#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hux n ARG 7 N 0.00 0.00 0.21 1.97 0.00 -1.26 -4.98 116.66 112.60 3hux n ARG 7 Ca 0.00 0.00 0.10 0.00 -0.00 0.00 0.00 57.85 57.95 3hux n ARG 7 Cb 0.00 0.00 0.30 0.00 0.00 0.00 0.00 32.46 32.76 3hux n ARG 7 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 177.63 177.73 3hux h TYR 8 N 0.00 0.00 0.03 -0.14 -0.00 -2.04 -3.33 116.97 111.49 3hux h TYR 8 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 58.73 58.75 3hux h TYR 8 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 36.73 36.68 3hux h TYR 8 CO 0.00 0.17 -0.50 -0.09 -0.00 0.00 0.00 178.16 177.75 3hux h ARG 9 N 0.00 -0.64 0.00 0.10 1.12 -1.98 2.70 114.38 115.68 3hux h ARG 9 Ca -0.00 0.04 0.00 0.00 -1.11 0.00 0.00 59.98 58.91 3hux h ARG 9 Cb 0.94 0.15 0.00 0.00 -0.01 0.00 0.00 29.97 31.05 3hux h ARG 9 CO 0.02 -0.43 0.00 0.00 -3.11 0.00 0.00 179.97 176.45 3hux n ALA 10 N -2.93 1.73 -0.07 2.80 0.00 -1.25 -1.52 120.51 119.26 3hux n ALA 10 Ca -0.07 -0.06 -0.11 0.00 0.00 0.00 0.00 53.44 53.20 3hux n ALA 10 Cb 0.40 -1.22 -0.15 0.00 0.00 0.00 0.00 19.45 18.48 3hux n ALA 10 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3hux n LEU 11 N -1.35 0.81 0.18 0.00 7.94 0.11 -4.32 117.00 120.37 3hux n LEU 11 Ca 0.05 0.13 0.12 0.00 -1.11 0.00 0.00 56.01 55.20 3hux n LEU 11 Cb 0.12 0.12 0.16 0.00 0.53 0.00 0.00 43.42 44.35 3hux n LEU 11 CO 0.11 0.54 0.64 0.25 -1.11 0.00 0.00 177.39 177.82 3hux h LEU 12 N 0.01 0.00 -1.24 -1.96 5.85 0.56 -3.18 115.31 115.34 3hux h LEU 12 Ca -0.46 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.25 3hux h LEU 12 Cb 2.12 0.00 0.00 0.00 0.37 0.00 0.00 40.66 43.15 3hux h LEU 12 CO 0.04 0.00 0.00 -0.33 -0.34 0.00 0.00 178.44 177.81 3hux h GLU 13 N 0.00 0.00 -1.02 1.25 5.08 -1.63 -2.83 114.58 115.43 3hux h GLU 13 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3hux h GLU 13 Cb 0.96 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.21 3hux h GLU 13 CO 0.00 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 179.64 3hux n LYS 14 N -2.67 0.94 -3.70 2.33 5.02 -1.20 -4.67 118.16 114.22 3hux n LYS 14 Ca 0.01 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.16 3hux n LYS 14 Cb 0.24 -1.16 -0.14 0.00 -0.02 0.00 0.00 35.03 33.94 3hux n LYS 14 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3hux s VAL 15 N -0.26 -0.21 -0.82 -0.18 1.01 -1.07 -4.93 120.40 113.94 3hux s VAL 15 Ca 0.00 0.25 -0.21 0.00 0.00 0.00 0.00 61.98 62.02 3hux s VAL 15 Cb 0.00 -0.35 0.09 0.00 0.00 0.00 0.00 36.38 36.12 3hux s VAL 15 CO 0.00 0.10 1.11 -0.62 0.00 0.00 0.00 175.10 175.70 3hux s ASP 16 N 1.87 6.40 0.62 3.32 -1.08 -1.26 -4.89 116.67 121.65 3hux s ASP 16 Ca -0.03 -1.45 0.27 0.00 -0.52 0.00 0.00 52.55 50.81 3hux s ASP 16 Cb -0.12 -2.44 1.34 0.00 -1.46 0.00 0.00 42.92 40.25 3hux s ASP 16 CO -0.07 -1.32 1.76 1.55 0.52 0.00 0.00 175.17 177.61 3hux h PRO 17 N 9.32 0.00 0.03 4.34 0.13 -1.97 -2.46 132.00 141.40 3hux h PRO 17 Ca -0.04 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.76 3hux h PRO 17 Cb 1.04 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.13 3hux h PRO 17 CO 1.19 0.00 -1.80 0.09 -0.23 0.00 0.00 178.00 177.25 3hux n ASN 18 N -3.31 1.96 -4.23 1.44 3.02 -1.26 -5.01 115.26 107.86 3hux n ASN 18 Ca 0.06 0.30 -0.34 0.00 -0.03 0.00 0.00 54.58 54.58 3hux n ASN 18 Cb 0.71 -0.87 0.12 0.00 -0.61 0.00 0.00 39.78 39.14 3hux n ASN 18 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 3hux n LYS 19 N -4.06 -0.91 -3.94 3.52 4.81 -0.93 -5.04 118.16 111.62 3hux n LYS 19 Ca -0.38 -0.25 -0.25 0.00 -0.87 0.00 0.00 58.31 56.57 3hux n LYS 19 Cb 0.84 -1.54 -0.17 0.00 0.02 0.00 0.00 35.03 34.18 3hux n LYS 19 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 3hux s VAL 20 N -2.20 0.81 0.76 3.15 -7.23 -1.26 -4.94 120.40 109.49 3hux s VAL 20 Ca 0.51 -0.17 -0.01 0.00 -1.81 0.00 0.00 61.98 60.50 3hux s VAL 20 Cb -0.10 -0.86 0.15 0.00 0.56 0.00 0.00 36.38 36.13 3hux s VAL 20 CO 0.68 0.32 1.04 -0.31 -0.31 0.00 0.00 175.10 176.52 3hux s TYR 21 N 1.64 1.23 -0.50 2.82 1.51 -1.25 -4.91 117.35 117.89 3hux s TYR 21 Ca 0.02 -0.38 0.07 0.00 -1.01 0.00 0.00 57.07 55.78 3hux s TYR 21 Cb -0.13 -3.02 0.35 0.00 -0.11 0.00 0.00 41.96 39.06 3hux s TYR 21 CO -0.06 -1.90 0.90 0.25 -1.11 0.00 0.00 175.55 173.62 3hux n THR 22 N -2.93 2.03 0.00 -0.71 -2.24 -1.26 -2.62 114.28 106.55 3hux n THR 22 Ca 0.17 -5.19 0.00 0.00 -2.27 0.00 0.00 64.05 56.76 3hux n THR 22 Cb 0.61 -1.00 0.00 0.00 -2.10 0.00 0.00 70.33 67.84 3hux n THR 22 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 3hux n ILE 23 N -0.10 0.00 -0.34 2.28 5.41 -1.26 -3.06 119.36 122.28 3hux n ILE 23 Ca 0.29 0.00 0.00 0.00 1.00 0.00 0.00 62.75 64.04 3hux n ILE 23 Cb 0.50 0.00 0.06 0.00 -0.71 0.00 0.00 39.64 39.49 3hux n ILE 23 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 176.55 176.99 3hux h ASP 24 N 0.00 -1.22 -0.81 4.38 3.32 -1.94 0.88 116.42 121.05 3hux h ASP 24 Ca 0.00 0.29 0.18 0.00 0.02 0.00 0.00 57.03 57.52 3hux h ASP 24 Cb 0.00 0.68 -0.12 0.00 0.22 0.00 0.00 39.33 40.11 3hux h ASP 24 CO 0.00 -0.30 0.26 -0.33 -1.72 0.00 0.00 179.24 177.15 3hux h GLU 25 N -0.02 0.31 -0.07 3.56 5.08 -1.92 0.69 114.58 122.20 3hux h GLU 25 Ca 0.36 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.70 3hux h GLU 25 Cb 0.62 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.80 3hux h GLU 25 CO -0.94 0.21 0.00 0.00 -1.00 0.00 0.00 179.01 177.28 3hux n ALA 26 N -2.61 2.57 -0.06 3.43 0.00 0.27 -3.42 120.51 120.69 3hux n ALA 26 Ca 0.17 -0.39 -0.04 0.00 0.00 0.00 0.00 53.44 53.18 3hux n ALA 26 Cb 0.54 -1.20 -0.03 0.00 0.00 0.00 0.00 19.45 18.76 3hux n ALA 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hux h ALA 27 N 4.05 0.02 -0.99 0.00 0.00 0.38 0.53 119.26 123.25 3hux h ALA 27 Ca 0.00 -0.29 0.10 0.00 0.00 0.00 0.00 54.91 54.72 3hux h ALA 27 Cb 0.34 0.21 -0.08 0.00 0.00 0.00 0.00 17.79 18.27 3hux h ALA 27 CO 0.00 0.21 0.63 0.07 0.00 0.00 0.00 179.25 180.16 3hux h ARG 28 N -1.00 1.02 0.02 0.00 -0.00 -1.62 -2.53 114.38 110.26 3hux h ARG 28 Ca -0.02 -0.06 -0.00 0.00 -0.00 0.00 0.00 59.98 59.90 3hux h ARG 28 Cb 0.35 -0.23 0.00 0.00 -0.00 0.00 0.00 29.97 30.09 3hux h ARG 28 CO -0.01 0.67 -0.01 1.25 -0.00 0.00 0.00 179.97 181.87 3hux h LEU 29 N 1.05 -0.03 -1.74 0.08 5.85 -1.66 -3.20 115.31 115.65 3hux h LEU 29 Ca 0.46 -0.40 0.00 0.00 0.84 0.00 0.00 57.88 58.78 3hux h LEU 29 Cb 0.36 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.40 3hux h LEU 29 CO -0.22 0.39 0.40 1.62 -0.34 0.00 0.00 178.44 180.29 3hux h VAL 30 N -0.44 0.00 0.08 1.05 3.04 0.51 0.45 116.25 120.94 3hux h VAL 30 Ca -0.00 0.00 -0.29 0.00 -1.01 0.00 0.00 66.70 65.40 3hux h VAL 30 Cb 0.42 0.58 -0.02 0.00 -2.01 0.00 0.00 31.29 30.26 3hux h VAL 30 CO 0.01 0.00 -1.49 0.11 -1.01 0.00 0.00 177.57 175.18 3hux h LYS 31 N 0.00 0.16 0.00 4.17 1.57 -1.54 -3.08 116.57 117.86 3hux h LYS 31 Ca 0.00 -0.28 0.00 0.00 -1.87 0.00 0.00 60.65 58.50 3hux h LYS 31 Cb 0.80 0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.21 3hux h LYS 31 CO 0.00 0.98 0.00 0.39 -0.57 0.00 0.00 179.45 180.25 3hux n GLU 32 N -3.36 0.24 0.07 3.15 1.02 0.14 -3.44 120.64 118.46 3hux n GLU 32 Ca -0.14 0.21 -0.21 0.00 -0.02 0.00 0.00 57.16 56.99 3hux n GLU 32 Cb 1.03 -1.79 -0.14 0.00 -0.02 0.00 0.00 31.44 30.52 3hux n GLU 32 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 3hux h LEU 33 N 0.00 0.60 -9.45 -4.62 3.38 -1.04 -3.45 115.31 100.72 3hux h LEU 33 Ca 0.00 -0.91 -0.60 0.00 0.09 0.00 0.00 57.88 56.46 3hux h LEU 33 Cb 0.71 -0.19 -0.08 0.00 0.09 0.00 0.00 40.66 41.19 3hux h LEU 33 CO 0.00 1.46 -0.26 0.00 0.09 0.00 0.00 178.44 179.73 3hux s ALA 34 N -2.60 3.63 -0.29 1.53 0.00 -1.17 -4.69 121.76 118.16 3hux s ALA 34 Ca -0.12 -0.34 0.02 0.00 0.00 0.00 0.00 51.96 51.51 3hux s ALA 34 Cb 0.02 -2.41 0.19 0.00 0.00 0.00 0.00 23.12 20.93 3hux s ALA 34 CO 0.86 0.24 0.57 0.95 0.00 0.00 0.00 175.76 178.39 3hux s THR 35 N -0.10 -0.96 0.20 0.00 -4.23 -1.26 -4.86 115.64 104.42 3hux s THR 35 Ca 0.20 -0.02 0.02 0.00 -1.18 0.00 0.00 61.69 60.72 3hux s THR 35 Cb -0.14 -0.99 -0.01 0.00 1.34 0.00 0.00 72.50 72.70 3hux s THR 35 CO 0.08 -0.02 0.22 0.00 -0.54 0.00 0.00 174.62 174.36 3hux n ALA 36 N 5.42 0.15 -1.74 3.99 0.00 -1.26 -5.04 120.51 122.03 3hux n ALA 36 Ca 0.01 -1.06 -0.36 0.00 0.00 0.00 0.00 53.44 52.03 3hux n ALA 36 Cb 0.52 0.86 0.02 0.00 0.00 0.00 0.00 19.45 20.84 3hux n ALA 36 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3hux n LYS 37 N -0.36 2.63 0.00 0.00 4.01 -1.26 -4.84 118.16 118.34 3hux n LYS 37 Ca 0.03 -3.14 0.00 0.00 -0.51 0.00 0.00 58.31 54.69 3hux n LYS 37 Cb 0.35 -2.22 0.00 0.00 -0.51 0.00 0.00 35.03 32.65 3hux n LYS 37 CO 0.00 0.00 0.00 1.97 -1.11 0.00 0.00 177.40 178.26 3hux n PHE 38 N -0.16 0.00 -2.20 2.13 1.16 -1.26 -5.11 117.46 112.01 3hux n PHE 38 Ca 0.53 0.00 -0.43 0.00 -1.87 0.00 0.00 57.45 55.68 3hux n PHE 38 Cb 0.35 0.00 -0.02 0.00 -1.61 0.00 0.00 39.48 38.20 3hux n PHE 38 CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 3hux s ASP 39 N 0.00 6.43 0.22 5.98 -1.08 -1.26 -4.99 116.67 121.97 3hux s ASP 39 Ca 0.00 1.44 -0.24 0.00 -0.52 0.00 0.00 52.55 53.23 3hux s ASP 39 Cb 0.00 -2.53 -0.08 0.00 -1.46 0.00 0.00 42.92 38.84 3hux s ASP 39 CO 0.00 -1.25 0.80 -1.61 0.52 0.00 0.00 175.17 173.64 3hux s GLU 40 N 4.61 4.49 -0.04 4.34 8.01 -1.26 -4.83 118.70 134.02 3hux s GLU 40 Ca 0.67 1.12 -0.20 0.00 0.01 0.00 0.00 54.97 56.57 3hux s GLU 40 Cb -0.22 -3.05 -0.05 0.00 -4.31 0.00 0.00 34.13 26.51 3hux s GLU 40 CO 0.28 0.45 0.57 0.99 0.01 0.00 0.00 175.26 177.56 3hux s THR 41 N -1.37 5.00 -0.34 3.63 2.01 -1.26 0.12 115.64 123.43 3hux s THR 41 Ca 0.41 1.17 -0.29 0.00 0.31 0.00 0.00 61.69 63.29 3hux s THR 41 Cb -0.20 -3.90 0.00 0.00 0.01 0.00 0.00 72.50 68.41 3hux s THR 41 CO 0.24 0.39 1.39 -0.69 -0.69 0.00 0.00 174.62 175.26 3hux s VAL 42 N 0.06 3.98 0.46 3.82 1.01 0.42 0.31 120.40 130.47 3hux s VAL 42 Ca 0.30 1.07 -0.03 0.00 0.00 0.00 0.00 61.98 63.32 3hux s VAL 42 Cb -0.17 -4.13 -0.02 0.00 0.00 0.00 0.00 36.38 32.06 3hux s VAL 42 CO 0.15 -0.58 0.72 -1.61 0.00 0.00 0.00 175.10 173.79 3hux s GLU 43 N 4.57 3.35 -0.05 2.72 2.02 -0.99 -0.13 118.70 130.19 3hux s GLU 43 Ca 0.60 -0.09 -0.03 0.00 0.02 0.00 0.00 54.97 55.48 3hux s GLU 43 Cb -0.16 -2.46 0.03 0.00 0.10 0.00 0.00 34.13 31.63 3hux s GLU 43 CO 0.28 -0.21 0.13 0.08 0.02 0.00 0.00 175.26 175.56 3hux s VAL 44 N -2.64 -0.03 0.10 2.63 1.01 -1.14 -1.33 120.40 118.99 3hux s VAL 44 Ca 0.47 0.11 0.06 0.00 0.00 0.00 0.00 61.98 62.62 3hux s VAL 44 Cb -0.10 -0.20 -0.03 0.00 0.00 0.00 0.00 36.38 36.04 3hux s VAL 44 CO 0.42 0.05 -0.14 -1.00 0.00 0.00 0.00 175.10 174.42 3hux s HIS 45 N 0.74 1.32 -0.30 5.22 3.76 -1.26 -0.79 115.29 123.98 3hux s HIS 45 Ca -0.06 -0.52 -0.10 0.00 -0.15 0.00 0.00 55.06 54.24 3hux s HIS 45 Cb -0.07 -0.71 0.15 0.00 1.11 0.00 0.00 32.58 33.05 3hux s HIS 45 CO -0.03 0.10 0.73 0.00 -0.85 0.00 0.00 174.74 174.68 3hux s ALA 46 N -1.75 -2.27 -0.86 -1.40 0.00 -0.86 -0.87 121.76 113.75 3hux s ALA 46 Ca 0.04 2.17 -0.25 0.00 0.00 0.00 0.00 51.96 53.92 3hux s ALA 46 Cb -0.07 -1.93 0.01 0.00 0.00 0.00 0.00 23.12 21.13 3hux s ALA 46 CO 0.03 -1.02 1.62 0.21 0.00 0.00 0.00 175.76 176.59 3hux s LYS 47 N 2.80 3.06 0.33 0.00 2.20 0.91 -2.99 119.74 126.05 3hux s LYS 47 Ca -0.01 -0.40 -0.26 0.00 -0.36 0.00 0.00 55.97 54.94 3hux s LYS 47 Cb -0.11 -4.85 -0.10 0.00 -1.51 0.00 0.00 37.83 31.26 3hux s LYS 47 CO -0.19 -2.60 0.98 -0.51 -0.36 0.00 0.00 175.35 172.67 3hux s LEU 48 N 7.23 4.34 -1.10 5.43 1.43 -1.12 -0.54 118.68 134.35 3hux s LEU 48 Ca 0.54 1.93 -0.20 0.00 -1.03 0.00 0.00 54.13 55.36 3hux s LEU 48 Cb -0.06 -3.98 0.08 0.00 0.03 0.00 0.00 46.19 42.25 3hux s LEU 48 CO 0.03 -0.15 1.49 -0.83 0.23 0.00 0.00 176.35 177.12 3hux s GLY 49 N -1.50 1.54 0.32 -3.19 0.00 -0.48 -4.79 107.32 99.22 3hux s GLY 49 Ca 0.51 -2.59 -0.09 0.00 0.00 0.00 0.00 44.72 42.55 3hux s GLY 49 CO 0.27 2.56 0.55 -0.26 0.00 0.00 0.00 173.10 176.22 3hux s ILE 50 N 4.22 0.00 -0.20 0.90 -5.25 -1.26 -4.65 121.20 114.96 3hux s ILE 50 Ca 0.46 -1.40 0.00 0.00 -0.99 0.00 0.00 60.65 58.73 3hux s ILE 50 Cb 0.00 -2.56 0.02 0.00 2.95 0.00 0.00 42.46 42.88 3hux s ILE 50 CO -0.04 0.00 -0.15 -0.62 -1.79 0.00 0.00 174.94 172.34 3hux s ASP 51 N -3.13 3.57 0.16 4.36 -1.08 -1.26 -4.92 116.67 114.36 3hux s ASP 51 Ca 0.24 -0.70 -0.22 0.00 -0.52 0.00 0.00 52.55 51.36 3hux s ASP 51 Cb -0.02 -1.55 0.05 0.00 -1.46 0.00 0.00 42.92 39.95 3hux s ASP 51 CO 0.15 -0.03 1.62 -0.65 0.52 0.00 0.00 175.17 176.78 3hux h PRO 52 N 7.96 -0.21 0.00 4.34 0.11 -1.92 -0.21 132.00 142.07 3hux h PRO 52 Ca -0.41 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.71 3hux h PRO 52 Cb 1.13 0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3hux h PRO 52 CO 0.61 -0.14 0.54 0.00 -0.21 0.00 0.00 178.00 178.80 3hux h ARG 53 N -0.22 0.00 -4.63 1.05 3.08 -1.95 -3.23 114.38 108.48 3hux h ARG 53 Ca 0.16 0.00 -0.74 0.00 0.07 0.00 0.00 59.98 59.47 3hux h ARG 53 Cb 0.47 0.00 -0.19 0.00 0.08 0.00 0.00 29.97 30.32 3hux h ARG 53 CO -0.44 0.00 1.02 1.03 -1.07 0.00 0.00 179.97 180.51 3hux s ARG 54 N -3.84 3.94 0.16 0.04 0.52 -0.09 -4.89 118.95 114.78 3hux s ARG 54 Ca -0.02 -2.42 0.05 0.00 -0.52 0.00 0.00 55.73 52.82 3hux s ARG 54 Cb 0.05 -4.92 0.49 0.00 0.52 0.00 0.00 34.95 31.09 3hux s ARG 54 CO 0.15 -1.67 0.77 0.43 0.02 0.00 0.00 175.30 174.99 3hux n SER 55 N 5.44 0.04 -0.22 0.23 7.64 -1.22 -0.10 113.62 125.43 3hux n SER 55 Ca 0.30 0.82 -0.06 0.00 1.01 0.00 0.00 58.87 60.94 3hux n SER 55 Cb 0.44 -0.34 0.04 0.00 -1.01 0.00 0.00 64.21 63.34 3hux n SER 55 CO 0.00 0.00 0.00 -2.24 -3.01 0.00 0.00 175.04 169.79 3hux h ASP 56 N 0.00 0.76 0.38 6.43 2.03 -1.90 -3.21 116.42 120.91 3hux h ASP 56 Ca 0.35 -0.07 0.00 0.00 -0.73 0.00 0.00 57.03 56.57 3hux h ASP 56 Cb 0.82 -0.19 0.00 0.00 -0.83 0.00 0.00 39.33 39.12 3hux h ASP 56 CO -0.42 0.61 0.00 0.00 -1.03 0.00 0.00 179.24 178.40 3hux n GLN 57 N -4.59 0.29 -1.73 4.15 6.02 0.86 -4.84 117.38 117.54 3hux n GLN 57 Ca 0.04 0.09 -0.39 0.00 -0.01 0.00 0.00 57.00 56.74 3hux n GLN 57 Cb 0.07 -1.50 0.04 0.00 1.02 0.00 0.00 30.24 29.87 3hux n GLN 57 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 3hux n ASN 58 N -1.28 2.57 -4.19 1.08 5.03 -1.22 -4.73 115.26 112.53 3hux n ASN 58 Ca 0.10 0.97 -0.37 0.00 0.87 0.00 0.00 54.58 56.15 3hux n ASN 58 Cb 0.16 -1.56 -0.12 0.00 -1.02 0.00 0.00 39.78 37.24 3hux n ASN 58 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 3hux s VAL 59 N -1.29 3.54 -0.30 2.41 1.01 -1.26 -4.99 120.40 119.51 3hux s VAL 59 Ca 0.71 -1.65 0.03 0.00 0.00 0.00 0.00 61.98 61.08 3hux s VAL 59 Cb -0.42 -3.23 0.08 0.00 0.00 0.00 0.00 36.38 32.81 3hux s VAL 59 CO 0.49 -0.47 -0.02 -0.60 0.00 0.00 0.00 175.10 174.50 3hux s ARG 60 N 1.27 1.87 -0.11 2.72 6.06 -1.26 -2.04 118.95 127.47 3hux s ARG 60 Ca 0.03 -1.61 -0.28 0.00 -2.50 0.00 0.00 55.73 51.36 3hux s ARG 60 Cb -0.22 -3.06 0.07 0.00 0.06 0.00 0.00 34.95 31.79 3hux s ARG 60 CO -0.01 -0.76 0.67 0.20 -2.50 0.00 0.00 175.30 172.89 3hux s GLY 61 N 1.02 -0.54 0.46 8.12 0.00 -1.25 -4.51 107.32 110.62 3hux s GLY 61 Ca 0.01 1.45 0.07 0.00 0.00 0.00 0.00 44.72 46.25 3hux s GLY 61 CO -0.06 1.12 0.33 -0.51 0.00 0.00 0.00 173.10 173.98 3hux s THR 62 N -0.76 2.16 -0.18 0.90 -4.23 -1.26 -3.00 115.64 109.27 3hux s THR 62 Ca -0.08 -1.50 -0.12 0.00 -1.18 0.00 0.00 61.69 58.81 3hux s THR 62 Cb -0.02 -2.67 0.06 0.00 1.34 0.00 0.00 72.50 71.21 3hux s THR 62 CO 0.07 0.00 0.46 0.54 -0.54 0.00 0.00 174.62 175.15 3hux s VAL 63 N -2.63 -0.02 -0.28 2.29 0.11 -0.64 -4.95 120.40 114.28 3hux s VAL 63 Ca 0.40 0.06 -0.25 0.00 -2.93 0.00 0.00 61.98 59.26 3hux s VAL 63 Cb -0.01 -0.66 0.00 0.00 -1.53 0.00 0.00 36.38 34.18 3hux s VAL 63 CO 0.24 0.02 0.86 -0.44 -3.33 0.00 0.00 175.10 172.45 3hux s SER 64 N 1.09 6.79 0.08 3.54 0.01 -1.25 -1.86 113.70 122.09 3hux s SER 64 Ca -0.07 0.91 -0.19 0.00 1.31 0.00 0.00 55.95 57.91 3hux s SER 64 Cb -0.06 -2.45 -0.07 0.00 0.21 0.00 0.00 66.02 63.65 3hux s SER 64 CO -0.10 -0.62 0.56 -0.76 0.41 0.00 0.00 173.24 172.73 3hux s LEU 65 N 3.03 4.50 0.18 2.44 1.43 1.20 -4.90 118.68 126.57 3hux s LEU 65 Ca 0.36 1.23 -0.11 0.00 -1.03 0.00 0.00 54.13 54.58 3hux s LEU 65 Cb -0.14 -2.92 0.09 0.00 0.03 0.00 0.00 46.19 43.24 3hux s LEU 65 CO 0.11 0.26 1.72 1.55 0.23 0.00 0.00 176.35 180.21 3hux h PRO 66 N 4.44 0.98 0.00 1.29 0.13 -1.94 -3.40 132.00 133.49 3hux h PRO 66 Ca -0.50 -0.20 0.00 0.00 -0.87 0.00 0.00 66.00 64.43 3hux h PRO 66 Cb 1.21 -0.15 0.00 0.00 0.13 0.00 0.00 31.00 32.20 3hux h PRO 66 CO 0.63 0.85 0.00 0.72 -0.23 0.00 0.00 178.00 179.97 3hux n HIS 67 N -4.38 -0.32 -0.26 1.56 8.25 -1.26 -5.06 115.22 113.74 3hux n HIS 67 Ca 0.04 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.53 3hux n HIS 67 Cb 0.20 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.30 3hux n HIS 67 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3hux n GLY 68 N 5.00 -0.33 1.52 -1.41 0.00 -1.26 -4.79 105.19 103.93 3hux n GLY 68 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.83 3hux n GLY 68 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3hux n LEU 69 N -1.17 -5.49 0.00 0.99 0.00 -1.26 -4.31 117.00 105.76 3hux n LEU 69 Ca 0.00 2.59 -0.00 0.00 0.00 0.00 0.00 56.01 58.60 3hux n LEU 69 Cb 0.53 -2.36 -0.00 0.00 0.00 0.00 0.00 43.42 41.59 3hux n LEU 69 CO 0.00 -0.66 -0.00 0.61 0.00 0.00 0.00 177.39 177.34 3hux n GLY 70 N 0.51 4.03 0.64 -3.96 0.00 -1.23 -4.27 105.19 100.91 3hux n GLY 70 Ca 0.00 -1.72 0.00 0.00 0.00 0.00 0.00 46.02 44.30 3hux n GLY 70 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hux n LYS 71 N -0.01 0.48 0.00 1.61 5.02 -1.24 -3.86 118.16 120.15 3hux n LYS 71 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3hux n LYS 71 Cb 0.01 -1.25 0.00 0.00 -0.02 0.00 0.00 35.03 33.77 3hux n LYS 71 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 3hux n GLN 72 N 0.40 0.47 -4.46 1.97 6.02 -1.26 -4.64 117.38 115.88 3hux n GLN 72 Ca 0.00 0.00 -0.20 0.00 -0.01 0.00 0.00 57.00 56.79 3hux n GLN 72 Cb 0.15 -1.20 -0.15 0.00 1.02 0.00 0.00 30.24 30.06 3hux n GLN 72 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3hux s VAL 73 N -1.14 0.91 -0.44 5.09 1.01 -1.25 -5.03 120.40 119.56 3hux s VAL 73 Ca 0.00 -0.57 -0.13 0.00 0.00 0.00 0.00 61.98 61.28 3hux s VAL 73 Cb 0.00 -0.78 0.07 0.00 0.00 0.00 0.00 36.38 35.67 3hux s VAL 73 CO 0.00 0.20 0.32 -0.13 0.00 0.00 0.00 175.10 175.49 3hux s ARG 74 N -0.43 2.83 -0.16 2.72 3.00 -1.26 -4.92 118.95 120.73 3hux s ARG 74 Ca 0.04 -1.33 -0.08 0.00 0.00 0.00 0.00 55.73 54.35 3hux s ARG 74 Cb -0.05 -3.96 -0.04 0.00 0.00 0.00 0.00 34.95 30.90 3hux s ARG 74 CO -0.00 -0.95 0.13 0.08 0.00 0.00 0.00 175.30 174.57 3hux s VAL 75 N 1.56 5.45 -0.23 3.52 1.01 -1.26 -0.42 120.40 130.02 3hux s VAL 75 Ca 0.03 0.20 -0.06 0.00 0.00 0.00 0.00 61.98 62.15 3hux s VAL 75 Cb -0.23 -3.43 -0.02 0.00 0.00 0.00 0.00 36.38 32.70 3hux s VAL 75 CO 0.05 0.53 0.03 -0.22 0.00 0.00 0.00 175.10 175.49 3hux s LEU 76 N -0.35 3.27 -0.40 3.92 2.96 -1.16 -3.49 118.68 123.43 3hux s LEU 76 Ca 0.11 -0.25 -0.14 0.00 -0.22 0.00 0.00 54.13 53.63 3hux s LEU 76 Cb -0.12 -1.86 0.02 0.00 0.50 0.00 0.00 46.19 44.73 3hux s LEU 76 CO 0.01 -0.01 0.28 0.00 -1.32 0.00 0.00 176.35 175.30 3hux s ALA 77 N 1.46 3.44 -0.53 5.97 0.00 -0.89 -1.06 121.76 130.15 3hux s ALA 77 Ca 0.05 -1.70 -0.14 0.00 0.00 0.00 0.00 51.96 50.17 3hux s ALA 77 Cb -0.15 -2.81 0.13 0.00 0.00 0.00 0.00 23.12 20.29 3hux s ALA 77 CO 0.01 -1.41 0.47 0.42 0.00 0.00 0.00 175.76 175.25 3hux s ILE 78 N 1.66 4.96 0.28 0.00 1.01 -1.03 -2.97 121.20 125.10 3hux s ILE 78 Ca 0.04 -1.60 -0.04 0.00 0.00 0.00 0.00 60.65 59.05 3hux s ILE 78 Cb -0.19 -4.20 -0.01 0.00 0.01 0.00 0.00 42.46 38.07 3hux s ILE 78 CO 0.09 -0.85 0.37 0.00 0.00 0.00 0.00 174.94 174.56 3hux s ALA 79 N 1.51 0.65 0.17 9.38 0.00 -1.26 -3.22 121.76 128.99 3hux s ALA 79 Ca 0.04 -1.42 0.08 0.00 0.00 0.00 0.00 51.96 50.67 3hux s ALA 79 Cb -0.29 1.21 -0.04 0.00 0.00 0.00 0.00 23.12 24.01 3hux s ALA 79 CO 0.02 -0.75 -0.09 0.15 0.00 0.00 0.00 175.76 175.09 3hux s LYS 80 N -3.65 2.10 1.32 0.00 1.02 -1.26 -2.83 119.74 116.44 3hux s LYS 80 Ca 0.31 -1.21 0.00 0.00 0.02 0.00 0.00 55.97 55.09 3hux s LYS 80 Cb 0.02 -2.20 0.00 0.00 -0.52 0.00 0.00 37.83 35.12 3hux s LYS 80 CO 0.15 0.45 0.00 0.41 -0.92 0.00 0.00 175.35 175.44 3hux n GLY 81 N 0.13 -1.77 0.02 -3.33 0.00 -1.26 -3.87 105.19 95.11 3hux n GLY 81 Ca -0.11 -1.47 0.05 0.00 0.00 0.00 0.00 46.02 44.49 3hux n GLY 81 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3hux n GLU 82 N 0.00 1.03 -0.29 1.61 -0.00 -1.26 -3.29 120.64 118.44 3hux n GLU 82 Ca 0.00 -0.04 0.14 0.00 -0.00 0.00 0.00 57.16 57.25 3hux n GLU 82 Cb 0.00 -1.14 0.39 0.00 -0.00 0.00 0.00 31.44 30.68 3hux n GLU 82 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.13 178.00 3hux h LYS 83 N 0.08 0.64 -0.46 3.44 1.79 -1.95 0.49 116.57 120.59 3hux h LYS 83 Ca 0.00 -0.04 0.09 0.00 -2.18 0.00 0.00 60.65 58.52 3hux h LYS 83 Cb 0.02 -0.15 -0.07 0.00 -1.58 0.00 0.00 32.23 30.45 3hux h LYS 83 CO 0.00 0.43 0.01 0.82 -1.08 0.00 0.00 179.45 179.62 3hux h ILE 84 N 0.66 0.65 -0.91 1.86 2.04 -1.80 0.22 117.51 120.23 3hux h ILE 84 Ca 0.49 -0.04 0.08 0.00 1.00 0.00 0.00 64.86 66.39 3hux h ILE 84 Cb 0.86 0.52 -0.07 0.00 -0.74 0.00 0.00 36.82 37.39 3hux h ILE 84 CO -0.25 0.02 0.56 0.11 0.00 0.00 0.00 178.15 178.60 3hux h LYS 85 N 0.12 0.95 -0.23 2.37 1.79 -0.29 0.84 116.57 122.12 3hux h LYS 85 Ca 0.23 -0.06 -0.08 0.00 -2.18 0.00 0.00 60.65 58.57 3hux h LYS 85 Cb 0.34 -0.22 -0.01 0.00 -1.58 0.00 0.00 32.23 30.77 3hux h LYS 85 CO -0.38 0.63 -0.15 1.49 -1.08 0.00 0.00 179.45 179.96 3hux h GLU 86 N 0.98 0.51 0.98 3.15 4.81 -0.89 -1.87 114.58 122.24 3hux h GLU 86 Ca 0.41 -0.24 -0.05 0.00 -0.13 0.00 0.00 59.36 59.35 3hux h GLU 86 Cb 0.26 -0.01 0.01 0.00 0.63 0.00 0.00 28.75 29.65 3hux h GLU 86 CO -0.20 0.80 -0.47 0.00 -0.73 0.00 0.00 179.01 178.41 3hux h ALA 87 N 0.70 -1.31 -0.89 2.92 0.00 0.36 0.23 119.26 121.26 3hux h ALA 87 Ca 0.05 -0.29 0.15 0.00 0.00 0.00 0.00 54.91 54.82 3hux h ALA 87 Cb 0.67 0.51 -0.09 0.00 0.00 0.00 0.00 17.79 18.87 3hux h ALA 87 CO 0.04 -1.22 0.49 1.05 0.00 0.00 0.00 179.25 179.61 3hux h GLU 88 N -1.35 0.67 0.00 0.00 4.11 0.57 0.83 114.58 119.41 3hux h GLU 88 Ca -0.13 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 59.26 3hux h GLU 88 Cb 1.00 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.10 3hux h GLU 88 CO 0.22 0.44 0.00 -1.91 0.07 0.00 0.00 179.01 177.83 3hux n GLU 89 N -4.83 0.17 0.07 1.06 4.07 -0.70 -2.59 120.64 117.89 3hux n GLU 89 Ca 0.18 0.28 -0.16 0.00 -0.06 0.00 0.00 57.16 57.39 3hux n GLU 89 Cb 0.45 -1.75 -0.14 0.00 -0.06 0.00 0.00 31.44 29.93 3hux n GLU 89 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3hux h ALA 90 N 2.48 0.25 0.00 4.31 0.00 0.40 -3.48 119.26 123.23 3hux h ALA 90 Ca 0.00 -1.07 0.00 0.00 0.00 0.00 0.00 54.91 53.84 3hux h ALA 90 Cb 0.50 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.52 3hux h ALA 90 CO 0.00 1.12 0.00 0.41 0.00 0.00 0.00 179.25 180.78 3hux n GLY 91 N 1.64 0.75 2.84 0.00 0.00 0.02 -4.22 105.19 106.22 3hux n GLY 91 Ca -0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.45 3hux n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hux n ALA 92 N 0.00 5.39 -0.06 4.61 0.00 -0.86 -4.78 120.51 124.82 3hux n ALA 92 Ca 0.00 -4.21 0.03 0.00 0.00 0.00 0.00 53.44 49.27 3hux n ALA 92 Cb 0.00 -3.12 0.07 0.00 0.00 0.00 0.00 19.45 16.40 3hux n ALA 92 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3hux n ASP 93 N 4.44 0.01 -4.15 0.00 9.92 -1.23 -3.61 116.55 121.93 3hux n ASP 93 Ca 0.43 0.28 -0.27 0.00 -0.53 0.00 0.00 54.79 54.70 3hux n ASP 93 Cb 0.37 -0.11 -0.16 0.00 -0.64 0.00 0.00 41.12 40.57 3hux n ASP 93 CO 0.00 0.00 0.00 -0.31 0.13 0.00 0.00 177.20 177.02 3hux s TYR 94 N -4.67 1.86 0.02 1.24 2.02 -1.23 -5.08 117.35 111.51 3hux s TYR 94 Ca -0.02 -0.58 0.01 0.00 -0.37 0.00 0.00 57.07 56.11 3hux s TYR 94 Cb 0.05 -1.26 -0.02 0.00 -0.40 0.00 0.00 41.96 40.34 3hux s TYR 94 CO 0.13 -0.21 -0.05 0.08 -1.57 0.00 0.00 175.55 173.93 3hux s VAL 95 N 0.12 0.29 0.00 0.71 1.01 -1.24 -2.10 120.40 119.20 3hux s VAL 95 Ca -0.07 -0.72 0.00 0.00 0.00 0.00 0.00 61.98 61.20 3hux s VAL 95 Cb -0.13 -0.36 0.00 0.00 0.00 0.00 0.00 36.38 35.89 3hux s VAL 95 CO 0.03 -0.28 0.00 0.61 0.00 0.00 0.00 175.10 175.46 3hux n GLY 96 N 2.00 4.09 0.00 4.51 0.00 -1.16 -4.95 105.19 109.68 3hux n GLY 96 Ca -0.20 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.12 3hux n GLY 96 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hux n GLY 97 N 0.00 -1.83 0.56 -0.02 0.00 -1.13 -4.10 105.19 98.66 3hux n GLY 97 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.73 3hux n GLY 97 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3hux n GLU 98 N 0.00 0.44 -0.03 1.61 0.00 -1.26 -1.64 120.64 119.76 3hux n GLU 98 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 57.16 57.12 3hux n GLU 98 Cb 0.00 -1.23 -0.05 0.00 0.00 0.00 0.00 31.44 30.16 3hux n GLU 98 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 3hux n GLU 99 N 0.34 2.71 0.18 3.44 4.71 -1.26 -4.46 120.64 126.30 3hux n GLU 99 Ca 0.00 0.00 0.08 0.00 -0.01 0.00 0.00 57.16 57.23 3hux n GLU 99 Cb 0.12 -1.17 0.11 0.00 -1.01 0.00 0.00 31.44 29.49 3hux n GLU 99 CO 0.00 0.00 0.00 0.82 0.09 0.00 0.00 177.13 178.04 3hux h ILE 100 N 0.00 0.41 -0.11 -3.67 2.04 -1.46 -2.97 117.51 111.75 3hux h ILE 100 Ca -0.19 -1.57 0.03 0.00 1.00 0.00 0.00 64.86 64.13 3hux h ILE 100 Cb 1.41 2.19 -0.00 0.00 -0.74 0.00 0.00 36.82 39.68 3hux h ILE 100 CO 0.01 0.23 0.09 0.40 0.00 0.00 0.00 178.15 178.88 3hux h ILE 101 N 0.00 0.81 -0.31 -0.67 2.04 -1.76 0.15 117.51 117.78 3hux h ILE 101 Ca -0.00 0.00 -0.12 0.00 1.00 0.00 0.00 64.86 65.73 3hux h ILE 101 Cb 1.18 0.94 -0.01 0.00 -0.74 0.00 0.00 36.82 38.18 3hux h ILE 101 CO 0.03 0.00 -0.32 1.56 0.00 0.00 0.00 178.15 179.42 3hux h GLN 102 N 0.00 0.67 0.54 2.37 1.08 -1.78 0.37 115.11 118.36 3hux h GLN 102 Ca 0.05 -0.30 -0.03 0.00 -1.45 0.00 0.00 58.65 56.92 3hux h GLN 102 Cb 0.23 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.65 3hux h GLN 102 CO -0.00 0.90 -0.27 0.87 -0.95 0.00 0.00 178.83 179.38 3hux h LYS 103 N 0.57 -0.71 0.00 1.46 1.79 -0.83 -1.86 116.57 116.99 3hux h LYS 103 Ca 0.06 0.05 0.03 0.00 -2.18 0.00 0.00 60.65 58.61 3hux h LYS 103 Cb 0.82 0.16 -0.03 0.00 -1.58 0.00 0.00 32.23 31.60 3hux h LYS 103 CO 0.07 -0.47 -0.17 0.82 -1.08 0.00 0.00 179.45 178.62 3hux h ILE 104 N -0.73 0.60 -0.93 1.86 2.04 -1.49 -2.51 117.51 116.35 3hux h ILE 104 Ca -0.07 0.00 0.21 0.00 1.00 0.00 0.00 64.86 66.00 3hux h ILE 104 Cb 0.56 0.60 -0.12 0.00 -0.74 0.00 0.00 36.82 37.13 3hux h ILE 104 CO 0.12 0.00 0.48 0.25 0.00 0.00 0.00 178.15 178.99 3hux h LEU 105 N -0.27 0.51 -7.72 1.44 5.85 -0.30 -3.27 115.31 111.54 3hux h LEU 105 Ca 0.05 0.13 -0.71 0.00 0.84 0.00 0.00 57.88 58.19 3hux h LEU 105 Cb 0.34 0.07 -0.33 0.00 0.37 0.00 0.00 40.66 41.11 3hux h LEU 105 CO -0.16 0.10 -0.36 -1.81 -0.34 0.00 0.00 178.44 175.87 3hux s ASP 106 N -5.25 5.49 0.00 1.25 1.01 -0.70 -4.93 116.67 113.53 3hux s ASP 106 Ca -0.11 -2.49 0.00 0.00 0.71 0.00 0.00 52.55 50.65 3hux s ASP 106 Cb 0.25 -1.91 0.00 0.00 1.01 0.00 0.00 42.92 42.27 3hux s ASP 106 CO 0.79 -0.49 0.00 0.61 0.21 0.00 0.00 175.17 176.29 3hux n GLY 107 N 4.03 1.90 1.04 0.21 0.00 -1.23 -4.77 105.19 106.37 3hux n GLY 107 Ca 0.03 -0.01 -0.14 0.00 0.00 0.00 0.00 46.02 45.91 3hux n GLY 107 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 3hux n TRP 108 N 0.00 -0.42 0.00 1.61 -0.00 -0.98 -4.93 117.44 112.72 3hux n TRP 108 Ca 0.00 0.24 0.00 0.00 -0.00 0.00 0.00 57.50 57.74 3hux n TRP 108 Cb 0.00 -0.58 0.00 0.00 -0.00 0.00 0.00 31.31 30.73 3hux n TRP 108 CO 0.00 0.00 0.00 -0.12 -0.00 0.00 0.00 177.69 177.57 3hux n MET 109 N 0.37 0.00 -2.25 5.87 1.56 -1.26 -4.49 117.12 116.91 3hux n MET 109 Ca 0.04 0.00 -0.21 0.00 -0.27 0.00 0.00 57.70 57.26 3hux n MET 109 Cb 0.10 0.00 0.02 0.00 2.15 0.00 0.00 33.22 35.49 3hux n MET 109 CO 0.00 0.00 0.00 -0.25 -0.73 0.00 0.00 175.97 174.99 3hux n ASP 110 N 0.00 4.35 -3.63 6.12 8.00 -1.26 -5.05 116.55 125.08 3hux n ASP 110 Ca 0.00 -3.51 -0.16 0.00 0.71 0.00 0.00 54.79 51.84 3hux n ASP 110 Cb 0.00 -0.39 -0.08 0.00 -0.02 0.00 0.00 41.12 40.63 3hux n ASP 110 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 3hux s PHE 111 N -3.59 1.38 0.00 1.24 -0.00 -1.26 -4.85 117.98 110.90 3hux s PHE 111 Ca 0.47 -1.46 0.00 0.00 -0.00 0.00 0.00 56.93 55.93 3hux s PHE 111 Cb 0.40 -0.51 0.00 0.00 -0.00 0.00 0.00 43.02 42.91 3hux s PHE 111 CO -0.03 -0.85 0.00 -0.25 -0.00 0.00 0.00 175.22 174.09 3hux n ASP 112 N -1.07 0.00 -4.72 1.98 10.43 0.44 -4.88 116.55 118.72 3hux n ASP 112 Ca 0.04 0.00 -0.28 0.00 2.57 0.00 0.00 54.79 57.12 3hux n ASP 112 Cb 0.63 -0.23 0.11 0.00 1.84 0.00 0.00 41.12 43.47 3hux n ASP 112 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3hux s ALA 113 N -2.54 2.72 -0.34 2.24 0.00 -1.16 -4.93 121.76 117.75 3hux s ALA 113 Ca 0.00 -0.88 0.06 0.00 0.00 0.00 0.00 51.96 51.13 3hux s ALA 113 Cb 0.00 -2.80 0.18 0.00 0.00 0.00 0.00 23.12 20.51 3hux s ALA 113 CO 0.00 -1.75 0.55 0.08 0.00 0.00 0.00 175.76 174.64 3hux s VAL 114 N -3.55 -0.87 0.54 0.00 1.01 -1.26 -2.98 120.40 113.28 3hux s VAL 114 Ca 0.64 -0.14 -0.04 0.00 0.00 0.00 0.00 61.98 62.44 3hux s VAL 114 Cb -0.09 -0.64 0.00 0.00 0.00 0.00 0.00 36.38 35.65 3hux s VAL 114 CO 0.49 -0.10 0.83 0.68 0.00 0.00 0.00 175.10 176.99 3hux s VAL 115 N 2.33 3.88 0.22 2.92 -7.23 -0.22 -4.38 120.40 117.92 3hux s VAL 115 Ca 0.13 -0.11 -0.23 0.00 -1.81 0.00 0.00 61.98 59.96 3hux s VAL 115 Cb -0.09 -3.50 0.05 0.00 0.56 0.00 0.00 36.38 33.39 3hux s VAL 115 CO -0.19 -0.47 0.87 0.00 -0.31 0.00 0.00 175.10 175.00 3hux s ALA 116 N -2.85 -1.42 -0.02 1.32 0.00 -1.11 -2.48 121.76 115.20 3hux s ALA 116 Ca 0.52 -0.14 0.02 0.00 0.00 0.00 0.00 51.96 52.36 3hux s ALA 116 Cb -0.10 0.73 -0.03 0.00 0.00 0.00 0.00 23.12 23.71 3hux s ALA 116 CO 0.43 -1.04 -0.06 0.95 0.00 0.00 0.00 175.76 176.04 3hux s THR 117 N -3.36 3.69 0.16 0.00 -4.23 -1.20 -1.51 115.64 109.20 3hux s THR 117 Ca 0.13 -0.67 -0.23 0.00 -1.18 0.00 0.00 61.69 59.73 3hux s THR 117 Cb -0.03 -2.58 0.04 0.00 1.34 0.00 0.00 72.50 71.27 3hux s THR 117 CO 0.05 0.46 1.60 -0.65 -0.54 0.00 0.00 174.62 175.54 3hux h PRO 118 N 4.74 -0.26 -1.21 3.99 0.11 -1.94 0.26 132.00 137.68 3hux h PRO 118 Ca -0.49 0.02 0.40 0.00 0.11 0.00 0.00 66.00 66.04 3hux h PRO 118 Cb 1.17 0.06 -0.13 0.00 0.11 0.00 0.00 31.00 32.21 3hux h PRO 118 CO 0.53 -0.17 0.76 0.38 -0.21 0.00 0.00 178.00 179.29 3hux h ASP 119 N -0.27 0.31 -0.01 -2.05 3.04 -1.96 0.40 116.42 115.88 3hux h ASP 119 Ca 0.16 0.15 0.00 0.00 -3.24 0.00 0.00 57.03 54.10 3hux h ASP 119 Cb 0.53 0.13 0.00 0.00 -1.04 0.00 0.00 39.33 38.95 3hux h ASP 119 CO -0.49 -0.17 -0.16 1.33 -2.04 0.00 0.00 179.24 177.71 3hux n VAL 120 N -4.79 0.00 -0.24 4.15 0.24 -0.95 -4.54 118.33 112.20 3hux n VAL 120 Ca 0.35 -0.42 0.03 0.00 -2.04 0.00 0.00 64.34 62.27 3hux n VAL 120 Cb 1.30 1.17 0.27 0.00 -1.47 0.00 0.00 33.84 35.11 3hux n VAL 120 CO 0.00 0.00 0.00 -0.03 -2.14 0.00 0.00 176.83 174.66 3hux h MET 121 N 1.59 0.92 0.00 7.34 4.05 0.34 -3.25 114.93 125.92 3hux h MET 121 Ca 0.00 -0.06 0.00 0.00 -0.28 0.00 0.00 59.70 59.36 3hux h MET 121 Cb 0.42 -0.21 0.00 0.00 -0.80 0.00 0.00 31.60 31.01 3hux h MET 121 CO 0.00 0.61 0.00 0.41 0.23 0.00 0.00 176.91 178.16 3hux n GLY 122 N -1.42 -3.40 0.36 1.39 0.00 -1.22 -1.75 105.19 99.15 3hux n GLY 122 Ca 0.11 0.62 0.27 0.00 0.00 0.00 0.00 46.02 47.02 3hux n GLY 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hux h ALA 123 N -1.69 2.13 -3.00 4.61 0.00 -1.91 -2.79 119.26 116.61 3hux h ALA 123 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3hux h ALA 123 Cb 0.00 0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3hux h ALA 123 CO 0.00 -0.75 0.00 0.28 0.00 0.00 0.00 179.25 178.78 3hux n VAL 124 N -4.98 0.00 0.32 0.00 0.31 -0.72 -1.06 118.33 112.21 3hux n VAL 124 Ca 0.33 0.54 0.10 0.00 -0.01 0.00 0.00 64.34 65.30 3hux n VAL 124 Cb 1.08 -1.17 0.55 0.00 -0.91 0.00 0.00 33.84 33.39 3hux n VAL 124 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 3hux h GLY 125 N 0.00 0.00 0.93 2.92 0.00 -1.51 0.50 103.07 105.91 3hux h GLY 125 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.20 3hux h GLY 125 CO 0.00 0.00 -0.39 1.48 0.00 0.00 0.00 176.54 177.63 3hux h SER 126 N 0.00 0.68 -0.28 0.19 4.64 -1.15 -1.94 113.55 115.69 3hux h SER 126 Ca 0.00 -0.55 0.00 0.00 -0.47 0.00 0.00 61.79 60.77 3hux h SER 126 Cb 1.02 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 62.91 3hux h SER 126 CO 0.00 1.11 0.00 0.29 -0.87 0.00 0.00 176.83 177.36 3hux n LYS 127 N -4.25 2.56 0.00 4.77 5.02 0.41 -4.51 118.16 122.16 3hux n LYS 127 Ca -0.06 -1.88 0.00 0.00 -2.02 0.00 0.00 58.31 54.35 3hux n LYS 127 Cb 0.53 -1.24 0.00 0.00 -0.02 0.00 0.00 35.03 34.30 3hux n LYS 127 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3hux n LEU 128 N 0.44 0.21 0.00 -0.35 4.77 0.15 -4.92 117.00 117.30 3hux n LEU 128 Ca 0.10 -0.32 0.00 0.00 -0.03 0.00 0.00 56.01 55.76 3hux n LEU 128 Cb 0.39 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 3hux n LEU 128 CO 0.07 0.05 0.37 0.61 -1.33 0.00 0.00 177.39 177.16 3hux n GLY 129 N 0.22 -3.41 0.33 -0.72 0.00 -0.73 -2.09 105.19 98.79 3hux n GLY 129 Ca 0.00 0.67 0.17 0.00 0.00 0.00 0.00 46.02 46.86 3hux n GLY 129 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3hux h ARG 130 N 0.00 0.00 0.00 1.61 1.12 -1.92 0.46 114.38 115.65 3hux h ARG 130 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.87 3hux h ARG 130 Cb 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 29.96 3hux h ARG 130 CO 0.00 0.00 0.00 -0.89 -3.11 0.00 0.00 179.97 175.97 3hux n ILE 131 N -3.71 0.00 1.29 1.20 5.41 -0.89 -4.15 119.36 118.51 3hux n ILE 131 Ca 0.00 0.22 0.08 0.00 1.00 0.00 0.00 62.75 64.05 3hux n ILE 131 Cb 0.27 -0.63 0.45 0.00 -0.71 0.00 0.00 39.64 39.02 3hux n ILE 131 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3hux n LEU 132 N -0.03 0.00 0.22 1.39 -0.00 -1.11 -3.92 117.00 113.54 3hux n LEU 132 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 56.01 55.93 3hux n LEU 132 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 43.38 3hux n LEU 132 CO 0.00 0.00 0.47 1.23 -0.00 0.00 0.00 177.39 179.09 3hux h GLY 133 N 3.41 -0.58 0.75 1.47 0.00 -0.17 -2.22 103.07 105.73 3hux h GLY 133 Ca 0.00 0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.54 3hux h GLY 133 CO 0.00 -0.21 0.00 -1.55 0.00 0.00 0.00 176.54 174.78 3hux n PRO 134 N -3.59 0.44 0.00 4.80 -0.04 -1.25 -1.27 135.00 134.09 3hux n PRO 134 Ca -0.07 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.50 3hux n PRO 134 Cb 0.22 -1.38 0.08 0.00 -0.04 0.00 0.00 33.50 32.38 3hux n PRO 134 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3hux n ARG 135 N -0.88 0.06 -0.95 0.54 1.74 -0.96 -4.95 116.66 111.27 3hux n ARG 135 Ca 0.08 -0.04 0.00 0.00 -0.77 0.00 0.00 57.85 57.12 3hux n ARG 135 Cb 0.04 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 29.98 3hux n ARG 135 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hux n GLY 136 N 1.49 0.27 0.08 -0.13 0.00 -0.39 -4.85 105.19 101.66 3hux n GLY 136 Ca 0.05 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.97 3hux n GLY 136 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3hux h LEU 137 N 0.00 0.16 -9.38 0.99 3.38 -1.64 -3.47 115.31 105.34 3hux h LEU 137 Ca 0.00 -0.18 -0.60 0.00 0.09 0.00 0.00 57.88 57.19 3hux h LEU 137 Cb 0.44 -0.05 0.15 0.00 0.09 0.00 0.00 40.66 41.29 3hux h LEU 137 CO 0.00 1.14 -0.33 0.18 0.09 0.00 0.00 178.44 179.52 3hux n LEU 138 N -3.38 0.37 -4.71 1.67 4.77 -1.17 -4.42 117.00 110.13 3hux n LEU 138 Ca -0.06 0.91 -0.42 0.00 -0.03 0.00 0.00 56.01 56.41 3hux n LEU 138 Cb 0.98 -1.15 -0.03 0.00 -2.33 0.00 0.00 43.42 40.90 3hux n LEU 138 CO 0.49 -2.73 1.06 -2.84 -1.33 0.00 0.00 177.39 172.04 3hux s PRO 139 N -1.68 4.32 -0.01 3.23 0.02 -1.26 -4.99 135.00 134.63 3hux s PRO 139 Ca 0.64 2.01 0.02 0.00 0.02 0.00 0.00 61.00 63.69 3hux s PRO 139 Cb -0.58 -3.37 0.00 0.00 0.02 0.00 0.00 34.50 30.57 3hux s PRO 139 CO 0.58 -0.46 -0.07 1.21 -0.33 0.00 0.00 177.00 177.93 3hux s ASN 140 N 1.36 0.86 0.07 2.53 3.84 -1.26 -4.88 114.94 117.46 3hux s ASN 140 Ca 0.64 -0.13 -0.33 0.00 0.21 0.00 0.00 52.86 53.25 3hux s ASN 140 Cb -0.34 -0.17 -0.19 0.00 -0.55 0.00 0.00 41.25 40.00 3hux s ASN 140 CO 0.29 0.06 1.62 -0.65 -2.79 0.00 0.00 177.10 175.63 3hux h PRO 141 N 6.22 -0.88 -0.85 0.43 0.11 -1.94 -2.17 132.00 132.92 3hux h PRO 141 Ca -0.31 0.06 0.19 0.00 0.11 0.00 0.00 66.00 66.05 3hux h PRO 141 Cb 1.18 0.20 -0.16 0.00 0.11 0.00 0.00 31.00 32.33 3hux h PRO 141 CO 0.49 -0.59 -0.11 0.87 -0.21 0.00 0.00 178.00 178.46 3hux h LYS 142 N -0.91 0.03 -2.00 1.05 1.57 -1.98 1.25 116.57 115.57 3hux h LYS 142 Ca -0.09 -0.00 -0.63 0.00 -1.87 0.00 0.00 60.65 58.06 3hux h LYS 142 Cb 0.71 -0.01 -0.22 0.00 0.08 0.00 0.00 32.23 32.79 3hux h LYS 142 CO 0.14 0.02 0.73 0.00 -0.57 0.00 0.00 179.45 179.77 3hux n ALA 143 N -3.23 6.49 0.00 3.86 0.00 -1.11 -4.36 120.51 122.17 3hux n ALA 143 Ca 0.15 -3.58 0.00 0.00 0.00 0.00 0.00 53.44 50.01 3hux n ALA 143 Cb 0.50 -2.08 0.00 0.00 0.00 0.00 0.00 19.45 17.87 3hux n ALA 143 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hux n GLY 144 N 0.19 0.00 0.68 0.00 0.00 0.43 -4.50 105.19 101.99 3hux n GLY 144 Ca 0.51 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.59 3hux n GLY 144 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3hux n THR 145 N 0.00 1.71 -4.11 2.61 -2.24 -0.86 -5.01 114.28 106.39 3hux n THR 145 Ca 0.00 -2.62 -0.11 0.00 -2.27 0.00 0.00 64.05 59.05 3hux n THR 145 Cb 0.00 -0.00 -0.11 0.00 -2.10 0.00 0.00 70.33 68.12 3hux n THR 145 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3hux s VAL 146 N -2.52 0.54 -3.37 2.28 1.01 -1.26 -2.75 120.40 114.32 3hux s VAL 146 Ca 0.35 -1.56 0.00 0.00 0.00 0.00 0.00 61.98 60.77 3hux s VAL 146 Cb 0.35 -1.20 0.00 0.00 0.00 0.00 0.00 36.38 35.52 3hux s VAL 146 CO -0.07 -0.70 0.00 0.61 0.00 0.00 0.00 175.10 174.94 3hux n GLY 147 N 0.59 0.76 0.02 4.51 0.00 -0.57 -4.92 105.19 105.59 3hux n GLY 147 Ca -0.17 -2.03 -0.02 0.00 0.00 0.00 0.00 46.02 43.80 3hux n GLY 147 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3hux n PHE 148 N 6.07 0.00 0.73 1.61 3.72 -1.26 -3.60 117.46 124.73 3hux n PHE 148 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 3hux n PHE 148 Cb 0.00 -0.28 0.00 0.00 -0.94 0.00 0.00 39.48 38.26 3hux n PHE 148 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 3hux n ASN 149 N -2.12 0.67 -0.18 4.37 0.23 -1.26 -4.43 115.26 112.54 3hux n ASN 149 Ca -0.08 -1.39 0.14 0.00 -0.53 0.00 0.00 54.58 52.71 3hux n ASN 149 Cb 0.58 -0.33 0.22 0.00 -2.08 0.00 0.00 39.78 38.16 3hux n ASN 149 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3hux n ILE 150 N 0.12 -0.01 0.00 1.53 0.13 -1.26 -1.73 119.36 118.14 3hux n ILE 150 Ca 0.00 0.42 0.00 0.00 -1.10 0.00 0.00 62.75 62.07 3hux n ILE 150 Cb 0.17 -0.70 0.00 0.00 -0.84 0.00 0.00 39.64 38.27 3hux n ILE 150 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 3hux n GLY 151 N -1.23 -3.14 0.29 4.50 0.00 -1.26 0.08 105.19 104.42 3hux n GLY 151 Ca 0.12 0.30 0.06 0.00 0.00 0.00 0.00 46.02 46.49 3hux n GLY 151 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3hux h GLU 152 N 0.00 0.06 -0.21 1.61 5.08 -1.73 0.72 114.58 120.11 3hux h GLU 152 Ca 0.00 -0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.38 3hux h GLU 152 Cb 0.00 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.20 3hux h GLU 152 CO 0.00 0.04 -0.22 0.82 -1.00 0.00 0.00 179.01 178.65 3hux h ILE 153 N 0.06 0.00 -0.05 3.13 2.04 -1.52 0.86 117.51 122.02 3hux h ILE 153 Ca 0.43 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.30 3hux h ILE 153 Cb 0.76 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.83 3hux h ILE 153 CO -0.75 0.00 0.02 0.40 0.00 0.00 0.00 178.15 177.82 3hux h ILE 154 N -0.12 0.99 -0.17 -0.67 2.04 0.51 -1.77 117.51 118.32 3hux h ILE 154 Ca 0.04 -0.02 0.05 0.00 1.00 0.00 0.00 64.86 65.93 3hux h ILE 154 Cb 0.22 0.94 -0.01 0.00 -0.74 0.00 0.00 36.82 37.23 3hux h ILE 154 CO -0.26 0.01 0.24 0.03 0.00 0.00 0.00 178.15 178.17 3hux h ARG 155 N 0.04 0.00 0.00 2.37 3.08 -0.29 -2.71 114.38 116.87 3hux h ARG 155 Ca 0.02 0.00 -0.22 0.00 0.07 0.00 0.00 59.98 59.85 3hux h ARG 155 Cb 0.01 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.02 3hux h ARG 155 CO -0.02 0.00 -1.44 1.49 -1.07 0.00 0.00 179.97 178.93 3hux h GLU 156 N 0.00 0.00 0.00 0.04 4.57 0.16 -3.33 114.58 116.03 3hux h GLU 156 Ca 0.08 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.26 3hux h GLU 156 Cb 0.56 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.15 3hux h GLU 156 CO -0.00 0.45 0.00 -0.89 -1.18 0.00 0.00 179.01 177.39 3hux n ILE 157 N -3.02 0.00 -0.07 2.32 5.41 -1.01 -1.78 119.36 121.20 3hux n ILE 157 Ca -0.11 0.00 -0.09 0.00 1.00 0.00 0.00 62.75 63.55 3hux n ILE 157 Cb 0.93 -0.56 -0.09 0.00 -0.71 0.00 0.00 39.64 39.22 3hux n ILE 157 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 3hux n LYS 158 N -0.79 1.22 0.01 0.38 4.76 -1.25 -4.69 118.16 117.80 3hux n LYS 158 Ca 0.06 0.04 -0.10 0.00 -2.87 0.00 0.00 58.31 55.45 3hux n LYS 158 Cb 0.03 -1.32 -0.08 0.00 -1.84 0.00 0.00 35.03 31.82 3hux n LYS 158 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3hux h ALA 159 N 0.33 -0.13 0.00 7.82 0.00 -1.47 -3.26 119.26 122.55 3hux h ALA 159 Ca -0.35 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.30 3hux h ALA 159 Cb 1.68 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.51 3hux h ALA 159 CO -0.02 -0.18 0.00 0.41 0.00 0.00 0.00 179.25 179.46 3hux n GLY 160 N 1.00 0.00 3.26 0.00 0.00 -1.09 -4.46 105.19 103.90 3hux n GLY 160 Ca -0.07 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.57 3hux n GLY 160 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3hux s ARG 161 N 0.00 2.57 0.09 1.61 3.52 -1.21 0.38 118.95 125.90 3hux s ARG 161 Ca 0.00 -1.27 0.09 0.00 -0.13 0.00 0.00 55.73 54.43 3hux s ARG 161 Cb 0.00 -3.50 -0.04 0.00 -1.56 0.00 0.00 34.95 29.85 3hux s ARG 161 CO 0.00 -0.73 -0.22 0.96 -0.81 0.00 0.00 175.30 174.49 3hux s ILE 162 N 1.38 2.51 0.78 4.11 -4.36 -0.78 -4.73 121.20 120.12 3hux s ILE 162 Ca -0.01 -1.48 -0.12 0.00 -0.26 0.00 0.00 60.65 58.78 3hux s ILE 162 Cb -0.20 -2.08 0.18 0.00 1.25 0.00 0.00 42.46 41.60 3hux s ILE 162 CO 0.02 0.21 1.06 1.21 0.24 0.00 0.00 174.94 177.68 3hux n GLU 163 N 1.21 -0.98 0.00 0.37 0.00 -1.26 -1.62 120.64 118.36 3hux n GLU 163 Ca -0.17 -1.71 0.00 0.00 0.00 0.00 0.00 57.16 55.28 3hux n GLU 163 Cb 0.52 -1.07 0.00 0.00 0.00 0.00 0.00 31.44 30.90 3hux n GLU 163 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.13 179.10 3hux n PHE 164 N -3.43 0.00 -4.14 4.31 1.16 -1.16 -4.91 117.46 109.29 3hux n PHE 164 Ca 0.14 0.00 -0.34 0.00 -1.87 0.00 0.00 57.45 55.37 3hux n PHE 164 Cb 0.47 0.00 -0.10 0.00 -1.61 0.00 0.00 39.48 38.24 3hux n PHE 164 CO 0.00 0.00 0.00 -0.98 -1.87 0.00 0.00 176.76 173.91 3hux s ARG 165 N 0.00 3.83 0.44 3.97 1.70 -1.25 -3.93 118.95 123.70 3hux s ARG 165 Ca 0.00 -0.39 -0.22 0.00 -0.47 0.00 0.00 55.73 54.64 3hux s ARG 165 Cb 0.00 -3.10 -0.12 0.00 -0.57 0.00 0.00 34.95 31.16 3hux s ARG 165 CO 0.00 0.30 0.66 0.27 -1.08 0.00 0.00 175.30 175.45 3hux n ASN 166 N 3.42 -0.39 -1.93 -2.89 6.94 -0.86 -4.83 115.26 114.71 3hux n ASN 166 Ca -0.17 0.92 0.00 0.00 -0.02 0.00 0.00 54.58 55.31 3hux n ASN 166 Cb 0.52 -1.18 0.00 0.00 -2.36 0.00 0.00 39.78 36.77 3hux n ASN 166 CO 0.00 0.00 0.00 -0.90 -1.03 0.00 0.00 177.26 175.33 3hux n ASP 167 N 0.98 0.00 0.09 0.53 5.68 0.63 -4.86 116.55 119.61 3hux n ASP 167 Ca 0.11 -0.69 -0.00 0.00 -0.50 0.00 0.00 54.79 53.71 3hux n ASP 167 Cb 0.40 0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 40.35 3hux n ASP 167 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 3hux h LYS 168 N 0.00 0.00 0.00 0.11 2.10 -1.94 -3.27 116.57 113.57 3hux h LYS 168 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3hux h LYS 168 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 3hux h LYS 168 CO 0.00 0.55 0.00 0.25 -2.00 0.00 0.00 179.45 178.25 3hux n THR 169 N -3.17 0.73 -0.63 0.07 -2.24 -1.26 -4.67 114.28 103.10 3hux n THR 169 Ca -0.02 0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.91 3hux n THR 169 Cb 0.81 -0.90 0.00 0.00 -2.10 0.00 0.00 70.33 68.14 3hux n THR 169 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hux n GLY 170 N 0.42 1.47 3.26 3.38 0.00 -1.23 -5.01 105.19 107.47 3hux n GLY 170 Ca 0.04 -0.28 -0.15 0.00 0.00 0.00 0.00 46.02 45.64 3hux n GLY 170 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hux s ALA 171 N -2.01 1.52 -0.03 4.61 0.00 -1.26 -2.78 121.76 121.81 3hux s ALA 171 Ca 0.00 -1.51 -0.02 0.00 0.00 0.00 0.00 51.96 50.43 3hux s ALA 171 Cb 0.00 0.03 0.02 0.00 0.00 0.00 0.00 23.12 23.16 3hux s ALA 171 CO 0.00 -0.07 0.08 -1.50 0.00 0.00 0.00 175.76 174.27 3hux s ILE 172 N -3.25 -0.02 0.14 0.00 2.07 -1.16 -0.27 121.20 118.72 3hux s ILE 172 Ca 0.17 0.06 0.06 0.00 -1.41 0.00 0.00 60.65 59.53 3hux s ILE 172 Cb 0.02 -0.13 -0.04 0.00 0.13 0.00 0.00 42.46 42.44 3hux s ILE 172 CO 0.01 0.02 -0.14 -1.00 -1.91 0.00 0.00 174.94 171.93 3hux s HIS 173 N 0.36 1.47 -0.30 3.50 3.76 -1.26 -2.02 115.29 120.81 3hux s HIS 173 Ca -0.03 -0.57 -0.16 0.00 -0.15 0.00 0.00 55.06 54.15 3hux s HIS 173 Cb -0.04 -0.75 0.17 0.00 1.11 0.00 0.00 32.58 33.07 3hux s HIS 173 CO -0.01 0.18 1.08 0.00 -0.85 0.00 0.00 174.74 175.14 3hux s ALA 174 N -2.35 -2.65 -0.00 -1.40 0.00 0.03 -4.82 121.76 110.56 3hux s ALA 174 Ca 0.12 2.05 -0.31 0.00 0.00 0.00 0.00 51.96 53.82 3hux s ALA 174 Cb -0.04 -1.97 -0.10 0.00 0.00 0.00 0.00 23.12 21.01 3hux s ALA 174 CO 0.04 -0.65 1.95 -2.30 0.00 0.00 0.00 175.76 174.79 3hux n PRO 175 N 4.18 2.65 -0.01 0.00 -0.02 -1.26 -2.88 135.00 137.66 3hux n PRO 175 Ca -0.13 0.97 0.12 0.00 -2.02 0.00 0.00 63.50 62.44 3hux n PRO 175 Cb 0.55 -2.90 0.10 0.00 -0.02 0.00 0.00 33.50 31.24 3hux n PRO 175 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 3hux n VAL 176 N 5.45 0.02 -0.80 -1.45 0.24 0.82 -4.98 118.33 117.63 3hux n VAL 176 Ca 0.21 -0.51 0.00 0.00 -2.04 0.00 0.00 64.34 62.00 3hux n VAL 176 Cb 0.37 1.48 0.00 0.00 -1.47 0.00 0.00 33.84 34.22 3hux n VAL 176 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3hux n GLY 177 N 1.36 -0.57 3.90 7.63 0.00 -1.23 -4.72 105.19 111.56 3hux n GLY 177 Ca 0.14 -1.63 -0.28 0.00 0.00 0.00 0.00 46.02 44.26 3hux n GLY 177 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hux s LYS 178 N -1.70 3.57 0.18 1.61 -0.14 -1.26 0.16 119.74 122.16 3hux s LYS 178 Ca 0.00 0.23 -0.05 0.00 -1.36 0.00 0.00 55.97 54.79 3hux s LYS 178 Cb 0.00 -2.38 0.08 0.00 -1.68 0.00 0.00 37.83 33.85 3hux s LYS 178 CO 0.00 -0.18 1.49 0.00 -0.76 0.00 0.00 175.35 175.90 3hux h ALA 179 N 0.37 0.66 -0.43 5.17 0.00 0.57 -3.12 119.26 122.48 3hux h ALA 179 Ca -0.47 -0.51 -0.24 0.00 0.00 0.00 0.00 54.91 53.70 3hux h ALA 179 Cb 1.20 -0.09 -0.13 0.00 0.00 0.00 0.00 17.79 18.78 3hux h ALA 179 CO 0.62 0.68 0.31 -1.13 0.00 0.00 0.00 179.25 179.73 3hux n SER 180 N -3.98 4.13 -4.74 0.00 3.41 -1.26 -4.77 113.62 106.42 3hux n SER 180 Ca -0.03 -2.77 -0.41 0.00 -0.26 0.00 0.00 58.87 55.40 3hux n SER 180 Cb 0.60 -0.76 -0.05 0.00 -0.26 0.00 0.00 64.21 63.75 3hux n SER 180 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 3hux s PHE 181 N -1.47 3.80 -0.39 7.33 5.36 -1.18 -4.95 117.98 126.47 3hux s PHE 181 Ca 0.25 1.78 -0.31 0.00 -0.96 0.00 0.00 56.93 57.70 3hux s PHE 181 Cb 0.21 -3.09 -0.10 0.00 -0.34 0.00 0.00 43.02 39.70 3hux s PHE 181 CO 0.03 0.06 2.29 -0.35 -1.46 0.00 0.00 175.22 175.79 3hux n PRO 182 N 2.25 1.22 0.00 10.12 -0.04 -1.26 -4.83 135.00 142.47 3hux n PRO 182 Ca 0.01 0.27 0.00 0.00 -0.04 0.00 0.00 63.50 63.74 3hux n PRO 182 Cb 0.48 -2.81 0.00 0.00 -0.04 0.00 0.00 33.50 31.13 3hux n PRO 182 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 3hux n PRO 183 N 8.56 0.00 0.00 0.54 -0.02 -1.26 0.12 135.00 142.93 3hux n PRO 183 Ca 0.39 0.00 0.11 0.00 -2.02 0.00 0.00 63.50 61.98 3hux n PRO 183 Cb 0.34 0.00 0.63 0.00 -0.02 0.00 0.00 33.50 34.45 3hux n PRO 183 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3hux n GLU 184 N 0.00 0.62 0.00 -0.52 4.71 -1.26 -3.71 120.64 120.48 3hux n GLU 184 Ca 0.00 0.01 -0.07 0.00 -0.01 0.00 0.00 57.16 57.09 3hux n GLU 184 Cb 0.00 -1.50 -0.06 0.00 -1.01 0.00 0.00 31.44 28.87 3hux n GLU 184 CO 0.00 0.00 0.00 0.87 0.09 0.00 0.00 177.13 178.09 3hux h LYS 185 N 0.00 -0.12 -0.22 3.49 1.57 0.57 -2.73 116.57 119.14 3hux h LYS 185 Ca 0.00 0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3hux h LYS 185 Cb 0.03 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 3hux h LYS 185 CO 0.00 0.27 0.12 -0.07 -0.57 0.00 0.00 179.45 179.20 3hux h LEU 186 N -0.97 0.27 -1.45 2.94 3.38 -1.72 0.85 115.31 118.61 3hux h LEU 186 Ca -0.01 -0.09 0.15 0.00 0.09 0.00 0.00 57.88 58.02 3hux h LEU 186 Cb 0.44 -0.07 -0.06 0.00 0.09 0.00 0.00 40.66 41.06 3hux h LEU 186 CO 0.02 0.28 0.54 0.00 0.09 0.00 0.00 178.44 179.38 3hux h ALA 187 N 1.00 2.00 0.15 1.53 0.00 -1.71 0.57 119.26 122.80 3hux h ALA 187 Ca 0.08 0.01 -0.29 0.00 0.00 0.00 0.00 54.91 54.70 3hux h ALA 187 Cb 0.07 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 17.79 3hux h ALA 187 CO -0.01 -0.23 -1.34 -0.44 0.00 0.00 0.00 179.25 177.22 3hux h ASP 188 N 0.53 0.49 0.68 0.00 5.19 -1.07 -3.22 116.42 119.02 3hux h ASP 188 Ca 0.41 -0.55 0.00 0.00 -0.62 0.00 0.00 57.03 56.27 3hux h ASP 188 Cb 0.83 -0.16 0.00 0.00 0.18 0.00 0.00 39.33 40.18 3hux h ASP 188 CO -0.16 1.44 0.00 -1.13 -3.12 0.00 0.00 179.24 176.26 3hux h ASN 189 N 0.09 0.00 0.00 6.45 -1.24 0.35 -2.95 115.58 118.27 3hux h ASN 189 Ca -0.18 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 56.82 3hux h ASN 189 Cb 2.02 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 41.06 3hux h ASN 189 CO 0.21 0.00 -0.10 0.40 -1.29 0.00 0.00 177.43 176.65 3hux h ILE 190 N 0.00 0.87 -1.00 2.57 2.04 -0.02 -3.20 117.51 118.77 3hux h ILE 190 Ca 0.00 -1.68 0.21 0.00 1.00 0.00 0.00 64.86 64.39 3hux h ILE 190 Cb 0.34 1.66 -0.10 0.00 -0.74 0.00 0.00 36.82 37.98 3hux h ILE 190 CO 0.00 0.29 0.62 0.03 0.00 0.00 0.00 178.15 179.09 3hux h ARG 191 N -1.00 0.62 -0.97 2.37 3.08 -1.59 0.67 114.38 117.56 3hux h ARG 191 Ca -0.02 -0.04 0.07 0.00 0.07 0.00 0.00 59.98 60.06 3hux h ARG 191 Cb 0.56 -0.14 -0.07 0.00 0.08 0.00 0.00 29.97 30.40 3hux h ARG 191 CO -0.01 0.41 0.62 0.00 -1.07 0.00 0.00 179.97 179.92 3hux h ALA 192 N 1.65 1.36 -0.15 0.04 0.00 -1.63 0.35 119.26 120.88 3hux h ALA 192 Ca 0.57 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 55.27 3hux h ALA 192 Cb 1.07 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.58 3hux h ALA 192 CO -0.35 0.38 -0.72 0.35 0.00 0.00 0.00 179.25 178.91 3hux h PHE 193 N 1.11 0.86 0.24 0.00 3.57 0.28 -3.18 116.94 119.82 3hux h PHE 193 Ca 0.43 -0.36 -0.01 0.00 3.53 0.00 0.00 57.97 61.55 3hux h PHE 193 Cb 0.21 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 38.81 3hux h PHE 193 CO -0.01 1.16 -0.11 0.82 -2.23 0.00 0.00 178.31 177.94 3hux h ILE 194 N 0.45 0.69 -0.43 1.41 2.04 -0.42 -2.78 117.51 118.47 3hux h ILE 194 Ca -0.03 -0.92 0.13 0.00 1.00 0.00 0.00 64.86 65.04 3hux h ILE 194 Cb 1.32 1.11 -0.02 0.00 -0.74 0.00 0.00 36.82 38.49 3hux h ILE 194 CO 0.14 0.16 0.59 0.03 0.00 0.00 0.00 178.15 179.07 3hux h ARG 195 N -0.88 0.00 0.10 2.37 2.47 -0.45 0.38 114.38 118.38 3hux h ARG 195 Ca -0.03 0.00 -0.34 0.00 -1.26 0.00 0.00 59.98 58.35 3hux h ARG 195 Cb 0.51 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.81 3hux h ARG 195 CO 0.05 0.00 -1.84 0.00 0.56 0.00 0.00 179.97 178.74 3hux h ALA 196 N 1.24 0.46 0.00 0.04 0.00 -1.58 -2.87 119.26 116.55 3hux h ALA 196 Ca 0.21 -1.34 -0.18 0.00 0.00 0.00 0.00 54.91 53.60 3hux h ALA 196 Cb 1.38 0.57 -0.02 0.00 0.00 0.00 0.00 17.79 19.72 3hux h ALA 196 CO -0.00 1.32 -0.82 1.25 0.00 0.00 0.00 179.25 181.00 3hux h LEU 197 N 0.06 0.07 -0.31 0.00 5.85 -0.67 -2.90 115.31 117.41 3hux h LEU 197 Ca -0.36 -0.06 -0.10 0.00 0.84 0.00 0.00 57.88 58.20 3hux h LEU 197 Cb 2.04 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 43.04 3hux h LEU 197 CO 0.11 0.85 -0.21 -0.33 -0.34 0.00 0.00 178.44 178.52 3hux h GLU 198 N 0.03 0.70 0.00 1.25 5.08 -0.49 -2.44 114.58 118.70 3hux h GLU 198 Ca -0.02 -0.33 0.00 0.00 -1.00 0.00 0.00 59.36 58.01 3hux h GLU 198 Cb 1.43 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.68 3hux h GLU 198 CO 0.11 0.94 0.00 0.00 -1.00 0.00 0.00 179.01 179.06 3hux n ALA 199 N -2.47 1.55 -3.64 3.43 0.00 -1.08 -3.36 120.51 114.93 3hux n ALA 199 Ca -0.03 -0.02 -0.27 0.00 0.00 0.00 0.00 53.44 53.11 3hux n ALA 199 Cb 0.43 -1.06 -0.10 0.00 0.00 0.00 0.00 19.45 18.71 3hux n ALA 199 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3hux n HIS 200 N -1.10 2.36 -3.98 0.00 8.25 -0.92 -5.04 115.22 114.80 3hux n HIS 200 Ca 0.02 -4.05 -0.35 0.00 -0.26 0.00 0.00 57.72 53.08 3hux n HIS 200 Cb 0.02 -0.44 -0.13 0.00 1.12 0.00 0.00 29.99 30.56 3hux n HIS 200 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 3hux s LYS 201 N -1.44 3.61 -0.02 -0.41 2.20 -1.21 -4.95 119.74 117.51 3hux s LYS 201 Ca 0.31 -0.52 -0.30 0.00 -0.36 0.00 0.00 55.97 55.10 3hux s LYS 201 Cb 0.03 -3.13 -0.07 0.00 -1.51 0.00 0.00 37.83 33.15 3hux s LYS 201 CO -0.13 -0.05 1.88 -2.14 -0.36 0.00 0.00 175.35 174.55 3hux s PRO 202 N 1.18 4.06 0.15 4.03 0.02 -1.26 -4.85 135.00 138.33 3hux s PRO 202 Ca 0.03 2.40 0.05 0.00 0.02 0.00 0.00 61.00 63.51 3hux s PRO 202 Cb -0.14 -4.12 0.47 0.00 0.02 0.00 0.00 34.50 30.73 3hux s PRO 202 CO 0.02 -1.03 0.71 0.39 -0.33 0.00 0.00 177.00 176.75 3hux n GLU 203 N 7.53 -0.03 -1.46 5.54 1.02 -1.26 -0.90 120.64 131.08 3hux n GLU 203 Ca 0.20 0.65 -0.33 0.00 -0.02 0.00 0.00 57.16 57.66 3hux n GLU 203 Cb 0.42 -1.10 0.07 0.00 -0.02 0.00 0.00 31.44 30.81 3hux n GLU 203 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3hux n GLY 204 N -1.17 5.97 3.44 0.62 0.00 -1.26 -4.90 105.19 107.88 3hux n GLY 204 Ca 0.14 -2.37 -0.44 0.00 0.00 0.00 0.00 46.02 43.35 3hux n GLY 204 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hux s ALA 205 N -3.78 3.60 0.53 4.61 0.00 -0.08 -5.02 121.76 121.62 3hux s ALA 205 Ca 0.62 -2.97 -0.22 0.00 0.00 0.00 0.00 51.96 49.40 3hux s ALA 205 Cb 0.49 -3.99 -0.05 0.00 0.00 0.00 0.00 23.12 19.57 3hux s ALA 205 CO 0.00 -2.84 1.31 0.21 0.00 0.00 0.00 175.76 174.44 3hux s LYS 206 N 2.09 3.25 0.54 0.00 2.20 -1.26 -4.80 119.74 121.76 3hux s LYS 206 Ca 0.33 2.12 0.00 0.00 -0.36 0.00 0.00 55.97 58.06 3hux s LYS 206 Cb -0.05 -2.27 0.00 0.00 -1.51 0.00 0.00 37.83 34.00 3hux s LYS 206 CO -0.08 -1.07 0.00 0.41 -0.36 0.00 0.00 175.35 174.26 3hux n GLY 207 N 0.66 -1.88 3.71 5.54 0.00 -1.26 -4.84 105.19 107.12 3hux n GLY 207 Ca 0.10 -1.74 -0.39 0.00 0.00 0.00 0.00 46.02 43.99 3hux n GLY 207 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hux s THR 208 N 0.00 5.10 0.00 2.61 2.01 -1.26 -5.05 115.64 119.05 3hux s THR 208 Ca 0.00 1.22 0.00 0.00 0.31 0.00 0.00 61.69 63.22 3hux s THR 208 Cb 0.00 -3.94 0.00 0.00 0.01 0.00 0.00 72.50 68.57 3hux s THR 208 CO 0.00 0.27 0.00 0.33 -0.69 0.00 0.00 174.62 174.53 3hux n PHE 209 N 3.87 0.00 -1.42 4.92 7.35 -1.26 -4.04 117.46 126.88 3hux n PHE 209 Ca -0.04 0.00 -0.51 0.00 -0.76 0.00 0.00 57.45 56.14 3hux n PHE 209 Cb 0.51 0.00 -0.08 0.00 0.35 0.00 0.00 39.48 40.26 3hux n PHE 209 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 3hux n LEU 210 N 0.00 1.83 -0.11 -2.13 4.77 -1.26 -1.38 117.00 118.72 3hux n LEU 210 Ca 0.00 0.41 -0.13 0.00 -0.03 0.00 0.00 56.01 56.26 3hux n LEU 210 Cb 0.00 -1.20 -0.13 0.00 -2.33 0.00 0.00 43.42 39.76 3hux n LEU 210 CO 0.00 -0.77 -1.20 0.54 -1.33 0.00 0.00 177.39 174.63 3hux n ARG 211 N 8.13 0.76 -3.56 3.23 1.74 0.29 -4.89 116.66 122.36 3hux n ARG 211 Ca 0.44 0.06 -0.25 0.00 -0.77 0.00 0.00 57.85 57.34 3hux n ARG 211 Cb 0.19 -1.49 -0.15 0.00 -1.02 0.00 0.00 32.46 29.99 3hux n ARG 211 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3hux s SER 212 N -5.83 2.47 -0.09 0.55 1.04 -1.21 -4.92 113.70 105.70 3hux s SER 212 Ca -0.21 -0.74 0.03 0.00 0.48 0.00 0.00 55.95 55.52 3hux s SER 212 Cb 0.07 -0.12 0.00 0.00 0.10 0.00 0.00 66.02 66.07 3hux s SER 212 CO 0.67 -0.37 -0.21 -0.69 0.98 0.00 0.00 173.24 173.62 3hux s VAL 213 N 2.17 1.82 0.00 5.02 1.01 -1.26 -0.06 120.40 129.10 3hux s VAL 213 Ca 0.05 -0.88 0.00 0.00 0.00 0.00 0.00 61.98 61.16 3hux s VAL 213 Cb -0.16 -1.59 0.00 0.00 0.00 0.00 0.00 36.38 34.63 3hux s VAL 213 CO -0.18 0.51 0.00 -1.22 0.00 0.00 0.00 175.10 174.20 3hux n TYR 214 N 3.63 0.00 -3.38 5.22 4.02 -0.05 -0.92 117.16 125.67 3hux n TYR 214 Ca -0.20 0.00 -0.16 0.00 -0.01 0.00 0.00 57.90 57.53 3hux n TYR 214 Cb 0.53 0.00 -0.09 0.00 -0.02 0.00 0.00 39.34 39.76 3hux n TYR 214 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 3hux s VAL 215 N -1.18 -0.40 0.47 -0.72 1.01 -0.64 -4.11 120.40 114.83 3hux s VAL 215 Ca 0.00 -0.59 0.06 0.00 0.00 0.00 0.00 61.98 61.46 3hux s VAL 215 Cb 0.00 -0.92 0.06 0.00 0.00 0.00 0.00 36.38 35.52 3hux s VAL 215 CO 0.00 -0.48 0.53 1.07 0.00 0.00 0.00 175.10 176.22 3hux n THR 216 N 5.08 0.00 -4.30 3.92 5.66 -0.44 -2.13 114.28 122.06 3hux n THR 216 Ca 0.01 -1.69 -0.23 0.00 -3.05 0.00 0.00 64.05 59.10 3hux n THR 216 Cb 0.46 -0.40 -0.12 0.00 -1.55 0.00 0.00 70.33 68.73 3hux n THR 216 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 3hux s THR 217 N -2.09 1.74 0.31 1.09 -4.23 -1.12 -2.34 115.64 108.99 3hux s THR 217 Ca 0.40 -1.71 0.08 0.00 -1.18 0.00 0.00 61.69 59.29 3hux s THR 217 Cb -0.03 -1.67 0.31 0.00 1.34 0.00 0.00 72.50 72.44 3hux s THR 217 CO 0.26 -0.19 1.72 0.74 -0.54 0.00 0.00 174.62 176.61 3hux h THR 218 N 3.70 0.52 -3.25 3.99 2.02 -0.42 -3.28 112.91 116.18 3hux h THR 218 Ca -0.44 -0.18 -0.63 0.00 0.77 0.00 0.00 66.41 65.92 3hux h THR 218 Cb 1.19 -0.06 -0.41 0.00 -1.74 0.00 0.00 68.15 67.13 3hux h THR 218 CO 0.45 0.10 -0.65 -0.32 0.37 0.00 0.00 175.52 175.47 3hux s MET 219 N -5.80 1.87 0.00 6.66 -2.45 -1.26 -4.96 119.30 113.36 3hux s MET 219 Ca -0.11 -2.57 0.00 0.00 -1.25 0.00 0.00 55.69 51.76 3hux s MET 219 Cb 0.27 -3.10 0.00 0.00 1.25 0.00 0.00 34.83 33.25 3hux s MET 219 CO 0.79 -1.14 0.00 0.41 1.05 0.00 0.00 175.02 176.13 3hux n GLY 220 N 3.07 0.46 0.00 2.11 0.00 -1.24 -4.72 105.19 104.87 3hux n GLY 220 Ca 0.08 -2.21 0.00 0.00 0.00 0.00 0.00 46.02 43.88 3hux n GLY 220 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3hux n PRO 221 N 0.00 0.00 -3.63 1.61 -0.02 -1.26 -4.08 135.00 127.62 3hux n PRO 221 Ca 0.00 0.00 -0.29 0.00 -2.02 0.00 0.00 63.50 61.19 3hux n PRO 221 Cb 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 33.50 33.35 3hux n PRO 221 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 3hux s SER 222 N 0.00 3.54 -0.49 2.55 0.01 -1.26 -2.79 113.70 115.26 3hux s SER 222 Ca 0.00 -2.12 -0.29 0.00 1.31 0.00 0.00 55.95 54.85 3hux s SER 222 Cb 0.00 -0.74 0.03 0.00 0.21 0.00 0.00 66.02 65.52 3hux s SER 222 CO 0.00 -0.33 1.12 0.68 0.41 0.00 0.00 173.24 175.12 3hux s VAL 223 N 1.04 4.22 0.35 3.43 -7.23 -0.91 -4.79 120.40 116.52 3hux s VAL 223 Ca 0.15 1.14 -0.28 0.00 -1.81 0.00 0.00 61.98 61.17 3hux s VAL 223 Cb -0.21 -4.60 -0.11 0.00 0.56 0.00 0.00 36.38 32.02 3hux s VAL 223 CO -0.09 -1.03 1.38 -0.60 -0.31 0.00 0.00 175.10 174.45 3hux s ARG 224 N 4.43 4.25 0.44 4.82 3.52 -1.26 -1.61 118.95 133.52 3hux s ARG 224 Ca 0.46 2.36 0.03 0.00 -0.13 0.00 0.00 55.73 58.46 3hux s ARG 224 Cb -0.07 -3.02 -0.01 0.00 -1.56 0.00 0.00 34.95 30.28 3hux s ARG 224 CO 0.31 -0.33 0.12 0.44 -0.81 0.00 0.00 175.30 175.02 3hux n ILE 225 N 0.64 0.00 -3.28 4.11 -5.35 -0.10 -3.78 119.36 111.62 3hux n ILE 225 Ca 0.00 -2.42 -0.43 0.00 -0.27 0.00 0.00 62.75 59.64 3hux n ILE 225 Cb 0.41 0.78 -0.08 0.00 -1.74 0.00 0.00 39.64 39.01 3hux n ILE 225 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 3hux s ASN 226 N -3.61 6.22 0.00 7.28 3.84 -1.08 -4.54 114.94 123.06 3hux s ASN 226 Ca 0.16 -0.62 0.00 0.00 0.21 0.00 0.00 52.86 52.61 3hux s ASN 226 Cb 0.01 -2.24 0.00 0.00 -0.55 0.00 0.00 41.25 38.46 3hux s ASN 226 CO 0.12 -0.63 0.21 -0.81 -2.79 0.00 0.00 177.10 173.19 3hux n PRO 227 N 5.74 0.35 -2.57 0.43 -0.04 -1.26 -2.25 135.00 135.39 3hux n PRO 227 Ca -0.06 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.26 3hux n PRO 227 Cb 0.47 -1.14 0.02 0.00 -0.04 0.00 0.00 33.50 32.81 3hux n PRO 227 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 3hux n HIS 228 N 0.18 1.96 -0.60 0.54 8.25 -1.26 -4.99 115.22 119.30 3hux n HIS 228 Ca 0.00 -2.70 0.00 0.00 -0.26 0.00 0.00 57.72 54.76 3hux n HIS 228 Cb 0.07 -0.27 0.00 0.00 1.12 0.00 0.00 29.99 30.91 3hux n HIS 228 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85