00 0.00 175.30 176.07 1xfj s ASP 228 N 0.41 6.17 0.21 0.23 -1.08 -1.26 -2.24 116.67 119.11 1xfj s ASP 228 Ca -0.14 -0.83 -0.09 0.00 -0.52 0.00 0.00 52.55 50.97 1xfj s ASP 228 Cb -0.17 -2.20 0.22 0.00 -1.46 0.00 0.00 42.92 39.31 1xfj s ASP 228 CO 0.06 -0.57 1.83 0.71 0.52 0.00 0.00 175.17 177.73 1xfj h THR 229 N 5.71 1.04 -0.48 1.71 1.35 -1.47 -1.29 112.91 119.48 1xfj h THR 229 Ca -0.27 -0.27 -0.11 0.00 -0.55 0.00 0.00 66.41 65.20 1xfj h THR 229 Cb 1.11 0.17 -0.02 0.00 -1.73 0.00 0.00 68.15 67.69 1xfj h THR 229 CO 0.79 0.14 -0.15 -0.09 -0.25 0.00 0.00 175.52 175.96 1xfj h ARG 230 N 0.79 0.93 0.03 4.72 1.12 -1.83 -3.26 114.38 116.88 1xfj h ARG 230 Ca 0.30 -0.35 -0.22 0.00 -1.11 0.00 0.00 59.98 58.59 1xfj h ARG 230 Cb 0.10 -0.05 -0.01 0.00 -0.01 0.00 0.00 29.97 30.00 1xfj h ARG 230 CO -0.14 1.01 -0.98 0.00 -3.11 0.00 0.00 179.97 176.75 1xfj h ALA 231 N 1.00 0.38 -2.32 2.80 0.00 -1.87 -3.40 119.26 115.85 1xfj h ALA 231 Ca 0.12 -0.77 -0.78 0.00 0.00 0.00 0.00 54.91 53.48 1xfj h ALA 231 Cb 0.70 -0.06 -0.30 0.00 0.00 0.00 0.00 17.79 18.13 1xfj h ALA 231 CO 0.05 0.94 0.44 0.39 0.00 0.00 0.00 179.25 181.07 1xfj n GLU 232 N -3.62 3.72 0.31 0.00 1.02 -0.51 -4.83 120.64 116.73 1xfj n GLU 232 Ca -0.05 -4.52 0.17 0.00 -0.02 0.00 0.00 57.16 52.75 1xfj n GLU 232 Cb 0.87 -2.49 0.99 0.00 -0.02 0.00 0.00 31.44 30.79 1xfj n GLU 232 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 1xfj h GLU 233 N 5.89 0.00 -0.46 3.49 4.81 -1.77 0.29 114.58 126.83 1xfj h GLU 233 Ca 0.19 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.38 1xfj h GLU 233 Cb 0.74 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.10 1xfj h GLU 233 CO 1.11 0.01 0.15 1.49 -0.73 0.00 0.00 179.01 181.04 1xfj h GLU 234 N 0.00 0.67 0.00 1.92 4.81 -1.94 -3.33 114.58 116.71 1xfj h GLU 234 Ca -0.00 -0.11 -0.01 0.00 -0.13 0.00 0.00 59.36 59.11 1xfj h GLU 234 Cb 0.04 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.30 1xfj h GLU 234 CO 0.00 0.58 -1.31 0.91 -0.73 0.00 0.00 179.01 178.46 1xfj n TRP 235 N -4.33 0.00 -4.13 0.92 7.02 -0.58 -4.83 117.44 111.50 1xfj n TRP 235 Ca 0.03 0.00 -0.16 0.00 -1.02 0.00 0.00 57.50 56.35 1xfj n TRP 235 Cb 0.18 -0.16 -0.12 0.00 -2.42 0.00 0.00 31.31 28.79 1xfj n TRP 235 CO 0.00 0.00 0.00 -0.06 -2.02 0.00 0.00 177.69 175.61 1xfj s PHE 236 N -2.42 0.94 0.56 -5.99 0.08 -0.01 -0.53 117.98 110.62 1xfj s PHE 236 Ca -0.02 -0.46 -0.14 0.00 0.12 0.00 0.00 56.93 56.43 1xfj s PHE 236 Cb 0.04 -0.55 -0.06 0.00 -0.57 0.00 0.00 43.02 41.88 1xfj s PHE 236 CO 0.27 -0.01 1.00 -0.06 -0.10 0.00 0.00 175.22 176.32 1xfj s PHE 237 N -1.26 3.54 -0.21 0.36 0.08 -1.26 -4.42 117.98 114.81 1xfj s PHE 237 Ca -0.05 1.38 -0.07 0.00 0.12 0.00 0.00 56.93 58.30 1xfj s PHE 237 Cb -0.10 -2.75 0.10 0.00 -0.57 0.00 0.00 43.02 39.70 1xfj s PHE 237 CO 0.01 -0.52 0.44 0.45 -0.10 0.00 0.00 175.22 175.50 1xfj s SER 238 N -3.60 -0.31 0.24 1.36 0.15 -1.26 -4.46 113.70 105.82 1xfj s SER 238 Ca 0.57 0.99 -0.06 0.00 0.70 0.00 0.00 55.95 58.15 1xfj s SER 238 Cb -0.10 1.42 0.23 0.00 -1.71 0.00 0.00 66.02 65.85 1xfj s SER 238 CO 0.42 -0.23 1.87 -1.13 1.20 0.00 0.00 173.24 175.36 1xfj h ASN 239 N 8.16 1.12 -0.51 5.45 -1.24 -1.00 -0.22 115.58 127.34 1xfj h ASN 239 Ca -0.16 -0.09 -0.08 0.00 0.71 0.00 0.00 56.30 56.68 1xfj h ASN 239 Cb 1.11 -0.28 -0.02 0.00 0.73 0.00 0.00 38.32 39.86 1xfj h ASN 239 CO 0.13 0.89 0.01 -0.09 -1.29 0.00 0.00 177.43 177.08 1xfj h ARG 240 N 1.26 0.90 -0.50 6.67 9.65 -1.96 0.26 114.38 130.66 1xfj h ARG 240 Ca 0.32 -0.28 -0.08 0.00 -1.10 0.00 0.00 59.98 58.84 1xfj h ARG 240 Cb 0.01 -0.08 -0.02 0.00 -1.39 0.00 0.00 29.97 28.49 1xfj h ARG 240 CO -0.05 0.92 -0.01 -0.09 2.80 0.00 0.00 179.97 183.53 1xfj h ARG 241 N 0.76 0.83 -0.78 0.20 2.43 -1.82 -1.67 114.38 114.34 1xfj h ARG 241 Ca 0.15 -0.23 -0.04 0.00 -0.81 0.00 0.00 59.98 59.04 1xfj h ARG 241 Cb 0.50 -0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 29.93 1xfj h ARG 241 CO 0.02 0.84 0.33 0.00 -1.51 0.00 0.00 179.97 179.66 1xfj h ALA 242 N 1.21 1.11 -0.15 2.80 0.00 -0.61 -1.30 119.26 122.32 1xfj h ALA 242 Ca 0.15 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1xfj h ALA 242 Cb 0.48 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1xfj h ALA 242 CO 0.02 0.65 0.08 0.35 0.00 0.00 0.00 179.25 180.35 1xfj h PHE 243 N 1.13 0.21 0.00 0.00 3.57 -0.37 -0.14 116.94 121.34 1xfj h PHE 243 Ca 0.26 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.73 1xfj h PHE 243 Cb 0.18 -0.07 -0.00 0.00 2.79 0.00 0.00 35.95 38.85 1xfj h PHE 243 CO 0.02 0.22 -0.12 -0.07 -2.23 0.00 0.00 178.31 176.12 1xfj h LEU 244 N 0.14 0.00 -1.72 0.59 3.38 -1.04 -2.60 115.31 114.06 1xfj h LEU 244 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1xfj h LEU 244 Cb 0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1xfj h LEU 244 CO -0.01 0.12 0.00 0.59 0.09 0.00 0.00 178.44 179.23 1xfj n ASN 245 N -3.38 2.66 -1.83 -0.43 4.13 -0.52 -4.96 115.26 110.94 1xfj n ASN 245 Ca -0.01 -1.88 -0.15 0.00 1.68 0.00 0.00 54.58 54.22 1xfj n ASN 245 Cb 0.31 -0.01 0.01 0.00 -1.54 0.00 0.00 39.78 38.54 1xfj n ASN 245 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1xfj n ASN 246 N 1.08 -4.50 -4.79 6.41 4.13 -0.64 -5.00 115.26 111.96 1xfj n ASN 246 Ca 0.15 -0.09 -0.38 0.00 1.68 0.00 0.00 54.58 55.95 1xfj n ASN 246 Cb 0.54 -3.54 -0.06 0.00 -1.54 0.00 0.00 39.78 35.18 1xfj n ASN 246 CO 0.00 0.00 0.00 -1.81 0.28 0.00 0.00 177.26 175.73 1xfj s ASP 247 N -2.54 7.25 0.00 6.41 1.01 -0.16 -4.94 116.67 123.71 1xfj s ASP 247 Ca 0.08 1.57 0.11 0.00 0.71 0.00 0.00 52.55 55.03 1xfj s ASP 247 Cb -0.04 -2.48 0.40 0.00 1.01 0.00 0.00 42.92 41.82 1xfj s ASP 247 CO 0.10 0.12 1.30 0.61 0.21 0.00 0.00 175.17 177.51 1xfj n GLY 248 N 1.16 0.13 3.90 0.21 0.00 -1.26 -4.60 105.19 104.74 1xfj n GLY 248 Ca -0.04 -0.30 -0.03 0.00 0.00 0.00 0.00 46.02 45.66 1xfj n GLY 248 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1xfj s ASP 249 N -1.16 0.02 0.12 1.61 2.15 -1.26 -5.05 116.67 113.10 1xfj s ASP 249 Ca 0.21 -0.70 -0.24 0.00 0.43 0.00 0.00 52.55 52.25 1xfj s ASP 249 Cb 0.11 0.50 0.07 0.00 -0.30 0.00 0.00 42.92 43.30 1xfj s ASP 249 CO 0.15 -1.01 0.60 -0.72 -0.17 0.00 0.00 175.17 174.03 1xfj s TYR 250 N -2.06 -0.54 0.68 -5.34 -0.85 -1.26 -4.92 117.35 103.05 1xfj s TYR 250 Ca 0.23 0.45 -0.11 0.00 -0.52 0.00 0.00 57.07 57.12 1xfj s TYR 250 Cb -0.03 0.52 -0.00 0.00 0.38 0.00 0.00 41.96 42.83 1xfj s TYR 250 CO 0.06 -0.80 1.06 0.20 -1.52 0.00 0.00 175.55 174.54 1xfj s GLY 251 N -2.47 1.71 -0.07 5.49 0.00 -1.26 -4.92 107.32 105.79 1xfj s GLY 251 Ca -0.01 0.10 0.05 0.00 0.00 0.00 0.00 44.72 44.85 1xfj s GLY 251 CO -0.09 0.40 -0.22 0.50 0.00 0.00 0.00 173.10 173.70 1xfj s ARG 252 N -4.96 2.73 0.07 2.90 1.81 -1.26 -4.66 118.95 115.57 1xfj s ARG 252 Ca 0.58 -0.84 -0.14 0.00 -1.72 0.00 0.00 55.73 53.61 1xfj s ARG 252 Cb -0.14 -2.28 -0.06 0.00 -0.45 0.00 0.00 34.95 32.02 1xfj s ARG 252 CO 0.53 0.36 0.46 -0.51 -0.68 0.00 0.00 175.30 175.47 1xfj s LEU 253 N -0.10 4.42 0.02 2.53 1.43 0.11 -2.22 118.68 124.86 1xfj s LEU 253 Ca -0.05 0.98 0.01 0.00 -1.03 0.00 0.00 54.13 54.04 1xfj s LEU 253 Cb -0.14 -2.89 -0.04 0.00 0.03 0.00 0.00 46.19 43.15 1xfj s LEU 253 CO 0.04 0.23 0.07 -0.22 0.23 0.00 0.00 176.35 176.70 1xfj s LEU 254 N -1.51 3.82 -0.04 1.79 2.96 -1.26 -0.93 118.68 123.50 1xfj s LEU 254 Ca 0.30 0.09 0.01 0.00 -0.22 0.00 0.00 54.13 54.31 1xfj s LEU 254 Cb -0.16 -2.29 0.02 0.00 0.50 0.00 0.00 46.19 44.26 1xfj s LEU 254 CO 0.17 0.25 -0.04 -0.44 -1.32 0.00 0.00 176.35 174.96 1xfj s SER 255 N -1.87 0.87 0.15 3.68 0.01 -0.33 -1.09 113.70 115.11 1xfj s SER 255 Ca 0.24 -0.12 -0.12 0.00 1.31 0.00 0.00 55.95 57.26 1xfj s SER 255 Cb -0.12 -0.41 0.01 0.00 0.21 0.00 0.00 66.02 65.71 1xfj s SER 255 CO 0.15 -0.05 0.33 0.00 0.41 0.00 0.00 173.24 174.09 1xfj s ALA 256 N 0.83 -0.39 0.00 1.44 0.00 -0.29 -1.00 121.76 122.35 1xfj s ALA 256 Ca -0.11 -0.55 -0.12 0.00 0.00 0.00 0.00 51.96 51.18 1xfj s ALA 256 Cb -0.14 0.75 0.01 0.00 0.00 0.00 0.00 23.12 23.75 1xfj s ALA 256 CO 0.00 -0.65 0.24 -1.50 0.00 0.00 0.00 175.76 173.85 1xfj s ILE 257 N -3.90 0.07 0.02 0.00 2.07 -0.45 -1.31 121.20 117.70 1xfj s ILE 257 Ca 0.11 -0.60 -0.16 0.00 -1.41 0.00 0.00 60.65 58.58 1xfj s ILE 257 Cb 0.02 -0.60 0.03 0.00 0.13 0.00 0.00 42.46 42.04 1xfj s ILE 257 CO -0.05 -0.33 0.36 0.28 -1.91 0.00 0.00 174.94 173.29 1xfj s THR 258 N -1.54 0.06 -0.39 4.00 -1.32 0.25 -0.90 115.64 115.81 1xfj s THR 258 Ca -0.13 -0.52 -0.20 0.00 -1.21 0.00 0.00 61.69 59.64 1xfj s THR 258 Cb -0.05 -0.86 0.01 0.00 -1.51 0.00 0.00 72.50 70.08 1xfj s THR 258 CO 0.02 -0.29 0.60 -0.76 -2.21 0.00 0.00 174.62 171.99 1xfj s LEU 259 N -1.81 4.39 0.00 9.08 1.43 -1.26 -1.73 118.68 128.79 1xfj s LEU 259 Ca -0.08 -0.10 0.00 0.00 -1.03 0.00 0.00 54.13 52.93 1xfj s LEU 259 Cb -0.02 -2.70 0.00 0.00 0.03 0.00 0.00 46.19 43.50 1xfj s LEU 259 CO -0.00 -0.63 0.49 -0.62 0.23 0.00 0.00 176.35 175.82