#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fxy s GLN 23 N 0.00 3.28 -0.24 -0.72 -1.52 0.07 -4.96 119.66 115.56 3fxy s GLN 23 Ca 0.00 -0.37 -0.01 0.00 -1.95 0.00 0.00 55.36 53.03 3fxy s GLN 23 Cb 0.00 -3.00 0.07 0.00 -0.22 0.00 0.00 33.01 29.86 3fxy s GLN 23 CO 0.00 0.67 0.02 -1.17 -0.25 0.00 0.00 175.29 174.56 3fxy s LEU 24 N -1.75 2.02 -0.22 2.90 2.96 -1.26 -1.44 118.68 121.89 3fxy s LEU 24 Ca 0.24 -1.18 -0.04 0.00 -0.22 0.00 0.00 54.13 52.93 3fxy s LEU 24 Cb -0.12 -0.89 -0.01 0.00 0.50 0.00 0.00 46.19 45.66 3fxy s LEU 24 CO 0.15 -0.31 -0.03 -0.89 -1.32 0.00 0.00 176.35 173.95 3fxy s THR 25 N 1.61 3.47 -0.20 3.68 2.01 -0.48 -0.12 115.64 125.61 3fxy s THR 25 Ca 0.00 -0.46 -0.01 0.00 0.31 0.00 0.00 61.69 61.53 3fxy s THR 25 Cb -0.18 -2.58 0.01 0.00 0.01 0.00 0.00 72.50 69.76 3fxy s THR 25 CO -0.11 0.41 -0.13 0.00 -0.69 0.00 0.00 174.62 174.10 3fxy s TYR 27 N 1.37 3.58 -0.11 0.00 2.02 -0.60 -1.36 117.35 122.26 3fxy s TYR 27 Ca 0.05 1.64 -0.03 0.00 -0.37 0.00 0.00 57.07 58.36 3fxy s TYR 27 Cb -0.14 -3.16 -0.03 0.00 -0.40 0.00 0.00 41.96 38.23 3fxy s TYR 27 CO -0.09 -0.15 0.01 0.12 -1.57 0.00 0.00 175.55 173.87 3fxy s PHE 28 N 1.48 3.16 -0.13 2.71 5.36 0.73 -1.02 117.98 130.26 3fxy s PHE 28 Ca 0.51 0.12 -0.01 0.00 -0.96 0.00 0.00 56.93 56.59 3fxy s PHE 28 Cb -0.20 -1.84 -0.02 0.00 -0.34 0.00 0.00 43.02 40.62 3fxy s PHE 28 CO 0.23 0.38 -0.09 0.95 -1.46 0.00 0.00 175.22 175.23 3fxy s THR 29 N -0.59 3.41 -2.00 0.12 -4.23 -1.26 -0.60 115.64 110.48 3fxy s THR 29 Ca 0.10 -0.54 0.17 0.00 -1.18 0.00 0.00 61.69 60.24 3fxy s THR 29 Cb -0.12 -2.45 0.48 0.00 1.34 0.00 0.00 72.50 71.75 3fxy s THR 29 CO 0.02 0.52 1.49 -0.46 -0.54 0.00 0.00 174.62 175.65 3fxy n ASN 30 N 3.39 0.00 -0.12 3.99 6.94 0.29 -2.48 115.26 127.27 3fxy n ASN 30 Ca -0.18 -1.02 0.09 0.00 -0.02 0.00 0.00 54.58 53.45 3fxy n ASN 30 Cb 0.53 0.00 -0.07 0.00 -2.36 0.00 0.00 39.78 37.87 3fxy n ASN 30 CO 0.00 0.00 0.00 -2.67 -1.03 0.00 0.00 177.26 173.56 3fxy n TRP 31 N -0.84 0.00 0.28 -2.53 2.14 -1.26 -4.38 117.44 110.85 3fxy n TRP 31 Ca 0.13 0.00 0.16 0.00 2.07 0.00 0.00 57.50 59.85 3fxy n TRP 31 Cb 0.06 0.00 0.81 0.00 -0.81 0.00 0.00 31.31 31.37 3fxy n TRP 31 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 3fxy h ALA 32 N 2.77 1.15 -0.29 -1.67 0.00 -1.75 -2.49 119.26 116.99 3fxy h ALA 32 Ca 0.00 -0.07 0.08 0.00 0.00 0.00 0.00 54.91 54.93 3fxy h ALA 32 Cb 0.49 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 3fxy h ALA 32 CO 0.00 0.09 0.32 -0.56 0.00 0.00 0.00 179.25 179.10 3fxy h GLN 33 N 0.00 0.00 -0.01 0.00 3.07 -1.75 -2.72 115.11 113.70 3fxy h GLN 33 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 3fxy h GLN 33 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.88 3fxy h GLN 33 CO 0.01 0.00 -0.23 0.66 0.09 0.00 0.00 178.83 179.36 3fxy n TYR 34 N -3.75 0.00 -2.43 0.06 4.01 -0.94 -4.73 117.16 109.38 3fxy n TYR 34 Ca 0.04 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.39 3fxy n TYR 34 Cb 0.47 -0.13 -0.04 0.00 -0.31 0.00 0.00 39.34 39.33 3fxy n TYR 34 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 3fxy s ARG 35 N -2.49 4.38 0.55 -0.72 0.52 -1.10 -5.00 118.95 115.10 3fxy s ARG 35 Ca 0.25 1.76 -0.18 0.00 -0.52 0.00 0.00 55.73 57.04 3fxy s ARG 35 Cb 0.19 -2.91 -0.05 0.00 0.52 0.00 0.00 34.95 32.70 3fxy s ARG 35 CO 0.51 -0.01 1.07 -1.25 0.02 0.00 0.00 175.30 175.63 3fxy s PRO 36 N -1.91 3.46 3.60 3.54 0.04 -1.26 -2.92 135.00 139.56 3fxy s PRO 36 Ca 0.51 1.34 0.00 0.00 0.04 0.00 0.00 61.00 62.89 3fxy s PRO 36 Cb -0.30 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.20 3fxy s PRO 36 CO 0.38 -0.71 0.00 0.41 0.04 0.00 0.00 177.00 177.12 3fxy n GLY 37 N -0.49 3.08 0.00 0.56 0.00 -1.26 -1.27 105.19 105.81 3fxy n GLY 37 Ca 0.10 0.08 0.06 0.00 0.00 0.00 0.00 46.02 46.25 3fxy n GLY 37 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3fxy n LEU 38 N 0.00 0.00 0.12 0.99 4.77 -1.26 -2.45 117.00 119.17 3fxy n LEU 38 Ca 0.00 0.31 0.04 0.00 -0.03 0.00 0.00 56.01 56.33 3fxy n LEU 38 Cb 0.00 -0.31 0.02 0.00 -2.33 0.00 0.00 43.42 40.80 3fxy n LEU 38 CO 0.00 -0.19 0.27 1.23 -1.33 0.00 0.00 177.39 177.37 3fxy h GLY 39 N 1.94 0.00 -5.07 -0.72 0.00 -1.44 -3.47 103.07 94.31 3fxy h GLY 39 Ca 0.00 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 46.77 3fxy h GLY 39 CO 0.00 0.00 0.99 -2.13 0.00 0.00 0.00 176.54 175.40 3fxy n ARG 40 N -3.05 2.48 -3.86 4.80 0.63 -1.03 -4.72 116.66 111.92 3fxy n ARG 40 Ca -0.01 0.90 -0.26 0.00 -0.92 0.00 0.00 57.85 57.56 3fxy n ARG 40 Cb 0.71 -2.74 -0.17 0.00 0.45 0.00 0.00 32.46 30.71 3fxy n ARG 40 CO 0.00 0.00 0.00 0.12 -2.51 0.00 0.00 177.63 175.24 3fxy s PHE 41 N 2.13 1.26 0.34 -0.14 5.36 -1.05 -4.98 117.98 120.91 3fxy s PHE 41 Ca 0.82 -0.63 0.08 0.00 -0.96 0.00 0.00 56.93 56.24 3fxy s PHE 41 Cb -0.58 -1.11 -0.05 0.00 -0.34 0.00 0.00 43.02 40.94 3fxy s PHE 41 CO 0.39 -0.48 0.10 -1.64 -1.46 0.00 0.00 175.22 172.13 3fxy s MET 42 N 1.78 2.27 0.33 10.12 -1.94 -1.26 -3.12 119.30 127.48 3fxy s MET 42 Ca 0.04 -1.62 0.08 0.00 -1.71 0.00 0.00 55.69 52.48 3fxy s MET 42 Cb -0.13 -2.09 0.79 0.00 2.01 0.00 0.00 34.83 35.41 3fxy s MET 42 CO -0.07 0.11 1.81 -1.35 -0.01 0.00 0.00 175.02 175.51 3fxy h PRO 43 N 1.63 0.70 0.00 2.03 0.11 -1.94 -0.54 132.00 134.00 3fxy h PRO 43 Ca -0.43 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3fxy h PRO 43 Cb 1.25 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3fxy h PRO 43 CO 0.65 0.47 0.00 -0.25 -0.21 0.00 0.00 178.00 178.65 3fxy n ASP 44 N -4.66 0.00 -0.10 -2.05 8.00 -1.26 -1.79 116.55 114.69 3fxy n ASP 44 Ca 0.21 0.07 0.14 0.00 0.71 0.00 0.00 54.79 55.92 3fxy n ASP 44 Cb 0.55 -0.28 0.59 0.00 -0.02 0.00 0.00 41.12 41.97 3fxy n ASP 44 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3fxy n ASP 45 N -1.28 0.42 -4.69 -2.24 8.00 -0.21 -4.83 116.55 111.72 3fxy n ASP 45 Ca 0.07 -0.45 -0.42 0.00 0.71 0.00 0.00 54.79 54.70 3fxy n ASP 45 Cb 0.11 -0.09 -0.03 0.00 -0.02 0.00 0.00 41.12 41.09 3fxy n ASP 45 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3fxy s ILE 46 N -2.55 4.86 -0.30 0.53 1.01 -0.74 -5.01 121.20 118.99 3fxy s ILE 46 Ca 0.26 1.86 -0.29 0.00 0.00 0.00 0.00 60.65 62.49 3fxy s ILE 46 Cb 0.20 -4.23 -0.01 0.00 0.01 0.00 0.00 42.46 38.42 3fxy s ILE 46 CO 0.49 0.07 1.55 0.21 0.00 0.00 0.00 174.94 177.26 3fxy s ASN 47 N 1.06 6.32 0.62 3.58 3.84 -1.26 -4.90 114.94 124.19 3fxy s ASN 47 Ca 0.45 1.30 0.41 0.00 0.21 0.00 0.00 52.86 55.23 3fxy s ASN 47 Cb -0.18 -2.53 2.14 0.00 -0.55 0.00 0.00 41.25 40.12 3fxy s ASN 47 CO 0.18 -1.36 2.25 1.55 -2.79 0.00 0.00 177.10 176.93 3fxy h PRO 48 N 10.91 0.00 -0.58 0.43 0.13 -1.95 -2.12 132.00 138.82 3fxy h PRO 48 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 3fxy h PRO 48 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 3fxy h PRO 48 CO 1.03 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.80 3fxy h LEU 50 N 4.28 0.15 -9.64 0.00 5.85 -1.79 -3.48 115.31 110.68 3fxy h LEU 50 Ca 0.00 -0.83 -0.55 0.00 0.84 0.00 0.00 57.88 57.34 3fxy h LEU 50 Cb 0.96 -0.05 -0.09 0.00 0.37 0.00 0.00 40.66 41.86 3fxy h LEU 50 CO 0.00 1.33 -0.61 0.00 -0.34 0.00 0.00 178.44 178.82 3fxy h THR 52 N 1.77 0.81 -4.21 0.00 1.35 -0.89 -3.47 112.91 108.29 3fxy h THR 52 Ca -0.44 -2.61 -0.51 0.00 -0.55 0.00 0.00 66.41 62.29 3fxy h THR 52 Cb 1.25 2.48 -0.28 0.00 -1.73 0.00 0.00 68.15 69.87 3fxy h THR 52 CO 0.61 0.64 -0.82 -1.00 -0.25 0.00 0.00 175.52 174.71 3fxy s HIS 53 N -2.59 1.44 -0.05 4.73 3.76 -0.82 -2.40 115.29 119.35 3fxy s HIS 53 Ca -0.10 -0.30 0.06 0.00 -0.15 0.00 0.00 55.06 54.57 3fxy s HIS 53 Cb 0.08 -0.90 -0.01 0.00 1.11 0.00 0.00 32.58 32.85 3fxy s HIS 53 CO 0.81 0.00 -0.23 -0.51 -0.85 0.00 0.00 174.74 173.97 3fxy s LEU 54 N -0.63 2.02 -0.11 0.89 1.43 -0.34 -0.97 118.68 120.98 3fxy s LEU 54 Ca 0.05 -0.47 0.03 0.00 -1.03 0.00 0.00 54.13 52.72 3fxy s LEU 54 Cb -0.07 -1.26 0.01 0.00 0.03 0.00 0.00 46.19 44.90 3fxy s LEU 54 CO 0.00 0.22 -0.20 -0.63 0.23 0.00 0.00 176.35 175.96 3fxy s ILE 55 N -0.10 1.85 -0.34 -0.59 1.01 -0.46 -0.73 121.20 121.84 3fxy s ILE 55 Ca -0.04 -0.88 -0.19 0.00 0.00 0.00 0.00 60.65 59.55 3fxy s ILE 55 Cb -0.13 -1.63 -0.00 0.00 0.01 0.00 0.00 42.46 40.71 3fxy s ILE 55 CO 0.03 0.51 0.57 -0.47 0.00 0.00 0.00 174.94 175.59 3fxy s TYR 56 N 0.64 3.18 -0.17 3.97 5.04 -0.01 -0.20 117.35 129.79 3fxy s TYR 56 Ca -0.13 0.31 -0.04 0.00 -2.44 0.00 0.00 57.07 54.78 3fxy s TYR 56 Cb -0.16 -3.00 -0.02 0.00 0.35 0.00 0.00 41.96 39.12 3fxy s TYR 56 CO 0.03 -0.55 -0.03 0.00 -1.34 0.00 0.00 175.55 173.67 3fxy s ALA 57 N 2.53 2.99 0.10 3.97 0.00 0.23 -0.19 121.76 131.39 3fxy s ALA 57 Ca 0.22 -0.90 0.02 0.00 0.00 0.00 0.00 51.96 51.30 3fxy s ALA 57 Cb -0.15 -1.63 -0.04 0.00 0.00 0.00 0.00 23.12 21.30 3fxy s ALA 57 CO 0.13 0.05 -0.07 -0.06 0.00 0.00 0.00 175.76 175.81 3fxy s PHE 58 N 0.65 0.94 0.33 0.00 0.40 -1.26 -0.55 117.98 118.49 3fxy s PHE 58 Ca -0.02 -0.88 -0.00 0.00 -0.60 0.00 0.00 56.93 55.43 3fxy s PHE 58 Cb -0.14 -0.53 -0.04 0.00 0.51 0.00 0.00 43.02 42.82 3fxy s PHE 58 CO 0.02 -0.11 0.53 0.00 0.70 0.00 0.00 175.22 176.36 3fxy s ALA 59 N -3.53 3.70 0.00 5.36 0.00 0.21 -4.49 121.76 123.01 3fxy s ALA 59 Ca 0.12 -0.87 0.00 0.00 0.00 0.00 0.00 51.96 51.21 3fxy s ALA 59 Cb 0.05 -2.12 0.00 0.00 0.00 0.00 0.00 23.12 21.05 3fxy s ALA 59 CO -0.04 0.04 0.00 0.41 0.00 0.00 0.00 175.76 176.17 3fxy n GLY 60 N -1.61 5.69 3.22 0.00 0.00 0.30 -2.30 105.19 110.49 3fxy n GLY 60 Ca -0.05 -2.01 -0.13 0.00 0.00 0.00 0.00 46.02 43.84 3fxy n GLY 60 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3fxy s MET 61 N 1.78 0.39 -0.03 1.61 1.75 -1.26 -1.82 119.30 121.71 3fxy s MET 61 Ca 0.00 0.50 -0.01 0.00 -1.25 0.00 0.00 55.69 54.93 3fxy s MET 61 Cb 0.00 0.16 0.03 0.00 2.84 0.00 0.00 34.83 37.86 3fxy s MET 61 CO 0.00 -0.06 0.03 -0.65 -0.65 0.00 0.00 175.02 173.69 3fxy s GLN 62 N 0.32 0.03 -1.48 4.11 -0.21 -0.13 -4.90 119.66 117.40 3fxy s GLN 62 Ca -0.01 0.22 -0.04 0.00 0.02 0.00 0.00 55.36 55.55 3fxy s GLN 62 Cb -0.03 -0.39 0.03 0.00 1.00 0.00 0.00 33.01 33.62 3fxy s GLN 62 CO -0.01 -0.22 0.44 0.09 -2.12 0.00 0.00 175.29 173.48 3fxy n ASN 63 N 4.54 -0.78 -1.63 5.90 3.02 -1.26 -1.39 115.26 123.67 3fxy n ASN 63 Ca -0.20 -1.04 -0.17 0.00 -0.03 0.00 0.00 54.58 53.15 3fxy n ASN 63 Cb 0.50 -2.83 -0.04 0.00 -0.61 0.00 0.00 39.78 36.81 3fxy n ASN 63 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3fxy n ASN 64 N -2.91 -4.97 -4.09 6.41 3.02 -1.26 -4.96 115.26 106.50 3fxy n ASN 64 Ca -0.23 0.18 -0.22 0.00 -0.03 0.00 0.00 54.58 54.27 3fxy n ASN 64 Cb 0.65 -4.02 -0.15 0.00 -0.61 0.00 0.00 39.78 35.65 3fxy n ASN 64 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3fxy s GLU 65 N -4.19 1.13 0.32 3.52 2.02 -0.49 -2.32 118.70 118.69 3fxy s GLU 65 Ca 0.00 -0.47 -0.29 0.00 0.02 0.00 0.00 54.97 54.23 3fxy s GLU 65 Cb 0.00 -1.08 -0.10 0.00 0.10 0.00 0.00 34.13 33.05 3fxy s GLU 65 CO 0.00 0.26 1.39 -1.50 0.02 0.00 0.00 175.26 175.44 3fxy s ILE 66 N -0.22 2.52 0.19 -1.63 2.07 -1.26 -0.96 121.20 121.90 3fxy s ILE 66 Ca 0.03 0.49 -0.00 0.00 -1.41 0.00 0.00 60.65 59.76 3fxy s ILE 66 Cb -0.06 -3.32 -0.04 0.00 0.13 0.00 0.00 42.46 39.17 3fxy s ILE 66 CO -0.00 0.11 0.09 0.42 -1.91 0.00 0.00 174.94 173.65 3fxy s THR 67 N -0.79 0.18 0.96 4.00 -4.23 -0.76 -4.85 115.64 110.14 3fxy s THR 67 Ca 0.53 -1.97 -0.13 0.00 -1.18 0.00 0.00 61.69 58.94 3fxy s THR 67 Cb -0.42 -2.35 0.16 0.00 1.34 0.00 0.00 72.50 71.23 3fxy s THR 67 CO 0.53 -0.18 1.14 0.42 -0.54 0.00 0.00 174.62 175.98 3fxy s THR 68 N -4.02 1.96 0.00 3.99 -4.23 -1.26 -0.54 115.64 111.54 3fxy s THR 68 Ca 0.33 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.84 3fxy s THR 68 Cb 0.07 -2.71 0.00 0.00 1.34 0.00 0.00 72.50 71.20 3fxy s THR 68 CO 0.08 0.00 0.00 -0.38 -0.54 0.00 0.00 174.62 173.78 3fxy n ILE 69 N -3.92 0.00 -4.04 2.99 5.41 -1.26 -4.30 119.36 114.25 3fxy n ILE 69 Ca 0.08 0.00 -0.32 0.00 1.00 0.00 0.00 62.75 63.51 3fxy n ILE 69 Cb 0.59 -0.49 -0.06 0.00 -0.71 0.00 0.00 39.64 38.97 3fxy n ILE 69 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 176.55 174.94 3fxy s GLU 70 N -1.60 3.10 0.42 0.38 0.41 -1.26 -5.01 118.70 115.15 3fxy s GLU 70 Ca 0.00 -0.53 0.18 0.00 -0.41 0.00 0.00 54.97 54.21 3fxy s GLU 70 Cb 0.00 -2.87 1.10 0.00 -1.78 0.00 0.00 34.13 30.58 3fxy s GLU 70 CO 0.00 0.62 1.86 0.11 -0.49 0.00 0.00 175.26 177.36 3fxy h TRP 71 N 3.66 0.52 -0.46 1.61 5.08 -1.99 -2.23 115.95 122.13 3fxy h TRP 71 Ca -0.48 0.02 0.00 0.00 1.08 0.00 0.00 58.89 59.51 3fxy h TRP 71 Cb 1.17 -0.16 0.00 0.00 -3.00 0.00 0.00 29.16 27.17 3fxy h TRP 71 CO 0.63 0.14 0.00 0.27 -1.28 0.00 0.00 178.44 178.20 3fxy n ASN 72 N -4.50 4.01 -0.35 0.11 6.94 -1.26 -4.71 115.26 115.49 3fxy n ASN 72 Ca 0.19 -2.46 0.12 0.00 -0.02 0.00 0.00 54.58 52.41 3fxy n ASN 72 Cb 0.70 -0.47 0.30 0.00 -2.36 0.00 0.00 39.78 37.96 3fxy n ASN 72 CO 0.00 0.00 0.00 0.44 -1.03 0.00 0.00 177.26 176.67 3fxy h ASP 73 N 2.92 0.79 -0.62 0.53 3.32 -1.81 -1.73 116.42 119.83 3fxy h ASP 73 Ca 0.00 0.09 -0.03 0.00 0.02 0.00 0.00 57.03 57.11 3fxy h ASP 73 Cb 1.24 -0.06 -0.03 0.00 0.22 0.00 0.00 39.33 40.70 3fxy h ASP 73 CO 0.16 0.31 0.26 0.58 -1.72 0.00 0.00 179.24 178.83 3fxy h VAL 74 N 0.80 1.23 -0.49 -1.35 2.07 -1.84 0.42 116.25 117.08 3fxy h VAL 74 Ca 0.56 -0.68 -0.02 0.00 0.82 0.00 0.00 66.70 67.37 3fxy h VAL 74 Cb 0.81 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 3fxy h VAL 74 CO -0.36 0.27 0.22 0.74 0.02 0.00 0.00 177.57 178.46 3fxy h THR 75 N 0.86 1.20 -0.49 2.57 2.02 -1.74 -2.27 112.91 115.06 3fxy h THR 75 Ca 0.21 -0.58 -0.11 0.00 0.77 0.00 0.00 66.41 66.70 3fxy h THR 75 Cb 0.17 0.67 -0.02 0.00 -1.74 0.00 0.00 68.15 67.24 3fxy h THR 75 CO -0.02 0.22 -0.13 -0.07 0.37 0.00 0.00 175.52 175.89 3fxy h LEU 76 N 0.65 0.92 -0.56 2.58 3.38 -0.88 -2.45 115.31 118.94 3fxy h LEU 76 Ca 0.17 -0.30 0.06 0.00 0.09 0.00 0.00 57.88 57.90 3fxy h LEU 76 Cb 0.14 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.59 3fxy h LEU 76 CO -0.02 1.05 0.26 1.88 0.09 0.00 0.00 178.44 181.70 3fxy h TYR 77 N 0.81 0.48 -0.41 1.13 0.05 -0.04 0.19 116.97 119.18 3fxy h TYR 77 Ca 0.13 0.02 -0.02 0.00 0.05 0.00 0.00 58.73 58.91 3fxy h TYR 77 Cb 0.66 -0.13 -0.02 0.00 1.01 0.00 0.00 36.73 38.25 3fxy h TYR 77 CO 0.04 0.21 0.18 1.96 -1.05 0.00 0.00 178.16 179.50 3fxy h GLN 78 N 0.50 0.60 -0.53 4.88 4.20 -1.23 0.35 115.11 123.88 3fxy h GLN 78 Ca 0.26 -0.10 -0.09 0.00 0.06 0.00 0.00 58.65 58.78 3fxy h GLN 78 Cb 0.21 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.87 3fxy h GLN 78 CO -0.20 0.54 -0.02 0.00 -0.67 0.00 0.00 178.83 178.48 3fxy h ALA 79 N 1.03 0.71 0.26 3.87 0.00 -1.20 -1.20 119.26 122.73 3fxy h ALA 79 Ca 0.14 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 3fxy h ALA 79 Cb 0.15 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3fxy h ALA 79 CO -0.02 0.55 -0.12 0.35 0.00 0.00 0.00 179.25 180.01 3fxy h PHE 80 N 0.81 -0.32 0.00 0.00 3.04 -0.41 -2.97 116.94 117.09 3fxy h PHE 80 Ca 0.15 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.09 3fxy h PHE 80 Cb 0.55 0.11 0.00 0.00 2.56 0.00 0.00 35.95 39.17 3fxy h PHE 80 CO 0.04 -0.14 0.00 -0.91 -2.02 0.00 0.00 178.31 175.28 3fxy h ASN 81 N -0.43 0.00 0.38 0.41 2.35 -0.97 -2.84 115.58 114.48 3fxy h ASN 81 Ca -0.04 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.70 3fxy h ASN 81 Cb 0.33 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.70 3fxy h ASN 81 CO 0.06 0.00 -0.08 1.23 -1.65 0.00 0.00 177.43 176.99 3fxy h GLY 82 N 3.46 0.00 2.00 2.83 0.00 -1.05 -2.89 103.07 107.42 3fxy h GLY 82 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 3fxy h GLY 82 CO 0.00 0.00 -0.02 1.41 0.00 0.00 0.00 176.54 177.93 3fxy h LEU 83 N 0.00 0.00 -2.09 3.11 3.38 -1.43 -1.87 115.31 116.41 3fxy h LEU 83 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3fxy h LEU 83 Cb 0.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 3fxy h LEU 83 CO 0.01 0.02 0.00 0.11 0.09 0.00 0.00 178.44 178.67 3fxy h LYS 84 N 0.00 0.00 0.00 1.13 1.57 -1.72 -1.78 116.57 115.77 3fxy h LYS 84 Ca -0.00 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 3fxy h LYS 84 Cb 0.04 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.35 3fxy h LYS 84 CO 0.00 0.00 -0.08 -0.91 -0.57 0.00 0.00 179.45 177.89 3fxy h ASN 85 N 0.00 0.00 0.04 0.86 2.35 -1.55 -2.98 115.58 114.30 3fxy h ASN 85 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3fxy h ASN 85 Cb 0.24 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.61 3fxy h ASN 85 CO 0.00 0.08 -0.67 0.29 -1.65 0.00 0.00 177.43 175.48 3fxy n LYS 86 N -3.86 0.63 -3.41 0.81 5.02 -0.67 -4.81 118.16 111.87 3fxy n LYS 86 Ca -0.02 -0.50 -0.14 0.00 -2.02 0.00 0.00 58.31 55.62 3fxy n LYS 86 Cb 0.17 -1.49 -0.10 0.00 -0.02 0.00 0.00 35.03 33.59 3fxy n LYS 86 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 3fxy s ASN 87 N -2.72 1.03 0.00 4.39 3.84 -1.13 -4.35 114.94 116.00 3fxy s ASN 87 Ca 0.14 -0.22 0.21 0.00 0.21 0.00 0.00 52.86 53.20 3fxy s ASN 87 Cb 0.17 0.70 1.12 0.00 -0.55 0.00 0.00 41.25 42.69 3fxy s ASN 87 CO 0.69 -0.34 1.66 -1.54 -2.79 0.00 0.00 177.10 174.79 3fxy n SER 88 N 5.33 0.00 -0.00 -4.21 3.41 -0.40 -2.54 113.62 115.21 3fxy n SER 88 Ca -0.04 -0.22 0.04 0.00 -0.26 0.00 0.00 58.87 58.40 3fxy n SER 88 Cb 0.49 -0.20 -0.05 0.00 -0.26 0.00 0.00 64.21 64.20 3fxy n SER 88 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3fxy n GLN 89 N -1.20 4.19 -2.00 4.33 1.13 -1.26 -5.01 117.38 117.56 3fxy n GLN 89 Ca 0.12 -0.01 -0.42 0.00 -1.94 0.00 0.00 57.00 54.75 3fxy n GLN 89 Cb 0.14 -0.90 -0.03 0.00 0.11 0.00 0.00 30.24 29.56 3fxy n GLN 89 CO 0.00 0.00 0.00 -1.17 -1.44 0.00 0.00 177.06 174.45 3fxy s LEU 90 N -2.38 4.37 0.04 1.08 2.96 -1.05 -4.93 118.68 118.76 3fxy s LEU 90 Ca 0.03 2.52 0.08 0.00 -0.22 0.00 0.00 54.13 56.54 3fxy s LEU 90 Cb 0.06 -3.59 -0.03 0.00 0.50 0.00 0.00 46.19 43.14 3fxy s LEU 90 CO 0.34 -0.78 -0.23 -0.54 -1.32 0.00 0.00 176.35 173.82 3fxy s LYS 91 N 1.29 1.95 0.07 1.98 1.02 -1.01 -4.89 119.74 120.16 3fxy s LYS 91 Ca 0.69 -1.03 0.08 0.00 0.02 0.00 0.00 55.97 55.73 3fxy s LYS 91 Cb -0.41 -2.08 -0.03 0.00 -0.52 0.00 0.00 37.83 34.78 3fxy s LYS 91 CO 0.31 0.53 -0.20 0.95 -0.92 0.00 0.00 175.35 176.02 3fxy s THR 92 N -0.84 2.64 0.08 2.17 -4.23 -1.26 -1.20 115.64 113.01 3fxy s THR 92 Ca 0.13 -1.37 0.03 0.00 -1.18 0.00 0.00 61.69 59.30 3fxy s THR 92 Cb -0.10 -2.14 -0.03 0.00 1.34 0.00 0.00 72.50 71.57 3fxy s THR 92 CO 0.03 0.25 -0.09 -0.76 -0.54 0.00 0.00 174.62 173.50 3fxy s LEU 93 N -1.67 2.36 -0.18 4.79 1.02 0.09 -0.09 118.68 125.00 3fxy s LEU 93 Ca 0.15 -0.74 -0.06 0.00 0.02 0.00 0.00 54.13 53.50 3fxy s LEU 93 Cb -0.10 -0.26 -0.03 0.00 0.02 0.00 0.00 46.19 45.81 3fxy s LEU 93 CO 0.06 -0.25 0.03 -0.22 0.02 0.00 0.00 176.35 175.99 3fxy s LEU 94 N -2.20 3.55 -0.17 1.79 2.96 -0.55 -0.83 118.68 123.22 3fxy s LEU 94 Ca 0.01 -0.04 -0.17 0.00 -0.22 0.00 0.00 54.13 53.71 3fxy s LEU 94 Cb -0.05 -1.89 -0.04 0.00 0.50 0.00 0.00 46.19 44.71 3fxy s LEU 94 CO -0.00 0.14 0.43 0.00 -1.32 0.00 0.00 176.35 175.60 3fxy s ALA 95 N 0.57 3.53 -0.15 5.97 0.00 0.73 -0.64 121.76 131.77 3fxy s ALA 95 Ca 0.01 -0.38 -0.05 0.00 0.00 0.00 0.00 51.96 51.54 3fxy s ALA 95 Cb -0.13 -2.63 -0.03 0.00 0.00 0.00 0.00 23.12 20.32 3fxy s ALA 95 CO 0.02 -0.16 0.01 -1.50 0.00 0.00 0.00 175.76 174.13 3fxy s ILE 96 N 1.00 4.35 0.00 0.00 2.07 -0.56 0.66 121.20 128.73 3fxy s ILE 96 Ca 0.22 -0.20 0.00 0.00 -1.41 0.00 0.00 60.65 59.26 3fxy s ILE 96 Cb -0.15 -2.92 0.00 0.00 0.13 0.00 0.00 42.46 39.53 3fxy s ILE 96 CO 0.08 0.50 0.00 0.61 -1.91 0.00 0.00 174.94 174.23 3fxy n GLY 97 N 3.25 0.23 0.00 1.50 0.00 -0.97 -0.97 105.19 108.24 3fxy n GLY 97 Ca -0.17 -1.29 0.00 0.00 0.00 0.00 0.00 46.02 44.56 3fxy n GLY 97 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fxy n GLY 98 N 0.00 0.48 0.39 -0.02 0.00 -0.61 -4.50 105.19 100.93 3fxy n GLY 98 Ca 0.00 -2.12 -0.16 0.00 0.00 0.00 0.00 46.02 43.74 3fxy n GLY 98 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 3fxy h TRP 99 N 0.00 -0.88 -0.27 1.61 2.91 -1.94 -3.26 115.95 114.12 3fxy h TRP 99 Ca 0.00 -0.02 0.04 0.00 1.13 0.00 0.00 58.89 60.04 3fxy h TRP 99 Cb 0.00 0.29 -0.01 0.00 -0.51 0.00 0.00 29.16 28.93 3fxy h TRP 99 CO 0.00 -0.53 0.18 -0.91 -1.03 0.00 0.00 178.44 176.15 3fxy h ASN 100 N -1.19 0.15 -0.57 2.65 2.35 -2.00 -2.46 115.58 114.52 3fxy h ASN 100 Ca -0.10 -0.00 0.05 0.00 -0.55 0.00 0.00 56.30 55.71 3fxy h ASN 100 Cb 0.75 -0.03 -0.03 0.00 0.05 0.00 0.00 38.32 39.05 3fxy h ASN 100 CO 0.16 0.10 0.38 0.15 -1.65 0.00 0.00 177.43 176.57 3fxy h PHE 101 N 0.18 0.56 -0.18 1.19 3.57 -1.79 -3.48 116.94 116.99 3fxy h PHE 101 Ca 0.12 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.63 3fxy h PHE 101 Cb 0.24 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 38.80 3fxy h PHE 101 CO -0.00 0.31 0.00 0.41 -2.23 0.00 0.00 178.31 176.80 3fxy n GLY 102 N -1.48 -0.96 0.04 2.40 0.00 -0.93 -4.65 105.19 99.60 3fxy n GLY 102 Ca 0.08 -1.20 -0.03 0.00 0.00 0.00 0.00 46.02 44.86 3fxy n GLY 102 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3fxy n THR 103 N 0.00 0.51 -0.24 2.61 -2.24 -1.26 -4.64 114.28 109.02 3fxy n THR 103 Ca 0.00 -0.33 0.02 0.00 -2.27 0.00 0.00 64.05 61.47 3fxy n THR 103 Cb 0.00 -0.71 0.10 0.00 -2.10 0.00 0.00 70.33 67.62 3fxy n THR 103 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3fxy h ALA 104 N 0.42 0.55 -0.22 6.98 0.00 -1.93 -0.69 119.26 124.38 3fxy h ALA 104 Ca -0.20 0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 3fxy h ALA 104 Cb 1.41 0.48 -0.01 0.00 0.00 0.00 0.00 17.79 19.67 3fxy h ALA 104 CO 0.01 -0.42 -0.14 -1.35 0.00 0.00 0.00 179.25 177.35 3fxy h PRO 105 N 0.03 0.37 -0.19 0.00 0.11 -1.87 -1.88 132.00 128.57 3fxy h PRO 105 Ca 0.35 -0.10 -0.06 0.00 0.11 0.00 0.00 66.00 66.31 3fxy h PRO 105 Cb 0.56 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 31.63 3fxy h PRO 105 CO -0.69 0.51 -0.10 0.74 -0.21 0.00 0.00 178.00 178.26 3fxy h PHE 106 N 0.34 0.46 -0.36 0.65 0.04 -1.50 -1.83 116.94 114.75 3fxy h PHE 106 Ca 0.07 -0.12 0.07 0.00 2.80 0.00 0.00 57.97 60.79 3fxy h PHE 106 Cb 0.46 -0.11 -0.07 0.00 2.20 0.00 0.00 35.95 38.44 3fxy h PHE 106 CO 0.01 0.70 -0.09 1.15 -0.60 0.00 0.00 178.31 179.49 3fxy h THR 107 N 0.09 0.64 -0.64 -1.55 2.02 -1.07 -1.35 112.91 111.05 3fxy h THR 107 Ca 0.04 -0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.15 3fxy h THR 107 Cb 0.59 0.64 -0.03 0.00 -1.74 0.00 0.00 68.15 67.61 3fxy h THR 107 CO 0.03 0.00 0.11 0.00 0.37 0.00 0.00 175.52 176.03 3fxy h ALA 108 N 1.36 0.85 -0.47 6.16 0.00 -1.34 -2.72 119.26 123.10 3fxy h ALA 108 Ca 0.17 -0.26 -0.10 0.00 0.00 0.00 0.00 54.91 54.72 3fxy h ALA 108 Cb 0.26 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3fxy h ALA 108 CO -0.37 0.60 -0.10 1.98 0.00 0.00 0.00 179.25 181.36 3fxy h MET 109 N 0.97 0.85 -0.00 0.00 -1.53 -1.02 -3.04 114.93 111.16 3fxy h MET 109 Ca 0.20 -0.29 0.00 0.00 -3.44 0.00 0.00 59.70 56.17 3fxy h MET 109 Cb 0.42 -0.07 0.00 0.00 -0.55 0.00 0.00 31.60 31.40 3fxy h MET 109 CO 0.01 0.91 -0.22 1.33 0.14 0.00 0.00 176.91 179.08 3fxy n VAL 110 N -4.16 0.00 0.23 -5.77 0.24 -0.54 -2.81 118.33 105.53 3fxy n VAL 110 Ca 0.02 -0.02 0.08 0.00 -2.04 0.00 0.00 64.34 62.38 3fxy n VAL 110 Cb 0.37 -0.10 0.57 0.00 -1.47 0.00 0.00 33.84 33.22 3fxy n VAL 110 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 3fxy h SER 111 N 0.16 0.00 -4.59 -1.34 4.64 -1.36 -3.43 113.55 107.63 3fxy h SER 111 Ca 0.00 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 60.98 3fxy h SER 111 Cb 0.47 0.00 -0.22 0.00 -0.31 0.00 0.00 62.40 62.34 3fxy h SER 111 CO 0.00 0.19 -0.76 0.42 -0.87 0.00 0.00 176.83 175.81 3fxy s THR 112 N -4.36 0.81 0.45 2.95 -4.23 -1.26 -5.04 115.64 104.96 3fxy s THR 112 Ca -0.03 -1.14 0.13 0.00 -1.18 0.00 0.00 61.69 59.47 3fxy s THR 112 Cb 0.14 -0.82 0.23 0.00 1.34 0.00 0.00 72.50 73.39 3fxy s THR 112 CO 0.65 -0.27 2.05 -0.65 -0.54 0.00 0.00 174.62 175.86 3fxy h PRO 113 N 4.49 0.16 -0.46 3.99 0.11 -1.90 -2.34 132.00 136.05 3fxy h PRO 113 Ca -0.38 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 65.64 3fxy h PRO 113 Cb 1.20 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 3fxy h PRO 113 CO 0.41 0.19 0.02 0.93 -0.21 0.00 0.00 178.00 179.33 3fxy h GLU 114 N 0.16 0.80 -0.59 1.05 3.07 -1.96 -0.88 114.58 116.22 3fxy h GLU 114 Ca 0.04 -0.25 -0.08 0.00 -0.50 0.00 0.00 59.36 58.57 3fxy h GLU 114 Cb 0.14 -0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 27.95 3fxy h GLU 114 CO 0.00 0.85 0.03 -0.91 -1.40 0.00 0.00 179.01 177.58 3fxy h ASN 115 N 0.65 0.96 -0.41 1.42 2.35 -1.76 -2.21 115.58 116.59 3fxy h ASN 115 Ca 0.13 -0.25 -0.02 0.00 -0.55 0.00 0.00 56.30 55.61 3fxy h ASN 115 Cb 0.48 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.57 3fxy h ASN 115 CO 0.02 1.00 0.18 0.03 -1.65 0.00 0.00 177.43 177.01 3fxy h ARG 116 N 0.92 0.60 -0.64 0.81 3.08 -1.23 -1.60 114.38 116.32 3fxy h ARG 116 Ca 0.17 -0.10 -0.02 0.00 0.07 0.00 0.00 59.98 60.10 3fxy h ARG 116 Cb 0.49 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.41 3fxy h ARG 116 CO 0.02 0.54 0.32 0.37 -1.07 0.00 0.00 179.97 180.15 3fxy h GLN 117 N 0.52 0.92 -0.30 0.04 4.15 -1.08 -0.12 115.11 119.24 3fxy h GLN 117 Ca 0.14 -0.13 0.02 0.00 0.77 0.00 0.00 58.65 59.45 3fxy h GLN 117 Cb 0.15 -0.17 -0.03 0.00 0.21 0.00 0.00 27.48 27.65 3fxy h GLN 117 CO -0.01 0.73 0.14 1.15 -1.93 0.00 0.00 178.83 178.91 3fxy h THR 118 N 0.88 0.98 0.28 2.39 2.02 -1.27 0.48 112.91 118.66 3fxy h THR 118 Ca 0.22 -0.10 -0.01 0.00 0.77 0.00 0.00 66.41 67.29 3fxy h THR 118 Cb 0.11 0.65 -0.00 0.00 -1.74 0.00 0.00 68.15 67.16 3fxy h THR 118 CO -0.03 0.05 -0.16 0.15 0.37 0.00 0.00 175.52 175.90 3fxy h PHE 119 N 0.30 -0.43 -0.34 3.16 3.57 -0.88 -1.66 116.94 120.66 3fxy h PHE 119 Ca 0.13 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.67 3fxy h PHE 119 Cb 0.05 0.15 -0.05 0.00 2.79 0.00 0.00 35.95 38.90 3fxy h PHE 119 CO -0.10 -0.26 0.07 0.82 -2.23 0.00 0.00 178.31 176.61 3fxy h ILE 120 N -0.42 0.83 -0.37 1.41 2.04 -0.84 0.59 117.51 120.75 3fxy h ILE 120 Ca -0.03 -0.07 0.05 0.00 1.00 0.00 0.00 64.86 65.81 3fxy h ILE 120 Cb 0.35 0.62 -0.04 0.00 -0.74 0.00 0.00 36.82 37.01 3fxy h ILE 120 CO 0.03 0.03 0.12 0.74 0.00 0.00 0.00 178.15 179.07 3fxy h THR 121 N 0.19 0.87 -0.85 -0.27 2.02 -0.87 -1.38 112.91 112.62 3fxy h THR 121 Ca 0.16 -0.09 0.02 0.00 0.77 0.00 0.00 66.41 67.27 3fxy h THR 121 Cb 0.18 0.58 -0.05 0.00 -1.74 0.00 0.00 68.15 67.13 3fxy h THR 121 CO -0.21 0.05 0.55 0.77 0.37 0.00 0.00 175.52 177.05 3fxy h SER 122 N 0.26 0.94 0.00 4.18 4.64 -0.58 -2.38 113.55 120.62 3fxy h SER 122 Ca 0.17 -0.02 -0.00 0.00 -0.47 0.00 0.00 61.79 61.48 3fxy h SER 122 Cb 0.17 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 62.03 3fxy h SER 122 CO -0.19 0.67 -0.00 0.58 -0.87 0.00 0.00 176.83 177.01 3fxy h VAL 123 N 1.11 1.11 -0.44 0.95 2.07 -0.43 -0.18 116.25 120.43 3fxy h VAL 123 Ca 0.32 -0.32 0.08 0.00 0.82 0.00 0.00 66.70 67.60 3fxy h VAL 123 Cb -0.07 1.32 -0.07 0.00 -1.52 0.00 0.00 31.29 30.95 3fxy h VAL 123 CO -0.09 0.08 0.05 0.40 0.02 0.00 0.00 177.57 178.04 3fxy h ILE 124 N -0.14 0.72 -0.44 4.57 2.04 -1.14 -0.22 117.51 122.89 3fxy h ILE 124 Ca -0.00 -0.06 -0.01 0.00 1.00 0.00 0.00 64.86 65.78 3fxy h ILE 124 Cb 0.14 0.53 -0.02 0.00 -0.74 0.00 0.00 36.82 36.73 3fxy h ILE 124 CO 0.00 0.03 0.22 0.50 0.00 0.00 0.00 178.15 178.91 3fxy h LYS 125 N 0.18 0.63 0.03 2.37 3.64 -1.31 -2.20 116.57 119.92 3fxy h LYS 125 Ca 0.22 -0.09 -0.00 0.00 -1.27 0.00 0.00 60.65 59.51 3fxy h LYS 125 Cb 0.30 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 3fxy h LYS 125 CO -0.32 0.53 -0.02 0.35 -2.27 0.00 0.00 179.45 177.73 3fxy h PHE 126 N 0.58 -0.04 -0.71 1.91 3.04 -0.61 -1.01 116.94 120.10 3fxy h PHE 126 Ca 0.15 -0.00 -0.05 0.00 3.98 0.00 0.00 57.97 62.05 3fxy h PHE 126 Cb 0.10 0.01 -0.03 0.00 2.56 0.00 0.00 35.95 38.59 3fxy h PHE 126 CO -0.01 0.11 0.23 -0.07 -2.02 0.00 0.00 178.31 176.55 3fxy h LEU 127 N -0.19 1.02 -0.52 0.59 3.38 -1.03 -2.39 115.31 116.18 3fxy h LEU 127 Ca -0.00 -0.18 -0.16 0.00 0.09 0.00 0.00 57.88 57.63 3fxy h LEU 127 Cb 0.17 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 3fxy h LEU 127 CO 0.01 0.94 -0.51 0.03 0.09 0.00 0.00 178.44 179.00 3fxy h ARG 128 N 1.05 0.61 -0.48 1.13 2.47 -1.35 0.08 114.38 117.89 3fxy h ARG 128 Ca 0.23 -0.37 -0.02 0.00 -1.26 0.00 0.00 59.98 58.56 3fxy h ARG 128 Cb 0.28 0.03 -0.02 0.00 -1.65 0.00 0.00 29.97 28.62 3fxy h ARG 128 CO -0.01 0.98 0.22 0.37 0.56 0.00 0.00 179.97 182.09 3fxy h GLN 129 N 0.48 0.70 -0.03 0.04 4.15 -0.93 -3.22 115.11 116.30 3fxy h GLN 129 Ca 0.02 -0.11 0.00 0.00 0.77 0.00 0.00 58.65 59.33 3fxy h GLN 129 Cb 1.06 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 28.63 3fxy h GLN 129 CO 0.10 0.61 -0.06 0.66 -1.93 0.00 0.00 178.83 178.20 3fxy n TYR 130 N -4.61 0.00 -2.83 3.99 4.01 -0.92 -4.99 117.16 111.81 3fxy n TYR 130 Ca 0.01 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.67 3fxy n TYR 130 Cb 0.13 -0.00 0.03 0.00 -0.31 0.00 0.00 39.34 39.19 3fxy n TYR 130 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 3fxy n GLU 131 N 0.99 -2.79 -3.33 -0.72 1.02 -0.36 -4.75 120.64 110.69 3fxy n GLU 131 Ca 0.14 0.30 -0.31 0.00 -0.02 0.00 0.00 57.16 57.27 3fxy n GLU 131 Cb 0.55 -3.71 -0.05 0.00 -0.02 0.00 0.00 31.44 28.20 3fxy n GLU 131 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 3fxy s PHE 132 N -3.12 3.43 -1.92 -0.32 0.08 -0.13 -4.87 117.98 111.14 3fxy s PHE 132 Ca 0.18 0.88 0.26 0.00 0.12 0.00 0.00 56.93 58.36 3fxy s PHE 132 Cb -0.08 -2.27 0.63 0.00 -0.57 0.00 0.00 43.02 40.73 3fxy s PHE 132 CO 0.26 0.21 1.49 -0.25 -0.10 0.00 0.00 175.22 176.83 3fxy n ASP 133 N -0.39 1.31 0.00 1.36 8.00 0.88 -4.59 116.55 123.12 3fxy n ASP 133 Ca 0.01 -1.10 0.00 0.00 0.71 0.00 0.00 54.79 54.41 3fxy n ASP 133 Cb 0.53 0.18 0.00 0.00 -0.02 0.00 0.00 41.12 41.81 3fxy n ASP 133 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3fxy n GLY 134 N 1.34 -1.34 3.15 0.44 0.00 -1.05 -0.53 105.19 107.20 3fxy n GLY 134 Ca 0.12 -1.02 -0.27 0.00 0.00 0.00 0.00 46.02 44.85 3fxy n GLY 134 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3fxy s LEU 135 N 0.00 1.93 -0.23 0.99 2.96 -0.24 -1.49 118.68 122.59 3fxy s LEU 135 Ca 0.00 -0.39 -0.07 0.00 -0.22 0.00 0.00 54.13 53.45 3fxy s LEU 135 Cb 0.00 -1.06 -0.03 0.00 0.50 0.00 0.00 46.19 45.61 3fxy s LEU 135 CO 0.00 0.15 0.05 -0.62 -1.32 0.00 0.00 176.35 174.61 3fxy s ASP 136 N 0.11 5.02 -0.13 3.68 2.15 0.19 -0.94 116.67 126.74 3fxy s ASP 136 Ca -0.06 -0.21 -0.29 0.00 0.43 0.00 0.00 52.55 52.42 3fxy s ASP 136 Cb -0.13 -1.89 -0.01 0.00 -0.30 0.00 0.00 42.92 40.59 3fxy s ASP 136 CO 0.03 -0.00 1.00 -0.36 -0.17 0.00 0.00 175.17 175.67 3fxy s PHE 137 N 1.42 3.48 -0.50 -5.34 0.40 0.31 -1.49 117.98 116.25 3fxy s PHE 137 Ca 0.05 1.54 0.06 0.00 -0.60 0.00 0.00 56.93 57.98 3fxy s PHE 137 Cb -0.15 -3.19 0.38 0.00 0.51 0.00 0.00 43.02 40.57 3fxy s PHE 137 CO 0.02 -0.27 1.00 -0.25 0.70 0.00 0.00 175.22 176.42 3fxy n ASP 138 N 5.25 4.21 -4.62 1.36 10.43 -0.14 -0.63 116.55 132.41 3fxy n ASP 138 Ca 0.09 -3.61 -0.43 0.00 2.57 0.00 0.00 54.79 53.41 3fxy n ASP 138 Cb 0.48 -0.53 -0.03 0.00 1.84 0.00 0.00 41.12 42.89 3fxy n ASP 138 CO 0.00 0.00 0.00 0.86 -1.07 0.00 0.00 177.20 176.99 3fxy s TRP 139 N -3.42 3.10 -0.60 1.24 -0.11 -1.26 -1.57 118.94 116.32 3fxy s TRP 139 Ca 0.47 0.96 0.01 0.00 1.22 0.00 0.00 56.10 58.76 3fxy s TRP 139 Cb 0.34 -3.68 0.15 0.00 -1.50 0.00 0.00 33.47 28.77 3fxy s TRP 139 CO -0.15 -0.81 0.38 -1.21 -4.62 0.00 0.00 176.95 170.54 3fxy s GLU 140 N 3.57 2.31 0.09 5.86 2.02 -1.26 -4.20 118.70 127.10 3fxy s GLU 140 Ca 0.41 -2.71 -0.03 0.00 0.02 0.00 0.00 54.97 52.67 3fxy s GLU 140 Cb -0.12 -3.51 -0.03 0.00 0.10 0.00 0.00 34.13 30.56 3fxy s GLU 140 CO 0.18 -1.16 0.05 0.71 0.02 0.00 0.00 175.26 175.06 3fxy s TYR 141 N -0.40 0.58 0.32 1.61 1.51 -1.25 -4.73 117.35 114.99 3fxy s TYR 141 Ca 0.18 -1.04 -0.29 0.00 -1.01 0.00 0.00 57.07 54.91 3fxy s TYR 141 Cb -0.21 -0.35 -0.11 0.00 -0.11 0.00 0.00 41.96 41.18 3fxy s TYR 141 CO -0.03 -0.47 1.45 -2.14 -1.11 0.00 0.00 175.55 173.24 3fxy s PRO 142 N -3.96 4.22 0.00 -1.71 0.02 -1.26 -2.84 135.00 129.47 3fxy s PRO 142 Ca 0.13 2.41 0.00 0.00 0.02 0.00 0.00 61.00 63.56 3fxy s PRO 142 Cb 0.07 -3.04 0.00 0.00 0.02 0.00 0.00 34.50 31.55 3fxy s PRO 142 CO -0.06 -0.43 0.00 0.41 -0.33 0.00 0.00 177.00 176.59 3fxy n GLY 143 N 1.29 1.84 3.40 0.52 0.00 -1.24 -3.79 105.19 107.21 3fxy n GLY 143 Ca 0.03 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.93 3fxy n GLY 143 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3fxy s SER 144 N -3.41 0.35 -1.47 1.61 1.04 -1.13 -4.77 113.70 105.91 3fxy s SER 144 Ca 0.00 -1.28 -0.07 0.00 0.48 0.00 0.00 55.95 55.08 3fxy s SER 144 Cb 0.00 0.53 0.03 0.00 0.10 0.00 0.00 66.02 66.67 3fxy s SER 144 CO 0.00 -1.06 0.75 -1.14 0.98 0.00 0.00 173.24 172.77 3fxy n ARG 145 N -0.40 -5.37 0.00 4.02 0.63 -1.26 -2.18 116.66 112.11 3fxy n ARG 145 Ca 0.01 0.79 0.00 0.00 -0.92 0.00 0.00 57.85 57.73 3fxy n ARG 145 Cb 0.63 -5.68 0.00 0.00 0.45 0.00 0.00 32.46 27.87 3fxy n ARG 145 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3fxy n GLY 146 N -1.59 2.30 3.69 5.14 0.00 -1.26 -4.60 105.19 108.88 3fxy n GLY 146 Ca -0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 3fxy n GLY 146 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3fxy s SER 147 N -0.79 7.12 0.87 1.61 0.15 -0.92 -4.95 113.70 116.79 3fxy s SER 147 Ca 0.00 1.79 -0.11 0.00 0.70 0.00 0.00 55.95 58.32 3fxy s SER 147 Cb 0.00 -2.56 0.12 0.00 -1.71 0.00 0.00 66.02 61.86 3fxy s SER 147 CO 0.00 -0.51 1.09 -2.16 1.20 0.00 0.00 173.24 172.86 3fxy s PRO 148 N 1.87 1.44 0.49 5.44 0.04 -1.26 -3.22 135.00 139.80 3fxy s PRO 148 Ca 0.55 1.02 0.20 0.00 0.04 0.00 0.00 61.00 62.80 3fxy s PRO 148 Cb -0.24 -1.81 1.23 0.00 0.04 0.00 0.00 34.50 33.71 3fxy s PRO 148 CO 0.23 -2.17 2.00 -1.35 0.04 0.00 0.00 177.00 175.75 3fxy h PRO 149 N -1.51 0.17 0.00 0.56 0.11 -1.94 -2.27 132.00 127.12 3fxy h PRO 149 Ca -0.47 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3fxy h PRO 149 Cb 1.27 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3fxy h PRO 149 CO 0.52 0.11 0.00 -0.56 -0.21 0.00 0.00 178.00 177.86 3fxy h GLN 150 N 0.18 0.00 0.00 1.05 -0.00 -1.96 -3.09 115.11 111.29 3fxy h GLN 150 Ca 0.25 0.00 -0.06 0.00 -0.00 0.00 0.00 58.65 58.84 3fxy h GLN 150 Cb 0.74 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 28.22 3fxy h GLN 150 CO -0.04 0.00 -0.27 -0.44 -0.00 0.00 0.00 178.83 178.08 3fxy h ASP 151 N 0.00 0.00 -0.08 0.06 3.32 -1.77 -1.96 116.42 115.99 3fxy h ASP 151 Ca 0.00 0.00 0.04 0.00 0.02 0.00 0.00 57.03 57.09 3fxy h ASP 151 Cb 0.40 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.90 3fxy h ASP 151 CO 0.00 0.27 -0.30 0.50 -1.72 0.00 0.00 179.24 177.99 3fxy h LYS 152 N 0.00 -0.39 -0.15 3.56 3.64 -1.74 0.76 116.57 122.25 3fxy h LYS 152 Ca -0.00 0.03 -0.20 0.00 -1.27 0.00 0.00 60.65 59.20 3fxy h LYS 152 Cb 0.60 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.51 3fxy h LYS 152 CO 0.04 -0.26 -0.72 1.25 -2.27 0.00 0.00 179.45 177.49 3fxy h HIS 153 N -0.40 0.88 0.00 1.91 2.76 -1.75 -3.25 115.15 115.30 3fxy h HIS 153 Ca 0.08 -0.37 -0.05 0.00 -2.20 0.00 0.00 60.37 57.84 3fxy h HIS 153 Cb 0.53 -0.14 -0.01 0.00 1.55 0.00 0.00 27.41 29.34 3fxy h HIS 153 CO -0.37 1.17 -0.21 -0.07 -1.30 0.00 0.00 177.93 177.15 3fxy h LEU 154 N 0.46 0.00 -0.21 0.26 3.38 -1.14 -2.10 115.31 115.97 3fxy h LEU 154 Ca -0.03 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 3fxy h LEU 154 Cb 1.32 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.06 3fxy h LEU 154 CO 0.14 0.21 0.09 0.15 0.09 0.00 0.00 178.44 179.12 3fxy h PHE 155 N 0.00 0.31 -0.49 1.13 3.57 -0.88 0.67 116.94 121.24 3fxy h PHE 155 Ca -0.00 -0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.57 3fxy h PHE 155 Cb 0.49 -0.09 -0.08 0.00 2.79 0.00 0.00 35.95 39.05 3fxy h PHE 155 CO 0.00 0.34 0.01 1.15 -2.23 0.00 0.00 178.31 177.58 3fxy h THR 156 N 0.19 0.62 -0.33 4.41 2.02 -1.45 -0.19 112.91 118.18 3fxy h THR 156 Ca 0.07 -0.04 -0.02 0.00 0.77 0.00 0.00 66.41 67.19 3fxy h THR 156 Cb 0.16 0.49 -0.02 0.00 -1.74 0.00 0.00 68.15 67.04 3fxy h THR 156 CO -0.01 0.02 0.15 0.58 0.37 0.00 0.00 175.52 176.63 3fxy h VAL 157 N 0.12 1.17 -0.31 3.16 2.07 -1.16 0.91 116.25 122.21 3fxy h VAL 157 Ca 0.25 -0.51 0.06 0.00 0.82 0.00 0.00 66.70 67.31 3fxy h VAL 157 Cb 0.37 0.89 -0.05 0.00 -1.52 0.00 0.00 31.29 30.98 3fxy h VAL 157 CO -0.40 0.18 -0.02 0.25 0.02 0.00 0.00 177.57 177.60 3fxy h LEU 158 N 0.40 -0.17 -0.49 2.57 5.85 -0.58 -0.97 115.31 121.92 3fxy h LEU 158 Ca 0.11 0.08 -0.11 0.00 0.84 0.00 0.00 57.88 58.80 3fxy h LEU 158 Cb 0.15 0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 3fxy h LEU 158 CO -0.01 -0.05 -0.12 0.58 -0.34 0.00 0.00 178.44 178.50 3fxy h VAL 159 N 0.06 1.27 -0.11 1.05 2.07 -0.73 -0.63 116.25 119.24 3fxy h VAL 159 Ca 0.15 -1.25 0.04 0.00 0.82 0.00 0.00 66.70 66.46 3fxy h VAL 159 Cb 0.21 1.07 -0.04 0.00 -1.52 0.00 0.00 31.29 31.01 3fxy h VAL 159 CO -0.27 0.44 -0.14 -0.61 0.02 0.00 0.00 177.57 177.00 3fxy h GLN 160 N 0.80 -0.18 -0.53 1.57 4.15 -0.60 -1.08 115.11 119.24 3fxy h GLN 160 Ca 0.12 0.01 -0.08 0.00 0.77 0.00 0.00 58.65 59.47 3fxy h GLN 160 Cb 0.67 0.04 -0.02 0.00 0.21 0.00 0.00 27.48 28.38 3fxy h GLN 160 CO 0.05 -0.12 0.00 0.93 -1.93 0.00 0.00 178.83 177.76 3fxy h GLU 161 N -0.18 0.91 -0.28 1.69 5.08 -1.03 -1.57 114.58 119.19 3fxy h GLU 161 Ca 0.09 -0.26 -0.01 0.00 -1.00 0.00 0.00 59.36 58.17 3fxy h GLU 161 Cb 0.31 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 3fxy h GLU 161 CO -0.22 0.90 0.13 1.98 -1.00 0.00 0.00 179.01 180.79 3fxy h MET 162 N 0.84 0.41 -0.25 2.33 4.05 -0.89 -0.97 114.93 120.44 3fxy h MET 162 Ca 0.16 -0.07 0.03 0.00 -0.28 0.00 0.00 59.70 59.54 3fxy h MET 162 Cb 0.50 -0.07 -0.03 0.00 -0.80 0.00 0.00 31.60 31.20 3fxy h MET 162 CO 0.02 0.41 0.07 -0.09 0.23 0.00 0.00 176.91 177.56 3fxy h ARG 163 N 0.31 0.17 -0.45 0.39 9.65 -1.03 -0.68 114.38 122.74 3fxy h ARG 163 Ca 0.09 -0.01 0.03 0.00 -1.10 0.00 0.00 59.98 59.00 3fxy h ARG 163 Cb 0.14 -0.04 -0.04 0.00 -1.39 0.00 0.00 29.97 28.65 3fxy h ARG 163 CO -0.01 0.11 0.23 0.93 2.80 0.00 0.00 179.97 184.04 3fxy h GLU 164 N 0.18 0.45 -0.53 0.20 5.08 -1.17 -0.28 114.58 118.50 3fxy h GLU 164 Ca 0.11 -0.03 -0.10 0.00 -1.00 0.00 0.00 59.36 58.34 3fxy h GLU 164 Cb 0.09 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 3fxy h GLU 164 CO -0.13 0.30 -0.07 0.00 -1.00 0.00 0.00 179.01 178.11 3fxy h ALA 165 N 1.24 0.86 -0.61 3.43 0.00 -0.99 -1.21 119.26 121.98 3fxy h ALA 165 Ca 0.19 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 3fxy h ALA 165 Cb 0.09 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 3fxy h ALA 165 CO -0.13 0.65 0.37 0.74 0.00 0.00 0.00 179.25 180.88 3fxy h PHE 166 N 0.87 0.79 -0.39 0.00 -1.00 -0.86 0.24 116.94 116.60 3fxy h PHE 166 Ca 0.15 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.93 3fxy h PHE 166 Cb 0.61 -0.26 -0.02 0.00 3.61 0.00 0.00 35.95 39.89 3fxy h PHE 166 CO 0.04 0.54 0.24 0.93 -1.61 0.00 0.00 178.31 178.44 3fxy h GLU 167 N 0.82 0.52 -0.32 1.51 4.39 -0.77 -2.35 114.58 118.38 3fxy h GLU 167 Ca 0.22 -0.04 -0.07 0.00 0.34 0.00 0.00 59.36 59.80 3fxy h GLU 167 Cb -0.03 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.50 3fxy h GLU 167 CO -0.04 0.38 -0.09 1.96 -1.16 0.00 0.00 179.01 180.05 3fxy h GLN 168 N 0.51 0.62 -0.70 2.33 1.08 -1.06 -3.15 115.11 114.74 3fxy h GLN 168 Ca 0.14 -0.24 0.02 0.00 -1.45 0.00 0.00 58.65 57.12 3fxy h GLN 168 Cb -0.02 -0.03 -0.04 0.00 -0.05 0.00 0.00 27.48 27.34 3fxy h GLN 168 CO -0.03 0.81 0.47 1.49 -0.95 0.00 0.00 178.83 180.62 3fxy h GLU 169 N 0.39 0.88 -0.97 1.46 4.22 -0.86 -2.30 114.58 117.40 3fxy h GLU 169 Ca 0.08 -0.05 0.05 0.00 0.08 0.00 0.00 59.36 59.51 3fxy h GLU 169 Cb 0.59 -0.20 -0.06 0.00 0.50 0.00 0.00 28.75 29.58 3fxy h GLU 169 CO 0.03 0.58 0.63 0.00 -2.18 0.00 0.00 179.01 178.08 3fxy h ALA 170 N 1.58 1.40 0.00 2.92 0.00 -1.38 -0.86 119.26 122.92 3fxy h ALA 170 Ca 0.27 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 55.01 3fxy h ALA 170 Cb -0.02 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.42 3fxy h ALA 170 CO -0.07 0.49 -0.63 0.87 0.00 0.00 0.00 179.25 179.90 3fxy h LYS 171 N 1.19 0.00 -0.08 0.00 1.79 -1.47 -1.24 116.57 116.76 3fxy h LYS 171 Ca 0.40 0.00 -0.09 0.00 -2.18 0.00 0.00 60.65 58.78 3fxy h LYS 171 Cb 0.07 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.73 3fxy h LYS 171 CO -0.14 0.63 -0.28 0.37 -1.08 0.00 0.00 179.45 178.95 3fxy h GLN 172 N 0.00 0.34 -0.37 3.15 4.15 -0.89 -3.32 115.11 118.17 3fxy h GLN 172 Ca -0.01 -0.25 0.00 0.00 0.77 0.00 0.00 58.65 59.16 3fxy h GLN 172 Cb 1.21 0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.94 3fxy h GLN 172 CO 0.08 0.88 0.00 0.44 -1.93 0.00 0.00 178.83 178.30 3fxy n ILE 173 N -4.45 0.50 -3.65 2.39 -5.35 -0.43 -4.99 119.36 103.38 3fxy n ILE 173 Ca -0.08 -0.75 -0.21 0.00 -0.27 0.00 0.00 62.75 61.45 3fxy n ILE 173 Cb 0.48 0.99 0.04 0.00 -1.74 0.00 0.00 39.64 39.41 3fxy n ILE 173 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 3fxy n ASN 174 N 1.43 -1.40 -4.16 7.28 3.02 -0.51 -5.02 115.26 115.89 3fxy n ASN 174 Ca 0.18 -0.78 -0.11 0.00 -0.03 0.00 0.00 54.58 53.84 3fxy n ASN 174 Cb 0.59 -4.26 -0.10 0.00 -0.61 0.00 0.00 39.78 35.40 3fxy n ASN 174 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3fxy s LYS 175 N -5.85 0.80 0.43 3.52 1.02 -0.92 -5.05 119.74 113.69 3fxy s LYS 175 Ca 0.01 -1.27 -0.24 0.00 0.02 0.00 0.00 55.97 54.49 3fxy s LYS 175 Cb -0.00 -0.22 -0.10 0.00 -0.52 0.00 0.00 37.83 36.98 3fxy s LYS 175 CO 0.80 -0.01 0.98 -2.30 -0.92 0.00 0.00 175.35 173.90 3fxy n PRO 176 N 0.12 1.28 -1.68 -1.68 -0.02 -1.26 -4.57 135.00 127.19 3fxy n PRO 176 Ca -0.13 0.46 -0.41 0.00 -2.02 0.00 0.00 63.50 61.40 3fxy n PRO 176 Cb 0.60 -2.01 0.01 0.00 -0.02 0.00 0.00 33.50 32.08 3fxy n PRO 176 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 3fxy n ARG 177 N 0.13 1.85 -2.16 -0.52 0.63 -1.26 -4.88 116.66 110.45 3fxy n ARG 177 Ca 0.10 0.66 -0.37 0.00 -0.92 0.00 0.00 57.85 57.32 3fxy n ARG 177 Cb 0.39 -2.31 0.01 0.00 0.45 0.00 0.00 32.46 31.00 3fxy n ARG 177 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 3fxy s LEU 178 N -1.39 3.90 0.27 6.15 1.43 -1.26 -4.99 118.68 122.78 3fxy s LEU 178 Ca 0.61 2.35 -0.13 0.00 -1.03 0.00 0.00 54.13 55.93 3fxy s LEU 178 Cb -0.53 -4.36 -0.08 0.00 0.03 0.00 0.00 46.19 41.26 3fxy s LEU 178 CO 0.58 -1.15 0.66 -0.04 0.23 0.00 0.00 176.35 176.63 3fxy s MET 179 N -2.92 3.95 -0.12 1.70 -1.94 0.31 -4.87 119.30 115.40 3fxy s MET 179 Ca 0.68 0.53 0.01 0.00 -1.71 0.00 0.00 55.69 55.20 3fxy s MET 179 Cb -0.30 -2.56 0.02 0.00 2.01 0.00 0.00 34.83 34.00 3fxy s MET 179 CO 0.35 0.25 -0.12 0.54 -0.01 0.00 0.00 175.02 176.02 3fxy s VAL 180 N -1.86 1.34 0.29 -6.03 0.11 -1.26 -1.08 120.40 111.90 3fxy s VAL 180 Ca 0.50 -0.51 0.02 0.00 -2.93 0.00 0.00 61.98 59.06 3fxy s VAL 180 Cb -0.11 -1.27 -0.05 0.00 -1.53 0.00 0.00 36.38 33.42 3fxy s VAL 180 CO 0.19 0.42 0.10 0.42 -3.33 0.00 0.00 175.10 172.90 3fxy s THR 181 N 1.33 0.67 -0.09 5.04 -4.23 -0.11 -0.27 115.64 117.96 3fxy s THR 181 Ca -0.00 -2.00 -0.08 0.00 -1.18 0.00 0.00 61.69 58.42 3fxy s THR 181 Cb -0.14 -2.63 0.02 0.00 1.34 0.00 0.00 72.50 71.10 3fxy s THR 181 CO -0.06 0.00 0.25 0.00 -0.54 0.00 0.00 174.62 174.27 3fxy s ALA 182 N -3.59 -0.61 0.01 3.99 0.00 -1.06 -0.53 121.76 119.97 3fxy s ALA 182 Ca 0.36 0.71 -0.26 0.00 0.00 0.00 0.00 51.96 52.78 3fxy s ALA 182 Cb 0.07 -0.42 -0.04 0.00 0.00 0.00 0.00 23.12 22.73 3fxy s ALA 182 CO 0.15 -0.12 0.79 0.00 0.00 0.00 0.00 175.76 176.58 3fxy s ALA 183 N 0.17 3.31 0.16 0.00 0.00 0.20 -0.39 121.76 125.22 3fxy s ALA 183 Ca -0.00 0.30 0.06 0.00 0.00 0.00 0.00 51.96 52.31 3fxy s ALA 183 Cb -0.02 -3.06 -0.04 0.00 0.00 0.00 0.00 23.12 20.00 3fxy s ALA 183 CO -0.00 -0.04 -0.12 0.14 0.00 0.00 0.00 175.76 175.73 3fxy s VAL 184 N 0.39 1.40 0.57 0.00 -7.23 -0.02 -4.60 120.40 110.93 3fxy s VAL 184 Ca 0.41 -2.06 -0.20 0.00 -1.81 0.00 0.00 61.98 58.32 3fxy s VAL 184 Cb -0.20 -1.86 -0.04 0.00 0.56 0.00 0.00 36.38 34.84 3fxy s VAL 184 CO 0.23 -0.64 1.31 0.00 -0.31 0.00 0.00 175.10 175.69 3fxy s ALA 185 N -2.99 2.68 -0.17 1.32 0.00 -1.26 -1.66 121.76 119.67 3fxy s ALA 185 Ca 0.17 1.23 0.19 0.00 0.00 0.00 0.00 51.96 53.55 3fxy s ALA 185 Cb 0.00 -3.53 -0.28 0.00 0.00 0.00 0.00 23.12 19.31 3fxy s ALA 185 CO 0.03 -1.35 0.48 0.00 0.00 0.00 0.00 175.76 174.92 3fxy n ALA 186 N -1.30 2.99 -2.31 0.00 0.00 -1.26 -4.63 120.51 114.00 3fxy n ALA 186 Ca 0.12 -0.46 -0.42 0.00 0.00 0.00 0.00 53.44 52.68 3fxy n ALA 186 Cb 0.47 -0.65 -0.03 0.00 0.00 0.00 0.00 19.45 19.23 3fxy n ALA 186 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3fxy s GLY 187 N -3.94 2.37 0.13 0.00 0.00 -1.26 -4.88 107.32 99.74 3fxy s GLY 187 Ca -0.05 0.92 -0.18 0.00 0.00 0.00 0.00 44.72 45.41 3fxy s GLY 187 CO 0.78 2.07 1.73 -2.22 0.00 0.00 0.00 173.10 175.46 3fxy h ILE 188 N 4.33 1.13 -0.63 0.90 1.08 -1.93 0.63 117.51 123.02 3fxy h ILE 188 Ca -0.42 -0.34 -0.06 0.00 -0.39 0.00 0.00 64.86 63.65 3fxy h ILE 188 Cb 1.21 0.79 -0.03 0.00 -3.07 0.00 0.00 36.82 35.72 3fxy h ILE 188 CO 0.81 0.13 0.16 0.77 -0.69 0.00 0.00 178.15 179.33 3fxy h SER 189 N 0.38 0.92 -0.62 1.72 4.64 -1.99 -0.37 113.55 118.25 3fxy h SER 189 Ca 0.11 -0.18 -0.06 0.00 -0.47 0.00 0.00 61.79 61.19 3fxy h SER 189 Cb 0.06 -0.24 -0.03 0.00 -0.31 0.00 0.00 62.40 61.88 3fxy h SER 189 CO -0.02 0.89 0.15 0.78 -0.87 0.00 0.00 176.83 177.76 3fxy h ASN 190 N 0.94 0.96 -0.14 4.97 2.35 -1.86 -1.24 115.58 121.56 3fxy h ASN 190 Ca 0.20 -0.20 -0.01 0.00 -0.55 0.00 0.00 56.30 55.75 3fxy h ASN 190 Cb 0.32 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.43 3fxy h ASN 190 CO -0.00 0.94 0.07 0.40 -1.65 0.00 0.00 177.43 177.18 3fxy h ILE 191 N 0.97 1.13 -0.21 2.81 2.04 -0.50 -1.47 117.51 122.28 3fxy h ILE 191 Ca 0.20 -0.38 -0.08 0.00 1.00 0.00 0.00 64.86 65.61 3fxy h ILE 191 Cb 0.36 1.12 -0.01 0.00 -0.74 0.00 0.00 36.82 37.54 3fxy h ILE 191 CO 0.00 0.12 -0.22 1.56 0.00 0.00 0.00 178.15 179.61 3fxy h GLN 192 N 0.10 0.37 -0.01 2.37 4.20 -0.88 -2.49 115.11 118.78 3fxy h GLN 192 Ca 0.05 -0.12 0.00 0.00 0.06 0.00 0.00 58.65 58.64 3fxy h GLN 192 Cb 0.13 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.88 3fxy h GLN 192 CO -0.01 0.58 -0.25 -1.13 -0.67 0.00 0.00 178.83 177.35 3fxy n SER 193 N -4.16 1.05 -0.06 1.46 3.41 -0.48 -4.55 113.62 110.28 3fxy n SER 193 Ca -0.00 -0.92 -0.07 0.00 -0.26 0.00 0.00 58.87 57.62 3fxy n SER 193 Cb 0.36 0.13 -0.08 0.00 -0.26 0.00 0.00 64.21 64.37 3fxy n SER 193 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3fxy n GLY 194 N 1.34 -0.43 2.95 5.00 0.00 -0.56 -4.13 105.19 109.36 3fxy n GLY 194 Ca 0.12 -0.16 -0.17 0.00 0.00 0.00 0.00 46.02 45.82 3fxy n GLY 194 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3fxy s TYR 195 N -2.28 0.59 -0.95 1.61 1.51 -0.98 -4.41 117.35 112.44 3fxy s TYR 195 Ca -0.10 -0.12 -0.17 0.00 -1.01 0.00 0.00 57.07 55.67 3fxy s TYR 195 Cb 0.04 -0.42 0.15 0.00 -0.11 0.00 0.00 41.96 41.62 3fxy s TYR 195 CO 0.41 -0.05 1.10 -1.21 -1.11 0.00 0.00 175.55 174.70 3fxy s GLU 196 N 0.11 3.67 0.07 -0.62 2.02 -1.26 -4.86 118.70 117.83 3fxy s GLU 196 Ca -0.01 -1.99 -0.31 0.00 0.02 0.00 0.00 54.97 52.68 3fxy s GLU 196 Cb -0.05 -4.85 -0.18 0.00 0.10 0.00 0.00 34.13 29.14 3fxy s GLU 196 CO -0.00 -1.69 1.65 0.82 0.02 0.00 0.00 175.26 176.06 3fxy h ILE 197 N 5.50 0.47 -0.39 -1.63 2.04 -1.95 -0.22 117.51 121.34 3fxy h ILE 197 Ca 0.17 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.09 3fxy h ILE 197 Cb 1.01 0.47 -0.06 0.00 -0.74 0.00 0.00 36.82 37.50 3fxy h ILE 197 CO 1.06 0.00 0.02 -0.65 0.00 0.00 0.00 178.15 178.59 3fxy h PRO 198 N -0.72 0.13 -0.17 2.37 0.11 -1.72 -1.23 132.00 130.77 3fxy h PRO 198 Ca -0.07 -0.01 -0.12 0.00 0.11 0.00 0.00 66.00 65.91 3fxy h PRO 198 Cb 0.55 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.63 3fxy h PRO 198 CO 0.12 0.09 -0.35 0.37 -0.21 0.00 0.00 178.00 178.01 3fxy h GLN 199 N 0.13 0.54 -0.98 1.05 5.75 -1.86 -3.19 115.11 116.55 3fxy h GLN 199 Ca 0.19 -0.35 0.05 0.00 -0.15 0.00 0.00 58.65 58.38 3fxy h GLN 199 Cb 0.25 0.04 -0.06 0.00 1.07 0.00 0.00 27.48 28.79 3fxy h GLN 199 CO -0.29 0.96 0.64 1.25 -2.65 0.00 0.00 178.83 178.74 3fxy h LEU 200 N 0.19 1.05 -1.73 -2.39 5.85 -0.95 -2.57 115.31 114.75 3fxy h LEU 200 Ca 0.00 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3fxy h LEU 200 Cb 0.95 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.75 3fxy h LEU 200 CO 0.08 0.71 0.00 0.28 -0.34 0.00 0.00 178.44 179.16 3fxy h SER 201 N 1.21 0.00 1.39 1.25 0.02 -1.21 -2.13 113.55 114.08 3fxy h SER 201 Ca 0.40 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.34 3fxy h SER 201 Cb 0.05 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.59 3fxy h SER 201 CO -0.14 0.00 -0.06 1.56 -1.14 0.00 0.00 176.83 177.05 3fxy h GLN 202 N 0.00 0.00 0.00 3.45 1.08 -1.48 -3.36 115.11 114.80 3fxy h GLN 202 Ca 0.00 0.00 -0.36 0.00 -1.45 0.00 0.00 58.65 56.84 3fxy h GLN 202 Cb 0.33 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 27.69 3fxy h GLN 202 CO 0.00 0.06 -2.37 0.66 -0.95 0.00 0.00 178.83 176.23 3fxy n TYR 203 N -3.14 0.00 -2.18 2.96 0.53 -0.82 -4.97 117.16 109.53 3fxy n TYR 203 Ca 0.02 0.00 -0.41 0.00 -1.02 0.00 0.00 57.90 56.49 3fxy n TYR 203 Cb 0.43 -0.93 -0.03 0.00 -1.03 0.00 0.00 39.34 37.79 3fxy n TYR 203 CO 0.00 0.00 0.00 -0.51 -1.02 0.00 0.00 176.86 175.33 3fxy s LEU 204 N -6.36 4.44 0.07 7.72 1.43 -1.08 -4.87 118.68 120.03 3fxy s LEU 204 Ca -0.31 2.55 -0.14 0.00 -1.03 0.00 0.00 54.13 55.19 3fxy s LEU 204 Cb 0.08 -3.63 -0.23 0.00 0.03 0.00 0.00 46.19 42.44 3fxy s LEU 204 CO 0.57 -0.49 1.20 0.44 0.23 0.00 0.00 176.35 178.29 3fxy h ASP 205 N 4.19 0.91 -4.66 2.29 3.32 -0.98 -3.47 116.42 118.03 3fxy h ASP 205 Ca -0.47 -0.73 -0.17 0.00 0.02 0.00 0.00 57.03 55.68 3fxy h ASP 205 Cb 1.22 -0.28 -0.22 0.00 0.22 0.00 0.00 39.33 40.27 3fxy h ASP 205 CO 0.70 1.52 -0.60 -0.31 -1.72 0.00 0.00 179.24 178.84 3fxy s TYR 206 N -3.35 0.09 -0.28 4.55 1.51 -1.26 -4.76 117.35 113.85 3fxy s TYR 206 Ca -0.10 -0.18 0.01 0.00 -1.01 0.00 0.00 57.07 55.79 3fxy s TYR 206 Cb 0.07 -0.08 0.06 0.00 -0.11 0.00 0.00 41.96 41.90 3fxy s TYR 206 CO 0.92 -0.19 -0.05 0.42 -1.11 0.00 0.00 175.55 175.54 3fxy s ILE 207 N -1.04 2.49 -0.68 2.71 1.01 0.45 -2.55 121.20 123.59 3fxy s ILE 207 Ca -0.11 -1.62 -0.18 0.00 0.00 0.00 0.00 60.65 58.73 3fxy s ILE 207 Cb -0.07 -2.49 0.12 0.00 0.01 0.00 0.00 42.46 40.03 3fxy s ILE 207 CO 0.00 -0.12 0.80 -1.00 0.00 0.00 0.00 174.94 174.62 3fxy s HIS 208 N 1.14 3.09 -0.15 3.97 3.76 0.48 -0.87 115.29 126.71 3fxy s HIS 208 Ca -0.06 -1.14 -0.27 0.00 -0.15 0.00 0.00 55.06 53.45 3fxy s HIS 208 Cb -0.20 -4.05 -0.01 0.00 1.11 0.00 0.00 32.58 29.42 3fxy s HIS 208 CO -0.04 -1.31 0.91 0.08 -0.85 0.00 0.00 174.74 173.52 3fxy s VAL 209 N 2.46 4.83 -1.44 -0.90 1.01 -0.74 -0.84 120.40 124.78 3fxy s VAL 209 Ca 0.16 1.81 -0.11 0.00 0.00 0.00 0.00 61.98 63.84 3fxy s VAL 209 Cb -0.19 -4.21 0.05 0.00 0.00 0.00 0.00 36.38 32.03 3fxy s VAL 209 CO 0.02 0.01 2.31 0.23 0.00 0.00 0.00 175.10 177.66 3fxy n MET 210 N 5.21 3.33 -1.41 2.72 2.81 -0.66 -2.05 117.12 127.07 3fxy n MET 210 Ca 0.06 -2.80 -0.39 0.00 -1.81 0.00 0.00 57.70 52.76 3fxy n MET 210 Cb 0.49 -3.06 -0.02 0.00 -0.71 0.00 0.00 33.22 29.91 3fxy n MET 210 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 3fxy n THR 211 N 4.13 4.25 -3.98 2.03 -2.24 -1.26 -4.29 114.28 112.92 3fxy n THR 211 Ca 0.55 -2.74 -0.11 0.00 -2.27 0.00 0.00 64.05 59.48 3fxy n THR 211 Cb 0.34 -2.59 -0.03 0.00 -2.10 0.00 0.00 70.33 65.96 3fxy n THR 211 CO 0.00 0.00 0.00 -0.72 -0.57 0.00 0.00 175.07 173.78 3fxy s TYR 212 N 2.14 0.56 -1.43 4.78 -0.85 -1.26 -4.68 117.35 116.61 3fxy s TYR 212 Ca 0.66 -0.96 -0.03 0.00 -0.52 0.00 0.00 57.07 56.22 3fxy s TYR 212 Cb 0.17 0.28 0.01 0.00 0.38 0.00 0.00 41.96 42.81 3fxy s TYR 212 CO -0.07 -1.22 0.25 -0.25 -1.52 0.00 0.00 175.55 172.74 3fxy n ASP 213 N -1.10 -5.01 0.24 -0.18 8.00 -1.05 -4.88 116.55 112.57 3fxy n ASP 213 Ca -0.03 -0.09 0.12 0.00 0.71 0.00 0.00 54.79 55.50 3fxy n ASP 213 Cb 0.61 -4.15 0.48 0.00 -0.02 0.00 0.00 41.12 38.04 3fxy n ASP 213 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3fxy h LEU 214 N -0.55 0.00 -8.08 0.64 3.38 -1.50 -3.43 115.31 105.77 3fxy h LEU 214 Ca -0.44 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.40 3fxy h LEU 214 Cb 1.31 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 41.89 3fxy h LEU 214 CO 0.50 0.14 -0.64 -1.00 0.09 0.00 0.00 178.44 177.54 3fxy s HIS 215 N -3.57 0.37 0.17 1.13 3.76 -1.14 -4.97 115.29 111.04 3fxy s HIS 215 Ca 0.02 -0.79 -0.23 0.00 -0.15 0.00 0.00 55.06 53.90 3fxy s HIS 215 Cb 0.09 -0.27 0.07 0.00 1.11 0.00 0.00 32.58 33.58 3fxy s HIS 215 CO 0.62 -0.34 1.02 0.20 -0.85 0.00 0.00 174.74 175.39 3fxy s GLY 216 N -2.38 -0.02 0.64 -2.22 0.00 -1.26 -4.55 107.32 97.53 3fxy s GLY 216 Ca -0.01 -0.15 0.42 0.00 0.00 0.00 0.00 44.72 44.98 3fxy s GLY 216 CO -0.07 1.43 2.29 1.48 0.00 0.00 0.00 173.10 178.24 3fxy h SER 217 N 2.00 0.00 0.16 1.64 4.64 -1.85 -1.69 113.55 118.46 3fxy h SER 217 Ca -0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 3fxy h SER 217 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 3fxy h SER 217 CO 0.32 0.00 0.00 4.11 -0.87 0.00 0.00 176.83 180.39 3fxy h TRP 218 N 0.00 0.00 0.00 4.77 0.09 -1.94 -1.78 115.95 117.09 3fxy h TRP 218 Ca -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 58.89 58.98 3fxy h TRP 218 Cb 0.11 0.00 -0.00 0.00 0.08 0.00 0.00 29.16 29.35 3fxy h TRP 218 CO 0.00 0.00 -0.66 0.93 0.09 0.00 0.00 178.44 178.80 3fxy h GLU 219 N 0.00 0.00 0.00 0.12 5.08 -1.73 -3.48 114.58 114.57 3fxy h GLU 219 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3fxy h GLU 219 Cb 0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.33 3fxy h GLU 219 CO 0.00 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.42 3fxy n GLY 220 N 1.15 0.66 3.36 -3.84 0.00 -0.67 -5.04 105.19 100.82 3fxy n GLY 220 Ca 0.01 -0.03 -0.11 0.00 0.00 0.00 0.00 46.02 45.88 3fxy n GLY 220 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3fxy s TYR 221 N -2.00 -0.35 0.55 1.61 -0.85 -1.26 -1.76 117.35 113.29 3fxy s TYR 221 Ca 0.00 0.12 -0.21 0.00 -0.52 0.00 0.00 57.07 56.47 3fxy s TYR 221 Cb 0.00 0.37 -0.05 0.00 0.38 0.00 0.00 41.96 42.66 3fxy s TYR 221 CO 0.00 -0.74 1.24 0.95 -1.52 0.00 0.00 175.55 175.49 3fxy s THR 222 N -3.56 2.57 -0.07 -3.49 -4.23 -0.12 -4.72 115.64 102.02 3fxy s THR 222 Ca 0.01 0.40 -0.31 0.00 -1.18 0.00 0.00 61.69 60.60 3fxy s THR 222 Cb 0.01 -3.18 0.12 0.00 1.34 0.00 0.00 72.50 70.78 3fxy s THR 222 CO -0.11 -0.04 1.02 -0.83 -0.54 0.00 0.00 174.62 174.13 3fxy s GLY 223 N -1.34 -0.39 0.24 3.99 0.00 -1.26 -1.60 107.32 106.96 3fxy s GLY 223 Ca 0.72 1.22 -0.15 0.00 0.00 0.00 0.00 44.72 46.51 3fxy s GLY 223 CO 0.38 0.40 0.66 -0.54 0.00 0.00 0.00 173.10 174.00 3fxy s GLU 224 N -2.84 4.04 0.05 2.90 0.41 -1.26 -4.60 118.70 117.40 3fxy s GLU 224 Ca 0.07 0.63 -0.19 0.00 -0.41 0.00 0.00 54.97 55.06 3fxy s GLU 224 Cb -0.01 -2.71 -0.13 0.00 -1.78 0.00 0.00 34.13 29.50 3fxy s GLU 224 CO -0.07 0.32 1.36 -0.97 -0.49 0.00 0.00 175.26 175.41 3fxy h ASN 225 N 2.93 0.43 -1.76 -0.19 -1.24 -1.80 -3.03 115.58 110.93 3fxy h ASN 225 Ca -0.48 -0.47 -0.50 0.00 0.71 0.00 0.00 56.30 55.56 3fxy h ASN 225 Cb 1.18 -0.12 -0.36 0.00 0.73 0.00 0.00 38.32 39.75 3fxy h ASN 225 CO 0.66 0.82 -1.05 -0.24 -1.29 0.00 0.00 177.43 176.32 3fxy n SER 226 N -4.52 -0.03 -4.76 1.15 2.88 -1.26 -1.56 113.62 105.51 3fxy n SER 226 Ca -0.06 -2.85 -0.41 0.00 -1.33 0.00 0.00 58.87 54.22 3fxy n SER 226 Cb 0.37 -0.33 -0.03 0.00 -0.75 0.00 0.00 64.21 63.47 3fxy n SER 226 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 3fxy s PRO 227 N -1.26 4.49 0.07 -1.46 0.04 -1.26 -4.84 135.00 130.78 3fxy s PRO 227 Ca 0.35 2.02 -0.18 0.00 0.04 0.00 0.00 61.00 63.23 3fxy s PRO 227 Cb 0.22 -3.13 -0.11 0.00 0.04 0.00 0.00 34.50 31.52 3fxy s PRO 227 CO -0.11 -0.01 1.42 1.25 0.04 0.00 0.00 177.00 179.59 3fxy h LEU 228 N 3.71 0.50 -9.46 -3.56 5.85 -1.47 -0.39 115.31 110.48 3fxy h LEU 228 Ca -0.48 -0.42 -0.58 0.00 0.84 0.00 0.00 57.88 57.24 3fxy h LEU 228 Cb 1.22 -0.14 -0.13 0.00 0.37 0.00 0.00 40.66 41.98 3fxy h LEU 228 CO 0.67 0.81 -0.63 -0.31 -0.34 0.00 0.00 178.44 178.64 3fxy s TYR 229 N -4.54 2.33 0.73 1.25 2.02 -1.25 -1.04 117.35 116.85 3fxy s TYR 229 Ca -0.14 -0.68 -0.14 0.00 -0.37 0.00 0.00 57.07 55.75 3fxy s TYR 229 Cb 0.07 -1.51 0.04 0.00 -0.40 0.00 0.00 41.96 40.16 3fxy s TYR 229 CO 0.77 0.39 1.16 -1.59 -1.57 0.00 0.00 175.55 174.71 3fxy s LYS 230 N -3.72 2.25 0.26 -0.62 -2.85 -1.26 -4.55 119.74 109.25 3fxy s LYS 230 Ca 0.34 1.57 -0.27 0.00 -1.00 0.00 0.00 55.97 56.61 3fxy s LYS 230 Cb 0.07 -1.87 -0.09 0.00 -2.06 0.00 0.00 37.83 33.88 3fxy s LYS 230 CO 0.16 -1.71 0.90 -0.47 0.10 0.00 0.00 175.35 174.34 3fxy s TYR 231 N -2.24 3.83 0.55 1.78 5.04 -1.26 -4.50 117.35 120.55 3fxy s TYR 231 Ca 0.70 1.78 0.34 0.00 -2.44 0.00 0.00 57.07 57.46 3fxy s TYR 231 Cb -0.25 -2.90 1.51 0.00 0.35 0.00 0.00 41.96 40.67 3fxy s TYR 231 CO 0.46 0.36 1.82 -1.35 -1.34 0.00 0.00 175.55 175.50 3fxy h PRO 232 N 3.71 0.00 -0.01 4.97 0.11 -1.95 0.31 132.00 139.14 3fxy h PRO 232 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3fxy h PRO 232 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3fxy h PRO 232 CO 0.66 0.00 -0.16 0.25 -0.21 0.00 0.00 178.00 178.54 3fxy n THR 233 N -4.13 0.00 -1.89 -1.15 -2.24 -1.26 -4.89 114.28 98.72 3fxy n THR 233 Ca 0.22 -0.21 -0.43 0.00 -2.27 0.00 0.00 64.05 61.36 3fxy n THR 233 Cb 1.11 0.57 -0.03 0.00 -2.10 0.00 0.00 70.33 69.89 3fxy n THR 233 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3fxy s ASP 234 N -2.28 6.31 0.30 3.42 -0.00 0.11 -4.99 116.67 119.53 3fxy s ASP 234 Ca 0.29 2.07 0.09 0.00 -0.00 0.00 0.00 52.55 55.00 3fxy s ASP 234 Cb 0.20 -2.53 -0.06 0.00 -0.00 0.00 0.00 42.92 40.53 3fxy s ASP 234 CO 0.44 -1.25 -0.10 0.42 -0.00 0.00 0.00 175.17 174.68 3fxy s THR 235 N 5.26 2.01 0.00 -1.27 -4.23 -1.26 -4.55 115.64 111.61 3fxy s THR 235 Ca 0.81 -2.21 0.00 0.00 -1.18 0.00 0.00 61.69 59.11 3fxy s THR 235 Cb -0.33 -2.46 0.00 0.00 1.34 0.00 0.00 72.50 71.06 3fxy s THR 235 CO 0.33 -0.31 0.00 0.61 -0.54 0.00 0.00 174.62 174.71 3fxy n GLY 236 N -0.65 3.31 0.26 3.99 0.00 -1.26 -2.40 105.19 108.45 3fxy n GLY 236 Ca -0.05 -0.22 0.15 0.00 0.00 0.00 0.00 46.02 45.90 3fxy n GLY 236 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3fxy h SER 237 N 4.73 0.00 0.35 1.61 4.64 -2.02 -2.44 113.55 120.41 3fxy h SER 237 Ca 0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 3fxy h SER 237 Cb 0.00 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3fxy h SER 237 CO 0.00 0.02 -0.08 0.78 -0.87 0.00 0.00 176.83 176.68 3fxy h ASN 238 N 0.00 0.00 0.53 4.97 2.35 -1.86 -2.32 115.58 119.25 3fxy h ASN 238 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3fxy h ASN 238 Cb 0.66 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.03 3fxy h ASN 238 CO 0.00 0.08 0.00 0.00 -1.65 0.00 0.00 177.43 175.87 3fxy n ALA 239 N -2.25 1.92 1.10 -0.83 0.00 -0.92 -2.45 120.51 117.08 3fxy n ALA 239 Ca -0.02 -0.07 0.12 0.00 0.00 0.00 0.00 53.44 53.47 3fxy n ALA 239 Cb 0.21 -1.31 0.24 0.00 0.00 0.00 0.00 19.45 18.59 3fxy n ALA 239 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3fxy n TYR 240 N -1.42 0.00 -1.86 0.00 4.01 -0.87 -4.66 117.16 112.36 3fxy n TYR 240 Ca 0.06 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.42 3fxy n TYR 240 Cb 0.19 -0.15 -0.01 0.00 -0.31 0.00 0.00 39.34 39.06 3fxy n TYR 240 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 3fxy n LEU 241 N -1.01 7.97 -3.61 7.72 4.77 -1.03 -4.38 117.00 127.44 3fxy n LEU 241 Ca 0.08 -4.74 -0.14 0.00 -0.03 0.00 0.00 56.01 51.18 3fxy n LEU 241 Cb 0.35 -1.37 -0.06 0.00 -2.33 0.00 0.00 43.42 40.01 3fxy n LEU 241 CO 0.31 2.03 0.24 0.54 -1.33 0.00 0.00 177.39 179.19 3fxy s ASN 242 N 0.59 -0.41 0.18 -1.43 2.20 -1.26 -4.70 114.94 110.12 3fxy s ASN 242 Ca 0.56 0.21 -0.13 0.00 -0.94 0.00 0.00 52.86 52.56 3fxy s ASN 242 Cb 0.20 0.46 0.16 0.00 -2.00 0.00 0.00 41.25 40.08 3fxy s ASN 242 CO -0.10 -0.66 1.75 0.58 -2.94 0.00 0.00 177.10 175.73 3fxy h VAL 243 N 3.00 0.83 -0.23 3.54 2.07 -0.99 -2.44 116.25 122.02 3fxy h VAL 243 Ca -0.30 -0.12 0.06 0.00 0.82 0.00 0.00 66.70 67.16 3fxy h VAL 243 Cb 1.20 0.46 -0.07 0.00 -1.52 0.00 0.00 31.29 31.35 3fxy h VAL 243 CO 0.41 0.06 -0.24 -0.78 0.02 0.00 0.00 177.57 177.04 3fxy h ASP 244 N 0.34 -0.78 -0.19 0.57 3.58 -1.34 -1.17 116.42 117.44 3fxy h ASP 244 Ca 0.23 0.14 -0.03 0.00 0.42 0.00 0.00 57.03 57.80 3fxy h ASP 244 Cb 0.25 0.37 -0.01 0.00 1.72 0.00 0.00 39.33 41.66 3fxy h ASP 244 CO -0.24 -0.28 0.01 0.22 -2.88 0.00 0.00 179.24 176.07 3fxy h TYR 245 N -0.26 0.36 0.01 0.28 3.20 -1.76 -2.65 116.97 116.16 3fxy h TYR 245 Ca 0.13 -0.06 -0.00 0.00 3.14 0.00 0.00 58.73 61.94 3fxy h TYR 245 Cb 0.46 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.64 3fxy h TYR 245 CO -0.39 0.51 -0.01 0.28 -1.64 0.00 0.00 178.16 176.91 3fxy h VAL 246 N 0.10 1.05 -0.77 1.81 2.07 -1.25 0.55 116.25 119.80 3fxy h VAL 246 Ca 0.06 -0.19 -0.03 0.00 0.82 0.00 0.00 66.70 67.35 3fxy h VAL 246 Cb 0.36 1.18 -0.04 0.00 -1.52 0.00 0.00 31.29 31.28 3fxy h VAL 246 CO 0.01 0.05 0.36 0.24 0.02 0.00 0.00 177.57 178.25 3fxy h MET 247 N -0.10 1.10 -0.02 1.57 2.86 -1.27 -1.99 114.93 117.07 3fxy h MET 247 Ca -0.00 -0.16 -0.12 0.00 -2.06 0.00 0.00 59.70 57.36 3fxy h MET 247 Cb 0.10 -0.20 -0.02 0.00 0.06 0.00 0.00 31.60 31.54 3fxy h MET 247 CO 0.00 0.85 -0.53 -0.91 1.06 0.00 0.00 176.91 177.38 3fxy h ASN 248 N 1.09 0.06 -0.44 1.22 2.35 -1.27 -2.22 115.58 116.37 3fxy h ASN 248 Ca 0.26 -0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.99 3fxy h ASN 248 Cb 0.12 -0.02 -0.02 0.00 0.05 0.00 0.00 38.32 38.45 3fxy h ASN 248 CO -0.03 0.58 0.28 0.22 -1.65 0.00 0.00 177.43 176.83 3fxy h TYR 249 N 0.04 0.56 -0.48 1.19 3.20 -0.17 -0.30 116.97 121.01 3fxy h TYR 249 Ca -0.00 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.84 3fxy h TYR 249 Cb 0.96 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 39.02 3fxy h TYR 249 CO 0.00 0.37 0.16 -1.49 -1.64 0.00 0.00 178.16 175.56 3fxy h TRP 250 N 0.59 0.77 0.25 -3.82 4.06 -1.28 -2.49 115.95 114.03 3fxy h TRP 250 Ca 0.16 -0.08 -0.01 0.00 2.06 0.00 0.00 58.89 61.02 3fxy h TRP 250 Cb -0.04 -0.22 0.00 0.00 -1.00 0.00 0.00 29.16 27.90 3fxy h TRP 250 CO -0.04 0.68 -0.13 -0.22 -3.56 0.00 0.00 178.44 175.17 3fxy h LYS 251 N 0.65 -0.33 0.00 0.49 3.64 -1.28 -2.19 116.57 117.54 3fxy h LYS 251 Ca 0.16 0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.54 3fxy h LYS 251 Cb 0.26 0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.16 3fxy h LYS 251 CO -0.01 -0.22 -0.07 -0.44 -2.27 0.00 0.00 179.45 176.44 3fxy h ASP 252 N -0.34 0.00 -0.45 4.20 3.32 -1.01 -3.06 116.42 119.06 3fxy h ASP 252 Ca -0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.02 3fxy h ASP 252 Cb 0.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.82 3fxy h ASP 252 CO 0.05 0.07 0.00 0.59 -1.72 0.00 0.00 179.24 178.23 3fxy n ASN 253 N -3.41 3.55 0.00 6.45 3.02 -0.94 -4.96 115.26 118.97 3fxy n ASN 253 Ca -0.01 -2.22 0.00 0.00 -0.03 0.00 0.00 54.58 52.32 3fxy n ASN 253 Cb 0.22 -0.38 0.00 0.00 -0.61 0.00 0.00 39.78 39.01 3fxy n ASN 253 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3fxy n GLY 254 N 0.67 0.57 3.62 7.41 0.00 -1.13 -3.73 105.19 112.60 3fxy n GLY 254 Ca 0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 3fxy n GLY 254 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fxy s ALA 255 N -1.43 3.56 0.24 4.61 0.00 -0.84 -4.18 121.76 123.72 3fxy s ALA 255 Ca 0.00 -0.96 -0.31 0.00 0.00 0.00 0.00 51.96 50.69 3fxy s ALA 255 Cb 0.00 -2.47 -0.12 0.00 0.00 0.00 0.00 23.12 20.53 3fxy s ALA 255 CO 0.00 -0.44 1.67 -2.30 0.00 0.00 0.00 175.76 174.69 3fxy n PRO 256 N 4.82 2.72 -0.29 0.00 -0.02 -1.26 -4.28 135.00 136.69 3fxy n PRO 256 Ca -0.13 0.97 0.10 0.00 -2.02 0.00 0.00 63.50 62.42 3fxy n PRO 256 Cb 0.52 -2.79 0.26 0.00 -0.02 0.00 0.00 33.50 31.46 3fxy n PRO 256 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3fxy h ALA 257 N 6.00 1.32 0.00 3.55 0.00 -1.93 -0.04 119.26 128.16 3fxy h ALA 257 Ca -0.45 0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.56 3fxy h ALA 257 Cb 1.21 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.08 3fxy h ALA 257 CO 0.89 -0.24 -0.15 1.49 0.00 0.00 0.00 179.25 181.25 3fxy h GLU 258 N 0.48 0.00 0.00 0.00 4.57 -1.89 -1.84 114.58 115.90 3fxy h GLU 258 Ca 0.50 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.68 3fxy h GLU 258 Cb 0.85 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.44 3fxy h GLU 258 CO -0.45 0.15 -0.49 0.87 -1.18 0.00 0.00 179.01 177.90 3fxy h LYS 259 N 0.00 0.00 -5.92 1.92 1.57 -1.31 -3.31 116.57 109.52 3fxy h LYS 259 Ca -0.00 0.00 -0.58 0.00 -1.87 0.00 0.00 60.65 58.20 3fxy h LYS 259 Cb 0.34 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.58 3fxy h LYS 259 CO 0.02 0.00 0.42 -0.51 -0.57 0.00 0.00 179.45 178.81 3fxy s LEU 260 N -4.44 4.15 -0.15 2.94 1.43 -0.76 -0.41 118.68 121.44 3fxy s LEU 260 Ca 0.07 1.16 0.01 0.00 -1.03 0.00 0.00 54.13 54.33 3fxy s LEU 260 Cb 0.13 -3.24 0.00 0.00 0.03 0.00 0.00 46.19 43.11 3fxy s LEU 260 CO 0.70 -0.43 -0.16 -0.63 0.23 0.00 0.00 176.35 176.05 3fxy s ILE 261 N 2.33 2.58 0.04 -0.59 -1.09 -0.05 -0.81 121.20 123.60 3fxy s ILE 261 Ca 0.38 -0.80 -0.29 0.00 -2.23 0.00 0.00 60.65 57.71 3fxy s ILE 261 Cb -0.16 -2.08 -0.04 0.00 -1.58 0.00 0.00 42.46 38.59 3fxy s ILE 261 CO 0.11 0.52 0.93 -0.69 -1.23 0.00 0.00 174.94 174.58 3fxy s VAL 262 N 0.83 4.75 -0.10 2.92 1.01 -0.31 -1.80 120.40 127.69 3fxy s VAL 262 Ca -0.05 1.97 -0.30 0.00 0.00 0.00 0.00 61.98 63.60 3fxy s VAL 262 Cb -0.15 -4.28 -0.01 0.00 0.00 0.00 0.00 36.38 31.94 3fxy s VAL 262 CO -0.01 0.24 1.05 -0.83 0.00 0.00 0.00 175.10 175.56 3fxy s GLY 263 N 0.54 2.26 -0.20 4.51 0.00 -0.87 -0.09 107.32 113.48 3fxy s GLY 263 Ca 0.48 0.41 -0.00 0.00 0.00 0.00 0.00 44.72 45.61 3fxy s GLY 263 CO 0.27 2.00 -0.15 -1.36 0.00 0.00 0.00 173.10 173.86 3fxy s PHE 264 N 2.13 2.86 -0.17 1.90 0.40 0.92 -4.45 117.98 121.57 3fxy s PHE 264 Ca 0.50 -1.49 -0.19 0.00 -0.60 0.00 0.00 56.93 55.15 3fxy s PHE 264 Cb -0.19 -1.98 -0.03 0.00 0.51 0.00 0.00 43.02 41.33 3fxy s PHE 264 CO 0.18 -0.74 0.55 -1.25 0.70 0.00 0.00 175.22 174.66 3fxy s PRO 265 N 1.33 4.25 -0.32 0.24 0.04 -1.26 -1.95 135.00 137.33 3fxy s PRO 265 Ca 0.04 0.51 0.02 0.00 0.04 0.00 0.00 61.00 61.61 3fxy s PRO 265 Cb -0.14 -3.53 0.38 0.00 0.04 0.00 0.00 34.50 31.26 3fxy s PRO 265 CO -0.10 -0.09 1.69 0.25 0.04 0.00 0.00 177.00 178.80 3fxy n THR 266 N 4.34 2.55 -3.95 1.26 -2.24 -0.51 -4.64 114.28 111.08 3fxy n THR 266 Ca -0.04 -1.42 -0.09 0.00 -2.27 0.00 0.00 64.05 60.23 3fxy n THR 266 Cb 0.51 -0.83 -0.05 0.00 -2.10 0.00 0.00 70.33 67.85 3fxy n THR 266 CO 0.00 0.00 0.00 -0.72 -0.57 0.00 0.00 175.07 173.78 3fxy s TYR 267 N -2.16 0.31 0.29 4.78 -0.85 -1.26 -1.50 117.35 116.96 3fxy s TYR 267 Ca 0.37 -0.66 0.02 0.00 -0.52 0.00 0.00 57.07 56.28 3fxy s TYR 267 Cb 0.31 0.16 -0.05 0.00 0.38 0.00 0.00 41.96 42.76 3fxy s TYR 267 CO 0.05 -0.92 0.09 0.20 -1.52 0.00 0.00 175.55 173.45 3fxy s GLY 268 N -2.99 1.92 -0.15 5.49 0.00 -0.48 -4.45 107.32 106.66 3fxy s GLY 268 Ca 0.20 -1.88 -0.08 0.00 0.00 0.00 0.00 44.72 42.96 3fxy s GLY 268 CO 0.06 -1.68 0.12 0.30 0.00 0.00 0.00 173.10 171.90 3fxy s HIS 269 N -3.57 3.48 0.32 1.90 3.76 -0.62 -1.81 115.29 118.76 3fxy s HIS 269 Ca 0.36 0.41 0.08 0.00 -0.15 0.00 0.00 55.06 55.77 3fxy s HIS 269 Cb 0.08 -2.00 -0.04 0.00 1.11 0.00 0.00 32.58 31.72 3fxy s HIS 269 CO 0.15 0.54 0.16 0.54 -0.85 0.00 0.00 174.74 175.28 3fxy s ASN 270 N -0.50 4.86 0.03 1.40 2.20 -0.54 -1.45 114.94 120.95 3fxy s ASN 270 Ca 0.12 -0.66 -0.08 0.00 -0.94 0.00 0.00 52.86 51.30 3fxy s ASN 270 Cb -0.12 -0.85 -0.00 0.00 -2.00 0.00 0.00 41.25 38.28 3fxy s ASN 270 CO 0.02 -0.26 0.15 -0.36 -2.94 0.00 0.00 177.10 173.71 3fxy s PHE 271 N -2.37 0.10 -0.27 1.54 0.40 0.04 -1.89 117.98 115.54 3fxy s PHE 271 Ca 0.37 -0.34 -0.12 0.00 -0.60 0.00 0.00 56.93 56.25 3fxy s PHE 271 Cb -0.04 -0.07 -0.05 0.00 0.51 0.00 0.00 43.02 43.37 3fxy s PHE 271 CO 0.23 -0.39 0.23 0.42 0.70 0.00 0.00 175.22 176.42 3fxy s ILE 272 N -2.41 5.29 -0.02 0.64 -1.09 0.09 -2.25 121.20 121.44 3fxy s ILE 272 Ca -0.06 0.27 -0.30 0.00 -2.23 0.00 0.00 60.65 58.32 3fxy s ILE 272 Cb -0.02 -3.57 -0.05 0.00 -1.58 0.00 0.00 42.46 37.25 3fxy s ILE 272 CO -0.03 0.24 1.36 -0.76 -1.23 0.00 0.00 174.94 174.52 3fxy s LEU 273 N 1.74 4.30 0.35 2.97 1.43 0.82 -0.96 118.68 129.33 3fxy s LEU 273 Ca 0.09 2.03 0.05 0.00 -1.03 0.00 0.00 54.13 55.28 3fxy s LEU 273 Cb -0.16 -3.56 0.66 0.00 0.03 0.00 0.00 46.19 43.17 3fxy s LEU 273 CO 0.10 -0.70 1.91 0.28 0.23 0.00 0.00 176.35 178.16 3fxy h SER 274 N 7.85 0.45 -3.12 2.29 0.02 -1.69 -3.39 113.55 115.95 3fxy h SER 274 Ca -0.36 -0.07 -0.54 0.00 -0.84 0.00 0.00 61.79 59.97 3fxy h SER 274 Cb 1.17 -0.12 -0.40 0.00 0.14 0.00 0.00 62.40 63.19 3fxy h SER 274 CO 0.90 0.51 -0.76 0.21 -1.14 0.00 0.00 176.83 176.55 3fxy s ASN 275 N -6.75 3.43 0.56 3.07 2.47 -1.26 -5.02 114.94 111.44 3fxy s ASN 275 Ca -0.07 -1.21 0.29 0.00 0.42 0.00 0.00 52.86 52.29 3fxy s ASN 275 Cb 0.16 -0.63 1.60 0.00 -1.45 0.00 0.00 41.25 40.93 3fxy s ASN 275 CO 0.76 -0.37 1.88 1.55 -3.72 0.00 0.00 177.10 177.20 3fxy h PRO 276 N 8.23 0.00 0.00 0.43 0.13 -1.84 0.72 132.00 139.66 3fxy h PRO 276 Ca -0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.97 3fxy h PRO 276 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 3fxy h PRO 276 CO 0.41 0.00 -0.09 -1.13 -0.23 0.00 0.00 178.00 176.95 3fxy n SER 277 N -2.70 0.41 -4.25 1.44 3.41 -1.26 -4.58 113.62 106.09 3fxy n SER 277 Ca -0.02 0.43 -0.38 0.00 -0.26 0.00 0.00 58.87 58.64 3fxy n SER 277 Cb 0.24 -0.49 -0.12 0.00 -0.26 0.00 0.00 64.21 63.58 3fxy n SER 277 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 3fxy s ASN 278 N -3.69 5.36 -0.03 4.04 2.47 0.24 -4.95 114.94 118.38 3fxy s ASN 278 Ca 0.12 -1.31 0.05 0.00 0.42 0.00 0.00 52.86 52.14 3fxy s ASN 278 Cb 0.16 -1.88 0.08 0.00 -1.45 0.00 0.00 41.25 38.15 3fxy s ASN 278 CO 0.59 -0.39 1.00 0.35 -3.72 0.00 0.00 177.10 174.93 3fxy n THR 279 N 4.81 1.13 -1.98 -5.21 -2.24 -1.26 -4.79 114.28 104.73 3fxy n THR 279 Ca -0.11 -1.23 -0.29 0.00 -2.27 0.00 0.00 64.05 60.15 3fxy n THR 279 Cb 0.44 0.34 0.20 0.00 -2.10 0.00 0.00 70.33 69.20 3fxy n THR 279 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3fxy n GLY 280 N -0.70 -1.30 3.71 3.38 0.00 -1.26 -4.98 105.19 104.04 3fxy n GLY 280 Ca 0.04 -1.74 -0.42 0.00 0.00 0.00 0.00 46.02 43.90 3fxy n GLY 280 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3fxy s ILE 281 N -3.81 3.44 0.00 -0.61 -1.09 -1.26 -3.03 121.20 114.84 3fxy s ILE 281 Ca 0.74 1.02 0.00 0.00 -2.23 0.00 0.00 60.65 60.18 3fxy s ILE 281 Cb -0.02 -3.66 0.00 0.00 -1.58 0.00 0.00 42.46 37.20 3fxy s ILE 281 CO 0.52 0.08 0.00 0.61 -1.23 0.00 0.00 174.94 174.91 3fxy n GLY 282 N 3.46 0.60 3.76 6.18 0.00 -0.63 -4.97 105.19 113.59 3fxy n GLY 282 Ca 0.11 -0.31 -0.40 0.00 0.00 0.00 0.00 46.02 45.42 3fxy n GLY 282 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fxy s ALA 283 N -2.00 3.43 0.40 4.61 0.00 -1.17 -4.64 121.76 122.39 3fxy s ALA 283 Ca 0.00 0.99 -0.27 0.00 0.00 0.00 0.00 51.96 52.68 3fxy s ALA 283 Cb 0.00 -3.36 -0.10 0.00 0.00 0.00 0.00 23.12 19.65 3fxy s ALA 283 CO 0.00 -0.28 1.43 -0.35 0.00 0.00 0.00 175.76 176.56 3fxy n PRO 284 N 1.12 2.43 -4.30 0.00 -0.04 -1.26 -0.94 135.00 132.01 3fxy n PRO 284 Ca -0.01 0.86 -0.21 0.00 -0.04 0.00 0.00 63.50 64.10 3fxy n PRO 284 Cb 0.44 -2.59 -0.11 0.00 -0.04 0.00 0.00 33.50 31.19 3fxy n PRO 284 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 3fxy s THR 285 N -1.14 1.65 -1.50 0.52 -4.23 -0.72 -1.98 115.64 108.23 3fxy s THR 285 Ca 0.56 -1.81 0.13 0.00 -1.18 0.00 0.00 61.69 59.40 3fxy s THR 285 Cb -0.48 -1.71 0.18 0.00 1.34 0.00 0.00 72.50 71.83 3fxy s THR 285 CO 0.61 -0.32 1.02 -1.54 -0.54 0.00 0.00 174.62 173.86 3fxy n SER 286 N 0.47 2.38 0.00 3.99 3.41 -0.13 -4.63 113.62 119.10 3fxy n SER 286 Ca -0.15 -1.67 0.00 0.00 -0.26 0.00 0.00 58.87 56.79 3fxy n SER 286 Cb 0.57 -0.08 0.00 0.00 -0.26 0.00 0.00 64.21 64.44 3fxy n SER 286 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3fxy n GLY 287 N 0.73 -0.59 3.77 5.00 0.00 -1.26 -4.97 105.19 107.87 3fxy n GLY 287 Ca 0.09 -1.34 -0.39 0.00 0.00 0.00 0.00 46.02 44.38 3fxy n GLY 287 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fxy s ALA 288 N -1.96 3.25 1.08 4.61 0.00 -1.26 -0.74 121.76 126.74 3fxy s ALA 288 Ca 0.00 1.23 -0.14 0.00 0.00 0.00 0.00 51.96 53.05 3fxy s ALA 288 Cb 0.00 -3.49 0.23 0.00 0.00 0.00 0.00 23.12 19.86 3fxy s ALA 288 CO 0.00 -0.84 1.09 0.20 0.00 0.00 0.00 175.76 176.21 3fxy s GLY 289 N -0.75 1.56 0.43 0.00 0.00 -0.79 -4.33 107.32 103.43 3fxy s GLY 289 Ca 0.57 -0.52 -0.23 0.00 0.00 0.00 0.00 44.72 44.55 3fxy s GLY 289 CO 0.49 0.18 1.03 2.56 0.00 0.00 0.00 173.10 177.36 3fxy s PRO 290 N -5.04 4.08 0.43 2.90 0.04 -1.26 -1.97 135.00 134.17 3fxy s PRO 290 Ca 0.67 1.40 -0.25 0.00 0.04 0.00 0.00 61.00 62.86 3fxy s PRO 290 Cb -0.17 -2.37 -0.08 0.00 0.04 0.00 0.00 34.50 31.93 3fxy s PRO 290 CO 0.58 -0.20 1.28 0.00 0.04 0.00 0.00 177.00 178.70 3fxy s ALA 291 N -1.82 3.17 0.79 8.56 0.00 -1.26 -4.42 121.76 126.78 3fxy s ALA 291 Ca 0.61 1.19 -0.12 0.00 0.00 0.00 0.00 51.96 53.64 3fxy s ALA 291 Cb -0.18 -3.47 0.07 0.00 0.00 0.00 0.00 23.12 19.53 3fxy s ALA 291 CO 0.23 -0.84 1.16 0.20 0.00 0.00 0.00 175.76 176.51 3fxy s GLY 292 N -0.87 1.60 0.00 0.00 0.00 -1.26 -4.88 107.32 101.92 3fxy s GLY 292 Ca 0.59 -0.58 0.27 0.00 0.00 0.00 0.00 44.72 45.01 3fxy s GLY 292 CO 0.46 -0.11 1.89 -1.55 0.00 0.00 0.00 173.10 173.79 3fxy n PRO 293 N -3.28 0.11 -0.10 2.90 -0.04 -1.26 -1.97 135.00 131.37 3fxy n PRO 293 Ca 0.08 0.03 -0.12 0.00 -0.04 0.00 0.00 63.50 63.45 3fxy n PRO 293 Cb 0.60 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.52 3fxy n PRO 293 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3fxy n TYR 294 N -1.44 0.04 0.08 0.54 4.02 -1.26 -4.65 117.16 114.49 3fxy n TYR 294 Ca 0.08 0.02 -0.04 0.00 -0.01 0.00 0.00 57.90 57.95 3fxy n TYR 294 Cb 0.29 -0.59 -0.07 0.00 -0.02 0.00 0.00 39.34 38.95 3fxy n TYR 294 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3fxy h ALA 295 N -1.00 0.47 -6.50 -0.72 0.00 -1.96 -3.41 119.26 106.14 3fxy h ALA 295 Ca -0.11 -0.77 -0.51 0.00 0.00 0.00 0.00 54.91 53.52 3fxy h ALA 295 Cb 1.08 -0.11 -0.11 0.00 0.00 0.00 0.00 17.79 18.64 3fxy h ALA 295 CO -0.07 1.05 -0.80 1.63 0.00 0.00 0.00 179.25 181.06 3fxy n LYS 296 N -3.30 -4.41 -4.05 0.00 5.02 -0.83 -4.97 118.16 105.63 3fxy n LYS 296 Ca 0.00 0.49 -0.35 0.00 -2.02 0.00 0.00 58.31 56.44 3fxy n LYS 296 Cb 0.87 -5.28 -0.14 0.00 -0.02 0.00 0.00 35.03 30.47 3fxy n LYS 296 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3fxy s GLU 297 N -6.74 3.45 0.26 1.97 2.02 -1.26 -4.91 118.70 113.48 3fxy s GLU 297 Ca 0.66 -0.60 -0.30 0.00 0.02 0.00 0.00 54.97 54.75 3fxy s GLU 297 Cb -0.35 -2.99 -0.11 0.00 0.10 0.00 0.00 34.13 30.78 3fxy s GLU 297 CO 0.88 -0.09 1.58 0.45 0.02 0.00 0.00 175.26 178.10 3fxy s SER 298 N 1.22 6.45 -0.61 -0.19 0.15 -1.26 -2.08 113.70 117.38 3fxy s SER 298 Ca 0.03 2.85 0.00 0.00 0.70 0.00 0.00 55.95 59.52 3fxy s SER 298 Cb -0.14 -2.62 0.00 0.00 -1.71 0.00 0.00 66.02 61.54 3fxy s SER 298 CO -0.01 -0.87 0.00 0.61 1.20 0.00 0.00 173.24 174.17 3fxy n GLY 299 N 2.66 0.76 2.90 9.45 0.00 -0.83 -4.91 105.19 115.22 3fxy n GLY 299 Ca 0.10 -0.29 -0.15 0.00 0.00 0.00 0.00 46.02 45.67 3fxy n GLY 299 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3fxy s ILE 300 N -1.98 0.25 -0.08 -0.61 1.01 -0.88 -1.46 121.20 117.45 3fxy s ILE 300 Ca 0.00 -0.09 0.03 0.00 0.00 0.00 0.00 60.65 60.60 3fxy s ILE 300 Cb 0.00 -0.25 0.01 0.00 0.01 0.00 0.00 42.46 42.22 3fxy s ILE 300 CO 0.00 0.10 -0.19 0.26 0.00 0.00 0.00 174.94 175.11 3fxy s TRP 301 N 0.22 2.03 0.82 3.97 0.51 -0.75 -3.98 118.94 121.76 3fxy s TRP 301 Ca -0.02 -0.79 -0.14 0.00 -2.12 0.00 0.00 56.10 53.03 3fxy s TRP 301 Cb -0.05 -1.40 0.05 0.00 -0.81 0.00 0.00 33.47 31.26 3fxy s TRP 301 CO -0.00 -0.34 0.92 0.00 -0.51 0.00 0.00 176.95 177.02 3fxy n ALA 302 N 3.62 -0.81 -0.30 0.98 0.00 -1.26 -1.39 120.51 121.35 3fxy n ALA 302 Ca -0.21 -0.37 0.04 0.00 0.00 0.00 0.00 53.44 52.91 3fxy n ALA 302 Cb 0.52 -2.09 0.19 0.00 0.00 0.00 0.00 19.45 18.08 3fxy n ALA 302 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 3fxy h TYR 303 N -0.95 0.85 -0.14 0.00 3.20 -0.81 -0.81 116.97 118.32 3fxy h TYR 303 Ca -0.45 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.38 3fxy h TYR 303 Cb 1.31 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 39.31 3fxy h TYR 303 CO 0.43 0.31 -0.21 0.10 -1.64 0.00 0.00 178.16 177.15 3fxy h TYR 304 N 0.76 0.26 -0.43 -3.82 -0.00 -1.83 -1.52 116.97 110.39 3fxy h TYR 304 Ca 0.42 -0.04 -0.09 0.00 -0.00 0.00 0.00 58.73 59.02 3fxy h TYR 304 Cb 0.45 -0.07 -0.02 0.00 -0.00 0.00 0.00 36.73 37.09 3fxy h TYR 304 CO -0.06 0.45 -0.11 0.93 -0.00 0.00 0.00 178.16 179.36 3fxy h GLU 305 N 0.22 0.77 -0.68 0.10 5.08 -1.54 -2.93 114.58 115.61 3fxy h GLU 305 Ca 0.04 -0.25 -0.06 0.00 -1.00 0.00 0.00 59.36 58.08 3fxy h GLU 305 Cb 0.51 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.66 3fxy h GLU 305 CO 0.03 0.85 0.17 0.82 -1.00 0.00 0.00 179.01 179.89 3fxy h ILE 306 N 0.70 1.26 -0.78 3.13 2.04 -0.53 -2.89 117.51 120.43 3fxy h ILE 306 Ca 0.12 -0.94 0.06 0.00 1.00 0.00 0.00 64.86 65.10 3fxy h ILE 306 Cb 0.59 0.55 -0.05 0.00 -0.74 0.00 0.00 36.82 37.17 3fxy h ILE 306 CO 0.04 0.36 0.51 0.00 0.00 0.00 0.00 178.15 179.06 3fxy h THR 308 N 0.88 1.26 -0.64 0.00 2.02 -1.38 -0.06 112.91 114.98 3fxy h THR 308 Ca 0.33 -0.73 -0.01 0.00 0.77 0.00 0.00 66.41 66.76 3fxy h THR 308 Cb 0.18 0.18 -0.03 0.00 -1.74 0.00 0.00 68.15 66.74 3fxy h THR 308 CO -0.11 0.31 0.35 0.15 0.37 0.00 0.00 175.52 176.59 3fxy h PHE 309 N 1.21 0.88 -0.48 3.16 3.57 -0.92 -1.48 116.94 122.88 3fxy h PHE 309 Ca 0.29 -0.02 -0.12 0.00 3.53 0.00 0.00 57.97 61.65 3fxy h PHE 309 Cb 0.12 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 38.57 3fxy h PHE 309 CO 0.02 0.63 -0.16 -0.07 -2.23 0.00 0.00 178.31 176.50 3fxy h LEU 310 N 0.87 0.98 -1.92 0.59 3.38 -0.91 -2.89 115.31 115.42 3fxy h LEU 310 Ca 0.22 -0.38 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 3fxy h LEU 310 Cb 0.05 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.53 3fxy h LEU 310 CO -0.04 1.14 -0.06 0.11 0.09 0.00 0.00 178.44 179.68 3fxy h LYS 311 N 0.82 0.00 -0.88 1.13 1.57 -0.68 -1.84 116.57 116.69 3fxy h LYS 311 Ca 0.12 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.85 3fxy h LYS 311 Cb 0.73 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.02 3fxy h LYS 311 CO 0.06 0.06 0.05 0.09 -0.57 0.00 0.00 179.45 179.15 3fxy n ASN 312 N -4.38 2.92 0.00 0.86 3.02 -0.58 -4.89 115.26 112.20 3fxy n ASN 312 Ca -0.03 -2.41 0.00 0.00 -0.03 0.00 0.00 54.58 52.11 3fxy n ASN 312 Cb 0.15 -0.58 0.00 0.00 -0.61 0.00 0.00 39.78 38.73 3fxy n ASN 312 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3fxy n GLY 313 N 0.16 0.68 3.78 7.41 0.00 -0.69 -5.03 105.19 111.49 3fxy n GLY 313 Ca 0.13 -0.14 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 3fxy n GLY 313 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fxy s ALA 314 N -2.00 3.57 0.04 4.61 0.00 -1.14 -4.94 121.76 121.89 3fxy s ALA 314 Ca 0.00 1.59 -0.30 0.00 0.00 0.00 0.00 51.96 53.24 3fxy s ALA 314 Cb 0.00 -3.62 -0.06 0.00 0.00 0.00 0.00 23.12 19.45 3fxy s ALA 314 CO 0.00 -1.08 1.28 0.99 0.00 0.00 0.00 175.76 176.95 3fxy s THR 315 N -1.12 3.87 -0.17 0.00 2.01 -0.13 -4.84 115.64 115.26 3fxy s THR 315 Ca 0.53 1.30 -0.17 0.00 0.31 0.00 0.00 61.69 63.66 3fxy s THR 315 Cb -0.47 -3.84 -0.04 0.00 0.01 0.00 0.00 72.50 68.17 3fxy s THR 315 CO 0.64 0.06 0.44 -1.10 -0.69 0.00 0.00 174.62 173.97 3fxy s GLN 316 N 1.58 4.25 0.18 4.92 -0.21 -1.26 -1.95 119.66 127.16 3fxy s GLN 316 Ca 0.60 0.32 0.11 0.00 0.02 0.00 0.00 55.36 56.42 3fxy s GLN 316 Cb -0.30 -3.49 -0.04 0.00 1.00 0.00 0.00 33.01 30.17 3fxy s GLN 316 CO 0.27 0.04 -0.23 0.20 -2.12 0.00 0.00 175.29 173.45 3fxy s GLY 317 N 0.86 1.69 -0.22 3.09 0.00 0.84 -5.01 107.32 108.57 3fxy s GLY 317 Ca 0.22 -1.58 0.02 0.00 0.00 0.00 0.00 44.72 43.38 3fxy s GLY 317 CO 0.09 -1.60 -0.15 0.86 0.00 0.00 0.00 173.10 172.30 3fxy s TRP 318 N -1.54 3.00 -1.31 1.90 -0.11 -1.26 -1.07 118.94 118.54 3fxy s TRP 318 Ca 0.20 -1.98 -0.16 0.00 1.22 0.00 0.00 56.10 55.38 3fxy s TRP 318 Cb -0.08 -1.91 0.09 0.00 -1.50 0.00 0.00 33.47 30.07 3fxy s TRP 318 CO 0.10 -0.84 1.78 -3.47 -4.62 0.00 0.00 176.95 169.90 3fxy n ASP 319 N 4.53 4.81 -0.16 5.86 4.64 -0.09 -4.88 116.55 131.26 3fxy n ASP 319 Ca -0.17 -2.93 -0.02 0.00 -1.38 0.00 0.00 54.79 50.28 3fxy n ASP 319 Cb 0.46 -1.68 0.05 0.00 -1.04 0.00 0.00 41.12 38.91 3fxy n ASP 319 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3fxy h ALA 320 N 7.08 0.43 -0.17 -1.67 0.00 -1.97 -0.14 119.26 122.81 3fxy h ALA 320 Ca 0.44 0.16 0.05 0.00 0.00 0.00 0.00 54.91 55.56 3fxy h ALA 320 Cb 0.81 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 3fxy h ALA 320 CO 1.51 -0.40 0.14 -1.35 0.00 0.00 0.00 179.25 179.14 3fxy h PRO 321 N 0.08 0.00 -0.01 0.00 0.11 -1.92 -2.62 132.00 127.65 3fxy h PRO 321 Ca 0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.36 3fxy h PRO 321 Cb 0.37 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.48 3fxy h PRO 321 CO -0.44 0.00 -0.46 1.04 -0.21 0.00 0.00 178.00 177.93 3fxy n GLN 322 N -4.28 1.52 -3.33 1.05 6.02 -0.59 -4.48 117.38 113.28 3fxy n GLN 322 Ca 0.01 -0.69 -0.21 0.00 -0.01 0.00 0.00 57.00 56.10 3fxy n GLN 322 Cb 0.27 -1.33 0.06 0.00 1.02 0.00 0.00 30.24 30.26 3fxy n GLN 322 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 3fxy n GLU 323 N -0.35 -6.42 -4.01 -1.09 -0.58 -0.17 -1.20 120.64 106.81 3fxy n GLU 323 Ca 0.07 0.77 -0.10 0.00 -0.42 0.00 0.00 57.16 57.48 3fxy n GLU 323 Cb 0.35 -5.55 -0.11 0.00 -0.57 0.00 0.00 31.44 25.57 3fxy n GLU 323 CO 0.00 0.00 0.00 0.14 -0.48 0.00 0.00 177.13 176.79 3fxy s VAL 324 N -3.24 0.26 0.65 2.62 -7.23 -1.19 -4.55 120.40 107.72 3fxy s VAL 324 Ca 0.46 -1.03 -0.08 0.00 -1.81 0.00 0.00 61.98 59.52 3fxy s VAL 324 Cb -0.20 -0.46 0.02 0.00 0.56 0.00 0.00 36.38 36.30 3fxy s VAL 324 CO 0.57 -0.50 0.99 -2.16 -0.31 0.00 0.00 175.10 173.68 3fxy s PRO 325 N -1.68 2.72 0.16 4.82 0.04 -1.25 -0.92 135.00 138.90 3fxy s PRO 325 Ca -0.12 0.08 -0.09 0.00 0.04 0.00 0.00 61.00 60.90 3fxy s PRO 325 Cb -0.09 -2.17 -0.01 0.00 0.04 0.00 0.00 34.50 32.27 3fxy s PRO 325 CO -0.01 -0.93 0.28 1.52 0.04 0.00 0.00 177.00 177.90 3fxy s TYR 326 N -3.16 0.39 0.04 0.56 -0.85 -0.23 -3.24 117.35 110.86 3fxy s TYR 326 Ca 0.56 -0.76 -0.11 0.00 -0.52 0.00 0.00 57.07 56.25 3fxy s TYR 326 Cb -0.11 -0.06 0.01 0.00 0.38 0.00 0.00 41.96 42.19 3fxy s TYR 326 CO 0.47 -0.72 0.23 0.00 -1.52 0.00 0.00 175.55 174.01 3fxy s ALA 327 N -3.97 -0.48 -0.03 9.51 0.00 -0.50 -0.11 121.76 126.18 3fxy s ALA 327 Ca 0.17 -0.15 -0.17 0.00 0.00 0.00 0.00 51.96 51.80 3fxy s ALA 327 Cb 0.03 0.27 0.03 0.00 0.00 0.00 0.00 23.12 23.46 3fxy s ALA 327 CO -0.00 -0.37 0.38 1.52 0.00 0.00 0.00 175.76 177.29 3fxy s TYR 328 N -2.45 -0.28 -0.16 0.00 1.13 -0.82 -0.47 117.35 114.30 3fxy s TYR 328 Ca -0.06 0.48 -0.04 0.00 -1.41 0.00 0.00 57.07 56.04 3fxy s TYR 328 Cb -0.01 0.15 0.08 0.00 -1.10 0.00 0.00 41.96 41.07 3fxy s TYR 328 CO -0.03 -0.41 0.22 -1.14 -2.51 0.00 0.00 175.55 171.68 3fxy s GLN 329 N -1.16 0.14 8.00 -3.49 2.00 0.01 -0.95 119.66 124.21 3fxy s GLN 329 Ca -0.12 0.43 0.00 0.00 -2.00 0.00 0.00 55.36 53.67 3fxy s GLN 329 Cb -0.04 -0.68 0.00 0.00 0.80 0.00 0.00 33.01 33.09 3fxy s GLN 329 CO 0.05 -0.48 0.00 0.41 -0.50 0.00 0.00 175.29 174.77 3fxy n GLY 330 N 5.33 4.34 0.91 2.59 0.00 -1.26 -1.66 105.19 115.44 3fxy n GLY 330 Ca -0.05 0.13 0.08 0.00 0.00 0.00 0.00 46.02 46.18 3fxy n GLY 330 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3fxy n ASN 331 N 8.72 2.63 -4.46 1.61 6.94 -1.26 -4.71 115.26 124.73 3fxy n ASN 331 Ca 0.00 -1.99 -0.33 0.00 -0.02 0.00 0.00 54.58 52.24 3fxy n ASN 331 Cb 0.00 -0.32 -0.13 0.00 -2.36 0.00 0.00 39.78 36.97 3fxy n ASN 331 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 3fxy s VAL 332 N -1.36 3.55 -0.01 3.53 1.01 -0.66 -0.13 120.40 126.33 3fxy s VAL 332 Ca 0.33 -0.49 0.04 0.00 0.00 0.00 0.00 61.98 61.86 3fxy s VAL 332 Cb 0.17 -2.52 -0.01 0.00 0.00 0.00 0.00 36.38 34.02 3fxy s VAL 332 CO 0.23 0.52 -0.12 0.86 0.00 0.00 0.00 175.10 176.59 3fxy s TRP 333 N 0.24 1.10 -0.03 5.22 -0.00 -0.95 -0.81 118.94 123.70 3fxy s TRP 333 Ca -0.05 -0.23 0.02 0.00 -0.00 0.00 0.00 56.10 55.84 3fxy s TRP 333 Cb -0.15 -0.73 0.01 0.00 -0.00 0.00 0.00 33.47 32.61 3fxy s TRP 333 CO 0.04 -0.05 -0.08 0.54 -0.00 0.00 0.00 176.95 177.41 3fxy s VAL 334 N -0.16 0.72 -0.17 5.86 0.11 0.37 -0.78 120.40 126.35 3fxy s VAL 334 Ca 0.02 -0.29 -0.05 0.00 -2.93 0.00 0.00 61.98 58.73 3fxy s VAL 334 Cb -0.06 -0.67 -0.03 0.00 -1.53 0.00 0.00 36.38 34.09 3fxy s VAL 334 CO -0.00 0.24 0.01 -0.83 -3.33 0.00 0.00 175.10 171.19 3fxy s GLY 335 N 0.45 1.80 0.00 6.54 0.00 -0.53 -1.41 107.32 114.17 3fxy s GLY 335 Ca -0.07 -0.80 0.00 0.00 0.00 0.00 0.00 44.72 43.85 3fxy s GLY 335 CO 0.01 0.01 0.00 1.58 0.00 0.00 0.00 173.10 174.69 3fxy n TYR 336 N 3.58 -0.56 -4.57 1.90 4.11 -1.20 -1.59 117.16 118.84 3fxy n TYR 336 Ca -0.17 0.00 -0.22 0.00 -0.00 0.00 0.00 57.90 57.51 3fxy n TYR 336 Cb 0.52 0.00 -0.15 0.00 -0.00 0.00 0.00 39.34 39.71 3fxy n TYR 336 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.86 176.35 3fxy s ASP 337 N -0.21 1.50 0.00 9.48 1.11 -1.26 -3.88 116.67 123.41 3fxy s ASP 337 Ca 0.00 -0.23 0.00 0.00 0.18 0.00 0.00 52.55 52.50 3fxy s ASP 337 Cb 0.00 -0.23 0.00 0.00 1.07 0.00 0.00 42.92 43.76 3fxy s ASP 337 CO 0.00 0.14 0.00 -0.46 1.18 0.00 0.00 175.17 176.03 3fxy n ASN 338 N 2.90 1.70 -0.18 0.27 0.23 -1.26 -4.90 115.26 114.01 3fxy n ASN 338 Ca -0.15 -0.81 -0.06 0.00 -0.53 0.00 0.00 54.58 53.03 3fxy n ASN 338 Cb 0.55 0.00 0.04 0.00 -2.08 0.00 0.00 39.78 38.29 3fxy n ASN 338 CO 0.00 0.00 0.00 0.58 -0.93 0.00 0.00 177.26 176.91 3fxy h VAL 339 N 0.81 1.10 -0.06 3.53 2.07 -1.95 -1.71 116.25 120.04 3fxy h VAL 339 Ca 0.00 -0.24 0.01 0.00 0.82 0.00 0.00 66.70 67.30 3fxy h VAL 339 Cb 0.00 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 30.11 3fxy h VAL 339 CO 0.00 0.13 -0.03 0.50 0.02 0.00 0.00 177.57 178.19 3fxy h LYS 340 N 0.69 -0.03 -0.43 1.57 3.64 -1.99 -1.07 116.57 118.95 3fxy h LYS 340 Ca 0.21 0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 59.45 3fxy h LYS 340 Cb -0.03 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.79 3fxy h LYS 340 CO -0.07 -0.02 -0.28 0.66 -2.27 0.00 0.00 179.45 177.47 3fxy h SER 341 N -0.03 0.97 -0.53 4.20 4.64 -1.78 -1.14 113.55 119.89 3fxy h SER 341 Ca 0.03 -0.40 0.01 0.00 -0.47 0.00 0.00 61.79 60.96 3fxy h SER 341 Cb 0.08 -0.27 -0.03 0.00 -0.31 0.00 0.00 62.40 61.87 3fxy h SER 341 CO -0.07 1.18 0.35 -0.26 -0.87 0.00 0.00 176.83 177.15 3fxy h PHE 342 N 0.79 0.66 -0.43 4.77 -1.00 -1.22 -1.61 116.94 118.91 3fxy h PHE 342 Ca 0.09 0.02 -0.03 0.00 2.81 0.00 0.00 57.97 60.85 3fxy h PHE 342 Cb 0.86 -0.22 -0.02 0.00 3.61 0.00 0.00 35.95 40.18 3fxy h PHE 342 CO 0.05 0.41 0.14 0.22 -1.61 0.00 0.00 178.31 177.52 3fxy h ASP 343 N 0.71 0.62 -0.34 2.17 3.58 -0.98 -0.14 116.42 122.04 3fxy h ASP 343 Ca 0.19 -0.20 0.02 0.00 0.42 0.00 0.00 57.03 57.46 3fxy h ASP 343 Cb -0.08 -0.16 -0.03 0.00 1.72 0.00 0.00 39.33 40.79 3fxy h ASP 343 CO -0.05 0.66 0.18 0.40 -2.88 0.00 0.00 179.24 177.55 3fxy h ILE 344 N 0.55 1.01 -0.18 2.25 2.04 -1.08 -0.52 117.51 121.58 3fxy h ILE 344 Ca 0.14 -0.13 -0.13 0.00 1.00 0.00 0.00 64.86 65.74 3fxy h ILE 344 Cb 0.26 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 36.93 3fxy h ILE 344 CO -0.01 0.07 -0.44 0.11 0.00 0.00 0.00 178.15 177.89 3fxy h LYS 345 N 0.37 0.43 -0.26 2.37 1.57 -1.22 -1.32 116.57 118.51 3fxy h LYS 345 Ca 0.14 -0.22 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 3fxy h LYS 345 Cb 0.03 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 3fxy h LYS 345 CO -0.08 0.79 0.13 0.00 -0.57 0.00 0.00 179.45 179.72 3fxy h ALA 346 N 1.18 0.33 -0.48 3.86 0.00 -0.71 -0.26 119.26 123.18 3fxy h ALA 346 Ca 0.03 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.87 3fxy h ALA 346 Cb 0.91 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 3fxy h ALA 346 CO 0.08 -0.12 0.30 1.96 0.00 0.00 0.00 179.25 181.47 3fxy h GLN 347 N 0.29 0.60 -0.57 0.00 1.08 -0.97 -2.37 115.11 113.18 3fxy h GLN 347 Ca 0.09 -0.04 0.06 0.00 -1.45 0.00 0.00 58.65 57.32 3fxy h GLN 347 Cb 0.10 -0.13 -0.05 0.00 -0.05 0.00 0.00 27.48 27.34 3fxy h GLN 347 CO -0.01 0.39 0.27 2.35 -0.95 0.00 0.00 178.83 180.88 3fxy h TRP 348 N 0.61 0.48 -0.59 2.96 7.01 -1.03 -1.73 115.95 123.67 3fxy h TRP 348 Ca 0.18 0.02 0.06 0.00 2.11 0.00 0.00 58.89 61.26 3fxy h TRP 348 Cb -0.03 -0.13 -0.05 0.00 -2.10 0.00 0.00 29.16 26.84 3fxy h TRP 348 CO -0.05 0.20 0.30 1.25 -2.79 0.00 0.00 178.44 177.35 3fxy h LEU 349 N 0.50 0.42 -0.44 0.65 6.46 -0.80 -1.90 115.31 120.21 3fxy h LEU 349 Ca 0.26 0.04 -0.05 0.00 -0.12 0.00 0.00 57.88 58.01 3fxy h LEU 349 Cb 0.22 -0.04 -0.02 0.00 -0.73 0.00 0.00 40.66 40.09 3fxy h LEU 349 CO -0.21 0.28 0.09 0.11 -0.62 0.00 0.00 178.44 178.09 3fxy h LYS 350 N 0.56 0.71 -0.35 1.25 1.57 -0.98 -1.56 116.57 117.78 3fxy h LYS 350 Ca 0.27 -0.18 0.01 0.00 -1.87 0.00 0.00 60.65 58.87 3fxy h LYS 350 Cb 0.19 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 3fxy h LYS 350 CO -0.19 0.73 0.23 0.45 -0.57 0.00 0.00 179.45 180.10 3fxy h HIS 351 N 0.58 0.43 -0.13 -1.35 3.86 -0.92 -1.90 115.15 115.72 3fxy h HIS 351 Ca 0.14 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.36 3fxy h HIS 351 Cb 0.35 -0.14 0.00 0.00 1.06 0.00 0.00 27.41 28.67 3fxy h HIS 351 CO 0.02 0.27 0.00 0.09 0.86 0.00 0.00 177.93 179.17 3fxy n ASN 352 N -4.49 2.37 -3.60 2.45 3.02 -0.75 -4.98 115.26 109.29 3fxy n ASN 352 Ca 0.02 -1.79 -0.24 0.00 -0.03 0.00 0.00 54.58 52.54 3fxy n ASN 352 Cb 0.07 -0.07 0.08 0.00 -0.61 0.00 0.00 39.78 39.24 3fxy n ASN 352 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3fxy n LYS 353 N 0.82 -7.80 -1.74 3.52 5.02 -0.63 -5.02 118.16 112.33 3fxy n LYS 353 Ca 0.17 0.82 -0.30 0.00 -2.02 0.00 0.00 58.31 56.98 3fxy n LYS 353 Cb 0.47 -5.87 0.06 0.00 -0.02 0.00 0.00 35.03 29.67 3fxy n LYS 353 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 3fxy s PHE 354 N -3.31 3.16 -0.39 2.13 0.40 -0.91 -4.10 117.98 114.95 3fxy s PHE 354 Ca 0.59 1.13 0.26 0.00 -0.60 0.00 0.00 56.93 58.31 3fxy s PHE 354 Cb -0.26 -3.05 1.00 0.00 0.51 0.00 0.00 43.02 41.22 3fxy s PHE 354 CO 0.72 -1.35 1.78 0.78 0.70 0.00 0.00 175.22 177.85 3fxy h GLY 355 N -0.78 0.00 0.00 4.36 0.00 -0.29 -3.46 103.07 102.89 3fxy h GLY 355 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 3fxy h GLY 355 CO 0.62 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.77 3fxy n GLY 356 N 0.32 0.46 3.34 4.60 0.00 -1.25 -0.76 105.19 111.90 3fxy n GLY 356 Ca 0.03 -1.56 -0.27 0.00 0.00 0.00 0.00 46.02 44.21 3fxy n GLY 356 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fxy s ALA 357 N -1.00 2.12 0.16 4.61 0.00 -0.52 -1.17 121.76 125.96 3fxy s ALA 357 Ca 0.00 -1.32 0.10 0.00 0.00 0.00 0.00 51.96 50.74 3fxy s ALA 357 Cb 0.00 -0.35 -0.04 0.00 0.00 0.00 0.00 23.12 22.73 3fxy s ALA 357 CO 0.00 0.47 -0.23 0.00 0.00 0.00 0.00 175.76 176.00 3fxy s MET 358 N -1.77 1.38 -0.14 0.00 0.23 0.88 -1.38 119.30 118.49 3fxy s MET 358 Ca 0.11 -1.40 0.01 0.00 -1.03 0.00 0.00 55.69 53.37 3fxy s MET 358 Cb -0.10 -1.69 0.02 0.00 -1.53 0.00 0.00 34.83 31.53 3fxy s MET 358 CO 0.04 0.37 -0.16 0.08 -2.03 0.00 0.00 175.02 173.33 3fxy s VAL 359 N -1.51 1.69 -0.39 5.16 1.01 0.96 -0.06 120.40 127.26 3fxy s VAL 359 Ca 0.16 -0.73 -0.05 0.00 0.00 0.00 0.00 61.98 61.36 3fxy s VAL 359 Cb -0.08 -1.56 0.09 0.00 0.00 0.00 0.00 36.38 34.83 3fxy s VAL 359 CO 0.07 0.48 0.18 0.86 0.00 0.00 0.00 175.10 176.69 3fxy s TRP 360 N 1.27 3.43 0.08 5.22 -0.11 -0.82 -1.55 118.94 126.45 3fxy s TRP 360 Ca 0.01 -1.98 -0.02 0.00 1.22 0.00 0.00 56.10 55.34 3fxy s TRP 360 Cb -0.14 -2.88 -0.04 0.00 -1.50 0.00 0.00 33.47 28.91 3fxy s TRP 360 CO -0.08 -0.89 0.02 0.00 -4.62 0.00 0.00 176.95 171.38 3fxy s ALA 361 N 1.27 0.53 0.34 5.86 0.00 -1.26 -1.43 121.76 127.07 3fxy s ALA 361 Ca 0.03 -1.22 0.06 0.00 0.00 0.00 0.00 51.96 50.83 3fxy s ALA 361 Cb -0.22 0.46 0.72 0.00 0.00 0.00 0.00 23.12 24.08 3fxy s ALA 361 CO -0.01 -0.42 1.91 0.97 0.00 0.00 0.00 175.76 178.21 3fxy h ILE 362 N 3.02 0.96 0.00 0.00 2.10 -1.26 -0.91 117.51 121.41 3fxy h ILE 362 Ca -0.34 -0.28 0.00 0.00 1.08 0.00 0.00 64.86 65.32 3fxy h ILE 362 Cb 1.16 0.08 0.00 0.00 -1.09 0.00 0.00 36.82 36.98 3fxy h ILE 362 CO 0.63 0.15 0.00 -0.90 -1.08 0.00 0.00 178.15 176.94 3fxy n ASP 363 N -4.52 0.00 -0.01 2.19 5.68 -1.26 -3.06 116.55 115.57 3fxy n ASP 363 Ca 0.14 -0.38 0.11 0.00 -0.50 0.00 0.00 54.79 54.16 3fxy n ASP 363 Cb 0.32 -0.17 -0.15 0.00 -1.14 0.00 0.00 41.12 39.97 3fxy n ASP 363 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 3fxy n LEU 364 N -1.17 0.34 -4.69 -2.12 4.77 -0.35 -4.92 117.00 108.85 3fxy n LEU 364 Ca 0.15 -0.17 -0.30 0.00 -0.03 0.00 0.00 56.01 55.67 3fxy n LEU 364 Cb 0.16 -0.00 0.15 0.00 -2.33 0.00 0.00 43.42 41.40 3fxy n LEU 364 CO 0.18 0.08 0.66 -0.62 -1.33 0.00 0.00 177.39 176.36 3fxy s ASP 365 N -4.01 3.25 -1.26 -1.43 -1.08 -1.17 -2.25 116.67 108.71 3fxy s ASP 365 Ca -0.03 1.63 -0.18 0.00 -0.52 0.00 0.00 52.55 53.45 3fxy s ASP 365 Cb 0.15 -2.29 0.01 0.00 -1.46 0.00 0.00 42.92 39.33 3fxy s ASP 365 CO 0.90 -2.80 1.90 -0.67 0.52 0.00 0.00 175.17 175.02 3fxy n ASP 366 N -4.00 4.12 0.08 -0.34 2.03 -1.26 -4.68 116.55 112.50 3fxy n ASP 366 Ca 0.07 -2.84 -0.03 0.00 0.52 0.00 0.00 54.79 52.52 3fxy n ASP 366 Cb 0.54 -1.67 0.20 0.00 -0.72 0.00 0.00 41.12 39.48 3fxy n ASP 366 CO 0.00 0.00 0.00 2.19 -1.92 0.00 0.00 177.20 177.47 3fxy h PHE 367 N 7.69 0.33 0.00 -0.67 -0.00 -1.90 -1.42 116.94 120.97 3fxy h PHE 367 Ca 0.43 -0.09 -0.13 0.00 -0.00 0.00 0.00 57.97 58.18 3fxy h PHE 367 Cb 0.82 -0.07 -0.02 0.00 -0.00 0.00 0.00 35.95 36.68 3fxy h PHE 367 CO 1.38 0.66 -0.60 1.79 -0.00 0.00 0.00 178.31 181.53 3fxy h THR 368 N 0.23 1.24 -0.00 0.88 1.35 -1.90 -3.36 112.91 111.34 3fxy h THR 368 Ca 0.02 -2.21 -0.00 0.00 -0.55 0.00 0.00 66.41 63.67 3fxy h THR 368 Cb 0.84 2.26 -0.00 0.00 -1.73 0.00 0.00 68.15 69.52 3fxy h THR 368 CO 0.07 0.59 -0.00 0.61 -0.25 0.00 0.00 175.52 176.54 3fxy n GLY 369 N 0.60 0.44 0.01 5.82 0.00 -0.94 -4.71 105.19 106.42 3fxy n GLY 369 Ca -0.00 -0.03 0.11 0.00 0.00 0.00 0.00 46.02 46.10 3fxy n GLY 369 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3fxy n THR 370 N -2.87 0.07 -0.05 2.61 -2.24 -1.26 -3.98 114.28 106.56 3fxy n THR 370 Ca -0.00 -0.09 -0.16 0.00 -2.27 0.00 0.00 64.05 61.52 3fxy n THR 370 Cb 0.06 0.37 -0.14 0.00 -2.10 0.00 0.00 70.33 68.53 3fxy n THR 370 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 3fxy n PHE 371 N -1.68 0.67 0.42 4.78 3.01 -1.26 -4.69 117.46 118.70 3fxy n PHE 371 Ca 0.04 0.17 0.05 0.00 1.01 0.00 0.00 57.45 58.72 3fxy n PHE 371 Cb 0.37 -1.10 -0.06 0.00 -0.01 0.00 0.00 39.48 38.69 3fxy n PHE 371 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3fxy n ASN 373 N -1.29 -1.93 -0.17 0.00 5.15 -1.26 -4.89 115.26 110.88 3fxy n ASN 373 Ca 0.02 -0.93 0.04 0.00 -0.60 0.00 0.00 54.58 53.10 3fxy n ASN 373 Cb 0.16 -3.34 0.05 0.00 -0.53 0.00 0.00 39.78 36.13 3fxy n ASN 373 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3fxy n GLN 374 N -4.43 1.07 0.00 1.20 6.02 -1.26 -5.12 117.38 114.86 3fxy n GLN 374 Ca -0.16 -1.65 0.00 0.00 -0.01 0.00 0.00 57.00 55.18 3fxy n GLN 374 Cb 0.61 -0.99 0.00 0.00 1.02 0.00 0.00 30.24 30.89 3fxy n GLN 374 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3fxy n GLY 375 N -0.66 -0.62 3.76 1.08 0.00 -1.26 -4.54 105.19 102.95 3fxy n GLY 375 Ca 0.06 -1.72 -0.40 0.00 0.00 0.00 0.00 46.02 43.96 3fxy n GLY 375 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fxy s LYS 376 N -1.68 4.65 -1.21 1.61 1.02 -1.26 -3.84 119.74 119.02 3fxy s LYS 376 Ca 0.00 1.78 -0.18 0.00 0.02 0.00 0.00 55.97 57.59 3fxy s LYS 376 Cb 0.00 -3.20 0.00 0.00 -0.52 0.00 0.00 37.83 34.11 3fxy s LYS 376 CO 0.00 0.22 0.69 1.19 -0.92 0.00 0.00 175.35 176.53 3fxy n PHE 377 N 1.30 -1.76 -0.28 3.18 3.72 -0.58 -4.81 117.46 118.23 3fxy n PHE 377 Ca -0.01 0.46 -0.05 0.00 -0.05 0.00 0.00 57.45 57.80 3fxy n PHE 377 Cb 0.45 -3.40 0.06 0.00 -0.94 0.00 0.00 39.48 35.65 3fxy n PHE 377 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3fxy h PRO 378 N -2.00 1.05 -0.19 -1.08 0.13 -1.75 0.36 132.00 128.53 3fxy h PRO 378 Ca -0.67 -0.11 -0.14 0.00 -0.87 0.00 0.00 66.00 64.22 3fxy h PRO 378 Cb 1.37 -0.21 0.00 0.00 0.13 0.00 0.00 31.00 32.29 3fxy h PRO 378 CO 0.52 0.76 -0.42 -0.07 -0.23 0.00 0.00 178.00 178.56 3fxy h LEU 379 N 1.05 0.69 -0.18 1.56 3.38 -1.93 -2.51 115.31 117.38 3fxy h LEU 379 Ca 0.27 -0.56 -0.22 0.00 0.09 0.00 0.00 57.88 57.47 3fxy h LEU 379 Cb -0.01 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 3fxy h LEU 379 CO -0.05 1.13 -0.95 0.40 0.09 0.00 0.00 178.44 179.06 3fxy h ILE 380 N 0.29 1.48 -0.88 1.22 2.04 -1.93 -3.02 117.51 116.71 3fxy h ILE 380 Ca 0.00 -2.68 0.07 0.00 1.00 0.00 0.00 64.86 63.25 3fxy h ILE 380 Cb 1.02 2.54 -0.06 0.00 -0.74 0.00 0.00 36.82 39.59 3fxy h ILE 380 CO 0.09 0.79 0.57 0.28 0.00 0.00 0.00 178.15 179.88 3fxy h SER 381 N 0.13 0.85 -0.50 1.72 0.02 -0.98 -1.20 113.55 113.60 3fxy h SER 381 Ca -0.06 0.01 0.04 0.00 -0.84 0.00 0.00 61.79 60.94 3fxy h SER 381 Cb 1.61 -0.17 -0.04 0.00 0.14 0.00 0.00 62.40 63.93 3fxy h SER 381 CO 0.15 0.53 0.25 0.74 -1.14 0.00 0.00 176.83 177.36 3fxy h THR 382 N 0.95 0.96 -0.52 -2.27 2.02 -1.32 -1.53 112.91 111.21 3fxy h THR 382 Ca 0.39 -0.17 -0.11 0.00 0.77 0.00 0.00 66.41 67.29 3fxy h THR 382 Cb 0.27 0.43 -0.02 0.00 -1.74 0.00 0.00 68.15 67.09 3fxy h THR 382 CO -0.15 0.09 -0.12 -0.07 0.37 0.00 0.00 175.52 175.64 3fxy h LEU 383 N 0.49 1.00 -0.23 2.58 3.38 -1.35 -0.81 115.31 120.38 3fxy h LEU 383 Ca 0.22 -0.36 0.03 0.00 0.09 0.00 0.00 57.88 57.86 3fxy h LEU 383 Cb 0.13 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 3fxy h LEU 383 CO -0.15 1.13 0.06 0.50 0.09 0.00 0.00 178.44 180.06 3fxy h LYS 384 N 0.86 0.15 0.12 1.13 3.64 -0.98 -0.59 116.57 120.90 3fxy h LYS 384 Ca 0.13 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.50 3fxy h LYS 384 Cb 0.69 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.48 3fxy h LYS 384 CO 0.05 0.10 -0.06 -0.22 -2.27 0.00 0.00 179.45 177.05 3fxy h LYS 385 N 0.15 -0.15 -0.15 1.90 3.64 -1.22 -2.24 116.57 118.51 3fxy h LYS 385 Ca 0.10 0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.45 3fxy h LYS 385 Cb 0.09 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 3fxy h LYS 385 CO -0.12 -0.03 -0.11 0.00 -2.27 0.00 0.00 179.45 176.92 3fxy h ALA 386 N 0.64 1.55 -0.01 5.00 0.00 -0.98 -2.36 119.26 123.09 3fxy h ALA 386 Ca -0.02 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3fxy h ALA 386 Cb 0.19 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3fxy h ALA 386 CO 0.03 0.33 -0.19 1.28 0.00 0.00 0.00 179.25 180.70 3fxy n LEU 387 N -4.30 1.24 -2.86 0.00 4.77 -0.24 -4.91 117.00 110.69 3fxy n LEU 387 Ca -0.01 -0.36 -0.20 0.00 -0.03 0.00 0.00 56.01 55.41 3fxy n LEU 387 Cb 0.25 -0.08 0.05 0.00 -2.33 0.00 0.00 43.42 41.31 3fxy n LEU 387 CO 0.38 0.22 0.09 0.61 -1.33 0.00 0.00 177.39 177.36 3fxy n GLY 388 N 1.30 -0.34 3.74 -0.72 0.00 -0.87 -4.56 105.19 103.73 3fxy n GLY 388 Ca 0.14 0.06 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 3fxy n GLY 388 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fxy s LEU 389 N -6.08 4.37 0.64 0.99 1.43 -1.04 -5.00 118.68 113.99 3fxy s LEU 389 Ca 0.37 2.79 -0.16 0.00 -1.03 0.00 0.00 54.13 56.10 3fxy s LEU 389 Cb -0.16 -3.62 -0.01 0.00 0.03 0.00 0.00 46.19 42.42 3fxy s LEU 389 CO 0.46 -0.82 1.11 -1.58 0.23 0.00 0.00 176.35 175.75 3fxy s GLN 390 N -0.13 2.90 0.00 1.70 -0.44 -1.26 -4.97 119.66 117.46 3fxy s GLN 390 Ca 0.63 1.43 0.00 0.00 -2.50 0.00 0.00 55.36 54.92 3fxy s GLN 390 Cb -0.45 -1.96 0.00 0.00 -1.64 0.00 0.00 33.01 28.96 3fxy s GLN 390 CO 0.43 -1.18 0.58 0.43 0.50 0.00 0.00 175.29 176.05 3fxy n SER 391 N -2.22 1.00 0.12 6.67 7.64 -1.26 -4.81 113.62 120.76 3fxy n SER 391 Ca 0.11 -1.33 0.11 0.00 1.01 0.00 0.00 58.87 58.77 3fxy n SER 391 Cb 0.52 0.00 0.61 0.00 -1.01 0.00 0.00 64.21 64.33 3fxy n SER 391 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3fxy h ALA 392 N 0.00 2.11 0.00 -0.43 0.00 -2.00 -1.89 119.26 117.05 3fxy h ALA 392 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3fxy h ALA 392 Cb 0.40 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3fxy h ALA 392 CO 0.00 -0.17 0.00 -1.13 0.00 0.00 0.00 179.25 177.95 3fxy n SER 393 N -4.48 0.00 -1.13 0.00 3.41 -1.26 -2.67 113.62 107.48 3fxy n SER 393 Ca 0.03 0.30 0.11 0.00 -0.26 0.00 0.00 58.87 59.04 3fxy n SER 393 Cb 0.27 -0.41 0.27 0.00 -0.26 0.00 0.00 64.21 64.08 3fxy n SER 393 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3fxy n THR 395 N 1.34 3.06 -4.04 0.00 5.66 -1.09 -4.84 114.28 114.37 3fxy n THR 395 Ca 0.21 -0.50 -0.23 0.00 -3.05 0.00 0.00 64.05 60.48 3fxy n THR 395 Cb 0.54 -1.46 -0.17 0.00 -1.55 0.00 0.00 70.33 67.69 3fxy n THR 395 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3fxy s ALA 396 N -1.29 0.87 0.73 1.79 0.00 -1.26 -4.95 121.76 117.64 3fxy s ALA 396 Ca 0.67 -0.21 -0.09 0.00 0.00 0.00 0.00 51.96 52.33 3fxy s ALA 396 Cb -0.47 -0.63 0.06 0.00 0.00 0.00 0.00 23.12 22.07 3fxy s ALA 396 CO 0.54 -0.21 1.07 -1.25 0.00 0.00 0.00 175.76 175.90 3fxy s PRO 397 N 1.36 2.25 -1.32 0.00 0.04 -1.26 -4.95 135.00 131.13 3fxy s PRO 397 Ca -0.03 -0.04 -0.11 0.00 0.04 0.00 0.00 61.00 60.85 3fxy s PRO 397 Cb -0.13 -2.09 -0.06 0.00 0.04 0.00 0.00 34.50 32.25 3fxy s PRO 397 CO -0.03 -1.28 2.47 0.00 0.04 0.00 0.00 177.00 178.20 3fxy n ALA 398 N -3.03 5.93 -3.70 8.56 0.00 -1.26 -4.78 120.51 122.23 3fxy n ALA 398 Ca 0.08 -3.21 -0.17 0.00 0.00 0.00 0.00 53.44 50.13 3fxy n ALA 398 Cb 0.60 -3.35 -0.16 0.00 0.00 0.00 0.00 19.45 16.54 3fxy n ALA 398 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3fxy s GLN 399 N 3.03 0.37 0.00 0.00 -0.21 -1.26 -5.40 119.66 116.19 3fxy s GLN 399 Ca 0.56 0.05 0.20 0.00 0.02 0.00 0.00 55.36 56.19 3fxy s GLN 399 Cb 0.15 -0.53 1.20 0.00 1.00 0.00 0.00 33.01 34.84 3fxy s GLN 399 CO -0.04 -0.13 1.59 -0.35 -2.12 0.00 0.00 175.29 174.24