#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 -1.00 -0.29 2.13 7.02 -1.26 -4.84 117.44 119.20 3hxj n TRP 13 Ca 0.00 0.00 0.13 0.00 -1.02 0.00 0.00 57.50 56.61 3hxj n TRP 13 Cb 0.00 -3.91 0.38 0.00 -2.42 0.00 0.00 31.31 25.36 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 0.00 0.66 0.00 -0.99 5.08 -1.92 0.33 114.58 117.74 3hxj h GLU 14 Ca -0.49 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 57.82 3hxj h GLU 14 Cb 1.36 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 30.46 3hxj h GLU 14 CO 0.58 0.43 -0.06 0.27 -1.00 0.00 0.00 179.01 179.23 3hxj h PHE 15 N 0.68 0.00 0.00 4.33 -5.15 -1.96 -3.23 116.94 111.61 3hxj h PHE 15 Ca 0.48 0.00 -0.46 0.00 -0.20 0.00 0.00 57.97 57.79 3hxj h PHE 15 Cb 0.82 0.00 -0.07 0.00 0.22 0.00 0.00 35.95 36.92 3hxj h PHE 15 CO -0.00 0.06 -2.53 -0.11 -2.00 0.00 0.00 178.31 173.73 3hxj n LEU 16 N -3.60 1.97 0.00 2.10 0.00 0.78 -5.25 117.00 113.01 3hxj n LEU 16 Ca -0.02 0.32 0.00 0.00 0.00 0.00 0.00 56.01 56.30 3hxj n LEU 16 Cb 0.17 -0.81 0.00 0.00 0.00 0.00 0.00 43.42 42.78 3hxj n LEU 16 CO 0.28 0.58 0.00 -0.38 0.00 0.00 0.00 177.39 177.87 3hxj n ILE 17 N -4.19 0.00 -0.35 1.96 5.41 0.82 -5.16 119.36 117.85 3hxj n ILE 17 Ca -0.54 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.21 3hxj n ILE 17 Cb 0.89 -0.22 0.00 0.00 -0.71 0.00 0.00 39.64 39.60 3hxj n ILE 17 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 3hxj n PRO 25 N -0.02 0.00 -4.42 0.38 -0.04 -1.25 -4.92 135.00 124.72 3hxj n PRO 25 Ca 0.00 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.12 3hxj n PRO 25 Cb 0.00 -0.18 -0.10 0.00 -0.04 0.00 0.00 33.50 33.18 3hxj n PRO 25 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 3hxj s ILE 26 N -1.18 4.14 -0.75 0.52 1.10 -0.77 -4.95 121.20 119.31 3hxj s ILE 26 Ca 0.00 -0.30 -0.16 0.00 -0.51 0.00 0.00 60.65 59.67 3hxj s ILE 26 Cb 0.00 -2.75 0.17 0.00 0.15 0.00 0.00 42.46 40.03 3hxj s ILE 26 CO 0.00 0.58 0.77 -0.76 -2.11 0.00 0.00 174.94 173.42 3hxj s LEU 27 N -0.65 6.11 0.81 8.50 2.01 -1.26 -1.15 118.68 133.06 3hxj s LEU 27 Ca 0.10 -2.17 -0.14 0.00 0.01 0.00 0.00 54.13 51.93 3hxj s LEU 27 Cb -0.12 -2.26 0.02 0.00 0.01 0.00 0.00 46.19 43.84 3hxj s LEU 27 CO 0.02 -0.81 0.70 0.00 1.01 0.00 0.00 176.35 177.27 3hxj n ALA 28 N 5.09 -1.37 0.21 4.21 0.00 0.37 -4.89 120.51 124.13 3hxj n ALA 28 Ca 0.06 -0.37 0.07 0.00 0.00 0.00 0.00 53.44 53.19 3hxj n ALA 28 Cb 0.45 -1.96 0.44 0.00 0.00 0.00 0.00 19.45 18.38 3hxj n ALA 28 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 3hxj h LYS 29 N -0.88 0.00 0.00 0.00 2.10 -1.88 -2.58 116.57 113.34 3hxj h LYS 29 Ca -0.45 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.20 3hxj h LYS 29 Cb 1.31 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.64 3hxj h LYS 29 CO 0.41 0.31 0.00 0.27 -2.00 0.00 0.00 179.45 178.44 3hxj n ASN 30 N -3.71 0.42 0.00 7.07 0.23 -1.26 -0.47 115.26 117.55 3hxj n ASN 30 Ca -0.01 0.58 0.00 0.00 -0.53 0.00 0.00 54.58 54.62 3hxj n ASN 30 Cb 0.41 -0.68 0.00 0.00 -2.08 0.00 0.00 39.78 37.43 3hxj n ASN 30 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3hxj n GLY 31 N 0.45 2.23 3.84 4.83 0.00 -0.97 0.39 105.19 115.97 3hxj n GLY 31 Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 3hxj n GLY 31 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3hxj s THR 32 N -2.17 4.55 -0.21 2.61 -1.32 -1.26 -4.83 115.64 113.02 3hxj s THR 32 Ca 0.00 1.18 -0.02 0.00 -1.21 0.00 0.00 61.69 61.64 3hxj s THR 32 Cb 0.00 -3.70 0.01 0.00 -1.51 0.00 0.00 72.50 67.30 3hxj s THR 32 CO 0.00 -0.60 -0.11 -0.63 -2.21 0.00 0.00 174.62 171.08 3hxj s ILE 33 N -2.50 2.77 0.07 5.08 -1.09 -1.26 -0.48 121.20 123.79 3hxj s ILE 33 Ca 0.58 -0.75 -0.08 0.00 -2.23 0.00 0.00 60.65 58.17 3hxj s ILE 33 Cb -0.10 -2.25 -0.06 0.00 -1.58 0.00 0.00 42.46 38.48 3hxj s ILE 33 CO 0.28 0.44 0.37 -0.31 -1.23 0.00 0.00 174.94 174.49 3hxj s TYR 34 N 1.38 3.56 0.00 3.97 1.51 -0.30 -1.22 117.35 126.26 3hxj s TYR 34 Ca 0.05 0.70 0.00 0.00 -1.01 0.00 0.00 57.07 56.81 3hxj s TYR 34 Cb -0.14 -2.10 0.00 0.00 -0.11 0.00 0.00 41.96 39.61 3hxj s TYR 34 CO -0.07 0.52 0.00 1.28 -1.11 0.00 0.00 175.55 176.17 3hxj n LEU 35 N 0.81 0.00 0.00 -1.29 4.77 -0.42 -1.85 117.00 119.02 3hxj n LEU 35 Ca -0.08 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.90 3hxj n LEU 35 Cb 0.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 3hxj n LEU 35 CO 0.43 0.00 0.00 -1.54 -1.33 0.00 0.00 177.39 174.95 3hxj n SER 38 N 0.00 0.00 0.00 -1.43 3.41 -1.26 -3.90 113.62 110.44 3hxj n SER 38 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3hxj n SER 38 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 3hxj n SER 38 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3hxj n ASN 39 N 0.00 0.00 0.10 4.04 6.94 -1.26 -4.84 115.26 120.24 3hxj n ASN 39 Ca 0.00 -1.00 0.11 0.00 -0.02 0.00 0.00 54.58 53.67 3hxj n ASN 39 Cb 0.00 0.00 0.59 0.00 -2.36 0.00 0.00 39.78 38.01 3hxj n ASN 39 CO 0.00 0.00 0.00 0.07 -1.03 0.00 0.00 177.26 176.30 3hxj h LYS 40 N 0.00 0.15 -0.29 -3.83 2.10 -1.98 0.93 116.57 113.64 3hxj h LYS 40 Ca 0.00 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.64 3hxj h LYS 40 Cb 0.65 -0.03 0.00 0.00 -0.90 0.00 0.00 32.23 31.95 3hxj h LYS 40 CO 0.00 0.10 0.00 0.09 -2.00 0.00 0.00 179.45 177.64 3hxj n ASN 41 N -4.48 1.96 -0.04 7.07 5.03 -1.26 -4.36 115.26 119.18 3hxj n ASN 41 Ca 0.03 -1.87 -0.09 0.00 0.87 0.00 0.00 54.58 53.52 3hxj n ASN 41 Cb 0.25 -0.19 -0.03 0.00 -1.02 0.00 0.00 39.78 38.79 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 0.54 1.07 0.00 3.41 7.99 0.26 -4.84 117.00 125.43 3hxj n LEU 42 Ca 0.15 0.17 0.00 0.00 -0.01 0.00 0.00 56.01 56.32 3hxj n LEU 42 Cb 0.34 -0.41 0.00 0.00 -0.11 0.00 0.00 43.42 43.25 3hxj n LEU 42 CO 0.11 -0.09 0.00 0.00 -1.51 0.00 0.00 177.39 175.90 3hxj n TYR 43 N -3.67 -0.57 -3.61 -1.77 4.11 -0.83 -1.58 117.16 109.25 3hxj n TYR 43 Ca -0.16 0.00 -0.15 0.00 -0.00 0.00 0.00 57.90 57.60 3hxj n TYR 43 Cb 0.47 0.00 -0.07 0.00 -0.00 0.00 0.00 39.34 39.75 3hxj n TYR 43 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 3hxj s ALA 44 N -1.23 -1.77 -0.11 -3.48 0.00 -0.31 -4.61 121.76 110.24 3hxj s ALA 44 Ca 0.00 1.85 -0.22 0.00 0.00 0.00 0.00 51.96 53.59 3hxj s ALA 44 Cb 0.00 -0.90 -0.03 0.00 0.00 0.00 0.00 23.12 22.19 3hxj s ALA 44 CO 0.00 -0.35 0.67 -1.50 0.00 0.00 0.00 175.76 174.58 3hxj s ILE 45 N 0.01 5.04 0.50 0.00 -1.16 -1.26 0.46 121.20 124.79 3hxj s ILE 45 Ca -0.03 1.34 -0.17 0.00 -0.51 0.00 0.00 60.65 61.28 3hxj s ILE 45 Cb -0.04 -4.00 -0.08 0.00 0.61 0.00 0.00 42.46 38.95 3hxj s ILE 45 CO 0.03 0.21 0.98 0.20 -2.81 0.00 0.00 174.94 173.55 3hxj s ASN 46 N 0.90 6.67 0.13 4.50 0.01 0.23 -4.92 114.94 122.46 3hxj s ASN 46 Ca 0.34 1.59 -0.33 0.00 -0.71 0.00 0.00 52.86 53.75 3hxj s ASN 46 Cb -0.17 -2.51 -0.11 0.00 0.41 0.00 0.00 41.25 38.87 3hxj s ASN 46 CO 0.15 -0.55 1.55 0.71 -1.51 0.00 0.00 177.10 177.44 3hxj h THR 47 N 1.09 0.00 0.00 1.60 1.35 -1.97 0.19 112.91 115.17 3hxj h THR 47 Ca -0.47 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.39 3hxj h THR 47 Cb 1.18 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.61 3hxj h THR 47 CO 0.61 0.00 0.07 -2.24 -0.25 0.00 0.00 175.52 173.71 3hxj h ASP 48 N -0.45 0.00 0.00 5.36 -0.00 -2.05 -3.44 116.42 115.84 3hxj h ASP 48 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.09 3hxj h ASP 48 Cb 0.62 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.95 3hxj h ASP 48 CO -0.56 0.00 0.00 0.61 -0.00 0.00 0.00 179.24 179.29 3hxj n GLY 49 N -1.25 1.60 3.43 7.15 0.00 0.68 -5.12 105.19 111.68 3hxj n GLY 49 Ca -0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 3hxj n GLY 49 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3hxj s SER 50 N -2.00 -0.33 -0.06 1.61 0.15 -1.24 -4.58 113.70 107.24 3hxj s SER 50 Ca 0.00 0.65 0.02 0.00 0.70 0.00 0.00 55.95 57.32 3hxj s SER 50 Cb 0.00 -0.88 0.02 0.00 -1.71 0.00 0.00 66.02 63.44 3hxj s SER 50 CO 0.00 -4.89 -0.11 0.54 1.20 0.00 0.00 173.24 169.98 3hxj s VAL 51 N -2.64 1.01 -0.30 4.45 0.11 -1.26 0.75 120.40 122.52 3hxj s VAL 51 Ca 0.70 -0.40 -0.11 0.00 -2.93 0.00 0.00 61.98 59.24 3hxj s VAL 51 Cb -0.10 -0.94 -0.04 0.00 -1.53 0.00 0.00 36.38 33.78 3hxj s VAL 51 CO 0.56 0.33 0.19 -0.75 -3.33 0.00 0.00 175.10 172.10 3hxj s LYS 52 N 0.73 3.76 0.21 1.54 2.36 0.17 -4.92 119.74 123.59 3hxj s LYS 52 Ca -0.14 -0.45 -0.09 0.00 -2.55 0.00 0.00 55.97 52.75 3hxj s LYS 52 Cb -0.15 -3.67 -0.07 0.00 -1.05 0.00 0.00 37.83 32.89 3hxj s LYS 52 CO 0.03 -0.27 0.51 -1.58 1.55 0.00 0.00 175.35 175.59 3hxj s TRP 53 N 1.73 3.44 -0.68 4.03 0.52 -1.26 -1.16 118.94 125.56 3hxj s TRP 53 Ca 0.07 0.81 0.00 0.00 0.02 0.00 0.00 56.10 57.00 3hxj s TRP 53 Cb -0.16 -2.21 0.39 0.00 -1.15 0.00 0.00 33.47 30.34 3hxj s TRP 53 CO 0.10 0.31 1.75 1.19 0.02 0.00 0.00 176.95 180.32 3hxj n PHE 54 N -0.05 3.11 0.00 -1.98 0.99 -0.62 -4.98 117.46 113.94 3hxj n PHE 54 Ca -0.00 -2.62 0.00 0.00 -0.00 0.00 0.00 57.45 54.82 3hxj n PHE 54 Cb 0.52 -0.91 0.00 0.00 -1.00 0.00 0.00 39.48 38.10 3hxj n PHE 54 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.76 177.95 3hxj n PHE 55 N -0.60 0.00 0.00 1.38 3.01 -1.26 -4.96 117.46 115.03 3hxj n PHE 55 Ca 0.51 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.97 3hxj n PHE 55 Cb 0.46 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.93 3hxj n PHE 55 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 3hxj n SER 57 N -0.23 0.00 0.00 4.37 3.41 -1.26 -4.59 113.62 115.32 3hxj n SER 57 Ca 0.00 0.00 0.11 0.00 -0.26 0.00 0.00 58.87 58.72 3hxj n SER 57 Cb 0.00 0.00 0.67 0.00 -0.26 0.00 0.00 64.21 64.62 3hxj n SER 57 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hxj n GLY 58 N 3.04 -0.97 0.08 5.00 0.00 -1.26 -2.91 105.19 108.16 3hxj n GLY 58 Ca 0.00 -0.14 0.06 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.86 0.63 -3.76 1.61 1.02 -1.26 -4.83 120.64 113.19 3hxj n GLU 59 Ca 0.17 0.04 -0.36 0.00 -0.02 0.00 0.00 57.16 56.98 3hxj n GLU 59 Cb 0.08 -1.70 -0.10 0.00 -0.02 0.00 0.00 31.44 29.70 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 -3.21 4.97 -0.04 -3.67 1.09 -1.15 -1.79 121.20 117.41 3hxj s ILE 60 Ca -0.04 0.04 -0.01 0.00 -1.10 0.00 0.00 60.65 59.54 3hxj s ILE 60 Cb 0.10 -3.31 0.03 0.00 -1.06 0.00 0.00 42.46 38.22 3hxj s ILE 60 CO 0.84 0.36 0.04 -0.63 -0.10 0.00 0.00 174.94 175.45 3hxj s ILE 61 N 1.13 -0.04 0.35 2.92 1.01 -0.56 -4.92 121.20 121.09 3hxj s ILE 61 Ca 0.06 0.32 -0.26 0.00 0.00 0.00 0.00 60.65 60.77 3hxj s ILE 61 Cb -0.14 -0.16 -0.09 0.00 0.01 0.00 0.00 42.46 42.07 3hxj s ILE 61 CO 0.04 0.16 1.03 -0.70 0.00 0.00 0.00 174.94 175.47 3hxj s GLU 62 N 1.74 4.39 0.11 2.79 2.12 -1.26 0.15 118.70 128.74 3hxj s GLU 62 Ca -0.00 1.54 0.07 0.00 0.36 0.00 0.00 54.97 56.93 3hxj s GLU 62 Cb -0.12 -2.78 -0.04 0.00 0.26 0.00 0.00 34.13 31.45 3hxj s GLU 62 CO -0.03 0.06 -0.08 0.00 -0.54 0.00 0.00 175.26 174.67 3hxj s ARG 64 N -2.27 2.22 0.94 0.00 6.06 -1.26 -4.34 118.95 120.30 3hxj s ARG 64 Ca 0.22 -1.59 -0.10 0.00 -2.50 0.00 0.00 55.73 51.76 3hxj s ARG 64 Cb -0.11 -3.49 0.15 0.00 0.06 0.00 0.00 34.95 31.56 3hxj s ARG 64 CO 0.15 -0.91 1.09 -2.30 -2.50 0.00 0.00 175.30 170.82 3hxj n PRO 65 N 4.65 -0.57 -4.26 5.12 -0.02 -1.26 -4.81 135.00 133.85 3hxj n PRO 65 Ca -0.07 -0.10 -0.29 0.00 -2.02 0.00 0.00 63.50 61.02 3hxj n PRO 65 Cb 0.42 -2.33 -0.03 0.00 -0.02 0.00 0.00 33.50 31.54 3hxj n PRO 65 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 3hxj s SER 66 N -2.58 4.42 -0.20 2.55 0.01 0.20 -0.27 113.70 117.83 3hxj s SER 66 Ca 0.66 -1.43 -0.04 0.00 1.31 0.00 0.00 55.95 56.46 3hxj s SER 66 Cb -0.23 0.50 0.07 0.00 0.21 0.00 0.00 66.02 66.57 3hxj s SER 66 CO 0.59 -1.02 0.07 -0.63 0.41 0.00 0.00 173.24 172.66 3hxj s ILE 67 N -2.83 0.29 0.00 1.44 1.01 0.04 -0.93 121.20 120.23 3hxj s ILE 67 Ca 0.21 -0.49 0.00 0.00 0.00 0.00 0.00 60.65 60.37 3hxj s ILE 67 Cb -0.01 -0.91 0.00 0.00 0.01 0.00 0.00 42.46 41.55 3hxj s ILE 67 CO 0.13 -0.31 0.00 0.61 0.00 0.00 0.00 174.94 175.37 3hxj n GLY 68 N 5.13 -0.10 0.00 6.18 0.00 -1.26 -4.10 105.19 111.03 3hxj n GLY 68 Ca -0.08 -1.19 0.00 0.00 0.00 0.00 0.00 46.02 44.76 3hxj n GLY 68 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3hxj n LYS 69 N 2.97 4.10 0.17 1.61 4.81 -1.26 -4.82 118.16 125.75 3hxj n LYS 69 Ca 0.00 0.00 -0.14 0.00 -0.87 0.00 0.00 58.31 57.30 3hxj n LYS 69 Cb 0.00 -0.43 -0.07 0.00 0.02 0.00 0.00 35.03 34.55 3hxj n LYS 69 CO 0.00 0.00 0.00 0.38 1.17 0.00 0.00 177.40 178.95 3hxj h ASP 70 N 0.00 -0.52 0.00 3.14 2.03 -2.04 -3.46 116.42 115.56 3hxj h ASP 70 Ca 0.00 0.04 0.00 0.00 -0.73 0.00 0.00 57.03 56.34 3hxj h ASP 70 Cb 0.00 0.17 0.00 0.00 -0.83 0.00 0.00 39.33 38.67 3hxj h ASP 70 CO 0.00 -0.31 0.00 0.61 -1.03 0.00 0.00 179.24 178.51 3hxj n GLY 71 N -1.33 0.12 3.61 7.15 0.00 -1.26 -5.13 105.19 108.35 3hxj n GLY 71 Ca -0.09 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.44 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 0.00 0.43 -3.51 2.61 -1.04 -1.26 -4.85 114.28 106.65 3hxj n THR 72 Ca 0.00 -0.11 -0.34 0.00 -2.04 0.00 0.00 64.05 61.57 3hxj n THR 72 Cb 0.00 -1.05 -0.05 0.00 -1.82 0.00 0.00 70.33 67.40 3hxj n THR 72 CO 0.00 0.00 0.00 -0.51 -0.64 0.00 0.00 175.07 173.92 3hxj s ILE 73 N 0.26 5.02 -0.15 12.58 1.10 -1.26 -0.78 121.20 137.98 3hxj s ILE 73 Ca 0.77 0.46 -0.11 0.00 -0.51 0.00 0.00 60.65 61.27 3hxj s ILE 73 Cb -0.83 -3.65 -0.05 0.00 0.15 0.00 0.00 42.46 38.08 3hxj s ILE 73 CO 0.47 0.17 0.21 -0.47 -2.11 0.00 0.00 174.94 173.20 3hxj s TYR 74 N -1.54 3.50 -0.39 3.50 5.04 0.63 -4.77 117.35 123.32 3hxj s TYR 74 Ca 0.38 0.52 0.11 0.00 -2.44 0.00 0.00 57.07 55.64 3hxj s TYR 74 Cb -0.13 -2.17 0.35 0.00 0.35 0.00 0.00 41.96 40.36 3hxj s TYR 74 CO 0.20 0.42 0.89 1.97 -1.34 0.00 0.00 175.55 177.68 3hxj n PHE 75 N 3.01 -0.72 -2.14 4.97 -0.00 -1.26 -4.45 117.46 116.87 3hxj n PHE 75 Ca -0.16 -3.17 0.00 0.00 -0.00 0.00 0.00 57.45 54.13 3hxj n PHE 75 Cb 0.53 0.26 0.00 0.00 -0.00 0.00 0.00 39.48 40.26 3hxj n PHE 75 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3hxj n GLY 76 N 0.23 2.13 0.23 4.97 0.00 -1.26 -5.00 105.19 106.50 3hxj n GLY 76 Ca 0.17 -2.05 0.10 0.00 0.00 0.00 0.00 46.02 44.24 3hxj n GLY 76 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3hxj h SER 77 N 0.00 0.00 -3.60 1.61 4.64 -1.97 -3.44 113.55 110.79 3hxj h SER 77 Ca 0.00 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.80 3hxj h SER 77 Cb 0.00 0.00 0.05 0.00 -0.31 0.00 0.00 62.40 62.14 3hxj h SER 77 CO 0.00 0.21 0.65 -1.81 -0.87 0.00 0.00 176.83 175.02 3hxj s ASP 78 N -6.20 6.83 -0.03 4.97 1.11 -1.26 -4.74 116.67 117.36 3hxj s ASP 78 Ca -0.00 2.55 0.02 0.00 0.18 0.00 0.00 52.55 55.30 3hxj s ASP 78 Cb 0.11 -2.63 0.01 0.00 1.07 0.00 0.00 42.92 41.48 3hxj s ASP 78 CO 0.63 -0.53 -0.09 -0.54 1.18 0.00 0.00 175.17 175.82 3hxj s LYS 79 N -0.88 1.02 -0.10 8.23 1.02 -0.63 -4.95 119.74 123.44 3hxj s LYS 79 Ca 0.53 -0.30 0.04 0.00 0.02 0.00 0.00 55.97 56.26 3hxj s LYS 79 Cb -0.38 -0.94 0.00 0.00 -0.52 0.00 0.00 37.83 35.99 3hxj s LYS 79 CO 0.45 0.09 -0.21 0.14 -0.92 0.00 0.00 175.35 174.89 3hxj s VAL 80 N 0.30 1.88 -0.05 3.17 -7.23 -1.26 -0.02 120.40 117.19 3hxj s VAL 80 Ca -0.05 -0.91 0.06 0.00 -1.81 0.00 0.00 61.98 59.27 3hxj s VAL 80 Cb -0.10 -1.64 -0.01 0.00 0.56 0.00 0.00 36.38 35.19 3hxj s VAL 80 CO 0.01 0.52 -0.24 -0.31 -0.31 0.00 0.00 175.10 174.77 3hxj s TYR 81 N 0.45 2.31 -0.17 2.82 1.51 -0.14 -0.73 117.35 123.40 3hxj s TYR 81 Ca -0.17 -0.65 -0.16 0.00 -1.01 0.00 0.00 57.07 55.09 3hxj s TYR 81 Cb -0.17 -1.51 -0.04 0.00 -0.11 0.00 0.00 41.96 40.12 3hxj s TYR 81 CO 0.07 -0.18 0.39 0.00 -1.11 0.00 0.00 175.55 174.72 3hxj s ALA 82 N -0.21 3.55 -0.16 3.71 0.00 0.12 -0.92 121.76 127.86 3hxj s ALA 82 Ca -0.01 -0.43 0.01 0.00 0.00 0.00 0.00 51.96 51.53 3hxj s ALA 82 Cb -0.13 -2.57 0.02 0.00 0.00 0.00 0.00 23.12 20.44 3hxj s ALA 82 CO 0.03 -0.13 -0.19 0.42 0.00 0.00 0.00 175.76 175.89 3hxj s ILE 83 N 0.94 1.91 -0.67 0.00 1.01 0.21 -1.49 121.20 123.11 3hxj s ILE 83 Ca 0.20 -0.86 0.05 0.00 0.00 0.00 0.00 60.65 60.04 3hxj s ILE 83 Cb -0.14 -1.73 0.17 0.00 0.01 0.00 0.00 42.46 40.76 3hxj s ILE 83 CO 0.07 0.52 0.46 0.21 0.00 0.00 0.00 174.94 176.20 3hxj s ASN 84 N 1.19 4.59 0.64 3.58 3.84 -0.74 -0.61 114.94 127.42 3hxj s ASN 84 Ca 0.01 -3.73 -0.16 0.00 0.21 0.00 0.00 52.86 49.20 3hxj s ASN 84 Cb -0.14 -1.56 -0.01 0.00 -0.55 0.00 0.00 41.25 38.99 3hxj s ASN 84 CO -0.09 -0.10 1.12 -2.16 -2.79 0.00 0.00 177.10 173.07 3hxj s PRO 85 N -1.25 2.91 0.58 0.43 0.04 -1.26 -4.74 135.00 131.70 3hxj s PRO 85 Ca 0.24 1.44 -0.11 0.00 0.04 0.00 0.00 61.00 62.61 3hxj s PRO 85 Cb -0.06 -1.96 -0.05 0.00 0.04 0.00 0.00 34.50 32.47 3hxj s PRO 85 CO -0.15 -1.18 0.99 0.34 0.04 0.00 0.00 177.00 177.04 3hxj s ASP 86 N -2.40 6.32 0.31 6.66 -1.08 -1.26 -4.85 116.67 120.37 3hxj s ASP 86 Ca 0.68 1.39 0.08 0.00 -0.52 0.00 0.00 52.55 54.18 3hxj s ASP 86 Cb -0.21 -2.45 0.83 0.00 -1.46 0.00 0.00 42.92 39.63 3hxj s ASP 86 CO 0.38 -0.77 1.74 1.23 0.52 0.00 0.00 175.17 178.27 3hxj h GLY 87 N 0.03 1.85 0.06 2.66 0.00 -2.02 0.35 103.07 106.00 3hxj h GLY 87 Ca -0.45 -0.31 0.00 0.00 0.00 0.00 0.00 47.33 46.57 3hxj h GLY 87 CO 0.62 -0.20 0.00 -0.37 0.00 0.00 0.00 176.54 176.59 3hxj n THR 88 N -4.87 0.03 0.03 4.70 5.66 -1.26 -3.25 114.28 115.33 3hxj n THR 88 Ca 0.26 -0.04 0.01 0.00 -3.05 0.00 0.00 64.05 61.23 3hxj n THR 88 Cb 0.69 -0.05 -0.02 0.00 -1.55 0.00 0.00 70.33 69.39 3hxj n THR 88 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 3hxj n GLU 89 N -0.49 1.53 -0.31 1.09 1.02 0.12 -4.69 120.64 118.91 3hxj n GLU 89 Ca 0.05 -0.02 0.35 0.00 -0.02 0.00 0.00 57.16 57.52 3hxj n GLU 89 Cb 0.04 -0.96 0.75 0.00 -0.02 0.00 0.00 31.44 31.25 3hxj n GLU 89 CO 0.00 0.00 0.00 1.57 1.18 0.00 0.00 177.13 179.88 3hxj h LYS 90 N 0.00 0.00 -0.45 3.49 5.09 -1.42 0.01 116.57 123.29 3hxj h LYS 90 Ca 0.00 0.00 0.13 0.00 0.09 0.00 0.00 60.65 60.87 3hxj h LYS 90 Cb 0.12 0.00 -0.02 0.00 0.10 0.00 0.00 32.23 32.43 3hxj h LYS 90 CO 0.00 0.00 0.33 0.11 -2.09 0.00 0.00 179.45 177.80 3hxj h TRP 91 N 0.00 0.00 -0.01 0.07 5.08 -1.84 -0.52 115.95 118.73 3hxj h TRP 91 Ca 0.55 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.52 3hxj h TRP 91 Cb 2.23 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 28.39 3hxj h TRP 91 CO 0.00 0.00 0.06 0.00 -1.28 0.00 0.00 178.44 177.22 3hxj h ARG 92 N 0.00 0.00 -1.48 0.12 3.08 -1.31 -3.53 114.38 111.26 3hxj h ARG 92 Ca 0.21 0.00 0.09 0.00 0.07 0.00 0.00 59.98 60.36 3hxj h ARG 92 Cb 0.87 0.00 -0.27 0.00 0.08 0.00 0.00 29.97 30.65 3hxj h ARG 92 CO -0.00 0.00 0.56 -0.59 -1.07 0.00 0.00 179.97 178.87 3hxj s PHE 93 N -4.24 -0.37 0.00 3.04 -0.00 -0.21 -4.73 117.98 111.47 3hxj s PHE 93 Ca -0.05 0.86 0.00 0.00 -0.00 0.00 0.00 56.93 57.75 3hxj s PHE 93 Cb 0.13 0.40 0.00 0.00 -0.00 0.00 0.00 43.02 43.55 3hxj s PHE 93 CO 0.42 -0.20 0.00 -1.13 -0.00 0.00 0.00 175.22 174.31 3hxj n SER 101 N 1.87 0.00 -0.80 1.98 3.41 -1.26 -5.06 113.62 113.76 3hxj n SER 101 Ca -0.11 -0.88 0.07 0.00 -0.26 0.00 0.00 58.87 57.68 3hxj n SER 101 Cb 0.56 0.00 0.20 0.00 -0.26 0.00 0.00 64.21 64.72 3hxj n SER 101 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3hxj n ASP 102 N -0.14 3.35 -3.85 4.04 5.75 -1.26 -4.19 116.55 120.26 3hxj n ASP 102 Ca 0.00 -2.31 -0.09 0.00 -0.01 0.00 0.00 54.79 52.38 3hxj n ASP 102 Cb 0.00 -0.35 -0.07 0.00 -1.03 0.00 0.00 41.12 39.67 3hxj n ASP 102 CO 0.00 0.00 0.00 0.72 -0.11 0.00 0.00 177.20 177.81 3hxj s PHE 103 N -1.56 0.15 -0.07 2.11 -0.12 -1.26 -1.06 117.98 116.17 3hxj s PHE 103 Ca 0.31 -0.55 -0.11 0.00 -0.05 0.00 0.00 56.93 56.54 3hxj s PHE 103 Cb 0.20 0.00 0.02 0.00 -0.63 0.00 0.00 43.02 42.62 3hxj s PHE 103 CO 0.15 -0.63 0.27 -0.08 -0.05 0.00 0.00 175.22 174.88 3hxj s THR 104 N -3.88 0.03 -0.18 -4.49 -1.32 -0.23 -4.86 115.64 100.71 3hxj s THR 104 Ca 0.08 -0.21 -0.05 0.00 -1.21 0.00 0.00 61.69 60.31 3hxj s THR 104 Cb 0.04 -0.45 -0.03 0.00 -1.51 0.00 0.00 72.50 70.55 3hxj s THR 104 CO -0.08 -0.11 -0.01 -0.63 -2.21 0.00 0.00 174.62 171.57 3hxj s ILE 105 N -0.41 4.01 -0.06 5.08 1.01 -1.26 -0.89 121.20 128.67 3hxj s ILE 105 Ca -0.05 -0.31 -0.01 0.00 0.00 0.00 0.00 60.65 60.28 3hxj s ILE 105 Cb -0.04 -2.78 0.03 0.00 0.01 0.00 0.00 42.46 39.68 3hxj s ILE 105 CO 0.01 0.46 -0.01 0.12 0.00 0.00 0.00 174.94 175.53 3hxj s PHE 106 N 0.62 0.61 -1.29 3.97 5.36 -0.55 -4.90 117.98 121.81 3hxj s PHE 106 Ca -0.01 -0.13 -0.17 0.00 -0.96 0.00 0.00 56.93 55.66 3hxj s PHE 106 Cb -0.14 -0.70 0.01 0.00 -0.34 0.00 0.00 43.02 41.85 3hxj s PHE 106 CO 0.02 -0.27 0.56 0.39 -1.46 0.00 0.00 175.22 174.46 3hxj n GLU 107 N 4.78 -1.42 -1.39 10.12 1.02 -1.26 -1.48 120.64 131.01 3hxj n GLU 107 Ca -0.13 0.28 -0.13 0.00 -0.02 0.00 0.00 57.16 57.15 3hxj n GLU 107 Cb 0.50 -3.68 -0.06 0.00 -0.02 0.00 0.00 31.44 28.19 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 -2.63 -5.24 -4.19 1.62 8.00 -1.26 -4.99 116.55 107.86 3hxj n ASP 108 Ca -0.19 0.33 -0.30 0.00 0.71 0.00 0.00 54.79 55.34 3hxj n ASP 108 Cb 0.62 -3.93 -0.17 0.00 -0.02 0.00 0.00 41.12 37.62 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 -2.29 1.86 -0.25 0.53 -1.09 -0.55 -4.34 121.20 115.07 3hxj s ILE 109 Ca 0.00 -0.91 -0.19 0.00 -2.23 0.00 0.00 60.65 57.32 3hxj s ILE 109 Cb 0.00 -1.61 -0.02 0.00 -1.58 0.00 0.00 42.46 39.25 3hxj s ILE 109 CO 0.00 0.52 0.56 -0.22 -1.23 0.00 0.00 174.94 174.57 3hxj s LEU 110 N 0.30 4.07 -0.39 2.97 0.20 -0.19 -1.48 118.68 124.16 3hxj s LEU 110 Ca -0.15 0.61 -0.09 0.00 0.69 0.00 0.00 54.13 55.20 3hxj s LEU 110 Cb -0.17 -2.74 0.06 0.00 -0.43 0.00 0.00 46.19 42.91 3hxj s LEU 110 CO 0.07 -0.30 0.21 -0.31 -0.29 0.00 0.00 176.35 175.72 3hxj s TYR 111 N 2.29 3.31 -0.05 5.38 2.02 -0.07 0.12 117.35 130.34 3hxj s TYR 111 Ca 0.23 -1.43 0.04 0.00 -0.37 0.00 0.00 57.07 55.55 3hxj s TYR 111 Cb -0.16 -2.70 -0.00 0.00 -0.40 0.00 0.00 41.96 38.71 3hxj s TYR 111 CO 0.09 -0.79 -0.18 0.54 -1.57 0.00 0.00 175.55 173.64 3hxj s VAL 112 N 1.43 1.56 0.51 0.71 0.11 -0.06 -1.07 120.40 123.59 3hxj s VAL 112 Ca 0.02 -0.77 -0.02 0.00 -2.93 0.00 0.00 61.98 58.27 3hxj s VAL 112 Cb -0.21 -1.34 0.00 0.00 -1.53 0.00 0.00 36.38 33.30 3hxj s VAL 112 CO 0.03 0.45 0.78 0.42 -3.33 0.00 0.00 175.10 173.44 3hxj s THR 113 N 0.11 3.85 0.00 5.04 -4.23 -0.22 -0.17 115.64 120.01 3hxj s THR 113 Ca -0.07 -0.26 0.00 0.00 -1.18 0.00 0.00 61.69 60.18 3hxj s THR 113 Cb -0.13 -3.47 0.00 0.00 1.34 0.00 0.00 72.50 70.24 3hxj s THR 113 CO 0.03 -0.40 0.00 -0.24 -0.54 0.00 0.00 174.62 173.47 3hxj n SER 114 N -2.31 0.05 0.00 3.99 2.88 -0.64 -4.91 113.62 112.67 3hxj n SER 114 Ca 0.03 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.57 3hxj n SER 114 Cb 0.58 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.04 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 -2.54 116.55 114.97 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 -0.26 0.00 0.00 -1.14 0.00 0.00 41.12 39.72 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 0.47 1.05 3.93 6.12 0.00 -1.25 -4.82 105.19 110.69 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 -3.11 3.49 -0.24 1.61 3.76 -1.25 -0.43 115.29 119.12 3hxj s HIS 118 Ca 0.00 0.20 -0.07 0.00 -0.15 0.00 0.00 55.06 55.04 3hxj s HIS 118 Cb 0.00 -1.73 -0.02 0.00 1.11 0.00 0.00 32.58 31.94 3hxj s HIS 118 CO 0.00 0.51 0.05 -1.17 -0.85 0.00 0.00 174.74 173.28 3hxj s LEU 119 N -3.05 3.33 -0.12 0.89 1.98 0.10 -1.63 118.68 120.19 3hxj s LEU 119 Ca 0.35 -0.24 -0.05 0.00 -2.89 0.00 0.00 54.13 51.30 3hxj s LEU 119 Cb -0.12 -1.89 -0.04 0.00 0.66 0.00 0.00 46.19 44.81 3hxj s LEU 119 CO 0.28 -0.03 0.08 -0.31 -1.89 0.00 0.00 176.35 174.49 3hxj s TYR 120 N 1.57 3.39 -0.29 5.38 1.51 0.76 -0.87 117.35 128.81 3hxj s TYR 120 Ca 0.06 0.34 -0.07 0.00 -1.01 0.00 0.00 57.07 56.40 3hxj s TYR 120 Cb -0.15 -1.92 0.00 0.00 -0.11 0.00 0.00 41.96 39.79 3hxj s TYR 120 CO 0.02 0.55 0.07 0.00 -1.11 0.00 0.00 175.55 175.09 3hxj s ALA 121 N -0.74 3.07 -0.08 3.71 0.00 -0.48 -0.88 121.76 126.36 3hxj s ALA 121 Ca 0.12 -1.39 0.02 0.00 0.00 0.00 0.00 51.96 50.71 3hxj s ALA 121 Cb -0.12 -2.12 -0.02 0.00 0.00 0.00 0.00 23.12 20.86 3hxj s ALA 121 CO 0.03 -0.84 -0.12 0.42 0.00 0.00 0.00 175.76 175.25 3hxj s ILE 122 N 1.52 3.24 0.79 0.00 -1.09 0.32 -0.04 121.20 125.93 3hxj s ILE 122 Ca 0.03 -0.63 -0.12 0.00 -2.23 0.00 0.00 60.65 57.70 3hxj s ILE 122 Cb -0.17 -2.32 0.06 0.00 -1.58 0.00 0.00 42.46 38.46 3hxj s ILE 122 CO 0.02 0.57 1.11 0.20 -1.23 0.00 0.00 174.94 175.61 3hxj s ASN 123 N -0.37 4.64 0.51 3.58 0.01 0.12 -1.02 114.94 122.41 3hxj s ASN 123 Ca 0.04 1.18 0.17 0.00 -0.71 0.00 0.00 52.86 53.55 3hxj s ASN 123 Cb -0.12 -1.90 1.26 0.00 0.41 0.00 0.00 41.25 40.90 3hxj s ASN 123 CO 0.02 -1.86 2.10 0.71 -1.51 0.00 0.00 177.10 176.56 3hxj h THR 124 N -1.02 0.94 -0.02 1.60 1.35 -1.88 0.17 112.91 114.06 3hxj h THR 124 Ca -0.47 -0.02 0.00 0.00 -0.55 0.00 0.00 66.41 65.37 3hxj h THR 124 Cb 1.28 0.89 0.00 0.00 -1.73 0.00 0.00 68.15 68.58 3hxj h THR 124 CO 0.61 0.01 0.00 -0.90 -0.25 0.00 0.00 175.52 174.99 3hxj n ASP 125 N -4.50 0.48 0.00 5.36 5.68 -1.26 -4.60 116.55 117.71 3hxj n ASP 125 Ca 0.01 -1.27 0.00 0.00 -0.50 0.00 0.00 54.79 53.03 3hxj n ASP 125 Cb 0.22 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.19 3hxj n ASP 125 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3hxj n GLY 126 N 1.00 0.89 3.81 6.12 0.00 0.05 -5.05 105.19 112.00 3hxj n GLY 126 Ca 0.20 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.89 3hxj n GLY 126 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hxj s THR 127 N -2.65 3.91 -0.16 2.61 2.01 -1.26 -4.74 115.64 115.37 3hxj s THR 127 Ca 0.00 1.06 -0.26 0.00 0.31 0.00 0.00 61.69 62.80 3hxj s THR 127 Cb 0.00 -3.46 -0.01 0.00 0.01 0.00 0.00 72.50 69.03 3hxj s THR 127 CO 0.00 -0.39 0.85 -0.70 -0.69 0.00 0.00 174.62 173.69 3hxj s GLU 128 N -3.62 4.31 -0.11 4.92 2.12 -1.26 0.14 118.70 125.19 3hxj s GLU 128 Ca 0.65 1.05 -0.26 0.00 0.36 0.00 0.00 54.97 56.77 3hxj s GLU 128 Cb -0.15 -3.57 -0.27 0.00 0.26 0.00 0.00 34.13 30.40 3hxj s GLU 128 CO 0.27 -0.32 0.78 -0.22 -0.54 0.00 0.00 175.26 175.23 3hxj h LYS 129 N 7.29 0.10 -2.22 4.30 3.64 -0.80 -3.47 116.57 125.41 3hxj h LYS 129 Ca -0.30 -0.17 0.21 0.00 -1.27 0.00 0.00 60.65 59.12 3hxj h LYS 129 Cb 1.13 0.06 -0.07 0.00 -0.41 0.00 0.00 32.23 32.94 3hxj h LYS 129 CO 0.84 1.08 0.59 1.67 -2.27 0.00 0.00 179.45 181.36 3hxj s TRP 130 N -2.29 -0.05 -0.01 1.91 1.48 -1.17 -5.02 118.94 113.78 3hxj s TRP 130 Ca -0.18 -0.24 -0.03 0.00 -1.06 0.00 0.00 56.10 54.59 3hxj s TRP 130 Cb -0.01 0.64 0.00 0.00 -1.16 0.00 0.00 33.47 32.94 3hxj s TRP 130 CO 0.73 -0.74 0.07 -0.98 -4.06 0.00 0.00 176.95 171.98 3hxj s ARG 131 N -2.75 0.21 -0.17 3.25 1.70 -1.26 -1.38 118.95 118.55 3hxj s ARG 131 Ca 0.16 -0.13 0.01 0.00 -0.47 0.00 0.00 55.73 55.31 3hxj s ARG 131 Cb -0.01 0.09 0.02 0.00 -0.57 0.00 0.00 34.95 34.48 3hxj s ARG 131 CO 0.02 -0.04 -0.20 0.12 -1.08 0.00 0.00 175.30 174.12 3hxj s PHE 132 N -0.52 2.71 -0.14 5.89 2.19 -0.05 -4.95 117.98 123.11 3hxj s PHE 132 Ca -0.06 -1.57 -0.12 0.00 0.33 0.00 0.00 56.93 55.51 3hxj s PHE 132 Cb -0.04 -1.88 -0.05 0.00 -1.31 0.00 0.00 43.02 39.75 3hxj s PHE 132 CO 0.00 -0.77 0.25 0.21 1.83 0.00 0.00 175.22 176.74 3hxj s LYS 133 N 1.23 4.06 0.46 10.12 2.20 -1.26 0.01 119.74 136.56 3hxj s LYS 133 Ca 0.03 0.04 0.07 0.00 -0.36 0.00 0.00 55.97 55.75 3hxj s LYS 133 Cb -0.13 -3.36 0.00 0.00 -1.51 0.00 0.00 37.83 32.83 3hxj s LYS 133 CO -0.11 0.40 0.42 0.95 -0.36 0.00 0.00 175.35 176.64 3hxj s THR 134 N 0.01 2.40 -0.51 3.43 -4.23 0.43 -4.98 115.64 112.18 3hxj s THR 134 Ca 0.16 -1.35 0.26 0.00 -1.18 0.00 0.00 61.69 59.57 3hxj s THR 134 Cb -0.13 -2.75 0.30 0.00 1.34 0.00 0.00 72.50 71.26 3hxj s THR 134 CO 0.04 0.00 1.75 0.11 -0.54 0.00 0.00 174.62 175.98 3hxj h LYS 135 N 0.90 0.00 -4.70 3.99 1.79 -1.95 -3.45 116.57 113.16 3hxj h LYS 135 Ca -0.39 0.00 -0.40 0.00 -2.18 0.00 0.00 60.65 57.68 3hxj h LYS 135 Cb 1.28 0.00 -0.12 0.00 -1.58 0.00 0.00 32.23 31.80 3hxj h LYS 135 CO 0.56 0.00 -0.44 0.15 -1.08 0.00 0.00 179.45 178.64 3hxj s LYS 136 N -3.24 1.72 0.60 3.15 -0.14 -1.26 -4.92 119.74 115.64 3hxj s LYS 136 Ca 0.07 -1.91 -0.19 0.00 -1.36 0.00 0.00 55.97 52.58 3hxj s LYS 136 Cb 0.10 0.34 -0.04 0.00 -1.68 0.00 0.00 37.83 36.55 3hxj s LYS 136 CO 0.56 -0.65 1.08 0.00 -0.76 0.00 0.00 175.35 175.58 3hxj n ALA 137 N -0.57 0.54 -3.23 5.17 0.00 -1.26 -3.85 120.51 117.32 3hxj n ALA 137 Ca 0.05 0.03 -0.33 0.00 0.00 0.00 0.00 53.44 53.19 3hxj n ALA 137 Cb 0.63 -2.18 -0.14 0.00 0.00 0.00 0.00 19.45 17.75 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 -1.45 3.07 0.00 0.00 1.01 -1.05 -1.27 121.20 121.51 3hxj s ILE 138 Ca 0.76 -0.64 0.00 0.00 0.00 0.00 0.00 60.65 60.77 3hxj s ILE 138 Cb -0.41 -2.31 0.00 0.00 0.01 0.00 0.00 42.46 39.74 3hxj s ILE 138 CO 0.46 0.50 0.55 -1.22 0.00 0.00 0.00 174.94 175.24 3hxj n TYR 139 N 3.85 0.00 -3.55 3.97 4.01 -1.26 -4.47 117.16 119.71 3hxj n TYR 139 Ca -0.18 -0.11 -0.33 0.00 -0.16 0.00 0.00 57.90 57.11 3hxj n TYR 139 Cb 0.52 -0.01 -0.05 0.00 -0.31 0.00 0.00 39.34 39.49 3hxj n TYR 139 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3hxj s ALA 140 N -0.22 3.69 0.16 -0.72 0.00 -1.26 -4.73 121.76 118.67 3hxj s ALA 140 Ca 0.00 -0.39 -0.28 0.00 0.00 0.00 0.00 51.96 51.29 3hxj s ALA 140 Cb 0.00 -2.29 -0.07 0.00 0.00 0.00 0.00 23.12 20.76 3hxj s ALA 140 CO 0.00 0.58 0.89 0.95 0.00 0.00 0.00 175.76 178.18 3hxj s THR 141 N -1.59 4.36 0.43 0.00 -4.23 -1.26 -4.86 115.64 108.49 3hxj s THR 141 Ca 0.39 1.95 -0.18 0.00 -1.18 0.00 0.00 61.69 62.67 3hxj s THR 141 Cb -0.13 -4.26 -0.10 0.00 1.34 0.00 0.00 72.50 69.35 3hxj s THR 141 CO 0.21 0.43 0.91 -2.16 -0.54 0.00 0.00 174.62 173.46 3hxj s PRO 142 N -0.63 4.09 0.06 3.99 0.04 -1.26 -4.34 135.00 136.94 3hxj s PRO 142 Ca 0.42 0.95 0.04 0.00 0.04 0.00 0.00 61.00 62.45 3hxj s PRO 142 Cb -0.24 -2.23 -0.03 0.00 0.04 0.00 0.00 34.50 32.05 3hxj s PRO 142 CO 0.29 -0.06 -0.12 0.96 0.04 0.00 0.00 177.00 178.11 3hxj s ILE 143 N -2.27 0.91 -0.13 0.56 -4.36 -0.76 -4.61 121.20 110.55 3hxj s ILE 143 Ca 0.59 -1.21 0.03 0.00 -0.26 0.00 0.00 60.65 59.79 3hxj s ILE 143 Cb -0.10 -0.91 0.00 0.00 1.25 0.00 0.00 42.46 42.71 3hxj s ILE 143 CO 0.20 -0.27 -0.21 -0.69 0.24 0.00 0.00 174.94 174.21 3hxj s VAL 144 N -1.29 2.21 0.81 8.37 1.01 -1.26 -0.61 120.40 129.64 3hxj s VAL 144 Ca -0.05 -0.94 -0.12 0.00 0.00 0.00 0.00 61.98 60.88 3hxj s VAL 144 Cb -0.10 -1.88 0.08 0.00 0.00 0.00 0.00 36.38 34.48 3hxj s VAL 144 CO 0.02 0.55 1.11 -0.94 0.00 0.00 0.00 175.10 175.83 3hxj s SER 145 N 0.62 4.37 0.54 3.32 1.04 -0.14 -4.92 113.70 118.54 3hxj s SER 145 Ca -0.11 1.21 0.22 0.00 0.48 0.00 0.00 55.95 57.75 3hxj s SER 145 Cb -0.16 -1.91 1.40 0.00 0.10 0.00 0.00 66.02 65.45 3hxj s SER 145 CO 0.03 -2.03 2.10 -0.33 0.98 0.00 0.00 173.24 173.98 3hxj h GLU 146 N -1.13 0.00 -0.30 4.02 4.39 -2.00 -1.17 114.58 118.39 3hxj h GLU 146 Ca -0.47 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.23 3hxj h GLU 146 Cb 1.28 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.93 3hxj h GLU 146 CO 0.60 0.00 0.00 -0.40 -1.16 0.00 0.00 179.01 178.05 3hxj n ASP 147 N -4.34 1.71 0.00 1.42 3.85 -1.26 -4.91 116.55 113.02 3hxj n ASP 147 Ca 0.02 -1.95 0.00 0.00 -0.71 0.00 0.00 54.79 52.14 3hxj n ASP 147 Cb 0.29 -0.20 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 1.03 0.56 3.70 6.12 0.00 -0.44 -4.98 105.19 111.18 3hxj n GLY 148 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.22 3.63 -0.11 2.61 2.01 -1.26 -4.11 115.64 116.19 3hxj s THR 149 Ca 0.00 1.10 -0.15 0.00 0.31 0.00 0.00 61.69 62.95 3hxj s THR 149 Cb 0.00 -3.70 -0.05 0.00 0.01 0.00 0.00 72.50 68.76 3hxj s THR 149 CO 0.00 0.04 0.38 -0.63 -0.69 0.00 0.00 174.62 173.72 3hxj s ILE 150 N 1.76 5.21 -0.16 1.82 1.09 0.78 -0.96 121.20 130.74 3hxj s ILE 150 Ca 0.63 0.74 0.01 0.00 -1.10 0.00 0.00 60.65 60.93 3hxj s ILE 150 Cb -0.33 -3.71 0.01 0.00 -1.06 0.00 0.00 42.46 37.37 3hxj s ILE 150 CO 0.28 0.42 -0.17 -0.31 -0.10 0.00 0.00 174.94 175.06 3hxj s TYR 151 N 0.10 2.76 -0.16 3.97 2.02 0.22 0.18 117.35 126.44 3hxj s TYR 151 Ca 0.21 -1.24 -0.17 0.00 -0.37 0.00 0.00 57.07 55.50 3hxj s TYR 151 Cb -0.15 -1.89 0.05 0.00 -0.40 0.00 0.00 41.96 39.57 3hxj s TYR 151 CO 0.08 -0.59 0.47 0.54 -1.57 0.00 0.00 175.55 174.48 3hxj s VAL 152 N 0.96 0.00 0.37 0.71 0.11 -0.80 -1.83 120.40 119.94 3hxj s VAL 152 Ca -0.03 -0.04 0.04 0.00 -2.93 0.00 0.00 61.98 59.02 3hxj s VAL 152 Cb -0.15 -0.67 -0.01 0.00 -1.53 0.00 0.00 36.38 34.02 3hxj s VAL 152 CO -0.04 -0.02 0.55 -0.83 -3.33 0.00 0.00 175.10 171.43 3hxj s GLY 153 N 0.05 1.54 0.11 6.54 0.00 -1.26 -0.54 107.32 113.77 3hxj s GLY 153 Ca -0.02 -1.25 0.01 0.00 0.00 0.00 0.00 44.72 43.46 3hxj s GLY 153 CO 0.01 -1.14 -0.03 -0.45 0.00 0.00 0.00 173.10 171.49 3hxj s SER 154 N -4.17 1.01 0.00 1.64 0.15 -0.86 -4.40 113.70 107.07 3hxj s SER 154 Ca 0.45 -1.06 0.14 0.00 0.70 0.00 0.00 55.95 56.18 3hxj s SER 154 Cb -0.10 0.13 0.83 0.00 -1.71 0.00 0.00 66.02 65.18 3hxj s SER 154 CO 0.34 -0.53 1.25 0.59 1.20 0.00 0.00 173.24 176.09 3hxj n ASN 155 N -0.08 0.00 -0.79 5.45 4.13 -0.39 -1.71 115.26 121.86 3hxj n ASN 155 Ca -0.10 -0.54 0.06 0.00 1.68 0.00 0.00 54.58 55.68 3hxj n ASN 155 Cb 0.62 0.00 0.18 0.00 -1.54 0.00 0.00 39.78 39.04 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 -0.95 2.28 0.00 6.41 3.85 -1.26 -4.58 116.55 122.31 3hxj n ASP 156 Ca 0.10 -2.06 0.00 0.00 -0.71 0.00 0.00 54.79 52.12 3hxj n ASP 156 Cb 0.05 -0.31 0.00 0.00 -1.35 0.00 0.00 41.12 39.51 3hxj n ASP 156 CO 0.00 0.00 0.00 0.59 -1.01 0.00 0.00 177.20 176.78 3hxj n ASN 157 N 0.61 -1.90 -4.80 -1.12 3.02 -0.70 -4.91 115.26 105.45 3hxj n ASN 157 Ca 0.13 0.00 -0.32 0.00 -0.03 0.00 0.00 54.58 54.36 3hxj n ASN 157 Cb 0.38 -1.16 -0.06 0.00 -0.61 0.00 0.00 39.78 38.33 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 -2.36 3.31 -0.21 3.10 1.51 -1.26 -0.37 117.35 121.09 3hxj s TYR 158 Ca 0.00 0.20 -0.09 0.00 -1.01 0.00 0.00 57.07 56.17 3hxj s TYR 158 Cb 0.00 -1.73 -0.05 0.00 -0.11 0.00 0.00 41.96 40.08 3hxj s TYR 158 CO 0.00 0.56 0.12 -1.17 -1.11 0.00 0.00 175.55 173.95 3hxj s LEU 159 N -1.94 4.08 -0.09 -1.29 2.96 0.09 -2.02 118.68 120.47 3hxj s LEU 159 Ca 0.25 0.16 -0.01 0.00 -0.22 0.00 0.00 54.13 54.31 3hxj s LEU 159 Cb -0.12 -2.06 -0.03 0.00 0.50 0.00 0.00 46.19 44.48 3hxj s LEU 159 CO 0.17 0.15 -0.05 -0.31 -1.32 0.00 0.00 176.35 174.99 3hxj s TYR 160 N 0.56 3.01 -0.31 5.38 2.02 0.30 -0.63 117.35 127.68 3hxj s TYR 160 Ca 0.07 0.01 -0.05 0.00 -0.37 0.00 0.00 57.07 56.73 3hxj s TYR 160 Cb -0.12 -1.78 0.03 0.00 -0.40 0.00 0.00 41.96 39.70 3hxj s TYR 160 CO 0.00 0.30 0.06 0.00 -1.57 0.00 0.00 175.55 174.34 3hxj s ALA 161 N -0.62 2.96 -0.12 3.71 0.00 0.13 -1.91 121.76 125.91 3hxj s ALA 161 Ca 0.10 -1.66 -0.01 0.00 0.00 0.00 0.00 51.96 50.38 3hxj s ALA 161 Cb -0.12 -2.11 -0.02 0.00 0.00 0.00 0.00 23.12 20.87 3hxj s ALA 161 CO 0.02 -1.19 -0.09 0.42 0.00 0.00 0.00 175.76 174.92 3hxj s ILE 162 N 1.38 3.44 0.69 0.00 1.01 0.13 -0.05 121.20 127.80 3hxj s ILE 162 Ca -0.02 -0.53 -0.11 0.00 0.00 0.00 0.00 60.65 59.99 3hxj s ILE 162 Cb -0.19 -2.46 0.00 0.00 0.01 0.00 0.00 42.46 39.83 3hxj s ILE 162 CO 0.01 0.53 1.06 0.20 0.00 0.00 0.00 174.94 176.74 3hxj s ASN 163 N 0.11 5.42 0.56 3.58 0.01 0.87 -0.15 114.94 125.33 3hxj s ASN 163 Ca -0.04 1.62 0.27 0.00 -0.71 0.00 0.00 52.86 54.01 3hxj s ASN 163 Cb -0.14 -2.50 1.49 0.00 0.41 0.00 0.00 41.25 40.51 3hxj s ASN 163 CO 0.04 -1.42 2.00 -0.65 -1.51 0.00 0.00 177.10 175.56 3hxj h PRO 164 N -0.65 0.00 -0.12 -0.60 0.11 -1.88 0.43 132.00 129.30 3hxj h PRO 164 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3hxj h PRO 164 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3hxj h PRO 164 CO 0.57 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.96 3hxj n ASP 165 N -4.03 0.80 0.00 -2.05 5.68 -1.26 -4.87 116.55 110.81 3hxj n ASP 165 Ca 0.07 -1.77 0.00 0.00 -0.50 0.00 0.00 54.79 52.59 3hxj n ASP 165 Cb 0.54 -0.08 0.00 0.00 -1.14 0.00 0.00 41.12 40.44 3hxj n ASP 165 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3hxj n GLY 166 N 0.85 0.81 3.83 6.12 0.00 0.14 -5.04 105.19 111.91 3hxj n GLY 166 Ca 0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 3hxj n GLY 166 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hxj s THR 167 N -3.13 4.58 -0.15 2.61 2.01 -1.25 -4.81 115.64 115.50 3hxj s THR 167 Ca 0.00 1.15 -0.29 0.00 0.31 0.00 0.00 61.69 62.86 3hxj s THR 167 Cb 0.00 -3.68 -0.00 0.00 0.01 0.00 0.00 72.50 68.83 3hxj s THR 167 CO 0.00 -0.11 1.03 -0.70 -0.69 0.00 0.00 174.62 174.15 3hxj s GLU 168 N -2.76 4.36 -0.13 4.92 2.12 -1.26 -0.09 118.70 125.85 3hxj s GLU 168 Ca 0.53 1.39 -0.26 0.00 0.36 0.00 0.00 54.97 56.99 3hxj s GLU 168 Cb -0.12 -3.58 -0.23 0.00 0.26 0.00 0.00 34.13 30.46 3hxj s GLU 168 CO 0.18 -0.45 0.71 -0.22 -0.54 0.00 0.00 175.26 174.94 3hxj h LYS 169 N 7.26 -0.00 -2.18 4.30 3.64 -0.80 -3.46 116.57 125.33 3hxj h LYS 169 Ca -0.26 0.00 0.22 0.00 -1.27 0.00 0.00 60.65 59.34 3hxj h LYS 169 Cb 1.11 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 32.86 3hxj h LYS 169 CO 0.91 0.87 0.64 1.67 -2.27 0.00 0.00 179.45 181.27 3hxj s TRP 170 N -2.22 -0.03 0.03 1.91 1.48 -1.11 -5.03 118.94 113.98 3hxj s TRP 170 Ca -0.17 -0.25 -0.05 0.00 -1.06 0.00 0.00 56.10 54.58 3hxj s TRP 170 Cb -0.03 0.63 -0.01 0.00 -1.16 0.00 0.00 33.47 32.90 3hxj s TRP 170 CO 0.62 -0.68 0.08 -0.98 -4.06 0.00 0.00 176.95 171.92 3hxj s ARG 171 N -2.60 0.55 -0.10 3.25 1.70 -1.26 -0.69 118.95 119.79 3hxj s ARG 171 Ca 0.17 -0.74 0.01 0.00 -0.47 0.00 0.00 55.73 54.70 3hxj s ARG 171 Cb -0.00 0.21 0.02 0.00 -0.57 0.00 0.00 34.95 34.61 3hxj s ARG 171 CO 0.02 -0.13 -0.11 0.12 -1.08 0.00 0.00 175.30 174.12 3hxj s PHE 172 N -2.48 1.60 0.08 5.89 5.36 0.20 -4.94 117.98 123.68 3hxj s PHE 172 Ca -0.06 -0.74 -0.26 0.00 -0.96 0.00 0.00 56.93 54.90 3hxj s PHE 172 Cb -0.02 -1.24 -0.06 0.00 -0.34 0.00 0.00 43.02 41.36 3hxj s PHE 172 CO -0.04 -0.45 0.81 0.21 -1.46 0.00 0.00 175.22 174.29 3hxj s LYS 173 N 1.27 4.56 0.25 10.12 2.20 -1.26 -0.73 119.74 136.15 3hxj s LYS 173 Ca -0.03 1.17 0.01 0.00 -0.36 0.00 0.00 55.97 56.77 3hxj s LYS 173 Cb -0.14 -3.35 -0.00 0.00 -1.51 0.00 0.00 37.83 32.82 3hxj s LYS 173 CO -0.04 0.30 0.04 0.25 -0.36 0.00 0.00 175.35 175.54 3hxj n THR 174 N 2.65 0.00 0.77 3.43 -2.24 0.51 -4.99 114.28 114.40 3hxj n THR 174 Ca -0.02 -1.31 0.09 0.00 -2.27 0.00 0.00 64.05 60.55 3hxj n THR 174 Cb 0.50 0.36 0.08 0.00 -2.10 0.00 0.00 70.33 69.16 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 -1.44 2.58 -4.03 3.42 3.02 -1.26 -4.80 115.26 112.75 3hxj n ASN 175 Ca -0.08 -1.79 -0.10 0.00 -0.03 0.00 0.00 54.58 52.59 3hxj n ASN 175 Cb 0.34 -0.01 -0.08 0.00 -0.61 0.00 0.00 39.78 39.43 3hxj n ASN 175 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3hxj s ASP 176 N -1.56 0.07 0.36 6.41 -1.08 -1.26 -4.86 116.67 114.75 3hxj s ASP 176 Ca 0.22 -1.00 -0.28 0.00 -0.52 0.00 0.00 52.55 50.96 3hxj s ASP 176 Cb 0.16 0.44 -0.11 0.00 -1.46 0.00 0.00 42.92 41.94 3hxj s ASP 176 CO 0.24 -0.91 1.49 0.00 0.52 0.00 0.00 175.17 176.51 3hxj s ALA 177 N -4.02 3.60 -0.35 3.66 0.00 -1.26 -4.15 121.76 119.24 3hxj s ALA 177 Ca 0.22 1.54 -0.14 0.00 0.00 0.00 0.00 51.96 53.58 3hxj s ALA 177 Cb 0.04 -3.60 -0.01 0.00 0.00 0.00 0.00 23.12 19.54 3hxj s ALA 177 CO 0.04 -1.00 0.32 0.42 0.00 0.00 0.00 175.76 175.53 3hxj s ILE 178 N -0.90 5.21 0.00 0.00 1.01 -0.74 -4.70 121.20 121.09 3hxj s ILE 178 Ca 0.54 -0.09 0.00 0.00 0.00 0.00 0.00 60.65 61.10 3hxj s ILE 178 Cb -0.46 -3.79 0.00 0.00 0.01 0.00 0.00 42.46 38.21 3hxj s ILE 178 CO 0.59 -0.08 0.90 0.35 0.00 0.00 0.00 174.94 176.70 3hxj n THR 179 N 5.20 0.80 -4.27 2.92 -2.24 -1.26 -3.71 114.28 111.71 3hxj n THR 179 Ca -0.10 -0.89 -0.16 0.00 -2.27 0.00 0.00 64.05 60.62 3hxj n THR 179 Cb 0.49 0.60 -0.10 0.00 -2.10 0.00 0.00 70.33 69.22 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 -0.80 2.02 0.74 3.42 1.04 -1.26 -4.23 113.70 114.62 3hxj s SER 180 Ca 0.00 -0.99 -0.11 0.00 0.48 0.00 0.00 55.95 55.33 3hxj s SER 180 Cb 0.00 -0.05 0.04 0.00 0.10 0.00 0.00 66.02 66.11 3hxj s SER 180 CO 0.00 -0.27 1.08 0.00 0.98 0.00 0.00 173.24 175.03 3hxj s ALA 181 N -3.09 2.44 0.43 5.32 0.00 -1.26 -4.65 121.76 120.96 3hxj s ALA 181 Ca 0.17 0.19 0.03 0.00 0.00 0.00 0.00 51.96 52.35 3hxj s ALA 181 Cb 0.01 -3.23 0.00 0.00 0.00 0.00 0.00 23.12 19.90 3hxj s ALA 181 CO 0.02 -1.53 0.63 0.00 0.00 0.00 0.00 175.76 174.89 3hxj s ALA 182 N -2.96 3.95 0.09 0.00 0.00 -1.26 -4.42 121.76 117.15 3hxj s ALA 182 Ca 0.60 -1.24 0.06 0.00 0.00 0.00 0.00 51.96 51.38 3hxj s ALA 182 Cb -0.16 -1.98 -0.03 0.00 0.00 0.00 0.00 23.12 20.95 3hxj s ALA 182 CO 0.55 -0.34 -0.16 -1.12 0.00 0.00 0.00 175.76 174.69 3hxj s SER 183 N -4.25 1.98 -0.10 0.00 0.01 0.11 -4.92 113.70 106.54 3hxj s SER 183 Ca 0.49 -0.66 0.04 0.00 1.31 0.00 0.00 55.95 57.13 3hxj s SER 183 Cb -0.10 -0.08 -0.00 0.00 0.21 0.00 0.00 66.02 66.05 3hxj s SER 183 CO 0.36 -0.04 -0.24 -0.63 0.41 0.00 0.00 173.24 173.10 3hxj s ILE 184 N -1.33 2.10 0.82 1.44 1.01 0.38 0.80 121.20 126.41 3hxj s ILE 184 Ca 0.02 -1.01 -0.08 0.00 0.00 0.00 0.00 60.65 59.58 3hxj s ILE 184 Cb -0.09 -1.80 0.15 0.00 0.01 0.00 0.00 42.46 40.72 3hxj s ILE 184 CO 0.03 0.56 1.14 -0.83 0.00 0.00 0.00 174.94 175.83 3hxj s GLY 185 N 0.32 1.76 0.30 6.18 0.00 0.13 -4.12 107.32 111.88 3hxj s GLY 185 Ca -0.18 -1.37 -0.01 0.00 0.00 0.00 0.00 44.72 43.16 3hxj s GLY 185 CO 0.09 -0.75 1.93 0.50 0.00 0.00 0.00 173.10 174.87 3hxj h LYS 186 N -1.01 1.05 -0.32 2.90 1.57 -1.95 -1.20 116.57 117.61 3hxj h LYS 186 Ca -0.41 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 3hxj h LYS 186 Cb 1.26 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 33.33 3hxj h LYS 186 CO 0.43 0.70 0.00 -0.40 -0.57 0.00 0.00 179.45 179.60 3hxj n ASP 187 N -4.46 1.09 0.00 0.86 5.75 -1.26 -4.86 116.55 113.68 3hxj n ASP 187 Ca 0.12 -2.04 0.00 0.00 -0.01 0.00 0.00 54.79 52.86 3hxj n ASP 187 Cb 0.13 -0.20 0.00 0.00 -1.03 0.00 0.00 41.12 40.02 3hxj n ASP 187 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3hxj n GLY 188 N 0.61 1.63 3.71 6.12 0.00 -0.45 -4.90 105.19 111.92 3hxj n GLY 188 Ca 0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.00 0.34 -3.53 2.61 -1.04 -1.26 -4.37 114.28 105.03 3hxj n THR 189 Ca 0.00 -0.09 -0.37 0.00 -2.04 0.00 0.00 64.05 61.55 3hxj n THR 189 Cb 0.00 -1.87 -0.09 0.00 -1.82 0.00 0.00 70.33 66.55 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 0.73 5.28 -0.09 12.58 1.01 0.12 -0.70 121.20 140.13 3hxj s ILE 190 Ca 0.72 0.42 0.02 0.00 0.00 0.00 0.00 60.65 61.81 3hxj s ILE 190 Cb -0.54 -3.61 -0.02 0.00 0.01 0.00 0.00 42.46 38.30 3hxj s ILE 190 CO 0.39 0.30 -0.14 -0.31 0.00 0.00 0.00 174.94 175.17 3hxj s TYR 191 N 1.21 2.75 0.29 3.97 1.51 0.24 -0.62 117.35 126.70 3hxj s TYR 191 Ca 0.13 -0.46 -0.19 0.00 -1.01 0.00 0.00 57.07 55.54 3hxj s TYR 191 Cb -0.14 -1.75 0.02 0.00 -0.11 0.00 0.00 41.96 39.99 3hxj s TYR 191 CO 0.06 -0.05 0.71 -0.59 -1.11 0.00 0.00 175.55 174.56 3hxj s PHE 192 N -0.10 -0.08 0.04 2.71 -0.71 -0.95 0.10 117.98 118.98 3hxj s PHE 192 Ca -0.02 -0.40 0.00 0.00 -1.04 0.00 0.00 56.93 55.48 3hxj s PHE 192 Cb -0.14 0.68 -0.03 0.00 -1.21 0.00 0.00 43.02 42.32 3hxj s PHE 192 CO 0.04 -1.27 -0.04 0.20 -1.34 0.00 0.00 175.22 172.81 3hxj s GLY 193 N -2.95 0.41 0.00 1.99 0.00 -1.26 -0.02 107.32 105.49 3hxj s GLY 193 Ca 0.13 -0.88 0.00 0.00 0.00 0.00 0.00 44.72 43.97 3hxj s GLY 193 CO 0.08 -0.96 0.00 -1.14 0.00 0.00 0.00 173.10 171.08 3hxj n SER 194 N 0.97 0.00 0.28 1.64 3.41 -1.26 -4.58 113.62 114.09 3hxj n SER 194 Ca -0.20 0.00 0.14 0.00 -0.26 0.00 0.00 58.87 58.55 3hxj n SER 194 Cb 0.57 0.00 0.83 0.00 -0.26 0.00 0.00 64.21 65.35 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 -3.35 4.04 2.03 -1.85 0.12 116.42 117.40 3hxj h ASP 195 Ca 0.00 0.00 -0.14 0.00 -0.73 0.00 0.00 57.03 56.16 3hxj h ASP 195 Cb 0.00 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 38.48 3hxj h ASP 195 CO 0.00 0.04 0.08 2.29 -1.03 0.00 0.00 179.24 180.62 3hxj n LYS 196 N -3.87 0.91 -3.17 4.15 2.85 -1.26 -4.23 118.16 113.54 3hxj n LYS 196 Ca -0.03 -2.39 -0.39 0.00 -1.05 0.00 0.00 58.31 54.45 3hxj n LYS 196 Cb 0.13 2.64 -0.06 0.00 -0.65 0.00 0.00 35.03 37.09 3hxj n LYS 196 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 3hxj s VAL 197 N -2.44 4.87 0.03 0.58 1.01 0.66 -4.33 120.40 120.79 3hxj s VAL 197 Ca 0.21 1.31 0.08 0.00 0.00 0.00 0.00 61.98 63.58 3hxj s VAL 197 Cb -0.03 -3.96 -0.02 0.00 0.00 0.00 0.00 36.38 32.36 3hxj s VAL 197 CO 0.15 0.41 -0.22 -0.31 0.00 0.00 0.00 175.10 175.13 3hxj s TYR 198 N -0.20 1.96 -0.19 5.22 2.02 0.97 0.17 117.35 127.31 3hxj s TYR 198 Ca 0.32 -0.38 0.01 0.00 -0.37 0.00 0.00 57.07 56.65 3hxj s TYR 198 Cb -0.19 -1.19 0.02 0.00 -0.40 0.00 0.00 41.96 40.21 3hxj s TYR 198 CO 0.18 0.08 -0.18 0.00 -1.57 0.00 0.00 175.55 174.06 3hxj s ALA 199 N -0.75 2.39 -0.05 3.71 0.00 0.06 -2.24 121.76 124.87 3hxj s ALA 199 Ca 0.09 -1.24 0.06 0.00 0.00 0.00 0.00 51.96 50.87 3hxj s ALA 199 Cb -0.09 -1.25 -0.02 0.00 0.00 0.00 0.00 23.12 21.77 3hxj s ALA 199 CO 0.01 -0.40 -0.23 0.42 0.00 0.00 0.00 175.76 175.57 3hxj s ILE 200 N 1.30 2.28 0.48 0.00 1.01 0.21 -0.46 121.20 126.02 3hxj s ILE 200 Ca 0.04 -1.00 -0.21 0.00 0.00 0.00 0.00 60.65 59.49 3hxj s ILE 200 Cb -0.13 -1.84 -0.08 0.00 0.01 0.00 0.00 42.46 40.42 3hxj s ILE 200 CO -0.12 0.57 1.06 0.20 0.00 0.00 0.00 174.94 176.65 3hxj s ASN 201 N -0.34 6.28 0.63 3.58 0.02 0.41 -0.70 114.94 124.82 3hxj s ASN 201 Ca 0.02 1.99 0.24 0.00 -1.02 0.00 0.00 52.86 54.09 3hxj s ASN 201 Cb -0.12 -2.57 1.17 0.00 0.02 0.00 0.00 41.25 39.75 3hxj s ASN 201 CO 0.02 -0.82 1.64 -0.65 0.02 0.00 0.00 177.10 177.31 3hxj h PRO 202 N 1.62 0.00 -0.14 -0.60 0.11 -1.88 0.61 132.00 131.71 3hxj h PRO 202 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3hxj h PRO 202 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3hxj h PRO 202 CO 0.59 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.98 3hxj n ASP 203 N -3.19 1.73 0.00 -2.05 5.75 -1.26 -4.94 116.55 112.58 3hxj n ASP 203 Ca 0.07 -1.68 0.00 0.00 -0.01 0.00 0.00 54.79 53.17 3hxj n ASP 203 Cb 0.82 -0.09 0.00 0.00 -1.03 0.00 0.00 41.12 40.82 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 1.16 0.85 3.83 6.12 0.00 0.21 -5.00 105.19 112.36 3hxj n GLY 204 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.82 4.66 -0.02 2.61 -4.23 -1.25 -4.81 115.64 109.78 3hxj s THR 205 Ca 0.00 1.11 -0.30 0.00 -1.18 0.00 0.00 61.69 61.32 3hxj s THR 205 Cb 0.00 -3.79 -0.04 0.00 1.34 0.00 0.00 72.50 70.01 3hxj s THR 205 CO 0.00 0.16 1.21 -0.70 -0.54 0.00 0.00 174.62 174.75 3hxj s GLU 206 N -2.12 4.37 -0.03 3.99 2.12 -1.26 -0.44 118.70 125.33 3hxj s GLU 206 Ca 0.43 1.71 -0.17 0.00 0.36 0.00 0.00 54.97 57.30 3hxj s GLU 206 Cb -0.15 -3.50 -0.32 0.00 0.26 0.00 0.00 34.13 30.41 3hxj s GLU 206 CO 0.20 -0.39 0.82 -0.22 -0.54 0.00 0.00 175.26 175.13 3hxj h LYS 207 N 7.30 0.39 -1.13 4.30 3.64 -1.10 -3.46 116.57 126.50 3hxj h LYS 207 Ca -0.36 -0.67 0.37 0.00 -1.27 0.00 0.00 60.65 58.71 3hxj h LYS 207 Cb 1.18 0.25 -0.15 0.00 -0.41 0.00 0.00 32.23 33.10 3hxj h LYS 207 CO 0.86 1.32 0.95 1.67 -2.27 0.00 0.00 179.45 181.98 3hxj s TRP 208 N -2.52 -0.02 0.08 1.91 1.48 -1.11 -5.03 118.94 113.73 3hxj s TRP 208 Ca -0.14 -0.01 0.02 0.00 -1.06 0.00 0.00 56.10 54.92 3hxj s TRP 208 Cb 0.03 0.51 -0.03 0.00 -1.16 0.00 0.00 33.47 32.82 3hxj s TRP 208 CO 0.86 -0.07 -0.08 0.54 -4.06 0.00 0.00 176.95 174.14 3hxj s ASN 209 N -2.79 1.12 -0.09 -2.66 2.20 -1.26 -0.76 114.94 110.71 3hxj s ASN 209 Ca 0.14 -0.80 -0.04 0.00 -0.94 0.00 0.00 52.86 51.22 3hxj s ASN 209 Cb 0.05 0.05 0.05 0.00 -2.00 0.00 0.00 41.25 39.40 3hxj s ASN 209 CO -0.05 -0.33 0.18 0.12 -2.94 0.00 0.00 177.10 174.08 3hxj s PHE 210 N -2.57 -0.23 -0.48 1.54 2.19 0.13 -4.98 117.98 113.58 3hxj s PHE 210 Ca 0.03 0.64 -0.20 0.00 0.33 0.00 0.00 56.93 57.73 3hxj s PHE 210 Cb -0.02 -0.10 0.04 0.00 -1.31 0.00 0.00 43.02 41.63 3hxj s PHE 210 CO -0.02 -0.23 0.66 -0.47 1.83 0.00 0.00 175.22 176.99 3hxj s TYR 211 N 1.67 3.03 -0.04 10.12 5.04 -1.26 -0.25 117.35 135.67 3hxj s TYR 211 Ca -0.04 -0.28 -0.01 0.00 -2.44 0.00 0.00 57.07 54.30 3hxj s TYR 211 Cb -0.12 -3.49 0.00 0.00 0.35 0.00 0.00 41.96 38.70 3hxj s TYR 211 CO -0.07 -0.99 2.14 0.00 -1.34 0.00 0.00 175.55 175.29 3hxj n ALA 212 N 6.33 4.34 -0.92 3.97 0.00 -1.26 -4.75 120.51 128.23 3hxj n ALA 212 Ca -0.04 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.04 3hxj n ALA 212 Cb 0.47 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 18.76 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 1.45 0.22 3.61 0.00 0.00 -1.26 -4.72 105.19 104.49 3hxj n GLY 213 Ca 0.07 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.06 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 -1.54 -0.09 0.69 1.61 6.14 -1.26 -4.70 117.35 118.20 3hxj s TYR 214 Ca 0.00 0.05 -0.15 0.00 0.64 0.00 0.00 57.07 57.60 3hxj s TYR 214 Cb 0.00 0.52 0.02 0.00 0.42 0.00 0.00 41.96 42.91 3hxj s TYR 214 CO 0.00 -0.17 1.16 1.67 0.64 0.00 0.00 175.55 178.85 3hxj s TRP 215 N -2.34 2.34 -0.14 4.97 -2.14 -1.26 -4.75 118.94 115.62 3hxj s TRP 215 Ca 0.11 1.58 -0.11 0.00 2.66 0.00 0.00 56.10 60.34 3hxj s TRP 215 Cb -0.00 -3.32 -0.05 0.00 -3.10 0.00 0.00 33.47 27.00 3hxj s TRP 215 CO -0.04 -2.14 0.21 0.99 -2.66 0.00 0.00 176.95 173.31 3hxj s THR 216 N -2.14 5.37 0.00 0.66 2.01 0.40 -4.68 115.64 117.26 3hxj s THR 216 Ca 0.71 0.37 0.00 0.00 0.31 0.00 0.00 61.69 63.08 3hxj s THR 216 Cb -0.25 -3.52 0.00 0.00 0.01 0.00 0.00 72.50 68.74 3hxj s THR 216 CO 0.43 0.51 0.43 1.33 -0.69 0.00 0.00 174.62 176.62 3hxj n VAL 217 N 2.78 0.17 -4.29 3.82 0.24 -1.26 -4.06 118.33 115.73 3hxj n VAL 217 Ca -0.16 -0.36 -0.17 0.00 -2.04 0.00 0.00 64.34 61.61 3hxj n VAL 217 Cb 0.53 1.23 -0.10 0.00 -1.47 0.00 0.00 33.84 34.03 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 -0.17 1.43 0.42 3.34 -4.23 -1.26 -4.51 115.64 110.65 3hxj s THR 218 Ca 0.00 -2.04 -0.22 0.00 -1.18 0.00 0.00 61.69 58.25 3hxj s THR 218 Cb 0.00 -1.85 -0.10 0.00 1.34 0.00 0.00 72.50 71.88 3hxj s THR 218 CO 0.00 -0.61 0.96 0.00 -0.54 0.00 0.00 174.62 174.43 3hxj s ARG 219 N -3.46 4.24 0.64 3.99 1.70 -1.26 -4.73 118.95 120.06 3hxj s ARG 219 Ca 0.17 1.21 -0.14 0.00 -0.47 0.00 0.00 55.73 56.50 3hxj s ARG 219 Cb -0.00 -2.30 -0.01 0.00 -0.57 0.00 0.00 34.95 32.06 3hxj s ARG 219 CO 0.04 -0.03 1.07 -2.14 -1.08 0.00 0.00 175.30 173.16 3hxj s PRO 220 N -2.95 3.05 -0.17 3.89 0.02 -1.26 -4.62 135.00 132.96 3hxj s PRO 220 Ca 0.60 1.21 -0.01 0.00 0.02 0.00 0.00 61.00 62.83 3hxj s PRO 220 Cb -0.12 -1.99 -0.00 0.00 0.02 0.00 0.00 34.50 32.40 3hxj s PRO 220 CO 0.17 -1.03 -0.13 0.00 -0.33 0.00 0.00 177.00 175.67 3hxj s ALA 221 N -2.55 2.55 -0.21 -1.55 0.00 0.89 -4.26 121.76 116.64 3hxj s ALA 221 Ca 0.63 -1.08 -0.08 0.00 0.00 0.00 0.00 51.96 51.44 3hxj s ALA 221 Cb -0.17 -1.31 -0.04 0.00 0.00 0.00 0.00 23.12 21.60 3hxj s ALA 221 CO 0.42 -0.13 0.07 0.42 0.00 0.00 0.00 175.76 176.55 3hxj s ILE 222 N 0.97 4.72 0.71 0.00 1.01 0.16 0.50 121.20 129.27 3hxj s ILE 222 Ca -0.02 -0.05 -0.05 0.00 0.00 0.00 0.00 60.65 60.53 3hxj s ILE 222 Cb -0.15 -3.15 0.08 0.00 0.01 0.00 0.00 42.46 39.25 3hxj s ILE 222 CO -0.02 0.41 1.00 -0.94 0.00 0.00 0.00 174.94 175.40 3hxj s SER 223 N 0.77 4.63 0.37 3.58 1.04 -0.24 -4.86 113.70 118.99 3hxj s SER 223 Ca 0.04 0.20 0.05 0.00 0.48 0.00 0.00 55.95 56.72 3hxj s SER 223 Cb -0.13 -0.78 0.71 0.00 0.10 0.00 0.00 66.02 65.92 3hxj s SER 223 CO 0.02 -1.69 1.98 -0.33 0.98 0.00 0.00 173.24 174.20 3hxj h GLU 224 N -0.58 0.60 0.00 4.02 4.39 -1.99 -1.14 114.58 119.88 3hxj h GLU 224 Ca -0.42 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.21 3hxj h GLU 224 Cb 1.30 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 29.83 3hxj h GLU 224 CO 0.53 0.48 0.00 -3.47 -1.16 0.00 0.00 179.01 175.38 3hxj n ASP 225 N -4.40 0.24 0.00 1.42 2.03 -1.26 -4.86 116.55 109.73 3hxj n ASP 225 Ca 0.03 0.55 0.00 0.00 0.52 0.00 0.00 54.79 55.90 3hxj n ASP 225 Cb 0.12 -0.61 0.00 0.00 -0.72 0.00 0.00 41.12 39.92 3hxj n ASP 225 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3hxj n GLY 226 N 0.23 0.74 3.75 0.27 0.00 -0.43 -4.96 105.19 104.79 3hxj n GLY 226 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.41 3.32 -0.28 2.61 2.01 -1.26 -4.02 115.64 115.61 3hxj s THR 227 Ca 0.00 1.23 -0.09 0.00 0.31 0.00 0.00 61.69 63.14 3hxj s THR 227 Cb 0.00 -3.78 -0.03 0.00 0.01 0.00 0.00 72.50 68.70 3hxj s THR 227 CO 0.00 0.25 0.13 -0.63 -0.69 0.00 0.00 174.62 173.68 3hxj s ILE 228 N -0.70 4.68 -0.10 1.82 -1.09 0.51 -1.08 121.20 125.23 3hxj s ILE 228 Ca 0.49 -0.16 -0.03 0.00 -2.23 0.00 0.00 60.65 58.72 3hxj s ILE 228 Cb -0.34 -3.27 -0.03 0.00 -1.58 0.00 0.00 42.46 37.24 3hxj s ILE 228 CO 0.42 0.22 0.03 -0.31 -1.23 0.00 0.00 174.94 174.08 3hxj s TYR 229 N 1.65 3.25 -0.14 3.97 2.02 0.18 -0.17 117.35 128.12 3hxj s TYR 229 Ca 0.06 0.25 -0.10 0.00 -0.37 0.00 0.00 57.07 56.91 3hxj s TYR 229 Cb -0.16 -1.83 0.04 0.00 -0.40 0.00 0.00 41.96 39.61 3hxj s TYR 229 CO 0.06 0.51 0.35 0.54 -1.57 0.00 0.00 175.55 175.44 3hxj s VAL 230 N -0.85 -0.02 0.52 0.71 0.11 -0.66 -0.07 120.40 120.13 3hxj s VAL 230 Ca 0.13 0.06 -0.05 0.00 -2.93 0.00 0.00 61.98 59.19 3hxj s VAL 230 Cb -0.12 -0.51 -0.02 0.00 -1.53 0.00 0.00 36.38 34.21 3hxj s VAL 230 CO 0.03 0.02 0.81 0.42 -3.33 0.00 0.00 175.10 173.05 3hxj s THR 231 N 0.78 4.35 0.07 5.04 -4.23 -1.26 -0.31 115.64 120.08 3hxj s THR 231 Ca -0.05 0.04 0.02 0.00 -1.18 0.00 0.00 61.69 60.53 3hxj s THR 231 Cb -0.06 -3.67 -0.03 0.00 1.34 0.00 0.00 72.50 70.08 3hxj s THR 231 CO -0.05 -0.65 -0.08 -0.55 -0.54 0.00 0.00 174.62 172.75 3hxj s SER 232 N -4.19 1.03 0.00 3.99 0.15 -0.43 -4.89 113.70 109.35 3hxj s SER 232 Ca 0.50 -0.73 0.20 0.00 0.70 0.00 0.00 55.95 56.62 3hxj s SER 232 Cb -0.10 0.05 0.88 0.00 -1.71 0.00 0.00 66.02 65.14 3hxj s SER 232 CO 0.44 -0.29 1.65 0.18 1.20 0.00 0.00 173.24 176.41 3hxj n LEU 233 N 0.87 0.00 -0.24 3.45 4.77 -1.25 -1.97 117.00 122.63 3hxj n LEU 233 Ca -0.19 0.48 0.11 0.00 -0.03 0.00 0.00 56.01 56.38 3hxj n LEU 233 Cb 0.57 -0.48 0.53 0.00 -2.33 0.00 0.00 43.42 41.71 3hxj n LEU 233 CO 0.24 -0.15 0.86 -0.90 -1.33 0.00 0.00 177.39 176.11 3hxj n ASP 234 N -1.48 0.73 0.00 -1.43 5.75 -1.26 -4.34 116.55 114.52 3hxj n ASP 234 Ca 0.05 -1.48 0.00 0.00 -0.01 0.00 0.00 54.79 53.35 3hxj n ASP 234 Cb 0.23 -0.04 0.00 0.00 -1.03 0.00 0.00 41.12 40.28 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 0.97 0.72 3.74 6.12 0.00 -0.94 -4.75 105.19 111.05 3hxj n GLY 235 Ca 0.16 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.65 2.94 -0.22 1.61 3.76 -1.26 -1.25 115.29 118.22 3hxj s HIS 236 Ca 0.00 -0.15 -0.05 0.00 -0.15 0.00 0.00 55.06 54.72 3hxj s HIS 236 Cb 0.00 -1.33 -0.02 0.00 1.11 0.00 0.00 32.58 32.34 3hxj s HIS 236 CO 0.00 0.56 -0.02 -1.17 -0.85 0.00 0.00 174.74 173.26 3hxj s LEU 237 N -3.66 3.06 -0.07 0.89 2.96 -0.29 -1.32 118.68 120.24 3hxj s LEU 237 Ca 0.32 -0.32 -0.04 0.00 -0.22 0.00 0.00 54.13 53.87 3hxj s LEU 237 Cb -0.08 -1.79 -0.04 0.00 0.50 0.00 0.00 46.19 44.79 3hxj s LEU 237 CO 0.22 -0.00 0.09 -0.31 -1.32 0.00 0.00 176.35 175.03 3hxj s TYR 238 N 1.39 3.40 -0.18 5.38 1.51 0.58 -1.16 117.35 128.27 3hxj s TYR 238 Ca 0.05 0.34 -0.00 0.00 -1.01 0.00 0.00 57.07 56.45 3hxj s TYR 238 Cb -0.14 -1.84 0.01 0.00 -0.11 0.00 0.00 41.96 39.87 3hxj s TYR 238 CO -0.01 0.61 -0.15 0.00 -1.11 0.00 0.00 175.55 174.89 3hxj s ALA 239 N -1.06 2.47 -0.10 3.71 0.00 -0.14 -1.66 121.76 124.98 3hxj s ALA 239 Ca 0.18 -1.16 0.03 0.00 0.00 0.00 0.00 51.96 51.01 3hxj s ALA 239 Cb -0.12 -1.29 -0.01 0.00 0.00 0.00 0.00 23.12 21.70 3hxj s ALA 239 CO 0.07 -0.27 -0.19 0.42 0.00 0.00 0.00 175.76 175.80 3hxj s ILE 240 N 1.18 2.54 0.60 0.00 1.01 0.76 0.18 121.20 127.47 3hxj s ILE 240 Ca 0.02 -0.86 -0.16 0.00 0.00 0.00 0.00 60.65 59.65 3hxj s ILE 240 Cb -0.14 -2.01 -0.03 0.00 0.01 0.00 0.00 42.46 40.29 3hxj s ILE 240 CO -0.07 0.55 1.06 0.20 0.00 0.00 0.00 174.94 176.68 3hxj s ASN 241 N 0.18 5.71 0.62 3.58 0.02 0.45 -0.37 114.94 125.13 3hxj s ASN 241 Ca -0.11 1.83 0.28 0.00 -1.02 0.00 0.00 52.86 53.84 3hxj s ASN 241 Cb -0.16 -2.53 1.46 0.00 0.02 0.00 0.00 41.25 40.04 3hxj s ASN 241 CO 0.06 -1.22 1.85 -0.65 0.02 0.00 0.00 177.10 177.17 3hxj h PRO 242 N 0.37 0.00 -0.13 -0.60 0.11 -1.88 0.26 132.00 130.12 3hxj h PRO 242 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3hxj h PRO 242 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3hxj h PRO 242 CO 0.57 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.96 3hxj n ASP 243 N -3.35 1.47 0.00 -2.05 5.68 -1.26 -4.92 116.55 112.12 3hxj n ASP 243 Ca 0.05 -1.65 0.00 0.00 -0.50 0.00 0.00 54.79 52.69 3hxj n ASP 243 Cb 0.60 -0.08 0.00 0.00 -1.14 0.00 0.00 41.12 40.50 3hxj n ASP 243 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3hxj n GLY 244 N 1.10 1.07 3.82 6.12 0.00 0.91 -4.99 105.19 113.22 3hxj n GLY 244 Ca 0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.49 4.45 0.10 2.61 -4.23 -1.25 -4.78 115.64 110.03 3hxj s THR 245 Ca 0.00 1.38 -0.31 0.00 -1.18 0.00 0.00 61.69 61.59 3hxj s THR 245 Cb 0.00 -3.63 -0.07 0.00 1.34 0.00 0.00 72.50 70.15 3hxj s THR 245 CO 0.00 -0.26 1.26 -0.70 -0.54 0.00 0.00 174.62 174.38 3hxj s GLU 246 N -3.06 4.40 -0.13 3.99 2.12 -1.26 -0.41 118.70 124.35 3hxj s GLU 246 Ca 0.59 1.88 -0.11 0.00 0.36 0.00 0.00 54.97 57.69 3hxj s GLU 246 Cb -0.10 -3.30 -0.26 0.00 0.26 0.00 0.00 34.13 30.74 3hxj s GLU 246 CO 0.15 -0.29 0.40 -0.22 -0.54 0.00 0.00 175.26 174.76 3hxj h LYS 247 N 6.57 0.23 0.00 4.30 3.64 -0.60 -3.45 116.57 127.26 3hxj h LYS 247 Ca -0.42 -0.39 0.00 0.00 -1.27 0.00 0.00 60.65 58.57 3hxj h LYS 247 Cb 1.21 0.14 0.00 0.00 -0.41 0.00 0.00 32.23 33.18 3hxj h LYS 247 CO 0.82 1.19 0.00 -2.67 -2.27 0.00 0.00 179.45 176.51 3hxj n TRP 248 N -3.74 0.00 -3.96 1.91 4.27 -1.14 -5.01 117.44 109.77 3hxj n TRP 248 Ca -0.30 0.00 -0.10 0.00 -3.89 0.00 0.00 57.50 53.21 3hxj n TRP 248 Cb 0.96 0.00 -0.12 0.00 -1.36 0.00 0.00 31.31 30.79 3hxj n TRP 248 CO 0.00 0.00 0.00 -0.98 -2.29 0.00 0.00 177.69 174.42 3hxj s ARG 249 N -2.00 0.24 -0.17 -2.67 1.70 -1.26 -0.97 118.95 113.82 3hxj s ARG 249 Ca 0.00 -0.44 0.01 0.00 -0.47 0.00 0.00 55.73 54.83 3hxj s ARG 249 Cb 0.00 0.04 0.01 0.00 -0.57 0.00 0.00 34.95 34.43 3hxj s ARG 249 CO 0.00 -0.02 -0.18 0.12 -1.08 0.00 0.00 175.30 174.14 3hxj s PHE 250 N -1.01 2.78 0.13 5.89 5.36 -0.31 -4.94 117.98 125.88 3hxj s PHE 250 Ca -0.11 -1.41 -0.14 0.00 -0.96 0.00 0.00 56.93 54.32 3hxj s PHE 250 Cb -0.07 -1.91 -0.07 0.00 -0.34 0.00 0.00 43.02 40.63 3hxj s PHE 250 CO -0.01 -0.69 0.52 0.21 -1.46 0.00 0.00 175.22 173.80 3hxj s LYS 251 N 1.14 3.94 0.00 10.12 2.20 -1.26 -1.14 119.74 134.74 3hxj s LYS 251 Ca 0.01 0.44 0.00 0.00 -0.36 0.00 0.00 55.97 56.06 3hxj s LYS 251 Cb -0.14 -2.95 0.00 0.00 -1.51 0.00 0.00 37.83 33.23 3hxj s LYS 251 CO -0.08 0.50 0.00 0.25 -0.36 0.00 0.00 175.35 175.66 3hxj n THR 252 N 0.84 0.00 -0.91 3.43 -2.24 -0.38 -4.99 114.28 110.03 3hxj n THR 252 Ca -0.06 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 3hxj n THR 252 Cb 0.52 0.43 0.00 0.00 -2.10 0.00 0.00 70.33 69.18 3hxj n THR 252 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hxj n GLY 253 N 1.00 0.48 3.03 3.38 0.00 -1.24 -4.98 105.19 106.85 3hxj n GLY 253 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.54 1.62 0.29 1.61 -0.14 -1.26 -4.97 119.74 116.35 3hxj s LYS 254 Ca 0.00 -0.41 -0.30 0.00 -1.36 0.00 0.00 55.97 53.90 3hxj s LYS 254 Cb 0.00 -1.36 -0.12 0.00 -1.68 0.00 0.00 37.83 34.67 3hxj s LYS 254 CO 0.00 0.05 1.49 2.89 -0.76 0.00 0.00 175.35 179.02 3hxj n ARG 255 N 3.72 2.41 -3.81 1.68 1.85 -1.26 -3.91 116.66 117.35 3hxj n ARG 255 Ca -0.22 0.86 -0.36 0.00 -1.00 0.00 0.00 57.85 57.12 3hxj n ARG 255 Cb 0.52 -2.57 -0.12 0.00 -1.05 0.00 0.00 32.46 29.24 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 -0.25 4.47 -0.96 8.89 -1.09 -0.83 -1.24 121.20 130.20 3hxj s ILE 256 Ca 0.63 -0.12 0.10 0.00 -2.23 0.00 0.00 60.65 59.03 3hxj s ILE 256 Cb -0.55 -3.08 0.22 0.00 -1.58 0.00 0.00 42.46 37.47 3hxj s ILE 256 CO 0.52 0.35 1.12 -0.62 -1.23 0.00 0.00 174.94 175.08 3hxj n GLU 257 N 4.66 2.19 -4.24 2.79 1.02 -1.26 -3.76 120.64 122.05 3hxj n GLU 257 Ca -0.16 -1.75 -0.18 0.00 -0.02 0.00 0.00 57.16 55.05 3hxj n GLU 257 Cb 0.52 -1.23 -0.11 0.00 -0.02 0.00 0.00 31.44 30.59 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 -0.96 2.01 0.77 1.62 1.04 -1.26 -4.91 113.70 112.02 3hxj s SER 258 Ca 0.18 -0.80 -0.11 0.00 0.48 0.00 0.00 55.95 55.71 3hxj s SER 258 Cb 0.10 -0.07 0.06 0.00 0.10 0.00 0.00 66.02 66.21 3hxj s SER 258 CO 0.14 -0.13 1.10 -0.44 0.98 0.00 0.00 173.24 174.88 3hxj s SER 259 N -2.41 4.41 0.37 7.02 0.01 -1.26 -4.73 113.70 117.10 3hxj s SER 259 Ca 0.08 1.88 -0.05 0.00 1.31 0.00 0.00 55.95 59.17 3hxj s SER 259 Cb -0.05 -2.53 -0.05 0.00 0.21 0.00 0.00 66.02 63.60 3hxj s SER 259 CO 0.03 -2.10 0.65 -2.16 0.41 0.00 0.00 173.24 170.07 3hxj s PRO 260 N -4.80 3.61 0.01 12.44 0.04 -1.26 -4.48 135.00 140.56 3hxj s PRO 260 Ca 0.62 0.08 0.04 0.00 0.04 0.00 0.00 61.00 61.78 3hxj s PRO 260 Cb -0.18 -2.54 -0.01 0.00 0.04 0.00 0.00 34.50 31.81 3hxj s PRO 260 CO 0.55 0.05 -0.13 0.54 0.04 0.00 0.00 177.00 178.05 3hxj s VAL 261 N -2.34 1.04 -0.19 -0.36 0.11 -0.11 -4.73 120.40 113.81 3hxj s VAL 261 Ca 0.45 -0.69 -0.06 0.00 -2.93 0.00 0.00 61.98 58.75 3hxj s VAL 261 Cb -0.10 -0.89 -0.03 0.00 -1.53 0.00 0.00 36.38 33.82 3hxj s VAL 261 CO 0.35 0.19 0.03 -0.63 -3.33 0.00 0.00 175.10 171.71 3hxj s ILE 262 N -0.48 4.33 0.60 7.04 1.01 -1.26 -0.13 121.20 132.32 3hxj s ILE 262 Ca 0.04 -0.19 -0.08 0.00 0.00 0.00 0.00 60.65 60.42 3hxj s ILE 262 Cb -0.06 -2.96 0.13 0.00 0.01 0.00 0.00 42.46 39.59 3hxj s ILE 262 CO 0.00 0.44 0.82 0.61 0.00 0.00 0.00 174.94 176.81 3hxj n GLY 263 N 3.92 -0.83 0.00 6.18 0.00 0.03 -4.95 105.19 109.54 3hxj n GLY 263 Ca -0.17 -1.78 0.10 0.00 0.00 0.00 0.00 46.02 44.18 3hxj n GLY 263 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3hxj n ASN 264 N -3.40 0.00 -1.25 1.61 3.02 -1.26 -2.49 115.26 111.49 3hxj n ASN 264 Ca 0.11 -0.14 0.09 0.00 -0.03 0.00 0.00 54.58 54.61 3hxj n ASN 264 Cb 0.38 -0.23 0.29 0.00 -0.61 0.00 0.00 39.78 39.62 3hxj n ASN 264 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3hxj n THR 265 N -1.23 1.62 -0.83 3.41 -2.24 -1.26 -4.91 114.28 108.84 3hxj n THR 265 Ca 0.11 -1.23 0.00 0.00 -2.27 0.00 0.00 64.05 60.66 3hxj n THR 265 Cb 0.15 0.20 0.00 0.00 -2.10 0.00 0.00 70.33 68.58 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 0.81 -1.55 -4.76 3.42 8.00 -1.04 -4.97 116.55 116.46 3hxj n ASP 266 Ca 0.22 0.00 -0.39 0.00 0.71 0.00 0.00 54.79 55.32 3hxj n ASP 266 Cb 0.76 -1.56 -0.05 0.00 -0.02 0.00 0.00 41.12 40.26 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 -2.12 3.63 -0.18 -3.53 2.01 -1.26 -4.26 115.64 109.93 3hxj s THR 267 Ca 0.00 1.56 -0.05 0.00 0.31 0.00 0.00 61.69 63.51 3hxj s THR 267 Cb 0.00 -3.96 -0.03 0.00 0.01 0.00 0.00 72.50 68.52 3hxj s THR 267 CO 0.00 0.31 0.00 -0.51 -0.69 0.00 0.00 174.62 173.74 3hxj s ILE 268 N -1.27 4.15 0.12 1.82 2.07 -0.04 -0.79 121.20 127.27 3hxj s ILE 268 Ca 0.46 -0.26 0.09 0.00 -1.41 0.00 0.00 60.65 59.54 3hxj s ILE 268 Cb -0.29 -2.86 -0.04 0.00 0.13 0.00 0.00 42.46 39.40 3hxj s ILE 268 CO 0.37 0.46 -0.17 -0.31 -1.91 0.00 0.00 174.94 173.37 3hxj s TYR 269 N 0.64 2.55 0.14 3.50 1.51 0.82 -0.40 117.35 126.10 3hxj s TYR 269 Ca -0.00 -0.26 -0.25 0.00 -1.01 0.00 0.00 57.07 55.55 3hxj s TYR 269 Cb -0.14 -1.34 0.07 0.00 -0.11 0.00 0.00 41.96 40.43 3hxj s TYR 269 CO 0.02 0.40 0.95 -0.59 -1.11 0.00 0.00 175.55 175.22 3hxj s PHE 270 N -1.18 -0.15 -0.01 2.71 -0.12 -0.87 -0.93 117.98 117.44 3hxj s PHE 270 Ca 0.18 -0.14 0.00 0.00 -0.05 0.00 0.00 56.93 56.93 3hxj s PHE 270 Cb -0.10 0.63 0.01 0.00 -0.63 0.00 0.00 43.02 42.92 3hxj s PHE 270 CO 0.10 -0.80 0.00 0.20 -0.05 0.00 0.00 175.22 174.67 3hxj s GLY 271 N -2.90 0.06 0.79 1.99 0.00 -1.26 -0.75 107.32 105.25 3hxj s GLY 271 Ca 0.12 0.04 -0.12 0.00 0.00 0.00 0.00 44.72 44.76 3hxj s GLY 271 CO 0.01 0.15 1.12 -1.35 0.00 0.00 0.00 173.10 173.03 3hxj s SER 272 N 0.25 4.65 0.43 1.64 1.04 -0.58 -4.51 113.70 116.62 3hxj s SER 272 Ca -0.02 1.08 0.20 0.00 0.48 0.00 0.00 55.95 57.69 3hxj s SER 272 Cb -0.03 -1.76 1.14 0.00 0.10 0.00 0.00 66.02 65.47 3hxj s SER 272 CO -0.01 -1.84 1.83 0.10 0.98 0.00 0.00 173.24 174.31 3hxj h TYR 273 N -1.00 0.50 -0.00 5.02 -0.00 -1.36 0.38 116.97 120.51 3hxj h TYR 273 Ca -0.47 0.02 0.00 0.00 -0.00 0.00 0.00 58.73 58.28 3hxj h TYR 273 Cb 1.29 -0.15 0.00 0.00 -0.00 0.00 0.00 36.73 37.87 3hxj h TYR 273 CO 0.42 0.11 0.00 -0.40 -0.00 0.00 0.00 178.16 178.28 3hxj n ASP 274 N -4.51 0.01 0.00 0.10 5.75 -1.26 -1.24 116.55 115.41 3hxj n ASP 274 Ca 0.21 -1.91 0.00 0.00 -0.01 0.00 0.00 54.79 53.08 3hxj n ASP 274 Cb 0.79 -0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.88 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 0.55 0.44 3.56 6.12 0.00 0.12 -3.83 105.19 112.15 3hxj n GLY 275 Ca 0.02 -0.74 -0.43 0.00 0.00 0.00 0.00 46.02 44.88 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 2.88 0.28 1.61 5.04 -1.24 -2.22 115.29 119.63 3hxj s HIS 276 Ca 0.00 0.34 -0.22 0.00 -1.54 0.00 0.00 55.06 53.65 3hxj s HIS 276 Cb 0.00 -4.05 -0.09 0.00 0.04 0.00 0.00 32.58 28.48 3hxj s HIS 276 CO 0.00 -1.18 0.82 -0.51 -2.34 0.00 0.00 174.74 171.53 3hxj s LEU 277 N 3.90 4.29 0.02 8.88 1.43 -0.35 -1.52 118.68 135.34 3hxj s LEU 277 Ca 0.37 1.58 0.02 0.00 -1.03 0.00 0.00 54.13 55.07 3hxj s LEU 277 Cb -0.10 -3.85 -0.02 0.00 0.03 0.00 0.00 46.19 42.25 3hxj s LEU 277 CO 0.26 -0.05 -0.06 -0.31 0.23 0.00 0.00 176.35 176.42 3hxj s TYR 278 N -1.64 0.52 -0.20 0.29 2.02 0.07 -1.30 117.35 117.11 3hxj s TYR 278 Ca 0.48 -0.37 -0.01 0.00 -0.37 0.00 0.00 57.07 56.80 3hxj s TYR 278 Cb -0.16 -0.32 0.05 0.00 -0.40 0.00 0.00 41.96 41.13 3hxj s TYR 278 CO 0.21 -0.07 -0.03 0.00 -1.57 0.00 0.00 175.55 174.09 3hxj s ALA 279 N -0.98 1.54 -0.06 3.71 0.00 0.24 -2.04 121.76 124.17 3hxj s ALA 279 Ca -0.07 -1.01 0.03 0.00 0.00 0.00 0.00 51.96 50.91 3hxj s ALA 279 Cb -0.07 -1.27 -0.03 0.00 0.00 0.00 0.00 23.12 21.75 3hxj s ALA 279 CO 0.00 -1.07 -0.13 0.42 0.00 0.00 0.00 175.76 174.98 3hxj s ILE 280 N 1.60 3.16 0.62 0.00 1.09 0.47 0.97 121.20 129.10 3hxj s ILE 280 Ca -0.03 -0.68 -0.13 0.00 -1.10 0.00 0.00 60.65 58.71 3hxj s ILE 280 Cb -0.17 -2.25 -0.03 0.00 -1.06 0.00 0.00 42.46 38.94 3hxj s ILE 280 CO -0.07 0.59 1.03 0.20 -0.10 0.00 0.00 174.94 176.59 3hxj s ASN 281 N -0.65 5.98 0.61 3.58 0.01 0.11 -0.86 114.94 123.72 3hxj s ASN 281 Ca 0.10 1.58 0.30 0.00 -0.71 0.00 0.00 52.86 54.12 3hxj s ASN 281 Cb -0.11 -2.50 1.63 0.00 0.41 0.00 0.00 41.25 40.68 3hxj s ASN 281 CO 0.01 -1.04 2.02 -0.65 -1.51 0.00 0.00 177.10 175.93 3hxj h PRO 282 N -0.05 0.00 -0.01 -0.60 0.11 -1.87 0.33 132.00 129.92 3hxj h PRO 282 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3hxj h PRO 282 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3hxj h PRO 282 CO 0.59 0.00 -0.01 -0.40 -0.21 0.00 0.00 178.00 177.98 3hxj n ASP 283 N -3.59 0.84 0.00 -2.05 5.75 -1.26 -4.90 116.55 111.33 3hxj n ASP 283 Ca 0.03 -1.25 0.00 0.00 -0.01 0.00 0.00 54.79 53.56 3hxj n ASP 283 Cb 0.43 -0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.52 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 1.11 1.44 3.80 6.12 0.00 0.11 -5.03 105.19 112.73 3hxj n GLY 284 Ca 0.21 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.38 4.06 0.08 2.61 -4.23 -1.26 -4.76 115.64 109.76 3hxj s THR 285 Ca 0.00 1.46 -0.30 0.00 -1.18 0.00 0.00 61.69 61.67 3hxj s THR 285 Cb 0.00 -3.69 -0.06 0.00 1.34 0.00 0.00 72.50 70.09 3hxj s THR 285 CO 0.00 -0.11 1.11 -0.70 -0.54 0.00 0.00 174.62 174.38 3hxj s GLU 286 N -2.73 4.52 -0.15 3.99 2.12 -1.26 0.07 118.70 125.26 3hxj s GLU 286 Ca 0.59 1.66 -0.15 0.00 0.36 0.00 0.00 54.97 57.43 3hxj s GLU 286 Cb -0.16 -3.35 -0.24 0.00 0.26 0.00 0.00 34.13 30.64 3hxj s GLU 286 CO 0.21 -0.10 0.37 -0.22 -0.54 0.00 0.00 175.26 174.99 3hxj h LYS 287 N 6.26 0.15 -1.54 4.30 3.64 0.28 -3.46 116.57 126.21 3hxj h LYS 287 Ca -0.42 -0.26 0.24 0.00 -1.27 0.00 0.00 60.65 58.94 3hxj h LYS 287 Cb 1.21 0.10 -0.18 0.00 -0.41 0.00 0.00 32.23 32.95 3hxj h LYS 287 CO 0.77 1.13 0.79 1.67 -2.27 0.00 0.00 179.45 181.53 3hxj s TRP 288 N -2.45 -0.14 0.00 1.91 1.48 -0.95 -4.84 118.94 113.95 3hxj s TRP 288 Ca -0.24 0.09 -0.02 0.00 -1.06 0.00 0.00 56.10 54.87 3hxj s TRP 288 Cb 0.05 0.52 -0.01 0.00 -1.16 0.00 0.00 33.47 32.87 3hxj s TRP 288 CO 0.70 -0.23 0.02 0.54 -4.06 0.00 0.00 176.95 173.92 3hxj s ASN 289 N -2.22 0.09 -0.07 -2.66 4.22 -0.11 -0.59 114.94 113.60 3hxj s ASN 289 Ca 0.09 -0.21 -0.02 0.00 -2.14 0.00 0.00 52.86 50.58 3hxj s ASN 289 Cb -0.01 0.11 0.03 0.00 1.28 0.00 0.00 41.25 42.66 3hxj s ASN 289 CO -0.05 -0.19 0.04 0.12 -2.04 0.00 0.00 177.10 174.98 3hxj s PHE 290 N -0.82 0.32 -0.55 1.54 5.36 -0.42 -0.63 117.98 122.79 3hxj s PHE 290 Ca -0.09 0.01 -0.28 0.00 -0.96 0.00 0.00 56.93 55.61 3hxj s PHE 290 Cb -0.06 -0.63 0.03 0.00 -0.34 0.00 0.00 43.02 42.02 3hxj s PHE 290 CO -0.00 -0.28 1.16 -1.21 -1.46 0.00 0.00 175.22 173.42 3hxj s GLU 291 N 2.09 3.56 0.18 10.12 2.02 -1.26 -1.21 118.70 134.19 3hxj s GLU 291 Ca 0.04 0.31 -0.04 0.00 0.02 0.00 0.00 54.97 55.30 3hxj s GLU 291 Cb -0.13 -3.99 0.07 0.00 0.10 0.00 0.00 34.13 30.19 3hxj s GLU 291 CO -0.05 -1.58 1.47 1.15 0.02 0.00 0.00 175.26 176.27 3hxj h THR 292 N 6.17 1.33 0.00 3.63 2.02 -1.74 -3.47 112.91 120.85 3hxj h THR 292 Ca -0.24 -1.88 0.00 0.00 0.77 0.00 0.00 66.41 65.05 3hxj h THR 292 Cb 1.06 1.86 0.00 0.00 -1.74 0.00 0.00 68.15 69.33 3hxj h THR 292 CO 1.16 0.58 0.00 0.61 0.37 0.00 0.00 175.52 178.25 3hxj n GLY 293 N 0.36 0.76 2.96 2.16 0.00 -1.26 -5.00 105.19 105.17 3hxj n GLY 293 Ca -0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.52 2.68 0.39 1.61 0.01 -1.25 -5.01 113.70 109.61 3hxj s SER 294 Ca 0.00 -0.53 -0.25 0.00 1.31 0.00 0.00 55.95 56.48 3hxj s SER 294 Cb 0.00 -1.04 -0.11 0.00 0.21 0.00 0.00 66.02 65.08 3hxj s SER 294 CO 0.00 -0.11 1.10 0.79 0.41 0.00 0.00 173.24 175.43 3hxj n TRP 295 N 4.83 1.54 -4.66 2.43 7.02 -1.26 -3.37 117.44 123.97 3hxj n TRP 295 Ca -0.14 0.56 -0.24 0.00 -1.02 0.00 0.00 57.50 56.66 3hxj n TRP 295 Cb 0.49 -2.29 -0.16 0.00 -2.42 0.00 0.00 31.31 26.93 3hxj n TRP 295 CO 0.00 0.00 0.00 0.42 -2.02 0.00 0.00 177.69 176.09 3hxj s ILE 296 N -1.21 1.19 0.00 -0.99 1.01 -0.37 -0.80 121.20 120.03 3hxj s ILE 296 Ca 0.61 -0.57 0.00 0.00 0.00 0.00 0.00 60.65 60.70 3hxj s ILE 296 Cb -0.57 -1.04 0.00 0.00 0.01 0.00 0.00 42.46 40.86 3hxj s ILE 296 CO 0.58 0.35 0.00 0.00 0.00 0.00 0.00 174.94 175.87 3hxj n ILE 297 N 3.33 0.00 -2.28 2.92 0.13 -1.26 -4.31 119.36 117.89 3hxj n ILE 297 Ca -0.19 0.00 -0.35 0.00 -1.10 0.00 0.00 62.75 61.11 3hxj n ILE 297 Cb 0.53 -0.33 -0.00 0.00 -0.84 0.00 0.00 39.64 39.00 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 -1.33 2.75 0.28 1.51 0.00 -1.26 -4.47 121.76 119.23 3hxj s ALA 298 Ca 0.00 0.83 -0.29 0.00 0.00 0.00 0.00 51.96 52.50 3hxj s ALA 298 Cb 0.00 -3.36 -0.09 0.00 0.00 0.00 0.00 23.12 19.67 3hxj s ALA 298 CO 0.00 -0.72 1.02 0.99 0.00 0.00 0.00 175.76 177.05 3hxj s THR 299 N -1.75 3.81 0.85 0.00 2.01 -1.26 -4.77 115.64 114.53 3hxj s THR 299 Ca 0.71 1.75 -0.11 0.00 0.31 0.00 0.00 61.69 64.35 3hxj s THR 299 Cb -0.24 -4.09 0.10 0.00 0.01 0.00 0.00 72.50 68.29 3hxj s THR 299 CO 0.27 0.36 1.10 -2.16 -0.69 0.00 0.00 174.62 173.50 3hxj s PRO 300 N -1.49 1.61 0.16 4.92 0.04 -1.26 -4.77 135.00 134.20 3hxj s PRO 300 Ca 0.45 1.09 0.00 0.00 0.04 0.00 0.00 61.00 62.58 3hxj s PRO 300 Cb -0.27 -1.83 -0.04 0.00 0.04 0.00 0.00 34.50 32.39 3hxj s PRO 300 CO 0.35 -2.07 0.04 0.14 0.04 0.00 0.00 177.00 175.49 3hxj s VAL 301 N -2.86 0.38 0.03 -0.36 -7.23 -0.69 -4.60 120.40 105.07 3hxj s VAL 301 Ca 0.63 -1.95 0.02 0.00 -1.81 0.00 0.00 61.98 58.87 3hxj s VAL 301 Cb -0.18 -2.12 -0.02 0.00 0.56 0.00 0.00 36.38 34.62 3hxj s VAL 301 CO 0.57 -0.44 -0.07 -0.51 -0.31 0.00 0.00 175.10 174.34 3hxj s ILE 302 N -3.86 0.47 0.58 -0.62 2.07 -0.35 0.16 121.20 119.65 3hxj s ILE 302 Ca 0.25 -0.96 0.09 0.00 -1.41 0.00 0.00 60.65 58.62 3hxj s ILE 302 Cb 0.07 -0.53 0.08 0.00 0.13 0.00 0.00 42.46 42.21 3hxj s ILE 302 CO 0.04 -0.34 0.74 1.51 -1.91 0.00 0.00 174.94 174.97 3hxj s ASP 303 N -1.41 4.98 0.00 4.50 3.84 -0.42 -1.30 116.67 126.87 3hxj s ASP 303 Ca -0.09 -0.95 0.07 0.00 -0.00 0.00 0.00 52.55 51.57 3hxj s ASP 303 Cb -0.09 0.39 0.34 0.00 -1.38 0.00 0.00 42.92 42.18 3hxj s ASP 303 CO 0.00 -1.34 1.12 -0.62 -0.00 0.00 0.00 175.17 174.33 3hxj n GLU 304 N -2.18 0.07 0.00 2.11 1.02 -1.26 -1.18 120.64 119.22 3hxj n GLU 304 Ca 0.13 0.26 0.11 0.00 -0.02 0.00 0.00 57.16 57.65 3hxj n GLU 304 Cb 0.62 -1.50 0.04 0.00 -0.02 0.00 0.00 31.44 30.58 3hxj n GLU 304 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3hxj n ASN 305 N -1.34 2.46 0.00 1.62 5.03 -1.26 -4.94 115.26 116.82 3hxj n ASN 305 Ca 0.03 -1.73 0.00 0.00 0.87 0.00 0.00 54.58 53.75 3hxj n ASN 305 Cb 0.06 0.27 0.00 0.00 -1.02 0.00 0.00 39.78 39.09 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 1.39 0.70 3.70 7.41 0.00 -0.33 -4.95 105.19 113.11 3hxj n GLY 306 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.20 4.84 -0.15 2.61 2.01 -1.26 -4.62 115.64 116.87 3hxj s THR 307 Ca 0.00 2.04 -0.11 0.00 0.31 0.00 0.00 61.69 63.93 3hxj s THR 307 Cb 0.00 -4.31 -0.05 0.00 0.01 0.00 0.00 72.50 68.15 3hxj s THR 307 CO 0.00 0.10 0.20 -0.63 -0.69 0.00 0.00 174.62 173.60 3hxj s ILE 308 N 1.40 5.38 -0.08 1.82 1.01 -0.70 -1.30 121.20 128.73 3hxj s ILE 308 Ca 0.50 0.35 0.04 0.00 0.00 0.00 0.00 60.65 61.54 3hxj s ILE 308 Cb -0.20 -3.52 -0.02 0.00 0.01 0.00 0.00 42.46 38.74 3hxj s ILE 308 CO 0.24 0.49 -0.19 -0.31 0.00 0.00 0.00 174.94 175.17 3hxj s TYR 309 N -0.13 2.61 -0.29 3.97 2.02 0.12 0.36 117.35 126.02 3hxj s TYR 309 Ca 0.14 -0.57 0.03 0.00 -0.37 0.00 0.00 57.07 56.29 3hxj s TYR 309 Cb -0.12 -1.68 0.07 0.00 -0.40 0.00 0.00 41.96 39.83 3hxj s TYR 309 CO 0.03 -0.12 -0.05 -0.06 -1.57 0.00 0.00 175.55 173.78 3hxj s PHE 310 N -0.15 3.42 0.03 2.71 0.08 -0.51 -1.70 117.98 121.85 3hxj s PHE 310 Ca -0.02 -2.49 -0.25 0.00 0.12 0.00 0.00 56.93 54.29 3hxj s PHE 310 Cb -0.14 -2.26 -0.05 0.00 -0.57 0.00 0.00 43.02 40.00 3hxj s PHE 310 CO 0.04 -0.90 0.77 0.20 -0.10 0.00 0.00 175.22 175.23 3hxj s GLY 311 N 1.08 2.77 0.30 4.36 0.00 -1.26 -1.67 107.32 112.91 3hxj s GLY 311 Ca -0.03 0.28 0.07 0.00 0.00 0.00 0.00 44.72 45.04 3hxj s GLY 311 CO -0.05 1.13 0.34 -0.51 0.00 0.00 0.00 173.10 174.00 3hxj s THR 312 N 0.09 4.15 0.23 0.90 -4.23 -0.61 -4.35 115.64 111.82 3hxj s THR 312 Ca 0.39 -1.20 -0.07 0.00 -1.18 0.00 0.00 61.69 59.63 3hxj s THR 312 Cb -0.20 -3.40 0.18 0.00 1.34 0.00 0.00 72.50 70.42 3hxj s THR 312 CO 0.23 -0.23 1.82 0.03 -0.54 0.00 0.00 174.62 175.92 3hxj h ARG 313 N 1.18 1.20 -0.02 3.99 3.08 -1.27 -2.77 114.38 119.75 3hxj h ARG 313 Ca -0.47 -0.19 0.00 0.00 0.07 0.00 0.00 59.98 59.40 3hxj h ARG 313 Cb 1.25 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 31.09 3hxj h ARG 313 CO 0.58 0.93 0.00 0.27 -1.07 0.00 0.00 179.97 180.68 3hxj n ASN 314 N -4.30 0.02 0.00 7.04 2.04 -1.26 -4.84 115.26 113.97 3hxj n ASN 314 Ca 0.08 -1.55 0.00 0.00 -0.44 0.00 0.00 54.58 52.67 3hxj n ASN 314 Cb 0.15 -0.01 0.00 0.00 -2.53 0.00 0.00 39.78 37.39 3hxj n ASN 314 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 3hxj n GLY 315 N 0.27 0.75 3.97 4.83 0.00 -1.05 -5.07 105.19 108.89 3hxj n GLY 315 Ca 0.00 0.00 -0.22 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 -0.50 2.33 -0.01 1.61 1.02 -1.26 -4.64 119.74 118.29 3hxj s LYS 316 Ca 0.00 -0.73 -0.02 0.00 0.02 0.00 0.00 55.97 55.25 3hxj s LYS 316 Cb 0.00 -2.40 0.00 0.00 -0.52 0.00 0.00 37.83 34.91 3hxj s LYS 316 CO 0.00 -0.94 0.04 -0.06 -0.92 0.00 0.00 175.35 173.47 3hxj s PHE 317 N -2.92 -0.01 -0.21 3.18 0.40 0.22 -1.57 117.98 117.07 3hxj s PHE 317 Ca 0.59 0.04 0.01 0.00 -0.60 0.00 0.00 56.93 56.97 3hxj s PHE 317 Cb -0.10 -0.01 0.03 0.00 0.51 0.00 0.00 43.02 43.45 3hxj s PHE 317 CO 0.41 -0.05 -0.16 0.71 0.70 0.00 0.00 175.22 176.83 3hxj s TYR 318 N -0.19 2.94 -0.17 0.36 1.51 -0.67 0.67 117.35 121.79 3hxj s TYR 318 Ca -0.02 -1.77 -0.14 0.00 -1.01 0.00 0.00 57.07 54.13 3hxj s TYR 318 Cb -0.02 -1.95 -0.04 0.00 -0.11 0.00 0.00 41.96 39.84 3hxj s TYR 318 CO 0.00 -0.81 0.31 0.00 -1.11 0.00 0.00 175.55 173.95 3hxj s ALA 319 N 1.26 3.58 -0.15 3.71 0.00 -0.09 -1.43 121.76 128.64 3hxj s ALA 319 Ca 0.01 -0.49 -0.04 0.00 0.00 0.00 0.00 51.96 51.44 3hxj s ALA 319 Cb -0.15 -2.45 -0.03 0.00 0.00 0.00 0.00 23.12 20.48 3hxj s ALA 319 CO -0.10 -0.02 0.01 -0.51 0.00 0.00 0.00 175.76 175.14 3hxj s LEU 320 N 0.70 3.52 -0.11 0.00 1.02 0.16 -0.97 118.68 123.00 3hxj s LEU 320 Ca 0.17 0.01 0.03 0.00 0.02 0.00 0.00 54.13 54.36 3hxj s LEU 320 Cb -0.13 -1.85 -0.00 0.00 0.02 0.00 0.00 46.19 44.22 3hxj s LEU 320 CO 0.05 0.22 -0.21 -0.36 0.02 0.00 0.00 176.35 176.08 3hxj s PHE 321 N 0.05 2.63 -2.24 0.29 0.08 0.96 -1.73 117.98 118.03 3hxj s PHE 321 Ca 0.02 -0.92 0.30 0.00 0.12 0.00 0.00 56.93 56.46 3hxj s PHE 321 Cb -0.13 -1.75 1.49 0.00 -0.57 0.00 0.00 43.02 42.07 3hxj s PHE 321 CO 0.02 -0.35 2.00 0.09 -0.10 0.00 0.00 175.22 176.87