#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fxm s ALA 3 N 0.00 -0.44 0.17 4.61 0.00 -1.26 -5.16 121.76 119.68 3fxm s ALA 3 Ca 0.00 -0.06 0.04 0.00 0.00 0.00 0.00 51.96 51.94 3fxm s ALA 3 Cb 0.00 0.13 -0.04 0.00 0.00 0.00 0.00 23.12 23.22 3fxm s ALA 3 CO 0.00 -0.25 0.21 -0.06 0.00 0.00 0.00 175.76 175.66 3fxm s PHE 4 N -1.58 3.30 0.90 0.00 0.08 -1.26 -3.90 117.98 115.52 3fxm s PHE 4 Ca -0.13 0.03 -0.11 0.00 0.12 0.00 0.00 56.93 56.85 3fxm s PHE 4 Cb -0.06 -1.57 0.13 0.00 -0.57 0.00 0.00 43.02 40.95 3fxm s PHE 4 CO 0.01 0.51 1.10 -0.51 -0.10 0.00 0.00 175.22 176.24 3fxm s LEU 5 N -3.24 2.51 0.16 -0.37 1.02 0.87 -4.83 118.68 114.80 3fxm s LEU 5 Ca 0.33 1.83 -0.01 0.00 0.02 0.00 0.00 54.13 56.29 3fxm s LEU 5 Cb -0.10 -4.25 0.01 0.00 0.02 0.00 0.00 46.19 41.86 3fxm s LEU 5 CO 0.26 -2.82 1.39 0.44 0.02 0.00 0.00 176.35 175.64 3fxm h ASP 6 N -1.67 0.45 -4.11 2.29 3.45 -2.00 -3.45 116.42 111.38 3fxm h ASP 6 Ca -0.47 -0.32 -0.32 0.00 0.43 0.00 0.00 57.03 56.35 3fxm h ASP 6 Cb 1.27 -0.13 -0.27 0.00 -0.56 0.00 0.00 39.33 39.64 3fxm h ASP 6 CO 0.49 1.09 -0.75 -0.54 -1.57 0.00 0.00 179.24 177.95 3fxm s LYS 7 N -3.43 0.47 0.32 3.56 1.02 -1.26 -5.14 119.74 115.28 3fxm s LYS 7 Ca -0.05 -0.33 -0.29 0.00 0.02 0.00 0.00 55.97 55.32 3fxm s LYS 7 Cb 0.10 -0.41 -0.10 0.00 -0.52 0.00 0.00 37.83 36.89 3fxm s LYS 7 CO 0.84 0.11 1.41 -1.25 -0.92 0.00 0.00 175.35 175.54 3fxm s PRO 8 N -0.46 4.25 -0.63 -1.68 0.04 -1.26 -4.86 135.00 130.39 3fxm s PRO 8 Ca -0.00 2.36 -0.25 0.00 0.04 0.00 0.00 61.00 63.15 3fxm s PRO 8 Cb -0.04 -3.05 0.04 0.00 0.04 0.00 0.00 34.50 31.50 3fxm s PRO 8 CO -0.00 -0.37 1.07 0.15 0.04 0.00 0.00 177.00 177.89 3fxm s LYS 9 N -1.44 3.27 0.00 4.56 1.02 -0.72 -4.89 119.74 121.54 3fxm s LYS 9 Ca 0.53 -0.33 0.24 0.00 0.02 0.00 0.00 55.97 56.43 3fxm s LYS 9 Cb -0.43 -4.13 0.37 0.00 -0.52 0.00 0.00 37.83 33.13 3fxm s LYS 9 CO 0.53 -1.77 1.37 0.00 -0.92 0.00 0.00 175.35 174.55 3fxm n MET 10 N 8.16 2.35 -1.70 1.68 0.00 -1.26 -0.55 117.12 125.80 3fxm n MET 10 Ca 0.02 -2.00 -0.43 0.00 0.00 0.00 0.00 57.70 55.29 3fxm n MET 10 Cb 0.48 -1.48 -0.03 0.00 0.00 0.00 0.00 33.22 32.18 3fxm n MET 10 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 175.97 174.06 3fxm n GLU 11 N 1.30 2.68 -3.43 3.17 2.13 -1.26 -4.94 120.64 120.29 3fxm n GLU 11 Ca 0.17 0.97 -0.33 0.00 0.66 0.00 0.00 57.16 58.63 3fxm n GLU 11 Cb 0.58 -2.83 -0.05 0.00 0.27 0.00 0.00 31.44 29.41 3fxm n GLU 11 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 3fxm s LYS 12 N 1.83 3.85 -0.13 5.31 -0.14 -1.26 -4.33 119.74 124.87 3fxm s LYS 12 Ca 0.79 0.32 0.02 0.00 -1.36 0.00 0.00 55.97 55.74 3fxm s LYS 12 Cb -0.53 -2.79 0.01 0.00 -1.68 0.00 0.00 37.83 32.84 3fxm s LYS 12 CO 0.36 0.41 -0.21 -1.01 -0.76 0.00 0.00 175.35 174.13 3fxm s HIS 13 N -1.64 2.67 0.24 3.18 3.76 -0.00 -4.95 115.29 118.54 3fxm s HIS 13 Ca 0.42 -1.24 0.11 0.00 -0.15 0.00 0.00 55.06 54.21 3fxm s HIS 13 Cb -0.13 -1.81 -0.05 0.00 1.11 0.00 0.00 32.58 31.71 3fxm s HIS 13 CO 0.20 -0.55 -0.20 -0.80 -0.85 0.00 0.00 174.74 172.54 3fxm s ASN 14 N 0.72 3.63 0.20 1.40 0.01 -1.26 -1.64 114.94 118.00 3fxm s ASN 14 Ca -0.09 -0.91 -0.11 0.00 -0.71 0.00 0.00 52.86 51.04 3fxm s ASN 14 Cb -0.16 -0.34 -0.00 0.00 0.41 0.00 0.00 41.25 41.15 3fxm s ASN 14 CO 0.00 0.08 0.38 0.00 -1.51 0.00 0.00 177.10 176.05 3fxm s ALA 15 N -2.10 -0.14 -0.03 0.60 0.00 -1.22 -4.99 121.76 113.89 3fxm s ALA 15 Ca 0.26 -0.85 -0.29 0.00 0.00 0.00 0.00 51.96 51.09 3fxm s ALA 15 Cb -0.07 0.98 0.09 0.00 0.00 0.00 0.00 23.12 24.12 3fxm s ALA 15 CO 0.13 -0.75 0.79 1.14 0.00 0.00 0.00 175.76 177.08 3fxm s GLN 16 N -3.99 0.93 0.15 0.00 -2.07 -1.26 -1.62 119.66 111.80 3fxm s GLN 16 Ca 0.20 -0.04 -0.24 0.00 -1.82 0.00 0.00 55.36 53.45 3fxm s GLN 16 Cb 0.01 0.43 0.08 0.00 -1.09 0.00 0.00 33.01 32.45 3fxm s GLN 16 CO 0.04 -0.35 1.04 0.20 -1.32 0.00 0.00 175.29 174.91 3fxm s GLY 17 N -1.77 -0.08 -0.18 2.60 0.00 -0.91 -4.99 107.32 101.98 3fxm s GLY 17 Ca -0.03 -0.04 -0.16 0.00 0.00 0.00 0.00 44.72 44.50 3fxm s GLY 17 CO -0.01 1.31 0.48 1.62 0.00 0.00 0.00 173.10 176.50 3fxm s GLN 18 N -2.63 0.55 0.00 2.90 0.74 -1.26 -1.39 119.66 118.57 3fxm s GLN 18 Ca 0.17 0.70 0.00 0.00 0.05 0.00 0.00 55.36 56.29 3fxm s GLN 18 Cb -0.01 0.23 0.00 0.00 1.10 0.00 0.00 33.01 34.33 3fxm s GLN 18 CO 0.03 -0.08 0.00 0.41 -0.55 0.00 0.00 175.29 175.10 3fxm n GLY 19 N 3.05 4.16 3.45 2.59 0.00 -0.92 -4.98 105.19 112.53 3fxm n GLY 19 Ca -0.15 -0.52 -0.22 0.00 0.00 0.00 0.00 46.02 45.13 3fxm n GLY 19 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3fxm n ASN 20 N 0.00 -5.91 0.00 1.61 3.02 -1.26 -2.42 115.26 110.30 3fxm n ASN 20 Ca 0.00 -0.51 0.00 0.00 -0.03 0.00 0.00 54.58 54.04 3fxm n ASN 20 Cb 0.00 -4.73 0.00 0.00 -0.61 0.00 0.00 39.78 34.44 3fxm n ASN 20 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3fxm n GLY 21 N -1.88 0.36 3.93 7.41 0.00 -1.26 -4.99 105.19 108.77 3fxm n GLY 21 Ca -0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 3fxm n GLY 21 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fxm s LEU 22 N 0.00 4.33 0.02 0.99 1.43 -1.02 -3.90 118.68 120.54 3fxm s LEU 22 Ca 0.00 0.20 0.04 0.00 -1.03 0.00 0.00 54.13 53.34 3fxm s LEU 22 Cb 0.00 -2.91 -0.02 0.00 0.03 0.00 0.00 46.19 43.29 3fxm s LEU 22 CO 0.00 0.10 -0.12 -0.13 0.23 0.00 0.00 176.35 176.43 3fxm s ARG 23 N -2.94 0.84 -0.01 1.70 0.52 -0.97 -2.16 118.95 115.93 3fxm s ARG 23 Ca 0.35 -0.60 -0.06 0.00 -0.52 0.00 0.00 55.73 54.90 3fxm s ARG 23 Cb -0.12 -0.81 0.00 0.00 0.52 0.00 0.00 34.95 34.55 3fxm s ARG 23 CO 0.28 0.21 0.12 1.52 0.02 0.00 0.00 175.30 177.45 3fxm s TYR 24 N -0.66 0.02 0.07 -0.53 -0.85 -0.49 -0.30 117.35 114.61 3fxm s TYR 24 Ca 0.01 -0.06 0.02 0.00 -0.52 0.00 0.00 57.07 56.53 3fxm s TYR 24 Cb -0.06 -0.04 -0.03 0.00 0.38 0.00 0.00 41.96 42.20 3fxm s TYR 24 CO 0.00 -0.23 -0.08 0.20 -1.52 0.00 0.00 175.55 173.93 3fxm s GLY 25 N -1.06 0.66 0.04 5.49 0.00 -0.76 -2.13 107.32 109.56 3fxm s GLY 25 Ca -0.12 -1.04 -0.03 0.00 0.00 0.00 0.00 44.72 43.54 3fxm s GLY 25 CO 0.01 -1.11 0.03 0.48 0.00 0.00 0.00 173.10 172.51 3fxm s LEU 26 N -2.22 2.12 -0.12 0.66 0.05 -0.64 -1.04 118.68 117.49 3fxm s LEU 26 Ca 0.00 -0.70 -0.07 0.00 0.05 0.00 0.00 54.13 53.41 3fxm s LEU 26 Cb -0.04 0.38 0.05 0.00 -2.05 0.00 0.00 46.19 44.53 3fxm s LEU 26 CO -0.01 -0.51 0.30 -0.55 -0.55 0.00 0.00 176.35 175.02 3fxm s SER 27 N -2.33 -0.34 0.07 1.48 0.15 -0.22 -3.37 113.70 109.14 3fxm s SER 27 Ca -0.02 0.63 0.08 0.00 0.70 0.00 0.00 55.95 57.33 3fxm s SER 27 Cb 0.01 0.53 -0.03 0.00 -1.71 0.00 0.00 66.02 64.82 3fxm s SER 27 CO -0.06 -0.17 -0.20 -0.94 1.20 0.00 0.00 173.24 173.07 3fxm s SER 28 N 1.16 2.42 -0.13 5.45 1.04 -0.65 -0.59 113.70 122.39 3fxm s SER 28 Ca -0.08 -0.60 -0.13 0.00 0.48 0.00 0.00 55.95 55.61 3fxm s SER 28 Cb -0.09 -0.16 0.04 0.00 0.10 0.00 0.00 66.02 65.91 3fxm s SER 28 CO -0.09 0.09 0.37 -0.32 0.98 0.00 0.00 173.24 174.28 3fxm s MET 29 N -1.57 0.46 0.07 4.02 1.75 -0.11 -0.82 119.30 123.10 3fxm s MET 29 Ca 0.06 0.46 -0.16 0.00 -1.25 0.00 0.00 55.69 54.80 3fxm s MET 29 Cb -0.09 0.22 -0.16 0.00 2.84 0.00 0.00 34.83 37.64 3fxm s MET 29 CO 0.03 -0.06 1.28 0.37 -0.65 0.00 0.00 175.02 175.98 3fxm h GLN 30 N 5.40 0.63 0.00 4.11 4.15 -1.75 -2.35 115.11 125.30 3fxm h GLN 30 Ca -0.27 -0.48 0.00 0.00 0.77 0.00 0.00 58.65 58.67 3fxm h GLN 30 Cb 1.18 0.09 0.00 0.00 0.21 0.00 0.00 27.48 28.96 3fxm h GLN 30 CO 0.28 1.10 0.00 0.41 -1.93 0.00 0.00 178.83 178.70 3fxm n GLY 31 N 0.63 0.17 0.22 2.39 0.00 0.28 -3.70 105.19 105.19 3fxm n GLY 31 Ca -0.07 -0.91 0.15 0.00 0.00 0.00 0.00 46.02 45.19 3fxm n GLY 31 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 3fxm h TRP 32 N 0.00 0.00 -4.03 1.61 4.06 -1.80 -1.91 115.95 113.88 3fxm h TRP 32 Ca 0.00 0.00 -0.46 0.00 2.06 0.00 0.00 58.89 60.49 3fxm h TRP 32 Cb 0.00 0.00 0.01 0.00 -1.00 0.00 0.00 29.16 28.17 3fxm h TRP 32 CO 0.00 0.00 0.38 1.03 -3.56 0.00 0.00 178.44 176.29 3fxm s ARG 33 N -3.59 4.07 0.54 0.49 1.81 -1.25 -0.09 118.95 120.93 3fxm s ARG 33 Ca 0.01 1.33 0.30 0.00 -1.72 0.00 0.00 55.73 55.65 3fxm s ARG 33 Cb 0.09 -2.29 1.53 0.00 -0.45 0.00 0.00 34.95 33.84 3fxm s ARG 33 CO 0.44 -0.19 2.09 0.28 -0.68 0.00 0.00 175.30 177.24 3fxm h VAL 34 N 1.90 0.44 -3.48 3.52 2.07 -1.88 -3.43 116.25 115.39 3fxm h VAL 34 Ca -0.49 -0.48 -0.43 0.00 0.82 0.00 0.00 66.70 66.12 3fxm h VAL 34 Cb 1.21 1.33 -0.18 0.00 -1.52 0.00 0.00 31.29 32.13 3fxm h VAL 34 CO 0.61 0.09 -0.76 -1.61 0.02 0.00 0.00 177.57 175.92 3fxm s GLU 35 N -4.12 1.08 -0.45 1.57 0.41 -1.26 -5.01 118.70 110.92 3fxm s GLU 35 Ca -0.03 -1.30 -0.17 0.00 -0.41 0.00 0.00 54.97 53.07 3fxm s GLU 35 Cb 0.13 -0.96 0.04 0.00 -1.78 0.00 0.00 34.13 31.55 3fxm s GLU 35 CO 0.56 0.18 0.42 1.41 -0.49 0.00 0.00 175.26 177.35 3fxm s MET 36 N -2.82 3.04 0.00 1.61 -2.45 -1.26 -4.86 119.30 112.56 3fxm s MET 36 Ca 0.11 -1.00 0.05 0.00 -1.25 0.00 0.00 55.69 53.61 3fxm s MET 36 Cb -0.04 -4.04 0.12 0.00 1.25 0.00 0.00 34.83 32.12 3fxm s MET 36 CO 0.04 -0.93 0.98 0.39 1.05 0.00 0.00 175.02 176.55 3fxm n GLU 37 N 5.48 1.92 -2.63 4.11 1.02 -1.26 -4.88 120.64 124.40 3fxm n GLU 37 Ca -0.09 -1.47 -0.34 0.00 -0.02 0.00 0.00 57.16 55.23 3fxm n GLU 37 Cb 0.46 -1.13 -0.05 0.00 -0.02 0.00 0.00 31.44 30.71 3fxm n GLU 37 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3fxm s ASP 38 N -0.83 6.61 0.21 1.62 1.11 -1.26 -1.27 116.67 122.86 3fxm s ASP 38 Ca 0.10 1.88 -0.00 0.00 0.18 0.00 0.00 52.55 54.71 3fxm s ASP 38 Cb 0.06 -2.56 -0.04 0.00 1.07 0.00 0.00 42.92 41.44 3fxm s ASP 38 CO 0.08 -0.59 0.11 0.00 1.18 0.00 0.00 175.17 175.95 3fxm s ALA 39 N -1.96 1.33 0.18 5.23 0.00 0.91 -4.93 121.76 122.53 3fxm s ALA 39 Ca 0.64 -1.74 -0.09 0.00 0.00 0.00 0.00 51.96 50.77 3fxm s ALA 39 Cb -0.15 1.23 -0.01 0.00 0.00 0.00 0.00 23.12 24.18 3fxm s ALA 39 CO 0.20 -0.53 0.30 -3.38 0.00 0.00 0.00 175.76 172.35 3fxm s HIS 40 N -4.01 0.46 -0.02 0.00 -3.43 -1.26 -0.18 115.29 106.84 3fxm s HIS 40 Ca 0.37 -0.81 0.00 0.00 -0.80 0.00 0.00 55.06 53.83 3fxm s HIS 40 Cb 0.07 -0.06 0.02 0.00 -1.43 0.00 0.00 32.58 31.18 3fxm s HIS 40 CO 0.12 -0.76 -0.00 0.99 -2.00 0.00 0.00 174.74 173.09 3fxm s THR 41 N -3.99 0.14 -0.18 -5.38 2.01 0.35 -4.81 115.64 103.78 3fxm s THR 41 Ca 0.20 0.06 -0.05 0.00 0.31 0.00 0.00 61.69 62.21 3fxm s THR 41 Cb 0.03 -0.21 0.07 0.00 0.01 0.00 0.00 72.50 72.40 3fxm s THR 41 CO 0.03 0.11 0.11 0.00 -0.69 0.00 0.00 174.62 174.18 3fxm s ALA 42 N 0.72 0.29 -0.04 7.40 0.00 -1.26 -0.83 121.76 128.04 3fxm s ALA 42 Ca -0.07 -0.19 0.01 0.00 0.00 0.00 0.00 51.96 51.71 3fxm s ALA 42 Cb -0.10 -1.08 0.02 0.00 0.00 0.00 0.00 23.12 21.96 3fxm s ALA 42 CO -0.01 -1.17 -0.02 0.54 0.00 0.00 0.00 175.76 175.10 3fxm s VAL 43 N 2.18 0.32 -0.21 0.00 0.11 -0.30 -5.03 120.40 117.47 3fxm s VAL 43 Ca 0.03 0.01 -0.08 0.00 -2.93 0.00 0.00 61.98 59.01 3fxm s VAL 43 Cb -0.16 -0.40 -0.04 0.00 -1.53 0.00 0.00 36.38 34.25 3fxm s VAL 43 CO -0.10 0.18 0.09 -0.63 -3.33 0.00 0.00 175.10 171.32 3fxm s ILE 44 N 1.04 4.87 0.00 7.04 1.01 -1.26 -0.66 121.20 133.23 3fxm s ILE 44 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 60.65 60.56 3fxm s ILE 44 Cb -0.14 -3.23 0.00 0.00 0.01 0.00 0.00 42.46 39.10 3fxm s ILE 44 CO -0.01 0.41 0.00 0.61 0.00 0.00 0.00 174.94 175.95 3fxm n GLY 45 N 3.96 -2.56 3.61 6.18 0.00 0.53 -5.00 105.19 111.91 3fxm n GLY 45 Ca -0.16 -0.80 -0.29 0.00 0.00 0.00 0.00 46.02 44.77 3fxm n GLY 45 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fxm s LEU 46 N 0.00 3.15 1.15 0.99 1.43 0.19 -4.92 118.68 120.67 3fxm s LEU 46 Ca 0.00 -0.37 -0.17 0.00 -1.03 0.00 0.00 54.13 52.56 3fxm s LEU 46 Cb 0.00 -1.90 0.17 0.00 0.03 0.00 0.00 46.19 44.49 3fxm s LEU 46 CO 0.00 0.16 0.32 -0.81 0.23 0.00 0.00 176.35 176.25 3fxm n PRO 47 N 0.49 -1.95 -3.64 1.29 -0.04 -1.26 -2.35 135.00 127.54 3fxm n PRO 47 Ca -0.12 -0.55 -0.24 0.00 -0.04 0.00 0.00 63.50 62.54 3fxm n PRO 47 Cb 0.53 -1.84 0.07 0.00 -0.04 0.00 0.00 33.50 32.22 3fxm n PRO 47 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 3fxm n SER 48 N -2.75 -5.66 0.00 3.54 7.64 -1.26 -2.54 113.62 112.59 3fxm n SER 48 Ca 0.01 -0.59 0.00 0.00 1.01 0.00 0.00 58.87 59.30 3fxm n SER 48 Cb 0.60 -4.83 0.00 0.00 -1.01 0.00 0.00 64.21 58.97 3fxm n SER 48 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3fxm n GLY 49 N -1.88 0.75 2.21 0.23 0.00 -1.26 -4.94 105.19 100.29 3fxm n GLY 49 Ca -0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 3fxm n GLY 49 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3fxm n LEU 50 N 0.00 6.48 -0.34 0.99 4.77 -1.05 -4.74 117.00 123.10 3fxm n LEU 50 Ca 0.00 -4.51 0.12 0.00 -0.03 0.00 0.00 56.01 51.59 3fxm n LEU 50 Cb 0.00 -0.70 0.30 0.00 -2.33 0.00 0.00 43.42 40.69 3fxm n LEU 50 CO 0.00 1.76 1.17 -0.08 -1.33 0.00 0.00 177.39 178.91 3fxm h GLU 51 N 2.10 0.72 -0.48 3.23 4.81 -1.73 0.90 114.58 124.13 3fxm h GLU 51 Ca 0.50 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.69 3fxm h GLU 51 Cb 1.11 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 30.33 3fxm h GLU 51 CO 1.23 0.47 0.00 -1.13 -0.73 0.00 0.00 179.01 178.85 3fxm n SER 52 N -4.79 2.52 -4.94 1.04 3.41 -1.26 -3.78 113.62 105.82 3fxm n SER 52 Ca 0.22 -2.08 -0.26 0.00 -0.26 0.00 0.00 58.87 56.49 3fxm n SER 52 Cb 0.54 -0.34 -0.02 0.00 -0.26 0.00 0.00 64.21 64.13 3fxm n SER 52 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 3fxm s TRP 53 N -1.52 3.48 0.20 7.33 0.51 -0.51 -4.12 118.94 124.31 3fxm s TRP 53 Ca 0.29 0.31 0.03 0.00 -2.12 0.00 0.00 56.10 54.61 3fxm s TRP 53 Cb 0.16 -1.84 -0.05 0.00 -0.81 0.00 0.00 33.47 30.94 3fxm s TRP 53 CO 0.18 0.31 -0.03 -1.12 -0.51 0.00 0.00 176.95 175.78 3fxm s SER 54 N -3.50 1.69 -0.11 2.95 0.01 0.84 -0.35 113.70 115.22 3fxm s SER 54 Ca 0.38 -1.16 -0.05 0.00 1.31 0.00 0.00 55.95 56.44 3fxm s SER 54 Cb -0.10 0.03 0.05 0.00 0.21 0.00 0.00 66.02 66.20 3fxm s SER 54 CO 0.31 -0.48 0.24 0.12 0.41 0.00 0.00 173.24 173.84 3fxm s PHE 55 N -3.45 -0.33 0.04 2.43 5.36 0.16 -0.53 117.98 121.66 3fxm s PHE 55 Ca 0.25 0.80 0.05 0.00 -0.96 0.00 0.00 56.93 57.07 3fxm s PHE 55 Cb 0.05 0.01 -0.02 0.00 -0.34 0.00 0.00 43.02 42.72 3fxm s PHE 55 CO 0.06 -0.26 -0.14 -0.06 -1.46 0.00 0.00 175.22 173.36 3fxm s PHE 56 N 1.53 1.23 -0.27 10.12 0.40 -0.42 -1.15 117.98 129.42 3fxm s PHE 56 Ca -0.07 -0.35 -0.24 0.00 -0.60 0.00 0.00 56.93 55.67 3fxm s PHE 56 Cb -0.11 -0.73 0.08 0.00 0.51 0.00 0.00 43.02 42.77 3fxm s PHE 56 CO -0.08 0.03 0.76 0.00 0.70 0.00 0.00 175.22 176.63 3fxm s ALA 57 N -0.83 -1.82 -0.11 5.36 0.00 -0.01 -0.81 121.76 123.54 3fxm s ALA 57 Ca 0.02 2.05 -0.02 0.00 0.00 0.00 0.00 51.96 54.01 3fxm s ALA 57 Cb -0.08 -1.24 -0.03 0.00 0.00 0.00 0.00 23.12 21.77 3fxm s ALA 57 CO 0.01 -0.33 -0.04 0.08 0.00 0.00 0.00 175.76 175.49 3fxm s VAL 58 N 0.49 3.96 -0.18 0.00 1.01 0.89 -0.49 120.40 126.07 3fxm s VAL 58 Ca -0.01 -0.36 0.01 0.00 0.00 0.00 0.00 61.98 61.62 3fxm s VAL 58 Cb -0.05 -2.68 0.02 0.00 0.00 0.00 0.00 36.38 33.67 3fxm s VAL 58 CO -0.02 0.56 -0.19 -0.31 0.00 0.00 0.00 175.10 175.13 3fxm s TYR 59 N -0.35 2.77 -0.46 5.22 2.02 0.75 -1.43 117.35 125.87 3fxm s TYR 59 Ca 0.06 -1.66 -0.11 0.00 -0.37 0.00 0.00 57.07 54.99 3fxm s TYR 59 Cb -0.12 -1.91 0.10 0.00 -0.40 0.00 0.00 41.96 39.63 3fxm s TYR 59 CO 0.02 -0.81 0.33 0.34 -1.57 0.00 0.00 175.55 173.87 3fxm s ASP 60 N 1.29 5.80 0.21 2.29 2.15 -1.14 -0.06 116.67 127.22 3fxm s ASP 60 Ca 0.04 -1.64 -0.26 0.00 0.43 0.00 0.00 52.55 51.12 3fxm s ASP 60 Cb -0.13 -2.05 -0.09 0.00 -0.30 0.00 0.00 42.92 40.35 3fxm s ASP 60 CO -0.13 -0.64 0.84 -0.83 -0.17 0.00 0.00 175.17 174.25 3fxm s GLY 61 N 2.53 2.95 0.15 2.66 0.00 -0.40 -1.73 107.32 113.48 3fxm s GLY 61 Ca 0.04 0.45 0.07 0.00 0.00 0.00 0.00 44.72 45.27 3fxm s GLY 61 CO 0.02 0.96 -0.15 -1.58 0.00 0.00 0.00 173.10 172.35 3fxm s HIS 62 N -1.24 1.54 -1.38 1.90 5.04 0.12 -4.71 115.29 116.55 3fxm s HIS 62 Ca 0.40 -0.56 -0.04 0.00 -1.54 0.00 0.00 55.06 53.31 3fxm s HIS 62 Cb -0.23 -0.77 0.03 0.00 0.04 0.00 0.00 32.58 31.64 3fxm s HIS 62 CO 0.27 0.22 0.77 0.00 -2.34 0.00 0.00 174.74 173.66 3fxm n ALA 63 N 0.23 -1.79 0.00 1.58 0.00 -1.26 -0.77 120.51 118.50 3fxm n ALA 63 Ca -0.13 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.25 3fxm n ALA 63 Cb 0.58 -2.69 0.00 0.00 0.00 0.00 0.00 19.45 17.34 3fxm n ALA 63 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fxm n GLY 64 N -1.64 1.62 0.40 0.00 0.00 -1.26 -3.63 105.19 100.68 3fxm n GLY 64 Ca -0.20 -2.04 0.05 0.00 0.00 0.00 0.00 46.02 43.83 3fxm n GLY 64 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3fxm n SER 65 N 0.00 1.78 -0.11 1.61 3.41 -1.26 -4.64 113.62 114.41 3fxm n SER 65 Ca 0.00 -1.39 -0.06 0.00 -0.26 0.00 0.00 58.87 57.17 3fxm n SER 65 Cb 0.00 0.08 0.01 0.00 -0.26 0.00 0.00 64.21 64.04 3fxm n SER 65 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 3fxm h GLN 66 N 1.94 -0.12 -0.39 4.33 7.50 -1.94 0.14 115.11 126.58 3fxm h GLN 66 Ca 0.00 0.01 -0.10 0.00 0.50 0.00 0.00 58.65 59.06 3fxm h GLN 66 Cb 0.43 0.03 -0.01 0.00 0.05 0.00 0.00 27.48 27.98 3fxm h GLN 66 CO 0.00 -0.08 -0.14 0.28 -1.50 0.00 0.00 178.83 177.39 3fxm h VAL 67 N -0.12 1.28 -0.10 -0.54 2.07 -1.88 -1.81 116.25 115.15 3fxm h VAL 67 Ca 0.19 -1.26 0.00 0.00 0.82 0.00 0.00 66.70 66.46 3fxm h VAL 67 Cb 0.42 1.28 -0.01 0.00 -1.52 0.00 0.00 31.29 31.46 3fxm h VAL 67 CO -0.47 0.42 0.06 0.00 0.02 0.00 0.00 177.57 177.60 3fxm h ALA 68 N 0.82 0.12 -0.77 1.67 0.00 -1.69 -1.68 119.26 117.72 3fxm h ALA 68 Ca 0.09 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 3fxm h ALA 68 Cb 0.68 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 3fxm h ALA 68 CO 0.05 -0.40 0.27 0.87 0.00 0.00 0.00 179.25 180.04 3fxm h LYS 69 N 0.12 1.18 -0.51 0.00 1.57 -0.73 -1.21 116.57 116.99 3fxm h LYS 69 Ca 0.04 -0.24 -0.09 0.00 -1.87 0.00 0.00 60.65 58.49 3fxm h LYS 69 Cb -0.01 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.10 3fxm h LYS 69 CO -0.01 0.98 -0.05 -0.92 -0.57 0.00 0.00 179.45 178.88 3fxm h TYR 70 N 1.14 0.99 -0.43 -1.35 3.20 -1.07 -2.70 116.97 116.76 3fxm h TYR 70 Ca 0.25 -0.17 -0.02 0.00 3.14 0.00 0.00 58.73 61.93 3fxm h TYR 70 Cb 0.27 -0.26 -0.02 0.00 1.54 0.00 0.00 36.73 38.27 3fxm h TYR 70 CO 0.02 0.92 0.17 0.00 -1.64 0.00 0.00 178.16 177.63 3fxm n GLU 73 N -3.49 0.52 0.00 0.00 1.02 -1.03 -4.68 120.64 112.97 3fxm n GLU 73 Ca -0.01 -0.09 0.00 0.00 -0.02 0.00 0.00 57.16 57.03 3fxm n GLU 73 Cb 0.26 -1.58 0.00 0.00 -0.02 0.00 0.00 31.44 30.09 3fxm n GLU 73 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 3fxm n HIS 74 N -2.20 0.00 -0.21 -0.32 8.25 -0.41 -4.80 115.22 115.53 3fxm n HIS 74 Ca -0.02 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.35 3fxm n HIS 74 Cb 0.52 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.65 3fxm n HIS 74 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 3fxm h LEU 75 N 0.00 1.06 -0.31 2.41 5.85 -0.77 -2.81 115.31 120.75 3fxm h LEU 75 Ca 0.00 -0.31 0.00 0.00 0.84 0.00 0.00 57.88 58.41 3fxm h LEU 75 Cb 0.26 -0.29 -0.02 0.00 0.37 0.00 0.00 40.66 40.98 3fxm h LEU 75 CO 0.00 1.12 0.20 0.25 -0.34 0.00 0.00 178.44 179.67 3fxm h LEU 76 N 0.98 0.34 -0.43 2.25 6.46 -1.87 -1.54 115.31 121.51 3fxm h LEU 76 Ca 0.17 -0.01 -0.13 0.00 -0.12 0.00 0.00 57.88 57.80 3fxm h LEU 76 Cb 0.58 -0.08 -0.02 0.00 -0.73 0.00 0.00 40.66 40.41 3fxm h LEU 76 CO 0.03 0.25 -0.60 -2.24 -0.62 0.00 0.00 178.44 175.26 3fxm h ASP 77 N 0.41 0.00 0.16 1.25 3.04 -1.88 -0.82 116.42 118.58 3fxm h ASP 77 Ca 0.11 0.00 -0.02 0.00 -3.24 0.00 0.00 57.03 53.88 3fxm h ASP 77 Cb -0.04 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 38.24 3fxm h ASP 77 CO -0.03 0.60 -0.12 0.45 -2.04 0.00 0.00 179.24 178.11 3fxm h HIS 78 N 0.00 0.00 0.21 4.15 3.86 -1.27 -0.19 115.15 121.91 3fxm h HIS 78 Ca -0.01 0.00 -0.31 0.00 -1.16 0.00 0.00 60.37 58.89 3fxm h HIS 78 Cb 1.28 0.00 0.03 0.00 1.06 0.00 0.00 27.41 29.77 3fxm h HIS 78 CO 0.00 0.12 -1.45 0.82 0.86 0.00 0.00 177.93 178.28 3fxm h ILE 79 N 0.00 1.20 0.00 2.45 2.04 -0.52 -3.34 117.51 119.35 3fxm h ILE 79 Ca -0.00 -2.60 -0.06 0.00 1.00 0.00 0.00 64.86 63.20 3fxm h ILE 79 Cb 0.23 2.97 -0.01 0.00 -0.74 0.00 0.00 36.82 39.26 3fxm h ILE 79 CO 0.01 0.80 -1.35 0.35 0.00 0.00 0.00 178.15 177.97 3fxm n THR 80 N -3.77 0.70 -2.84 -0.27 -2.24 -0.38 -4.40 114.28 101.07 3fxm n THR 80 Ca -0.19 -0.59 -0.36 0.00 -2.27 0.00 0.00 64.05 60.64 3fxm n THR 80 Cb 1.04 -0.39 -0.01 0.00 -2.10 0.00 0.00 70.33 68.87 3fxm n THR 80 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3fxm n ASN 81 N -2.66 6.05 -3.95 3.42 3.02 -0.09 -4.43 115.26 116.62 3fxm n ASN 81 Ca -0.05 -3.64 -0.10 0.00 -0.03 0.00 0.00 54.58 50.76 3fxm n ASN 81 Cb 0.66 -0.94 -0.10 0.00 -0.61 0.00 0.00 39.78 38.78 3fxm n ASN 81 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3fxm s ASN 82 N -2.19 0.18 0.57 6.41 2.20 -1.26 -4.83 114.94 116.02 3fxm s ASN 82 Ca 0.42 -0.46 0.29 0.00 -0.94 0.00 0.00 52.86 52.17 3fxm s ASN 82 Cb 0.20 0.16 1.70 0.00 -2.00 0.00 0.00 41.25 41.32 3fxm s ASN 82 CO -0.10 -0.38 2.20 0.06 -2.94 0.00 0.00 177.10 175.94 3fxm h GLN 83 N 4.24 0.00 -0.48 3.55 3.07 -1.96 -1.97 115.11 121.55 3fxm h GLN 83 Ca -0.32 0.00 -0.06 0.00 0.09 0.00 0.00 58.65 58.37 3fxm h GLN 83 Cb 1.20 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.74 3fxm h GLN 83 CO 0.44 0.04 0.09 -0.44 0.09 0.00 0.00 178.83 179.05 3fxm h ASP 84 N 0.00 0.76 -0.10 0.06 3.32 -1.93 0.66 116.42 119.20 3fxm h ASP 84 Ca -0.00 -0.25 -0.06 0.00 0.02 0.00 0.00 57.03 56.74 3fxm h ASP 84 Cb 0.10 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.45 3fxm h ASP 84 CO 0.01 0.82 -0.16 0.15 -1.72 0.00 0.00 179.24 178.33 3fxm h PHE 85 N 0.67 0.35 0.19 4.55 3.04 -1.48 -3.37 116.94 120.90 3fxm h PHE 85 Ca 0.15 -0.12 -0.01 0.00 3.98 0.00 0.00 57.97 61.97 3fxm h PHE 85 Cb 0.38 -0.07 0.00 0.00 2.56 0.00 0.00 35.95 38.82 3fxm h PHE 85 CO 0.03 0.76 -0.09 0.87 -2.02 0.00 0.00 178.31 177.86 3fxm h LYS 86 N -0.16 -0.25 0.00 1.11 1.57 -1.56 -3.43 116.57 113.86 3fxm h LYS 86 Ca 0.01 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 3fxm h LYS 86 Cb 0.73 0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.10 3fxm h LYS 86 CO 0.04 -0.16 0.00 0.41 -0.57 0.00 0.00 179.45 179.16 3fxm n GLY 87 N 0.34 0.70 3.75 3.86 0.00 0.23 -4.69 105.19 109.38 3fxm n GLY 87 Ca -0.03 0.77 -0.41 0.00 0.00 0.00 0.00 46.02 46.35 3fxm n GLY 87 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3fxm s SER 88 N -4.00 6.85 0.22 1.61 1.04 -1.26 -4.92 113.70 113.25 3fxm s SER 88 Ca 0.00 2.52 0.05 0.00 0.48 0.00 0.00 55.95 58.99 3fxm s SER 88 Cb 0.00 -2.62 0.64 0.00 0.10 0.00 0.00 66.02 64.13 3fxm s SER 88 CO 0.00 -0.52 1.08 0.00 0.98 0.00 0.00 173.24 174.78 3fxm n ALA 89 N 1.93 0.45 -1.77 5.32 0.00 -1.26 -4.62 120.51 120.56 3fxm n ALA 89 Ca 0.04 0.73 0.00 0.00 0.00 0.00 0.00 53.44 54.21 3fxm n ALA 89 Cb 0.42 -0.58 0.00 0.00 0.00 0.00 0.00 19.45 19.29 3fxm n ALA 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fxm n GLY 90 N -1.30 1.65 3.65 0.00 0.00 -1.26 -5.05 105.19 102.87 3fxm n GLY 90 Ca 0.19 -1.82 -0.40 0.00 0.00 0.00 0.00 46.02 43.99 3fxm n GLY 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fxm n ALA 91 N -3.00 0.61 -2.43 4.61 0.00 -1.26 -4.93 120.51 114.11 3fxm n ALA 91 Ca 0.00 0.19 -0.42 0.00 0.00 0.00 0.00 53.44 53.21 3fxm n ALA 91 Cb 0.00 -2.16 -0.03 0.00 0.00 0.00 0.00 19.45 17.26 3fxm n ALA 91 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3fxm s PRO 92 N -2.27 4.45 0.89 0.00 0.04 -1.26 -4.99 135.00 131.86 3fxm s PRO 92 Ca 0.65 1.74 -0.13 0.00 0.04 0.00 0.00 61.00 63.30 3fxm s PRO 92 Cb -0.51 -3.35 0.13 0.00 0.04 0.00 0.00 34.50 30.81 3fxm s PRO 92 CO 0.55 -0.22 1.19 -1.54 0.04 0.00 0.00 177.00 177.02 3fxm s SER 93 N 0.99 3.74 0.17 6.66 1.04 -1.26 -4.78 113.70 120.26 3fxm s SER 93 Ca 0.58 0.73 -0.18 0.00 0.48 0.00 0.00 55.95 57.55 3fxm s SER 93 Cb -0.29 -1.14 0.11 0.00 0.10 0.00 0.00 66.02 64.80 3fxm s SER 93 CO 0.29 -2.38 1.64 0.58 0.98 0.00 0.00 173.24 174.36 3fxm h VAL 94 N -1.39 0.46 -0.41 5.02 2.07 -1.99 0.04 116.25 120.05 3fxm h VAL 94 Ca -0.47 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.04 3fxm h VAL 94 Cb 1.31 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 31.52 3fxm h VAL 94 CO 0.58 0.00 0.24 -0.33 0.02 0.00 0.00 177.57 178.07 3fxm h GLU 95 N -0.08 0.56 -0.16 1.57 3.07 -1.98 0.07 114.58 117.63 3fxm h GLU 95 Ca 0.20 -0.06 0.05 0.00 -0.50 0.00 0.00 59.36 59.05 3fxm h GLU 95 Cb 0.40 -0.11 -0.05 0.00 -0.84 0.00 0.00 28.75 28.14 3fxm h GLU 95 CO -0.47 0.44 -0.16 -0.91 -1.40 0.00 0.00 179.01 176.51 3fxm h ASN 96 N 0.53 -0.50 0.07 1.42 -0.26 -1.61 0.35 115.58 115.59 3fxm h ASN 96 Ca 0.15 0.09 0.00 0.00 -0.56 0.00 0.00 56.30 55.98 3fxm h ASN 96 Cb 0.03 0.24 -0.01 0.00 -1.06 0.00 0.00 38.32 37.52 3fxm h ASN 96 CO -0.03 -0.20 -0.07 0.58 -1.06 0.00 0.00 177.43 176.65 3fxm h VAL 97 N -0.18 0.83 -0.38 2.81 2.07 -0.81 0.19 116.25 120.77 3fxm h VAL 97 Ca 0.10 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.61 3fxm h VAL 97 Cb 0.34 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 3fxm h VAL 97 CO -0.27 0.00 0.17 0.11 0.02 0.00 0.00 177.57 177.61 3fxm h LYS 98 N -0.16 0.56 -0.23 1.57 1.57 -0.55 -2.00 116.57 117.33 3fxm h LYS 98 Ca 0.01 -0.09 -0.17 0.00 -1.87 0.00 0.00 60.65 58.53 3fxm h LYS 98 Cb 0.16 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.37 3fxm h LYS 98 CO -0.02 0.51 -0.55 -0.91 -0.57 0.00 0.00 179.45 177.91 3fxm h ASN 99 N 0.47 0.76 -0.89 0.86 -0.26 -0.29 -3.03 115.58 113.21 3fxm h ASN 99 Ca 0.13 -0.41 0.09 0.00 -0.56 0.00 0.00 56.30 55.55 3fxm h ASN 99 Cb 0.14 -0.22 -0.07 0.00 -1.06 0.00 0.00 38.32 37.11 3fxm h ASN 99 CO -0.01 1.16 0.54 1.23 -1.06 0.00 0.00 177.43 179.28 3fxm h GLY 100 N 0.91 1.39 0.92 2.83 0.00 -0.45 -1.39 103.07 107.29 3fxm h GLY 100 Ca 0.01 -0.37 -0.06 0.00 0.00 0.00 0.00 47.33 46.91 3fxm h GLY 100 CO 0.11 0.18 -0.04 -2.22 0.00 0.00 0.00 176.54 174.57 3fxm h ILE 101 N 0.90 1.27 0.10 2.60 2.04 -1.36 -0.46 117.51 122.60 3fxm h ILE 101 Ca 0.42 -1.05 0.02 0.00 1.00 0.00 0.00 64.86 65.25 3fxm h ILE 101 Cb 0.35 1.26 -0.04 0.00 -0.74 0.00 0.00 36.82 37.65 3fxm h ILE 101 CO -0.23 0.34 -0.31 -0.09 0.00 0.00 0.00 178.15 177.87 3fxm h ARG 102 N 0.43 -0.50 -0.54 2.37 2.43 -1.33 0.18 114.38 117.42 3fxm h ARG 102 Ca 0.09 0.03 0.06 0.00 -0.81 0.00 0.00 59.98 59.36 3fxm h ARG 102 Cb 0.51 0.11 -0.05 0.00 -0.42 0.00 0.00 29.97 30.12 3fxm h ARG 102 CO 0.02 -0.33 0.24 1.15 -1.51 0.00 0.00 179.97 179.54 3fxm h THR 103 N -0.52 0.88 -0.17 0.20 2.02 -1.26 -0.03 112.91 114.04 3fxm h THR 103 Ca 0.04 -0.16 0.04 0.00 0.77 0.00 0.00 66.41 67.10 3fxm h THR 103 Cb 0.55 0.38 -0.05 0.00 -1.74 0.00 0.00 68.15 67.30 3fxm h THR 103 CO -0.19 0.08 -0.12 1.23 0.37 0.00 0.00 175.52 176.90 3fxm h GLY 104 N 0.46 0.02 0.89 2.16 0.00 -0.63 0.44 103.07 106.40 3fxm h GLY 104 Ca 0.25 0.14 0.01 0.00 0.00 0.00 0.00 47.33 47.74 3fxm h GLY 104 CO -0.22 -0.13 0.03 0.74 0.00 0.00 0.00 176.54 176.96 3fxm h PHE 105 N -0.12 0.04 -0.30 5.60 -1.00 -0.08 -1.78 116.94 119.31 3fxm h PHE 105 Ca 0.10 0.01 -0.06 0.00 2.81 0.00 0.00 57.97 60.82 3fxm h PHE 105 Cb 0.27 -0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.81 3fxm h PHE 105 CO -0.26 0.02 -0.05 -0.07 -1.61 0.00 0.00 178.31 176.34 3fxm h LEU 106 N 0.07 0.57 -0.59 1.54 3.38 -0.66 -2.81 115.31 116.83 3fxm h LEU 106 Ca 0.05 -0.35 -0.09 0.00 0.09 0.00 0.00 57.88 57.57 3fxm h LEU 106 Cb 0.04 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 3fxm h LEU 106 CO -0.06 0.79 0.00 -0.33 0.09 0.00 0.00 178.44 178.93 3fxm h GLU 107 N 0.35 1.03 -0.23 1.13 5.08 -0.10 -2.04 114.58 119.80 3fxm h GLU 107 Ca 0.08 -0.33 -0.08 0.00 -1.00 0.00 0.00 59.36 58.03 3fxm h GLU 107 Cb 0.53 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 3fxm h GLU 107 CO 0.03 1.02 -0.20 0.97 -1.00 0.00 0.00 179.01 179.83 3fxm h ILE 108 N 0.93 1.24 0.24 3.13 2.10 -1.38 -0.20 117.51 123.55 3fxm h ILE 108 Ca 0.17 -1.11 -0.01 0.00 1.08 0.00 0.00 64.86 64.98 3fxm h ILE 108 Cb 0.55 1.29 0.00 0.00 -1.09 0.00 0.00 36.82 37.57 3fxm h ILE 108 CO 0.03 0.35 -0.11 -0.78 -1.08 0.00 0.00 178.15 176.56 3fxm h ASP 109 N 0.37 -0.27 -0.73 2.19 3.58 -1.26 -1.07 116.42 119.24 3fxm h ASP 109 Ca 0.06 -0.06 -0.02 0.00 0.42 0.00 0.00 57.03 57.43 3fxm h ASP 109 Cb 0.56 0.07 -0.03 0.00 1.72 0.00 0.00 39.33 41.65 3fxm h ASP 109 CO 0.04 -0.12 0.36 -0.08 -2.88 0.00 0.00 179.24 176.56 3fxm h GLU 110 N -0.40 1.04 -0.48 0.28 4.81 -1.29 -1.55 114.58 116.98 3fxm h GLU 110 Ca -0.03 -0.15 0.10 0.00 -0.13 0.00 0.00 59.36 59.15 3fxm h GLU 110 Cb 0.31 -0.19 -0.09 0.00 0.63 0.00 0.00 28.75 29.40 3fxm h GLU 110 CO 0.05 0.81 -0.12 1.25 -0.73 0.00 0.00 179.01 180.27 3fxm h HIS 111 N 1.02 -0.26 0.00 0.92 2.76 -0.94 -0.58 115.15 118.06 3fxm h HIS 111 Ca 0.25 0.04 -0.07 0.00 -2.20 0.00 0.00 60.37 58.39 3fxm h HIS 111 Cb 0.10 0.19 -0.01 0.00 1.55 0.00 0.00 27.41 29.24 3fxm h HIS 111 CO 0.01 -0.21 -0.35 0.52 -1.30 0.00 0.00 177.93 176.60 3fxm h MET 112 N -0.00 0.00 -0.12 5.26 2.86 -0.73 -1.49 114.93 120.70 3fxm h MET 112 Ca 0.23 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.76 3fxm h MET 112 Cb 0.36 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.02 3fxm h MET 112 CO -0.50 0.35 -0.36 -0.09 1.06 0.00 0.00 176.91 177.37 3fxm h ARG 113 N 0.00 0.45 -0.46 1.72 2.43 -0.47 -2.16 114.38 115.90 3fxm h ARG 113 Ca -0.00 -0.33 -0.07 0.00 -0.81 0.00 0.00 59.98 58.77 3fxm h ARG 113 Cb 0.81 0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.40 3fxm h ARG 113 CO 0.05 0.95 0.03 -0.39 -1.51 0.00 0.00 179.97 179.09 3fxm h VAL 114 N 0.04 1.26 -0.54 0.20 -1.51 -0.94 -1.30 116.25 113.46 3fxm h VAL 114 Ca -0.01 -1.00 0.09 0.00 -1.23 0.00 0.00 66.70 64.55 3fxm h VAL 114 Cb 0.98 1.01 -0.07 0.00 -2.13 0.00 0.00 31.29 31.08 3fxm h VAL 114 CO 0.08 0.35 0.16 0.24 -1.23 0.00 0.00 177.57 177.16 3fxm h MET 115 N 0.64 0.31 -0.43 5.19 2.86 -1.30 0.23 114.93 122.43 3fxm h MET 115 Ca 0.13 -0.02 -0.07 0.00 -2.06 0.00 0.00 59.70 57.68 3fxm h MET 115 Cb 0.46 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.03 3fxm h MET 115 CO 0.02 0.21 -0.02 1.03 1.06 0.00 0.00 176.91 179.21 3fxm h SER 116 N 0.32 0.76 -0.10 1.22 0.87 -1.30 -0.94 113.55 114.38 3fxm h SER 116 Ca 0.27 -0.32 0.00 0.00 -1.23 0.00 0.00 61.79 60.51 3fxm h SER 116 Cb 0.34 -0.20 -0.00 0.00 -0.44 0.00 0.00 62.40 62.09 3fxm h SER 116 CO -0.30 0.90 0.06 -0.08 -0.53 0.00 0.00 176.83 176.87 3fxm h GLU 117 N 0.61 0.13 0.15 2.24 4.81 -0.67 -0.30 114.58 121.54 3fxm h GLU 117 Ca 0.12 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.33 3fxm h GLU 117 Cb 0.52 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.87 3fxm h GLU 117 CO 0.03 0.10 -0.07 -0.22 -0.73 0.00 0.00 179.01 178.11 3fxm h LYS 118 N 0.12 -0.19 -0.01 1.92 1.63 -0.50 -3.16 116.57 116.38 3fxm h LYS 118 Ca 0.04 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.85 3fxm h LYS 118 Cb -0.00 0.04 0.00 0.00 -0.60 0.00 0.00 32.23 31.67 3fxm h LYS 118 CO -0.01 -0.07 -0.01 1.63 -3.45 0.00 0.00 179.45 177.54 3fxm n LYS 119 N -5.15 1.43 -3.08 1.90 5.02 -0.36 -4.95 118.16 112.97 3fxm n LYS 119 Ca -0.09 -0.66 -0.13 0.00 -2.02 0.00 0.00 58.31 55.41 3fxm n LYS 119 Cb 0.13 -1.49 0.06 0.00 -0.02 0.00 0.00 35.03 33.72 3fxm n LYS 119 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 3fxm n HIS 120 N -0.21 -1.67 -2.02 2.13 8.25 -0.46 -4.96 115.22 116.29 3fxm n HIS 120 Ca 0.20 0.69 -0.41 0.00 -0.26 0.00 0.00 57.72 57.94 3fxm n HIS 120 Cb 0.28 -4.17 -0.02 0.00 1.12 0.00 0.00 29.99 27.20 3fxm n HIS 120 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 3fxm s GLY 121 N -3.85 2.56 0.01 -1.41 0.00 -0.25 -4.95 107.32 99.43 3fxm s GLY 121 Ca 0.08 1.33 0.17 0.00 0.00 0.00 0.00 44.72 46.30 3fxm s GLY 121 CO 0.53 2.18 0.68 0.00 0.00 0.00 0.00 173.10 176.48 3fxm n ALA 122 N 1.73 1.90 -1.76 3.20 0.00 -1.26 -4.92 120.51 119.40 3fxm n ALA 122 Ca 0.04 -0.67 -0.39 0.00 0.00 0.00 0.00 53.44 52.43 3fxm n ALA 122 Cb 0.41 -0.83 0.00 0.00 0.00 0.00 0.00 19.45 19.03 3fxm n ALA 122 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 3fxm s ASP 123 N -5.67 6.06 -0.37 0.00 -4.77 -1.26 -4.94 116.67 105.72 3fxm s ASP 123 Ca -0.04 2.59 0.06 0.00 -3.30 0.00 0.00 52.55 51.85 3fxm s ASP 123 Cb 0.09 -2.63 0.44 0.00 -1.09 0.00 0.00 42.92 39.73 3fxm s ASP 123 CO 0.82 -1.02 1.15 0.54 0.70 0.00 0.00 175.17 177.36 3fxm n ARG 124 N -0.27 3.48 -2.15 2.11 3.00 -1.26 -5.08 116.66 116.49 3fxm n ARG 124 Ca 0.06 -4.33 -0.26 0.00 -0.01 0.00 0.00 57.85 53.31 3fxm n ARG 124 Cb 0.45 -2.25 0.08 0.00 0.00 0.00 0.00 32.46 30.74 3fxm n ARG 124 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 3fxm s SER 125 N -3.57 4.67 0.24 0.55 1.04 -1.24 -4.69 113.70 110.71 3fxm s SER 125 Ca 0.49 0.48 -0.14 0.00 0.48 0.00 0.00 55.95 57.26 3fxm s SER 125 Cb 0.40 -1.07 0.00 0.00 0.10 0.00 0.00 66.02 65.46 3fxm s SER 125 CO -0.08 -1.71 0.50 -0.83 0.98 0.00 0.00 173.24 172.10 3fxm s GLY 126 N -4.55 0.41 -0.11 7.32 0.00 0.05 -0.85 107.32 109.59 3fxm s GLY 126 Ca 0.61 -0.76 -0.20 0.00 0.00 0.00 0.00 44.72 44.36 3fxm s GLY 126 CO 0.46 -0.54 0.51 -0.45 0.00 0.00 0.00 173.10 173.07 3fxm s SER 127 N -2.99 -0.48 0.55 1.64 0.15 0.11 0.11 113.70 112.79 3fxm s SER 127 Ca 0.20 0.72 -0.13 0.00 0.70 0.00 0.00 55.95 57.44 3fxm s SER 127 Cb -0.01 0.74 -0.06 0.00 -1.71 0.00 0.00 66.02 64.98 3fxm s SER 127 CO 0.08 -0.36 0.98 0.42 1.20 0.00 0.00 173.24 175.56 3fxm s THR 128 N -0.50 4.66 -0.01 6.45 -4.23 -0.71 -0.48 115.64 120.82 3fxm s THR 128 Ca -0.06 0.95 0.02 0.00 -1.18 0.00 0.00 61.69 61.42 3fxm s THR 128 Cb -0.03 -3.80 -0.00 0.00 1.34 0.00 0.00 72.50 70.00 3fxm s THR 128 CO 0.04 -0.90 -0.07 0.00 -0.54 0.00 0.00 174.62 173.15 3fxm s ALA 129 N -2.87 0.56 -0.01 3.99 0.00 -0.24 -2.87 121.76 120.32 3fxm s ALA 129 Ca 0.56 -0.28 -0.03 0.00 0.00 0.00 0.00 51.96 52.21 3fxm s ALA 129 Cb -0.10 -0.16 -0.00 0.00 0.00 0.00 0.00 23.12 22.86 3fxm s ALA 129 CO 0.43 0.13 0.07 0.54 0.00 0.00 0.00 175.76 176.93 3fxm s VAL 130 N -0.11 0.05 -0.02 0.00 0.11 -0.52 -0.74 120.40 119.17 3fxm s VAL 130 Ca 0.02 -0.40 -0.14 0.00 -2.93 0.00 0.00 61.98 58.53 3fxm s VAL 130 Cb -0.03 -0.24 0.05 0.00 -1.53 0.00 0.00 36.38 34.62 3fxm s VAL 130 CO -0.00 -0.22 0.62 0.61 -3.33 0.00 0.00 175.10 172.78 3fxm n GLY 131 N 2.27 0.37 3.01 6.54 0.00 -0.41 -0.08 105.19 116.89 3fxm n GLY 131 Ca -0.18 -0.92 -0.15 0.00 0.00 0.00 0.00 46.02 44.77 3fxm n GLY 131 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3fxm s VAL 132 N -2.06 0.51 -0.30 1.61 -7.23 0.01 -0.52 120.40 112.42 3fxm s VAL 132 Ca 0.15 -0.58 -0.07 0.00 -1.81 0.00 0.00 61.98 59.67 3fxm s VAL 132 Cb -0.00 -0.49 0.01 0.00 0.56 0.00 0.00 36.38 36.46 3fxm s VAL 132 CO -0.01 -0.06 0.09 -0.22 -0.31 0.00 0.00 175.10 174.59 3fxm s LEU 133 N -0.70 3.93 -0.25 1.32 0.20 -0.33 -1.30 118.68 121.55 3fxm s LEU 133 Ca -0.02 -0.77 -0.08 0.00 0.69 0.00 0.00 54.13 53.94 3fxm s LEU 133 Cb -0.05 -1.88 -0.04 0.00 -0.43 0.00 0.00 46.19 43.79 3fxm s LEU 133 CO 0.00 -0.21 0.10 -0.63 -0.29 0.00 0.00 176.35 175.32 3fxm s ILE 134 N 1.49 4.61 0.46 6.68 1.01 0.31 -0.65 121.20 135.11 3fxm s ILE 134 Ca 0.02 -0.07 0.08 0.00 0.00 0.00 0.00 60.65 60.68 3fxm s ILE 134 Cb -0.18 -3.16 0.02 0.00 0.01 0.00 0.00 42.46 39.15 3fxm s ILE 134 CO 0.03 0.33 0.55 -0.94 0.00 0.00 0.00 174.94 174.90 3fxm s SER 135 N 1.55 5.26 0.58 3.58 1.04 0.87 -0.12 113.70 126.46 3fxm s SER 135 Ca 0.06 -0.69 0.28 0.00 0.48 0.00 0.00 55.95 56.08 3fxm s SER 135 Cb -0.15 -0.32 1.57 0.00 0.10 0.00 0.00 66.02 67.22 3fxm s SER 135 CO 0.05 -0.89 2.05 -0.65 0.98 0.00 0.00 173.24 174.78 3fxm h PRO 136 N 0.66 0.00 0.00 4.02 0.11 -2.00 -3.26 132.00 131.53 3fxm h PRO 136 Ca -0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.73 3fxm h PRO 136 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 3fxm h PRO 136 CO 0.49 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 179.32 3fxm n GLN 137 N -3.89 -0.11 -4.05 1.05 6.02 -1.26 -4.94 117.38 110.21 3fxm n GLN 137 Ca 0.04 -0.40 -0.14 0.00 -0.01 0.00 0.00 57.00 56.49 3fxm n GLN 137 Cb 0.43 -0.75 -0.14 0.00 1.02 0.00 0.00 30.24 30.80 3fxm n GLN 137 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.06 175.04 3fxm s HIS 138 N -0.10 0.33 -0.29 1.08 3.76 -1.23 -0.40 115.29 118.43 3fxm s HIS 138 Ca 0.00 -0.13 -0.09 0.00 -0.15 0.00 0.00 55.06 54.69 3fxm s HIS 138 Cb 0.00 -0.21 -0.02 0.00 1.11 0.00 0.00 32.58 33.46 3fxm s HIS 138 CO 0.00 -0.02 0.14 0.99 -0.85 0.00 0.00 174.74 175.00 3fxm s THR 139 N -0.28 4.65 -0.38 1.30 2.01 -0.18 -0.09 115.64 122.66 3fxm s THR 139 Ca -0.01 -0.29 -0.14 0.00 0.31 0.00 0.00 61.69 61.56 3fxm s THR 139 Cb -0.03 -3.31 0.01 0.00 0.01 0.00 0.00 72.50 69.18 3fxm s THR 139 CO -0.00 0.15 0.29 -0.31 -0.69 0.00 0.00 174.62 174.05 3fxm s TYR 140 N 1.64 3.23 0.22 4.92 2.02 0.17 -0.99 117.35 128.56 3fxm s TYR 140 Ca 0.05 -0.42 -0.29 0.00 -0.37 0.00 0.00 57.07 56.04 3fxm s TYR 140 Cb -0.17 -2.57 -0.09 0.00 -0.40 0.00 0.00 41.96 38.74 3fxm s TYR 140 CO 0.06 -0.51 0.91 -0.06 -1.57 0.00 0.00 175.55 174.38 3fxm s PHE 141 N 1.73 3.96 -0.06 2.71 0.40 0.53 -1.19 117.98 126.07 3fxm s PHE 141 Ca 0.06 1.85 0.02 0.00 -0.60 0.00 0.00 56.93 58.26 3fxm s PHE 141 Cb -0.18 -2.94 0.02 0.00 0.51 0.00 0.00 43.02 40.42 3fxm s PHE 141 CO 0.10 0.46 -0.10 0.42 0.70 0.00 0.00 175.22 176.80 3fxm s ILE 142 N -1.11 1.00 -0.02 0.64 1.01 0.33 -1.30 121.20 121.75 3fxm s ILE 142 Ca 0.40 -0.40 -0.01 0.00 0.00 0.00 0.00 60.65 60.65 3fxm s ILE 142 Cb -0.25 -0.94 0.01 0.00 0.01 0.00 0.00 42.46 41.29 3fxm s ILE 142 CO 0.31 0.33 0.04 0.21 0.00 0.00 0.00 174.94 175.82 3fxm s ASN 143 N 0.75 -0.02 -0.37 3.58 3.84 -0.59 -1.29 114.94 120.84 3fxm s ASN 143 Ca -0.13 0.07 0.04 0.00 0.21 0.00 0.00 52.86 53.04 3fxm s ASN 143 Cb -0.15 0.05 0.16 0.00 -0.55 0.00 0.00 41.25 40.75 3fxm s ASN 143 CO 0.03 -0.03 0.41 0.00 -2.79 0.00 0.00 177.10 174.71 3fxm n GLY 145 N 4.39 0.58 0.68 0.00 0.00 -1.23 -1.08 105.19 108.52 3fxm n GLY 145 Ca 0.10 -2.08 0.08 0.00 0.00 0.00 0.00 46.02 44.12 3fxm n GLY 145 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3fxm n ASP 146 N 0.00 3.39 -4.81 1.61 3.85 -1.26 -1.89 116.55 117.44 3fxm n ASP 146 Ca 0.00 -2.82 -0.30 0.00 -0.71 0.00 0.00 54.79 50.96 3fxm n ASP 146 Cb 0.00 -0.45 0.09 0.00 -1.35 0.00 0.00 41.12 39.41 3fxm n ASP 146 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.20 175.75 3fxm s SER 147 N -1.90 4.41 -0.11 -1.12 0.01 -1.26 -3.88 113.70 109.85 3fxm s SER 147 Ca 0.36 1.21 -0.15 0.00 1.31 0.00 0.00 55.95 58.68 3fxm s SER 147 Cb 0.28 -1.92 0.04 0.00 0.21 0.00 0.00 66.02 64.63 3fxm s SER 147 CO 0.09 -2.01 0.38 -0.60 0.41 0.00 0.00 173.24 171.51 3fxm s ARG 148 N -5.21 0.53 0.19 12.44 3.52 -0.58 -4.76 118.95 125.07 3fxm s ARG 148 Ca 0.61 0.36 0.10 0.00 -0.13 0.00 0.00 55.73 56.67 3fxm s ARG 148 Cb -0.14 0.25 -0.04 0.00 -1.56 0.00 0.00 34.95 33.46 3fxm s ARG 148 CO 0.54 -0.10 -0.21 0.20 -0.81 0.00 0.00 175.30 174.93 3fxm s GLY 149 N -0.21 1.57 0.06 8.12 0.00 -1.26 -1.70 107.32 113.90 3fxm s GLY 149 Ca -0.04 -1.60 -0.05 0.00 0.00 0.00 0.00 44.72 43.03 3fxm s GLY 149 CO 0.02 -1.64 0.09 0.48 0.00 0.00 0.00 173.10 172.04 3fxm s LEU 150 N -2.78 1.88 -0.21 0.66 0.05 0.35 -1.63 118.68 116.98 3fxm s LEU 150 Ca 0.19 -0.72 -0.03 0.00 0.05 0.00 0.00 54.13 53.63 3fxm s LEU 150 Cb -0.06 0.63 -0.00 0.00 -2.05 0.00 0.00 46.19 44.71 3fxm s LEU 150 CO 0.09 -0.61 -0.07 -0.22 -0.55 0.00 0.00 176.35 174.98 3fxm s LEU 151 N -2.62 2.75 -0.39 1.48 0.20 -0.40 -1.60 118.68 118.10 3fxm s LEU 151 Ca 0.02 -0.46 -0.21 0.00 0.69 0.00 0.00 54.13 54.17 3fxm s LEU 151 Cb 0.04 -1.68 0.01 0.00 -0.43 0.00 0.00 46.19 44.13 3fxm s LEU 151 CO -0.08 -0.02 0.69 0.00 -0.29 0.00 0.00 176.35 176.65 3fxm s ARG 153 N 2.91 2.54 -1.06 0.00 3.52 0.09 -1.62 118.95 125.34 3fxm s ARG 153 Ca 0.26 -0.67 -0.00 0.00 -0.13 0.00 0.00 55.73 55.19 3fxm s ARG 153 Cb -0.14 -2.15 0.00 0.00 -1.56 0.00 0.00 34.95 31.10 3fxm s ARG 153 CO 0.18 -0.09 0.88 -1.71 -0.81 0.00 0.00 175.30 173.75 3fxm n ASN 154 N 4.28 -2.07 0.00 -2.12 2.85 -0.67 -2.20 115.26 115.33 3fxm n ASN 154 Ca -0.19 -0.55 0.00 0.00 -0.11 0.00 0.00 54.58 53.73 3fxm n ASN 154 Cb 0.51 -4.59 0.00 0.00 1.24 0.00 0.00 39.78 36.94 3fxm n ASN 154 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 3fxm n ARG 155 N -3.77 -0.12 -4.40 1.20 1.74 -1.26 -4.97 116.66 105.07 3fxm n ARG 155 Ca -0.25 0.03 -0.21 0.00 -0.77 0.00 0.00 57.85 56.65 3fxm n ARG 155 Cb 0.65 -3.85 -0.10 0.00 -1.02 0.00 0.00 32.46 28.14 3fxm n ARG 155 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 3fxm s LYS 156 N -0.71 1.49 -0.43 5.56 1.02 -0.94 -4.97 119.74 120.76 3fxm s LYS 156 Ca 0.00 -1.70 -0.28 0.00 0.02 0.00 0.00 55.97 54.01 3fxm s LYS 156 Cb 0.00 -1.30 -0.00 0.00 -0.52 0.00 0.00 37.83 36.01 3fxm s LYS 156 CO 0.00 0.17 1.56 0.08 -0.92 0.00 0.00 175.35 176.25 3fxm s VAL 157 N -2.87 3.71 -0.05 3.17 1.01 -1.26 -0.73 120.40 123.39 3fxm s VAL 157 Ca 0.26 0.69 -0.05 0.00 0.00 0.00 0.00 61.98 62.89 3fxm s VAL 157 Cb -0.00 -4.05 -0.28 0.00 0.00 0.00 0.00 36.38 32.05 3fxm s VAL 157 CO 0.10 -0.73 0.65 -0.74 0.00 0.00 0.00 175.10 174.38 3fxm h HIS 158 N 11.76 0.51 -2.74 5.22 2.76 -0.54 -3.47 115.15 128.64 3fxm h HIS 158 Ca -0.29 -0.37 -0.11 0.00 -2.20 0.00 0.00 60.37 57.40 3fxm h HIS 158 Cb 1.13 -0.02 -0.22 0.00 1.55 0.00 0.00 27.41 29.85 3fxm h HIS 158 CO 0.98 1.55 -0.18 0.12 -1.30 0.00 0.00 177.93 179.10 3fxm s PHE 159 N -2.59 -0.37 0.07 5.26 2.19 -1.23 -5.00 117.98 116.32 3fxm s PHE 159 Ca -0.14 0.77 0.02 0.00 0.33 0.00 0.00 56.93 57.91 3fxm s PHE 159 Cb 0.06 0.17 -0.03 0.00 -1.31 0.00 0.00 43.02 41.91 3fxm s PHE 159 CO 0.83 -0.35 -0.07 -0.59 1.83 0.00 0.00 175.22 176.87 3fxm s PHE 160 N -0.64 0.81 0.29 10.12 -0.12 -1.26 -1.27 117.98 125.90 3fxm s PHE 160 Ca -0.07 -0.73 -0.28 0.00 -0.05 0.00 0.00 56.93 55.79 3fxm s PHE 160 Cb -0.04 -0.47 -0.09 0.00 -0.63 0.00 0.00 43.02 41.79 3fxm s PHE 160 CO 0.03 -0.12 1.02 0.95 -0.05 0.00 0.00 175.22 177.05 3fxm s THR 161 N -2.65 3.82 -0.37 -4.49 -4.23 -0.65 -5.01 115.64 102.06 3fxm s THR 161 Ca 0.03 1.72 -0.18 0.00 -1.18 0.00 0.00 61.69 62.08 3fxm s THR 161 Cb -0.01 -4.05 0.00 0.00 1.34 0.00 0.00 72.50 69.78 3fxm s THR 161 CO -0.02 0.33 0.49 -1.10 -0.54 0.00 0.00 174.62 173.77 3fxm s GLN 162 N -1.59 3.50 0.29 3.99 -0.21 -1.26 -4.73 119.66 119.66 3fxm s GLN 162 Ca 0.46 -0.31 -0.30 0.00 0.02 0.00 0.00 55.36 55.23 3fxm s GLN 162 Cb -0.27 -3.84 -0.13 0.00 1.00 0.00 0.00 33.01 29.77 3fxm s GLN 162 CO 0.34 -0.69 1.37 -0.25 -2.12 0.00 0.00 175.29 173.94 3fxm n ASP 163 N 5.70 2.88 -4.52 5.90 8.00 -1.26 -4.92 116.55 128.33 3fxm n ASP 163 Ca -0.06 1.17 -0.42 0.00 0.71 0.00 0.00 54.79 56.20 3fxm n ASP 163 Cb 0.49 -1.47 -0.03 0.00 -0.02 0.00 0.00 41.12 40.08 3fxm n ASP 163 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 3fxm s HIS 164 N -0.54 2.45 -0.13 1.24 3.76 -0.79 -4.98 115.29 116.30 3fxm s HIS 164 Ca 0.62 -0.37 -0.05 0.00 -0.15 0.00 0.00 55.06 55.10 3fxm s HIS 164 Cb -0.59 -4.55 -0.04 0.00 1.11 0.00 0.00 32.58 28.51 3fxm s HIS 164 CO 0.55 -1.93 0.07 0.15 -0.85 0.00 0.00 174.74 172.74 3fxm s LYS 165 N 5.07 3.44 0.39 1.40 -0.14 -1.26 -3.09 119.74 125.55 3fxm s LYS 165 Ca 0.34 -0.28 0.22 0.00 -1.36 0.00 0.00 55.97 54.89 3fxm s LYS 165 Cb -0.08 -3.06 1.25 0.00 -1.68 0.00 0.00 37.83 34.25 3fxm s LYS 165 CO 0.08 0.61 1.66 -1.35 -0.76 0.00 0.00 175.35 175.59 3fxm h PRO 166 N 5.52 0.21 -0.00 -1.68 0.11 -1.76 -1.52 132.00 132.87 3fxm h PRO 166 Ca -0.49 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3fxm h PRO 166 Cb 1.20 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3fxm h PRO 166 CO 0.60 0.14 -0.02 -1.13 -0.21 0.00 0.00 178.00 177.38 3fxm n SER 167 N -4.86 0.15 -4.77 -2.05 3.41 -1.26 -2.64 113.62 101.61 3fxm n SER 167 Ca 0.33 -0.59 -0.40 0.00 -0.26 0.00 0.00 58.87 57.95 3fxm n SER 167 Cb 1.17 -0.13 0.01 0.00 -0.26 0.00 0.00 64.21 65.00 3fxm n SER 167 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 3fxm s ASN 168 N -2.32 6.03 0.19 4.04 0.01 -0.57 -4.80 114.94 117.52 3fxm s ASN 168 Ca 0.36 2.87 -0.12 0.00 -0.71 0.00 0.00 52.86 55.25 3fxm s ASN 168 Cb 0.21 -2.65 0.15 0.00 0.41 0.00 0.00 41.25 39.36 3fxm s ASN 168 CO 0.43 -1.07 1.81 -0.65 -1.51 0.00 0.00 177.10 176.11 3fxm h PRO 169 N 2.48 0.61 0.00 -0.60 0.11 -1.89 0.10 132.00 132.81 3fxm h PRO 169 Ca -0.51 -0.04 -0.12 0.00 0.11 0.00 0.00 66.00 65.44 3fxm h PRO 169 Cb 1.26 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 32.21 3fxm h PRO 169 CO 0.62 0.41 -0.59 -0.07 -0.21 0.00 0.00 178.00 178.15 3fxm h LEU 170 N 0.63 0.00 -0.09 2.35 3.38 -1.93 -2.49 115.31 117.15 3fxm h LEU 170 Ca 0.24 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.15 3fxm h LEU 170 Cb 0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 3fxm h LEU 170 CO -0.13 0.59 -0.16 -0.33 0.09 0.00 0.00 178.44 178.50 3fxm h GLU 171 N 0.00 0.27 -0.79 1.13 4.39 -1.67 -2.62 114.58 115.28 3fxm h GLU 171 Ca -0.01 -0.17 0.03 0.00 0.34 0.00 0.00 59.36 59.56 3fxm h GLU 171 Cb 1.24 0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 29.86 3fxm h GLU 171 CO 0.08 0.75 0.50 -0.22 -1.16 0.00 0.00 179.01 178.96 3fxm h LYS 172 N -0.18 0.95 -0.26 2.33 3.64 -0.58 -0.78 116.57 121.69 3fxm h LYS 172 Ca 0.01 -0.06 0.01 0.00 -1.27 0.00 0.00 60.65 59.34 3fxm h LYS 172 Cb 0.74 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 32.32 3fxm h LYS 172 CO 0.04 0.63 0.14 1.49 -2.27 0.00 0.00 179.45 179.47 3fxm h GLU 173 N 0.98 0.28 0.07 1.90 4.81 -1.46 0.49 114.58 121.65 3fxm h GLU 173 Ca 0.32 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.53 3fxm h GLU 173 Cb 0.02 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.34 3fxm h GLU 173 CO -0.12 0.19 -0.03 -0.09 -0.73 0.00 0.00 179.01 178.23 3fxm h ARG 174 N 0.29 -0.09 -0.39 1.92 2.43 -1.04 -1.01 114.38 116.49 3fxm h ARG 174 Ca 0.11 0.01 0.08 0.00 -0.81 0.00 0.00 59.98 59.36 3fxm h ARG 174 Cb 0.02 0.02 -0.07 0.00 -0.42 0.00 0.00 29.97 29.52 3fxm h ARG 174 CO -0.06 0.16 -0.07 0.82 -1.51 0.00 0.00 179.97 179.31 3fxm h ILE 175 N -0.33 0.64 -0.30 1.20 2.04 -1.01 -0.81 117.51 118.94 3fxm h ILE 175 Ca -0.01 -0.01 0.00 0.00 1.00 0.00 0.00 64.86 65.84 3fxm h ILE 175 Cb 0.29 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 36.95 3fxm h ILE 175 CO 0.02 0.01 0.20 1.56 0.00 0.00 0.00 178.15 179.93 3fxm h GLN 176 N 0.03 0.39 0.00 2.37 4.20 -0.75 -0.93 115.11 120.41 3fxm h GLN 176 Ca 0.19 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.88 3fxm h GLN 176 Cb 0.29 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 27.98 3fxm h GLN 176 CO -0.38 0.26 0.00 -0.91 -0.67 0.00 0.00 178.83 177.13 3fxm h ASN 177 N 0.40 0.00 -0.46 1.46 -0.26 -0.60 0.04 115.58 116.17 3fxm h ASN 177 Ca 0.11 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.85 3fxm h ASN 177 Cb -0.04 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.22 3fxm h ASN 177 CO -0.03 0.00 0.00 0.00 -1.06 0.00 0.00 177.43 176.34 3fxm n ALA 178 N -1.96 2.43 -0.62 -0.83 0.00 -0.36 -4.91 120.51 114.26 3fxm n ALA 178 Ca -0.01 -0.85 0.00 0.00 0.00 0.00 0.00 53.44 52.58 3fxm n ALA 178 Cb 0.15 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 18.63 3fxm n ALA 178 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fxm n GLY 179 N 1.30 0.69 0.41 0.00 0.00 0.00 -4.87 105.19 102.72 3fxm n GLY 179 Ca 0.17 -0.03 -0.02 0.00 0.00 0.00 0.00 46.02 46.14 3fxm n GLY 179 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fxm n GLY 180 N -2.62 1.67 3.22 -0.02 0.00 -0.42 -5.00 105.19 102.02 3fxm n GLY 180 Ca 0.00 -2.10 -0.09 0.00 0.00 0.00 0.00 46.02 43.83 3fxm n GLY 180 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3fxm s SER 181 N -1.39 0.20 -0.30 1.61 1.04 -1.26 -4.04 113.70 109.56 3fxm s SER 181 Ca 0.07 -1.01 -0.07 0.00 0.48 0.00 0.00 55.95 55.42 3fxm s SER 181 Cb -0.00 0.35 0.01 0.00 0.10 0.00 0.00 66.02 66.47 3fxm s SER 181 CO 0.04 -0.78 0.09 -0.69 0.98 0.00 0.00 173.24 172.89 3fxm s VAL 182 N -3.99 4.06 -0.31 5.02 1.01 -1.26 -0.26 120.40 124.67 3fxm s VAL 182 Ca 0.18 -0.67 -0.09 0.00 0.00 0.00 0.00 61.98 61.40 3fxm s VAL 182 Cb 0.06 -3.10 0.00 0.00 0.00 0.00 0.00 36.38 33.34 3fxm s VAL 182 CO -0.01 0.06 0.13 -0.04 0.00 0.00 0.00 175.10 175.24 3fxm s MET 183 N 1.51 3.20 3.26 2.72 -1.94 -0.03 -4.86 119.30 123.16 3fxm s MET 183 Ca 0.03 -0.80 0.00 0.00 -1.71 0.00 0.00 55.69 53.20 3fxm s MET 183 Cb -0.17 -3.51 0.00 0.00 2.01 0.00 0.00 34.83 33.16 3fxm s MET 183 CO 0.03 -0.45 0.00 -0.89 -0.01 0.00 0.00 175.02 173.70 3fxm n ILE 184 N 4.94 0.00 -0.01 2.53 2.08 -1.26 -1.19 119.36 126.46 3fxm n ILE 184 Ca -0.14 0.00 0.02 0.00 0.56 0.00 0.00 62.75 63.19 3fxm n ILE 184 Cb 0.48 0.00 0.04 0.00 -0.75 0.00 0.00 39.64 39.41 3fxm n ILE 184 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3fxm n GLN 185 N 0.00 2.17 -5.23 0.38 1.13 -1.26 -4.81 117.38 109.77 3fxm n GLN 185 Ca 0.00 -1.45 -0.31 0.00 -1.94 0.00 0.00 57.00 53.30 3fxm n GLN 185 Cb 0.00 -1.08 -0.17 0.00 0.11 0.00 0.00 30.24 29.11 3fxm n GLN 185 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 3fxm s ARG 186 N -0.84 2.65 -0.11 -1.09 0.52 -0.33 -4.37 118.95 115.38 3fxm s ARG 186 Ca 0.06 -0.88 -0.31 0.00 -0.52 0.00 0.00 55.73 54.08 3fxm s ARG 186 Cb 0.04 -2.16 -0.09 0.00 0.52 0.00 0.00 34.95 33.25 3fxm s ARG 186 CO 0.05 0.31 2.03 0.28 0.02 0.00 0.00 175.30 177.99 3fxm n VAL 187 N 3.13 0.55 -1.95 3.52 0.31 0.15 -0.85 118.33 123.18 3fxm n VAL 187 Ca -0.18 -0.22 -0.08 0.00 -0.01 0.00 0.00 64.34 63.85 3fxm n VAL 187 Cb 0.52 -2.17 -0.02 0.00 -0.91 0.00 0.00 33.84 31.27 3fxm n VAL 187 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 3fxm n ASN 188 N 8.49 -2.56 0.00 4.52 3.02 0.63 -1.74 115.26 127.63 3fxm n ASN 188 Ca 0.25 0.26 0.00 0.00 -0.03 0.00 0.00 54.58 55.06 3fxm n ASN 188 Cb 0.36 -2.36 0.00 0.00 -0.61 0.00 0.00 39.78 37.17 3fxm n ASN 188 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3fxm n GLY 189 N -0.47 0.87 0.77 7.41 0.00 -0.72 -4.89 105.19 108.16 3fxm n GLY 189 Ca -0.09 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.89 3fxm n GLY 189 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3fxm n SER 190 N 0.00 1.13 -4.67 1.61 7.64 -0.71 -4.92 113.62 113.69 3fxm n SER 190 Ca 0.00 0.17 -0.41 0.00 1.01 0.00 0.00 58.87 59.64 3fxm n SER 190 Cb 0.00 -0.39 -0.04 0.00 -1.01 0.00 0.00 64.21 62.76 3fxm n SER 190 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 3fxm s LEU 191 N -7.02 4.19 0.28 -3.43 2.96 -1.08 -4.84 118.68 109.74 3fxm s LEU 191 Ca -0.09 1.12 0.26 0.00 -0.22 0.00 0.00 54.13 55.20 3fxm s LEU 191 Cb 0.02 -3.16 0.75 0.00 0.50 0.00 0.00 46.19 44.30 3fxm s LEU 191 CO 0.13 -0.34 1.74 0.00 -1.32 0.00 0.00 176.35 176.56 3fxm h ALA 192 N 7.29 1.00 -3.73 5.97 0.00 -1.91 0.46 119.26 128.34 3fxm h ALA 192 Ca -0.31 0.00 -0.68 0.00 0.00 0.00 0.00 54.91 53.92 3fxm h ALA 192 Cb 1.14 0.00 -0.19 0.00 0.00 0.00 0.00 17.79 18.74 3fxm h ALA 192 CO 0.82 0.00 -0.81 0.14 0.00 0.00 0.00 179.25 179.40 3fxm s VAL 193 N -3.17 2.78 -0.60 0.00 -7.23 -1.26 -4.36 120.40 106.56 3fxm s VAL 193 Ca 0.09 -1.54 0.16 0.00 -1.81 0.00 0.00 61.98 58.87 3fxm s VAL 193 Cb 0.10 -2.27 -0.18 0.00 0.56 0.00 0.00 36.38 34.59 3fxm s VAL 193 CO 0.59 0.09 0.61 -1.54 -0.31 0.00 0.00 175.10 174.54 3fxm n SER 194 N 0.79 0.84 -3.97 4.85 3.41 -1.18 -4.76 113.62 113.61 3fxm n SER 194 Ca -0.16 -0.71 -0.20 0.00 -0.26 0.00 0.00 58.87 57.55 3fxm n SER 194 Cb 0.53 1.14 -0.16 0.00 -0.26 0.00 0.00 64.21 65.46 3fxm n SER 194 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3fxm s ARG 195 N -2.59 0.87 -0.07 4.33 0.52 -1.26 -2.23 118.95 118.51 3fxm s ARG 195 Ca 0.04 -0.25 -0.31 0.00 -0.52 0.00 0.00 55.73 54.69 3fxm s ARG 195 Cb 0.12 -0.82 0.12 0.00 0.52 0.00 0.00 34.95 34.88 3fxm s ARG 195 CO 0.65 0.07 0.99 0.00 0.02 0.00 0.00 175.30 177.03 3fxm s ALA 196 N 0.30 -1.90 0.26 2.13 0.00 -0.25 -3.58 121.76 118.71 3fxm s ALA 196 Ca -0.04 1.23 -0.18 0.00 0.00 0.00 0.00 51.96 52.97 3fxm s ALA 196 Cb -0.09 0.16 -0.08 0.00 0.00 0.00 0.00 23.12 23.11 3fxm s ALA 196 CO 0.00 -0.63 0.73 -0.51 0.00 0.00 0.00 175.76 175.35 3fxm s LEU 197 N -2.27 4.24 0.00 0.00 1.43 0.36 -3.81 118.68 118.63 3fxm s LEU 197 Ca 0.06 1.37 0.00 0.00 -1.03 0.00 0.00 54.13 54.52 3fxm s LEU 197 Cb -0.01 -3.77 0.00 0.00 0.03 0.00 0.00 46.19 42.44 3fxm s LEU 197 CO -0.07 -0.06 0.00 0.61 0.23 0.00 0.00 176.35 177.07 3fxm n GLY 198 N 0.32 0.33 4.13 -3.19 0.00 -1.26 -0.71 105.19 104.81 3fxm n GLY 198 Ca -0.00 -0.94 -0.31 0.00 0.00 0.00 0.00 46.02 44.77 3fxm n GLY 198 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3fxm n ASP 199 N 3.88 -1.28 0.19 1.61 8.00 -0.03 -4.87 116.55 124.05 3fxm n ASP 199 Ca 0.00 -1.06 0.15 0.00 0.71 0.00 0.00 54.79 54.59 3fxm n ASP 199 Cb 0.00 -2.68 0.75 0.00 -0.02 0.00 0.00 41.12 39.18 3fxm n ASP 199 CO 0.00 0.00 0.00 -0.26 -0.39 0.00 0.00 177.20 176.55 3fxm h PHE 200 N -1.67 0.00 0.00 1.24 0.04 -1.90 0.90 116.94 115.55 3fxm h PHE 200 Ca -0.62 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.14 3fxm h PHE 200 Cb 1.38 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.53 3fxm h PHE 200 CO 0.56 0.00 -0.07 -0.44 -0.60 0.00 0.00 178.31 177.76 3fxm h ASP 201 N 0.00 0.00 -0.05 2.17 3.32 -1.94 -0.53 116.42 119.38 3fxm h ASP 201 Ca 0.08 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.13 3fxm h ASP 201 Cb 0.39 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.94 3fxm h ASP 201 CO -0.00 0.07 0.00 -1.22 -1.72 0.00 0.00 179.24 176.36 3fxm n TYR 202 N -4.23 0.06 -2.19 4.55 4.02 0.31 -4.09 117.16 115.59 3fxm n TYR 202 Ca -0.03 -0.03 -0.26 0.00 -0.01 0.00 0.00 57.90 57.58 3fxm n TYR 202 Cb 0.15 0.00 0.01 0.00 -0.02 0.00 0.00 39.34 39.48 3fxm n TYR 202 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 3fxm n LYS 203 N -0.30 3.52 -1.27 -0.72 5.02 -0.21 -2.40 118.16 121.80 3fxm n LYS 203 Ca 0.18 -4.28 0.02 0.00 -2.02 0.00 0.00 58.31 52.20 3fxm n LYS 203 Cb 0.22 -2.27 0.11 0.00 -0.02 0.00 0.00 35.03 33.06 3fxm n LYS 203 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3fxm s VAL 205 N -2.19 4.72 0.40 0.00 1.01 -1.26 -5.01 120.40 118.07 3fxm s VAL 205 Ca 0.37 1.97 -0.24 0.00 0.00 0.00 0.00 61.98 64.07 3fxm s VAL 205 Cb 0.38 -4.26 -0.09 0.00 0.00 0.00 0.00 36.38 32.41 3fxm s VAL 205 CO -0.09 0.09 1.10 -1.00 0.00 0.00 0.00 175.10 175.19 3fxm s HIS 206 N 1.44 3.18 -1.27 5.22 3.76 -1.26 -3.81 115.29 122.54 3fxm s HIS 206 Ca 0.52 1.61 -0.06 0.00 -0.15 0.00 0.00 55.06 56.98 3fxm s HIS 206 Cb -0.21 -3.23 -0.01 0.00 1.11 0.00 0.00 32.58 30.24 3fxm s HIS 206 CO 0.24 -0.92 0.66 0.41 -0.85 0.00 0.00 174.74 174.29 3fxm n GLY 207 N 0.47 -0.50 3.32 -2.22 0.00 -1.26 -5.01 105.19 99.98 3fxm n GLY 207 Ca 0.05 0.24 -0.10 0.00 0.00 0.00 0.00 46.02 46.21 3fxm n GLY 207 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fxm s LYS 208 N -6.04 0.43 1.27 1.61 -0.14 -1.25 -5.16 119.74 110.46 3fxm s LYS 208 Ca 0.15 0.83 -0.17 0.00 -1.36 0.00 0.00 55.97 55.42 3fxm s LYS 208 Cb -0.05 0.01 0.29 0.00 -1.68 0.00 0.00 37.83 36.40 3fxm s LYS 208 CO 0.84 -0.15 0.76 0.41 -0.76 0.00 0.00 175.35 176.45 3fxm n GLY 209 N 4.20 -2.80 0.33 -3.33 0.00 -1.26 -4.82 105.19 97.52 3fxm n GLY 209 Ca -0.23 -1.28 0.04 0.00 0.00 0.00 0.00 46.02 44.56 3fxm n GLY 209 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3fxm h PRO 210 N -2.95 0.74 -0.52 1.61 0.11 -1.98 -2.06 132.00 126.95 3fxm h PRO 210 Ca -0.52 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.55 3fxm h PRO 210 Cb 1.30 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3fxm h PRO 210 CO 0.37 0.49 0.00 0.25 -0.21 0.00 0.00 178.00 178.90 3fxm n THR 211 N -4.46 0.66 -0.81 -1.15 -2.24 -1.26 -4.01 114.28 101.01 3fxm n THR 211 Ca 0.07 -0.44 0.02 0.00 -2.27 0.00 0.00 64.05 61.44 3fxm n THR 211 Cb 0.10 -0.07 0.03 0.00 -2.10 0.00 0.00 70.33 68.29 3fxm n THR 211 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3fxm n GLU 212 N 0.28 1.41 -1.94 -0.78 1.02 -0.77 -4.89 120.64 114.96 3fxm n GLU 212 Ca 0.10 -1.46 -0.23 0.00 -0.02 0.00 0.00 57.16 55.55 3fxm n GLU 212 Cb 0.39 -0.93 0.14 0.00 -0.02 0.00 0.00 31.44 31.03 3fxm n GLU 212 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 3fxm n GLN 213 N -0.54 -0.61 -0.21 3.49 1.13 -1.24 -4.61 117.38 114.79 3fxm n GLN 213 Ca 0.04 -2.04 -0.05 0.00 -1.94 0.00 0.00 57.00 53.02 3fxm n GLN 213 Cb 0.48 -0.90 0.06 0.00 0.11 0.00 0.00 30.24 29.98 3fxm n GLN 213 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 3fxm h LEU 214 N 0.00 0.61 -8.06 1.08 3.38 -1.80 -3.40 115.31 107.11 3fxm h LEU 214 Ca -0.33 0.00 -0.65 0.00 0.09 0.00 0.00 57.88 56.99 3fxm h LEU 214 Cb 1.04 -0.13 -0.35 0.00 0.09 0.00 0.00 40.66 41.31 3fxm h LEU 214 CO 0.28 0.42 -0.86 -0.69 0.09 0.00 0.00 178.44 177.69 3fxm s VAL 215 N -6.13 1.93 0.07 1.22 1.01 -1.21 -4.67 120.40 112.62 3fxm s VAL 215 Ca -0.13 -0.87 -0.13 0.00 0.00 0.00 0.00 61.98 60.85 3fxm s VAL 215 Cb 0.14 -1.74 -0.06 0.00 0.00 0.00 0.00 36.38 34.72 3fxm s VAL 215 CO 0.75 0.52 0.45 -0.55 0.00 0.00 0.00 175.10 176.27 3fxm s SER 216 N 1.19 6.76 0.00 3.32 0.15 -0.95 -4.78 113.70 119.39 3fxm s SER 216 Ca 0.01 0.94 0.18 0.00 0.70 0.00 0.00 55.95 57.78 3fxm s SER 216 Cb -0.14 -2.24 0.50 0.00 -1.71 0.00 0.00 66.02 62.44 3fxm s SER 216 CO -0.09 0.21 1.41 -0.81 1.20 0.00 0.00 173.24 175.16 3fxm n PRO 217 N 1.21 2.17 -2.39 5.44 -0.04 -1.25 -1.09 135.00 139.05 3fxm n PRO 217 Ca -0.09 -1.81 -0.42 0.00 -0.04 0.00 0.00 63.50 61.14 3fxm n PRO 217 Cb 0.52 -1.42 -0.03 0.00 -0.04 0.00 0.00 33.50 32.54 3fxm n PRO 217 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 3fxm s GLU 218 N -1.41 4.29 0.66 0.54 2.12 -1.26 -4.56 118.70 119.08 3fxm s GLU 218 Ca 0.35 1.74 -0.11 0.00 0.36 0.00 0.00 54.97 57.30 3fxm s GLU 218 Cb 0.19 -3.65 -0.01 0.00 0.26 0.00 0.00 34.13 30.92 3fxm s GLU 218 CO 0.25 -0.57 1.06 -1.25 -0.54 0.00 0.00 175.26 174.21 3fxm s PRO 219 N 2.76 3.23 -0.18 4.30 0.04 -1.26 -4.83 135.00 139.06 3fxm s PRO 219 Ca 0.57 0.61 -0.03 0.00 0.04 0.00 0.00 61.00 62.19 3fxm s PRO 219 Cb -0.25 -2.05 -0.02 0.00 0.04 0.00 0.00 34.50 32.22 3fxm s PRO 219 CO 0.20 -0.80 -0.04 -2.00 0.04 0.00 0.00 177.00 174.40 3fxm s GLU 220 N -5.26 3.53 -0.07 4.56 2.12 -0.01 -4.95 118.70 118.61 3fxm s GLU 220 Ca 0.57 -0.57 0.05 0.00 0.36 0.00 0.00 54.97 55.37 3fxm s GLU 220 Cb -0.11 -2.93 -0.00 0.00 0.26 0.00 0.00 34.13 31.34 3fxm s GLU 220 CO 0.53 0.06 -0.22 0.08 -0.54 0.00 0.00 175.26 175.17 3fxm s VAL 221 N 0.82 1.87 -0.08 3.70 1.01 -1.26 -1.54 120.40 124.92 3fxm s VAL 221 Ca -0.01 -0.94 0.02 0.00 0.00 0.00 0.00 61.98 61.04 3fxm s VAL 221 Cb -0.15 -1.60 0.02 0.00 0.00 0.00 0.00 36.38 34.65 3fxm s VAL 221 CO 0.02 0.52 -0.11 -1.00 0.00 0.00 0.00 175.10 174.52 3fxm s HIS 222 N 0.07 1.49 -0.34 5.22 3.76 -0.42 -4.96 115.29 120.11 3fxm s HIS 222 Ca -0.09 -0.60 -0.20 0.00 -0.15 0.00 0.00 55.06 54.03 3fxm s HIS 222 Cb -0.15 -1.12 -0.00 0.00 1.11 0.00 0.00 32.58 32.42 3fxm s HIS 222 CO 0.05 -0.34 0.59 0.34 -0.85 0.00 0.00 174.74 174.53 3fxm s ASP 223 N 0.89 6.40 -0.19 1.40 2.15 -1.26 -0.34 116.67 125.72 3fxm s ASP 223 Ca -0.10 0.14 -0.04 0.00 0.43 0.00 0.00 52.55 52.98 3fxm s ASP 223 Cb -0.15 -2.31 -0.02 0.00 -0.30 0.00 0.00 42.92 40.14 3fxm s ASP 223 CO 0.01 -0.53 -0.04 -0.63 -0.17 0.00 0.00 175.17 173.81 3fxm s ILE 224 N 2.58 3.67 0.18 4.11 1.01 -0.17 -5.00 121.20 127.57 3fxm s ILE 224 Ca 0.22 -0.42 -0.30 0.00 0.00 0.00 0.00 60.65 60.16 3fxm s ILE 224 Cb -0.15 -2.63 -0.08 0.00 0.01 0.00 0.00 42.46 39.61 3fxm s ILE 224 CO 0.14 0.45 1.26 -1.61 0.00 0.00 0.00 174.94 175.18 3fxm s GLU 225 N 0.88 4.43 0.57 2.79 2.02 -1.26 -1.01 118.70 127.12 3fxm s GLU 225 Ca -0.00 1.96 -0.18 0.00 0.02 0.00 0.00 54.97 56.76 3fxm s GLU 225 Cb -0.15 -3.23 -0.05 0.00 0.10 0.00 0.00 34.13 30.81 3fxm s GLU 225 CO 0.01 -0.20 1.11 1.03 0.02 0.00 0.00 175.26 177.24 3fxm s ARG 226 N 0.02 3.26 -0.30 1.61 0.52 0.46 -4.86 118.95 119.66 3fxm s ARG 226 Ca 0.56 1.52 -0.01 0.00 -0.52 0.00 0.00 55.73 57.27 3fxm s ARG 226 Cb -0.34 -2.00 0.10 0.00 0.52 0.00 0.00 34.95 33.22 3fxm s ARG 226 CO 0.36 -0.91 0.10 0.45 0.02 0.00 0.00 175.30 175.33 3fxm s SER 227 N -2.03 3.91 0.25 0.23 0.15 -1.26 -4.96 113.70 109.98 3fxm s SER 227 Ca 0.70 -1.55 -0.04 0.00 0.70 0.00 0.00 55.95 55.76 3fxm s SER 227 Cb -0.22 -0.77 0.47 0.00 -1.71 0.00 0.00 66.02 63.79 3fxm s SER 227 CO 0.30 -0.42 1.70 -0.08 1.20 0.00 0.00 173.24 175.95 3fxm h GLU 228 N 8.15 0.32 0.01 5.44 4.57 -1.96 -1.10 114.58 130.01 3fxm h GLU 228 Ca -0.15 -0.02 -0.27 0.00 -1.18 0.00 0.00 59.36 57.75 3fxm h GLU 228 Cb 1.02 -0.07 0.02 0.00 -0.16 0.00 0.00 28.75 29.55 3fxm h GLU 228 CO 0.46 0.21 -1.05 0.93 -1.18 0.00 0.00 179.01 178.38 3fxm h GLU 229 N 0.33 0.67 0.00 1.92 5.08 -2.01 -3.40 114.58 117.17 3fxm h GLU 229 Ca 0.42 -0.73 -0.08 0.00 -1.00 0.00 0.00 59.36 57.97 3fxm h GLU 229 Cb 0.69 0.21 -0.01 0.00 0.50 0.00 0.00 28.75 30.14 3fxm h GLU 229 CO -0.47 1.31 -1.93 -0.25 -1.00 0.00 0.00 179.01 176.67 3fxm n ASP 230 N -3.84 0.75 -4.68 1.42 8.00 -1.11 -4.87 116.55 112.22 3fxm n ASP 230 Ca -0.11 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 54.97 3fxm n ASP 230 Cb 0.89 1.63 -0.03 0.00 -0.02 0.00 0.00 41.12 43.58 3fxm n ASP 230 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 3fxm s ASP 231 N -4.38 6.68 -0.06 -2.24 1.01 -0.43 -1.67 116.67 115.58 3fxm s ASP 231 Ca -0.07 2.32 -0.09 0.00 0.71 0.00 0.00 52.55 55.42 3fxm s ASP 231 Cb 0.10 -2.55 -0.03 0.00 1.01 0.00 0.00 42.92 41.45 3fxm s ASP 231 CO 0.76 -0.86 -0.18 0.00 0.21 0.00 0.00 175.17 175.10 3fxm n GLN 232 N 5.96 0.28 -3.47 8.23 6.02 -0.64 -4.07 117.38 129.69 3fxm n GLN 232 Ca 0.16 0.11 -0.11 0.00 -0.01 0.00 0.00 57.00 57.15 3fxm n GLN 232 Cb 0.42 -0.96 -0.02 0.00 1.02 0.00 0.00 30.24 30.69 3fxm n GLN 232 CO 0.00 0.00 0.00 -0.59 -1.01 0.00 0.00 177.06 175.46 3fxm s PHE 233 N -2.34 -0.46 -0.07 1.08 -0.12 -1.10 -0.86 117.98 114.13 3fxm s PHE 233 Ca -0.15 0.35 0.06 0.00 -0.05 0.00 0.00 56.93 57.14 3fxm s PHE 233 Cb 0.02 0.53 -0.01 0.00 -0.63 0.00 0.00 43.02 42.94 3fxm s PHE 233 CO 0.23 -0.68 -0.25 0.42 -0.05 0.00 0.00 175.22 174.89 3fxm s ILE 234 N -3.17 2.06 -0.15 -4.49 1.01 0.61 0.06 121.20 117.13 3fxm s ILE 234 Ca 0.02 -1.06 0.00 0.00 0.00 0.00 0.00 60.65 59.61 3fxm s ILE 234 Cb -0.01 -1.75 -0.01 0.00 0.01 0.00 0.00 42.46 40.71 3fxm s ILE 234 CO -0.09 0.57 -0.15 -0.63 0.00 0.00 0.00 174.94 174.64 3fxm s ILE 235 N -0.07 2.76 -0.06 2.92 1.01 -0.63 -1.39 121.20 125.74 3fxm s ILE 235 Ca -0.06 -0.74 0.06 0.00 0.00 0.00 0.00 60.65 59.90 3fxm s ILE 235 Cb -0.15 -2.16 -0.01 0.00 0.01 0.00 0.00 42.46 40.15 3fxm s ILE 235 CO 0.05 0.52 -0.25 -0.76 0.00 0.00 0.00 174.94 174.49 3fxm s LEU 236 N 0.71 2.07 0.00 2.97 1.43 -0.70 -0.50 118.68 124.66 3fxm s LEU 236 Ca -0.07 -0.51 -0.27 0.00 -1.03 0.00 0.00 54.13 52.25 3fxm s LEU 236 Cb -0.16 -1.37 0.06 0.00 0.03 0.00 0.00 46.19 44.76 3fxm s LEU 236 CO 0.02 0.25 0.62 0.00 0.23 0.00 0.00 176.35 177.46 3fxm s ALA 237 N -0.17 -1.61 0.86 4.21 0.00 -0.69 -1.06 121.76 123.30 3fxm s ALA 237 Ca -0.03 1.01 -0.12 0.00 0.00 0.00 0.00 51.96 52.82 3fxm s ALA 237 Cb -0.14 0.21 0.10 0.00 0.00 0.00 0.00 23.12 23.29 3fxm s ALA 237 CO 0.04 -0.45 1.10 0.00 0.00 0.00 0.00 175.76 176.45 3fxm n ASP 239 N -3.68 0.17 0.28 0.00 5.75 -1.25 -1.66 116.55 116.16 3fxm n ASP 239 Ca 0.07 0.50 0.14 0.00 -0.01 0.00 0.00 54.79 55.48 3fxm n ASP 239 Cb 0.56 -0.50 0.81 0.00 -1.03 0.00 0.00 41.12 40.96 3fxm n ASP 239 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 3fxm h GLY 240 N 0.00 0.00 0.00 6.12 0.00 -1.91 -0.77 103.07 106.50 3fxm h GLY 240 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3fxm h GLY 240 CO 0.00 0.00 -0.61 1.39 0.00 0.00 0.00 176.54 177.32 3fxm n ILE 241 N -3.75 1.43 0.25 2.60 2.08 -0.66 -4.49 119.36 116.83 3fxm n ILE 241 Ca -0.02 0.20 0.17 0.00 0.56 0.00 0.00 62.75 63.66 3fxm n ILE 241 Cb 0.16 -2.38 0.89 0.00 -0.75 0.00 0.00 39.64 37.56 3fxm n ILE 241 CO 0.00 0.00 0.00 -0.50 0.56 0.00 0.00 176.55 176.61 3fxm h TRP 242 N -1.00 0.00 -0.97 1.39 4.06 -1.59 -1.47 115.95 116.37 3fxm h TRP 242 Ca 0.00 0.00 0.08 0.00 2.06 0.00 0.00 58.89 61.03 3fxm h TRP 242 Cb 0.61 0.00 -0.07 0.00 -1.00 0.00 0.00 29.16 28.71 3fxm h TRP 242 CO -0.26 0.00 0.62 -0.44 -3.56 0.00 0.00 178.44 174.80 3fxm h ASP 243 N 0.00 0.95 -0.01 -3.49 3.32 -1.36 -3.17 116.42 112.66 3fxm h ASP 243 Ca 0.05 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.12 3fxm h ASP 243 Cb 0.34 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.72 3fxm h ASP 243 CO -0.00 0.57 -0.30 1.33 -1.72 0.00 0.00 179.24 179.12 3fxm n VAL 244 N -4.53 0.00 -3.91 -1.35 0.24 -0.60 -4.97 118.33 103.22 3fxm n VAL 244 Ca 0.16 -0.35 -0.13 0.00 -2.04 0.00 0.00 64.34 61.97 3fxm n VAL 244 Cb 0.25 1.15 -0.15 0.00 -1.47 0.00 0.00 33.84 33.63 3fxm n VAL 244 CO 0.00 0.00 0.00 -0.04 -2.14 0.00 0.00 176.83 174.65 3fxm s MET 245 N -1.70 0.09 0.65 7.34 -1.94 -0.96 -5.04 119.30 117.74 3fxm s MET 245 Ca 0.11 0.00 -0.04 0.00 -1.71 0.00 0.00 55.69 54.05 3fxm s MET 245 Cb 0.11 -0.14 0.05 0.00 2.01 0.00 0.00 34.83 36.86 3fxm s MET 245 CO 0.35 -0.02 0.94 0.20 -0.01 0.00 0.00 175.02 176.48 3fxm s GLY 246 N 0.22 1.72 0.10 -0.03 0.00 -1.26 -4.30 107.32 103.76 3fxm s GLY 246 Ca -0.02 -1.02 -0.27 0.00 0.00 0.00 0.00 44.72 43.41 3fxm s GLY 246 CO -0.01 -0.66 1.44 3.43 0.00 0.00 0.00 173.10 177.31 3fxm h ASN 247 N -0.38 -1.44 -0.26 1.64 2.35 -1.99 -1.41 115.58 114.08 3fxm h ASN 247 Ca -0.44 0.18 0.02 0.00 -0.55 0.00 0.00 56.30 55.51 3fxm h ASN 247 Cb 1.31 0.57 -0.03 0.00 0.05 0.00 0.00 38.32 40.22 3fxm h ASN 247 CO 0.58 -0.36 0.10 -0.33 -1.65 0.00 0.00 177.43 175.77 3fxm h GLU 248 N -0.41 0.22 -0.14 0.81 3.07 -1.98 -1.46 114.58 114.69 3fxm h GLU 248 Ca 0.04 -0.01 0.05 0.00 -0.50 0.00 0.00 59.36 58.93 3fxm h GLU 248 Cb 0.52 -0.05 -0.05 0.00 -0.84 0.00 0.00 28.75 28.32 3fxm h GLU 248 CO -0.41 0.15 -0.20 0.93 -1.40 0.00 0.00 179.01 178.08 3fxm h GLU 249 N 0.23 -0.24 -0.22 2.33 5.08 -1.93 0.17 114.58 120.01 3fxm h GLU 249 Ca 0.11 0.02 -0.17 0.00 -1.00 0.00 0.00 59.36 58.32 3fxm h GLU 249 Cb 0.07 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.37 3fxm h GLU 249 CO -0.11 -0.16 -0.56 1.25 -1.00 0.00 0.00 179.01 178.44 3fxm h LEU 250 N -0.24 0.76 -0.51 1.33 5.85 -0.98 0.40 115.31 121.92 3fxm h LEU 250 Ca 0.10 -0.41 -0.06 0.00 0.84 0.00 0.00 57.88 58.35 3fxm h LEU 250 Cb 0.40 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.19 3fxm h LEU 250 CO -0.29 1.16 0.07 0.00 -0.34 0.00 0.00 178.44 179.04 3fxm h ASP 252 N 0.74 1.08 -0.04 0.00 3.32 -0.26 -2.53 116.42 118.72 3fxm h ASP 252 Ca 0.15 -0.24 -0.01 0.00 0.02 0.00 0.00 57.03 56.96 3fxm h ASP 252 Cb 0.42 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.69 3fxm h ASP 252 CO 0.01 1.04 -0.01 0.15 -1.72 0.00 0.00 179.24 178.71 3fxm h PHE 253 N 1.07 0.10 -0.40 4.55 3.57 0.18 -1.89 116.94 124.11 3fxm h PHE 253 Ca 0.22 -0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.74 3fxm h PHE 253 Cb 0.39 -0.02 -0.04 0.00 2.79 0.00 0.00 35.95 39.07 3fxm h PHE 253 CO 0.03 0.44 0.16 0.28 -2.23 0.00 0.00 178.31 176.99 3fxm h VAL 254 N -0.27 0.91 -0.42 1.41 2.07 -0.65 -0.91 116.25 118.39 3fxm h VAL 254 Ca 0.01 -0.11 0.08 0.00 0.82 0.00 0.00 66.70 67.50 3fxm h VAL 254 Cb 0.41 0.54 -0.09 0.00 -1.52 0.00 0.00 31.29 30.63 3fxm h VAL 254 CO 0.00 0.06 -0.31 -0.09 0.02 0.00 0.00 177.57 177.26 3fxm h ARG 255 N 0.33 -0.22 -0.67 1.57 2.43 -1.47 0.30 114.38 116.66 3fxm h ARG 255 Ca 0.18 0.01 0.10 0.00 -0.81 0.00 0.00 59.98 59.47 3fxm h ARG 255 Cb 0.14 0.05 -0.07 0.00 -0.42 0.00 0.00 29.97 29.67 3fxm h ARG 255 CO -0.17 -0.15 0.29 0.66 -1.51 0.00 0.00 179.97 179.09 3fxm h SER 256 N -0.23 0.32 -0.33 -3.80 4.64 -0.36 -1.36 113.55 112.43 3fxm h SER 256 Ca 0.18 0.08 -0.08 0.00 -0.47 0.00 0.00 61.79 61.50 3fxm h SER 256 Cb 0.53 0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.64 3fxm h SER 256 CO -0.55 0.18 -0.11 0.03 -0.87 0.00 0.00 176.83 175.51 3fxm h ARG 257 N 0.49 0.66 -0.24 4.77 2.47 -0.42 -2.84 114.38 119.27 3fxm h ARG 257 Ca 0.34 -0.27 0.06 0.00 -1.26 0.00 0.00 59.98 58.85 3fxm h ARG 257 Cb 0.41 -0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 28.69 3fxm h ARG 257 CO -0.30 0.85 0.17 -0.07 0.56 0.00 0.00 179.97 181.17 3fxm h LEU 258 N 0.43 0.05 0.00 3.04 3.38 0.32 -0.41 115.31 122.13 3fxm h LEU 258 Ca 0.08 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3fxm h LEU 258 Cb 0.62 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.36 3fxm h LEU 258 CO 0.04 0.04 0.00 -0.62 0.09 0.00 0.00 178.44 177.98 3fxm n GLU 259 N -4.48 0.72 0.00 1.13 1.02 -0.59 -3.48 120.64 114.96 3fxm n GLU 259 Ca 0.02 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.16 3fxm n GLU 259 Cb 0.27 -1.17 0.00 0.00 -0.02 0.00 0.00 31.44 30.52 3fxm n GLU 259 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3fxm n VAL 260 N -0.67 0.00 -3.98 2.62 0.31 -0.23 -1.90 118.33 114.47 3fxm n VAL 260 Ca 0.06 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.30 3fxm n VAL 260 Cb 0.03 -0.52 -0.10 0.00 -0.91 0.00 0.00 33.84 32.34 3fxm n VAL 260 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 3fxm s THR 261 N -1.60 0.14 -1.44 2.52 2.01 -0.79 -4.90 115.64 111.58 3fxm s THR 261 Ca 0.00 -1.18 0.15 0.00 0.31 0.00 0.00 61.69 60.97 3fxm s THR 261 Cb 0.00 -0.81 0.37 0.00 0.01 0.00 0.00 72.50 72.07 3fxm s THR 261 CO 0.00 -0.65 1.29 -0.90 -0.69 0.00 0.00 174.62 173.67 3fxm n ASP 262 N 0.91 3.11 -4.53 3.53 5.68 -1.26 -4.30 116.55 119.69 3fxm n ASP 262 Ca -0.20 -1.93 -0.43 0.00 -0.50 0.00 0.00 54.79 51.74 3fxm n ASP 262 Cb 0.58 -0.26 -0.04 0.00 -1.14 0.00 0.00 41.12 40.26 3fxm n ASP 262 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 3fxm s ASP 263 N -1.06 6.36 0.19 -1.12 -1.08 -1.26 -4.92 116.67 113.78 3fxm s ASP 263 Ca 0.30 -0.25 0.06 0.00 -0.52 0.00 0.00 52.55 52.13 3fxm s ASP 263 Cb 0.16 -2.46 0.09 0.00 -1.46 0.00 0.00 42.92 39.25 3fxm s ASP 263 CO 0.22 -1.28 1.44 -0.07 0.52 0.00 0.00 175.17 176.00 3fxm h LEU 264 N 11.16 0.15 -0.66 -1.34 3.38 -1.91 -2.46 115.31 123.63 3fxm h LEU 264 Ca -0.26 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 57.57 3fxm h LEU 264 Cb 1.07 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.75 3fxm h LEU 264 CO 1.11 0.88 0.29 -0.33 0.09 0.00 0.00 178.44 180.48 3fxm h GLU 265 N 0.07 0.98 -0.57 1.13 5.08 -1.86 -1.86 114.58 117.56 3fxm h GLU 265 Ca -0.02 -0.16 -0.02 0.00 -1.00 0.00 0.00 59.36 58.15 3fxm h GLU 265 Cb 1.39 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 30.45 3fxm h GLU 265 CO 0.11 0.80 0.27 -0.22 -1.00 0.00 0.00 179.01 178.97 3fxm h LYS 266 N 0.93 0.83 -0.41 2.33 3.64 -1.90 -0.68 116.57 121.31 3fxm h LYS 266 Ca 0.22 -0.13 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 3fxm h LYS 266 Cb 0.17 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.82 3fxm h LYS 266 CO -0.02 0.68 0.27 0.28 -2.27 0.00 0.00 179.45 178.39 3fxm h VAL 267 N 0.77 1.11 -0.61 2.00 2.07 -1.19 -2.01 116.25 118.38 3fxm h VAL 267 Ca 0.19 -0.20 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 3fxm h VAL 267 Cb 0.13 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 30.38 3fxm h VAL 267 CO -0.02 0.10 0.29 0.00 0.02 0.00 0.00 177.57 177.96 3fxm h ASN 269 N 0.86 0.79 -0.01 0.00 2.35 -0.89 -1.80 115.58 116.89 3fxm h ASN 269 Ca 0.21 -0.07 -0.16 0.00 -0.55 0.00 0.00 56.30 55.73 3fxm h ASN 269 Cb 0.09 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.26 3fxm h ASN 269 CO -0.03 0.66 -0.54 -0.33 -1.65 0.00 0.00 177.43 175.55 3fxm h GLU 270 N 0.89 0.59 -0.24 0.81 5.08 -0.56 0.79 114.58 121.93 3fxm h GLU 270 Ca 0.22 -0.37 0.02 0.00 -1.00 0.00 0.00 59.36 58.23 3fxm h GLU 270 Cb 0.07 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 3fxm h GLU 270 CO -0.03 0.98 0.12 0.28 -1.00 0.00 0.00 179.01 179.35 3fxm h VAL 271 N 0.45 0.99 -0.24 3.13 2.07 -1.14 -0.30 116.25 121.22 3fxm h VAL 271 Ca 0.01 -0.09 -0.12 0.00 0.82 0.00 0.00 66.70 67.32 3fxm h VAL 271 Cb 1.09 0.71 -0.00 0.00 -1.52 0.00 0.00 31.29 31.57 3fxm h VAL 271 CO 0.10 0.05 -0.33 0.58 0.02 0.00 0.00 177.57 177.99 3fxm h VAL 272 N 0.25 1.32 0.08 2.57 2.07 -1.08 -1.23 116.25 120.23 3fxm h VAL 272 Ca 0.10 -1.53 -0.00 0.00 0.82 0.00 0.00 66.70 66.09 3fxm h VAL 272 Cb 0.03 1.74 0.00 0.00 -1.52 0.00 0.00 31.29 31.54 3fxm h VAL 272 CO -0.07 0.48 -0.04 0.44 0.02 0.00 0.00 177.57 178.40 3fxm h ASP 273 N 0.35 -0.09 -0.89 0.57 3.32 -0.85 -1.39 116.42 117.43 3fxm h ASP 273 Ca 0.03 -0.28 0.24 0.00 0.02 0.00 0.00 57.03 57.04 3fxm h ASP 273 Cb 0.92 0.02 -0.14 0.00 0.22 0.00 0.00 39.33 40.35 3fxm h ASP 273 CO 0.08 0.23 0.27 0.74 -1.72 0.00 0.00 179.24 178.84 3fxm h THR 274 N -0.42 0.32 -0.30 0.35 2.02 -1.03 0.14 112.91 113.98 3fxm h THR 274 Ca -0.01 -0.08 -0.11 0.00 0.77 0.00 0.00 66.41 66.98 3fxm h THR 274 Cb 0.36 0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 66.84 3fxm h THR 274 CO 0.02 0.04 -0.25 0.00 0.37 0.00 0.00 175.52 175.70 3fxm h LEU 276 N 0.46 0.63 -0.24 0.00 7.12 -0.27 -0.88 115.31 122.13 3fxm h LEU 276 Ca 0.05 0.04 -0.21 0.00 0.13 0.00 0.00 57.88 57.89 3fxm h LEU 276 Cb 0.81 -0.09 -0.01 0.00 -0.53 0.00 0.00 40.66 40.85 3fxm h LEU 276 CO 0.07 0.39 -0.90 1.88 -0.13 0.00 0.00 178.44 179.74 3fxm h TYR 277 N 0.76 0.42 0.00 1.25 0.05 -0.83 -2.12 116.97 116.50 3fxm h TYR 277 Ca 0.35 -0.23 0.00 0.00 0.05 0.00 0.00 58.73 58.90 3fxm h TYR 277 Cb 0.26 -0.05 0.00 0.00 1.01 0.00 0.00 36.73 37.95 3fxm h TYR 277 CO -0.07 1.04 0.00 1.63 -1.05 0.00 0.00 178.16 179.72 3fxm n LYS 278 N -3.69 0.08 0.00 4.88 5.02 0.34 -4.83 118.16 119.95 3fxm n LYS 278 Ca -0.05 0.23 0.00 0.00 -2.02 0.00 0.00 58.31 56.47 3fxm n LYS 278 Cb 0.82 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.33 3fxm n LYS 278 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3fxm n GLY 279 N -0.79 0.94 3.72 0.72 0.00 -0.80 -5.03 105.19 103.96 3fxm n GLY 279 Ca 0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 3fxm n GLY 279 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3fxm n SER 280 N 0.00 3.54 -0.16 1.61 2.88 -0.36 -4.88 113.62 116.26 3fxm n SER 280 Ca 0.00 1.15 0.08 0.00 -1.33 0.00 0.00 58.87 58.77 3fxm n SER 280 Cb 0.00 -1.55 0.12 0.00 -0.75 0.00 0.00 64.21 62.03 3fxm n SER 280 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3fxm n ARG 281 N 2.10 1.09 -3.73 -1.46 1.74 -1.26 -4.50 116.66 110.65 3fxm n ARG 281 Ca 0.09 -2.37 -0.21 0.00 -0.77 0.00 0.00 57.85 54.59 3fxm n ARG 281 Cb 0.35 -1.35 -0.04 0.00 -1.02 0.00 0.00 32.46 30.40 3fxm n ARG 281 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3fxm s ASP 282 N -2.61 5.01 0.42 0.55 -1.08 -1.26 -4.08 116.67 113.61 3fxm s ASP 282 Ca 0.27 -0.72 -0.26 0.00 -0.52 0.00 0.00 52.55 51.33 3fxm s ASP 282 Cb 0.24 -0.67 -0.10 0.00 -1.46 0.00 0.00 42.92 40.93 3fxm s ASP 282 CO 0.02 -0.54 1.26 0.59 0.52 0.00 0.00 175.17 177.02 3fxm n ASN 283 N -1.44 2.50 -4.04 -0.34 5.03 -1.24 -4.55 115.26 111.18 3fxm n ASN 283 Ca 0.01 1.11 -0.24 0.00 0.87 0.00 0.00 54.58 56.33 3fxm n ASN 283 Cb 0.62 -1.49 -0.16 0.00 -1.02 0.00 0.00 39.78 37.72 3fxm n ASN 283 CO 0.00 0.00 0.00 -0.04 -1.83 0.00 0.00 177.26 175.39 3fxm s MET 284 N -2.17 1.56 -0.04 3.52 -1.94 -0.89 -3.95 119.30 115.39 3fxm s MET 284 Ca 0.61 -0.43 0.01 0.00 -1.71 0.00 0.00 55.69 54.17 3fxm s MET 284 Cb -0.51 -1.33 0.02 0.00 2.01 0.00 0.00 34.83 35.02 3fxm s MET 284 CO 0.58 0.09 -0.03 -1.12 -0.01 0.00 0.00 175.02 174.53 3fxm s SER 285 N 0.45 0.73 -0.02 3.03 0.01 -1.26 -0.93 113.70 115.70 3fxm s SER 285 Ca -0.10 -0.09 0.05 0.00 1.31 0.00 0.00 55.95 57.12 3fxm s SER 285 Cb -0.14 -0.36 -0.01 0.00 0.21 0.00 0.00 66.02 65.72 3fxm s SER 285 CO 0.03 -0.07 -0.17 -0.69 0.41 0.00 0.00 173.24 172.76 3fxm s VAL 286 N 0.92 1.33 -0.04 3.43 1.01 0.24 -2.61 120.40 124.67 3fxm s VAL 286 Ca -0.11 -0.70 0.07 0.00 0.00 0.00 0.00 61.98 61.23 3fxm s VAL 286 Cb -0.14 -1.12 -0.02 0.00 0.00 0.00 0.00 36.38 35.10 3fxm s VAL 286 CO -0.00 0.38 -0.24 -0.63 0.00 0.00 0.00 175.10 174.60 3fxm s ILE 287 N -0.23 2.17 -0.23 2.22 1.01 -0.22 -1.06 121.20 124.85 3fxm s ILE 287 Ca 0.03 -1.05 -0.01 0.00 0.00 0.00 0.00 60.65 59.63 3fxm s ILE 287 Cb -0.08 -1.77 0.07 0.00 0.01 0.00 0.00 42.46 40.68 3fxm s ILE 287 CO 0.00 0.58 -0.00 -0.22 0.00 0.00 0.00 174.94 175.30 3fxm s LEU 288 N -0.40 2.15 -0.25 2.97 0.20 -0.21 -1.73 118.68 121.41 3fxm s LEU 288 Ca 0.04 -1.15 -0.10 0.00 0.69 0.00 0.00 54.13 53.61 3fxm s LEU 288 Cb -0.12 -0.97 -0.04 0.00 -0.43 0.00 0.00 46.19 44.63 3fxm s LEU 288 CO 0.01 -0.29 0.14 -0.63 -0.29 0.00 0.00 176.35 175.30 3fxm s ILE 289 N 1.56 5.01 -0.10 6.68 1.09 -0.49 -1.83 121.20 133.12 3fxm s ILE 289 Ca -0.02 0.06 -0.03 0.00 -1.10 0.00 0.00 60.65 59.57 3fxm s ILE 289 Cb -0.18 -3.35 -0.03 0.00 -1.06 0.00 0.00 42.46 37.83 3fxm s ILE 289 CO -0.09 0.31 0.02 0.00 -0.10 0.00 0.00 174.94 175.08 3fxm s PHE 291 N -0.73 3.48 0.44 0.00 0.08 -0.04 -2.30 117.98 118.92 3fxm s PHE 291 Ca 0.12 0.18 0.30 0.00 0.12 0.00 0.00 56.93 57.64 3fxm s PHE 291 Cb -0.12 -1.74 1.41 0.00 -0.57 0.00 0.00 43.02 42.00 3fxm s PHE 291 CO 0.02 0.27 1.64 -1.35 -0.10 0.00 0.00 175.22 175.71 3fxm h PRO 292 N 0.96 0.11 -0.92 0.24 0.11 -1.82 0.74 132.00 131.42 3fxm h PRO 292 Ca -0.51 -0.01 -0.50 0.00 0.11 0.00 0.00 66.00 65.09 3fxm h PRO 292 Cb 1.22 -0.02 -0.29 0.00 0.11 0.00 0.00 31.00 32.02 3fxm h PRO 292 CO 0.61 0.07 0.58 0.09 -0.21 0.00 0.00 178.00 179.15 3fxm n ASN 293 N -4.62 4.11 -4.65 -2.05 5.03 -1.26 -4.95 115.26 106.87 3fxm n ASN 293 Ca 0.36 -3.66 -0.33 0.00 0.87 0.00 0.00 54.58 51.82 3fxm n ASN 293 Cb 1.39 -0.83 0.13 0.00 -1.02 0.00 0.00 39.78 39.45 3fxm n ASN 293 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3fxm n ALA 294 N -1.11 -0.48 -1.69 5.41 0.00 0.26 -4.55 120.51 118.35 3fxm n ALA 294 Ca 0.57 -0.38 -0.40 0.00 0.00 0.00 0.00 53.44 53.23 3fxm n ALA 294 Cb 1.47 -2.17 0.03 0.00 0.00 0.00 0.00 19.45 18.78 3fxm n ALA 294 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3fxm n PRO 295 N -3.08 1.63 -3.95 0.00 -0.02 -1.26 -4.99 135.00 123.33 3fxm n PRO 295 Ca 0.12 0.59 -0.26 0.00 -2.02 0.00 0.00 63.50 61.94 3fxm n PRO 295 Cb 0.51 -2.36 -0.03 0.00 -0.02 0.00 0.00 33.50 31.59 3fxm n PRO 295 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3fxm s LYS 296 N -2.47 3.43 0.23 -0.52 -0.14 -1.26 -4.73 119.74 114.29 3fxm s LYS 296 Ca 0.67 -0.61 -0.31 0.00 -1.36 0.00 0.00 55.97 54.36 3fxm s LYS 296 Cb -0.47 -2.96 -0.10 0.00 -1.68 0.00 0.00 37.83 32.62 3fxm s LYS 296 CO 0.54 0.52 1.51 0.08 -0.76 0.00 0.00 175.35 177.23 3fxm s VAL 297 N -1.75 2.54 -0.14 3.17 1.01 -1.25 -4.28 120.40 119.71 3fxm s VAL 297 Ca 0.34 0.43 0.01 0.00 0.00 0.00 0.00 61.98 62.77 3fxm s VAL 297 Cb -0.11 -3.27 -0.00 0.00 0.00 0.00 0.00 36.38 32.99 3fxm s VAL 297 CO 0.28 0.06 -0.17 -0.55 0.00 0.00 0.00 175.10 174.72 3fxm s SER 298 N 0.64 3.58 0.36 3.32 0.15 -0.80 -4.98 113.70 115.97 3fxm s SER 298 Ca 0.64 -0.46 0.08 0.00 0.70 0.00 0.00 55.95 56.90 3fxm s SER 298 Cb -0.44 -1.53 0.79 0.00 -1.71 0.00 0.00 66.02 63.13 3fxm s SER 298 CO 0.40 0.12 1.89 -0.65 1.20 0.00 0.00 173.24 176.21 3fxm h PRO 299 N 7.02 0.70 -0.14 5.44 0.11 -1.95 -2.35 132.00 140.84 3fxm h PRO 299 Ca -0.28 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.76 3fxm h PRO 299 Cb 1.21 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 32.15 3fxm h PRO 299 CO 0.54 0.46 -0.04 1.49 -0.21 0.00 0.00 178.00 180.24 3fxm h GLU 300 N 0.72 0.27 -0.39 1.05 4.81 -1.95 -2.73 114.58 116.37 3fxm h GLU 300 Ca 0.41 -0.11 0.00 0.00 -0.13 0.00 0.00 59.36 59.53 3fxm h GLU 300 Cb 0.58 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.93 3fxm h GLU 300 CO -0.17 0.58 0.25 0.00 -0.73 0.00 0.00 179.01 178.93 3fxm h ALA 301 N 0.69 1.71 -0.57 2.92 0.00 -1.69 0.44 119.26 122.76 3fxm h ALA 301 Ca 0.03 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 3fxm h ALA 301 Cb 0.48 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 3fxm h ALA 301 CO 0.02 0.26 0.03 0.28 0.00 0.00 0.00 179.25 179.84 3fxm h VAL 302 N 0.52 1.26 -0.17 0.00 2.07 -1.42 -1.72 116.25 116.80 3fxm h VAL 302 Ca 0.14 -1.08 -0.02 0.00 0.82 0.00 0.00 66.70 66.56 3fxm h VAL 302 Cb -0.05 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 3fxm h VAL 302 CO -0.03 0.39 0.02 0.11 0.02 0.00 0.00 177.57 178.08 3fxm h LYS 303 N 0.88 0.28 -0.68 1.57 1.57 -0.90 -1.11 116.57 118.18 3fxm h LYS 303 Ca 0.17 -0.08 0.11 0.00 -1.87 0.00 0.00 60.65 58.98 3fxm h LYS 303 Cb 0.50 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.74 3fxm h LYS 303 CO 0.02 0.46 0.46 0.87 -0.57 0.00 0.00 179.45 180.69 3fxm h LYS 304 N 0.06 0.46 -0.07 3.15 1.57 -0.87 0.38 116.57 121.26 3fxm h LYS 304 Ca 0.05 -0.03 -0.17 0.00 -1.87 0.00 0.00 60.65 58.63 3fxm h LYS 304 Cb 0.32 -0.10 0.01 0.00 0.08 0.00 0.00 32.23 32.53 3fxm h LYS 304 CO 0.00 0.30 -0.64 1.49 -0.57 0.00 0.00 179.45 180.04 3fxm h GLU 305 N 0.47 0.55 -0.73 3.15 4.81 -1.02 0.16 114.58 121.96 3fxm h GLU 305 Ca 0.32 -0.50 0.00 0.00 -0.13 0.00 0.00 59.36 59.05 3fxm h GLU 305 Cb 0.62 0.12 -0.04 0.00 0.63 0.00 0.00 28.75 30.08 3fxm h GLU 305 CO -0.10 1.13 0.47 0.00 -0.73 0.00 0.00 179.01 179.78 3fxm h ALA 306 N 0.43 0.93 0.41 2.92 0.00 -0.32 0.21 119.26 123.84 3fxm h ALA 306 Ca -0.06 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 3fxm h ALA 306 Cb 1.31 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.80 3fxm h ALA 306 CO 0.13 0.37 -0.20 0.93 0.00 0.00 0.00 179.25 180.48 3fxm h GLU 307 N 1.00 -0.53 -0.95 0.00 5.08 -0.25 -2.10 114.58 116.82 3fxm h GLU 307 Ca 0.27 0.04 0.06 0.00 -1.00 0.00 0.00 59.36 58.72 3fxm h GLU 307 Cb -0.09 0.12 -0.06 0.00 0.50 0.00 0.00 28.75 29.22 3fxm h GLU 307 CO -0.06 -0.34 0.62 1.25 -1.00 0.00 0.00 179.01 179.48 3fxm h LEU 308 N -0.58 0.98 -0.40 1.33 5.85 -0.86 -0.55 115.31 121.09 3fxm h LEU 308 Ca -0.06 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 3fxm h LEU 308 Cb 0.44 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 3fxm h LEU 308 CO 0.09 0.63 0.21 0.44 -0.34 0.00 0.00 178.44 179.48 3fxm h ASP 309 N 1.11 0.51 -0.32 1.25 5.19 -0.46 -1.79 116.42 121.92 3fxm h ASP 309 Ca 0.40 -0.10 -0.13 0.00 -0.62 0.00 0.00 57.03 56.58 3fxm h ASP 309 Cb 0.16 -0.13 -0.01 0.00 0.18 0.00 0.00 39.33 39.52 3fxm h ASP 309 CO -0.15 0.47 -0.29 0.50 -3.12 0.00 0.00 179.24 176.65 3fxm h LYS 310 N 0.51 0.84 -0.57 3.56 1.63 -1.12 -1.83 116.57 119.59 3fxm h LYS 310 Ca 0.14 -0.38 -0.02 0.00 -0.85 0.00 0.00 60.65 59.54 3fxm h LYS 310 Cb 0.08 -0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 31.67 3fxm h LYS 310 CO -0.02 1.02 0.27 -0.92 -3.45 0.00 0.00 179.45 176.34 3fxm h TYR 311 N 0.71 0.83 0.00 1.91 5.03 -0.97 -2.08 116.97 122.41 3fxm h TYR 311 Ca 0.08 -0.04 -0.08 0.00 2.58 0.00 0.00 58.73 61.26 3fxm h TYR 311 Cb 0.83 -0.26 -0.01 0.00 1.55 0.00 0.00 36.73 38.84 3fxm h TYR 311 CO 0.05 0.65 -0.40 -0.07 -1.32 0.00 0.00 178.16 177.07 3fxm h LEU 312 N 0.78 0.00 -0.23 2.82 3.38 -1.07 -2.07 115.31 118.92 3fxm h LEU 312 Ca 0.20 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.12 3fxm h LEU 312 Cb 0.13 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 3fxm h LEU 312 CO -0.02 0.40 -0.04 -0.33 0.09 0.00 0.00 178.44 178.53 3fxm h GLU 313 N 0.00 0.44 -0.92 1.13 5.08 -0.75 -2.70 114.58 116.86 3fxm h GLU 313 Ca -0.00 -0.16 -0.01 0.00 -1.00 0.00 0.00 59.36 58.19 3fxm h GLU 313 Cb 0.74 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.91 3fxm h GLU 313 CO 0.05 0.66 0.53 0.00 -1.00 0.00 0.00 179.01 179.24 3fxm h ARG 315 N 1.27 0.57 0.38 0.00 2.47 -1.34 -0.11 114.38 117.62 3fxm h ARG 315 Ca 0.33 -0.11 -0.01 0.00 -1.26 0.00 0.00 59.98 58.93 3fxm h ARG 315 Cb -0.01 -0.09 -0.02 0.00 -1.65 0.00 0.00 29.97 28.20 3fxm h ARG 315 CO -0.06 0.55 -0.31 0.28 0.56 0.00 0.00 179.97 181.00 3fxm h VAL 316 N 0.47 0.36 -0.92 2.04 2.07 -1.25 0.31 116.25 119.33 3fxm h VAL 316 Ca 0.13 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.80 3fxm h VAL 316 Cb 0.20 0.36 -0.10 0.00 -1.52 0.00 0.00 31.29 30.23 3fxm h VAL 316 CO -0.01 0.00 0.52 -0.08 0.02 0.00 0.00 177.57 178.02 3fxm h GLU 317 N -0.69 0.71 -0.08 1.57 4.81 -1.27 -1.99 114.58 117.64 3fxm h GLU 317 Ca -0.03 -0.04 -0.20 0.00 -0.13 0.00 0.00 59.36 58.96 3fxm h GLU 317 Cb 0.60 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 29.82 3fxm h GLU 317 CO -0.02 0.47 -0.76 0.93 -0.73 0.00 0.00 179.01 178.90 3fxm h GLU 318 N 0.73 0.49 -0.34 1.92 4.39 -0.55 -3.26 114.58 117.96 3fxm h GLU 318 Ca 0.50 -0.41 -0.04 0.00 0.34 0.00 0.00 59.36 59.75 3fxm h GLU 318 Cb 0.69 0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.41 3fxm h GLU 318 CO -0.35 1.04 0.03 0.82 -1.16 0.00 0.00 179.01 179.40 3fxm h ILE 319 N 0.33 1.18 -0.52 3.13 2.04 0.34 -3.27 117.51 120.73 3fxm h ILE 319 Ca -0.04 -0.70 -0.60 0.00 1.00 0.00 0.00 64.86 64.52 3fxm h ILE 319 Cb 1.36 0.90 -0.05 0.00 -0.74 0.00 0.00 36.82 38.28 3fxm h ILE 319 CO 0.14 0.24 2.14 -0.38 0.00 0.00 0.00 178.15 180.29 3fxm n ILE 320 N -4.31 3.19 0.00 -0.67 5.41 -0.95 -4.93 119.36 117.11 3fxm n ILE 320 Ca 0.02 -3.18 0.00 0.00 1.00 0.00 0.00 62.75 60.59 3fxm n ILE 320 Cb 0.22 -2.36 0.00 0.00 -0.71 0.00 0.00 39.64 36.79 3fxm n ILE 320 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 3fxm n LYS 321 N 7.80 0.00 0.00 0.38 4.76 -1.24 -4.99 118.16 124.86 3fxm n LYS 321 Ca 0.49 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.93 3fxm n LYS 321 Cb 0.44 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.63 3fxm n LYS 321 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3fxm n GLY 326 N 0.00 0.00 2.95 0.72 0.00 -1.26 -4.76 105.19 102.83 3fxm n GLY 326 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 3fxm n GLY 326 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3fxm n VAL 327 N 0.00 -9.27 -2.31 1.61 0.31 -1.26 -4.98 118.33 102.43 3fxm n VAL 327 Ca 0.00 1.06 -0.34 0.00 -0.01 0.00 0.00 64.34 65.05 3fxm n VAL 327 Cb 0.00 -6.10 -0.01 0.00 -0.91 0.00 0.00 33.84 26.82 3fxm n VAL 327 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 3fxm s PRO 328 N -2.05 3.47 0.80 5.55 0.04 -1.26 -5.04 135.00 136.51 3fxm s PRO 328 Ca 0.15 1.47 -0.12 0.00 0.04 0.00 0.00 61.00 62.54 3fxm s PRO 328 Cb -0.03 -2.04 0.07 0.00 0.04 0.00 0.00 34.50 32.54 3fxm s PRO 328 CO 0.70 -0.72 1.14 0.16 0.04 0.00 0.00 177.00 178.32 3fxm s ASP 329 N -2.00 4.55 0.26 6.66 -4.77 -1.26 -4.81 116.67 115.31 3fxm s ASP 329 Ca 0.70 0.95 -0.01 0.00 -3.30 0.00 0.00 52.55 50.89 3fxm s ASP 329 Cb -0.20 -1.56 0.56 0.00 -1.09 0.00 0.00 42.92 40.63 3fxm s ASP 329 CO 0.26 -1.90 1.74 0.25 0.70 0.00 0.00 175.17 176.22 3fxm h LEU 330 N -1.04 0.41 -0.48 2.11 5.85 -1.99 -0.36 115.31 119.80 3fxm h LEU 330 Ca -0.47 0.11 0.08 0.00 0.84 0.00 0.00 57.88 58.45 3fxm h LEU 330 Cb 1.31 0.06 -0.07 0.00 0.37 0.00 0.00 40.66 42.33 3fxm h LEU 330 CO 0.64 0.13 0.09 0.58 -0.34 0.00 0.00 178.44 179.54 3fxm h VAL 331 N 0.52 0.73 0.00 1.05 2.07 -2.00 -0.62 116.25 118.00 3fxm h VAL 331 Ca 0.47 -0.07 -0.09 0.00 0.82 0.00 0.00 66.70 67.83 3fxm h VAL 331 Cb 0.74 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 3fxm h VAL 331 CO -0.41 0.04 -0.43 0.45 0.02 0.00 0.00 177.57 177.23 3fxm h HIS 332 N 0.22 0.00 -0.31 1.57 3.86 -1.46 -1.77 115.15 117.25 3fxm h HIS 332 Ca 0.24 0.00 -0.16 0.00 -1.16 0.00 0.00 60.37 59.29 3fxm h HIS 332 Cb 0.32 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.78 3fxm h HIS 332 CO -0.23 0.43 -0.42 0.28 0.86 0.00 0.00 177.93 178.85 3fxm h VAL 333 N 0.00 1.28 -0.41 2.45 2.07 -0.48 -2.33 116.25 118.84 3fxm h VAL 333 Ca -0.00 -1.60 0.01 0.00 0.82 0.00 0.00 66.70 65.93 3fxm h VAL 333 Cb 0.80 1.56 -0.03 0.00 -1.52 0.00 0.00 31.29 32.10 3fxm h VAL 333 CO 0.06 0.52 0.25 0.24 0.02 0.00 0.00 177.57 178.66 3fxm h MET 334 N 0.62 0.49 -0.08 1.57 2.86 -0.83 0.11 114.93 119.67 3fxm h MET 334 Ca 0.04 -0.03 0.04 0.00 -2.06 0.00 0.00 59.70 57.69 3fxm h MET 334 Cb 1.02 -0.11 -0.06 0.00 0.06 0.00 0.00 31.60 32.51 3fxm h MET 334 CO 0.10 0.33 -0.35 -0.09 1.06 0.00 0.00 176.91 177.95 3fxm h ARG 335 N 0.51 -0.45 -0.05 1.72 2.43 -1.31 -0.36 114.38 116.87 3fxm h ARG 335 Ca 0.16 0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.38 3fxm h ARG 335 Cb -0.01 0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.62 3fxm h ARG 335 CO -0.07 -0.30 -0.08 1.15 -1.51 0.00 0.00 179.97 179.16 3fxm h THR 336 N -0.46 0.77 -0.56 0.20 2.02 -1.15 -1.63 112.91 112.10 3fxm h THR 336 Ca 0.08 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.31 3fxm h THR 336 Cb 0.58 0.77 -0.05 0.00 -1.74 0.00 0.00 68.15 67.72 3fxm h THR 336 CO -0.34 0.00 0.29 -0.07 0.37 0.00 0.00 175.52 175.78 3fxm h LEU 337 N -0.12 0.42 -0.36 2.58 3.38 -0.81 -1.86 115.31 118.54 3fxm h LEU 337 Ca 0.05 0.03 0.05 0.00 0.09 0.00 0.00 57.88 58.10 3fxm h LEU 337 Cb 0.19 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 40.84 3fxm h LEU 337 CO -0.12 0.29 0.07 0.00 0.09 0.00 0.00 178.44 178.77 3fxm h ALA 338 N 1.30 0.39 0.00 1.53 0.00 -0.76 -2.07 119.26 119.65 3fxm h ALA 338 Ca 0.25 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.23 3fxm h ALA 338 Cb 0.15 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3fxm h ALA 338 CO -0.16 -0.33 0.00 -1.13 0.00 0.00 0.00 179.25 177.63 3fxm n SER 339 N -5.09 0.00 -0.01 0.00 3.41 -0.64 -1.24 113.62 110.05 3fxm n SER 339 Ca 0.02 -0.25 0.14 0.00 -0.26 0.00 0.00 58.87 58.51 3fxm n SER 339 Cb 0.16 -0.15 0.60 0.00 -0.26 0.00 0.00 64.21 64.56 3fxm n SER 339 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3fxm n GLU 340 N -1.15 0.15 -4.01 4.33 1.02 -0.78 -4.96 120.64 115.24 3fxm n GLU 340 Ca 0.11 -0.02 -0.43 0.00 -0.02 0.00 0.00 57.16 56.79 3fxm n GLU 340 Cb 0.10 -1.50 0.02 0.00 -0.02 0.00 0.00 31.44 30.04 3fxm n GLU 340 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3fxm n ASN 341 N -1.41 -4.11 -4.74 1.62 3.02 -0.37 -4.88 115.26 104.40 3fxm n ASN 341 Ca 0.09 -1.24 -0.42 0.00 -0.03 0.00 0.00 54.58 52.98 3fxm n ASN 341 Cb 0.31 -2.03 -0.02 0.00 -0.61 0.00 0.00 39.78 37.44 3fxm n ASN 341 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3fxm s ILE 342 N -3.56 2.15 0.45 2.41 1.01 -1.26 -5.00 121.20 117.40 3fxm s ILE 342 Ca 0.47 0.12 -0.10 0.00 0.00 0.00 0.00 60.65 61.13 3fxm s ILE 342 Cb -0.24 -3.08 -0.06 0.00 0.01 0.00 0.00 42.46 39.10 3fxm s ILE 342 CO 0.95 0.02 0.82 -2.16 0.00 0.00 0.00 174.94 174.56 3fxm s PRO 343 N -0.12 3.74 -0.81 2.79 0.04 -1.26 -4.39 135.00 134.98 3fxm s PRO 343 Ca 0.65 0.49 0.00 0.00 0.04 0.00 0.00 61.00 62.18 3fxm s PRO 343 Cb -0.47 -2.34 0.00 0.00 0.04 0.00 0.00 34.50 31.73 3fxm s PRO 343 CO 0.44 -0.14 0.00 0.43 0.04 0.00 0.00 177.00 177.77 3fxm n SER 344 N -1.63 -3.45 -4.81 6.66 7.64 -1.26 -5.03 113.62 111.75 3fxm n SER 344 Ca 0.03 0.08 -0.33 0.00 1.01 0.00 0.00 58.87 59.66 3fxm n SER 344 Cb 0.54 -2.33 -0.01 0.00 -1.01 0.00 0.00 64.21 61.40 3fxm n SER 344 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3fxm s LEU 345 N -2.29 3.66 0.29 -3.43 1.43 -1.26 -4.94 118.68 112.13 3fxm s LEU 345 Ca 0.00 1.82 -0.29 0.00 -1.03 0.00 0.00 54.13 54.63 3fxm s LEU 345 Cb 0.00 -4.54 -0.13 0.00 0.03 0.00 0.00 46.19 41.55 3fxm s LEU 345 CO 0.00 -0.92 1.22 -2.65 0.23 0.00 0.00 176.35 174.23 3fxm n PRO 346 N -1.53 1.78 -1.75 1.29 -0.02 -1.26 -4.79 135.00 128.72 3fxm n PRO 346 Ca 0.09 0.63 -0.42 0.00 -2.02 0.00 0.00 63.50 61.77 3fxm n PRO 346 Cb 0.53 -2.15 -0.01 0.00 -0.02 0.00 0.00 33.50 31.84 3fxm n PRO 346 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3fxm n PRO 347 N 1.07 2.68 0.00 0.52 -0.04 -1.26 -1.99 135.00 135.99 3fxm n PRO 347 Ca 0.09 0.95 0.00 0.00 -0.04 0.00 0.00 63.50 64.50 3fxm n PRO 347 Cb 0.33 -2.73 0.00 0.00 -0.04 0.00 0.00 33.50 31.06 3fxm n PRO 347 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3fxm n GLY 348 N 2.02 1.51 0.36 0.55 0.00 -1.26 -3.24 105.19 105.13 3fxm n GLY 348 Ca 0.08 -0.01 0.02 0.00 0.00 0.00 0.00 46.02 46.11 3fxm n GLY 348 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3fxm h GLY 349 N 0.00 1.21 0.00 -0.02 0.00 -1.81 -3.49 103.07 98.97 3fxm h GLY 349 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 47.33 46.91 3fxm h GLY 349 CO 0.00 0.37 0.00 1.18 0.00 0.00 0.00 176.54 178.09 3fxm n GLU 350 N -4.44 0.00 -0.10 4.80 -0.58 -0.84 -2.16 120.64 117.32 3fxm n GLU 350 Ca 0.11 0.00 -0.03 0.00 -0.42 0.00 0.00 57.16 56.82 3fxm n GLU 350 Cb 0.10 0.00 0.19 0.00 -0.57 0.00 0.00 31.44 31.16 3fxm n GLU 350 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 3fxm h LEU 351 N 0.00 0.72 -0.74 -4.62 3.38 -1.93 -2.93 115.31 109.19 3fxm h LEU 351 Ca 0.00 -0.15 0.14 0.00 0.09 0.00 0.00 57.88 57.96 3fxm h LEU 351 Cb 0.00 -0.19 -0.09 0.00 0.09 0.00 0.00 40.66 40.47 3fxm h LEU 351 CO 0.00 0.76 0.29 0.00 0.09 0.00 0.00 178.44 179.58 3fxm h ALA 352 N 1.33 1.03 0.00 1.53 0.00 -1.91 0.11 119.26 121.35 3fxm h ALA 352 Ca 0.15 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3fxm h ALA 352 Cb 0.37 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3fxm h ALA 352 CO 0.01 -0.20 0.00 -1.13 0.00 0.00 0.00 179.25 177.93 3fxm n SER 353 N -5.00 0.00 -0.04 0.00 3.41 -0.92 -2.09 113.62 108.98 3fxm n SER 353 Ca 0.14 0.10 0.01 0.00 -0.26 0.00 0.00 58.87 58.85 3fxm n SER 353 Cb 0.40 -0.23 0.01 0.00 -0.26 0.00 0.00 64.21 64.13 3fxm n SER 353 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3fxm n LYS 354 N -1.23 -0.18 -0.12 4.33 4.76 0.37 -4.75 118.16 121.34 3fxm n LYS 354 Ca 0.04 -0.73 0.03 0.00 -2.87 0.00 0.00 58.31 54.78 3fxm n LYS 354 Cb 0.05 -1.02 0.35 0.00 -1.84 0.00 0.00 35.03 32.57 3fxm n LYS 354 CO 0.00 0.00 0.00 -0.09 -1.37 0.00 0.00 177.40 175.94 3fxm h ARG 355 N 0.20 0.74 -0.13 1.97 2.43 -1.12 -1.54 114.38 116.92 3fxm h ARG 355 Ca 0.00 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.08 3fxm h ARG 355 Cb 0.13 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.50 3fxm h ARG 355 CO 0.00 0.49 -0.11 -0.91 -1.51 0.00 0.00 179.97 177.93 3fxm h ASN 356 N 0.76 0.19 -0.02 -3.80 2.35 -1.85 0.31 115.58 113.52 3fxm h ASN 356 Ca 0.23 -0.03 -0.04 0.00 -0.55 0.00 0.00 56.30 55.91 3fxm h ASN 356 Cb -0.00 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.32 3fxm h ASN 356 CO -0.06 0.33 -0.13 0.58 -1.65 0.00 0.00 177.43 176.50 3fxm h VAL 357 N 0.20 1.53 -0.68 2.81 2.07 -1.66 -2.19 116.25 118.32 3fxm h VAL 357 Ca 0.04 -1.73 0.01 0.00 0.82 0.00 0.00 66.70 65.84 3fxm h VAL 357 Cb 0.32 2.62 -0.03 0.00 -1.52 0.00 0.00 31.29 32.68 3fxm h VAL 357 CO 0.02 0.47 0.45 0.40 0.02 0.00 0.00 177.57 178.92 3fxm h ILE 358 N -0.53 1.17 -0.31 4.57 2.04 -1.21 -2.83 117.51 120.41 3fxm h ILE 358 Ca -0.01 -0.31 -0.10 0.00 1.00 0.00 0.00 64.86 65.43 3fxm h ILE 358 Cb 0.83 0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 37.08 3fxm h ILE 358 CO 0.03 0.17 -0.21 -0.08 0.00 0.00 0.00 178.15 178.05 3fxm h GLU 359 N 0.91 0.68 -0.48 2.37 4.81 -0.47 -1.12 114.58 121.28 3fxm h GLU 359 Ca 0.25 -0.33 0.02 0.00 -0.13 0.00 0.00 59.36 59.18 3fxm h GLU 359 Cb -0.10 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.25 3fxm h GLU 359 CO -0.06 0.93 0.32 0.00 -0.73 0.00 0.00 179.01 179.47 3fxm h ALA 360 N 0.74 1.75 -0.03 2.92 0.00 -1.31 -0.35 119.26 122.98 3fxm h ALA 360 Ca 0.06 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 3fxm h ALA 360 Cb 0.76 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.39 3fxm h ALA 360 CO 0.06 0.20 -0.25 0.28 0.00 0.00 0.00 179.25 179.55 3fxm h VAL 361 N 0.57 1.48 -0.88 0.00 2.07 -1.37 -1.58 116.25 116.54 3fxm h VAL 361 Ca 0.19 -1.78 0.20 0.00 0.82 0.00 0.00 66.70 66.14 3fxm h VAL 361 Cb 0.06 2.53 -0.12 0.00 -1.52 0.00 0.00 31.29 32.24 3fxm h VAL 361 CO -0.05 0.49 0.40 0.22 0.02 0.00 0.00 177.57 178.65 3fxm h TYR 362 N -0.36 0.67 -0.19 1.57 5.03 -0.71 -1.92 116.97 121.06 3fxm h TYR 362 Ca -0.02 0.04 -0.08 0.00 2.58 0.00 0.00 58.73 61.25 3fxm h TYR 362 Cb 0.93 -0.16 -0.00 0.00 1.55 0.00 0.00 36.73 39.05 3fxm h TYR 362 CO 0.15 -0.00 -0.19 -0.91 -1.32 0.00 0.00 178.16 175.89 3fxm h ASN 363 N 0.44 0.49 -1.08 -2.11 2.35 -0.99 0.63 115.58 115.31 3fxm h ASN 363 Ca 0.54 -0.48 0.30 0.00 -0.55 0.00 0.00 56.30 56.10 3fxm h ASN 363 Cb 0.97 -0.14 -0.11 0.00 0.05 0.00 0.00 38.32 39.09 3fxm h ASN 363 CO -0.49 0.88 0.68 0.03 -1.65 0.00 0.00 177.43 176.87 3fxm h ARG 364 N 0.12 0.35 0.04 0.81 3.08 -0.54 -2.56 114.38 115.68 3fxm h ARG 364 Ca 0.03 -0.02 -0.35 0.00 0.07 0.00 0.00 59.98 59.71 3fxm h ARG 364 Cb 0.74 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.67 3fxm h ARG 364 CO 0.05 0.23 -1.96 1.28 -1.07 0.00 0.00 179.97 178.50 3fxm n LEU 365 N -4.71 2.33 -3.46 3.04 4.77 -0.83 -4.63 117.00 113.51 3fxm n LEU 365 Ca 0.28 0.24 -0.28 0.00 -0.03 0.00 0.00 56.01 56.22 3fxm n LEU 365 Cb 0.97 -0.98 -0.07 0.00 -2.33 0.00 0.00 43.42 41.00 3fxm n LEU 365 CO 0.22 0.64 0.17 -3.20 -1.33 0.00 0.00 177.39 173.89 3fxm n ASN 366 N -3.88 4.00 0.00 -1.43 5.15 0.19 -4.97 115.26 114.33 3fxm n ASN 366 Ca -0.39 -3.45 0.09 0.00 -0.60 0.00 0.00 54.58 50.24 3fxm n ASN 366 Cb 0.90 -0.72 0.55 0.00 -0.53 0.00 0.00 39.78 39.98 3fxm n ASN 366 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 3fxm n PRO 367 N 0.86 0.57 0.00 1.20 -0.04 -0.97 -4.64 135.00 131.99 3fxm n PRO 367 Ca 0.30 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.83 3fxm n PRO 367 Cb 0.40 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.42 3fxm n PRO 367 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12