#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hxj n TRP 13 N 0.00 -2.16 0.12 2.13 7.02 -1.26 -4.77 117.44 118.53 3hxj n TRP 13 Ca 0.00 0.87 0.07 0.00 -1.02 0.00 0.00 57.50 57.41 3hxj n TRP 13 Cb 0.00 -3.69 0.54 0.00 -2.42 0.00 0.00 31.31 25.73 3hxj n TRP 13 CO 0.00 0.00 0.00 0.93 -2.02 0.00 0.00 177.69 176.60 3hxj h GLU 14 N -1.91 0.27 0.00 -0.99 5.08 -1.98 0.88 114.58 115.92 3hxj h GLU 14 Ca -0.58 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.77 3hxj h GLU 14 Cb 1.38 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.57 3hxj h GLU 14 CO 0.70 0.18 0.00 1.97 -1.00 0.00 0.00 179.01 180.85 3hxj n PHE 15 N -4.50 0.79 -0.03 4.33 1.16 -1.26 -3.99 117.46 113.95 3hxj n PHE 15 Ca 0.01 0.28 -0.05 0.00 -1.87 0.00 0.00 57.45 55.81 3hxj n PHE 15 Cb 0.10 -0.95 -0.03 0.00 -1.61 0.00 0.00 39.48 37.00 3hxj n PHE 15 CO 0.00 0.00 0.00 -0.11 -1.87 0.00 0.00 176.76 174.78 3hxj n LEU 16 N -2.19 2.41 -4.45 5.98 7.94 -0.27 -5.04 117.00 121.38 3hxj n LEU 16 Ca 0.04 -0.01 -0.33 0.00 -1.11 0.00 0.00 56.01 54.60 3hxj n LEU 16 Cb 0.30 -0.21 -0.13 0.00 0.53 0.00 0.00 43.42 43.91 3hxj n LEU 16 CO 0.23 0.50 -0.43 -0.63 -1.11 0.00 0.00 177.39 175.95 3hxj s ILE 17 N -2.12 3.22 0.71 1.96 -1.09 0.29 -5.12 121.20 119.04 3hxj s ILE 17 Ca -0.08 -0.63 -0.11 0.00 -2.23 0.00 0.00 60.65 57.59 3hxj s ILE 17 Cb 0.02 -2.32 0.02 0.00 -1.58 0.00 0.00 42.46 38.60 3hxj s ILE 17 CO 0.13 0.55 1.07 -0.83 -1.23 0.00 0.00 174.94 174.64 3hxj s GLY 18 N -0.16 1.65 0.04 6.18 0.00 -1.26 -4.27 107.32 109.49 3hxj s GLY 18 Ca 0.00 -0.07 -0.01 0.00 0.00 0.00 0.00 44.72 44.64 3hxj s GLY 18 CO 0.03 0.26 -0.01 -1.31 0.00 0.00 0.00 173.10 172.07 3hxj s ASN 19 N -3.96 0.35 -0.03 1.64 0.01 -1.26 -5.07 114.94 106.62 3hxj s ASN 19 Ca 0.58 -0.75 0.02 0.00 -0.71 0.00 0.00 52.86 52.00 3hxj s ASN 19 Cb -0.13 0.17 0.01 0.00 0.41 0.00 0.00 41.25 41.70 3hxj s ASN 19 CO 0.54 -0.47 -0.08 -0.55 -1.51 0.00 0.00 177.10 175.02 3hxj s SER 20 N -2.26 1.19 0.26 -1.22 0.15 -1.26 -5.14 113.70 105.42 3hxj s SER 20 Ca -0.03 -0.18 -0.24 0.00 0.70 0.00 0.00 55.95 56.19 3hxj s SER 20 Cb -0.00 -0.38 -0.09 0.00 -1.71 0.00 0.00 66.02 63.84 3hxj s SER 20 CO -0.06 0.04 0.84 0.27 1.20 0.00 0.00 173.24 175.54 3hxj s ILE 21 N 0.33 4.35 0.66 6.45 -0.00 -1.26 -5.03 121.20 126.70 3hxj s ILE 21 Ca -0.05 1.64 -0.17 0.00 -0.00 0.00 0.00 60.65 62.07 3hxj s ILE 21 Cb -0.10 -4.00 -0.00 0.00 -0.00 0.00 0.00 42.46 38.36 3hxj s ILE 21 CO 0.01 0.25 1.24 -1.81 -0.00 0.00 0.00 174.94 174.62 3hxj s ASP 22 N -1.52 4.64 -0.14 4.36 1.01 -1.26 -4.97 116.67 118.80 3hxj s ASP 22 Ca 0.45 2.46 -0.26 0.00 0.71 0.00 0.00 52.55 55.91 3hxj s ASP 22 Cb -0.19 -2.60 -0.02 0.00 1.01 0.00 0.00 42.92 41.12 3hxj s ASP 22 CO 0.24 -1.97 0.84 -0.44 0.21 0.00 0.00 175.17 174.04 3hxj s SER 23 N -1.68 7.01 0.02 0.27 0.01 -1.26 -5.06 113.70 113.01 3hxj s SER 23 Ca 0.78 1.24 0.04 0.00 1.31 0.00 0.00 55.95 59.32 3hxj s SER 23 Cb -0.32 -2.46 -0.03 0.00 0.21 0.00 0.00 66.02 63.41 3hxj s SER 23 CO 0.40 -0.35 -0.07 -0.44 0.41 0.00 0.00 173.24 173.19 3hxj s SER 24 N 1.09 4.59 0.29 2.44 0.01 -1.26 -4.81 113.70 116.05 3hxj s SER 24 Ca 0.40 -0.18 -0.29 0.00 1.31 0.00 0.00 55.95 57.19 3hxj s SER 24 Cb -0.17 -1.05 -0.10 0.00 0.21 0.00 0.00 66.02 64.91 3hxj s SER 24 CO 0.15 0.27 1.32 -2.16 0.41 0.00 0.00 173.24 173.22 3hxj s PRO 25 N -1.53 4.37 -0.05 12.44 0.04 -1.24 -4.63 135.00 144.39 3hxj s PRO 25 Ca 0.18 2.18 0.04 0.00 0.04 0.00 0.00 61.00 63.43 3hxj s PRO 25 Cb -0.11 -3.10 -0.02 0.00 0.04 0.00 0.00 34.50 31.30 3hxj s PRO 25 CO 0.09 -0.21 -0.16 0.96 0.04 0.00 0.00 177.00 177.72 3hxj s ILE 26 N -0.76 2.90 -0.32 0.56 -4.36 -0.82 -4.95 121.20 113.45 3hxj s ILE 26 Ca 0.52 -0.78 -0.29 0.00 -0.26 0.00 0.00 60.65 59.84 3hxj s ILE 26 Cb -0.39 -2.13 0.01 0.00 1.25 0.00 0.00 42.46 41.21 3hxj s ILE 26 CO 0.48 0.58 1.12 -0.76 0.24 0.00 0.00 174.94 176.61 3hxj s LEU 27 N -0.58 3.92 0.54 0.37 1.02 -1.26 -1.89 118.68 120.81 3hxj s LEU 27 Ca 0.08 1.08 -0.17 0.00 0.02 0.00 0.00 54.13 55.14 3hxj s LEU 27 Cb -0.11 -3.54 -0.06 0.00 0.02 0.00 0.00 46.19 42.49 3hxj s LEU 27 CO 0.01 -0.92 1.03 0.00 0.02 0.00 0.00 176.35 176.49 3hxj s ALA 28 N 3.79 2.86 0.45 4.21 0.00 0.31 -4.94 121.76 128.44 3hxj s ALA 28 Ca 0.48 0.38 0.11 0.00 0.00 0.00 0.00 51.96 52.93 3hxj s ALA 28 Cb -0.13 -3.20 0.99 0.00 0.00 0.00 0.00 23.12 20.78 3hxj s ALA 28 CO 0.17 -0.52 2.05 0.87 0.00 0.00 0.00 175.76 178.33 3hxj h LYS 29 N 0.86 0.24 0.00 0.00 1.57 -1.88 -1.74 116.57 115.62 3hxj h LYS 29 Ca -0.47 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.28 3hxj h LYS 29 Cb 1.21 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.47 3hxj h LYS 29 CO 0.59 0.23 0.00 0.27 -0.57 0.00 0.00 179.45 179.96 3hxj n ASN 30 N -4.44 0.00 0.00 0.86 6.94 -1.26 -0.48 115.26 116.88 3hxj n ASN 30 Ca -0.00 -1.15 0.00 0.00 -0.02 0.00 0.00 54.58 53.41 3hxj n ASN 30 Cb 0.13 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.55 3hxj n ASN 30 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3hxj n GLY 31 N 0.21 0.87 3.90 4.83 0.00 -0.65 -1.17 105.19 113.18 3hxj n GLY 31 Ca 0.04 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.78 3hxj n GLY 31 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hxj s THR 32 N -2.53 4.13 -0.23 2.61 2.01 -1.24 -4.83 115.64 115.56 3hxj s THR 32 Ca 0.00 0.27 0.00 0.00 0.31 0.00 0.00 61.69 62.28 3hxj s THR 32 Cb 0.00 -3.63 0.06 0.00 0.01 0.00 0.00 72.50 68.94 3hxj s THR 32 CO 0.00 -0.70 -0.03 -0.63 -0.69 0.00 0.00 174.62 172.56 3hxj s ILE 33 N -3.02 1.34 0.05 1.82 1.01 -1.26 0.11 121.20 121.25 3hxj s ILE 33 Ca 0.53 -1.11 -0.21 0.00 0.00 0.00 0.00 60.65 59.86 3hxj s ILE 33 Cb -0.11 -1.66 -0.06 0.00 0.01 0.00 0.00 42.46 40.64 3hxj s ILE 33 CO 0.48 -0.13 0.63 -0.31 0.00 0.00 0.00 174.94 175.60 3hxj s TYR 34 N 1.48 3.76 0.21 3.97 1.51 -0.79 -0.84 117.35 126.65 3hxj s TYR 34 Ca -0.05 1.31 -0.09 0.00 -1.01 0.00 0.00 57.07 57.24 3hxj s TYR 34 Cb -0.19 -2.62 0.23 0.00 -0.11 0.00 0.00 41.96 39.28 3hxj s TYR 34 CO -0.07 0.44 1.83 -0.07 -1.11 0.00 0.00 175.55 176.57 3hxj h LEU 35 N 5.12 0.64 0.00 -1.29 3.38 -1.67 -2.19 115.31 119.30 3hxj h LEU 35 Ca -0.47 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.52 3hxj h LEU 35 Cb 1.21 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.84 3hxj h LEU 35 CO 0.67 0.43 0.00 0.61 0.09 0.00 0.00 178.44 180.24 3hxj n GLY 36 N -1.29 2.02 0.00 0.83 0.00 -1.26 -3.61 105.19 101.88 3hxj n GLY 36 Ca 0.08 -0.59 0.07 0.00 0.00 0.00 0.00 46.02 45.59 3hxj n GLY 36 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3hxj n SER 37 N 3.80 0.00 0.00 1.61 7.64 -1.26 -4.90 113.62 120.50 3hxj n SER 37 Ca 0.00 0.21 0.00 0.00 1.01 0.00 0.00 58.87 60.09 3hxj n SER 37 Cb 0.00 -0.35 0.00 0.00 -1.01 0.00 0.00 64.21 62.85 3hxj n SER 37 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 3hxj n SER 38 N -1.35 0.00 -0.73 6.43 7.64 -1.26 -1.32 113.62 123.02 3hxj n SER 38 Ca 0.06 0.00 0.07 0.00 1.01 0.00 0.00 58.87 60.01 3hxj n SER 38 Cb 0.14 0.00 0.20 0.00 -1.01 0.00 0.00 64.21 63.53 3hxj n SER 38 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 3hxj n ASN 39 N 6.54 3.32 -0.26 6.43 6.94 -1.26 -4.71 115.26 132.27 3hxj n ASN 39 Ca 0.00 -2.45 0.05 0.00 -0.02 0.00 0.00 54.58 52.16 3hxj n ASN 39 Cb 0.00 -0.36 0.15 0.00 -2.36 0.00 0.00 39.78 37.21 3hxj n ASN 39 CO 0.00 0.00 0.00 0.50 -1.03 0.00 0.00 177.26 176.73 3hxj h LYS 40 N 1.88 0.09 -0.08 -3.83 3.64 -1.45 0.46 116.57 117.27 3hxj h LYS 40 Ca 0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 3hxj h LYS 40 Cb 1.04 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.84 3hxj h LYS 40 CO 0.10 0.06 0.00 0.09 -2.27 0.00 0.00 179.45 177.43 3hxj n ASN 41 N -5.35 3.00 -0.11 4.20 5.03 -1.26 -4.60 115.26 116.17 3hxj n ASN 41 Ca 0.13 -1.98 -0.19 0.00 0.87 0.00 0.00 54.58 53.42 3hxj n ASN 41 Cb 0.47 -0.04 -0.09 0.00 -1.02 0.00 0.00 39.78 39.11 3hxj n ASN 41 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 3hxj n LEU 42 N 1.31 2.27 -3.84 3.41 4.77 0.00 -4.78 117.00 120.14 3hxj n LEU 42 Ca 0.15 0.08 -0.03 0.00 -0.03 0.00 0.00 56.01 56.18 3hxj n LEU 42 Cb 0.59 -0.68 0.01 0.00 -2.33 0.00 0.00 43.42 41.01 3hxj n LEU 42 CO 0.15 0.65 0.80 -0.72 -1.33 0.00 0.00 177.39 176.95 3hxj s TYR 43 N -2.40 0.02 0.05 -1.77 -0.85 -0.32 -1.21 117.35 110.87 3hxj s TYR 43 Ca -0.29 -0.38 0.02 0.00 -0.52 0.00 0.00 57.07 55.89 3hxj s TYR 43 Cb 0.09 0.68 -0.03 0.00 0.38 0.00 0.00 41.96 43.08 3hxj s TYR 43 CO 0.43 -0.87 -0.07 0.00 -1.52 0.00 0.00 175.55 173.52 3hxj s ALA 44 N -2.44 0.61 -0.30 9.51 0.00 -0.58 -4.57 121.76 123.98 3hxj s ALA 44 Ca 0.19 -0.91 -0.11 0.00 0.00 0.00 0.00 51.96 51.13 3hxj s ALA 44 Cb -0.02 0.10 -0.03 0.00 0.00 0.00 0.00 23.12 23.17 3hxj s ALA 44 CO 0.04 -0.11 0.19 -1.50 0.00 0.00 0.00 175.76 174.38 3hxj s ILE 45 N -2.09 5.11 0.80 0.00 2.07 -1.26 -0.88 121.20 124.95 3hxj s ILE 45 Ca -0.04 -0.04 -0.11 0.00 -1.41 0.00 0.00 60.65 59.05 3hxj s ILE 45 Cb -0.05 -3.50 0.07 0.00 0.13 0.00 0.00 42.46 39.11 3hxj s ILE 45 CO -0.02 0.17 1.12 0.20 -1.91 0.00 0.00 174.94 174.50 3hxj s ASN 46 N 1.72 4.10 0.23 4.50 0.02 0.13 -4.87 114.94 120.76 3hxj s ASN 46 Ca 0.06 1.99 -0.07 0.00 -1.02 0.00 0.00 52.86 53.82 3hxj s ASN 46 Cb -0.16 -2.54 0.32 0.00 0.02 0.00 0.00 41.25 38.89 3hxj s ASN 46 CO 0.10 -2.31 1.79 0.00 0.02 0.00 0.00 177.10 176.70 3hxj h THR 47 N -1.14 0.89 0.00 1.60 1.03 -1.98 0.20 112.91 113.51 3hxj h THR 47 Ca -0.44 -0.23 0.00 0.00 -0.01 0.00 0.00 66.41 65.73 3hxj h THR 47 Cb 1.25 0.17 0.00 0.00 -1.07 0.00 0.00 68.15 68.49 3hxj h THR 47 CO 0.49 0.12 0.00 -0.90 -0.01 0.00 0.00 175.52 175.22 3hxj n ASP 48 N -4.81 0.00 0.00 0.00 3.85 -1.26 -4.83 116.55 109.50 3hxj n ASP 48 Ca 0.11 -0.31 0.00 0.00 -0.71 0.00 0.00 54.79 53.88 3hxj n ASP 48 Cb 0.25 -0.11 0.00 0.00 -1.35 0.00 0.00 41.12 39.90 3hxj n ASP 48 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3hxj n GLY 49 N 0.09 2.17 3.46 6.12 0.00 0.70 -5.07 105.19 112.66 3hxj n GLY 49 Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 3hxj n GLY 49 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3hxj n SER 50 N 0.00 -1.51 -4.56 1.61 7.64 -1.25 -4.56 113.62 110.98 3hxj n SER 50 Ca 0.00 0.18 -0.34 0.00 1.01 0.00 0.00 58.87 59.72 3hxj n SER 50 Cb 0.00 -1.23 -0.11 0.00 -1.01 0.00 0.00 64.21 61.86 3hxj n SER 50 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3hxj s VAL 51 N -2.42 4.05 -0.44 0.44 1.01 -1.26 -0.69 120.40 121.08 3hxj s VAL 51 Ca 0.61 -0.32 -0.03 0.00 0.00 0.00 0.00 61.98 62.24 3hxj s VAL 51 Cb -0.20 -2.75 0.12 0.00 0.00 0.00 0.00 36.38 33.55 3hxj s VAL 51 CO 0.65 0.53 0.24 -0.75 0.00 0.00 0.00 175.10 175.76 3hxj s LYS 52 N -0.05 2.08 0.20 2.72 2.47 -0.05 -4.94 119.74 122.16 3hxj s LYS 52 Ca 0.02 -1.92 -0.30 0.00 -1.56 0.00 0.00 55.97 52.21 3hxj s LYS 52 Cb -0.13 -3.61 -0.08 0.00 -1.46 0.00 0.00 37.83 32.55 3hxj s LYS 52 CO 0.02 -1.09 1.01 -1.58 0.16 0.00 0.00 175.35 173.88 3hxj s TRP 53 N 0.97 3.77 -0.82 4.03 0.52 -1.26 -1.53 118.94 124.62 3hxj s TRP 53 Ca 0.09 1.77 -0.05 0.00 0.02 0.00 0.00 56.10 57.93 3hxj s TRP 53 Cb -0.23 -3.13 0.04 0.00 -1.15 0.00 0.00 33.47 29.01 3hxj s TRP 53 CO -0.04 -0.05 2.72 1.19 0.02 0.00 0.00 176.95 180.78 3hxj n PHE 54 N 1.95 1.89 -4.07 -1.98 3.72 -0.35 -4.87 117.46 113.76 3hxj n PHE 54 Ca 0.00 -2.32 -0.08 0.00 -0.05 0.00 0.00 57.45 55.00 3hxj n PHE 54 Cb 0.47 -1.65 -0.10 0.00 -0.94 0.00 0.00 39.48 37.25 3hxj n PHE 54 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 3hxj s PHE 55 N -0.99 0.51 0.34 1.38 0.40 -1.26 -4.97 117.98 113.38 3hxj s PHE 55 Ca 0.59 -0.86 -0.28 0.00 -0.60 0.00 0.00 56.93 55.77 3hxj s PHE 55 Cb 0.29 -0.35 -0.12 0.00 0.51 0.00 0.00 43.02 43.34 3hxj s PHE 55 CO -0.14 -0.28 1.30 1.63 0.70 0.00 0.00 175.22 178.42 3hxj n LYS 56 N 0.59 2.13 -0.26 0.44 5.02 -1.26 -4.86 118.16 119.95 3hxj n LYS 56 Ca -0.17 0.75 0.01 0.00 -2.02 0.00 0.00 58.31 56.87 3hxj n LYS 56 Cb 0.59 -2.33 0.05 0.00 -0.02 0.00 0.00 35.03 33.31 3hxj n LYS 56 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 3hxj n SER 57 N 0.83 -0.39 -1.61 4.39 7.64 -1.26 -1.15 113.62 122.06 3hxj n SER 57 Ca 0.05 1.21 -0.10 0.00 1.01 0.00 0.00 58.87 61.03 3hxj n SER 57 Cb 0.36 -0.30 0.04 0.00 -1.01 0.00 0.00 64.21 63.30 3hxj n SER 57 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3hxj n GLY 58 N -1.36 3.28 0.00 0.23 0.00 -1.26 -3.79 105.19 102.30 3hxj n GLY 58 Ca 0.08 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.51 3hxj n GLY 58 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3hxj n GLU 59 N 0.34 2.18 -3.92 1.61 1.02 -0.30 -4.99 120.64 116.58 3hxj n GLU 59 Ca 0.21 -0.16 -0.35 0.00 -0.02 0.00 0.00 57.16 56.84 3hxj n GLU 59 Cb 0.71 -0.57 -0.13 0.00 -0.02 0.00 0.00 31.44 31.44 3hxj n GLU 59 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3hxj s ILE 60 N -0.36 4.00 -0.12 -3.67 1.09 -1.25 -1.21 121.20 119.68 3hxj s ILE 60 Ca 0.00 -0.29 -0.00 0.00 -1.10 0.00 0.00 60.65 59.26 3hxj s ILE 60 Cb 0.00 -2.83 0.02 0.00 -1.06 0.00 0.00 42.46 38.59 3hxj s ILE 60 CO 0.00 0.39 -0.10 -0.63 -0.10 0.00 0.00 174.94 174.50 3hxj s ILE 61 N 1.30 1.22 -0.06 2.92 1.01 -0.08 -4.96 121.20 122.56 3hxj s ILE 61 Ca 0.04 -0.41 -0.30 0.00 0.00 0.00 0.00 60.65 59.98 3hxj s ILE 61 Cb -0.15 -1.20 -0.03 0.00 0.01 0.00 0.00 42.46 41.10 3hxj s ILE 61 CO 0.01 0.40 1.13 -0.70 0.00 0.00 0.00 174.94 175.79 3hxj s GLU 62 N 1.61 4.39 0.35 2.79 2.12 -1.26 0.26 118.70 128.95 3hxj s GLU 62 Ca 0.05 1.59 -0.05 0.00 0.36 0.00 0.00 54.97 56.92 3hxj s GLU 62 Cb -0.13 -3.53 -0.05 0.00 0.26 0.00 0.00 34.13 30.69 3hxj s GLU 62 CO -0.09 -0.37 0.62 0.00 -0.54 0.00 0.00 175.26 174.88 3hxj s ARG 64 N -3.92 1.83 0.81 0.00 1.81 -1.26 -4.45 118.95 113.77 3hxj s ARG 64 Ca 0.45 -2.30 -0.13 0.00 -1.72 0.00 0.00 55.73 52.03 3hxj s ARG 64 Cb -0.10 -3.32 0.09 0.00 -0.45 0.00 0.00 34.95 31.17 3hxj s ARG 64 CO 0.34 -1.05 1.19 -2.14 -0.68 0.00 0.00 175.30 172.96 3hxj s PRO 65 N 0.24 1.61 0.45 3.54 0.02 -1.26 -4.89 135.00 134.70 3hxj s PRO 65 Ca 0.14 1.70 0.06 0.00 0.02 0.00 0.00 61.00 62.92 3hxj s PRO 65 Cb -0.23 -1.78 -0.03 0.00 0.02 0.00 0.00 34.50 32.48 3hxj s PRO 65 CO -0.03 -2.22 0.18 -1.12 -0.33 0.00 0.00 177.00 173.47 3hxj s SER 66 N -2.28 4.37 -0.14 2.53 0.01 0.23 -1.55 113.70 116.86 3hxj s SER 66 Ca 0.72 -1.21 -0.00 0.00 1.31 0.00 0.00 55.95 56.76 3hxj s SER 66 Cb -0.27 -0.19 0.03 0.00 0.21 0.00 0.00 66.02 65.80 3hxj s SER 66 CO 0.51 -0.67 -0.10 -0.63 0.41 0.00 0.00 173.24 172.77 3hxj s ILE 67 N -2.68 1.29 0.00 1.44 1.01 0.34 -0.73 121.20 121.87 3hxj s ILE 67 Ca 0.34 -0.54 0.00 0.00 0.00 0.00 0.00 60.65 60.45 3hxj s ILE 67 Cb 0.03 -1.30 0.00 0.00 0.01 0.00 0.00 42.46 41.20 3hxj s ILE 67 CO 0.19 0.33 0.00 0.61 0.00 0.00 0.00 174.94 176.08 3hxj n GLY 68 N 4.85 -0.92 0.05 6.18 0.00 -1.26 -3.91 105.19 110.18 3hxj n GLY 68 Ca -0.14 -1.19 0.03 0.00 0.00 0.00 0.00 46.02 44.72 3hxj n GLY 68 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hxj n LYS 69 N 0.00 3.97 0.00 1.61 5.02 -1.26 -4.60 118.16 122.90 3hxj n LYS 69 Ca 0.00 -0.17 0.09 0.00 -2.02 0.00 0.00 58.31 56.22 3hxj n LYS 69 Cb 0.00 -0.87 0.49 0.00 -0.02 0.00 0.00 35.03 34.62 3hxj n LYS 69 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 3hxj n ASP 70 N -0.88 0.00 0.00 4.39 5.68 -1.26 -4.84 116.55 119.64 3hxj n ASP 70 Ca 0.02 -0.03 0.00 0.00 -0.50 0.00 0.00 54.79 54.27 3hxj n ASP 70 Cb 0.12 -0.26 0.00 0.00 -1.14 0.00 0.00 41.12 39.84 3hxj n ASP 70 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3hxj n GLY 71 N 0.32 0.43 3.65 6.12 0.00 -1.26 -5.05 105.19 109.41 3hxj n GLY 71 Ca 0.09 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.67 3hxj n GLY 71 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3hxj n THR 72 N -2.00 1.29 -3.35 2.61 -1.04 -1.25 -4.85 114.28 105.69 3hxj n THR 72 Ca 0.00 -0.32 -0.38 0.00 -2.04 0.00 0.00 64.05 61.30 3hxj n THR 72 Cb 0.00 -1.35 -0.06 0.00 -1.82 0.00 0.00 70.33 67.10 3hxj n THR 72 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 3hxj s ILE 73 N -0.42 4.87 0.01 12.58 1.01 -1.26 -0.50 121.20 137.49 3hxj s ILE 73 Ca 0.65 1.08 -0.28 0.00 0.00 0.00 0.00 60.65 62.10 3hxj s ILE 73 Cb -0.67 -3.83 -0.04 0.00 0.01 0.00 0.00 42.46 37.93 3hxj s ILE 73 CO 0.54 0.54 0.90 -0.47 0.00 0.00 0.00 174.94 176.46 3hxj s TYR 74 N -0.95 3.68 -0.42 3.97 5.04 -0.60 -4.72 117.35 123.36 3hxj s TYR 74 Ca 0.27 1.61 0.10 0.00 -2.44 0.00 0.00 57.07 56.62 3hxj s TYR 74 Cb -0.18 -3.02 0.41 0.00 0.35 0.00 0.00 41.96 39.51 3hxj s TYR 74 CO 0.17 0.08 0.96 1.19 -1.34 0.00 0.00 175.55 176.61 3hxj n PHE 75 N 3.56 2.26 -3.36 4.97 3.01 -1.26 -4.79 117.46 121.86 3hxj n PHE 75 Ca 0.03 -3.30 0.00 0.00 1.01 0.00 0.00 57.45 55.19 3hxj n PHE 75 Cb 0.51 -0.31 0.00 0.00 -0.01 0.00 0.00 39.48 39.67 3hxj n PHE 75 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3hxj n GLY 76 N -0.17 3.69 0.23 1.37 0.00 -1.26 -5.04 105.19 104.00 3hxj n GLY 76 Ca 0.26 -2.15 0.11 0.00 0.00 0.00 0.00 46.02 44.25 3hxj n GLY 76 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3hxj h SER 77 N 0.00 0.00 -3.42 1.61 0.02 -1.96 -3.45 113.55 106.35 3hxj h SER 77 Ca 0.00 0.00 -0.52 0.00 -0.84 0.00 0.00 61.79 60.43 3hxj h SER 77 Cb 0.00 0.00 0.05 0.00 0.14 0.00 0.00 62.40 62.59 3hxj h SER 77 CO 0.00 0.16 0.70 -1.81 -1.14 0.00 0.00 176.83 174.73 3hxj s ASP 78 N -6.09 6.78 -0.03 3.07 1.11 -1.26 -4.62 116.67 115.64 3hxj s ASP 78 Ca 0.02 2.54 0.05 0.00 0.18 0.00 0.00 52.55 55.34 3hxj s ASP 78 Cb 0.09 -2.62 -0.01 0.00 1.07 0.00 0.00 42.92 41.45 3hxj s ASP 78 CO 0.63 -0.60 -0.19 -0.54 1.18 0.00 0.00 175.17 175.65 3hxj s LYS 79 N -0.37 1.79 -0.12 8.23 -0.14 -0.74 -4.95 119.74 123.44 3hxj s LYS 79 Ca 0.57 -0.69 0.03 0.00 -1.36 0.00 0.00 55.97 54.53 3hxj s LYS 79 Cb -0.39 -1.62 0.01 0.00 -1.68 0.00 0.00 37.83 34.15 3hxj s LYS 79 CO 0.42 0.34 -0.22 0.08 -0.76 0.00 0.00 175.35 175.20 3hxj s VAL 80 N -0.21 2.02 -0.01 3.17 1.01 -1.26 0.04 120.40 125.17 3hxj s VAL 80 Ca 0.01 -0.97 0.08 0.00 0.00 0.00 0.00 61.98 61.10 3hxj s VAL 80 Cb -0.10 -1.77 -0.02 0.00 0.00 0.00 0.00 36.38 34.49 3hxj s VAL 80 CO 0.01 0.55 -0.25 -0.31 0.00 0.00 0.00 175.10 175.09 3hxj s TYR 81 N 0.63 2.36 -0.30 5.22 1.51 0.16 0.11 117.35 127.03 3hxj s TYR 81 Ca -0.12 -0.41 -0.09 0.00 -1.01 0.00 0.00 57.07 55.44 3hxj s TYR 81 Cb -0.16 -1.49 -0.01 0.00 -0.11 0.00 0.00 41.96 40.19 3hxj s TYR 81 CO 0.03 0.01 0.12 0.00 -1.11 0.00 0.00 175.55 174.60 3hxj s ALA 82 N -0.66 3.21 -0.20 3.71 0.00 0.14 -0.98 121.76 126.98 3hxj s ALA 82 Ca 0.11 -1.36 -0.04 0.00 0.00 0.00 0.00 51.96 50.67 3hxj s ALA 82 Cb -0.10 -2.28 -0.02 0.00 0.00 0.00 0.00 23.12 20.73 3hxj s ALA 82 CO -0.00 -0.84 -0.03 0.42 0.00 0.00 0.00 175.76 175.31 3hxj s ILE 83 N 1.59 3.63 -0.75 0.00 -1.09 -0.08 -0.90 121.20 123.60 3hxj s ILE 83 Ca 0.04 -0.42 0.02 0.00 -2.23 0.00 0.00 60.65 58.06 3hxj s ILE 83 Cb -0.17 -2.63 0.18 0.00 -1.58 0.00 0.00 42.46 38.27 3hxj s ILE 83 CO 0.05 0.44 0.57 0.21 -1.23 0.00 0.00 174.94 174.98 3hxj s ASN 84 N 1.06 5.23 0.43 3.58 2.47 -0.35 -2.02 114.94 125.34 3hxj s ASN 84 Ca 0.01 -3.63 -0.25 0.00 0.42 0.00 0.00 52.86 49.42 3hxj s ASN 84 Cb -0.15 -1.76 -0.08 0.00 -1.45 0.00 0.00 41.25 37.82 3hxj s ASN 84 CO 0.01 -0.16 1.25 -2.16 -3.72 0.00 0.00 177.10 172.31 3hxj s PRO 85 N -1.17 3.86 0.85 0.43 0.04 -1.26 -4.77 135.00 132.99 3hxj s PRO 85 Ca 0.24 2.02 -0.11 0.00 0.04 0.00 0.00 61.00 63.18 3hxj s PRO 85 Cb -0.09 -2.62 0.10 0.00 0.04 0.00 0.00 34.50 31.93 3hxj s PRO 85 CO -0.12 -0.53 1.09 0.34 0.04 0.00 0.00 177.00 177.82 3hxj s ASP 86 N -0.97 3.91 0.39 6.66 2.15 -1.26 -4.76 116.67 122.79 3hxj s ASP 86 Ca 0.60 1.42 0.12 0.00 0.43 0.00 0.00 52.55 55.12 3hxj s ASP 86 Cb -0.35 -2.13 0.93 0.00 -0.30 0.00 0.00 42.92 41.07 3hxj s ASP 86 CO 0.44 -2.35 1.89 1.23 -0.17 0.00 0.00 175.17 176.21 3hxj h GLY 87 N -1.35 0.96 2.00 2.66 0.00 -2.01 0.18 103.07 105.50 3hxj h GLY 87 Ca -0.48 -0.24 0.00 0.00 0.00 0.00 0.00 47.33 46.61 3hxj h GLY 87 CO 0.56 0.08 0.00 -0.91 0.00 0.00 0.00 176.54 176.27 3hxj h THR 88 N 0.56 0.00 0.00 4.70 1.35 -2.04 -3.10 112.91 114.39 3hxj h THR 88 Ca 0.41 -0.42 0.00 0.00 -0.55 0.00 0.00 66.41 65.85 3hxj h THR 88 Cb 0.77 1.30 0.00 0.00 -1.73 0.00 0.00 68.15 68.49 3hxj h THR 88 CO -0.16 0.00 -1.03 -0.62 -0.25 0.00 0.00 175.52 173.46 3hxj n GLU 89 N -2.65 0.29 -0.30 4.72 1.02 0.57 -4.53 120.64 119.76 3hxj n GLU 89 Ca 0.02 -0.01 0.32 0.00 -0.02 0.00 0.00 57.16 57.47 3hxj n GLU 89 Cb 0.30 -1.46 0.71 0.00 -0.02 0.00 0.00 31.44 30.96 3hxj n GLU 89 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 3hxj h LYS 90 N 0.00 0.06 0.00 3.49 6.56 -1.33 -0.97 116.57 124.39 3hxj h LYS 90 Ca 0.00 -0.00 -0.02 0.00 -1.06 0.00 0.00 60.65 59.56 3hxj h LYS 90 Cb 0.51 -0.01 -0.00 0.00 -0.57 0.00 0.00 32.23 32.15 3hxj h LYS 90 CO 0.00 0.04 -0.11 0.11 -2.06 0.00 0.00 179.45 177.43 3hxj h TRP 91 N 0.07 0.00 0.00 -1.35 5.08 -1.82 -2.96 115.95 114.97 3hxj h TRP 91 Ca 0.55 0.00 -0.02 0.00 1.08 0.00 0.00 58.89 60.50 3hxj h TRP 91 Cb 2.07 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 28.22 3hxj h TRP 91 CO -0.00 0.11 -0.10 0.00 -1.28 0.00 0.00 178.44 177.17 3hxj h ARG 92 N 0.00 0.00 -1.95 0.12 3.08 -1.51 -3.40 114.38 110.72 3hxj h ARG 92 Ca -0.00 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 59.88 3hxj h ARG 92 Cb 0.37 0.00 -0.30 0.00 0.08 0.00 0.00 29.97 30.11 3hxj h ARG 92 CO 0.01 0.10 -0.50 0.12 -1.07 0.00 0.00 179.97 178.64 3hxj s PHE 93 N -4.41 -0.77 -0.50 3.04 5.36 -1.12 -4.75 117.98 114.83 3hxj s PHE 93 Ca -0.04 0.76 -0.27 0.00 -0.96 0.00 0.00 56.93 56.42 3hxj s PHE 93 Cb 0.14 -0.02 -0.04 0.00 -0.34 0.00 0.00 43.02 42.76 3hxj s PHE 93 CO 0.60 -0.71 2.08 0.34 -1.46 0.00 0.00 175.22 176.07 3hxj s ASP 94 N 2.52 5.06 0.00 6.13 2.15 -1.26 -4.92 116.67 126.36 3hxj s ASP 94 Ca 0.12 0.87 -0.00 0.00 0.43 0.00 0.00 52.55 53.97 3hxj s ASP 94 Cb -0.15 -2.52 -0.02 0.00 -0.30 0.00 0.00 42.92 39.93 3hxj s ASP 94 CO -0.16 -2.44 0.66 1.07 -0.17 0.00 0.00 175.17 174.14 3hxj n THR 95 N 7.57 0.45 -3.52 1.71 5.66 -1.26 -4.98 114.28 119.91 3hxj n THR 95 Ca 0.27 -0.17 -0.13 0.00 -3.05 0.00 0.00 64.05 60.98 3hxj n THR 95 Cb 0.52 -1.30 -0.04 0.00 -1.55 0.00 0.00 70.33 67.96 3hxj n THR 95 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 3hxj s SER 101 N 2.33 -0.46 -0.03 1.09 0.15 -1.26 -5.02 113.70 110.49 3hxj s SER 101 Ca 0.05 0.03 0.09 0.00 0.70 0.00 0.00 55.95 56.82 3hxj s SER 101 Cb 0.02 0.53 0.26 0.00 -1.71 0.00 0.00 66.02 65.12 3hxj s SER 101 CO 0.00 -0.84 1.20 -0.90 1.20 0.00 0.00 173.24 173.90 3hxj n ASP 102 N -0.02 2.78 -4.08 5.45 3.85 -1.26 -4.27 116.55 119.00 3hxj n ASP 102 Ca -0.17 -2.22 -0.10 0.00 -0.71 0.00 0.00 54.79 51.59 3hxj n ASP 102 Cb 0.63 -0.23 -0.09 0.00 -1.35 0.00 0.00 41.12 40.08 3hxj n ASP 102 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.20 176.91 3hxj s PHE 103 N -1.39 0.70 -0.19 2.11 -0.12 -1.26 -1.00 117.98 116.83 3hxj s PHE 103 Ca 0.20 -1.05 -0.12 0.00 -0.05 0.00 0.00 56.93 55.92 3hxj s PHE 103 Cb 0.13 -0.29 0.06 0.00 -0.63 0.00 0.00 43.02 42.29 3hxj s PHE 103 CO 0.10 -0.65 0.48 -0.08 -0.05 0.00 0.00 175.22 175.02 3hxj s THR 104 N -4.03 -0.02 -0.16 -4.49 -1.32 0.20 -4.81 115.64 101.01 3hxj s THR 104 Ca 0.24 0.06 -0.08 0.00 -1.21 0.00 0.00 61.69 60.69 3hxj s THR 104 Cb 0.05 -0.70 -0.04 0.00 -1.51 0.00 0.00 72.50 70.30 3hxj s THR 104 CO 0.03 0.02 0.12 -0.63 -2.21 0.00 0.00 174.62 171.95 3hxj s ILE 105 N 1.22 5.30 -0.08 5.08 1.01 -1.26 -0.81 121.20 131.65 3hxj s ILE 105 Ca -0.08 0.14 -0.03 0.00 0.00 0.00 0.00 60.65 60.68 3hxj s ILE 105 Cb -0.07 -3.37 0.04 0.00 0.01 0.00 0.00 42.46 39.08 3hxj s ILE 105 CO -0.11 0.51 0.17 0.12 0.00 0.00 0.00 174.94 175.63 3hxj s PHE 106 N -0.17 -0.21 -1.14 3.97 5.36 -0.29 -4.95 117.98 120.55 3hxj s PHE 106 Ca 0.10 0.60 -0.28 0.00 -0.96 0.00 0.00 56.93 56.39 3hxj s PHE 106 Cb -0.12 -0.13 0.03 0.00 -0.34 0.00 0.00 43.02 42.47 3hxj s PHE 106 CO 0.01 -0.23 0.69 0.39 -1.46 0.00 0.00 175.22 174.61 3hxj n GLU 107 N 4.71 -0.55 -1.92 10.12 1.02 -1.26 -1.34 120.64 131.42 3hxj n GLU 107 Ca -0.17 0.23 -0.20 0.00 -0.02 0.00 0.00 57.16 57.00 3hxj n GLU 107 Cb 0.51 -2.71 -0.05 0.00 -0.02 0.00 0.00 31.44 29.17 3hxj n GLU 107 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3hxj n ASP 108 N -2.28 -5.57 -3.89 1.62 8.00 -1.26 -4.98 116.55 108.19 3hxj n ASP 108 Ca -0.14 0.28 -0.21 0.00 0.71 0.00 0.00 54.79 55.43 3hxj n ASP 108 Cb 0.58 -4.74 -0.17 0.00 -0.02 0.00 0.00 41.12 36.78 3hxj n ASP 108 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3hxj s ILE 109 N -2.86 0.59 -0.25 0.53 1.01 -0.45 -4.13 121.20 115.63 3hxj s ILE 109 Ca 0.00 -0.12 -0.18 0.00 0.00 0.00 0.00 60.65 60.34 3hxj s ILE 109 Cb 0.00 -0.62 -0.03 0.00 0.01 0.00 0.00 42.46 41.82 3hxj s ILE 109 CO 0.00 0.25 0.53 -0.22 0.00 0.00 0.00 174.94 175.50 3hxj s LEU 110 N 1.09 4.06 -0.36 2.97 2.96 0.11 -1.14 118.68 128.37 3hxj s LEU 110 Ca -0.08 0.56 -0.10 0.00 -0.22 0.00 0.00 54.13 54.29 3hxj s LEU 110 Cb -0.14 -2.70 0.03 0.00 0.50 0.00 0.00 46.19 43.88 3hxj s LEU 110 CO -0.01 -0.29 0.18 -0.31 -1.32 0.00 0.00 176.35 174.60 3hxj s TYR 111 N 2.28 3.24 -0.05 5.38 2.02 0.01 0.53 117.35 130.77 3hxj s TYR 111 Ca 0.22 -1.02 0.03 0.00 -0.37 0.00 0.00 57.07 55.94 3hxj s TYR 111 Cb -0.16 -2.40 0.00 0.00 -0.40 0.00 0.00 41.96 39.01 3hxj s TYR 111 CO 0.09 -0.65 -0.15 0.54 -1.57 0.00 0.00 175.55 173.82 3hxj s VAL 112 N 1.53 1.25 0.56 0.71 0.11 0.21 -0.63 120.40 124.15 3hxj s VAL 112 Ca 0.02 -0.60 -0.02 0.00 -2.93 0.00 0.00 61.98 58.44 3hxj s VAL 112 Cb -0.19 -1.10 0.02 0.00 -1.53 0.00 0.00 36.38 33.58 3hxj s VAL 112 CO 0.06 0.37 0.82 0.42 -3.33 0.00 0.00 175.10 173.44 3hxj s THR 113 N 0.23 3.22 0.00 5.04 -4.23 -0.17 -0.27 115.64 119.47 3hxj s THR 113 Ca -0.07 -0.36 0.00 0.00 -1.18 0.00 0.00 61.69 60.08 3hxj s THR 113 Cb -0.12 -3.25 0.00 0.00 1.34 0.00 0.00 72.50 70.46 3hxj s THR 113 CO 0.02 -0.22 0.00 -0.24 -0.54 0.00 0.00 174.62 173.65 3hxj n SER 114 N -2.44 0.26 0.00 3.99 2.88 -0.82 -4.90 113.62 112.59 3hxj n SER 114 Ca 0.05 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.59 3hxj n SER 114 Cb 0.59 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.05 3hxj n SER 114 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 3hxj n ASP 116 N 0.00 0.00 0.00 -3.46 5.68 -1.26 -2.82 116.55 114.69 3hxj n ASP 116 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 3hxj n ASP 116 Cb 0.00 -0.33 0.00 0.00 -1.14 0.00 0.00 41.12 39.65 3hxj n ASP 116 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3hxj n GLY 117 N 0.31 1.00 3.86 6.12 0.00 -1.25 -4.79 105.19 110.44 3hxj n GLY 117 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 3hxj n GLY 117 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3hxj s HIS 118 N -3.36 3.34 -0.24 1.61 3.76 -1.25 -0.44 115.29 118.72 3hxj s HIS 118 Ca 0.00 0.11 -0.08 0.00 -0.15 0.00 0.00 55.06 54.94 3hxj s HIS 118 Cb 0.00 -1.64 -0.04 0.00 1.11 0.00 0.00 32.58 32.01 3hxj s HIS 118 CO 0.00 0.54 0.10 -1.17 -0.85 0.00 0.00 174.74 173.36 3hxj s LEU 119 N -2.81 3.72 -0.10 0.89 2.96 0.13 -1.94 118.68 121.54 3hxj s LEU 119 Ca 0.33 -0.06 -0.03 0.00 -0.22 0.00 0.00 54.13 54.15 3hxj s LEU 119 Cb -0.12 -1.99 -0.03 0.00 0.50 0.00 0.00 46.19 44.55 3hxj s LEU 119 CO 0.26 0.03 0.02 -0.31 -1.32 0.00 0.00 176.35 175.03 3hxj s TYR 120 N 1.25 3.22 -0.32 5.38 2.02 0.63 -0.46 117.35 129.06 3hxj s TYR 120 Ca 0.05 0.21 -0.04 0.00 -0.37 0.00 0.00 57.07 56.93 3hxj s TYR 120 Cb -0.14 -1.83 0.05 0.00 -0.40 0.00 0.00 41.96 39.63 3hxj s TYR 120 CO 0.04 0.46 0.05 0.00 -1.57 0.00 0.00 175.55 174.54 3hxj s ALA 121 N -0.77 2.92 -0.02 3.71 0.00 -0.43 -0.62 121.76 126.56 3hxj s ALA 121 Ca 0.12 -1.79 0.04 0.00 0.00 0.00 0.00 51.96 50.32 3hxj s ALA 121 Cb -0.12 -2.09 -0.03 0.00 0.00 0.00 0.00 23.12 20.88 3hxj s ALA 121 CO 0.02 -1.32 -0.11 0.42 0.00 0.00 0.00 175.76 174.77 3hxj s ILE 122 N 1.31 3.35 0.89 0.00 1.09 0.19 0.22 121.20 128.23 3hxj s ILE 122 Ca -0.03 -0.78 -0.13 0.00 -1.10 0.00 0.00 60.65 58.60 3hxj s ILE 122 Cb -0.20 -2.39 0.15 0.00 -1.06 0.00 0.00 42.46 38.96 3hxj s ILE 122 CO 0.00 0.47 1.24 0.20 -0.10 0.00 0.00 174.94 176.76 3hxj s ASN 123 N -1.13 3.68 0.28 3.58 0.02 -0.00 0.04 114.94 121.41 3hxj s ASN 123 Ca 0.14 0.37 -0.03 0.00 -1.02 0.00 0.00 52.86 52.32 3hxj s ASN 123 Cb -0.11 -0.59 0.40 0.00 0.02 0.00 0.00 41.25 40.97 3hxj s ASN 123 CO 0.04 -2.38 1.94 0.71 0.02 0.00 0.00 177.10 177.43 3hxj h THR 124 N -1.34 1.19 0.00 1.60 1.35 -1.89 -1.26 112.91 112.56 3hxj h THR 124 Ca -0.44 -0.41 0.00 0.00 -0.55 0.00 0.00 66.41 65.01 3hxj h THR 124 Cb 1.27 -0.10 0.00 0.00 -1.73 0.00 0.00 68.15 67.59 3hxj h THR 124 CO 0.47 0.22 0.00 -0.90 -0.25 0.00 0.00 175.52 175.06 3hxj n ASP 125 N -4.42 0.57 0.00 5.36 3.85 -1.26 -4.88 116.55 115.77 3hxj n ASP 125 Ca 0.11 0.60 0.00 0.00 -0.71 0.00 0.00 54.79 54.80 3hxj n ASP 125 Cb 0.06 -0.74 0.00 0.00 -1.35 0.00 0.00 41.12 39.10 3hxj n ASP 125 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3hxj n GLY 126 N 0.54 0.55 3.80 6.12 0.00 -0.48 -5.09 105.19 110.63 3hxj n GLY 126 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 3hxj n GLY 126 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3hxj s THR 127 N -2.00 3.54 -0.27 2.61 -1.32 -1.26 -4.71 115.64 112.24 3hxj s THR 127 Ca 0.00 0.50 -0.17 0.00 -1.21 0.00 0.00 61.69 60.81 3hxj s THR 127 Cb 0.00 -3.16 -0.03 0.00 -1.51 0.00 0.00 72.50 67.80 3hxj s THR 127 CO 0.00 -0.66 0.47 -0.70 -2.21 0.00 0.00 174.62 171.53 3hxj s GLU 128 N -5.03 4.03 -0.08 7.08 2.12 -1.26 -0.82 118.70 124.74 3hxj s GLU 128 Ca 0.60 0.22 -0.24 0.00 0.36 0.00 0.00 54.97 55.91 3hxj s GLU 128 Cb -0.15 -3.66 -0.20 0.00 0.26 0.00 0.00 34.13 30.38 3hxj s GLU 128 CO 0.55 -0.34 0.84 -0.22 -0.54 0.00 0.00 175.26 175.55 3hxj h LYS 129 N 8.08 -0.06 -2.17 4.30 3.64 -0.58 -3.48 116.57 126.30 3hxj h LYS 129 Ca -0.30 0.00 0.20 0.00 -1.27 0.00 0.00 60.65 59.29 3hxj h LYS 129 Cb 1.15 0.01 -0.09 0.00 -0.41 0.00 0.00 32.23 32.89 3hxj h LYS 129 CO 0.70 0.57 0.55 1.67 -2.27 0.00 0.00 179.45 180.67 3hxj s TRP 130 N -2.96 -0.13 0.01 1.91 1.48 -1.15 -5.03 118.94 113.07 3hxj s TRP 130 Ca -0.15 -0.13 0.01 0.00 -1.06 0.00 0.00 56.10 54.77 3hxj s TRP 130 Cb -0.01 0.62 -0.01 0.00 -1.16 0.00 0.00 33.47 32.91 3hxj s TRP 130 CO 0.56 -0.71 -0.03 -0.98 -4.06 0.00 0.00 176.95 171.74 3hxj s ARG 131 N -3.12 0.27 -0.13 3.25 1.70 -1.26 -1.31 118.95 118.35 3hxj s ARG 131 Ca 0.12 -0.39 0.02 0.00 -0.47 0.00 0.00 55.73 55.02 3hxj s ARG 131 Cb -0.00 -0.07 0.01 0.00 -0.57 0.00 0.00 34.95 34.32 3hxj s ARG 131 CO 0.00 0.01 -0.21 0.12 -1.08 0.00 0.00 175.30 174.14 3hxj s PHE 132 N -0.81 2.66 -0.11 5.89 5.36 0.39 -4.94 117.98 126.42 3hxj s PHE 132 Ca -0.08 -1.23 -0.11 0.00 -0.96 0.00 0.00 56.93 54.56 3hxj s PHE 132 Cb -0.06 -1.80 -0.05 0.00 -0.34 0.00 0.00 43.02 40.77 3hxj s PHE 132 CO -0.00 -0.54 0.24 0.21 -1.46 0.00 0.00 175.22 173.66 3hxj s LYS 133 N 0.70 3.82 0.38 10.12 2.20 -1.26 0.19 119.74 135.88 3hxj s LYS 133 Ca -0.10 0.04 0.08 0.00 -0.36 0.00 0.00 55.97 55.63 3hxj s LYS 133 Cb -0.16 -3.27 -0.05 0.00 -1.51 0.00 0.00 37.83 32.84 3hxj s LYS 133 CO 0.01 0.59 0.16 0.95 -0.36 0.00 0.00 175.35 176.70 3hxj s THR 134 N -0.57 2.60 -0.39 3.43 -4.23 0.41 -4.98 115.64 111.92 3hxj s THR 134 Ca 0.17 -1.70 0.27 0.00 -1.18 0.00 0.00 61.69 59.24 3hxj s THR 134 Cb -0.13 -2.97 0.31 0.00 1.34 0.00 0.00 72.50 71.05 3hxj s THR 134 CO 0.06 -0.08 1.78 0.11 -0.54 0.00 0.00 174.62 175.94 3hxj h LYS 135 N 1.48 0.00 -4.76 3.99 1.57 -1.96 -3.44 116.57 113.45 3hxj h LYS 135 Ca -0.43 0.00 -0.37 0.00 -1.87 0.00 0.00 60.65 57.98 3hxj h LYS 135 Cb 1.25 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 33.42 3hxj h LYS 135 CO 0.66 0.00 -0.55 0.15 -0.57 0.00 0.00 179.45 179.15 3hxj s LYS 136 N -3.33 1.51 0.60 3.15 3.01 -1.26 -4.94 119.74 118.47 3hxj s LYS 136 Ca 0.06 -1.84 -0.20 0.00 -1.01 0.00 0.00 55.97 52.98 3hxj s LYS 136 Cb 0.09 0.29 -0.03 0.00 -1.01 0.00 0.00 37.83 37.17 3hxj s LYS 136 CO 0.53 -0.53 1.26 0.00 0.51 0.00 0.00 175.35 177.12 3hxj n ALA 137 N -0.46 1.12 -2.90 5.17 0.00 -1.26 -3.81 120.51 118.37 3hxj n ALA 137 Ca 0.05 0.05 -0.33 0.00 0.00 0.00 0.00 53.44 53.21 3hxj n ALA 137 Cb 0.64 -2.30 -0.13 0.00 0.00 0.00 0.00 19.45 17.66 3hxj n ALA 137 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3hxj s ILE 138 N -1.37 3.38 0.00 0.00 1.01 -1.13 -1.37 121.20 121.72 3hxj s ILE 138 Ca 0.77 -0.56 0.00 0.00 0.00 0.00 0.00 60.65 60.86 3hxj s ILE 138 Cb -0.40 -2.42 0.00 0.00 0.01 0.00 0.00 42.46 39.65 3hxj s ILE 138 CO 0.45 0.54 0.40 -1.22 0.00 0.00 0.00 174.94 175.11 3hxj n TYR 139 N 3.18 0.00 -3.05 3.97 4.02 -1.26 -4.45 117.16 119.58 3hxj n TYR 139 Ca -0.18 -0.01 -0.31 0.00 -0.01 0.00 0.00 57.90 57.39 3hxj n TYR 139 Cb 0.53 -0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 39.80 3hxj n TYR 139 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3hxj s ALA 140 N -0.01 3.38 -0.04 -0.72 0.00 -1.26 -4.78 121.76 118.33 3hxj s ALA 140 Ca 0.00 -0.15 -0.24 0.00 0.00 0.00 0.00 51.96 51.56 3hxj s ALA 140 Cb 0.00 -2.67 -0.04 0.00 0.00 0.00 0.00 23.12 20.42 3hxj s ALA 140 CO 0.00 0.18 0.73 0.99 0.00 0.00 0.00 175.76 177.66 3hxj s THR 141 N -2.16 4.98 0.35 0.00 2.01 -1.26 -4.85 115.64 114.71 3hxj s THR 141 Ca 0.51 1.52 -0.21 0.00 0.31 0.00 0.00 61.69 63.82 3hxj s THR 141 Cb -0.10 -4.07 -0.10 0.00 0.01 0.00 0.00 72.50 68.24 3hxj s THR 141 CO 0.25 0.27 0.88 -2.16 -0.69 0.00 0.00 174.62 173.17 3hxj s PRO 142 N 0.64 4.29 0.11 4.92 0.04 -1.26 -4.31 135.00 139.42 3hxj s PRO 142 Ca 0.39 1.06 0.06 0.00 0.04 0.00 0.00 61.00 62.55 3hxj s PRO 142 Cb -0.18 -2.48 -0.04 0.00 0.04 0.00 0.00 34.50 31.84 3hxj s PRO 142 CO 0.20 0.14 -0.15 0.96 0.04 0.00 0.00 177.00 178.19 3hxj s ILE 143 N -1.91 1.33 -0.12 0.56 -4.36 -0.73 -4.58 121.20 111.39 3hxj s ILE 143 Ca 0.55 -1.59 0.03 0.00 -0.26 0.00 0.00 60.65 59.38 3hxj s ILE 143 Cb -0.13 -1.42 0.00 0.00 1.25 0.00 0.00 42.46 42.17 3hxj s ILE 143 CO 0.18 -0.32 -0.23 -0.69 0.24 0.00 0.00 174.94 174.12 3hxj s VAL 144 N -1.79 2.10 0.92 8.37 1.01 -1.26 0.20 120.40 129.94 3hxj s VAL 144 Ca 0.06 -0.99 -0.15 0.00 0.00 0.00 0.00 61.98 60.90 3hxj s VAL 144 Cb -0.07 -1.82 0.16 0.00 0.00 0.00 0.00 36.38 34.66 3hxj s VAL 144 CO 0.03 0.55 1.26 -0.94 0.00 0.00 0.00 175.10 176.01 3hxj s SER 145 N 0.57 3.49 0.24 3.32 1.04 0.33 -4.91 113.70 117.78 3hxj s SER 145 Ca -0.13 0.47 -0.05 0.00 0.48 0.00 0.00 55.95 56.72 3hxj s SER 145 Cb -0.17 -0.69 0.39 0.00 0.10 0.00 0.00 66.02 65.66 3hxj s SER 145 CO 0.04 -2.52 1.78 -0.08 0.98 0.00 0.00 173.24 173.44 3hxj h GLU 146 N -1.49 0.63 -0.40 4.02 4.81 -2.01 -1.45 114.58 118.69 3hxj h GLU 146 Ca -0.45 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 3hxj h GLU 146 Cb 1.27 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.51 3hxj h GLU 146 CO 0.48 0.42 0.00 -0.40 -0.73 0.00 0.00 179.01 178.77 3hxj n ASP 147 N -4.84 0.80 0.00 1.04 3.85 -1.26 -4.87 116.55 111.27 3hxj n ASP 147 Ca 0.13 -2.04 0.00 0.00 -0.71 0.00 0.00 54.79 52.17 3hxj n ASP 147 Cb 0.31 -0.22 0.00 0.00 -1.35 0.00 0.00 41.12 39.85 3hxj n ASP 147 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3hxj n GLY 148 N 0.41 1.18 3.72 6.12 0.00 -0.55 -4.89 105.19 111.19 3hxj n GLY 148 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 3hxj n GLY 148 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hxj s THR 149 N -3.12 2.97 -0.26 2.61 2.01 -1.26 -4.08 115.64 114.51 3hxj s THR 149 Ca 0.00 0.72 -0.10 0.00 0.31 0.00 0.00 61.69 62.62 3hxj s THR 149 Cb 0.00 -3.46 -0.05 0.00 0.01 0.00 0.00 72.50 69.00 3hxj s THR 149 CO 0.00 0.07 0.16 -0.63 -0.69 0.00 0.00 174.62 173.53 3hxj s ILE 150 N 0.88 5.19 -0.21 1.82 1.09 0.31 -0.51 121.20 129.77 3hxj s ILE 150 Ca 0.65 0.13 -0.07 0.00 -1.10 0.00 0.00 60.65 60.25 3hxj s ILE 150 Cb -0.40 -3.44 -0.04 0.00 -1.06 0.00 0.00 42.46 37.52 3hxj s ILE 150 CO 0.33 0.30 0.07 -0.31 -0.10 0.00 0.00 174.94 175.23 3hxj s TYR 151 N 1.43 3.18 -0.17 3.97 1.51 0.13 -1.04 117.35 126.35 3hxj s TYR 151 Ca 0.07 -0.11 -0.22 0.00 -1.01 0.00 0.00 57.07 55.80 3hxj s TYR 151 Cb -0.15 -2.14 0.06 0.00 -0.11 0.00 0.00 41.96 39.62 3hxj s TYR 151 CO 0.07 -0.05 0.58 0.54 -1.11 0.00 0.00 175.55 175.59 3hxj s VAL 152 N 0.86 0.01 0.31 0.71 0.11 -0.77 -1.78 120.40 119.84 3hxj s VAL 152 Ca 0.04 -0.05 0.06 0.00 -2.93 0.00 0.00 61.98 59.10 3hxj s VAL 152 Cb -0.14 -0.83 -0.02 0.00 -1.53 0.00 0.00 36.38 33.86 3hxj s VAL 152 CO 0.02 -0.02 0.40 -0.83 -3.33 0.00 0.00 175.10 171.34 3hxj s GLY 153 N -0.11 1.51 0.22 6.54 0.00 -1.26 -0.28 107.32 113.95 3hxj s GLY 153 Ca -0.03 -1.43 0.02 0.00 0.00 0.00 0.00 44.72 43.29 3hxj s GLY 153 CO 0.03 -1.38 0.03 -0.45 0.00 0.00 0.00 173.10 171.33 3hxj s SER 154 N -4.08 1.49 0.00 1.64 0.15 -0.62 -4.30 113.70 107.98 3hxj s SER 154 Ca 0.41 -1.26 0.19 0.00 0.70 0.00 0.00 55.95 55.99 3hxj s SER 154 Cb -0.09 0.08 1.08 0.00 -1.71 0.00 0.00 66.02 65.38 3hxj s SER 154 CO 0.30 -0.59 1.56 0.59 1.20 0.00 0.00 173.24 176.29 3hxj n ASN 155 N -0.39 0.00 -0.34 5.45 4.13 -0.47 -1.43 115.26 122.22 3hxj n ASN 155 Ca -0.04 -0.36 0.06 0.00 1.68 0.00 0.00 54.58 55.92 3hxj n ASN 155 Cb 0.64 -0.11 0.25 0.00 -1.54 0.00 0.00 39.78 39.02 3hxj n ASN 155 CO 0.00 0.00 0.00 -0.90 0.28 0.00 0.00 177.26 176.64 3hxj n ASP 156 N -1.11 0.99 0.00 6.41 5.68 -1.26 -4.54 116.55 122.72 3hxj n ASP 156 Ca 0.12 -1.82 0.00 0.00 -0.50 0.00 0.00 54.79 52.60 3hxj n ASP 156 Cb 0.10 -0.10 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 3hxj n ASP 156 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 3hxj n ASN 157 N -0.03 -0.46 -4.81 -1.12 3.02 -0.89 -4.94 115.26 106.02 3hxj n ASN 157 Ca 0.10 0.00 -0.32 0.00 -0.03 0.00 0.00 54.58 54.34 3hxj n ASN 157 Cb 0.19 -0.11 -0.06 0.00 -0.61 0.00 0.00 39.78 39.19 3hxj n ASN 157 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3hxj s TYR 158 N -3.66 3.30 -0.19 3.10 2.02 -1.26 -1.09 117.35 119.57 3hxj s TYR 158 Ca 0.00 0.17 -0.08 0.00 -0.37 0.00 0.00 57.07 56.79 3hxj s TYR 158 Cb 0.00 -1.70 -0.04 0.00 -0.40 0.00 0.00 41.96 39.82 3hxj s TYR 158 CO 0.00 0.55 0.07 -1.17 -1.57 0.00 0.00 175.55 173.43 3hxj s LEU 159 N -2.17 3.84 -0.01 -1.29 2.96 -0.16 -1.58 118.68 120.27 3hxj s LEU 159 Ca 0.28 0.08 0.03 0.00 -0.22 0.00 0.00 54.13 54.30 3hxj s LEU 159 Cb -0.12 -1.98 -0.03 0.00 0.50 0.00 0.00 46.19 44.56 3hxj s LEU 159 CO 0.20 0.16 -0.06 -0.31 -1.32 0.00 0.00 176.35 175.02 3hxj s TYR 160 N 0.45 2.91 -0.28 5.38 1.51 0.62 -0.43 117.35 127.51 3hxj s TYR 160 Ca 0.04 -0.02 -0.01 0.00 -1.01 0.00 0.00 57.07 56.07 3hxj s TYR 160 Cb -0.12 -1.63 0.05 0.00 -0.11 0.00 0.00 41.96 40.14 3hxj s TYR 160 CO 0.00 0.37 -0.03 0.00 -1.11 0.00 0.00 175.55 174.78 3hxj s ALA 161 N -0.97 2.74 -0.11 3.71 0.00 -0.06 -1.85 121.76 125.22 3hxj s ALA 161 Ca 0.16 -1.70 -0.02 0.00 0.00 0.00 0.00 51.96 50.41 3hxj s ALA 161 Cb -0.11 -1.82 -0.03 0.00 0.00 0.00 0.00 23.12 21.16 3hxj s ALA 161 CO 0.07 -1.16 -0.05 0.42 0.00 0.00 0.00 175.76 175.04 3hxj s ILE 162 N 1.24 3.79 0.70 0.00 1.01 -0.21 -0.08 121.20 127.65 3hxj s ILE 162 Ca -0.05 -0.42 -0.11 0.00 0.00 0.00 0.00 60.65 60.07 3hxj s ILE 162 Cb -0.19 -2.61 0.01 0.00 0.01 0.00 0.00 42.46 39.68 3hxj s ILE 162 CO -0.03 0.55 1.06 0.20 0.00 0.00 0.00 174.94 176.73 3hxj s ASN 163 N -0.20 5.38 0.52 3.58 0.01 0.12 -0.53 114.94 123.82 3hxj s ASN 163 Ca 0.03 1.46 0.27 0.00 -0.71 0.00 0.00 52.86 53.92 3hxj s ASN 163 Cb -0.13 -2.34 1.41 0.00 0.41 0.00 0.00 41.25 40.60 3hxj s ASN 163 CO 0.03 -1.42 1.94 -0.65 -1.51 0.00 0.00 177.10 175.48 3hxj h PRO 164 N -0.70 0.03 -0.22 -0.60 0.11 -1.88 0.27 132.00 129.01 3hxj h PRO 164 Ca -0.45 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3hxj h PRO 164 Cb 1.22 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3hxj h PRO 164 CO 0.59 0.02 0.00 -0.40 -0.21 0.00 0.00 178.00 178.00 3hxj n ASP 165 N -4.34 1.27 0.00 -2.05 5.75 -1.26 -4.89 116.55 111.03 3hxj n ASP 165 Ca 0.14 -1.93 0.00 0.00 -0.01 0.00 0.00 54.79 52.99 3hxj n ASP 165 Cb 0.77 -0.15 0.00 0.00 -1.03 0.00 0.00 41.12 40.71 3hxj n ASP 165 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3hxj n GLY 166 N 0.91 0.80 3.92 6.12 0.00 0.08 -5.03 105.19 111.99 3hxj n GLY 166 Ca 0.09 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.85 3hxj n GLY 166 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hxj s THR 167 N -3.02 5.00 -0.26 2.61 -4.23 -1.26 -4.78 115.64 109.71 3hxj s THR 167 Ca 0.00 -0.04 -0.26 0.00 -1.18 0.00 0.00 61.69 60.22 3hxj s THR 167 Cb 0.00 -3.81 0.00 0.00 1.34 0.00 0.00 72.50 70.03 3hxj s THR 167 CO 0.00 -0.57 0.88 -0.70 -0.54 0.00 0.00 174.62 173.70 3hxj s GLU 168 N -4.17 4.15 -0.05 3.99 2.12 -1.26 0.11 118.70 123.60 3hxj s GLU 168 Ca 0.44 0.98 -0.24 0.00 0.36 0.00 0.00 54.97 56.51 3hxj s GLU 168 Cb -0.10 -3.66 -0.23 0.00 0.26 0.00 0.00 34.13 30.39 3hxj s GLU 168 CO 0.36 -0.60 1.04 -0.22 -0.54 0.00 0.00 175.26 175.30 3hxj h LYS 169 N 7.74 0.20 -1.77 4.30 3.64 -0.82 -3.47 116.57 126.39 3hxj h LYS 169 Ca -0.22 -0.21 0.30 0.00 -1.27 0.00 0.00 60.65 59.25 3hxj h LYS 169 Cb 1.08 0.06 -0.10 0.00 -0.41 0.00 0.00 32.23 32.86 3hxj h LYS 169 CO 0.91 0.94 0.78 1.67 -2.27 0.00 0.00 179.45 181.48 3hxj s TRP 170 N -3.13 -0.03 -0.02 1.91 1.48 -1.13 -5.02 118.94 113.00 3hxj s TRP 170 Ca -0.16 -0.12 -0.07 0.00 -1.06 0.00 0.00 56.10 54.69 3hxj s TRP 170 Cb 0.01 0.57 0.01 0.00 -1.16 0.00 0.00 33.47 32.90 3hxj s TRP 170 CO 0.75 -0.39 0.15 -0.98 -4.06 0.00 0.00 176.95 172.42 3hxj s ARG 171 N -2.42 0.41 -0.17 3.25 1.70 -1.26 -0.88 118.95 119.58 3hxj s ARG 171 Ca 0.18 -0.21 0.01 0.00 -0.47 0.00 0.00 55.73 55.24 3hxj s ARG 171 Cb 0.03 0.17 0.02 0.00 -0.57 0.00 0.00 34.95 34.60 3hxj s ARG 171 CO -0.02 -0.09 -0.20 0.12 -1.08 0.00 0.00 175.30 174.04 3hxj s PHE 172 N -0.96 2.66 0.07 5.89 2.19 0.42 -4.94 117.98 123.32 3hxj s PHE 172 Ca -0.10 -1.52 -0.29 0.00 0.33 0.00 0.00 56.93 55.35 3hxj s PHE 172 Cb -0.06 -1.85 -0.05 0.00 -1.31 0.00 0.00 43.02 39.76 3hxj s PHE 172 CO 0.01 -0.75 0.92 0.21 1.83 0.00 0.00 175.22 177.45 3hxj s LYS 173 N 1.21 4.63 0.32 10.12 2.20 -1.26 -0.99 119.74 135.96 3hxj s LYS 173 Ca 0.02 1.36 0.01 0.00 -0.36 0.00 0.00 55.97 57.01 3hxj s LYS 173 Cb -0.14 -3.39 -0.01 0.00 -1.51 0.00 0.00 37.83 32.79 3hxj s LYS 173 CO -0.10 0.17 0.05 0.25 -0.36 0.00 0.00 175.35 175.35 3hxj n THR 174 N 3.05 0.00 -0.61 3.43 -2.24 -0.25 -4.99 114.28 112.67 3hxj n THR 174 Ca 0.02 -1.66 0.09 0.00 -2.27 0.00 0.00 64.05 60.23 3hxj n THR 174 Cb 0.50 0.46 0.31 0.00 -2.10 0.00 0.00 70.33 69.51 3hxj n THR 174 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3hxj n ASN 175 N -1.45 4.37 -3.55 3.42 5.03 -1.26 -4.79 115.26 117.03 3hxj n ASN 175 Ca -0.09 -2.46 -0.11 0.00 0.87 0.00 0.00 54.58 52.79 3hxj n ASN 175 Cb 0.44 -0.52 -0.02 0.00 -1.02 0.00 0.00 39.78 38.65 3hxj n ASN 175 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 3hxj s ASP 176 N -1.07 -0.48 0.36 6.41 2.15 -1.26 -4.81 116.67 117.96 3hxj s ASP 176 Ca 0.46 -0.18 -0.28 0.00 0.43 0.00 0.00 52.55 52.98 3hxj s ASP 176 Cb 0.30 0.63 -0.11 0.00 -0.30 0.00 0.00 42.92 43.45 3hxj s ASP 176 CO 0.21 -1.07 1.40 0.00 -0.17 0.00 0.00 175.17 175.54 3hxj s ALA 177 N -3.80 3.52 -0.43 3.66 0.00 -1.26 -4.09 121.76 119.36 3hxj s ALA 177 Ca 0.04 1.43 -0.14 0.00 0.00 0.00 0.00 51.96 53.29 3hxj s ALA 177 Cb -0.02 -3.55 0.05 0.00 0.00 0.00 0.00 23.12 19.60 3hxj s ALA 177 CO -0.07 -0.88 0.32 0.42 0.00 0.00 0.00 175.76 175.55 3hxj s ILE 178 N -1.14 5.03 -0.74 0.00 1.01 -0.51 -4.70 121.20 120.15 3hxj s ILE 178 Ca 0.51 -0.93 0.07 0.00 0.00 0.00 0.00 60.65 60.30 3hxj s ILE 178 Cb -0.43 -3.91 0.15 0.00 0.01 0.00 0.00 42.46 38.27 3hxj s ILE 178 CO 0.58 -0.43 1.01 0.35 0.00 0.00 0.00 174.94 176.45 3hxj n THR 179 N 5.13 0.62 -4.41 2.92 -2.24 -1.26 -3.59 114.28 111.45 3hxj n THR 179 Ca -0.12 -0.81 -0.24 0.00 -2.27 0.00 0.00 64.05 60.61 3hxj n THR 179 Cb 0.45 0.75 -0.11 0.00 -2.10 0.00 0.00 70.33 69.32 3hxj n THR 179 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3hxj s SER 180 N -0.86 3.22 0.72 3.42 1.04 -1.26 -4.17 113.70 115.82 3hxj s SER 180 Ca 0.13 -0.92 -0.11 0.00 0.48 0.00 0.00 55.95 55.54 3hxj s SER 180 Cb 0.07 -0.23 0.02 0.00 0.10 0.00 0.00 66.02 65.98 3hxj s SER 180 CO 0.10 0.04 1.07 0.00 0.98 0.00 0.00 173.24 175.44 3hxj s ALA 181 N -2.05 2.54 0.44 5.32 0.00 -1.26 -4.63 121.76 122.11 3hxj s ALA 181 Ca 0.22 0.16 0.03 0.00 0.00 0.00 0.00 51.96 52.37 3hxj s ALA 181 Cb -0.06 -3.21 0.00 0.00 0.00 0.00 0.00 23.12 19.85 3hxj s ALA 181 CO 0.10 -1.40 0.63 0.00 0.00 0.00 0.00 175.76 175.09 3hxj s ALA 182 N -2.98 4.00 0.16 0.00 0.00 -1.26 -4.48 121.76 117.20 3hxj s ALA 182 Ca 0.59 -1.29 0.09 0.00 0.00 0.00 0.00 51.96 51.36 3hxj s ALA 182 Cb -0.15 -1.95 -0.04 0.00 0.00 0.00 0.00 23.12 20.98 3hxj s ALA 182 CO 0.55 -0.35 -0.21 -1.12 0.00 0.00 0.00 175.76 174.63 3hxj s SER 183 N -4.26 2.92 -0.11 0.00 0.01 0.12 -4.85 113.70 107.53 3hxj s SER 183 Ca 0.50 -0.83 0.01 0.00 1.31 0.00 0.00 55.95 56.94 3hxj s SER 183 Cb -0.10 -0.19 0.02 0.00 0.21 0.00 0.00 66.02 65.96 3hxj s SER 183 CO 0.36 0.04 -0.12 -0.63 0.41 0.00 0.00 173.24 173.29 3hxj s ILE 184 N -1.72 1.31 0.64 1.44 1.01 0.37 -0.09 121.20 124.16 3hxj s ILE 184 Ca 0.15 -0.51 -0.10 0.00 0.00 0.00 0.00 60.65 60.19 3hxj s ILE 184 Cb -0.07 -1.24 -0.01 0.00 0.01 0.00 0.00 42.46 41.15 3hxj s ILE 184 CO 0.07 0.41 1.01 -0.83 0.00 0.00 0.00 174.94 175.60 3hxj s GLY 185 N 1.22 1.62 0.42 6.18 0.00 -0.57 -4.23 107.32 111.97 3hxj s GLY 185 Ca -0.03 -0.32 0.18 0.00 0.00 0.00 0.00 44.72 44.55 3hxj s GLY 185 CO -0.04 -0.02 1.86 0.50 0.00 0.00 0.00 173.10 175.40 3hxj h LYS 186 N -0.38 0.38 0.00 2.90 1.79 -1.94 0.47 116.57 119.79 3hxj h LYS 186 Ca -0.45 -0.02 -0.01 0.00 -2.18 0.00 0.00 60.65 57.99 3hxj h LYS 186 Cb 1.23 -0.09 -0.00 0.00 -1.58 0.00 0.00 32.23 31.79 3hxj h LYS 186 CO 0.63 0.25 -0.03 0.22 -1.08 0.00 0.00 179.45 179.43 3hxj h ASP 187 N 0.39 0.00 0.00 0.86 3.58 -2.02 -3.45 116.42 115.78 3hxj h ASP 187 Ca 0.46 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.91 3hxj h ASP 187 Cb 1.15 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.20 3hxj h ASP 187 CO -0.17 0.03 0.00 0.61 -2.88 0.00 0.00 179.24 176.84 3hxj n GLY 188 N -1.38 1.64 3.69 -0.78 0.00 0.17 -4.99 105.19 103.53 3hxj n GLY 188 Ca -0.03 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.55 3hxj n GLY 188 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3hxj n THR 189 N -1.09 0.73 -3.66 2.61 -1.04 -1.26 -4.36 114.28 106.22 3hxj n THR 189 Ca 0.00 -0.18 -0.36 0.00 -2.04 0.00 0.00 64.05 61.47 3hxj n THR 189 Cb 0.00 -1.62 -0.09 0.00 -1.82 0.00 0.00 70.33 66.80 3hxj n THR 189 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 3hxj s ILE 190 N 0.21 5.36 -0.12 12.58 1.01 0.12 -1.51 121.20 138.85 3hxj s ILE 190 Ca 0.70 0.24 0.01 0.00 0.00 0.00 0.00 60.65 61.59 3hxj s ILE 190 Cb -0.61 -3.51 -0.01 0.00 0.01 0.00 0.00 42.46 38.33 3hxj s ILE 190 CO 0.46 0.37 -0.15 -0.31 0.00 0.00 0.00 174.94 175.32 3hxj s TYR 191 N 0.80 2.77 0.27 3.97 2.02 0.87 0.24 117.35 128.30 3hxj s TYR 191 Ca 0.09 -0.70 -0.17 0.00 -0.37 0.00 0.00 57.07 55.91 3hxj s TYR 191 Cb -0.13 -1.82 0.01 0.00 -0.40 0.00 0.00 41.96 39.62 3hxj s TYR 191 CO 0.02 -0.24 0.62 -0.59 -1.57 0.00 0.00 175.55 173.80 3hxj s PHE 192 N 0.34 0.07 0.05 2.71 -0.71 -0.91 0.14 117.98 119.66 3hxj s PHE 192 Ca -0.12 -0.49 0.04 0.00 -1.04 0.00 0.00 56.93 55.32 3hxj s PHE 192 Cb -0.16 0.49 -0.02 0.00 -1.21 0.00 0.00 43.02 42.11 3hxj s PHE 192 CO 0.06 -1.15 -0.11 0.20 -1.34 0.00 0.00 175.22 172.88 3hxj s GLY 193 N -2.97 0.69 0.00 1.99 0.00 -1.26 -0.47 107.32 105.30 3hxj s GLY 193 Ca 0.16 -0.85 0.00 0.00 0.00 0.00 0.00 44.72 44.04 3hxj s GLY 193 CO 0.08 -0.87 0.00 -1.14 0.00 0.00 0.00 173.10 171.17 3hxj n SER 194 N 1.53 0.00 0.26 1.64 3.41 -1.25 -4.61 113.62 114.60 3hxj n SER 194 Ca -0.21 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.52 3hxj n SER 194 Cb 0.55 0.00 0.70 0.00 -0.26 0.00 0.00 64.21 65.19 3hxj n SER 194 CO 0.00 0.00 0.00 -2.24 -0.16 0.00 0.00 175.04 172.64 3hxj h ASP 195 N 0.00 0.00 -5.19 4.04 -0.00 -1.86 0.05 116.42 113.46 3hxj h ASP 195 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 57.03 56.94 3hxj h ASP 195 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 39.33 39.29 3hxj h ASP 195 CO 0.00 0.13 0.09 -1.59 -0.00 0.00 0.00 179.24 177.87 3hxj s LYS 196 N -4.13 2.03 0.08 4.15 -2.85 -1.26 -4.21 119.74 113.55 3hxj s LYS 196 Ca -0.02 -1.48 -0.27 0.00 -1.00 0.00 0.00 55.97 53.20 3hxj s LYS 196 Cb 0.13 0.55 -0.06 0.00 -2.06 0.00 0.00 37.83 36.39 3hxj s LYS 196 CO 0.59 -0.91 0.84 0.08 0.10 0.00 0.00 175.35 176.05 3hxj s VAL 197 N -2.85 4.60 0.04 1.79 1.01 0.18 -4.40 120.40 120.77 3hxj s VAL 197 Ca 0.20 1.81 0.08 0.00 0.00 0.00 0.00 61.98 64.07 3hxj s VAL 197 Cb -0.03 -4.20 -0.03 0.00 0.00 0.00 0.00 36.38 32.12 3hxj s VAL 197 CO 0.14 0.36 -0.23 -0.31 0.00 0.00 0.00 175.10 175.06 3hxj s TYR 198 N -0.16 2.00 -0.22 5.22 2.02 0.38 -0.29 117.35 126.30 3hxj s TYR 198 Ca 0.41 -0.39 0.02 0.00 -0.37 0.00 0.00 57.07 56.74 3hxj s TYR 198 Cb -0.22 -1.21 0.04 0.00 -0.40 0.00 0.00 41.96 40.17 3hxj s TYR 198 CO 0.26 0.09 -0.15 0.00 -1.57 0.00 0.00 175.55 174.17 3hxj s ALA 199 N -0.76 2.46 -0.06 3.71 0.00 0.00 -2.15 121.76 124.95 3hxj s ALA 199 Ca 0.09 -1.47 0.04 0.00 0.00 0.00 0.00 51.96 50.62 3hxj s ALA 199 Cb -0.09 -1.39 -0.02 0.00 0.00 0.00 0.00 23.12 21.62 3hxj s ALA 199 CO 0.02 -0.74 -0.17 0.42 0.00 0.00 0.00 175.76 175.28 3hxj s ILE 200 N 1.21 2.76 0.59 0.00 1.09 0.14 -0.54 121.20 126.44 3hxj s ILE 200 Ca -0.01 -0.82 -0.16 0.00 -1.10 0.00 0.00 60.65 58.56 3hxj s ILE 200 Cb -0.16 -2.07 -0.04 0.00 -1.06 0.00 0.00 42.46 39.13 3hxj s ILE 200 CO -0.09 0.57 1.06 0.20 -0.10 0.00 0.00 174.94 176.58 3hxj s ASN 201 N -0.42 5.79 0.58 3.58 0.01 0.74 0.13 114.94 125.35 3hxj s ASN 201 Ca 0.05 1.84 0.31 0.00 -0.71 0.00 0.00 52.86 54.34 3hxj s ASN 201 Cb -0.12 -2.54 1.41 0.00 0.41 0.00 0.00 41.25 40.42 3hxj s ASN 201 CO 0.02 -1.16 1.78 -0.65 -1.51 0.00 0.00 177.10 175.58 3hxj h PRO 202 N 0.52 0.00 -0.01 -0.60 0.11 -1.88 0.22 132.00 130.36 3hxj h PRO 202 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3hxj h PRO 202 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3hxj h PRO 202 CO 0.57 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.96 3hxj n ASP 203 N -3.79 0.89 0.00 -2.05 5.75 -1.26 -4.92 116.55 111.17 3hxj n ASP 203 Ca 0.15 -1.30 0.00 0.00 -0.01 0.00 0.00 54.79 53.64 3hxj n ASP 203 Cb 0.96 -0.00 0.00 0.00 -1.03 0.00 0.00 41.12 41.05 3hxj n ASP 203 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3hxj n GLY 204 N 1.10 0.54 3.86 6.12 0.00 0.78 -4.97 105.19 112.62 3hxj n GLY 204 Ca 0.21 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.91 3hxj n GLY 204 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hxj s THR 205 N -2.25 4.77 0.06 2.61 -4.23 -1.26 -4.82 115.64 110.53 3hxj s THR 205 Ca 0.00 0.79 -0.30 0.00 -1.18 0.00 0.00 61.69 61.00 3hxj s THR 205 Cb 0.00 -3.63 -0.05 0.00 1.34 0.00 0.00 72.50 70.16 3hxj s THR 205 CO 0.00 -0.11 1.11 -0.70 -0.54 0.00 0.00 174.62 174.37 3hxj s GLU 206 N -2.85 4.51 -0.11 3.99 2.12 -1.26 -0.18 118.70 124.92 3hxj s GLU 206 Ca 0.51 1.64 -0.10 0.00 0.36 0.00 0.00 54.97 57.38 3hxj s GLU 206 Cb -0.11 -3.37 -0.27 0.00 0.26 0.00 0.00 34.13 30.64 3hxj s GLU 206 CO 0.19 -0.12 0.44 -0.22 -0.54 0.00 0.00 175.26 175.01 3hxj h LYS 207 N 6.49 0.27 0.00 4.30 3.64 -1.16 -3.46 116.57 126.65 3hxj h LYS 207 Ca -0.42 -0.46 0.00 0.00 -1.27 0.00 0.00 60.65 58.50 3hxj h LYS 207 Cb 1.22 0.17 0.00 0.00 -0.41 0.00 0.00 32.23 33.21 3hxj h LYS 207 CO 0.78 1.22 0.00 -2.67 -2.27 0.00 0.00 179.45 176.51 3hxj n TRP 208 N -3.64 0.00 -3.98 1.91 4.27 -1.13 -5.02 117.44 109.84 3hxj n TRP 208 Ca -0.30 0.00 -0.08 0.00 -3.89 0.00 0.00 57.50 53.23 3hxj n TRP 208 Cb 1.01 0.00 -0.09 0.00 -1.36 0.00 0.00 31.31 30.86 3hxj n TRP 208 CO 0.00 0.00 0.00 0.54 -2.29 0.00 0.00 177.69 175.94 3hxj s ASN 209 N 0.00 0.30 -0.10 -0.67 4.22 -1.26 -0.82 114.94 116.61 3hxj s ASN 209 Ca 0.00 -0.74 -0.06 0.00 -2.14 0.00 0.00 52.86 49.92 3hxj s ASN 209 Cb 0.00 0.23 0.04 0.00 1.28 0.00 0.00 41.25 42.80 3hxj s ASN 209 CO 0.00 -0.57 0.25 0.12 -2.04 0.00 0.00 177.10 174.86 3hxj s PHE 210 N -3.28 -0.32 -0.38 1.54 2.19 0.60 -4.98 117.98 113.36 3hxj s PHE 210 Ca 0.01 0.76 -0.16 0.00 0.33 0.00 0.00 56.93 57.87 3hxj s PHE 210 Cb 0.03 0.07 0.01 0.00 -1.31 0.00 0.00 43.02 41.81 3hxj s PHE 210 CO -0.08 -0.20 0.37 -0.47 1.83 0.00 0.00 175.22 176.67 3hxj s TYR 211 N 0.89 3.20 -0.24 10.12 5.04 -1.26 0.52 117.35 135.62 3hxj s TYR 211 Ca -0.06 -0.26 -0.01 0.00 -2.44 0.00 0.00 57.07 54.29 3hxj s TYR 211 Cb -0.07 -2.73 0.12 0.00 0.35 0.00 0.00 41.96 39.62 3hxj s TYR 211 CO -0.06 -0.55 2.20 0.00 -1.34 0.00 0.00 175.55 175.80 3hxj n ALA 212 N 5.41 5.09 -0.58 3.97 0.00 -1.26 -4.79 120.51 128.35 3hxj n ALA 212 Ca -0.09 -1.44 0.00 0.00 0.00 0.00 0.00 53.44 51.91 3hxj n ALA 212 Cb 0.48 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.50 3hxj n ALA 212 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hxj n GLY 213 N 0.81 1.21 3.60 0.00 0.00 -1.26 -4.72 105.19 104.84 3hxj n GLY 213 Ca 0.26 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.23 3hxj n GLY 213 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3hxj s TYR 214 N -2.95 -0.19 0.64 1.61 5.04 -1.26 -4.69 117.35 115.54 3hxj s TYR 214 Ca 0.00 0.05 -0.17 0.00 -2.44 0.00 0.00 57.07 54.51 3hxj s TYR 214 Cb 0.00 0.56 -0.01 0.00 0.35 0.00 0.00 41.96 42.86 3hxj s TYR 214 CO 0.00 -0.47 1.20 1.67 -1.34 0.00 0.00 175.55 176.60 3hxj s TRP 215 N -2.86 2.32 -0.17 4.97 -2.14 -1.26 -4.76 118.94 115.04 3hxj s TRP 215 Ca 0.09 1.54 -0.10 0.00 2.66 0.00 0.00 56.10 60.29 3hxj s TRP 215 Cb -0.00 -3.44 -0.05 0.00 -3.10 0.00 0.00 33.47 26.88 3hxj s TRP 215 CO -0.05 -2.27 0.17 0.99 -2.66 0.00 0.00 176.95 173.13 3hxj s THR 216 N -1.79 5.41 -0.03 0.66 2.01 0.00 -4.67 115.64 117.23 3hxj s THR 216 Ca 0.75 0.27 0.04 0.00 0.31 0.00 0.00 61.69 63.07 3hxj s THR 216 Cb -0.29 -3.49 0.07 0.00 0.01 0.00 0.00 72.50 68.80 3hxj s THR 216 CO 0.37 0.48 0.91 1.33 -0.69 0.00 0.00 174.62 177.03 3hxj n VAL 217 N 3.07 0.80 -4.33 3.82 0.24 -1.26 -3.81 118.33 116.85 3hxj n VAL 217 Ca -0.16 -0.89 -0.17 0.00 -2.04 0.00 0.00 64.34 61.08 3hxj n VAL 217 Cb 0.53 0.46 -0.10 0.00 -1.47 0.00 0.00 33.84 33.25 3hxj n VAL 217 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 3hxj s THR 218 N -1.03 0.81 0.23 3.34 -4.23 -1.26 -4.59 115.64 108.91 3hxj s THR 218 Ca 0.07 -2.01 -0.26 0.00 -1.18 0.00 0.00 61.69 58.31 3hxj s THR 218 Cb 0.06 -2.50 -0.09 0.00 1.34 0.00 0.00 72.50 71.32 3hxj s THR 218 CO 0.01 -0.17 0.86 -0.13 -0.54 0.00 0.00 174.62 174.65 3hxj s ARG 219 N -3.94 4.63 0.44 3.99 0.52 -1.26 -4.61 118.95 118.72 3hxj s ARG 219 Ca 0.33 1.27 -0.22 0.00 -0.52 0.00 0.00 55.73 56.59 3hxj s ARG 219 Cb 0.07 -3.13 -0.09 0.00 0.52 0.00 0.00 34.95 32.31 3hxj s ARG 219 CO 0.11 0.48 1.01 -2.14 0.02 0.00 0.00 175.30 174.78 3hxj s PRO 220 N -1.43 4.04 -0.16 3.54 0.02 -1.26 -4.54 135.00 135.21 3hxj s PRO 220 Ca 0.41 1.32 -0.05 0.00 0.02 0.00 0.00 61.00 62.70 3hxj s PRO 220 Cb -0.22 -2.25 -0.03 0.00 0.02 0.00 0.00 34.50 32.01 3hxj s PRO 220 CO 0.27 -0.22 0.01 0.00 -0.33 0.00 0.00 177.00 176.73 3hxj s ALA 221 N -1.95 3.18 -0.24 -1.55 0.00 0.44 -4.20 121.76 117.44 3hxj s ALA 221 Ca 0.63 -0.78 -0.07 0.00 0.00 0.00 0.00 51.96 51.74 3hxj s ALA 221 Cb -0.16 -1.71 -0.03 0.00 0.00 0.00 0.00 23.12 21.23 3hxj s ALA 221 CO 0.20 0.21 0.06 0.42 0.00 0.00 0.00 175.76 176.65 3hxj s ILE 222 N 0.33 4.23 0.72 0.00 -1.09 -0.32 0.05 121.20 125.13 3hxj s ILE 222 Ca -0.01 -0.20 -0.10 0.00 -2.23 0.00 0.00 60.65 58.11 3hxj s ILE 222 Cb -0.13 -2.97 0.04 0.00 -1.58 0.00 0.00 42.46 37.82 3hxj s ILE 222 CO 0.02 0.36 1.09 -0.55 -1.23 0.00 0.00 174.94 174.62 3hxj s SER 223 N 1.52 5.12 0.18 3.58 0.15 -0.02 -4.88 113.70 119.35 3hxj s SER 223 Ca 0.06 0.90 -0.11 0.00 0.70 0.00 0.00 55.95 57.50 3hxj s SER 223 Cb -0.15 -1.62 0.10 0.00 -1.71 0.00 0.00 66.02 62.64 3hxj s SER 223 CO 0.03 -1.50 1.73 -0.33 1.20 0.00 0.00 173.24 174.37 3hxj h GLU 224 N -0.71 0.99 0.00 5.44 4.39 -1.99 -1.86 114.58 120.84 3hxj h GLU 224 Ca -0.45 -0.20 0.00 0.00 0.34 0.00 0.00 59.36 59.05 3hxj h GLU 224 Cb 1.28 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 29.78 3hxj h GLU 224 CO 0.64 0.85 0.00 -0.40 -1.16 0.00 0.00 179.01 178.94 3hxj n ASP 225 N -4.38 0.00 0.00 1.42 5.75 -1.26 -4.86 116.55 113.22 3hxj n ASP 225 Ca 0.04 -0.85 0.00 0.00 -0.01 0.00 0.00 54.79 53.97 3hxj n ASP 225 Cb 0.19 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.28 3hxj n ASP 225 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3hxj n GLY 226 N 0.49 0.46 3.77 6.12 0.00 -0.70 -4.96 105.19 110.38 3hxj n GLY 226 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 3hxj n GLY 226 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hxj s THR 227 N -2.17 2.23 -0.23 2.61 2.01 -1.26 -4.27 115.64 114.56 3hxj s THR 227 Ca 0.00 0.23 -0.05 0.00 0.31 0.00 0.00 61.69 62.18 3hxj s THR 227 Cb 0.00 -3.15 -0.02 0.00 0.01 0.00 0.00 72.50 69.35 3hxj s THR 227 CO 0.00 0.05 0.01 -0.63 -0.69 0.00 0.00 174.62 173.36 3hxj s ILE 228 N -0.98 3.80 -0.14 1.82 1.09 0.34 -0.84 121.20 126.29 3hxj s ILE 228 Ca 0.53 -0.35 -0.05 0.00 -1.10 0.00 0.00 60.65 59.68 3hxj s ILE 228 Cb -0.45 -2.75 -0.04 0.00 -1.06 0.00 0.00 42.46 38.16 3hxj s ILE 228 CO 0.59 0.39 0.04 -0.31 -0.10 0.00 0.00 174.94 175.54 3hxj s TYR 229 N 1.51 3.24 -0.01 3.97 2.02 0.11 -0.02 117.35 128.17 3hxj s TYR 229 Ca 0.06 0.13 0.01 0.00 -0.37 0.00 0.00 57.07 56.89 3hxj s TYR 229 Cb -0.15 -1.95 0.01 0.00 -0.40 0.00 0.00 41.96 39.47 3hxj s TYR 229 CO -0.00 0.31 -0.02 0.14 -1.57 0.00 0.00 175.55 174.40 3hxj s VAL 230 N -0.21 0.24 0.48 0.71 -7.23 -0.65 -0.42 120.40 113.33 3hxj s VAL 230 Ca 0.07 -0.07 -0.04 0.00 -1.81 0.00 0.00 61.98 60.13 3hxj s VAL 230 Cb -0.12 -0.25 -0.02 0.00 0.56 0.00 0.00 36.38 36.55 3hxj s VAL 230 CO 0.02 0.10 0.76 0.42 -0.31 0.00 0.00 175.10 176.08 3hxj s THR 231 N 0.26 4.56 0.01 5.32 -4.23 -1.26 -0.36 115.64 119.95 3hxj s THR 231 Ca -0.02 -0.03 -0.01 0.00 -1.18 0.00 0.00 61.69 60.45 3hxj s THR 231 Cb -0.05 -3.73 -0.01 0.00 1.34 0.00 0.00 72.50 70.04 3hxj s THR 231 CO -0.01 -0.66 0.00 -0.94 -0.54 0.00 0.00 174.62 172.47 3hxj s SER 232 N -4.15 0.18 0.24 3.99 1.04 -0.31 -4.90 113.70 109.79 3hxj s SER 232 Ca 0.48 -0.40 0.19 0.00 0.48 0.00 0.00 55.95 56.69 3hxj s SER 232 Cb -0.10 0.11 0.93 0.00 0.10 0.00 0.00 66.02 67.07 3hxj s SER 232 CO 0.43 -0.29 1.58 0.18 0.98 0.00 0.00 173.24 176.12 3hxj n LEU 233 N 1.70 0.49 -0.01 2.42 4.77 -1.23 -1.66 117.00 123.48 3hxj n LEU 233 Ca -0.23 0.69 0.08 0.00 -0.03 0.00 0.00 56.01 56.52 3hxj n LEU 233 Cb 0.55 -0.70 0.49 0.00 -2.33 0.00 0.00 43.42 41.43 3hxj n LEU 233 CO 0.21 -0.74 0.81 -0.90 -1.33 0.00 0.00 177.39 175.44 3hxj n ASP 234 N -2.11 0.02 -0.68 -1.43 5.75 -1.26 -4.38 116.55 112.46 3hxj n ASP 234 Ca 0.00 -1.49 -0.00 0.00 -0.01 0.00 0.00 54.79 53.29 3hxj n ASP 234 Cb 0.09 -0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.18 3hxj n ASP 234 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3hxj n GLY 235 N 0.76 0.79 3.19 6.12 0.00 -0.66 -4.92 105.19 110.47 3hxj n GLY 235 Ca 0.12 -0.61 -0.12 0.00 0.00 0.00 0.00 46.02 45.41 3hxj n GLY 235 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3hxj s HIS 236 N -3.00 -0.06 -0.20 1.61 3.76 -1.24 -0.93 115.29 115.23 3hxj s HIS 236 Ca 0.00 0.01 -0.06 0.00 -0.15 0.00 0.00 55.06 54.86 3hxj s HIS 236 Cb -0.00 0.03 -0.03 0.00 1.11 0.00 0.00 32.58 33.68 3hxj s HIS 236 CO 0.01 -0.37 0.02 -1.17 -0.85 0.00 0.00 174.74 172.37 3hxj s LEU 237 N -1.56 3.41 -0.01 0.89 2.96 -0.35 -1.17 118.68 122.85 3hxj s LEU 237 Ca -0.12 -0.13 0.01 0.00 -0.22 0.00 0.00 54.13 53.68 3hxj s LEU 237 Cb -0.05 -1.87 -0.03 0.00 0.50 0.00 0.00 46.19 44.74 3hxj s LEU 237 CO 0.01 0.09 -0.01 -0.31 -1.32 0.00 0.00 176.35 174.81 3hxj s TYR 238 N 0.85 3.05 -0.18 5.38 1.51 0.51 -0.68 117.35 127.80 3hxj s TYR 238 Ca 0.02 0.07 0.01 0.00 -1.01 0.00 0.00 57.07 56.16 3hxj s TYR 238 Cb -0.14 -1.68 0.01 0.00 -0.11 0.00 0.00 41.96 40.05 3hxj s TYR 238 CO 0.02 0.44 -0.18 0.00 -1.11 0.00 0.00 175.55 174.72 3hxj s ALA 239 N -1.04 2.38 -0.11 3.71 0.00 -0.10 -1.63 121.76 124.97 3hxj s ALA 239 Ca 0.18 -1.18 0.01 0.00 0.00 0.00 0.00 51.96 50.96 3hxj s ALA 239 Cb -0.11 -1.21 -0.02 0.00 0.00 0.00 0.00 23.12 21.78 3hxj s ALA 239 CO 0.09 -0.29 -0.13 0.42 0.00 0.00 0.00 175.76 175.85 3hxj s ILE 240 N 1.20 3.11 0.70 0.00 1.01 0.97 -0.08 121.20 128.11 3hxj s ILE 240 Ca 0.03 -0.66 -0.11 0.00 0.00 0.00 0.00 60.65 59.91 3hxj s ILE 240 Cb -0.14 -2.29 0.01 0.00 0.01 0.00 0.00 42.46 40.06 3hxj s ILE 240 CO -0.09 0.54 1.07 0.20 0.00 0.00 0.00 174.94 176.65 3hxj s ASN 241 N 0.06 5.28 0.52 3.58 0.01 0.81 -0.50 114.94 124.69 3hxj s ASN 241 Ca -0.05 1.67 0.28 0.00 -0.71 0.00 0.00 52.86 54.06 3hxj s ASN 241 Cb -0.14 -2.50 1.41 0.00 0.41 0.00 0.00 41.25 40.42 3hxj s ASN 241 CO 0.04 -1.51 1.91 -0.65 -1.51 0.00 0.00 177.10 175.38 3hxj h PRO 242 N -0.66 0.06 -0.12 -0.60 0.11 -1.88 0.16 132.00 129.07 3hxj h PRO 242 Ca -0.44 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3hxj h PRO 242 Cb 1.21 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3hxj h PRO 242 CO 0.56 0.04 0.00 -0.40 -0.21 0.00 0.00 178.00 177.99 3hxj n ASP 243 N -4.33 1.05 0.00 -2.05 5.75 -1.26 -4.90 116.55 110.81 3hxj n ASP 243 Ca 0.17 -1.67 0.00 0.00 -0.01 0.00 0.00 54.79 53.28 3hxj n ASP 243 Cb 0.85 -0.08 0.00 0.00 -1.03 0.00 0.00 41.12 40.86 3hxj n ASP 243 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3hxj n GLY 244 N 0.97 0.78 3.85 6.12 0.00 0.57 -4.98 105.19 112.50 3hxj n GLY 244 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 3hxj n GLY 244 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hxj s THR 245 N -3.09 4.73 -0.02 2.61 -4.23 -1.25 -4.79 115.64 109.60 3hxj s THR 245 Ca 0.00 0.86 -0.30 0.00 -1.18 0.00 0.00 61.69 61.07 3hxj s THR 245 Cb 0.00 -3.61 -0.04 0.00 1.34 0.00 0.00 72.50 70.18 3hxj s THR 245 CO 0.00 -0.17 1.28 -0.70 -0.54 0.00 0.00 174.62 174.49 3hxj s GLU 246 N -2.96 4.33 -0.13 3.99 2.12 -1.26 -0.13 118.70 124.66 3hxj s GLU 246 Ca 0.53 1.80 -0.16 0.00 0.36 0.00 0.00 54.97 57.50 3hxj s GLU 246 Cb -0.10 -3.54 -0.15 0.00 0.26 0.00 0.00 34.13 30.60 3hxj s GLU 246 CO 0.18 -0.48 0.42 -0.22 -0.54 0.00 0.00 175.26 174.63 3hxj h LYS 247 N 7.53 0.00 -2.35 4.30 3.64 -0.82 -3.46 116.57 125.41 3hxj h LYS 247 Ca -0.36 0.00 0.19 0.00 -1.27 0.00 0.00 60.65 59.20 3hxj h LYS 247 Cb 1.17 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.93 3hxj h LYS 247 CO 0.88 0.57 0.57 1.67 -2.27 0.00 0.00 179.45 180.87 3hxj s TRP 248 N -1.95 -0.02 0.00 1.91 1.48 -1.13 -5.02 118.94 114.21 3hxj s TRP 248 Ca -0.11 -0.31 -0.01 0.00 -1.06 0.00 0.00 56.10 54.61 3hxj s TRP 248 Cb -0.01 0.66 -0.01 0.00 -1.16 0.00 0.00 33.47 32.95 3hxj s TRP 248 CO 0.39 -0.82 0.01 -0.98 -4.06 0.00 0.00 176.95 171.49 3hxj s ARG 249 N -2.66 0.15 -0.18 3.25 1.70 -1.26 -0.92 118.95 119.03 3hxj s ARG 249 Ca 0.17 -0.22 -0.00 0.00 -0.47 0.00 0.00 55.73 55.21 3hxj s ARG 249 Cb -0.01 0.06 0.01 0.00 -0.57 0.00 0.00 34.95 34.43 3hxj s ARG 249 CO 0.03 -0.03 -0.15 0.12 -1.08 0.00 0.00 175.30 174.20 3hxj s PHE 250 N -0.58 2.82 0.10 5.89 5.36 0.14 -4.95 117.98 126.77 3hxj s PHE 250 Ca -0.06 -1.33 -0.24 0.00 -0.96 0.00 0.00 56.93 54.34 3hxj s PHE 250 Cb -0.04 -1.96 -0.07 0.00 -0.34 0.00 0.00 43.02 40.61 3hxj s PHE 250 CO -0.00 -0.67 0.72 0.21 -1.46 0.00 0.00 175.22 174.02 3hxj s LYS 251 N 1.23 4.46 0.21 10.12 2.36 -1.26 -1.21 119.74 135.65 3hxj s LYS 251 Ca 0.03 1.03 0.08 0.00 -2.55 0.00 0.00 55.97 54.55 3hxj s LYS 251 Cb -0.14 -3.29 -0.05 0.00 -1.05 0.00 0.00 37.83 33.30 3hxj s LYS 251 CO -0.07 0.49 -0.15 0.95 1.55 0.00 0.00 175.35 178.12 3hxj s THR 252 N -0.78 1.79 -2.28 3.43 -4.23 -0.11 -4.98 115.64 108.49 3hxj s THR 252 Ca 0.35 -2.21 0.29 0.00 -1.18 0.00 0.00 61.69 58.94 3hxj s THR 252 Cb -0.21 -2.05 0.64 0.00 1.34 0.00 0.00 72.50 72.21 3hxj s THR 252 CO 0.23 -0.57 1.88 0.61 -0.54 0.00 0.00 174.62 176.24 3hxj n GLY 253 N -0.36 -0.37 3.16 3.99 0.00 -1.26 -4.68 105.19 105.67 3hxj n GLY 253 Ca -0.08 -0.36 -0.20 0.00 0.00 0.00 0.00 46.02 45.38 3hxj n GLY 253 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hxj s LYS 254 N -2.05 0.91 0.51 1.61 -0.14 -1.26 -5.04 119.74 114.28 3hxj s LYS 254 Ca 0.40 -0.85 -0.23 0.00 -1.36 0.00 0.00 55.97 53.93 3hxj s LYS 254 Cb 0.21 -0.94 -0.06 0.00 -1.68 0.00 0.00 37.83 35.36 3hxj s LYS 254 CO 0.36 0.22 1.33 2.89 -0.76 0.00 0.00 175.35 179.40 3hxj n ARG 255 N 1.64 1.79 -3.90 1.68 1.85 -1.26 -4.26 116.66 114.19 3hxj n ARG 255 Ca -0.19 0.65 -0.35 0.00 -1.00 0.00 0.00 57.85 56.96 3hxj n ARG 255 Cb 0.54 -2.53 -0.14 0.00 -1.05 0.00 0.00 32.46 29.28 3hxj n ARG 255 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 3hxj s ILE 256 N -1.27 3.39 -1.69 8.89 -1.09 -1.15 -1.94 121.20 126.35 3hxj s ILE 256 Ca 0.68 -0.50 0.14 0.00 -2.23 0.00 0.00 60.65 58.74 3hxj s ILE 256 Cb -0.44 -2.55 0.15 0.00 -1.58 0.00 0.00 42.46 38.04 3hxj s ILE 256 CO 0.52 0.41 1.00 -0.62 -1.23 0.00 0.00 174.94 175.01 3hxj n GLU 257 N 4.80 1.20 -4.43 2.79 1.02 -1.26 -3.50 120.64 121.26 3hxj n GLU 257 Ca -0.18 -1.45 -0.22 0.00 -0.02 0.00 0.00 57.16 55.29 3hxj n GLU 257 Cb 0.51 -1.28 -0.10 0.00 -0.02 0.00 0.00 31.44 30.55 3hxj n GLU 257 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 3hxj s SER 258 N -1.15 3.23 0.69 1.62 1.04 -1.26 -4.85 113.70 113.01 3hxj s SER 258 Ca 0.18 -1.05 -0.13 0.00 0.48 0.00 0.00 55.95 55.44 3hxj s SER 258 Cb 0.12 -0.24 0.01 0.00 0.10 0.00 0.00 66.02 66.01 3hxj s SER 258 CO 0.18 -0.06 1.08 -0.44 0.98 0.00 0.00 173.24 174.98 3hxj s SER 259 N -3.45 5.10 0.52 7.02 0.01 -1.26 -4.73 113.70 116.90 3hxj s SER 259 Ca 0.28 1.84 -0.05 0.00 1.31 0.00 0.00 55.95 59.32 3hxj s SER 259 Cb -0.03 -2.53 -0.02 0.00 0.21 0.00 0.00 66.02 63.66 3hxj s SER 259 CO 0.12 -1.64 0.82 -2.16 0.41 0.00 0.00 173.24 170.80 3hxj s PRO 260 N -4.53 3.29 -0.01 12.44 0.04 -1.26 -4.55 135.00 140.42 3hxj s PRO 260 Ca 0.63 0.08 0.03 0.00 0.04 0.00 0.00 61.00 61.78 3hxj s PRO 260 Cb -0.17 -2.35 -0.01 0.00 0.04 0.00 0.00 34.50 32.01 3hxj s PRO 260 CO 0.48 -0.39 -0.10 0.54 0.04 0.00 0.00 177.00 177.57 3hxj s VAL 261 N -2.82 0.81 -0.30 -0.36 0.11 0.45 -4.74 120.40 113.56 3hxj s VAL 261 Ca 0.50 -0.43 -0.15 0.00 -2.93 0.00 0.00 61.98 58.97 3hxj s VAL 261 Cb -0.10 -0.68 -0.03 0.00 -1.53 0.00 0.00 36.38 34.04 3hxj s VAL 261 CO 0.44 0.23 0.37 -0.63 -3.33 0.00 0.00 175.10 172.18 3hxj s ILE 262 N -0.21 5.17 1.02 7.04 -1.09 -1.26 -0.18 121.20 131.69 3hxj s ILE 262 Ca 0.03 0.38 -0.14 0.00 -2.23 0.00 0.00 60.65 58.69 3hxj s ILE 262 Cb -0.04 -3.74 0.20 0.00 -1.58 0.00 0.00 42.46 37.29 3hxj s ILE 262 CO -0.00 0.06 1.12 -0.83 -1.23 0.00 0.00 174.94 174.06 3hxj s GLY 263 N 1.68 1.58 0.41 6.18 0.00 0.11 -4.90 107.32 112.39 3hxj s GLY 263 Ca 0.14 -0.61 0.28 0.00 0.00 0.00 0.00 44.72 44.53 3hxj s GLY 263 CO 0.11 0.06 1.86 3.43 0.00 0.00 0.00 173.10 178.56 3hxj h ASN 264 N -1.94 0.00 -0.37 1.64 -0.26 -1.87 -2.25 115.58 110.53 3hxj h ASN 264 Ca -0.51 0.00 -0.07 0.00 -0.56 0.00 0.00 56.30 55.16 3hxj h ASN 264 Cb 1.32 0.00 -0.04 0.00 -1.06 0.00 0.00 38.32 38.53 3hxj h ASN 264 CO 0.52 0.00 0.03 0.35 -1.06 0.00 0.00 177.43 177.28 3hxj n THR 265 N -2.51 2.47 -0.90 2.81 -2.24 -1.26 -4.93 114.28 107.72 3hxj n THR 265 Ca -0.01 -2.00 0.00 0.00 -2.27 0.00 0.00 64.05 59.77 3hxj n THR 265 Cb 0.10 -0.29 0.00 0.00 -2.10 0.00 0.00 70.33 68.04 3hxj n THR 265 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3hxj n ASP 266 N -0.55 -1.16 -4.78 3.42 8.00 -0.84 -4.99 116.55 115.65 3hxj n ASP 266 Ca 0.27 0.00 -0.36 0.00 0.71 0.00 0.00 54.79 55.41 3hxj n ASP 266 Cb 1.02 -0.90 -0.02 0.00 -0.02 0.00 0.00 41.12 41.20 3hxj n ASP 266 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3hxj s THR 267 N -2.72 3.31 -0.19 -3.53 2.01 -1.26 -4.31 115.64 108.95 3hxj s THR 267 Ca 0.00 0.95 -0.04 0.00 0.31 0.00 0.00 61.69 62.91 3hxj s THR 267 Cb 0.00 -3.47 -0.02 0.00 0.01 0.00 0.00 72.50 69.02 3hxj s THR 267 CO 0.00 -0.04 -0.02 -0.63 -0.69 0.00 0.00 174.62 173.23 3hxj s ILE 268 N -1.63 3.79 0.07 1.82 1.09 0.15 0.10 121.20 126.58 3hxj s ILE 268 Ca 0.64 -0.37 0.07 0.00 -1.10 0.00 0.00 60.65 59.88 3hxj s ILE 268 Cb -0.25 -2.70 -0.04 0.00 -1.06 0.00 0.00 42.46 38.41 3hxj s ILE 268 CO 0.31 0.45 -0.15 -0.31 -0.10 0.00 0.00 174.94 175.14 3hxj s TYR 269 N 0.92 2.64 0.16 3.97 1.51 0.75 -0.45 117.35 126.84 3hxj s TYR 269 Ca 0.00 -0.21 -0.25 0.00 -1.01 0.00 0.00 57.07 55.61 3hxj s TYR 269 Cb -0.14 -1.44 0.06 0.00 -0.11 0.00 0.00 41.96 40.33 3hxj s TYR 269 CO 0.01 0.35 0.96 -0.59 -1.11 0.00 0.00 175.55 175.17 3hxj s PHE 270 N -1.07 -0.13 -0.04 2.71 -0.12 -0.85 -0.41 117.98 118.07 3hxj s PHE 270 Ca 0.18 -0.19 -0.04 0.00 -0.05 0.00 0.00 56.93 56.83 3hxj s PHE 270 Cb -0.11 0.64 0.01 0.00 -0.63 0.00 0.00 43.02 42.94 3hxj s PHE 270 CO 0.09 -0.84 0.12 0.20 -0.05 0.00 0.00 175.22 174.74 3hxj s GLY 271 N -2.95 -0.07 0.87 1.99 0.00 -1.26 -0.51 107.32 105.39 3hxj s GLY 271 Ca 0.12 0.28 -0.13 0.00 0.00 0.00 0.00 44.72 45.00 3hxj s GLY 271 CO 0.03 0.23 1.17 -1.35 0.00 0.00 0.00 173.10 173.17 3hxj s SER 272 N -0.10 3.91 0.49 1.64 1.04 -0.77 -4.55 113.70 115.37 3hxj s SER 272 Ca -0.02 0.81 0.18 0.00 0.48 0.00 0.00 55.95 57.40 3hxj s SER 272 Cb -0.02 -1.29 1.20 0.00 0.10 0.00 0.00 66.02 66.01 3hxj s SER 272 CO 0.00 -2.28 2.03 0.10 0.98 0.00 0.00 173.24 174.07 3hxj h TYR 273 N -1.32 0.19 0.00 5.02 -0.00 -1.63 -1.67 116.97 117.56 3hxj h TYR 273 Ca -0.48 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.26 3hxj h TYR 273 Cb 1.32 -0.06 0.00 0.00 -0.00 0.00 0.00 36.73 37.99 3hxj h TYR 273 CO 0.13 0.09 0.00 -0.40 -0.00 0.00 0.00 178.16 177.98 3hxj n ASP 274 N -4.45 0.00 0.00 0.10 5.75 -1.26 -1.34 116.55 115.35 3hxj n ASP 274 Ca 0.06 -1.76 0.00 0.00 -0.01 0.00 0.00 54.79 53.08 3hxj n ASP 274 Cb 0.37 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.46 3hxj n ASP 274 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3hxj n GLY 275 N 0.58 0.51 3.56 6.12 0.00 -0.63 -3.98 105.19 111.35 3hxj n GLY 275 Ca 0.05 -0.69 -0.43 0.00 0.00 0.00 0.00 46.02 44.94 3hxj n GLY 275 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3hxj s HIS 276 N -2.00 2.89 0.21 1.61 5.04 -1.25 -2.24 115.29 119.55 3hxj s HIS 276 Ca 0.00 0.38 -0.20 0.00 -1.54 0.00 0.00 55.06 53.70 3hxj s HIS 276 Cb 0.00 -4.04 -0.08 0.00 0.04 0.00 0.00 32.58 28.50 3hxj s HIS 276 CO 0.00 -1.15 0.72 -0.51 -2.34 0.00 0.00 174.74 171.46 3hxj s LEU 277 N 3.87 4.38 0.01 8.88 1.43 0.71 -1.84 118.68 136.12 3hxj s LEU 277 Ca 0.38 1.43 0.02 0.00 -1.03 0.00 0.00 54.13 54.93 3hxj s LEU 277 Cb -0.10 -3.50 -0.01 0.00 0.03 0.00 0.00 46.19 42.61 3hxj s LEU 277 CO 0.26 0.07 -0.07 -0.31 0.23 0.00 0.00 176.35 176.54 3hxj s TYR 278 N -1.45 0.59 -0.18 0.29 2.02 0.33 -0.84 117.35 118.11 3hxj s TYR 278 Ca 0.41 -0.19 0.01 0.00 -0.37 0.00 0.00 57.07 56.93 3hxj s TYR 278 Cb -0.18 -0.37 0.03 0.00 -0.40 0.00 0.00 41.96 41.04 3hxj s TYR 278 CO 0.21 -0.02 -0.13 0.00 -1.57 0.00 0.00 175.55 174.04 3hxj s ALA 279 N -0.40 2.06 -0.07 3.71 0.00 0.18 -2.01 121.76 125.24 3hxj s ALA 279 Ca 0.00 -1.16 0.04 0.00 0.00 0.00 0.00 51.96 50.84 3hxj s ALA 279 Cb -0.04 -1.21 -0.02 0.00 0.00 0.00 0.00 23.12 21.85 3hxj s ALA 279 CO -0.00 -0.62 -0.18 0.42 0.00 0.00 0.00 175.76 175.38 3hxj s ILE 280 N 1.38 2.72 0.54 0.00 -1.09 0.41 0.52 121.20 125.67 3hxj s ILE 280 Ca 0.01 -0.83 -0.16 0.00 -2.23 0.00 0.00 60.65 57.45 3hxj s ILE 280 Cb -0.15 -2.06 -0.07 0.00 -1.58 0.00 0.00 42.46 38.60 3hxj s ILE 280 CO -0.10 0.57 1.01 0.20 -1.23 0.00 0.00 174.94 175.39 3hxj s ASN 281 N -0.27 6.39 0.59 3.58 0.01 0.59 -0.67 114.94 125.16 3hxj s ASN 281 Ca 0.01 1.63 0.29 0.00 -0.71 0.00 0.00 52.86 54.08 3hxj s ASN 281 Cb -0.13 -2.51 1.53 0.00 0.41 0.00 0.00 41.25 40.54 3hxj s ASN 281 CO 0.03 -0.75 1.94 -0.65 -1.51 0.00 0.00 177.10 176.16 3hxj h PRO 282 N 0.74 0.00 -0.00 -0.60 0.11 -1.87 0.22 132.00 130.60 3hxj h PRO 282 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3hxj h PRO 282 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3hxj h PRO 282 CO 0.60 0.00 -0.00 -0.40 -0.21 0.00 0.00 178.00 177.99 3hxj n ASP 283 N -3.69 0.39 0.00 -2.05 5.75 -1.26 -4.89 116.55 110.80 3hxj n ASP 283 Ca 0.06 -1.11 0.00 0.00 -0.01 0.00 0.00 54.79 53.73 3hxj n ASP 283 Cb 0.57 -0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.66 3hxj n ASP 283 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3hxj n GLY 284 N 1.05 0.86 3.83 6.12 0.00 0.79 -5.02 105.19 112.82 3hxj n GLY 284 Ca 0.22 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.91 3hxj n GLY 284 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hxj s THR 285 N -2.39 4.51 0.25 2.61 -4.23 -1.25 -4.79 115.64 110.34 3hxj s THR 285 Ca 0.00 1.28 -0.30 0.00 -1.18 0.00 0.00 61.69 61.49 3hxj s THR 285 Cb 0.00 -3.67 -0.09 0.00 1.34 0.00 0.00 72.50 70.08 3hxj s THR 285 CO 0.00 -0.16 1.18 -0.70 -0.54 0.00 0.00 174.62 174.40 3hxj s GLU 286 N -2.86 4.52 -0.23 3.99 2.12 -1.26 -0.30 118.70 124.69 3hxj s GLU 286 Ca 0.56 1.91 -0.14 0.00 0.36 0.00 0.00 54.97 57.66 3hxj s GLU 286 Cb -0.11 -3.19 -0.17 0.00 0.26 0.00 0.00 34.13 30.91 3hxj s GLU 286 CO 0.17 0.00 -0.02 1.17 -0.54 0.00 0.00 175.26 176.04 3hxj n LYS 287 N 1.73 0.61 -3.64 4.30 4.81 0.18 -4.79 118.16 121.37 3hxj n LYS 287 Ca 0.02 0.37 -0.06 0.00 -0.87 0.00 0.00 58.31 57.77 3hxj n LYS 287 Cb 0.44 -1.63 -0.02 0.00 0.02 0.00 0.00 35.03 33.85 3hxj n LYS 287 CO 0.00 0.00 0.00 1.67 1.17 0.00 0.00 177.40 180.24 3hxj s TRP 288 N -2.46 -0.24 0.02 5.64 1.48 -1.01 -4.80 118.94 117.57 3hxj s TRP 288 Ca -0.32 0.01 -0.06 0.00 -1.06 0.00 0.00 56.10 54.67 3hxj s TRP 288 Cb 0.10 0.60 -0.01 0.00 -1.16 0.00 0.00 33.47 32.99 3hxj s TRP 288 CO 0.58 -0.72 0.11 0.54 -4.06 0.00 0.00 176.95 173.40 3hxj s ASN 289 N -2.74 0.12 -0.18 -2.66 2.20 0.09 -0.64 114.94 111.12 3hxj s ASN 289 Ca 0.09 -0.40 -0.08 0.00 -0.94 0.00 0.00 52.86 51.53 3hxj s ASN 289 Cb -0.01 0.21 0.07 0.00 -2.00 0.00 0.00 41.25 39.52 3hxj s ASN 289 CO -0.03 -0.44 0.40 0.12 -2.94 0.00 0.00 177.10 174.21 3hxj s PHE 290 N -2.06 -0.68 -0.36 1.54 5.36 -0.02 -0.60 117.98 121.17 3hxj s PHE 290 Ca -0.10 1.37 -0.21 0.00 -0.96 0.00 0.00 56.93 57.04 3hxj s PHE 290 Cb -0.04 0.26 0.00 0.00 -0.34 0.00 0.00 43.02 42.91 3hxj s PHE 290 CO -0.02 -0.41 0.67 -1.21 -1.46 0.00 0.00 175.22 172.80 3hxj s GLU 291 N 2.01 3.70 0.12 10.12 2.02 -1.26 -0.21 118.70 135.19 3hxj s GLU 291 Ca -0.05 0.13 0.08 0.00 0.02 0.00 0.00 54.97 55.14 3hxj s GLU 291 Cb -0.10 -3.81 -0.20 0.00 0.10 0.00 0.00 34.13 30.12 3hxj s GLU 291 CO -0.12 -0.76 1.25 1.79 0.02 0.00 0.00 175.26 177.43 3hxj h THR 292 N 5.69 1.63 0.00 3.63 1.35 -1.75 -3.47 112.91 120.00 3hxj h THR 292 Ca -0.26 -3.34 0.00 0.00 -0.55 0.00 0.00 66.41 62.26 3hxj h THR 292 Cb 1.11 2.81 0.00 0.00 -1.73 0.00 0.00 68.15 70.33 3hxj h THR 292 CO 0.86 0.93 0.00 0.61 -0.25 0.00 0.00 175.52 177.67 3hxj n GLY 293 N 1.36 0.69 3.00 5.82 0.00 -1.26 -5.01 105.19 109.78 3hxj n GLY 293 Ca -0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 3hxj n GLY 293 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hxj s SER 294 N -2.32 2.58 0.48 1.61 0.01 -1.26 -5.02 113.70 109.79 3hxj s SER 294 Ca 0.00 -0.45 -0.23 0.00 1.31 0.00 0.00 55.95 56.58 3hxj s SER 294 Cb 0.00 -1.11 -0.08 0.00 0.21 0.00 0.00 66.02 65.04 3hxj s SER 294 CO 0.00 -0.07 1.24 0.79 0.41 0.00 0.00 173.24 175.62 3hxj n TRP 295 N 4.79 1.96 -4.17 2.43 7.02 -1.26 -3.43 117.44 124.78 3hxj n TRP 295 Ca -0.16 0.47 -0.17 0.00 -1.02 0.00 0.00 57.50 56.62 3hxj n TRP 295 Cb 0.50 -2.33 -0.12 0.00 -2.42 0.00 0.00 31.31 26.94 3hxj n TRP 295 CO 0.00 0.00 0.00 0.96 -2.02 0.00 0.00 177.69 176.63 3hxj s ILE 296 N -1.27 1.07 0.00 -0.99 -4.36 -0.45 -1.64 121.20 113.55 3hxj s ILE 296 Ca 0.66 -1.39 0.00 0.00 -0.26 0.00 0.00 60.65 59.66 3hxj s ILE 296 Cb -0.47 -1.13 0.00 0.00 1.25 0.00 0.00 42.46 42.11 3hxj s ILE 296 CO 0.54 -0.31 0.00 0.00 0.24 0.00 0.00 174.94 175.41 3hxj n ILE 297 N 1.09 0.00 -2.62 8.37 0.13 -1.26 -4.55 119.36 120.53 3hxj n ILE 297 Ca -0.20 0.00 -0.34 0.00 -1.10 0.00 0.00 62.75 61.11 3hxj n ILE 297 Cb 0.55 0.00 -0.04 0.00 -0.84 0.00 0.00 39.64 39.31 3hxj n ILE 297 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 3hxj s ALA 298 N -0.40 2.95 0.46 1.51 0.00 -1.26 -4.75 121.76 120.26 3hxj s ALA 298 Ca 0.00 0.57 -0.21 0.00 0.00 0.00 0.00 51.96 52.32 3hxj s ALA 298 Cb 0.00 -3.23 -0.09 0.00 0.00 0.00 0.00 23.12 19.80 3hxj s ALA 298 CO 0.00 -0.18 1.02 -0.08 0.00 0.00 0.00 175.76 176.52 3hxj s THR 299 N -1.98 3.91 0.75 0.00 -1.32 -1.26 -4.75 115.64 110.99 3hxj s THR 299 Ca 0.64 1.24 -0.11 0.00 -1.21 0.00 0.00 61.69 62.26 3hxj s THR 299 Cb -0.15 -3.53 0.04 0.00 -1.51 0.00 0.00 72.50 67.35 3hxj s THR 299 CO 0.19 -0.20 1.08 -2.16 -2.21 0.00 0.00 174.62 171.32 3hxj s PRO 300 N -3.06 2.42 0.14 7.08 0.04 -1.26 -4.75 135.00 135.60 3hxj s PRO 300 Ca 0.64 1.09 0.04 0.00 0.04 0.00 0.00 61.00 62.82 3hxj s PRO 300 Cb -0.16 -1.92 -0.04 0.00 0.04 0.00 0.00 34.50 32.42 3hxj s PRO 300 CO 0.20 -1.51 -0.10 0.14 0.04 0.00 0.00 177.00 175.78 3hxj s VAL 301 N -2.95 1.11 0.05 -0.36 -7.23 -0.86 -4.62 120.40 105.54 3hxj s VAL 301 Ca 0.60 -2.04 0.03 0.00 -1.81 0.00 0.00 61.98 58.76 3hxj s VAL 301 Cb -0.16 -1.82 -0.03 0.00 0.56 0.00 0.00 36.38 34.93 3hxj s VAL 301 CO 0.56 -0.76 -0.10 -0.51 -0.31 0.00 0.00 175.10 173.98 3hxj s ILE 302 N -3.36 0.73 0.56 -0.62 2.07 -0.02 -0.29 121.20 120.26 3hxj s ILE 302 Ca 0.16 -1.13 0.07 0.00 -1.41 0.00 0.00 60.65 58.35 3hxj s ILE 302 Cb 0.03 -0.75 0.06 0.00 0.13 0.00 0.00 42.46 41.92 3hxj s ILE 302 CO -0.00 -0.31 0.58 1.51 -1.91 0.00 0.00 174.94 174.80 3hxj s ASP 303 N -1.58 4.85 0.07 4.50 1.47 -0.36 -1.75 116.67 123.86 3hxj s ASP 303 Ca -0.07 -1.06 0.10 0.00 1.18 0.00 0.00 52.55 52.70 3hxj s ASP 303 Cb -0.10 0.35 0.47 0.00 -0.34 0.00 0.00 42.92 43.30 3hxj s ASP 303 CO 0.01 -1.20 1.32 -0.62 0.68 0.00 0.00 175.17 175.36 3hxj n GLU 304 N -1.97 0.04 -0.07 2.11 -0.58 -1.26 -0.54 120.64 118.36 3hxj n GLU 304 Ca 0.06 0.42 0.12 0.00 -0.42 0.00 0.00 57.16 57.35 3hxj n GLU 304 Cb 0.63 -1.60 0.28 0.00 -0.57 0.00 0.00 31.44 30.18 3hxj n GLU 304 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 3hxj n ASN 305 N -1.68 2.52 0.00 1.62 5.03 -1.26 -4.92 115.26 116.57 3hxj n ASN 305 Ca 0.01 -1.83 0.00 0.00 0.87 0.00 0.00 54.58 53.63 3hxj n ASN 305 Cb 0.09 -0.09 0.00 0.00 -1.02 0.00 0.00 39.78 38.76 3hxj n ASN 305 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3hxj n GLY 306 N 1.31 1.29 3.74 7.41 0.00 0.30 -4.88 105.19 114.35 3hxj n GLY 306 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 3hxj n GLY 306 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hxj s THR 307 N -3.53 2.94 -0.09 2.61 2.01 -1.26 -4.60 115.64 113.72 3hxj s THR 307 Ca 0.00 0.75 -0.02 0.00 0.31 0.00 0.00 61.69 62.73 3hxj s THR 307 Cb 0.00 -3.48 -0.03 0.00 0.01 0.00 0.00 72.50 69.00 3hxj s THR 307 CO 0.00 0.10 -0.02 -0.63 -0.69 0.00 0.00 174.62 173.39 3hxj s ILE 308 N 0.30 4.15 -0.09 1.82 1.01 -0.79 -1.23 121.20 126.38 3hxj s ILE 308 Ca 0.60 -0.30 0.04 0.00 0.00 0.00 0.00 60.65 60.99 3hxj s ILE 308 Cb -0.39 -2.75 0.00 0.00 0.01 0.00 0.00 42.46 39.33 3hxj s ILE 308 CO 0.38 0.59 -0.22 -0.31 0.00 0.00 0.00 174.94 175.38 3hxj s TYR 309 N -0.70 2.32 -0.30 3.97 1.51 0.60 -0.41 117.35 124.34 3hxj s TYR 309 Ca 0.11 -0.90 -0.02 0.00 -1.01 0.00 0.00 57.07 55.25 3hxj s TYR 309 Cb -0.12 -1.56 0.05 0.00 -0.11 0.00 0.00 41.96 40.22 3hxj s TYR 309 CO 0.02 -0.36 0.01 -0.06 -1.11 0.00 0.00 175.55 174.05 3hxj s PHE 310 N 0.32 3.26 0.17 2.71 0.40 0.31 -2.02 117.98 123.13 3hxj s PHE 310 Ca -0.16 -1.83 -0.26 0.00 -0.60 0.00 0.00 56.93 54.09 3hxj s PHE 310 Cb -0.17 -2.12 -0.08 0.00 0.51 0.00 0.00 43.02 41.16 3hxj s PHE 310 CO 0.07 -0.80 0.79 0.20 0.70 0.00 0.00 175.22 176.19 3hxj s GLY 311 N 1.27 2.94 0.30 4.36 0.00 -1.26 -0.83 107.32 114.10 3hxj s GLY 311 Ca -0.05 0.39 0.07 0.00 0.00 0.00 0.00 44.72 45.13 3hxj s GLY 311 CO -0.01 0.91 0.33 -0.51 0.00 0.00 0.00 173.10 173.82 3hxj s THR 312 N -1.14 4.26 0.30 0.90 -4.23 0.16 -4.46 115.64 111.42 3hxj s THR 312 Ca 0.36 -1.20 0.03 0.00 -1.18 0.00 0.00 61.69 59.71 3hxj s THR 312 Cb -0.23 -3.44 0.11 0.00 1.34 0.00 0.00 72.50 70.28 3hxj s THR 312 CO 0.27 -0.24 1.79 0.03 -0.54 0.00 0.00 174.62 175.92 3hxj h ARG 313 N 1.19 0.52 -0.87 3.99 3.08 -1.62 -3.03 114.38 117.64 3hxj h ARG 313 Ca -0.47 -0.15 0.00 0.00 0.07 0.00 0.00 59.98 59.42 3hxj h ARG 313 Cb 1.25 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.24 3hxj h ARG 313 CO 0.58 0.65 0.00 0.27 -1.07 0.00 0.00 179.97 180.39 3hxj n ASN 314 N -4.19 1.48 0.00 7.04 0.23 -1.26 -4.88 115.26 113.68 3hxj n ASN 314 Ca 0.01 -2.10 0.00 0.00 -0.53 0.00 0.00 54.58 51.95 3hxj n ASN 314 Cb 0.33 -0.48 0.00 0.00 -2.08 0.00 0.00 39.78 37.55 3hxj n ASN 314 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3hxj n GLY 315 N 0.13 2.53 3.98 4.83 0.00 -1.15 -5.06 105.19 110.46 3hxj n GLY 315 Ca 0.03 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.80 3hxj n GLY 315 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hxj s LYS 316 N -0.65 1.29 -0.06 1.61 1.02 -1.26 -4.71 119.74 116.99 3hxj s LYS 316 Ca 0.00 -1.04 -0.22 0.00 0.02 0.00 0.00 55.97 54.73 3hxj s LYS 316 Cb 0.00 -2.21 0.05 0.00 -0.52 0.00 0.00 37.83 35.15 3hxj s LYS 316 CO 0.00 -1.78 0.49 -0.59 -0.92 0.00 0.00 175.35 172.55 3hxj s PHE 317 N -3.36 -0.43 -0.13 3.18 -0.12 -0.86 -0.66 117.98 115.60 3hxj s PHE 317 Ca 0.70 0.77 -0.01 0.00 -0.05 0.00 0.00 56.93 58.34 3hxj s PHE 317 Cb -0.04 0.23 -0.02 0.00 -0.63 0.00 0.00 43.02 42.57 3hxj s PHE 317 CO 0.47 -0.46 -0.11 0.71 -0.05 0.00 0.00 175.22 175.79 3hxj s TYR 318 N -1.03 2.87 -0.13 3.49 1.51 -0.01 -0.91 117.35 123.14 3hxj s TYR 318 Ca -0.11 -0.54 -0.02 0.00 -1.01 0.00 0.00 57.07 55.40 3hxj s TYR 318 Cb -0.03 -1.87 -0.02 0.00 -0.11 0.00 0.00 41.96 39.93 3hxj s TYR 318 CO 0.06 -0.15 -0.07 0.00 -1.11 0.00 0.00 175.55 174.28 3hxj s ALA 319 N 0.32 2.88 -0.19 3.71 0.00 -0.15 -0.53 121.76 127.80 3hxj s ALA 319 Ca -0.09 -0.85 -0.03 0.00 0.00 0.00 0.00 51.96 50.99 3hxj s ALA 319 Cb -0.15 -1.39 -0.01 0.00 0.00 0.00 0.00 23.12 21.57 3hxj s ALA 319 CO 0.05 0.30 -0.05 -0.51 0.00 0.00 0.00 175.76 175.55 3hxj s LEU 320 N 0.12 2.97 0.20 0.00 1.02 0.46 -0.67 118.68 122.78 3hxj s LEU 320 Ca -0.03 -0.31 0.07 0.00 0.02 0.00 0.00 54.13 53.88 3hxj s LEU 320 Cb -0.14 -1.74 -0.04 0.00 0.02 0.00 0.00 46.19 44.29 3hxj s LEU 320 CO 0.03 0.06 0.07 -0.36 0.02 0.00 0.00 176.35 176.17 3hxj s PHE 321 N 1.03 2.95 0.00 0.29 0.40 0.11 -1.88 117.98 120.89 3hxj s PHE 321 Ca 0.01 -0.11 0.00 0.00 -0.60 0.00 0.00 56.93 56.22 3hxj s PHE 321 Cb -0.15 -1.39 0.00 0.00 0.51 0.00 0.00 43.02 41.99 3hxj s PHE 321 CO 0.00 0.53 0.20 0.27 0.70 0.00 0.00 175.22 176.93