#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hxw s LYS 2 N 0.00 4.43 0.86 4.33 1.02 -1.26 -5.04 119.74 124.07 3hxw s LYS 2 Ca 0.00 1.75 -0.12 0.00 0.02 0.00 0.00 55.97 57.62 3hxw s LYS 2 Cb 0.00 -2.95 0.10 0.00 -0.52 0.00 0.00 37.83 34.47 3hxw s LYS 2 CO 0.00 0.03 1.10 -1.54 -0.92 0.00 0.00 175.35 174.02 3hxw s SER 3 N -1.08 3.89 0.24 2.83 1.04 -1.26 -4.80 113.70 114.57 3hxw s SER 3 Ca 0.50 1.40 -0.06 0.00 0.48 0.00 0.00 55.95 58.27 3hxw s SER 3 Cb -0.30 -2.10 0.34 0.00 0.10 0.00 0.00 66.02 64.06 3hxw s SER 3 CO 0.38 -2.36 1.83 0.74 0.98 0.00 0.00 173.24 174.81 3hxw h THR 4 N -1.36 0.99 -0.85 2.02 2.02 -1.96 -0.82 112.91 112.96 3hxw h THR 4 Ca -0.48 -0.30 -0.03 0.00 0.77 0.00 0.00 66.41 66.36 3hxw h THR 4 Cb 1.28 0.04 -0.04 0.00 -1.74 0.00 0.00 68.15 67.69 3hxw h THR 4 CO 0.57 0.16 0.42 0.00 0.37 0.00 0.00 175.52 177.03 3hxw h ALA 5 N 1.41 1.10 -0.31 6.16 0.00 -1.92 -0.88 119.26 124.82 3hxw h ALA 5 Ca 0.37 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 55.01 3hxw h ALA 5 Cb 0.23 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3hxw h ALA 5 CO -0.19 0.65 -0.26 0.93 0.00 0.00 0.00 179.25 180.38 3hxw h GLU 6 N 1.21 0.62 -0.25 0.00 5.08 -1.74 -1.96 114.58 117.54 3hxw h GLU 6 Ca 0.29 -0.25 -0.07 0.00 -1.00 0.00 0.00 59.36 58.33 3hxw h GLU 6 Cb 0.11 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 3hxw h GLU 6 CO -0.04 0.82 -0.13 0.82 -1.00 0.00 0.00 179.01 179.48 3hxw h ILE 7 N 0.54 1.30 -0.41 3.13 2.04 -0.83 0.63 117.51 123.91 3hxw h ILE 7 Ca 0.07 -1.23 0.07 0.00 1.00 0.00 0.00 64.86 64.78 3hxw h ILE 7 Cb 0.73 1.57 -0.06 0.00 -0.74 0.00 0.00 36.82 38.32 3hxw h ILE 7 CO 0.06 0.38 0.03 -0.09 0.00 0.00 0.00 178.15 178.52 3hxw h ARG 8 N 0.25 0.13 -0.33 2.37 2.43 -1.10 -1.33 114.38 116.80 3hxw h ARG 8 Ca 0.05 -0.01 -0.14 0.00 -0.81 0.00 0.00 59.98 59.08 3hxw h ARG 8 Cb 0.65 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.16 3hxw h ARG 8 CO 0.04 0.09 -0.35 0.37 -1.51 0.00 0.00 179.97 178.60 3hxw h GLN 9 N 0.14 0.74 -0.72 0.20 5.75 -1.22 -2.83 115.11 117.17 3hxw h GLN 9 Ca 0.20 -0.36 -0.06 0.00 -0.15 0.00 0.00 58.65 58.28 3hxw h GLN 9 Cb 0.27 -0.00 -0.03 0.00 1.07 0.00 0.00 27.48 28.79 3hxw h GLN 9 CO -0.31 0.98 0.21 0.00 -2.65 0.00 0.00 178.83 177.06 3hxw h ALA 10 N 0.98 1.00 0.03 3.38 0.00 -0.55 0.63 119.26 124.73 3hxw h ALA 10 Ca 0.06 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3hxw h ALA 10 Cb 0.89 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 3hxw h ALA 10 CO 0.08 0.66 -0.04 0.35 0.00 0.00 0.00 179.25 180.30 3hxw h PHE 11 N 1.08 -0.11 -0.68 0.00 3.57 -1.15 -0.68 116.94 118.98 3hxw h PHE 11 Ca 0.23 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.67 3hxw h PHE 11 Cb 0.32 0.04 -0.03 0.00 2.79 0.00 0.00 35.95 39.08 3hxw h PHE 11 CO 0.03 -0.07 0.19 -0.07 -2.23 0.00 0.00 178.31 176.16 3hxw h LEU 12 N -0.09 1.01 -0.72 0.59 3.38 -1.25 -2.61 115.31 115.63 3hxw h LEU 12 Ca 0.01 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 57.75 3hxw h LEU 12 Cb 0.10 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.54 3hxw h LEU 12 CO -0.02 0.97 0.43 0.44 0.09 0.00 0.00 178.44 180.35 3hxw h ASP 13 N 1.01 0.87 0.17 -0.43 3.32 -0.70 0.92 116.42 121.57 3hxw h ASP 13 Ca 0.22 -0.06 0.01 0.00 0.02 0.00 0.00 57.03 57.22 3hxw h ASP 13 Cb 0.33 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.63 3hxw h ASP 13 CO -0.00 0.68 -0.29 0.15 -1.72 0.00 0.00 179.24 178.05 3hxw h PHE 14 N 0.99 -0.78 -0.21 4.55 3.57 -0.87 0.02 116.94 124.20 3hxw h PHE 14 Ca 0.26 0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.65 3hxw h PHE 14 Cb -0.03 0.32 -0.01 0.00 2.79 0.00 0.00 35.95 39.02 3hxw h PHE 14 CO -0.01 -0.40 -0.39 0.74 -2.23 0.00 0.00 178.31 176.02 3hxw h PHE 15 N -0.54 0.55 -0.72 0.41 0.04 -1.28 -2.06 116.94 113.34 3hxw h PHE 15 Ca 0.02 -0.15 0.02 0.00 2.80 0.00 0.00 57.97 60.66 3hxw h PHE 15 Cb 0.54 -0.12 -0.04 0.00 2.20 0.00 0.00 35.95 38.53 3hxw h PHE 15 CO -0.24 0.79 0.46 1.25 -0.60 0.00 0.00 178.31 179.98 3hxw h HIS 16 N 0.39 0.87 0.00 -0.55 2.76 -0.68 -0.06 115.15 117.89 3hxw h HIS 16 Ca 0.04 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.22 3hxw h HIS 16 Cb 0.86 -0.29 -0.00 0.00 1.55 0.00 0.00 27.41 29.53 3hxw h HIS 16 CO 0.03 0.52 -0.03 0.66 -1.30 0.00 0.00 177.93 177.81 3hxw h SER 17 N 0.92 0.00 -0.65 3.26 4.64 -0.54 -1.13 113.55 120.04 3hxw h SER 17 Ca 0.28 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.40 3hxw h SER 17 Cb -0.04 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 61.93 3hxw h SER 17 CO -0.09 0.03 0.25 0.29 -0.87 0.00 0.00 176.83 176.44 3hxw n LYS 18 N -3.19 3.35 -0.93 4.77 4.76 -0.38 -4.92 118.16 121.63 3hxw n LYS 18 Ca -0.01 -2.65 0.00 0.00 -2.87 0.00 0.00 58.31 52.78 3hxw n LYS 18 Cb 0.21 -2.10 0.00 0.00 -1.84 0.00 0.00 35.03 31.30 3hxw n LYS 18 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3hxw n GLY 19 N -0.10 0.57 3.72 0.72 0.00 -0.43 -5.02 105.19 104.65 3hxw n GLY 19 Ca 0.36 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.98 3hxw n GLY 19 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3hxw s HIS 20 N -2.14 3.64 0.03 1.61 3.76 -0.18 -4.82 115.29 117.19 3hxw s HIS 20 Ca 0.00 1.38 -0.30 0.00 -0.15 0.00 0.00 55.06 55.99 3hxw s HIS 20 Cb 0.00 -2.86 -0.07 0.00 1.11 0.00 0.00 32.58 30.76 3hxw s HIS 20 CO 0.00 0.13 1.58 -1.14 -0.85 0.00 0.00 174.74 174.45 3hxw s GLN 21 N 0.59 4.22 -0.22 1.40 2.00 -0.51 -4.03 119.66 123.11 3hxw s GLN 21 Ca 0.40 2.20 -0.29 0.00 -2.00 0.00 0.00 55.36 55.67 3hxw s GLN 21 Cb -0.19 -3.64 0.00 0.00 0.80 0.00 0.00 33.01 29.98 3hxw s GLN 21 CO 0.21 -0.70 1.13 0.08 -0.50 0.00 0.00 175.29 175.51 3hxw s VAL 22 N 2.75 4.52 -0.04 1.34 1.01 -1.26 -0.99 120.40 127.73 3hxw s VAL 22 Ca 0.71 1.82 0.05 0.00 0.00 0.00 0.00 61.98 64.56 3hxw s VAL 22 Cb -0.36 -4.21 -0.02 0.00 0.00 0.00 0.00 36.38 31.78 3hxw s VAL 22 CO 0.30 -0.20 -0.18 -0.69 0.00 0.00 0.00 175.10 174.34 3hxw s VAL 23 N 3.37 2.76 0.49 2.92 1.01 -0.59 -4.95 120.40 125.42 3hxw s VAL 23 Ca 0.48 -0.86 -0.23 0.00 0.00 0.00 0.00 61.98 61.37 3hxw s VAL 23 Cb -0.17 -2.05 -0.06 0.00 0.00 0.00 0.00 36.38 34.09 3hxw s VAL 23 CO 0.10 0.57 1.25 0.00 0.00 0.00 0.00 175.10 177.03 3hxw s ALA 24 N -0.71 2.92 0.28 5.51 0.00 -1.26 -4.46 121.76 124.04 3hxw s ALA 24 Ca 0.11 1.11 -0.28 0.00 0.00 0.00 0.00 51.96 52.90 3hxw s ALA 24 Cb -0.10 -3.46 -0.14 0.00 0.00 0.00 0.00 23.12 19.41 3hxw s ALA 24 CO 0.00 -0.96 1.03 0.45 0.00 0.00 0.00 175.76 176.28 3hxw n SER 25 N -0.69 1.33 -4.82 0.00 2.88 -1.26 -4.97 113.62 106.09 3hxw n SER 25 Ca 0.08 1.18 -0.29 0.00 -1.33 0.00 0.00 58.87 58.51 3hxw n SER 25 Cb 0.47 -1.29 0.11 0.00 -0.75 0.00 0.00 64.21 62.75 3hxw n SER 25 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 3hxw s SER 26 N -0.50 4.11 0.91 -3.46 1.04 -1.26 -5.00 113.70 109.54 3hxw s SER 26 Ca 0.60 0.80 -0.11 0.00 0.48 0.00 0.00 55.95 57.73 3hxw s SER 26 Cb -0.71 -1.29 0.14 0.00 0.10 0.00 0.00 66.02 64.25 3hxw s SER 26 CO 0.59 -2.16 1.11 -0.55 0.98 0.00 0.00 173.24 173.21 3hxw s SER 27 N -4.43 3.18 0.16 7.02 0.15 -1.26 -4.65 113.70 113.87 3hxw s SER 27 Ca 0.63 1.89 0.24 0.00 0.70 0.00 0.00 55.95 59.41 3hxw s SER 27 Cb -0.12 -2.45 0.91 0.00 -1.71 0.00 0.00 66.02 62.65 3hxw s SER 27 CO 0.50 -2.88 1.72 0.18 1.20 0.00 0.00 173.24 173.96 3hxw n LEU 28 N -4.07 0.50 -4.09 3.45 4.77 -1.26 -4.69 117.00 111.61 3hxw n LEU 28 Ca 0.09 0.58 -0.32 0.00 -0.03 0.00 0.00 56.01 56.33 3hxw n LEU 28 Cb 0.53 -0.47 -0.15 0.00 -2.33 0.00 0.00 43.42 41.00 3hxw n LEU 28 CO 0.52 -0.31 -0.48 -0.69 -1.33 0.00 0.00 177.39 175.11 3hxw s VAL 29 N -3.15 2.16 0.38 4.08 1.01 -1.26 -1.03 120.40 122.59 3hxw s VAL 29 Ca 0.08 -1.45 -0.25 0.00 0.00 0.00 0.00 61.98 60.36 3hxw s VAL 29 Cb 0.12 -2.18 -0.09 0.00 0.00 0.00 0.00 36.38 34.23 3hxw s VAL 29 CO 0.45 0.12 1.08 -2.16 0.00 0.00 0.00 175.10 174.59 3hxw s PRO 30 N 1.15 4.19 -0.02 2.72 0.04 -1.26 -4.96 135.00 136.87 3hxw s PRO 30 Ca -0.05 1.62 0.16 0.00 0.04 0.00 0.00 61.00 62.77 3hxw s PRO 30 Cb -0.18 -2.65 -0.20 0.00 0.04 0.00 0.00 34.50 31.51 3hxw s PRO 30 CO -0.07 -0.14 0.64 1.58 0.04 0.00 0.00 177.00 179.05 3hxw n HIS 31 N 0.12 0.80 -1.98 0.56 -0.00 -1.26 -4.62 115.22 108.83 3hxw n HIS 31 Ca 0.04 0.28 -0.00 0.00 0.46 0.00 0.00 57.72 58.50 3hxw n HIS 31 Cb 0.48 -1.08 0.12 0.00 -0.12 0.00 0.00 29.99 29.39 3hxw n HIS 31 CO 0.00 0.00 0.00 0.09 0.46 0.00 0.00 176.34 176.89 3hxw n ASN 32 N -2.89 2.08 -3.51 0.26 3.02 -1.26 -4.91 115.26 108.05 3hxw n ASN 32 Ca -0.15 -3.29 -0.29 0.00 -0.03 0.00 0.00 54.58 50.82 3hxw n ASN 32 Cb 0.95 -0.44 -0.13 0.00 -0.61 0.00 0.00 39.78 39.55 3hxw n ASN 32 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3hxw s ASP 33 N -3.05 3.21 0.46 6.41 -1.08 -1.26 -5.00 116.67 116.36 3hxw s ASP 33 Ca 0.38 -1.91 0.31 0.00 -0.52 0.00 0.00 52.55 50.81 3hxw s ASP 33 Cb 0.38 -0.43 1.54 0.00 -1.46 0.00 0.00 42.92 42.95 3hxw s ASP 33 CO -0.07 -0.35 1.95 -0.65 0.52 0.00 0.00 175.17 176.56 3hxw h PRO 34 N 7.47 0.00 -0.00 4.34 0.11 -1.94 -2.34 132.00 139.63 3hxw h PRO 34 Ca -0.03 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.08 3hxw h PRO 34 Cb 0.98 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.09 3hxw h PRO 34 CO 0.33 0.00 -0.23 0.25 -0.21 0.00 0.00 178.00 178.15 3hxw n THR 35 N -2.66 0.00 -4.03 -1.15 -2.24 -1.26 -4.86 114.28 98.07 3hxw n THR 35 Ca -0.01 -0.06 -0.34 0.00 -2.27 0.00 0.00 64.05 61.37 3hxw n THR 35 Cb 0.14 0.07 -0.15 0.00 -2.10 0.00 0.00 70.33 68.29 3hxw n THR 35 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 3hxw s LEU 36 N -2.66 2.54 0.00 3.22 2.96 -0.88 -5.00 118.68 118.86 3hxw s LEU 36 Ca 0.22 -0.51 0.00 0.00 -0.22 0.00 0.00 54.13 53.62 3hxw s LEU 36 Cb 0.19 -1.62 0.00 0.00 0.50 0.00 0.00 46.19 45.26 3hxw s LEU 36 CO 0.54 -0.01 0.42 -0.11 -1.32 0.00 0.00 176.35 175.88 3hxw n LEU 37 N 4.68 0.30 -4.29 -0.68 7.94 -1.26 -4.78 117.00 118.91 3hxw n LEU 37 Ca -0.19 0.64 -0.22 0.00 -1.11 0.00 0.00 56.01 55.13 3hxw n LEU 37 Cb 0.51 -0.41 -0.12 0.00 0.53 0.00 0.00 43.42 43.93 3hxw n LEU 37 CO 0.28 -0.41 -0.49 -0.36 -1.11 0.00 0.00 177.39 175.30 3hxw s PHE 38 N -1.66 1.71 -0.10 1.96 0.08 -1.26 -4.70 117.98 114.01 3hxw s PHE 38 Ca 0.00 -0.46 -0.35 0.00 0.12 0.00 0.00 56.93 56.25 3hxw s PHE 38 Cb 0.00 -0.90 -0.12 0.00 -0.57 0.00 0.00 43.02 41.42 3hxw s PHE 38 CO 0.00 0.23 1.84 2.41 -0.10 0.00 0.00 175.22 179.61 3hxw n THR 39 N 0.75 0.51 0.17 0.64 -1.04 -0.20 -4.82 114.28 110.29 3hxw n THR 39 Ca -0.17 -0.09 0.02 0.00 -2.04 0.00 0.00 64.05 61.77 3hxw n THR 39 Cb 0.55 -1.76 0.01 0.00 -1.82 0.00 0.00 70.33 67.31 3hxw n THR 39 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 3hxw n ASN 40 N 6.27 1.14 -3.49 8.00 0.23 -1.26 -0.77 115.26 125.37 3hxw n ASN 40 Ca 0.23 -1.07 -0.16 0.00 -0.53 0.00 0.00 54.58 53.06 3hxw n ASN 40 Cb 0.27 0.18 -0.05 0.00 -2.08 0.00 0.00 39.78 38.10 3hxw n ASN 40 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3hxw s ALA 41 N -0.52 -1.66 0.52 -2.53 0.00 -1.26 -4.85 121.76 111.46 3hxw s ALA 41 Ca 0.04 0.96 0.23 0.00 0.00 0.00 0.00 51.96 53.20 3hxw s ALA 41 Cb 0.03 0.34 1.35 0.00 0.00 0.00 0.00 23.12 24.85 3hxw s ALA 41 CO 0.07 -0.52 2.02 0.78 0.00 0.00 0.00 175.76 178.11 3hxw h GLY 42 N 2.65 0.04 2.00 0.00 0.00 -1.89 -2.57 103.07 103.31 3hxw h GLY 42 Ca -0.30 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.02 3hxw h GLY 42 CO 0.39 0.01 0.00 1.15 0.00 0.00 0.00 176.54 178.08 3hxw n MET 43 N -4.41 0.19 -0.17 4.80 0.00 -1.26 -3.97 117.12 112.30 3hxw n MET 43 Ca 0.08 0.31 -0.02 0.00 0.00 0.00 0.00 57.70 58.07 3hxw n MET 43 Cb 0.52 -1.79 0.08 0.00 0.00 0.00 0.00 33.22 32.03 3hxw n MET 43 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 175.97 175.06 3hxw h ASN 44 N 0.00 -0.05 0.62 3.17 -0.26 -1.88 -0.04 115.58 117.13 3hxw h ASN 44 Ca 0.00 0.10 0.00 0.00 -0.56 0.00 0.00 56.30 55.84 3hxw h ASN 44 Cb 0.49 0.15 0.00 0.00 -1.06 0.00 0.00 38.32 37.90 3hxw h ASN 44 CO 0.00 -0.00 0.00 0.00 -1.06 0.00 0.00 177.43 176.37 3hxw n GLN 45 N -5.15 0.02 -0.34 0.81 10.64 -1.25 -2.05 117.38 120.06 3hxw n GLN 45 Ca 0.06 0.23 0.07 0.00 -1.83 0.00 0.00 57.00 55.54 3hxw n GLN 45 Cb 0.27 -1.54 0.23 0.00 -0.86 0.00 0.00 30.24 28.34 3hxw n GLN 45 CO 0.00 0.00 0.00 1.19 -1.83 0.00 0.00 177.06 176.42 3hxw n PHE 46 N -1.59 0.80 -0.11 2.61 3.72 -0.07 -4.75 117.46 118.06 3hxw n PHE 46 Ca 0.04 -0.62 -0.05 0.00 -0.05 0.00 0.00 57.45 56.77 3hxw n PHE 46 Cb 0.21 -0.14 0.01 0.00 -0.94 0.00 0.00 39.48 38.62 3hxw n PHE 46 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 3hxw h LYS 47 N 2.45 -0.06 0.00 -1.08 3.64 -0.93 -0.60 116.57 119.99 3hxw h LYS 47 Ca 0.00 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.35 3hxw h LYS 47 Cb 1.06 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.89 3hxw h LYS 47 CO 0.10 -0.04 -0.18 -0.44 -2.27 0.00 0.00 179.45 176.61 3hxw h ASP 48 N -0.07 0.00 -0.18 4.20 3.32 -1.85 -1.68 116.42 120.16 3hxw h ASP 48 Ca 0.19 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.19 3hxw h ASP 48 Cb 0.36 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.91 3hxw h ASP 48 CO -0.44 0.18 -0.09 0.58 -1.72 0.00 0.00 179.24 177.75 3hxw h VAL 49 N 0.00 1.31 -0.20 -1.35 2.07 -1.29 0.75 116.25 117.54 3hxw h VAL 49 Ca -0.00 -1.15 -0.01 0.00 0.82 0.00 0.00 66.70 66.36 3hxw h VAL 49 Cb 0.45 1.67 -0.01 0.00 -1.52 0.00 0.00 31.29 31.88 3hxw h VAL 49 CO 0.02 0.34 0.07 -0.26 0.02 0.00 0.00 177.57 177.77 3hxw h PHE 50 N 0.07 0.27 0.00 1.57 0.04 -0.91 -1.47 116.94 116.51 3hxw h PHE 50 Ca 0.04 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.81 3hxw h PHE 50 Cb 0.57 -0.09 0.00 0.00 2.20 0.00 0.00 35.95 38.63 3hxw h PHE 50 CO 0.06 0.23 0.00 1.28 -0.60 0.00 0.00 178.31 179.29 3hxw n LEU 51 N -4.44 0.64 0.00 1.54 4.77 -0.67 -4.65 117.00 114.19 3hxw n LEU 51 Ca 0.00 0.58 0.00 0.00 -0.03 0.00 0.00 56.01 56.56 3hxw n LEU 51 Cb 0.13 -0.41 0.00 0.00 -2.33 0.00 0.00 43.42 40.81 3hxw n LEU 51 CO 0.36 -0.25 0.00 0.61 -1.33 0.00 0.00 177.39 176.78 3hxw n GLY 52 N 0.99 0.43 0.06 -0.72 0.00 -0.55 -4.64 105.19 100.76 3hxw n GLY 52 Ca 0.05 -0.78 0.11 0.00 0.00 0.00 0.00 46.02 45.40 3hxw n GLY 52 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hxw n LEU 53 N 0.00 0.53 -4.02 0.99 4.77 0.19 -4.91 117.00 114.55 3hxw n LEU 53 Ca 0.00 0.15 -0.16 0.00 -0.03 0.00 0.00 56.01 55.96 3hxw n LEU 53 Cb 0.00 -0.05 -0.14 0.00 -2.33 0.00 0.00 43.42 40.90 3hxw n LEU 53 CO 0.00 -0.08 -0.42 -0.62 -1.33 0.00 0.00 177.39 174.95 3hxw s ASP 54 N -4.77 0.90 -0.05 -1.43 2.15 -0.79 -4.97 116.67 107.72 3hxw s ASP 54 Ca -0.02 -0.25 0.04 0.00 0.43 0.00 0.00 52.55 52.75 3hxw s ASP 54 Cb 0.12 -0.06 -0.00 0.00 -0.30 0.00 0.00 42.92 42.68 3hxw s ASP 54 CO 0.83 0.02 -0.16 -0.75 -0.17 0.00 0.00 175.17 174.94 3hxw s LYS 55 N -0.57 1.71 0.41 4.34 2.20 -1.26 -4.09 119.74 122.47 3hxw s LYS 55 Ca -0.00 -0.55 0.08 0.00 -0.36 0.00 0.00 55.97 55.13 3hxw s LYS 55 Cb -0.05 -1.47 0.01 0.00 -1.51 0.00 0.00 37.83 34.81 3hxw s LYS 55 CO 0.00 0.20 0.56 1.03 -0.36 0.00 0.00 175.35 176.78 3hxw s ARG 56 N 0.15 2.86 0.00 4.03 1.81 -1.26 -4.99 118.95 121.54 3hxw s ARG 56 Ca -0.06 -1.21 0.23 0.00 -1.72 0.00 0.00 55.73 52.97 3hxw s ARG 56 Cb -0.12 -2.76 1.06 0.00 -0.45 0.00 0.00 34.95 32.68 3hxw s ARG 56 CO 0.02 -0.24 1.74 0.09 -0.68 0.00 0.00 175.30 176.24 3hxw n ASN 57 N -1.83 0.00 -4.44 0.23 3.02 -1.26 -4.73 115.26 106.25 3hxw n ASN 57 Ca 0.07 0.25 -0.29 0.00 -0.03 0.00 0.00 54.58 54.58 3hxw n ASN 57 Cb 0.59 -0.40 -0.12 0.00 -0.61 0.00 0.00 39.78 39.24 3hxw n ASN 57 CO 0.00 0.00 0.00 -0.72 -2.62 0.00 0.00 177.26 173.92 3hxw s TYR 58 N -2.80 2.41 -1.52 3.10 -0.85 -1.26 -5.03 117.35 111.40 3hxw s TYR 58 Ca 0.16 -0.33 0.12 0.00 -0.52 0.00 0.00 57.07 56.51 3hxw s TYR 58 Cb 0.15 -1.27 0.09 0.00 0.38 0.00 0.00 41.96 41.32 3hxw s TYR 58 CO 0.39 0.39 0.88 -1.13 -1.52 0.00 0.00 175.55 174.56 3hxw n SER 59 N 0.71 1.99 -3.77 -0.18 3.41 -1.26 -4.95 113.62 109.57 3hxw n SER 59 Ca -0.16 -1.50 -0.13 0.00 -0.26 0.00 0.00 58.87 56.83 3hxw n SER 59 Cb 0.53 0.02 -0.11 0.00 -0.26 0.00 0.00 64.21 64.40 3hxw n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hxw s ARG 60 N -1.05 0.39 0.17 4.33 1.70 -1.26 -0.40 118.95 122.83 3hxw s ARG 60 Ca 0.14 0.38 -0.09 0.00 -0.47 0.00 0.00 55.73 55.69 3hxw s ARG 60 Cb 0.10 0.19 -0.01 0.00 -0.57 0.00 0.00 34.95 34.67 3hxw s ARG 60 CO 0.16 -0.06 0.30 0.00 -1.08 0.00 0.00 175.30 174.63 3hxw s ALA 61 N 0.04 -0.03 -0.09 7.88 0.00 -0.58 -1.42 121.76 127.55 3hxw s ALA 61 Ca -0.01 -0.87 -0.08 0.00 0.00 0.00 0.00 51.96 51.00 3hxw s ALA 61 Cb -0.03 0.88 0.03 0.00 0.00 0.00 0.00 23.12 24.00 3hxw s ALA 61 CO 0.01 -0.66 0.25 -0.08 0.00 0.00 0.00 175.76 175.27 3hxw s THR 62 N -3.97 -0.01 0.05 0.00 -1.32 -0.16 -0.31 115.64 109.93 3hxw s THR 62 Ca 0.17 0.02 -0.06 0.00 -1.21 0.00 0.00 61.69 60.61 3hxw s THR 62 Cb 0.03 -0.35 -0.01 0.00 -1.51 0.00 0.00 72.50 70.66 3hxw s THR 62 CO 0.00 0.01 0.11 0.42 -2.21 0.00 0.00 174.62 172.96 3hxw s THR 63 N 0.30 0.15 -0.42 5.08 -4.23 -0.71 -1.53 115.64 114.27 3hxw s THR 63 Ca -0.01 -1.20 -0.05 0.00 -1.18 0.00 0.00 61.69 59.25 3hxw s THR 63 Cb -0.03 -1.11 0.11 0.00 1.34 0.00 0.00 72.50 72.81 3hxw s THR 63 CO -0.01 -0.66 0.23 -0.55 -0.54 0.00 0.00 174.62 173.08 3hxw s SER 64 N -2.44 5.37 -0.19 3.99 0.15 -1.26 -0.99 113.70 118.33 3hxw s SER 64 Ca -0.01 -1.91 -0.13 0.00 0.70 0.00 0.00 55.95 54.60 3hxw s SER 64 Cb 0.02 -1.88 -0.04 0.00 -1.71 0.00 0.00 66.02 62.41 3hxw s SER 64 CO -0.07 -0.56 0.29 -1.58 1.20 0.00 0.00 173.24 172.52 3hxw s GLN 65 N 1.22 4.19 0.07 5.44 2.00 -0.32 -4.30 119.66 127.96 3hxw s GLN 65 Ca 0.06 0.03 -0.31 0.00 -2.00 0.00 0.00 55.36 53.15 3hxw s GLN 65 Cb -0.23 -3.49 -0.06 0.00 0.80 0.00 0.00 33.01 30.03 3hxw s GLN 65 CO -0.03 0.11 1.19 -0.98 -0.50 0.00 0.00 175.29 175.09 3hxw s ARG 66 N 0.87 4.45 0.06 1.67 1.70 -1.26 -0.67 118.95 125.76 3hxw s ARG 66 Ca 0.15 1.76 0.06 0.00 -0.47 0.00 0.00 55.73 57.23 3hxw s ARG 66 Cb -0.13 -3.34 -0.03 0.00 -0.57 0.00 0.00 34.95 30.88 3hxw s ARG 66 CO 0.05 -0.23 -0.18 0.00 -1.08 0.00 0.00 175.30 173.86 3hxw s VAL 68 N -0.96 1.55 -0.68 0.00 1.01 0.05 -1.48 120.40 119.89 3hxw s VAL 68 Ca 0.04 -0.67 0.02 0.00 0.00 0.00 0.00 61.98 61.37 3hxw s VAL 68 Cb -0.09 -1.42 0.17 0.00 0.00 0.00 0.00 36.38 35.04 3hxw s VAL 68 CO 0.02 0.45 0.47 -0.13 0.00 0.00 0.00 175.10 175.92 3hxw s ARG 69 N 1.03 2.49 0.00 2.72 0.52 0.06 -4.34 118.95 121.43 3hxw s ARG 69 Ca -0.05 -3.03 0.00 0.00 -0.52 0.00 0.00 55.73 52.13 3hxw s ARG 69 Cb -0.15 -3.53 0.00 0.00 0.52 0.00 0.00 34.95 31.79 3hxw s ARG 69 CO -0.03 -1.22 0.98 0.00 0.02 0.00 0.00 175.30 175.05 3hxw n ALA 70 N 2.55 1.98 0.00 2.13 0.00 -1.24 -0.42 120.51 125.50 3hxw n ALA 70 Ca 0.14 -0.97 0.00 0.00 0.00 0.00 0.00 53.44 52.62 3hxw n ALA 70 Cb 0.35 -0.48 0.00 0.00 0.00 0.00 0.00 19.45 19.32 3hxw n ALA 70 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hxw n GLY 71 N 0.00 0.34 7.00 0.00 0.00 -1.26 -4.88 105.19 106.40 3hxw n GLY 71 Ca 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 45.04 3hxw n GLY 71 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hxw n GLY 72 N -0.33 1.07 0.28 -0.02 0.00 -1.26 -3.89 105.19 101.04 3hxw n GLY 72 Ca 0.00 -0.74 -0.10 0.00 0.00 0.00 0.00 46.02 45.18 3hxw n GLY 72 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3hxw h LYS 73 N 0.00 0.96 -4.83 1.61 1.63 -1.95 -3.40 116.57 110.59 3hxw h LYS 73 Ca 0.00 -0.33 -0.67 0.00 -0.85 0.00 0.00 60.65 58.80 3hxw h LYS 73 Cb 0.00 -0.08 -0.37 0.00 -0.60 0.00 0.00 32.23 31.19 3hxw h LYS 73 CO 0.00 0.99 -0.77 -1.01 -3.45 0.00 0.00 179.45 175.21 3hxw s HIS 74 N -4.95 3.34 -0.19 1.91 3.76 -1.25 -5.07 115.29 112.84 3hxw s HIS 74 Ca -0.12 -2.37 -0.03 0.00 -0.15 0.00 0.00 55.06 52.39 3hxw s HIS 74 Cb 0.12 -2.12 0.06 0.00 1.11 0.00 0.00 32.58 31.76 3hxw s HIS 74 CO 0.84 -0.88 0.04 1.21 -0.85 0.00 0.00 174.74 175.10 3hxw s ASN 75 N 1.10 2.87 -0.06 1.40 3.84 -1.26 -3.72 114.94 119.11 3hxw s ASN 75 Ca -0.05 -0.80 0.12 0.00 0.21 0.00 0.00 52.86 52.33 3hxw s ASN 75 Cb -0.20 -0.59 0.35 0.00 -0.55 0.00 0.00 41.25 40.26 3hxw s ASN 75 CO -0.05 -0.30 1.28 0.47 -2.79 0.00 0.00 177.10 175.71 3hxw n ASP 76 N 5.05 3.14 -0.25 -4.21 8.00 0.43 -4.72 116.55 123.99 3hxw n ASP 76 Ca -0.09 -2.35 0.04 0.00 0.71 0.00 0.00 54.79 53.10 3hxw n ASP 76 Cb 0.47 -0.32 0.17 0.00 -0.02 0.00 0.00 41.12 41.43 3hxw n ASP 76 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 3hxw h LEU 77 N 1.74 0.34 0.00 0.64 5.85 -1.85 -1.15 115.31 120.88 3hxw h LEU 77 Ca 0.00 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.81 3hxw h LEU 77 Cb 0.94 0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.03 3hxw h LEU 77 CO 0.07 0.16 0.00 -0.62 -0.34 0.00 0.00 178.44 177.71 3hxw n GLU 78 N -4.96 0.23 0.11 1.25 -0.58 -1.26 -2.54 120.64 112.89 3hxw n GLU 78 Ca 0.13 0.05 0.07 0.00 -0.42 0.00 0.00 57.16 56.99 3hxw n GLU 78 Cb 0.37 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.75 3hxw n GLU 78 CO 0.00 0.00 0.00 -0.91 -0.48 0.00 0.00 177.13 175.74 3hxw h ASN 79 N 0.00 0.00 -2.68 1.62 2.35 -1.56 -3.45 115.58 111.86 3hxw h ASN 79 Ca 0.00 0.00 -0.53 0.00 -0.55 0.00 0.00 56.30 55.22 3hxw h ASN 79 Cb 0.32 0.00 0.04 0.00 0.05 0.00 0.00 38.32 38.73 3hxw h ASN 79 CO 0.00 0.25 1.00 -0.69 -1.65 0.00 0.00 177.43 176.34 3hxw s VAL 80 N -3.15 2.60 0.00 2.81 1.01 -1.05 -1.21 120.40 121.41 3hxw s VAL 80 Ca 0.01 0.27 0.00 0.00 0.00 0.00 0.00 61.98 62.26 3hxw s VAL 80 Cb 0.08 -3.17 0.00 0.00 0.00 0.00 0.00 36.38 33.29 3hxw s VAL 80 CO 0.77 0.01 0.00 0.61 0.00 0.00 0.00 175.10 176.49 3hxw n GLY 81 N 3.99 2.12 0.00 4.51 0.00 -1.26 -4.82 105.19 109.73 3hxw n GLY 81 Ca 0.16 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.26 3hxw n GLY 81 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3hxw n TYR 82 N -2.00 0.00 -4.26 1.61 4.01 -0.35 -4.96 117.16 111.21 3hxw n TYR 82 Ca 0.00 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.60 3hxw n TYR 82 Cb 0.00 -0.15 -0.10 0.00 -0.31 0.00 0.00 39.34 38.78 3hxw n TYR 82 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 3hxw s THR 83 N -2.75 0.70 -2.46 -0.72 -4.23 -1.07 -5.04 115.64 100.07 3hxw s THR 83 Ca 0.01 -1.99 0.26 0.00 -1.18 0.00 0.00 61.69 58.79 3hxw s THR 83 Cb 0.11 -2.20 0.51 0.00 1.34 0.00 0.00 72.50 72.27 3hxw s THR 83 CO 0.67 -0.41 1.67 0.00 -0.54 0.00 0.00 174.62 176.01 3hxw n ALA 84 N -0.28 2.55 0.00 3.99 0.00 -1.26 -4.32 120.51 121.19 3hxw n ALA 84 Ca -0.06 -0.48 0.00 0.00 0.00 0.00 0.00 53.44 52.90 3hxw n ALA 84 Cb 0.64 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.96 3hxw n ALA 84 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 3hxw n ARG 85 N 0.27 5.46 -4.07 0.00 1.85 -1.26 -1.30 116.66 117.60 3hxw n ARG 85 Ca 0.18 0.00 -0.35 0.00 -1.00 0.00 0.00 57.85 56.69 3hxw n ARG 85 Cb 0.36 -0.47 -0.10 0.00 -1.05 0.00 0.00 32.46 31.20 3hxw n ARG 85 CO 0.00 0.00 0.00 -1.01 -0.01 0.00 0.00 177.63 176.61 3hxw s HIS 86 N -0.92 3.24 0.30 2.89 3.76 -1.26 -4.97 115.29 118.33 3hxw s HIS 86 Ca 0.00 0.08 0.07 0.00 -0.15 0.00 0.00 55.06 55.05 3hxw s HIS 86 Cb 0.00 -2.03 -0.06 0.00 1.11 0.00 0.00 32.58 31.60 3hxw s HIS 86 CO 0.00 0.20 -0.05 -1.01 -0.85 0.00 0.00 174.74 173.03 3hxw s HIS 87 N 0.16 2.08 -0.12 1.40 3.76 -1.26 -4.49 115.29 116.81 3hxw s HIS 87 Ca 0.04 -0.68 -0.16 0.00 -0.15 0.00 0.00 55.06 54.11 3hxw s HIS 87 Cb -0.12 -1.22 -0.14 0.00 1.11 0.00 0.00 32.58 32.20 3hxw s HIS 87 CO 0.01 0.32 0.39 1.79 -0.85 0.00 0.00 174.74 176.40 3hxw h THR 88 N 2.18 0.94 -3.25 1.30 1.35 -1.85 -3.43 112.91 110.14 3hxw h THR 88 Ca -0.41 -1.72 -0.60 0.00 -0.55 0.00 0.00 66.41 63.14 3hxw h THR 88 Cb 1.24 1.79 -0.10 0.00 -1.73 0.00 0.00 68.15 69.35 3hxw h THR 88 CO 0.69 0.32 -0.36 0.12 -0.25 0.00 0.00 175.52 176.04 3hxw s PHE 89 N -1.93 3.46 0.19 4.73 5.36 -1.26 -0.76 117.98 127.77 3hxw s PHE 89 Ca -0.11 0.55 -0.18 0.00 -0.96 0.00 0.00 56.93 56.24 3hxw s PHE 89 Cb -0.01 -2.29 0.03 0.00 -0.34 0.00 0.00 43.02 40.41 3hxw s PHE 89 CO 0.37 0.28 0.51 -0.59 -1.46 0.00 0.00 175.22 174.34 3hxw s PHE 90 N 0.34 -0.14 -0.17 10.12 -0.12 -0.55 -4.89 117.98 122.56 3hxw s PHE 90 Ca 0.15 -0.20 -0.08 0.00 -0.05 0.00 0.00 56.93 56.75 3hxw s PHE 90 Cb -0.13 0.38 -0.04 0.00 -0.63 0.00 0.00 43.02 42.60 3hxw s PHE 90 CO 0.03 -0.89 0.10 -1.21 -0.05 0.00 0.00 175.22 173.19 3hxw s GLU 91 N -3.86 3.92 -0.28 1.99 2.02 -1.26 -0.37 118.70 120.86 3hxw s GLU 91 Ca 0.08 -0.26 -0.07 0.00 0.02 0.00 0.00 54.97 54.74 3hxw s GLU 91 Cb -0.01 -3.27 -0.00 0.00 0.10 0.00 0.00 34.13 30.95 3hxw s GLU 91 CO -0.04 0.39 0.07 1.41 0.02 0.00 0.00 175.26 177.12 3hxw s MET 92 N 0.06 3.27 -0.26 1.61 -2.45 0.16 -1.35 119.30 120.34 3hxw s MET 92 Ca 0.08 -0.74 -0.24 0.00 -1.25 0.00 0.00 55.69 53.53 3hxw s MET 92 Cb -0.12 -3.35 -0.00 0.00 1.25 0.00 0.00 34.83 32.61 3hxw s MET 92 CO -0.00 -0.36 0.83 -0.51 1.05 0.00 0.00 175.02 176.03 3hxw s LEU 93 N 1.53 4.07 0.05 4.11 1.43 0.10 -1.18 118.68 128.80 3hxw s LEU 93 Ca 0.04 0.96 0.05 0.00 -1.03 0.00 0.00 54.13 54.15 3hxw s LEU 93 Cb -0.16 -3.18 -0.02 0.00 0.03 0.00 0.00 46.19 42.86 3hxw s LEU 93 CO 0.03 -0.55 -0.14 -0.83 0.23 0.00 0.00 176.35 175.09 3hxw s GLY 94 N 1.40 0.78 0.12 -3.19 0.00 -0.16 -0.07 107.32 106.20 3hxw s GLY 94 Ca 0.35 -0.85 0.10 0.00 0.00 0.00 0.00 44.72 44.32 3hxw s GLY 94 CO 0.09 -0.84 -0.26 0.54 0.00 0.00 0.00 173.10 172.62 3hxw s ASN 95 N -1.28 3.19 -0.01 1.64 4.22 -1.23 -1.74 114.94 119.73 3hxw s ASN 95 Ca 0.00 -0.73 0.01 0.00 -2.14 0.00 0.00 52.86 50.01 3hxw s ASN 95 Cb -0.08 -0.21 0.00 0.00 1.28 0.00 0.00 41.25 42.24 3hxw s ASN 95 CO 0.01 0.17 -0.04 -0.36 -2.04 0.00 0.00 177.10 174.84 3hxw s PHE 96 N -1.05 0.41 -0.22 1.54 0.08 0.58 -1.69 117.98 117.63 3hxw s PHE 96 Ca 0.13 -0.08 0.01 0.00 0.12 0.00 0.00 56.93 57.11 3hxw s PHE 96 Cb -0.10 -0.31 0.03 0.00 -0.57 0.00 0.00 43.02 42.07 3hxw s PHE 96 CO 0.05 -0.04 -0.14 0.45 -0.10 0.00 0.00 175.22 175.45 3hxw s SER 97 N 0.12 3.81 -1.05 1.36 0.15 -0.52 -1.53 113.70 116.03 3hxw s SER 97 Ca -0.01 -0.88 -0.10 0.00 0.70 0.00 0.00 55.95 55.66 3hxw s SER 97 Cb -0.04 -1.55 0.27 0.00 -1.71 0.00 0.00 66.02 62.98 3hxw s SER 97 CO -0.00 -0.08 1.04 -0.36 1.20 0.00 0.00 173.24 175.03 3hxw s PHE 98 N 1.26 4.17 -1.35 3.44 2.99 0.46 -1.47 117.98 127.48 3hxw s PHE 98 Ca 0.00 -2.57 -0.03 0.00 0.00 0.00 0.00 56.93 54.33 3hxw s PHE 98 Cb -0.16 -3.82 0.00 0.00 0.00 0.00 0.00 43.02 39.04 3hxw s PHE 98 CO -0.08 -0.95 0.44 0.41 -0.00 0.00 0.00 175.22 175.03 3hxw n GLY 99 N 2.94 -0.34 0.00 4.36 0.00 -1.26 -4.84 105.19 106.05 3hxw n GLY 99 Ca 0.22 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.20 3hxw n GLY 99 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3hxw n ASP 100 N -1.77 0.00 -5.01 1.61 -0.08 -1.26 -5.09 116.55 104.94 3hxw n ASP 100 Ca -0.11 0.00 -0.18 0.00 -1.51 0.00 0.00 54.79 52.98 3hxw n ASP 100 Cb 0.61 0.00 0.03 0.00 2.34 0.00 0.00 41.12 44.10 3hxw n ASP 100 CO 0.00 0.00 0.00 -0.72 0.12 0.00 0.00 177.20 176.60 3hxw s TYR 101 N 0.30 2.31 0.00 -0.67 -0.85 -1.26 -5.13 117.35 112.04 3hxw s TYR 101 Ca 0.00 -0.52 0.00 0.00 -0.52 0.00 0.00 57.07 56.03 3hxw s TYR 101 Cb 0.00 -2.31 0.00 0.00 0.38 0.00 0.00 41.96 40.03 3hxw s TYR 101 CO 0.00 -0.67 0.00 0.34 -1.52 0.00 0.00 175.55 173.70 3hxw n PHE 102 N -1.98 0.00 0.25 -3.49 7.35 -1.26 -4.62 117.46 113.71 3hxw n PHE 102 Ca 0.10 0.00 -0.16 0.00 -0.76 0.00 0.00 57.45 56.64 3hxw n PHE 102 Cb 0.60 0.00 -0.08 0.00 0.35 0.00 0.00 39.48 40.35 3hxw n PHE 102 CO 0.00 0.00 0.00 0.87 -0.76 0.00 0.00 176.76 176.87 3hxw h LYS 103 N 0.00 -0.67 0.11 -4.13 1.57 -1.99 -1.59 116.57 109.88 3hxw h LYS 103 Ca 0.00 0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 3hxw h LYS 103 Cb 0.00 0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.46 3hxw h LYS 103 CO 0.00 -0.44 -0.05 1.25 -0.57 0.00 0.00 179.45 179.63 3hxw h LEU 104 N -0.69 -0.13 -1.03 2.94 5.85 -1.97 -2.00 115.31 118.28 3hxw h LEU 104 Ca -0.04 -0.01 -0.10 0.00 0.84 0.00 0.00 57.88 58.57 3hxw h LEU 104 Cb 0.58 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.63 3hxw h LEU 104 CO 0.02 -0.08 -0.36 0.44 -0.34 0.00 0.00 178.44 178.13 3hxw h ASP 105 N -0.17 0.24 -0.18 1.25 3.32 -1.96 -0.33 116.42 118.60 3hxw h ASP 105 Ca -0.02 -0.09 0.00 0.00 0.02 0.00 0.00 57.03 56.94 3hxw h ASP 105 Cb 0.13 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 3hxw h ASP 105 CO 0.03 0.59 0.11 0.00 -1.72 0.00 0.00 179.24 178.25 3hxw h ALA 106 N 1.43 0.22 -0.50 3.45 0.00 -1.13 -0.67 119.26 122.06 3hxw h ALA 106 Ca 0.02 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 3hxw h ALA 106 Cb 0.73 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 3hxw h ALA 106 CO 0.06 -0.29 0.11 0.82 0.00 0.00 0.00 179.25 179.95 3hxw h ILE 107 N 0.23 1.24 -0.53 0.00 2.04 -1.04 -2.65 117.51 116.81 3hxw h ILE 107 Ca 0.06 -0.87 -0.02 0.00 1.00 0.00 0.00 64.86 65.03 3hxw h ILE 107 Cb -0.01 0.84 -0.02 0.00 -0.74 0.00 0.00 36.82 36.88 3hxw h ILE 107 CO -0.01 0.31 0.24 -0.07 0.00 0.00 0.00 178.15 178.62 3hxw h LEU 108 N 0.70 0.70 -0.36 1.44 3.38 -0.94 -1.10 115.31 119.14 3hxw h LEU 108 Ca 0.16 -0.14 0.05 0.00 0.09 0.00 0.00 57.88 58.04 3hxw h LEU 108 Cb 0.35 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.87 3hxw h LEU 108 CO 0.00 0.65 0.07 -0.26 0.09 0.00 0.00 178.44 178.99 3hxw h PHE 109 N 0.71 0.12 -0.20 1.13 0.05 -1.06 -0.11 116.94 117.58 3hxw h PHE 109 Ca 0.18 0.02 -0.02 0.00 3.82 0.00 0.00 57.97 61.97 3hxw h PHE 109 Cb 0.15 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 38.09 3hxw h PHE 109 CO -0.00 0.02 0.06 0.00 -0.18 0.00 0.00 178.31 178.20 3hxw h ALA 110 N 1.27 0.27 -0.84 2.45 0.00 -1.26 -1.90 119.26 119.24 3hxw h ALA 110 Ca 0.17 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 3hxw h ALA 110 Cb 0.19 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 3hxw h ALA 110 CO -0.22 -0.10 0.44 2.35 0.00 0.00 0.00 179.25 181.72 3hxw h TRP 111 N 0.15 1.17 0.04 0.00 2.91 -1.04 -1.74 115.95 117.44 3hxw h TRP 111 Ca 0.06 -0.04 -0.00 0.00 1.13 0.00 0.00 58.89 60.04 3hxw h TRP 111 Cb 0.25 -0.37 0.00 0.00 -0.51 0.00 0.00 29.16 28.53 3hxw h TRP 111 CO 0.01 0.83 -0.02 1.25 -1.03 0.00 0.00 178.44 179.48 3hxw h LEU 112 N 1.17 -0.04 -0.58 0.65 5.85 -0.85 0.05 115.31 121.56 3hxw h LEU 112 Ca 0.29 -0.11 0.02 0.00 0.84 0.00 0.00 57.88 58.91 3hxw h LEU 112 Cb 0.07 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.07 3hxw h LEU 112 CO -0.04 0.09 0.37 0.25 -0.34 0.00 0.00 178.44 178.77 3hxw h LEU 113 N -0.17 0.62 -0.37 2.25 5.85 -1.23 -0.81 115.31 121.45 3hxw h LEU 113 Ca -0.00 -0.01 -0.12 0.00 0.84 0.00 0.00 57.88 58.58 3hxw h LEU 113 Cb 0.15 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 3hxw h LEU 113 CO 0.01 0.44 -0.25 -0.07 -0.34 0.00 0.00 178.44 178.23 3hxw h LEU 114 N 0.74 0.87 0.00 2.25 3.38 -1.16 -0.61 115.31 120.78 3hxw h LEU 114 Ca 0.22 -0.43 0.00 0.00 0.09 0.00 0.00 57.88 57.76 3hxw h LEU 114 Cb -0.03 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.47 3hxw h LEU 114 CO -0.07 1.11 -0.37 0.35 0.09 0.00 0.00 178.44 179.55 3hxw n THR 115 N -4.21 0.00 -2.14 0.22 -2.24 -0.01 -0.20 114.28 105.70 3hxw n THR 115 Ca -0.02 -0.35 -0.41 0.00 -2.27 0.00 0.00 64.05 61.00 3hxw n THR 115 Cb 0.46 0.92 -0.02 0.00 -2.10 0.00 0.00 70.33 69.58 3hxw n THR 115 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3hxw s SER 116 N -1.62 6.81 0.60 3.42 0.15 -0.32 -4.28 113.70 118.47 3hxw s SER 116 Ca 0.01 2.60 0.30 0.00 0.70 0.00 0.00 55.95 59.57 3hxw s SER 116 Cb 0.04 -2.64 1.73 0.00 -1.71 0.00 0.00 66.02 63.44 3hxw s SER 116 CO 0.21 -0.53 2.11 1.05 1.20 0.00 0.00 173.24 177.28 3hxw h GLU 117 N 4.06 0.00 0.00 5.44 4.11 -1.93 0.02 114.58 126.28 3hxw h GLU 117 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.96 3hxw h GLU 117 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 3hxw h GLU 117 CO 0.70 0.00 -0.20 1.63 0.07 0.00 0.00 179.01 181.21 3hxw n LYS 118 N -3.67 0.17 0.00 1.06 5.02 -1.26 -4.78 118.16 114.70 3hxw n LYS 118 Ca 0.01 0.11 0.00 0.00 -2.02 0.00 0.00 58.31 56.41 3hxw n LYS 118 Cb 0.30 -1.67 0.00 0.00 -0.02 0.00 0.00 35.03 33.65 3hxw n LYS 118 CO 0.00 0.00 0.00 0.91 -0.52 0.00 0.00 177.40 177.79 3hxw n TRP 119 N -1.95 0.00 0.23 2.13 7.02 -0.09 -5.00 117.44 119.79 3hxw n TRP 119 Ca 0.05 0.00 0.11 0.00 -1.02 0.00 0.00 57.50 56.65 3hxw n TRP 119 Cb 0.40 0.00 0.44 0.00 -2.42 0.00 0.00 31.31 29.73 3hxw n TRP 119 CO 0.00 0.00 0.00 0.74 -2.02 0.00 0.00 177.69 176.41 3hxw h PHE 120 N 0.00 0.00 -6.27 -5.99 0.04 -1.18 -3.48 116.94 100.07 3hxw h PHE 120 Ca 0.00 0.00 -0.47 0.00 2.80 0.00 0.00 57.97 60.30 3hxw h PHE 120 Cb 0.00 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.13 3hxw h PHE 120 CO 0.00 0.16 -0.75 0.00 -0.60 0.00 0.00 178.31 177.12 3hxw n ALA 121 N -2.17 -1.28 -1.77 2.45 0.00 -0.73 -4.90 120.51 112.11 3hxw n ALA 121 Ca 0.01 0.22 -0.38 0.00 0.00 0.00 0.00 53.44 53.29 3hxw n ALA 121 Cb 0.44 -4.62 -0.01 0.00 0.00 0.00 0.00 19.45 15.25 3hxw n ALA 121 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3hxw s LEU 122 N -7.30 4.12 -0.11 0.00 1.43 0.72 -4.94 118.68 112.60 3hxw s LEU 122 Ca 0.67 2.35 -0.29 0.00 -1.03 0.00 0.00 54.13 55.82 3hxw s LEU 122 Cb -0.33 -4.11 -0.06 0.00 0.03 0.00 0.00 46.19 41.72 3hxw s LEU 122 CO 0.82 -0.79 1.96 -2.16 0.23 0.00 0.00 176.35 176.42 3hxw s PRO 123 N -2.47 3.73 0.46 1.29 0.04 -1.26 -4.61 135.00 132.19 3hxw s PRO 123 Ca 0.60 2.20 0.15 0.00 0.04 0.00 0.00 61.00 63.98 3hxw s PRO 123 Cb -0.30 -4.20 1.11 0.00 0.04 0.00 0.00 34.50 31.15 3hxw s PRO 123 CO 0.37 -1.41 2.03 0.87 0.04 0.00 0.00 177.00 178.91 3hxw h LYS 124 N 12.08 0.28 0.00 4.56 1.57 -1.92 -2.11 116.57 131.03 3hxw h LYS 124 Ca -0.43 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 3hxw h LYS 124 Cb 1.22 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.47 3hxw h LYS 124 CO 0.96 0.18 0.00 1.05 -0.57 0.00 0.00 179.45 181.07 3hxw h GLU 125 N 0.28 0.00 -0.09 3.15 9.09 -2.03 -2.19 114.58 122.79 3hxw h GLU 125 Ca 0.19 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.60 3hxw h GLU 125 Cb 0.39 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.49 3hxw h GLU 125 CO -0.04 0.00 0.00 0.54 0.05 0.00 0.00 179.01 179.56 3hxw n ARG 126 N -2.66 2.08 -3.78 1.06 1.74 -0.79 -4.90 116.66 109.41 3hxw n ARG 126 Ca 0.00 -1.59 -0.35 0.00 -0.77 0.00 0.00 57.85 55.14 3hxw n ARG 126 Cb 0.21 -1.47 -0.08 0.00 -1.02 0.00 0.00 32.46 30.10 3hxw n ARG 126 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3hxw s LEU 127 N -1.88 4.16 0.20 0.55 1.43 -0.83 -0.67 118.68 121.64 3hxw s LEU 127 Ca 0.33 0.22 0.11 0.00 -1.03 0.00 0.00 54.13 53.77 3hxw s LEU 127 Cb 0.20 -2.07 -0.04 0.00 0.03 0.00 0.00 46.19 44.31 3hxw s LEU 127 CO 0.31 0.20 -0.23 0.26 0.23 0.00 0.00 176.35 177.11 3hxw s TRP 128 N 0.26 2.31 0.07 0.29 0.52 -0.04 -4.97 118.94 117.38 3hxw s TRP 128 Ca 0.08 -0.35 0.05 0.00 0.02 0.00 0.00 56.10 55.89 3hxw s TRP 128 Cb -0.11 -1.13 -0.03 0.00 -1.15 0.00 0.00 33.47 31.05 3hxw s TRP 128 CO -0.01 0.52 -0.13 0.14 0.02 0.00 0.00 176.95 177.48 3hxw s VAL 129 N -1.74 1.04 0.08 4.03 -7.23 -0.60 -0.01 120.40 115.98 3hxw s VAL 129 Ca 0.22 -1.29 0.10 0.00 -1.81 0.00 0.00 61.98 59.20 3hxw s VAL 129 Cb -0.08 -1.02 -0.03 0.00 0.56 0.00 0.00 36.38 35.81 3hxw s VAL 129 CO 0.10 -0.25 -0.26 0.42 -0.31 0.00 0.00 175.10 174.79 3hxw s THR 130 N -1.32 2.17 0.13 5.32 -4.23 -0.25 -0.88 115.64 116.59 3hxw s THR 130 Ca -0.03 -1.56 0.06 0.00 -1.18 0.00 0.00 61.69 58.98 3hxw s THR 130 Cb -0.10 -1.89 -0.04 0.00 1.34 0.00 0.00 72.50 71.81 3hxw s THR 130 CO 0.02 0.23 -0.13 0.68 -0.54 0.00 0.00 174.62 174.88 3hxw s VAL 131 N -0.93 1.30 0.24 2.29 -7.23 0.13 -1.83 120.40 114.37 3hxw s VAL 131 Ca 0.13 -1.84 -0.30 0.00 -1.81 0.00 0.00 61.98 58.15 3hxw s VAL 131 Cb -0.10 -1.64 -0.10 0.00 0.56 0.00 0.00 36.38 35.10 3hxw s VAL 131 CO 0.04 -0.52 1.49 -0.47 -0.31 0.00 0.00 175.10 175.32 3hxw s TYR 132 N -2.53 2.99 0.31 2.82 5.04 -1.22 -0.71 117.35 124.06 3hxw s TYR 132 Ca 0.12 0.91 0.07 0.00 -2.44 0.00 0.00 57.07 55.73 3hxw s TYR 132 Cb -0.03 -3.87 0.80 0.00 0.35 0.00 0.00 41.96 39.21 3hxw s TYR 132 CO 0.03 -2.94 1.76 1.49 -1.34 0.00 0.00 175.55 174.54 3hxw h GLU 133 N 5.39 0.67 -0.00 4.97 4.81 -1.24 0.39 114.58 129.57 3hxw h GLU 133 Ca -0.45 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 3hxw h GLU 133 Cb 1.21 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.44 3hxw h GLU 133 CO 0.81 0.44 -0.06 -1.13 -0.73 0.00 0.00 179.01 178.34 3hxw n SER 134 N -4.82 0.54 -4.28 1.04 3.41 -1.26 -4.56 113.62 103.69 3hxw n SER 134 Ca 0.25 -0.86 -0.43 0.00 -0.26 0.00 0.00 58.87 57.57 3hxw n SER 134 Cb 0.65 -0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.55 3hxw n SER 134 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3hxw n ASP 135 N -0.75 5.09 0.19 4.04 -0.08 0.14 -4.76 116.55 120.42 3hxw n ASP 135 Ca 0.18 -3.00 0.03 0.00 -1.51 0.00 0.00 54.79 50.49 3hxw n ASP 135 Cb 0.25 -1.57 0.41 0.00 2.34 0.00 0.00 41.12 42.54 3hxw n ASP 135 CO 0.00 0.00 0.00 0.44 0.12 0.00 0.00 177.20 177.76 3hxw h ASP 136 N 6.76 0.02 -0.21 1.67 3.32 -1.81 -2.61 116.42 123.56 3hxw h ASP 136 Ca 0.37 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.39 3hxw h ASP 136 Cb 0.80 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.33 3hxw h ASP 136 CO 1.40 0.31 0.06 -0.33 -1.72 0.00 0.00 179.24 178.96 3hxw h GLU 137 N 0.02 0.32 -0.77 3.56 5.08 -1.97 -1.48 114.58 119.34 3hxw h GLU 137 Ca 0.00 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.26 3hxw h GLU 137 Cb 0.52 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.69 3hxw h GLU 137 CO 0.04 0.43 0.39 0.00 -1.00 0.00 0.00 179.01 178.87 3hxw h ALA 138 N 0.88 1.00 -0.04 3.43 0.00 -1.93 -1.50 119.26 121.09 3hxw h ALA 138 Ca 0.07 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.85 3hxw h ALA 138 Cb 0.25 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3hxw h ALA 138 CO -0.00 0.54 -0.03 -0.92 0.00 0.00 0.00 179.25 178.84 3hxw h TYR 139 N 1.08 -0.06 -0.78 0.00 3.20 -1.34 -2.12 116.97 116.96 3hxw h TYR 139 Ca 0.27 0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.16 3hxw h TYR 139 Cb 0.09 0.03 -0.04 0.00 1.54 0.00 0.00 36.73 38.35 3hxw h TYR 139 CO 0.01 -0.04 0.51 1.49 -1.64 0.00 0.00 178.16 178.48 3hxw h GLU 140 N -0.03 1.00 0.02 1.82 4.22 -1.05 -0.34 114.58 120.22 3hxw h GLU 140 Ca 0.03 -0.06 0.01 0.00 0.08 0.00 0.00 59.36 59.42 3hxw h GLU 140 Cb 0.07 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.08 3hxw h GLU 140 CO -0.06 0.66 -0.07 0.82 -2.18 0.00 0.00 179.01 178.18 3hxw h ILE 141 N 1.03 0.82 -0.56 2.32 2.04 -1.08 0.34 117.51 122.41 3hxw h ILE 141 Ca 0.29 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.13 3hxw h ILE 141 Cb -0.09 0.82 -0.03 0.00 -0.74 0.00 0.00 36.82 36.79 3hxw h ILE 141 CO -0.08 0.00 0.26 -0.50 0.00 0.00 0.00 178.15 177.83 3hxw h TRP 142 N -0.14 0.82 0.07 1.37 4.06 -1.16 0.35 115.95 121.32 3hxw h TRP 142 Ca 0.02 -0.05 -0.00 0.00 2.06 0.00 0.00 58.89 60.92 3hxw h TRP 142 Cb 0.16 -0.25 0.00 0.00 -1.00 0.00 0.00 29.16 28.07 3hxw h TRP 142 CO -0.13 0.64 -0.03 1.49 -3.56 0.00 0.00 178.44 176.85 3hxw h GLU 143 N 0.76 -0.09 0.00 0.49 4.81 -0.83 -0.38 114.58 119.34 3hxw h GLU 143 Ca 0.19 0.01 -0.33 0.00 -0.13 0.00 0.00 59.36 59.10 3hxw h GLU 143 Cb 0.14 0.02 -0.06 0.00 0.63 0.00 0.00 28.75 29.48 3hxw h GLU 143 CO -0.02 0.33 -2.23 1.63 -0.73 0.00 0.00 179.01 177.99 3hxw n LYS 144 N -4.92 0.81 -0.00 1.92 5.02 0.12 -3.19 118.16 117.90 3hxw n LYS 144 Ca -0.08 0.07 -0.19 0.00 -2.02 0.00 0.00 58.31 56.09 3hxw n LYS 144 Cb 0.24 -1.44 -0.14 0.00 -0.02 0.00 0.00 35.03 33.67 3hxw n LYS 144 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 3hxw h GLU 145 N 0.00 0.18 0.06 1.97 4.39 -1.17 -3.39 114.58 116.62 3hxw h GLU 145 Ca -0.48 -0.31 -0.20 0.00 0.34 0.00 0.00 59.36 58.71 3hxw h GLU 145 Cb 1.89 0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 30.65 3hxw h GLU 145 CO -0.04 1.15 -1.01 0.28 -1.16 0.00 0.00 179.01 178.24 3hxw h VAL 146 N -0.59 1.21 0.00 3.13 2.07 -1.07 -3.50 116.25 117.50 3hxw h VAL 146 Ca -0.14 -2.34 0.00 0.00 0.82 0.00 0.00 66.70 65.04 3hxw h VAL 146 Cb 1.44 2.78 0.00 0.00 -1.52 0.00 0.00 31.29 34.00 3hxw h VAL 146 CO 0.07 0.58 0.00 0.61 0.02 0.00 0.00 177.57 178.85 3hxw n GLY 147 N 1.63 1.78 3.71 2.17 0.00 -0.28 -5.03 105.19 109.17 3hxw n GLY 147 Ca -0.22 -0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.29 3hxw n GLY 147 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hxw s ILE 148 N -2.00 3.68 0.31 -0.61 1.01 -0.47 -4.97 121.20 118.15 3hxw s ILE 148 Ca 0.00 1.21 -0.29 0.00 0.00 0.00 0.00 60.65 61.57 3hxw s ILE 148 Cb 0.00 -3.77 -0.13 0.00 0.01 0.00 0.00 42.46 38.57 3hxw s ILE 148 CO 0.00 0.09 1.30 -2.65 0.00 0.00 0.00 174.94 173.69 3hxw n PRO 149 N 3.95 2.04 -0.03 2.79 -0.02 -1.26 -4.52 135.00 137.96 3hxw n PRO 149 Ca 0.10 0.72 0.20 0.00 -2.02 0.00 0.00 63.50 62.50 3hxw n PRO 149 Cb 0.44 -2.31 0.67 0.00 -0.02 0.00 0.00 33.50 32.28 3hxw n PRO 149 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hxw h ARG 150 N 3.00 0.05 0.00 -0.52 3.08 -1.94 -0.00 114.38 118.05 3hxw h ARG 150 Ca -0.45 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.59 3hxw h ARG 150 Cb 1.28 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.32 3hxw h ARG 150 CO 0.66 0.03 0.00 -0.85 -1.07 0.00 0.00 179.97 178.75 3hxw n GLU 151 N -4.39 0.17 -0.30 0.04 0.00 -1.26 -1.83 120.64 113.07 3hxw n GLU 151 Ca 0.11 0.47 0.07 0.00 0.00 0.00 0.00 57.16 57.81 3hxw n GLU 151 Cb 0.61 -1.88 0.20 0.00 0.00 0.00 0.00 31.44 30.38 3hxw n GLU 151 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 3hxw n ARG 152 N -2.21 2.95 -3.77 3.44 1.74 -0.02 -4.88 116.66 113.91 3hxw n ARG 152 Ca 0.01 -2.38 -0.37 0.00 -0.77 0.00 0.00 57.85 54.34 3hxw n ARG 152 Cb 0.17 -1.51 -0.13 0.00 -1.02 0.00 0.00 32.46 29.98 3hxw n ARG 152 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3hxw s ILE 153 N -1.69 3.80 -0.18 0.55 1.01 -0.76 -1.55 121.20 122.37 3hxw s ILE 153 Ca 0.32 -0.93 -0.04 0.00 0.00 0.00 0.00 60.65 60.00 3hxw s ILE 153 Cb 0.21 -3.05 -0.02 0.00 0.01 0.00 0.00 42.46 39.61 3hxw s ILE 153 CO 0.14 -0.04 -0.04 -0.63 0.00 0.00 0.00 174.94 174.38 3hxw s ILE 154 N 1.44 3.70 -0.14 2.92 -1.09 -0.06 -4.99 121.20 122.98 3hxw s ILE 154 Ca 0.00 -0.41 -0.19 0.00 -2.23 0.00 0.00 60.65 57.82 3hxw s ILE 154 Cb -0.18 -2.64 -0.04 0.00 -1.58 0.00 0.00 42.46 38.02 3hxw s ILE 154 CO 0.02 0.46 0.54 -0.13 -1.23 0.00 0.00 174.94 174.60 3hxw s ARG 155 N 0.80 4.30 -0.11 2.79 0.52 -1.26 -0.70 118.95 125.30 3hxw s ARG 155 Ca -0.01 0.53 0.03 0.00 -0.52 0.00 0.00 55.73 55.75 3hxw s ARG 155 Cb -0.15 -3.49 0.01 0.00 0.52 0.00 0.00 34.95 31.84 3hxw s ARG 155 CO 0.02 0.01 -0.20 0.42 0.02 0.00 0.00 175.30 175.57 3hxw s ILE 156 N 1.08 1.79 0.00 1.52 1.01 0.11 -4.83 121.20 121.88 3hxw s ILE 156 Ca 0.28 -0.84 0.00 0.00 0.00 0.00 0.00 60.65 60.08 3hxw s ILE 156 Cb -0.16 -1.59 0.00 0.00 0.01 0.00 0.00 42.46 40.73 3hxw s ILE 156 CO 0.11 0.50 0.00 0.61 0.00 0.00 0.00 174.94 176.16 3hxw n GLY 157 N 3.88 1.47 2.85 6.18 0.00 -1.26 -0.70 105.19 117.60 3hxw n GLY 157 Ca -0.20 -1.79 -0.42 0.00 0.00 0.00 0.00 46.02 43.61 3hxw n GLY 157 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3hxw n ASP 158 N 0.00 3.88 0.00 1.61 8.00 -1.26 -4.52 116.55 124.26 3hxw n ASP 158 Ca 0.00 -2.84 0.11 0.00 0.71 0.00 0.00 54.79 52.78 3hxw n ASP 158 Cb 0.00 -1.63 0.66 0.00 -0.02 0.00 0.00 41.12 40.13 3hxw n ASP 158 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 3hxw n ASN 159 N 6.50 0.00 -1.13 -2.24 6.94 -1.13 -3.07 115.26 121.13 3hxw n ASN 159 Ca 0.51 -1.00 0.08 0.00 -0.02 0.00 0.00 54.58 54.15 3hxw n ASN 159 Cb 0.40 0.00 0.27 0.00 -2.36 0.00 0.00 39.78 38.09 3hxw n ASN 159 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 3hxw n LYS 160 N -0.91 3.30 -0.59 -3.83 5.02 -0.44 -4.97 118.16 115.75 3hxw n LYS 160 Ca 0.17 -2.65 0.00 0.00 -2.02 0.00 0.00 58.31 53.81 3hxw n LYS 160 Cb 0.08 -1.71 0.00 0.00 -0.02 0.00 0.00 35.03 33.37 3hxw n LYS 160 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hxw n GLY 161 N 0.48 0.67 3.46 0.72 0.00 -1.17 -4.94 105.19 104.40 3hxw n GLY 161 Ca 0.21 -0.33 -0.14 0.00 0.00 0.00 0.00 46.02 45.76 3hxw n GLY 161 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hxw s ALA 162 N -2.00 -1.68 0.09 4.61 0.00 -1.26 -5.06 121.76 116.46 3hxw s ALA 162 Ca 0.00 0.82 -0.35 0.00 0.00 0.00 0.00 51.96 52.42 3hxw s ALA 162 Cb 0.00 0.53 -0.15 0.00 0.00 0.00 0.00 23.12 23.51 3hxw s ALA 162 CO 0.00 -0.62 1.51 -2.30 0.00 0.00 0.00 175.76 174.35 3hxw n PRO 163 N 0.08 1.69 -0.81 0.00 -0.02 -1.26 -0.87 135.00 133.81 3hxw n PRO 163 Ca -0.17 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 61.92 3hxw n PRO 163 Cb 0.62 -2.33 0.00 0.00 -0.02 0.00 0.00 33.50 31.77 3hxw n PRO 163 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3hxw n TYR 164 N 3.42 0.00 -2.97 6.00 4.01 -1.26 -4.94 117.16 121.41 3hxw n TYR 164 Ca 0.18 0.00 -0.44 0.00 -0.16 0.00 0.00 57.90 57.49 3hxw n TYR 164 Cb 0.24 -0.86 -0.04 0.00 -0.31 0.00 0.00 39.34 38.37 3hxw n TYR 164 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3hxw s ALA 165 N -2.17 3.29 -0.09 -0.72 0.00 -0.05 -4.77 121.76 117.25 3hxw s ALA 165 Ca 0.00 -2.17 -0.23 0.00 0.00 0.00 0.00 51.96 49.56 3hxw s ALA 165 Cb 0.00 -3.76 0.05 0.00 0.00 0.00 0.00 23.12 19.41 3hxw s ALA 165 CO 0.00 -2.64 0.54 0.45 0.00 0.00 0.00 175.76 174.11 3hxw s SER 166 N 3.62 -0.51 0.45 0.00 0.15 -1.26 -1.32 113.70 114.83 3hxw s SER 166 Ca 0.20 0.67 0.31 0.00 0.70 0.00 0.00 55.95 57.83 3hxw s SER 166 Cb -0.17 0.66 1.56 0.00 -1.71 0.00 0.00 66.02 66.36 3hxw s SER 166 CO 0.05 -0.44 1.94 0.44 1.20 0.00 0.00 173.24 176.43 3hxw h ASP 167 N 3.92 0.00 -0.23 5.45 3.32 -1.94 -2.83 116.42 124.12 3hxw h ASP 167 Ca -0.28 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.68 3hxw h ASP 167 Cb 1.16 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.66 3hxw h ASP 167 CO 0.32 0.00 -0.11 0.59 -1.72 0.00 0.00 179.24 178.32 3hxw n ASN 168 N -2.63 2.68 -3.66 6.45 4.13 -1.26 -4.83 115.26 116.15 3hxw n ASN 168 Ca -0.01 -3.51 -0.25 0.00 1.68 0.00 0.00 54.58 52.48 3hxw n ASN 168 Cb 0.12 -0.57 -0.17 0.00 -1.54 0.00 0.00 39.78 37.62 3hxw n ASN 168 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 3hxw s PHE 169 N -3.09 0.39 -0.15 3.10 5.36 -1.07 -1.18 117.98 121.35 3hxw s PHE 169 Ca 0.41 -0.36 -0.12 0.00 -0.96 0.00 0.00 56.93 55.91 3hxw s PHE 169 Cb 0.37 -0.75 -0.05 0.00 -0.34 0.00 0.00 43.02 42.25 3hxw s PHE 169 CO 0.01 -0.48 0.25 -0.46 -1.46 0.00 0.00 175.22 173.08 3hxw s TRP 170 N 2.07 3.49 -0.08 10.12 -0.00 -0.26 -4.42 118.94 129.86 3hxw s TRP 170 Ca 0.02 0.56 0.05 0.00 -0.00 0.00 0.00 56.10 56.73 3hxw s TRP 170 Cb -0.16 -2.24 -0.00 0.00 -0.00 0.00 0.00 33.47 31.07 3hxw s TRP 170 CO -0.08 0.36 -0.23 -0.65 -0.00 0.00 0.00 176.95 176.34 3hxw s GLN 171 N 0.09 2.77 0.20 5.86 -0.21 -1.26 -2.01 119.66 125.10 3hxw s GLN 171 Ca 0.15 -0.85 -0.10 0.00 0.02 0.00 0.00 55.36 54.57 3hxw s GLN 171 Cb -0.13 -2.18 0.13 0.00 1.00 0.00 0.00 33.01 31.84 3hxw s GLN 171 CO 0.03 0.24 1.83 1.98 -2.12 0.00 0.00 175.29 177.25 3hxw h MET 172 N 6.50 0.99 0.00 2.91 1.85 -1.78 -3.48 114.93 121.93 3hxw h MET 172 Ca -0.24 -0.10 0.00 0.00 -0.61 0.00 0.00 59.70 58.74 3hxw h MET 172 Cb 1.21 -0.20 0.00 0.00 0.43 0.00 0.00 31.60 33.05 3hxw h MET 172 CO 0.47 0.72 0.00 0.41 -0.40 0.00 0.00 176.91 178.11 3hxw n GLY 173 N -1.12 1.79 0.26 1.39 0.00 -1.26 -4.83 105.19 101.42 3hxw n GLY 173 Ca 0.06 -0.83 0.09 0.00 0.00 0.00 0.00 46.02 45.34 3hxw n GLY 173 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3hxw h ASP 174 N 0.00 0.00 -3.01 1.61 3.45 -1.94 -3.41 116.42 113.12 3hxw h ASP 174 Ca 0.00 0.00 -0.48 0.00 0.43 0.00 0.00 57.03 56.98 3hxw h ASP 174 Cb 0.00 0.00 -0.14 0.00 -0.56 0.00 0.00 39.33 38.63 3hxw h ASP 174 CO 0.00 0.05 -0.71 0.42 -1.57 0.00 0.00 179.24 177.43 3hxw s THR 175 N -4.84 1.75 0.00 0.35 -4.23 -1.26 -4.40 115.64 103.01 3hxw s THR 175 Ca -0.05 -2.19 0.00 0.00 -1.18 0.00 0.00 61.69 58.28 3hxw s THR 175 Cb 0.16 -2.25 0.00 0.00 1.34 0.00 0.00 72.50 71.75 3hxw s THR 175 CO 0.65 -0.44 0.00 0.61 -0.54 0.00 0.00 174.62 174.89 3hxw n GLY 176 N -0.49 1.83 3.65 3.99 0.00 -0.93 -4.70 105.19 108.54 3hxw n GLY 176 Ca -0.07 -2.18 -0.44 0.00 0.00 0.00 0.00 46.02 43.33 3hxw n GLY 176 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3hxw n PRO 177 N -0.61 1.82 -3.88 1.61 -0.02 -1.26 -0.93 135.00 131.73 3hxw n PRO 177 Ca 0.00 0.64 -0.08 0.00 -2.02 0.00 0.00 63.50 62.04 3hxw n PRO 177 Cb 0.00 -2.17 -0.03 0.00 -0.02 0.00 0.00 33.50 31.28 3hxw n PRO 177 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hxw n GLY 179 N -0.42 0.65 3.75 0.00 0.00 -0.85 -1.35 105.19 106.96 3hxw n GLY 179 Ca -0.04 -0.93 -0.35 0.00 0.00 0.00 0.00 46.02 44.70 3hxw n GLY 179 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3hxw s PRO 180 N -2.00 2.71 0.09 1.61 0.04 -1.24 -1.10 135.00 135.11 3hxw s PRO 180 Ca 0.00 1.78 -0.03 0.00 0.04 0.00 0.00 61.00 62.79 3hxw s PRO 180 Cb 0.00 -1.90 -0.03 0.00 0.04 0.00 0.00 34.50 32.61 3hxw s PRO 180 CO 0.00 -1.40 0.05 0.00 0.04 0.00 0.00 177.00 175.70 3hxw s THR 182 N -3.95 1.36 0.05 0.00 -1.32 0.02 -3.42 115.64 108.37 3hxw s THR 182 Ca 0.13 -0.68 0.09 0.00 -1.21 0.00 0.00 61.69 60.02 3hxw s THR 182 Cb 0.07 -1.17 -0.03 0.00 -1.51 0.00 0.00 72.50 69.85 3hxw s THR 182 CO -0.06 0.40 -0.24 -1.61 -2.21 0.00 0.00 174.62 170.90 3hxw s GLU 183 N 0.07 1.87 -0.19 7.08 2.02 -0.76 -0.65 118.70 128.15 3hxw s GLU 183 Ca -0.04 -1.08 -0.05 0.00 0.02 0.00 0.00 54.97 53.82 3hxw s GLU 183 Cb -0.11 -2.04 -0.03 0.00 0.10 0.00 0.00 34.13 32.04 3hxw s GLU 183 CO 0.02 0.52 0.00 0.42 0.02 0.00 0.00 175.26 176.24 3hxw s ILE 184 N -0.86 4.12 0.03 -1.63 1.01 0.28 -1.09 121.20 123.06 3hxw s ILE 184 Ca 0.13 -0.26 0.06 0.00 0.00 0.00 0.00 60.65 60.57 3hxw s ILE 184 Cb -0.10 -2.85 -0.03 0.00 0.01 0.00 0.00 42.46 39.49 3hxw s ILE 184 CO 0.03 0.45 -0.13 -0.36 0.00 0.00 0.00 174.94 174.93 3hxw s PHE 185 N 0.71 2.70 -0.15 3.97 0.40 0.99 -0.61 117.98 125.99 3hxw s PHE 185 Ca 0.00 -0.17 -0.01 0.00 -0.60 0.00 0.00 56.93 56.15 3hxw s PHE 185 Cb -0.14 -1.52 -0.01 0.00 0.51 0.00 0.00 43.02 41.86 3hxw s PHE 185 CO 0.02 0.31 -0.11 -0.47 0.70 0.00 0.00 175.22 175.67 3hxw s TYR 186 N -0.98 2.85 -0.49 0.36 5.04 -0.10 -0.86 117.35 123.18 3hxw s TYR 186 Ca 0.16 -0.74 -0.27 0.00 -2.44 0.00 0.00 57.07 53.78 3hxw s TYR 186 Cb -0.11 -1.90 0.03 0.00 0.35 0.00 0.00 41.96 40.33 3hxw s TYR 186 CO 0.07 -0.30 1.05 0.34 -1.34 0.00 0.00 175.55 175.37 3hxw s ASP 187 N 0.62 6.54 0.00 4.32 2.15 0.15 -1.43 116.67 129.02 3hxw s ASP 187 Ca -0.06 0.24 0.23 0.00 0.43 0.00 0.00 52.55 53.38 3hxw s ASP 187 Cb -0.15 -2.50 1.01 0.00 -0.30 0.00 0.00 42.92 40.97 3hxw s ASP 187 CO 0.03 -1.20 1.74 1.41 -0.17 0.00 0.00 175.17 176.97 3hxw n HIS 188 N 7.63 0.00 0.00 -5.34 8.25 0.13 -4.95 115.22 120.93 3hxw n HIS 188 Ca 0.09 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.55 3hxw n HIS 188 Cb 0.49 -0.46 0.00 0.00 1.12 0.00 0.00 29.99 31.14 3hxw n HIS 188 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3hxw n GLY 189 N 0.82 1.53 0.00 -1.41 0.00 -1.26 -4.78 105.19 100.09 3hxw n GLY 189 Ca 0.07 -2.07 0.12 0.00 0.00 0.00 0.00 46.02 44.14 3hxw n GLY 189 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3hxw n ASP 190 N 0.00 0.00 -0.02 1.61 5.68 -1.26 -2.27 116.55 120.29 3hxw n ASP 190 Ca 0.00 -0.46 0.14 0.00 -0.50 0.00 0.00 54.79 53.98 3hxw n ASP 190 Cb 0.00 -0.13 0.67 0.00 -1.14 0.00 0.00 41.12 40.52 3hxw n ASP 190 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 3hxw n HIS 191 N -1.13 0.00 -4.90 2.11 8.25 -1.26 -4.75 115.22 113.54 3hxw n HIS 191 Ca 0.15 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.29 3hxw n HIS 191 Cb 0.13 -0.32 -0.13 0.00 1.12 0.00 0.00 29.99 30.78 3hxw n HIS 191 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3hxw s ILE 192 N -2.69 2.99 0.29 1.59 -1.09 -0.96 -5.11 121.20 116.21 3hxw s ILE 192 Ca 0.24 -0.74 -0.29 0.00 -2.23 0.00 0.00 60.65 57.62 3hxw s ILE 192 Cb 0.20 -2.18 -0.10 0.00 -1.58 0.00 0.00 42.46 38.81 3hxw s ILE 192 CO 0.50 0.58 1.18 0.86 -1.23 0.00 0.00 174.94 176.82 3hxw s TRP 193 N -0.55 3.39 0.00 3.97 -0.00 -1.26 -4.67 118.94 119.82 3hxw s TRP 193 Ca 0.08 1.58 0.00 0.00 -0.00 0.00 0.00 56.10 57.76 3hxw s TRP 193 Cb -0.11 -3.43 0.00 0.00 -0.00 0.00 0.00 33.47 29.92 3hxw s TRP 193 CO 0.01 -1.05 0.00 0.41 -0.00 0.00 0.00 176.95 176.32 3hxw n GLY 194 N 1.13 4.36 3.63 5.86 0.00 -1.26 -2.74 105.19 116.18 3hxw n GLY 194 Ca -0.00 -1.33 -0.27 0.00 0.00 0.00 0.00 46.02 44.41 3hxw n GLY 194 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hxw s GLY 195 N 0.00 2.44 0.90 -0.02 0.00 0.87 -4.81 107.32 106.70 3hxw s GLY 195 Ca 0.00 -2.25 -0.11 0.00 0.00 0.00 0.00 44.72 42.36 3hxw s GLY 195 CO 0.00 -2.06 1.10 2.56 0.00 0.00 0.00 173.10 174.70 3hxw s PRO 196 N -3.73 1.18 0.43 2.90 0.04 -1.26 -3.86 135.00 130.70 3hxw s PRO 196 Ca 0.36 1.15 -0.25 0.00 0.04 0.00 0.00 61.00 62.30 3hxw s PRO 196 Cb 0.08 -1.78 -0.10 0.00 0.04 0.00 0.00 34.50 32.75 3hxw s PRO 196 CO 0.19 -2.39 1.19 -0.35 0.04 0.00 0.00 177.00 175.68 3hxw n PRO 197 N -4.03 1.73 0.00 0.56 -0.04 -1.26 -1.71 135.00 130.25 3hxw n PRO 197 Ca 0.09 0.62 0.00 0.00 -0.04 0.00 0.00 63.50 64.16 3hxw n PRO 197 Cb 0.53 -2.28 0.00 0.00 -0.04 0.00 0.00 33.50 31.71 3hxw n PRO 197 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3hxw n GLY 198 N 0.93 1.91 3.94 0.55 0.00 -1.26 -4.99 105.19 106.27 3hxw n GLY 198 Ca 0.08 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.86 3hxw n GLY 198 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hxw s SER 199 N -2.43 5.79 0.54 1.61 1.04 -0.70 -4.99 113.70 114.56 3hxw s SER 199 Ca 0.00 0.38 0.21 0.00 0.48 0.00 0.00 55.95 57.02 3hxw s SER 199 Cb 0.00 -1.57 1.39 0.00 0.10 0.00 0.00 66.02 65.93 3hxw s SER 199 CO 0.00 -0.77 2.12 -0.65 0.98 0.00 0.00 173.24 174.92 3hxw h PRO 200 N 0.28 0.00 -0.64 4.02 0.11 -1.96 -2.39 132.00 131.42 3hxw h PRO 200 Ca -0.46 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 65.46 3hxw h PRO 200 Cb 1.25 0.00 -0.11 0.00 0.11 0.00 0.00 31.00 32.25 3hxw h PRO 200 CO 0.58 0.00 0.21 0.39 -0.21 0.00 0.00 178.00 178.97 3hxw n GLU 201 N -4.37 3.39 0.28 1.05 1.02 -1.26 -4.64 120.64 116.12 3hxw n GLU 201 Ca 0.00 -3.07 0.14 0.00 -0.02 0.00 0.00 57.16 54.20 3hxw n GLU 201 Cb 0.22 -2.13 0.83 0.00 -0.02 0.00 0.00 31.44 30.35 3hxw n GLU 201 CO 0.00 0.00 0.00 1.05 1.18 0.00 0.00 177.13 179.36 3hxw h GLU 202 N 2.34 0.00 0.00 3.49 4.11 -1.53 0.26 114.58 123.25 3hxw h GLU 202 Ca 0.23 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.66 3hxw h GLU 202 Cb 2.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.41 3hxw h GLU 202 CO 0.64 0.04 0.00 -3.47 0.07 0.00 0.00 179.01 176.29 3hxw n ASP 203 N -3.87 0.00 -4.70 3.06 2.03 -1.26 -4.76 116.55 107.05 3hxw n ASP 203 Ca -0.03 -0.35 -0.29 0.00 0.52 0.00 0.00 54.79 54.64 3hxw n ASP 203 Cb 0.13 -0.19 0.15 0.00 -0.72 0.00 0.00 41.12 40.49 3hxw n ASP 203 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 3hxw s GLY 204 N -2.38 1.60 0.00 0.27 0.00 -0.96 -4.95 107.32 100.90 3hxw s GLY 204 Ca 0.31 -0.14 0.17 0.00 0.00 0.00 0.00 44.72 45.05 3hxw s GLY 204 CO 0.38 0.38 1.49 1.22 0.00 0.00 0.00 173.10 176.57 3hxw n ASP 205 N -3.97 1.26 0.17 1.64 8.00 -1.16 -4.30 116.55 118.18 3hxw n ASP 205 Ca 0.06 -1.73 -0.11 0.00 0.71 0.00 0.00 54.79 53.73 3hxw n ASP 205 Cb 0.56 -0.10 -0.06 0.00 -0.02 0.00 0.00 41.12 41.49 3hxw n ASP 205 CO 0.00 0.00 0.00 -0.09 -0.39 0.00 0.00 177.20 176.72 3hxw h ARG 206 N 1.58 -0.47 -4.59 -1.24 2.43 -1.79 -3.40 114.38 106.91 3hxw h ARG 206 Ca 0.00 0.03 -0.71 0.00 -0.81 0.00 0.00 59.98 58.49 3hxw h ARG 206 Cb 0.35 0.11 -0.21 0.00 -0.42 0.00 0.00 29.97 29.80 3hxw h ARG 206 CO 0.00 -0.17 0.06 0.71 -1.51 0.00 0.00 179.97 179.06 3hxw s TYR 207 N -3.82 3.04 -0.14 2.20 2.02 -1.26 -0.70 117.35 118.69 3hxw s TYR 207 Ca -0.11 -1.02 -0.15 0.00 -0.37 0.00 0.00 57.07 55.41 3hxw s TYR 207 Cb 0.01 -3.98 -0.04 0.00 -0.40 0.00 0.00 41.96 37.55 3hxw s TYR 207 CO 0.39 -1.25 0.37 0.42 -1.57 0.00 0.00 175.55 173.91 3hxw s ILE 208 N 2.50 5.26 -0.32 2.71 -1.09 -0.52 -4.84 121.20 124.90 3hxw s ILE 208 Ca 0.10 0.71 -0.29 0.00 -2.23 0.00 0.00 60.65 58.94 3hxw s ILE 208 Cb -0.25 -3.70 -0.02 0.00 -1.58 0.00 0.00 42.46 36.91 3hxw s ILE 208 CO 0.06 0.37 1.70 -0.70 -1.23 0.00 0.00 174.94 175.14 3hxw s GLU 209 N 0.48 3.47 -0.24 2.79 2.12 -1.26 -0.92 118.70 125.14 3hxw s GLU 209 Ca 0.20 1.40 0.00 0.00 0.36 0.00 0.00 54.97 56.94 3hxw s GLU 209 Cb -0.14 -4.14 -0.19 0.00 0.26 0.00 0.00 34.13 29.93 3hxw s GLU 209 CO 0.07 -1.70 -0.12 0.44 -0.54 0.00 0.00 175.26 173.40 3hxw n ILE 210 N 7.18 1.54 -3.71 -3.70 -5.35 0.22 -4.86 119.36 110.69 3hxw n ILE 210 Ca 0.21 -0.58 -0.17 0.00 -0.27 0.00 0.00 62.75 61.94 3hxw n ILE 210 Cb 0.47 -1.49 -0.17 0.00 -1.74 0.00 0.00 39.64 36.71 3hxw n ILE 210 CO 0.00 0.00 0.00 0.86 -1.76 0.00 0.00 176.55 175.65 3hxw s TRP 211 N -2.53 -0.02 -0.19 4.28 -0.11 -1.10 -2.58 118.94 116.69 3hxw s TRP 211 Ca -0.33 0.32 -0.06 0.00 1.22 0.00 0.00 56.10 57.26 3hxw s TRP 211 Cb 0.09 -0.32 -0.03 0.00 -1.50 0.00 0.00 33.47 31.71 3hxw s TRP 211 CO 0.63 -0.17 0.01 1.21 -4.62 0.00 0.00 176.95 174.01 3hxw s ASN 212 N 1.76 5.09 -0.29 5.86 2.47 -0.03 -0.56 114.94 129.23 3hxw s ASN 212 Ca -0.01 -0.10 -0.01 0.00 0.42 0.00 0.00 52.86 53.16 3hxw s ASN 212 Cb -0.12 -1.86 0.05 0.00 -1.45 0.00 0.00 41.25 37.86 3hxw s ASN 212 CO -0.04 0.12 -0.02 -0.63 -3.72 0.00 0.00 177.10 172.81 3hxw s ILE 213 N 0.67 2.89 -0.20 -5.21 1.01 0.18 -0.97 121.20 119.56 3hxw s ILE 213 Ca 0.00 -1.38 -0.09 0.00 0.00 0.00 0.00 60.65 59.19 3hxw s ILE 213 Cb -0.14 -2.65 -0.04 0.00 0.01 0.00 0.00 42.46 39.64 3hxw s ILE 213 CO 0.02 -0.07 0.10 -0.69 0.00 0.00 0.00 174.94 174.29 3hxw s VAL 214 N 1.24 5.00 -0.83 2.92 1.01 0.10 -0.80 120.40 129.04 3hxw s VAL 214 Ca -0.05 0.04 -0.17 0.00 0.00 0.00 0.00 61.98 61.80 3hxw s VAL 214 Cb -0.20 -3.28 0.15 0.00 0.00 0.00 0.00 36.38 33.06 3hxw s VAL 214 CO -0.02 0.42 0.93 -0.36 0.00 0.00 0.00 175.10 176.08 3hxw s PHE 215 N 0.60 3.30 -0.02 5.22 0.08 0.14 -1.07 117.98 126.23 3hxw s PHE 215 Ca 0.05 -1.50 -0.30 0.00 0.12 0.00 0.00 56.93 55.30 3hxw s PHE 215 Cb -0.13 -4.08 -0.07 0.00 -0.57 0.00 0.00 43.02 38.18 3hxw s PHE 215 CO 0.01 -1.29 1.73 -1.64 -0.10 0.00 0.00 175.22 173.93 3hxw s MET 216 N 1.87 4.17 0.00 0.44 -1.94 0.23 -3.59 119.30 120.49 3hxw s MET 216 Ca 0.24 2.30 0.00 0.00 -1.71 0.00 0.00 55.69 56.52 3hxw s MET 216 Cb -0.10 -4.00 0.00 0.00 2.01 0.00 0.00 34.83 32.74 3hxw s MET 216 CO -0.06 -0.86 0.00 1.04 -0.01 0.00 0.00 175.02 175.12 3hxw n GLN 217 N 7.11 2.44 -4.21 2.03 1.13 -0.45 -1.69 117.38 123.74 3hxw n GLN 217 Ca 0.18 0.00 -0.12 0.00 -1.94 0.00 0.00 57.00 55.12 3hxw n GLN 217 Cb 0.42 -0.70 -0.10 0.00 0.11 0.00 0.00 30.24 29.97 3hxw n GLN 217 CO 0.00 0.00 0.00 -0.06 -1.44 0.00 0.00 177.06 175.56 3hxw s PHE 218 N -1.15 1.06 -0.28 1.08 0.08 -0.49 -0.75 117.98 117.52 3hxw s PHE 218 Ca 0.00 -0.87 -0.04 0.00 0.12 0.00 0.00 56.93 56.14 3hxw s PHE 218 Cb 0.00 -0.58 0.02 0.00 -0.57 0.00 0.00 43.02 41.89 3hxw s PHE 218 CO 0.00 -0.07 0.02 1.21 -0.10 0.00 0.00 175.22 176.27 3hxw s ASN 219 N -3.10 4.78 0.19 1.36 2.47 0.32 -0.68 114.94 120.28 3hxw s ASN 219 Ca 0.15 -0.84 -0.30 0.00 0.42 0.00 0.00 52.86 52.29 3hxw s ASN 219 Cb 0.04 -1.78 -0.08 0.00 -1.45 0.00 0.00 41.25 37.99 3hxw s ASN 219 CO -0.02 -0.18 1.09 -0.60 -3.72 0.00 0.00 177.10 173.67 3hxw s ARG 220 N 1.40 4.61 0.33 0.43 3.52 -0.11 -1.76 118.95 127.38 3hxw s ARG 220 Ca 0.01 1.71 0.03 0.00 -0.13 0.00 0.00 55.73 57.34 3hxw s ARG 220 Cb -0.17 -3.27 -0.02 0.00 -1.56 0.00 0.00 34.95 29.92 3hxw s ARG 220 CO -0.01 0.11 0.50 -0.65 -0.81 0.00 0.00 175.30 174.44 3hxw s GLN 221 N -0.48 3.33 0.48 5.12 -1.52 0.01 -2.18 119.66 124.42 3hxw s GLN 221 Ca 0.49 -0.61 0.13 0.00 -1.95 0.00 0.00 55.36 53.42 3hxw s GLN 221 Cb -0.29 -2.74 1.12 0.00 -0.22 0.00 0.00 33.01 30.88 3hxw s GLN 221 CO 0.35 0.14 2.10 0.00 -0.25 0.00 0.00 175.29 177.63 3hxw h ALA 222 N 0.84 1.94 0.00 6.09 0.00 -1.88 -0.12 119.26 126.12 3hxw h ALA 222 Ca -0.49 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3hxw h ALA 222 Cb 1.23 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3hxw h ALA 222 CO 0.59 0.03 0.00 -0.40 0.00 0.00 0.00 179.25 179.47 3hxw n ASP 223 N -4.50 0.00 0.00 0.00 3.85 -1.26 -4.89 116.55 109.75 3hxw n ASP 223 Ca 0.01 -0.10 0.00 0.00 -0.71 0.00 0.00 54.79 53.99 3hxw n ASP 223 Cb 0.14 -0.29 0.00 0.00 -1.35 0.00 0.00 41.12 39.62 3hxw n ASP 223 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3hxw n GLY 224 N 1.07 0.46 3.81 6.12 0.00 -0.06 -5.07 105.19 111.52 3hxw n GLY 224 Ca 0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 3hxw n GLY 224 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hxw s THR 225 N -2.10 4.36 -0.31 2.61 -4.23 -1.26 -4.77 115.64 109.94 3hxw s THR 225 Ca 0.00 1.53 -0.08 0.00 -1.18 0.00 0.00 61.69 61.96 3hxw s THR 225 Cb 0.00 -3.65 0.00 0.00 1.34 0.00 0.00 72.50 70.19 3hxw s THR 225 CO 0.00 -0.26 0.12 -0.04 -0.54 0.00 0.00 174.62 173.90 3hxw s MET 226 N -3.03 3.19 -0.21 3.99 -1.94 -1.26 -0.81 119.30 119.22 3hxw s MET 226 Ca 0.60 -0.81 -0.11 0.00 -1.71 0.00 0.00 55.69 53.67 3hxw s MET 226 Cb -0.10 -3.48 -0.05 0.00 2.01 0.00 0.00 34.83 33.21 3hxw s MET 226 CO 0.14 -0.45 0.16 -1.21 -0.01 0.00 0.00 175.02 173.66 3hxw s GLU 227 N 1.55 4.15 0.30 2.03 2.02 -0.72 -4.91 118.70 123.12 3hxw s GLU 227 Ca 0.03 -0.21 -0.30 0.00 0.02 0.00 0.00 54.97 54.52 3hxw s GLU 227 Cb -0.17 -3.47 -0.12 0.00 0.10 0.00 0.00 34.13 30.46 3hxw s GLU 227 CO 0.04 0.19 1.46 -2.30 0.02 0.00 0.00 175.26 174.67 3hxw n PRO 228 N 3.86 2.38 -2.42 0.39 -0.02 -1.26 0.12 135.00 138.04 3hxw n PRO 228 Ca -0.15 0.84 -0.35 0.00 -2.02 0.00 0.00 63.50 61.82 3hxw n PRO 228 Cb 0.52 -2.53 -0.02 0.00 -0.02 0.00 0.00 33.50 31.44 3hxw n PRO 228 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3hxw s LEU 229 N -0.68 3.92 0.21 2.45 1.43 0.07 -4.69 118.68 121.39 3hxw s LEU 229 Ca 0.61 2.08 -0.09 0.00 -1.03 0.00 0.00 54.13 55.71 3hxw s LEU 229 Cb -0.55 -4.42 0.27 0.00 0.03 0.00 0.00 46.19 41.52 3hxw s LEU 229 CO 0.54 -0.84 1.79 -0.65 0.23 0.00 0.00 176.35 177.42 3hxw h PRO 230 N 1.78 0.60 -4.38 1.29 0.11 -1.82 -3.40 132.00 126.17 3hxw h PRO 230 Ca -0.49 -0.04 -0.54 0.00 0.11 0.00 0.00 66.00 65.04 3hxw h PRO 230 Cb 1.23 -0.14 -0.36 0.00 0.11 0.00 0.00 31.00 31.85 3hxw h PRO 230 CO 0.59 0.40 -0.81 0.15 -0.21 0.00 0.00 178.00 178.12 3hxw s LYS 231 N -6.08 1.75 0.22 1.05 1.02 -1.26 -5.11 119.74 111.33 3hxw s LYS 231 Ca -0.13 -0.35 -0.32 0.00 0.02 0.00 0.00 55.97 55.19 3hxw s LYS 231 Cb 0.17 -1.69 -0.13 0.00 -0.52 0.00 0.00 37.83 35.65 3hxw s LYS 231 CO 0.76 -0.22 1.45 -2.30 -0.92 0.00 0.00 175.35 174.12 3hxw n PRO 232 N 4.74 2.07 -4.28 -1.68 -0.02 -1.26 -4.71 135.00 129.86 3hxw n PRO 232 Ca -0.15 0.74 -0.17 0.00 -2.02 0.00 0.00 63.50 61.90 3hxw n PRO 232 Cb 0.50 -2.42 -0.09 0.00 -0.02 0.00 0.00 33.50 31.47 3hxw n PRO 232 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 3hxw s SER 233 N 0.43 1.26 -0.07 2.55 0.01 -0.68 -4.18 113.70 113.02 3hxw s SER 233 Ca 0.70 -1.61 0.04 0.00 1.31 0.00 0.00 55.95 56.40 3hxw s SER 233 Cb -0.65 0.46 -0.00 0.00 0.21 0.00 0.00 66.02 66.04 3hxw s SER 233 CO 0.47 -0.95 -0.21 -0.69 0.41 0.00 0.00 173.24 172.27 3hxw s VAL 234 N -3.67 1.74 -0.18 3.43 1.01 -0.54 -0.60 120.40 121.59 3hxw s VAL 234 Ca 0.38 -0.87 -0.02 0.00 0.00 0.00 0.00 61.98 61.48 3hxw s VAL 234 Cb 0.04 -1.50 0.05 0.00 0.00 0.00 0.00 36.38 34.98 3hxw s VAL 234 CO 0.20 0.49 -0.00 -0.62 0.00 0.00 0.00 175.10 175.17 3hxw s ASP 235 N 0.14 2.93 0.24 3.32 2.15 -0.24 -1.44 116.67 123.77 3hxw s ASP 235 Ca -0.09 -0.78 0.11 0.00 0.43 0.00 0.00 52.55 52.22 3hxw s ASP 235 Cb -0.14 -0.74 -0.05 0.00 -0.30 0.00 0.00 42.92 41.69 3hxw s ASP 235 CO 0.05 -0.26 -0.17 0.42 -0.17 0.00 0.00 175.17 175.04 3hxw s THR 236 N 1.75 2.68 -0.26 1.71 -4.23 -0.68 0.00 115.64 116.61 3hxw s THR 236 Ca -0.01 -2.14 -0.13 0.00 -1.18 0.00 0.00 61.69 58.23 3hxw s THR 236 Cb -0.17 -2.37 0.09 0.00 1.34 0.00 0.00 72.50 71.39 3hxw s THR 236 CO -0.07 -0.28 0.61 -0.83 -0.54 0.00 0.00 174.62 173.50 3hxw s GLY 237 N -3.22 -0.58 -0.09 3.99 0.00 -0.15 -3.55 107.32 103.72 3hxw s GLY 237 Ca 0.27 2.17 0.03 0.00 0.00 0.00 0.00 44.72 47.19 3hxw s GLY 237 CO 0.14 2.42 -0.20 -0.29 0.00 0.00 0.00 173.10 175.18 3hxw s MET 238 N 1.96 2.61 -0.08 2.90 -2.45 0.90 -0.85 119.30 124.29 3hxw s MET 238 Ca -0.08 -0.73 -0.30 0.00 -1.25 0.00 0.00 55.69 53.33 3hxw s MET 238 Cb -0.08 -2.01 -0.05 0.00 1.25 0.00 0.00 34.83 33.93 3hxw s MET 238 CO -0.18 0.12 1.70 0.20 1.05 0.00 0.00 175.02 177.92 3hxw s GLY 239 N 0.46 1.43 0.19 2.11 0.00 -1.06 0.03 107.32 110.48 3hxw s GLY 239 Ca -0.17 0.89 -0.12 0.00 0.00 0.00 0.00 44.72 45.31 3hxw s GLY 239 CO 0.07 3.11 1.84 -2.00 0.00 0.00 0.00 173.10 176.12 3hxw h LEU 240 N 10.73 0.64 -0.81 0.66 5.85 -1.58 -1.45 115.31 129.35 3hxw h LEU 240 Ca -0.39 -0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.26 3hxw h LEU 240 Cb 1.18 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 42.04 3hxw h LEU 240 CO 0.96 0.45 0.19 -0.33 -0.34 0.00 0.00 178.44 179.38 3hxw h GLU 241 N 0.76 1.08 -0.31 1.25 3.07 -1.90 0.12 114.58 118.65 3hxw h GLU 241 Ca 0.23 -0.24 -0.11 0.00 -0.50 0.00 0.00 59.36 58.74 3hxw h GLU 241 Cb -0.03 -0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 27.72 3hxw h GLU 241 CO -0.08 0.94 -0.25 0.00 -1.40 0.00 0.00 179.01 178.22 3hxw h ARG 242 N 1.03 0.72 -0.04 2.33 3.08 -1.83 -1.67 114.38 118.00 3hxw h ARG 242 Ca 0.22 -0.36 -0.14 0.00 0.07 0.00 0.00 59.98 59.78 3hxw h ARG 242 Cb 0.32 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.36 3hxw h ARG 242 CO -0.00 0.97 -0.60 0.97 -1.07 0.00 0.00 179.97 180.24 3hxw h ILE 243 N 0.48 1.40 -0.77 2.04 6.09 -1.18 -2.66 117.51 122.91 3hxw h ILE 243 Ca 0.06 -2.00 -0.02 0.00 -1.37 0.00 0.00 64.86 61.53 3hxw h ILE 243 Cb 0.81 2.03 -0.04 0.00 0.47 0.00 0.00 36.82 40.10 3hxw h ILE 243 CO 0.07 0.58 0.40 0.00 -3.07 0.00 0.00 178.15 176.13 3hxw h ALA 244 N 1.28 0.99 -0.34 0.18 0.00 -0.87 -0.57 119.26 119.93 3hxw h ALA 244 Ca -0.01 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3hxw h ALA 244 Cb 1.08 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 3hxw h ALA 244 CO 0.09 0.52 0.21 0.00 0.00 0.00 0.00 179.25 180.07 3hxw h ALA 245 N 1.21 0.43 0.20 0.00 0.00 -1.09 0.12 119.26 120.12 3hxw h ALA 245 Ca 0.27 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3hxw h ALA 245 Cb 0.06 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3hxw h ALA 245 CO -0.04 -0.08 -0.17 0.28 0.00 0.00 0.00 179.25 179.24 3hxw h VAL 246 N 0.45 0.63 0.00 0.00 2.07 -1.22 -1.23 116.25 116.94 3hxw h VAL 246 Ca 0.12 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.59 3hxw h VAL 246 Cb -0.02 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 30.38 3hxw h VAL 246 CO -0.02 0.00 -0.27 -0.07 0.02 0.00 0.00 177.57 177.23 3hxw h LEU 247 N -0.38 0.00 -1.65 2.57 3.38 -0.93 -2.46 115.31 115.84 3hxw h LEU 247 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3hxw h LEU 247 Cb 0.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.10 3hxw h LEU 247 CO -0.03 0.27 0.00 0.00 0.09 0.00 0.00 178.44 178.77 3hxw n GLN 248 N -3.99 2.06 -3.15 1.13 6.02 0.39 -4.69 117.38 115.15 3hxw n GLN 248 Ca -0.02 -1.62 -0.19 0.00 -0.01 0.00 0.00 57.00 55.16 3hxw n GLN 248 Cb 0.34 -1.42 0.05 0.00 1.02 0.00 0.00 30.24 30.23 3hxw n GLN 248 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 3hxw n HIS 249 N 0.83 -2.02 -4.60 1.08 8.25 -0.92 -5.02 115.22 112.82 3hxw n HIS 249 Ca 0.17 0.64 -0.27 0.00 -0.26 0.00 0.00 57.72 58.00 3hxw n HIS 249 Cb 0.42 -4.13 -0.10 0.00 1.12 0.00 0.00 29.99 27.31 3hxw n HIS 249 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 3hxw s VAL 250 N -3.17 1.56 -0.19 1.59 -7.23 -0.51 -5.06 120.40 107.39 3hxw s VAL 250 Ca 0.37 -2.00 0.08 0.00 -1.81 0.00 0.00 61.98 58.62 3hxw s VAL 250 Cb -0.16 -2.76 -0.17 0.00 0.56 0.00 0.00 36.38 33.85 3hxw s VAL 250 CO 0.46 0.00 -0.06 0.59 -0.31 0.00 0.00 175.10 175.78 3hxw n ASN 251 N -0.98 1.63 -4.89 4.85 5.03 -1.26 -4.21 115.26 115.43 3hxw n ASN 251 Ca -0.07 -0.06 -0.35 0.00 0.87 0.00 0.00 54.58 54.97 3hxw n ASN 251 Cb 0.67 0.30 -0.05 0.00 -1.02 0.00 0.00 39.78 39.68 3hxw n ASN 251 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 3hxw s SER 252 N -5.52 6.41 0.46 6.41 0.15 -1.26 -4.96 113.70 115.38 3hxw s SER 252 Ca -0.18 0.45 0.19 0.00 0.70 0.00 0.00 55.95 57.11 3hxw s SER 252 Cb 0.06 -2.05 1.17 0.00 -1.71 0.00 0.00 66.02 63.48 3hxw s SER 252 CO 0.58 0.33 1.92 0.78 1.20 0.00 0.00 173.24 178.06 3hxw h ASN 253 N 4.40 0.28 0.28 5.45 4.21 -1.49 -1.26 115.58 127.46 3hxw h ASN 253 Ca -0.52 0.02 0.00 0.00 1.21 0.00 0.00 56.30 57.01 3hxw h ASN 253 Cb 1.21 -0.04 0.00 0.00 -1.12 0.00 0.00 38.32 38.37 3hxw h ASN 253 CO 0.63 0.14 0.00 -1.22 -1.29 0.00 0.00 177.43 175.69 3hxw n TYR 254 N -4.44 0.00 1.02 1.19 4.01 -1.26 -2.58 117.16 115.10 3hxw n TYR 254 Ca 0.15 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 58.00 3hxw n TYR 254 Cb 0.61 -0.15 0.09 0.00 -0.31 0.00 0.00 39.34 39.58 3hxw n TYR 254 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 3hxw n ASP 255 N -1.15 2.68 -4.77 7.72 8.00 -0.48 -3.73 116.55 124.82 3hxw n ASP 255 Ca 0.17 -1.85 -0.30 0.00 0.71 0.00 0.00 54.79 53.52 3hxw n ASP 255 Cb 0.17 0.13 0.09 0.00 -0.02 0.00 0.00 41.12 41.49 3hxw n ASP 255 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 3hxw s ILE 256 N -2.13 3.26 0.23 0.53 -4.36 -1.06 -4.73 121.20 112.93 3hxw s ILE 256 Ca 0.26 0.41 -0.06 0.00 -0.26 0.00 0.00 60.65 60.99 3hxw s ILE 256 Cb 0.20 -3.00 0.21 0.00 1.25 0.00 0.00 42.46 41.12 3hxw s ILE 256 CO 0.37 -0.53 1.70 -2.24 0.24 0.00 0.00 174.94 174.48 3hxw h ASP 257 N -1.14 0.04 -0.07 4.36 2.03 -1.93 -0.88 116.42 118.84 3hxw h ASP 257 Ca -0.46 0.13 0.03 0.00 -0.73 0.00 0.00 57.03 56.01 3hxw h ASP 257 Cb 1.25 0.17 -0.04 0.00 -0.83 0.00 0.00 39.33 39.88 3hxw h ASP 257 CO 0.55 -0.00 -0.15 0.25 -1.03 0.00 0.00 179.24 178.86 3hxw h LEU 258 N 0.29 -0.44 -0.27 0.15 6.46 -1.92 -2.48 115.31 117.11 3hxw h LEU 258 Ca 0.38 0.07 -0.18 0.00 -0.12 0.00 0.00 57.88 58.04 3hxw h LEU 258 Cb 0.62 0.20 -0.03 0.00 -0.73 0.00 0.00 40.66 40.72 3hxw h LEU 258 CO -0.46 -0.20 -0.84 -0.26 -0.62 0.00 0.00 178.44 176.06 3hxw h PHE 259 N -0.21 0.00 -0.36 1.25 -1.00 -1.70 -2.33 116.94 112.59 3hxw h PHE 259 Ca 0.07 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.85 3hxw h PHE 259 Cb 0.31 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.85 3hxw h PHE 259 CO -0.23 0.84 0.21 0.00 -1.61 0.00 0.00 178.31 177.52 3hxw h ARG 260 N 0.00 0.50 -0.27 1.51 3.08 -1.03 0.25 114.38 118.41 3hxw h ARG 260 Ca -0.01 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 59.97 3hxw h ARG 260 Cb 1.52 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 31.45 3hxw h ARG 260 CO 0.11 0.38 0.07 1.15 -1.07 0.00 0.00 179.97 180.61 3hxw h THR 261 N 0.47 1.21 -0.66 2.04 2.02 -1.45 -2.29 112.91 114.25 3hxw h THR 261 Ca 0.13 -0.71 -0.05 0.00 0.77 0.00 0.00 66.41 66.55 3hxw h THR 261 Cb 0.02 1.16 -0.03 0.00 -1.74 0.00 0.00 68.15 67.56 3hxw h THR 261 CO -0.02 0.23 0.22 0.25 0.37 0.00 0.00 175.52 176.57 3hxw h LEU 262 N 0.27 0.95 -0.87 2.58 5.85 -1.21 -2.40 115.31 120.50 3hxw h LEU 262 Ca 0.09 -0.20 -0.08 0.00 0.84 0.00 0.00 57.88 58.53 3hxw h LEU 262 Cb 0.29 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.05 3hxw h LEU 262 CO 0.00 0.90 0.02 0.40 -0.34 0.00 0.00 178.44 179.42 3hxw h ILE 263 N 0.96 1.25 -0.99 4.05 2.04 -0.48 -1.40 117.51 122.94 3hxw h ILE 263 Ca 0.22 -1.02 0.06 0.00 1.00 0.00 0.00 64.86 65.12 3hxw h ILE 263 Cb 0.27 0.83 -0.06 0.00 -0.74 0.00 0.00 36.82 37.12 3hxw h ILE 263 CO -0.01 0.36 0.65 1.56 0.00 0.00 0.00 178.15 180.71 3hxw h GLN 264 N 0.80 1.15 -0.38 2.37 4.20 -1.13 -0.67 115.11 121.46 3hxw h GLN 264 Ca 0.16 -0.07 -0.11 0.00 0.06 0.00 0.00 58.65 58.68 3hxw h GLN 264 Cb 0.46 -0.26 -0.01 0.00 0.30 0.00 0.00 27.48 27.96 3hxw h GLN 264 CO 0.02 0.76 -0.23 0.00 -0.67 0.00 0.00 178.83 178.71 3hxw h ALA 265 N 1.45 0.88 -0.42 3.87 0.00 -0.88 -1.86 119.26 122.30 3hxw h ALA 265 Ca 0.42 -0.37 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 3hxw h ALA 265 Cb 0.12 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3hxw h ALA 265 CO -0.16 0.63 0.11 0.28 0.00 0.00 0.00 179.25 180.11 3hxw h VAL 266 N 0.67 1.23 -0.72 0.00 2.07 -0.65 -1.98 116.25 116.86 3hxw h VAL 266 Ca 0.09 -0.78 0.04 0.00 0.82 0.00 0.00 66.70 66.87 3hxw h VAL 266 Cb 0.74 0.93 -0.05 0.00 -1.52 0.00 0.00 31.29 31.39 3hxw h VAL 266 CO 0.06 0.27 0.45 0.00 0.02 0.00 0.00 177.57 178.37 3hxw h ALA 267 N 0.97 0.95 -0.23 1.67 0.00 -1.01 -1.68 119.26 119.92 3hxw h ALA 267 Ca 0.13 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 3hxw h ALA 267 Cb 0.30 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3hxw h ALA 267 CO -0.00 0.21 0.13 -0.22 0.00 0.00 0.00 179.25 179.37 3hxw h LYS 268 N 0.86 0.32 0.00 0.00 3.64 -1.09 0.37 116.57 120.67 3hxw h LYS 268 Ca 0.29 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.63 3hxw h LYS 268 Cb 0.05 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 31.81 3hxw h LYS 268 CO -0.12 0.29 -0.04 -0.39 -2.27 0.00 0.00 179.45 176.92 3hxw h VAL 269 N 0.26 0.06 0.00 2.00 -1.51 -1.20 -3.25 116.25 112.61 3hxw h VAL 269 Ca 0.08 -1.05 -0.06 0.00 -1.23 0.00 0.00 66.70 64.45 3hxw h VAL 269 Cb 0.06 1.99 -0.01 0.00 -2.13 0.00 0.00 31.29 31.20 3hxw h VAL 269 CO -0.01 0.04 -1.72 0.35 -1.23 0.00 0.00 177.57 174.99 3hxw n THR 270 N -3.11 0.43 -0.66 7.19 -2.24 -0.65 -4.84 114.28 110.41 3hxw n THR 270 Ca 0.04 -0.57 0.00 0.00 -2.27 0.00 0.00 64.05 61.24 3hxw n THR 270 Cb 0.52 -0.21 0.00 0.00 -2.10 0.00 0.00 70.33 68.54 3hxw n THR 270 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hxw n GLY 271 N 1.31 0.68 3.78 3.38 0.00 0.06 -3.54 105.19 110.87 3hxw n GLY 271 Ca -0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.60 3hxw n GLY 271 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hxw s ALA 272 N -2.09 2.94 -0.03 4.61 0.00 -0.85 -4.98 121.76 121.37 3hxw s ALA 272 Ca 0.00 0.74 0.03 0.00 0.00 0.00 0.00 51.96 52.73 3hxw s ALA 272 Cb 0.00 -3.30 -0.04 0.00 0.00 0.00 0.00 23.12 19.77 3hxw s ALA 272 CO 0.00 -0.42 0.02 0.25 0.00 0.00 0.00 175.76 175.61 3hxw n THR 273 N -0.61 0.20 -2.63 0.00 -2.24 -1.26 -4.58 114.28 103.16 3hxw n THR 273 Ca 0.08 -0.13 -0.42 0.00 -2.27 0.00 0.00 64.05 61.31 3hxw n THR 273 Cb 0.50 -0.72 -0.03 0.00 -2.10 0.00 0.00 70.33 67.98 3hxw n THR 273 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3hxw s ASP 274 N -3.27 6.20 0.00 3.42 2.15 -1.26 -4.87 116.67 119.04 3hxw s ASP 274 Ca -0.02 -0.68 0.09 0.00 0.43 0.00 0.00 52.55 52.38 3hxw s ASP 274 Cb 0.01 -2.52 0.53 0.00 -0.30 0.00 0.00 42.92 40.64 3hxw s ASP 274 CO 0.14 -1.71 0.98 0.18 -0.17 0.00 0.00 175.17 174.59 3hxw n LEU 275 N 8.90 0.00 -0.00 -1.34 4.77 -1.26 -2.32 117.00 125.75 3hxw n LEU 275 Ca 0.04 0.00 0.07 0.00 -0.03 0.00 0.00 56.01 56.09 3hxw n LEU 275 Cb 0.48 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.48 3hxw n LEU 275 CO 0.69 0.00 -0.08 -1.54 -1.33 0.00 0.00 177.39 175.13 3hxw n SER 276 N -0.78 0.77 -4.73 -1.43 3.41 -1.26 -4.98 113.62 104.62 3hxw n SER 276 Ca 0.07 -0.80 -0.42 0.00 -0.26 0.00 0.00 58.87 57.45 3hxw n SER 276 Cb 0.03 1.05 -0.03 0.00 -0.26 0.00 0.00 64.21 65.00 3hxw n SER 276 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 3hxw s ASN 277 N -2.55 6.43 0.53 4.04 3.84 -0.98 -4.89 114.94 121.37 3hxw s ASN 277 Ca 0.05 2.82 0.29 0.00 0.21 0.00 0.00 52.86 56.23 3hxw s ASN 277 Cb 0.12 -2.60 1.49 0.00 -0.55 0.00 0.00 41.25 39.71 3hxw s ASN 277 CO 0.63 -0.92 2.08 0.07 -2.79 0.00 0.00 177.10 176.17 3hxw h LYS 278 N 6.43 0.00 -0.09 0.43 2.10 -1.92 -2.11 116.57 121.42 3hxw h LYS 278 Ca -0.44 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.20 3hxw h LYS 278 Cb 1.20 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.53 3hxw h LYS 278 CO 0.92 0.10 -0.00 0.77 -2.00 0.00 0.00 179.45 179.24 3hxw h SER 279 N 0.00 0.11 -0.71 7.07 0.02 -1.93 -1.56 113.55 116.55 3hxw h SER 279 Ca -0.00 -0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 60.90 3hxw h SER 279 Cb 0.32 -0.03 -0.03 0.00 0.14 0.00 0.00 62.40 62.80 3hxw h SER 279 CO 0.01 0.14 0.29 -0.07 -1.14 0.00 0.00 176.83 176.06 3hxw h LEU 280 N 0.12 0.97 -0.32 5.07 -0.00 -1.75 -1.31 115.31 118.10 3hxw h LEU 280 Ca 0.03 -0.17 -0.18 0.00 -0.00 0.00 0.00 57.88 57.57 3hxw h LEU 280 Cb 0.09 -0.25 -0.00 0.00 -0.00 0.00 0.00 40.66 40.50 3hxw h LEU 280 CO 0.00 0.88 -0.49 0.03 -0.00 0.00 0.00 178.44 178.86 3hxw h ARG 281 N 1.01 0.89 -0.27 1.13 3.08 -1.49 -1.56 114.38 117.17 3hxw h ARG 281 Ca 0.24 -0.54 0.00 0.00 0.07 0.00 0.00 59.98 59.75 3hxw h ARG 281 Cb 0.20 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.29 3hxw h ARG 281 CO -0.02 1.18 0.17 0.28 -1.07 0.00 0.00 179.97 180.51 3hxw h VAL 282 N 0.69 1.08 -0.64 2.04 2.07 -1.16 -0.48 116.25 119.85 3hxw h VAL 282 Ca 0.03 -0.18 -0.07 0.00 0.82 0.00 0.00 66.70 67.30 3hxw h VAL 282 Cb 1.10 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 31.56 3hxw h VAL 282 CO 0.11 0.08 0.13 0.40 0.02 0.00 0.00 177.57 178.32 3hxw h ILE 283 N 0.35 1.26 -0.75 4.57 2.04 -1.22 0.79 117.51 124.54 3hxw h ILE 283 Ca 0.10 -0.98 -0.00 0.00 1.00 0.00 0.00 64.86 64.98 3hxw h ILE 283 Cb -0.01 0.65 -0.04 0.00 -0.74 0.00 0.00 36.82 36.69 3hxw h ILE 283 CO -0.02 0.37 0.45 0.00 0.00 0.00 0.00 178.15 178.95 3hxw h ALA 284 N 1.05 0.96 -0.20 1.87 0.00 -1.07 -0.57 119.26 121.29 3hxw h ALA 284 Ca 0.20 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 3hxw h ALA 284 Cb 0.40 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3hxw h ALA 284 CO 0.01 0.42 0.06 0.22 0.00 0.00 0.00 179.25 179.96 3hxw h ASP 285 N 1.03 0.30 -0.28 0.00 3.58 -0.81 -3.25 116.42 116.99 3hxw h ASP 285 Ca 0.27 -0.21 -0.08 0.00 0.42 0.00 0.00 57.03 57.43 3hxw h ASP 285 Cb -0.04 -0.08 -0.02 0.00 1.72 0.00 0.00 39.33 40.92 3hxw h ASP 285 CO -0.05 0.43 -0.08 0.45 -2.88 0.00 0.00 179.24 177.11 3hxw h HIS 286 N 0.15 0.72 -0.36 0.28 3.86 -0.43 -2.17 115.15 117.21 3hxw h HIS 286 Ca 0.06 -0.11 -0.03 0.00 -1.16 0.00 0.00 60.37 59.13 3hxw h HIS 286 Cb 0.24 -0.19 -0.02 0.00 1.06 0.00 0.00 27.41 28.50 3hxw h HIS 286 CO 0.00 0.73 0.08 0.97 0.86 0.00 0.00 177.93 180.58 3hxw h ILE 287 N 0.62 1.17 0.19 2.45 6.09 -1.18 -0.12 117.51 126.74 3hxw h ILE 287 Ca 0.11 -0.59 -0.01 0.00 -1.37 0.00 0.00 64.86 63.00 3hxw h ILE 287 Cb 0.51 0.81 0.00 0.00 0.47 0.00 0.00 36.82 38.61 3hxw h ILE 287 CO 0.03 0.21 -0.09 0.03 -3.07 0.00 0.00 178.15 175.26 3hxw h ARG 288 N 0.51 -0.25 -0.32 2.19 3.08 -1.43 0.03 114.38 118.20 3hxw h ARG 288 Ca 0.12 0.02 -0.04 0.00 0.07 0.00 0.00 59.98 60.15 3hxw h ARG 288 Cb 0.20 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.30 3hxw h ARG 288 CO -0.00 -0.04 0.04 0.66 -1.07 0.00 0.00 179.97 179.55 3hxw h SER 289 N -0.42 0.51 -0.02 7.04 4.64 -1.36 -2.58 113.55 121.35 3hxw h SER 289 Ca -0.03 -0.27 -0.00 0.00 -0.47 0.00 0.00 61.79 61.02 3hxw h SER 289 Cb 0.33 -0.14 -0.00 0.00 -0.31 0.00 0.00 62.40 62.28 3hxw h SER 289 CO 0.04 0.66 0.01 0.00 -0.87 0.00 0.00 176.83 176.67 3hxw h ALA 291 N 0.82 0.43 -0.26 0.00 0.00 -1.04 -2.20 119.26 117.01 3hxw h ALA 291 Ca 0.01 -0.09 -0.12 0.00 0.00 0.00 0.00 54.91 54.71 3hxw h ALA 291 Cb 0.19 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3hxw h ALA 291 CO -0.00 -0.02 -0.35 0.74 0.00 0.00 0.00 179.25 179.61 3hxw h PHE 292 N 0.42 0.67 -0.54 0.00 0.04 -1.46 -1.16 116.94 114.90 3hxw h PHE 292 Ca 0.12 -0.18 -0.03 0.00 2.80 0.00 0.00 57.97 60.68 3hxw h PHE 292 Cb 0.09 -0.15 -0.02 0.00 2.20 0.00 0.00 35.95 38.07 3hxw h PHE 292 CO -0.02 0.85 0.23 -0.07 -0.60 0.00 0.00 178.31 178.70 3hxw h LEU 293 N 0.48 0.73 -0.59 1.54 3.38 -1.04 -0.93 115.31 118.90 3hxw h LEU 293 Ca 0.05 -0.16 -0.05 0.00 0.09 0.00 0.00 57.88 57.81 3hxw h LEU 293 Cb 0.84 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.38 3hxw h LEU 293 CO 0.07 0.69 0.18 0.40 0.09 0.00 0.00 178.44 179.87 3hxw h ILE 294 N 0.73 1.24 -0.62 1.22 2.04 -1.27 -1.13 117.51 119.72 3hxw h ILE 294 Ca 0.18 -0.83 0.05 0.00 1.00 0.00 0.00 64.86 65.26 3hxw h ILE 294 Cb 0.18 0.67 -0.04 0.00 -0.74 0.00 0.00 36.82 36.89 3hxw h ILE 294 CO -0.02 0.31 0.41 0.00 0.00 0.00 0.00 178.15 178.86 3hxw h ALA 295 N 1.05 1.76 -0.36 1.87 0.00 -0.92 -0.87 119.26 121.78 3hxw h ALA 295 Ca 0.19 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3hxw h ALA 295 Cb 0.30 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3hxw h ALA 295 CO -0.00 0.15 0.00 -0.25 0.00 0.00 0.00 179.25 179.14 3hxw n ASP 296 N -4.47 2.31 0.00 0.00 8.00 -0.38 -4.91 116.55 117.10 3hxw n ASP 296 Ca 0.08 -2.10 0.00 0.00 0.71 0.00 0.00 54.79 53.48 3hxw n ASP 296 Cb 0.21 -0.32 0.00 0.00 -0.02 0.00 0.00 41.12 40.98 3hxw n ASP 296 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3hxw n GLY 297 N 0.93 0.62 3.73 0.44 0.00 -0.33 -4.68 105.19 105.89 3hxw n GLY 297 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 3hxw n GLY 297 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hxw s VAL 298 N -2.00 4.29 -0.05 1.61 1.01 -0.47 -4.98 120.40 119.81 3hxw s VAL 298 Ca 0.00 1.86 0.06 0.00 0.00 0.00 0.00 61.98 63.90 3hxw s VAL 298 Cb 0.00 -4.19 -0.02 0.00 0.00 0.00 0.00 36.38 32.17 3hxw s VAL 298 CO 0.00 0.26 -0.22 -0.04 0.00 0.00 0.00 175.10 175.11 3hxw s MET 299 N 0.11 2.43 0.32 2.72 -1.94 -1.26 -4.11 119.30 117.58 3hxw s MET 299 Ca 0.50 -0.84 -0.29 0.00 -1.71 0.00 0.00 55.69 53.34 3hxw s MET 299 Cb -0.26 -2.21 -0.12 0.00 2.01 0.00 0.00 34.83 34.26 3hxw s MET 299 CO 0.31 0.50 1.42 -2.30 -0.01 0.00 0.00 175.02 174.94 3hxw n PRO 300 N 2.63 2.36 -2.47 2.03 -0.02 -1.26 -4.18 135.00 134.10 3hxw n PRO 300 Ca -0.17 0.83 -0.05 0.00 -2.02 0.00 0.00 63.50 62.10 3hxw n PRO 300 Cb 0.52 -2.50 0.01 0.00 -0.02 0.00 0.00 33.50 31.51 3hxw n PRO 300 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3hxw n SER 301 N 1.19 -1.19 -1.26 2.55 3.41 -0.85 -4.94 113.62 112.53 3hxw n SER 301 Ca 0.06 -1.84 0.08 0.00 -0.26 0.00 0.00 58.87 56.91 3hxw n SER 301 Cb 0.36 1.98 0.30 0.00 -0.26 0.00 0.00 64.21 66.60 3hxw n SER 301 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3hxw n ASN 302 N -1.30 4.41 -3.96 4.04 3.02 -1.26 -2.95 115.26 117.25 3hxw n ASN 302 Ca -0.04 -2.72 -0.10 0.00 -0.03 0.00 0.00 54.58 51.69 3hxw n ASN 302 Cb 0.31 -0.54 -0.11 0.00 -0.61 0.00 0.00 39.78 38.83 3hxw n ASN 302 CO 0.00 0.00 0.00 -1.83 -2.62 0.00 0.00 177.26 172.81 3hxw s GLU 303 N -2.32 0.29 2.02 3.52 4.04 -1.26 -4.83 118.70 120.16 3hxw s GLU 303 Ca 0.45 -0.52 0.00 0.00 0.04 0.00 0.00 54.97 54.94 3hxw s GLU 303 Cb 0.33 0.10 0.00 0.00 0.02 0.00 0.00 34.13 34.58 3hxw s GLU 303 CO 0.15 -0.05 0.00 0.09 -1.84 0.00 0.00 175.26 173.61 3hxw n ASN 304 N 1.77 0.00 -0.31 0.83 3.02 -1.26 -2.18 115.26 117.13 3hxw n ASN 304 Ca -0.22 0.00 -0.04 0.00 -0.03 0.00 0.00 54.58 54.28 3hxw n ASN 304 Cb 0.56 0.00 0.08 0.00 -0.61 0.00 0.00 39.78 39.80 3hxw n ASN 304 CO 0.00 0.00 0.00 0.03 -2.62 0.00 0.00 177.26 174.67 3hxw h ARG 305 N 0.00 1.18 -0.22 3.52 3.08 -1.95 -2.43 114.38 117.56 3hxw h ARG 305 Ca 0.00 -0.14 -0.02 0.00 0.07 0.00 0.00 59.98 59.89 3hxw h ARG 305 Cb 0.00 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 29.81 3hxw h ARG 305 CO 0.00 0.87 0.05 0.78 -1.07 0.00 0.00 179.97 180.60 3hxw h GLY 306 N 1.18 0.32 1.50 0.04 0.00 -1.62 -2.18 103.07 102.31 3hxw h GLY 306 Ca 0.30 -0.15 -0.22 0.00 0.00 0.00 0.00 47.33 47.26 3hxw h GLY 306 CO -0.05 0.14 -0.88 -1.82 0.00 0.00 0.00 176.54 173.93 3hxw h TYR 307 N 0.30 0.67 -0.40 5.60 3.20 -0.95 -0.48 116.97 124.91 3hxw h TYR 307 Ca 0.07 -0.34 -0.00 0.00 3.14 0.00 0.00 58.73 61.60 3hxw h TYR 307 Cb 0.12 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.29 3hxw h TYR 307 CO 0.00 1.15 0.24 0.28 -1.64 0.00 0.00 178.16 178.19 3hxw h VAL 308 N 0.28 1.14 -0.23 1.81 2.07 -1.23 0.18 116.25 120.27 3hxw h VAL 308 Ca -0.07 -0.32 0.01 0.00 0.82 0.00 0.00 66.70 67.15 3hxw h VAL 308 Cb 1.50 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 31.88 3hxw h VAL 308 CO 0.16 0.14 0.12 0.25 0.02 0.00 0.00 177.57 178.25 3hxw h LEU 309 N 0.53 0.18 -0.56 2.57 5.85 -1.36 -1.75 115.31 120.76 3hxw h LEU 309 Ca 0.14 0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.93 3hxw h LEU 309 Cb 0.01 -0.03 -0.05 0.00 0.37 0.00 0.00 40.66 40.97 3hxw h LEU 309 CO -0.03 0.14 0.29 -0.09 -0.34 0.00 0.00 178.44 178.41 3hxw h ARG 310 N 0.25 0.53 -0.53 1.25 2.43 -0.78 -0.97 114.38 116.57 3hxw h ARG 310 Ca 0.09 -0.03 0.04 0.00 -0.81 0.00 0.00 59.98 59.27 3hxw h ARG 310 Cb 0.02 -0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 29.41 3hxw h ARG 310 CO -0.06 0.35 0.30 0.00 -1.51 0.00 0.00 179.97 179.05 3hxw h ARG 311 N 0.55 0.57 -0.31 0.20 3.08 -0.34 -0.94 114.38 117.18 3hxw h ARG 311 Ca 0.25 -0.03 -0.10 0.00 0.07 0.00 0.00 59.98 60.17 3hxw h ARG 311 Cb 0.17 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 3hxw h ARG 311 CO -0.18 0.37 -0.18 0.82 -1.07 0.00 0.00 179.97 179.74 3hxw h ILE 312 N 0.58 1.29 -0.21 2.04 2.04 -0.88 -1.56 117.51 120.82 3hxw h ILE 312 Ca 0.22 -1.30 0.03 0.00 1.00 0.00 0.00 64.86 64.81 3hxw h ILE 312 Cb 0.08 1.47 -0.03 0.00 -0.74 0.00 0.00 36.82 37.60 3hxw h ILE 312 CO -0.13 0.42 0.04 0.40 0.00 0.00 0.00 178.15 178.88 3hxw h ILE 313 N 0.43 0.91 -0.54 -0.67 2.04 -1.01 -0.71 117.51 117.95 3hxw h ILE 313 Ca 0.07 -0.04 -0.08 0.00 1.00 0.00 0.00 64.86 65.80 3hxw h ILE 313 Cb 0.72 0.77 -0.02 0.00 -0.74 0.00 0.00 36.82 37.55 3hxw h ILE 313 CO 0.05 0.02 0.01 0.03 0.00 0.00 0.00 178.15 178.27 3hxw h ARG 314 N 0.13 0.92 -0.80 2.37 3.08 -1.12 0.04 114.38 119.00 3hxw h ARG 314 Ca 0.09 -0.26 -0.04 0.00 0.07 0.00 0.00 59.98 59.85 3hxw h ARG 314 Cb 0.09 -0.10 -0.04 0.00 0.08 0.00 0.00 29.97 30.00 3hxw h ARG 314 CO -0.12 0.90 0.36 0.00 -1.07 0.00 0.00 179.97 180.03 3hxw h ARG 315 N 0.85 1.16 -0.41 0.04 3.08 -1.10 -0.29 114.38 117.71 3hxw h ARG 315 Ca 0.16 -0.18 -0.02 0.00 0.07 0.00 0.00 59.98 60.01 3hxw h ARG 315 Cb 0.49 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.32 3hxw h ARG 315 CO 0.02 0.91 0.18 0.00 -1.07 0.00 0.00 179.97 180.01 3hxw h ALA 316 N 1.24 0.54 -0.67 0.04 0.00 -0.38 -1.56 119.26 118.47 3hxw h ALA 316 Ca 0.27 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 3hxw h ALA 316 Cb 0.15 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 3hxw h ALA 316 CO -0.03 0.12 0.32 0.28 0.00 0.00 0.00 179.25 179.94 3hxw h VAL 317 N 0.53 1.23 -0.55 0.00 2.07 -0.79 -1.54 116.25 117.19 3hxw h VAL 317 Ca 0.14 -0.64 0.04 0.00 0.82 0.00 0.00 66.70 67.06 3hxw h VAL 317 Cb 0.16 0.41 -0.04 0.00 -1.52 0.00 0.00 31.29 30.30 3hxw h VAL 317 CO -0.01 0.26 0.31 -0.09 0.02 0.00 0.00 177.57 178.06 3hxw h ARG 318 N 0.93 0.59 -0.56 1.57 1.12 -0.86 -0.64 114.38 116.54 3hxw h ARG 318 Ca 0.23 -0.04 -0.02 0.00 -1.11 0.00 0.00 59.98 59.04 3hxw h ARG 318 Cb 0.12 -0.13 -0.03 0.00 -0.01 0.00 0.00 29.97 29.92 3hxw h ARG 318 CO -0.03 0.39 0.26 0.45 -3.11 0.00 0.00 179.97 177.93 3hxw h HIS 319 N 0.61 0.77 -0.86 2.20 3.86 -0.90 -1.35 115.15 119.48 3hxw h HIS 319 Ca 0.23 -0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.41 3hxw h HIS 319 Cb 0.08 -0.25 -0.04 0.00 1.06 0.00 0.00 27.41 28.27 3hxw h HIS 319 CO -0.08 0.58 0.50 0.78 0.86 0.00 0.00 177.93 180.57 3hxw h GLY 320 N 0.89 1.26 0.95 2.45 0.00 -0.43 -1.99 103.07 106.19 3hxw h GLY 320 Ca 0.19 -0.54 0.01 0.00 0.00 0.00 0.00 47.33 46.99 3hxw h GLY 320 CO -0.02 0.52 0.24 -0.57 0.00 0.00 0.00 176.54 176.71 3hxw h ASN 321 N 1.19 0.40 -0.28 0.19 -0.73 -0.19 -0.92 115.58 115.23 3hxw h ASN 321 Ca 0.31 -0.00 0.01 0.00 1.87 0.00 0.00 56.30 58.48 3hxw h ASN 321 Cb -0.02 -0.09 -0.01 0.00 0.27 0.00 0.00 38.32 38.46 3hxw h ASN 321 CO -0.05 0.29 0.19 -0.03 -0.37 0.00 0.00 177.43 177.45 3hxw h MET 322 N 0.49 0.33 0.00 6.67 4.05 -0.93 0.05 114.93 125.59 3hxw h MET 322 Ca 0.15 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.55 3hxw h MET 322 Cb -0.02 -0.08 0.00 0.00 -0.80 0.00 0.00 31.60 30.70 3hxw h MET 322 CO -0.05 0.22 0.00 1.28 0.23 0.00 0.00 176.91 178.59 3hxw n LEU 323 N -4.50 0.16 0.00 3.39 4.77 -0.78 -4.92 117.00 115.12 3hxw n LEU 323 Ca 0.01 0.52 0.00 0.00 -0.03 0.00 0.00 56.01 56.51 3hxw n LEU 323 Cb 0.10 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 40.72 3hxw n LEU 323 CO 0.35 -0.07 0.00 0.61 -1.33 0.00 0.00 177.39 176.95 3hxw n GLY 324 N 1.29 0.88 3.68 -0.72 0.00 0.01 -4.56 105.19 105.76 3hxw n GLY 324 Ca 0.06 -0.36 -0.45 0.00 0.00 0.00 0.00 46.02 45.27 3hxw n GLY 324 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hxw n ALA 325 N -1.00 1.56 0.02 4.61 0.00 -0.41 -4.89 120.51 120.40 3hxw n ALA 325 Ca 0.00 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.83 3hxw n ALA 325 Cb 0.02 -2.44 -0.09 0.00 0.00 0.00 0.00 19.45 16.94 3hxw n ALA 325 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3hxw n LYS 326 N 4.46 0.63 -4.24 0.00 4.01 -1.26 -4.76 118.16 116.99 3hxw n LYS 326 Ca 0.18 0.18 -0.14 0.00 -0.51 0.00 0.00 58.31 58.03 3hxw n LYS 326 Cb 0.31 -1.77 -0.10 0.00 -0.51 0.00 0.00 35.03 32.95 3hxw n LYS 326 CO 0.00 0.00 0.00 -1.83 -1.11 0.00 0.00 177.40 174.46 3hxw s GLU 327 N -2.95 1.21 -0.12 1.97 -1.05 -1.26 -5.10 118.70 111.40 3hxw s GLU 327 Ca -0.04 -1.62 -0.38 0.00 -0.15 0.00 0.00 54.97 52.78 3hxw s GLU 327 Cb 0.09 -0.06 -0.15 0.00 -0.44 0.00 0.00 34.13 33.57 3hxw s GLU 327 CO 0.82 -0.27 1.62 2.41 0.95 0.00 0.00 175.26 180.79 3hxw n THR 328 N -0.30 0.22 0.00 1.83 -1.04 -1.26 -4.84 114.28 108.89 3hxw n THR 328 Ca -0.02 -0.04 0.00 0.00 -2.04 0.00 0.00 64.05 61.95 3hxw n THR 328 Cb 0.65 -1.19 0.00 0.00 -1.82 0.00 0.00 70.33 67.97 3hxw n THR 328 CO 0.00 0.00 0.00 2.22 -0.64 0.00 0.00 175.07 176.65 3hxw n PHE 329 N 4.51 0.00 -0.17 -1.42 1.16 -1.26 -4.89 117.46 115.38 3hxw n PHE 329 Ca 0.23 0.00 -0.08 0.00 -1.87 0.00 0.00 57.45 55.73 3hxw n PHE 329 Cb 0.18 0.00 0.01 0.00 -1.61 0.00 0.00 39.48 38.06 3hxw n PHE 329 CO 0.00 0.00 0.00 0.35 -1.87 0.00 0.00 176.76 175.24 3hxw h PHE 330 N 0.00 0.71 0.00 2.97 3.57 -1.92 -1.76 116.94 120.51 3hxw h PHE 330 Ca 0.00 -0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.45 3hxw h PHE 330 Cb 0.45 -0.22 -0.00 0.00 2.79 0.00 0.00 35.95 38.97 3hxw h PHE 330 CO 0.00 0.57 -0.03 0.10 -2.23 0.00 0.00 178.31 176.72 3hxw h TYR 331 N 0.65 0.00 0.00 0.41 -0.00 -1.87 -2.08 116.97 114.08 3hxw h TYR 331 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.90 3hxw h TYR 331 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.87 3hxw h TYR 331 CO -0.00 0.03 0.00 1.63 -0.00 0.00 0.00 178.16 179.82 3hxw n LYS 332 N -3.43 0.01 0.00 0.10 5.02 -0.66 -2.66 118.16 116.55 3hxw n LYS 332 Ca -0.02 0.23 0.13 0.00 -2.02 0.00 0.00 58.31 56.62 3hxw n LYS 332 Cb 0.15 -1.50 0.32 0.00 -0.02 0.00 0.00 35.03 33.98 3hxw n LYS 332 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3hxw n LEU 333 N -1.49 1.30 -0.09 -0.35 4.77 -0.78 -4.20 117.00 116.16 3hxw n LEU 333 Ca 0.04 -0.39 -0.11 0.00 -0.03 0.00 0.00 56.01 55.52 3hxw n LEU 333 Cb 0.18 -0.08 -0.04 0.00 -2.33 0.00 0.00 43.42 41.15 3hxw n LEU 333 CO 0.14 0.24 0.80 0.58 -1.33 0.00 0.00 177.39 177.82 3hxw h VAL 334 N 1.63 1.24 0.52 4.08 2.07 -1.69 -1.45 116.25 122.65 3hxw h VAL 334 Ca 0.00 -0.81 -0.01 0.00 0.82 0.00 0.00 66.70 66.69 3hxw h VAL 334 Cb 0.56 1.24 -0.02 0.00 -1.52 0.00 0.00 31.29 31.55 3hxw h VAL 334 CO 0.00 0.26 -0.49 1.23 0.02 0.00 0.00 177.57 178.59 3hxw h GLY 335 N 0.27 -1.23 -0.05 2.17 0.00 -1.81 -0.61 103.07 101.81 3hxw h GLY 335 Ca 0.08 0.57 0.23 0.00 0.00 0.00 0.00 47.33 48.21 3hxw h GLY 335 CO 0.01 -0.37 0.60 -2.55 0.00 0.00 0.00 176.54 174.22 3hxw h PRO 336 N -1.01 0.63 -0.24 4.80 0.11 -1.78 -1.54 132.00 132.97 3hxw h PRO 336 Ca -0.06 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.98 3hxw h PRO 336 Cb 0.87 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.83 3hxw h PRO 336 CO -0.05 0.42 0.03 1.25 -0.21 0.00 0.00 178.00 179.44 3hxw h LEU 337 N 0.65 0.40 -0.93 2.35 5.85 -0.84 -2.70 115.31 120.08 3hxw h LEU 337 Ca 0.62 -0.28 0.10 0.00 0.84 0.00 0.00 57.88 59.17 3hxw h LEU 337 Cb 1.11 -0.11 -0.08 0.00 0.37 0.00 0.00 40.66 41.95 3hxw h LEU 337 CO -0.44 0.57 0.57 0.40 -0.34 0.00 0.00 178.44 179.20 3hxw h ILE 338 N 0.21 0.95 0.00 4.05 2.04 -0.49 -2.11 117.51 122.15 3hxw h ILE 338 Ca 0.07 -0.32 -0.01 0.00 1.00 0.00 0.00 64.86 65.59 3hxw h ILE 338 Cb 0.35 -0.08 -0.00 0.00 -0.74 0.00 0.00 36.82 36.35 3hxw h ILE 338 CO 0.01 0.17 -0.06 0.44 0.00 0.00 0.00 178.15 178.71 3hxw h ASP 339 N 0.95 0.00 -0.00 1.72 3.32 -0.99 -2.92 116.42 118.50 3hxw h ASP 339 Ca 0.45 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.50 3hxw h ASP 339 Cb 0.38 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.93 3hxw h ASP 339 CO -0.24 0.06 -0.72 1.33 -1.72 0.00 0.00 179.24 177.95 3hxw n VAL 340 N -3.33 0.00 0.88 -1.35 0.24 -0.84 -4.57 118.33 109.37 3hxw n VAL 340 Ca -0.01 -0.14 0.12 0.00 -2.04 0.00 0.00 64.34 62.27 3hxw n VAL 340 Cb 0.23 1.03 0.25 0.00 -1.47 0.00 0.00 33.84 33.88 3hxw n VAL 340 CO 0.00 0.00 0.00 0.23 -2.14 0.00 0.00 176.83 174.92 3hxw n MET 341 N -1.21 0.08 0.00 7.34 2.81 -0.93 -4.89 117.12 120.31 3hxw n MET 341 Ca 0.04 0.02 0.00 0.00 -1.81 0.00 0.00 57.70 55.95 3hxw n MET 341 Cb 0.27 -1.55 0.00 0.00 -0.71 0.00 0.00 33.22 31.23 3hxw n MET 341 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3hxw n GLY 342 N 1.46 2.53 0.27 3.03 0.00 -1.25 -2.25 105.19 108.97 3hxw n GLY 342 Ca 0.05 -0.38 0.15 0.00 0.00 0.00 0.00 46.02 45.85 3hxw n GLY 342 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3hxw h SER 343 N 8.22 0.00 0.52 1.61 4.64 -1.96 -1.90 113.55 124.68 3hxw h SER 343 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3hxw h SER 343 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3hxw h SER 343 CO 0.00 0.08 0.00 0.00 -0.87 0.00 0.00 176.83 176.04 3hxw n ALA 344 N -2.19 1.69 -0.13 5.18 0.00 -0.95 -2.37 120.51 121.73 3hxw n ALA 344 Ca -0.01 -0.05 0.10 0.00 0.00 0.00 0.00 53.44 53.48 3hxw n ALA 344 Cb 0.25 -1.24 0.25 0.00 0.00 0.00 0.00 19.45 18.71 3hxw n ALA 344 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hxw n GLY 345 N 0.06 2.26 0.23 0.00 0.00 -0.71 -4.67 105.19 102.35 3hxw n GLY 345 Ca 0.04 -0.66 0.01 0.00 0.00 0.00 0.00 46.02 45.40 3hxw n GLY 345 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3hxw h GLU 346 N 3.72 0.19 -0.13 1.61 5.08 -1.61 0.75 114.58 124.20 3hxw h GLU 346 Ca 0.00 -0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.30 3hxw h GLU 346 Cb 0.91 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.10 3hxw h GLU 346 CO 0.00 0.13 -0.16 -0.44 -1.00 0.00 0.00 179.01 177.54 3hxw h ASP 347 N 0.20 0.19 -0.03 1.42 3.32 -1.85 -1.42 116.42 118.24 3hxw h ASP 347 Ca 0.31 -0.04 -0.15 0.00 0.02 0.00 0.00 57.03 57.17 3hxw h ASP 347 Cb 0.48 -0.05 0.01 0.00 0.22 0.00 0.00 39.33 39.99 3hxw h ASP 347 CO -0.44 0.37 -0.56 0.25 -1.72 0.00 0.00 179.24 177.14 3hxw h LEU 348 N 0.19 0.55 -0.98 1.55 5.85 -1.51 -3.16 115.31 117.80 3hxw h LEU 348 Ca 0.04 -0.72 0.03 0.00 0.84 0.00 0.00 57.88 58.06 3hxw h LEU 348 Cb 0.40 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 41.21 3hxw h LEU 348 CO 0.02 1.19 0.64 0.50 -0.34 0.00 0.00 178.44 180.46 3hxw h LYS 349 N -0.05 1.22 -0.36 1.25 3.64 -0.71 -1.18 116.57 120.37 3hxw h LYS 349 Ca -0.06 -0.07 0.03 0.00 -1.27 0.00 0.00 60.65 59.27 3hxw h LYS 349 Cb 1.25 -0.28 -0.02 0.00 -0.41 0.00 0.00 32.23 32.78 3hxw h LYS 349 CO 0.11 0.81 0.24 -0.09 -2.27 0.00 0.00 179.45 178.25 3hxw h ARG 350 N 1.26 0.37 -0.14 1.90 2.43 -1.30 -2.86 114.38 116.03 3hxw h ARG 350 Ca 0.38 -0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.46 3hxw h ARG 350 Cb -0.04 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.39 3hxw h ARG 350 CO -0.11 0.24 -0.30 1.04 -1.51 0.00 0.00 179.97 179.33 3hxw n GLN 351 N -4.48 1.70 0.03 0.20 6.02 -0.71 -4.86 117.38 115.28 3hxw n GLN 351 Ca 0.03 -3.22 -0.12 0.00 -0.01 0.00 0.00 57.00 53.68 3hxw n GLN 351 Cb 0.15 -1.70 -0.06 0.00 1.02 0.00 0.00 30.24 29.66 3hxw n GLN 351 CO 0.00 0.00 0.00 0.37 -1.01 0.00 0.00 177.06 176.42 3hxw h GLN 352 N 0.97 -0.49 -0.80 -1.09 4.15 -1.01 -0.68 115.11 116.15 3hxw h GLN 352 Ca 0.09 0.03 0.02 0.00 0.77 0.00 0.00 58.65 59.56 3hxw h GLN 352 Cb 1.27 0.11 -0.05 0.00 0.21 0.00 0.00 27.48 29.02 3hxw h GLN 352 CO 0.16 -0.33 0.52 0.00 -1.93 0.00 0.00 178.83 177.25 3hxw h ALA 353 N 0.11 1.04 -0.18 3.38 0.00 -1.89 0.33 119.26 122.06 3hxw h ALA 353 Ca 0.07 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3hxw h ALA 353 Cb 0.62 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3hxw h ALA 353 CO -0.35 0.37 0.08 0.37 0.00 0.00 0.00 179.25 179.72 3hxw h GLN 354 N 1.03 0.26 -0.70 0.00 4.15 -1.85 -1.74 115.11 116.25 3hxw h GLN 354 Ca 0.31 -0.04 -0.04 0.00 0.77 0.00 0.00 58.65 59.65 3hxw h GLN 354 Cb -0.04 -0.04 -0.03 0.00 0.21 0.00 0.00 27.48 27.57 3hxw h GLN 354 CO -0.09 0.30 0.29 0.28 -1.93 0.00 0.00 178.83 177.68 3hxw h VAL 355 N 0.15 1.24 -0.59 2.39 2.07 -0.72 -2.24 116.25 118.55 3hxw h VAL 355 Ca 0.06 -0.76 0.03 0.00 0.82 0.00 0.00 66.70 66.85 3hxw h VAL 355 Cb 0.13 0.43 -0.04 0.00 -1.52 0.00 0.00 31.29 30.29 3hxw h VAL 355 CO -0.01 0.30 0.36 -0.33 0.02 0.00 0.00 177.57 177.91 3hxw h GLU 356 N 1.00 0.68 -0.48 1.57 5.08 -0.82 -2.11 114.58 119.50 3hxw h GLU 356 Ca 0.23 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.52 3hxw h GLU 356 Cb 0.20 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 3hxw h GLU 356 CO -0.02 0.45 0.15 0.37 -1.00 0.00 0.00 179.01 178.96 3hxw h GLN 357 N 0.70 0.74 -0.38 2.33 -0.00 -1.06 -0.35 115.11 117.09 3hxw h GLN 357 Ca 0.24 -0.16 0.00 0.00 -0.00 0.00 0.00 58.65 58.73 3hxw h GLN 357 Cb 0.04 -0.11 -0.02 0.00 0.00 0.00 0.00 27.48 27.40 3hxw h GLN 357 CO -0.11 0.70 0.25 0.28 0.00 0.00 0.00 178.83 179.95 3hxw h VAL 358 N 0.64 1.11 -0.56 2.39 2.07 -1.24 -0.18 116.25 120.47 3hxw h VAL 358 Ca 0.15 -0.21 -0.11 0.00 0.82 0.00 0.00 66.70 67.36 3hxw h VAL 358 Cb 0.27 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 30.59 3hxw h VAL 358 CO -0.00 0.10 -0.08 -0.07 0.02 0.00 0.00 177.57 177.54 3hxw h LEU 359 N 0.51 1.02 -0.14 2.57 3.38 -1.23 -1.59 115.31 119.84 3hxw h LEU 359 Ca 0.14 -0.32 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 3hxw h LEU 359 Cb -0.04 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.42 3hxw h LEU 359 CO -0.03 1.11 0.05 0.50 0.09 0.00 0.00 178.44 180.16 3hxw h LYS 360 N 0.92 0.22 -0.47 1.13 3.64 -0.83 -1.71 116.57 119.46 3hxw h LYS 360 Ca 0.15 -0.04 0.02 0.00 -1.27 0.00 0.00 60.65 59.50 3hxw h LYS 360 Cb 0.64 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.40 3hxw h LYS 360 CO 0.04 0.34 0.28 1.15 -2.27 0.00 0.00 179.45 178.99 3hxw h THR 361 N 0.05 1.06 -0.61 1.00 2.02 -0.98 -1.17 112.91 114.28 3hxw h THR 361 Ca 0.05 -0.20 -0.05 0.00 0.77 0.00 0.00 66.41 66.98 3hxw h THR 361 Cb 0.21 0.44 -0.03 0.00 -1.74 0.00 0.00 68.15 67.03 3hxw h THR 361 CO -0.00 0.10 0.19 -0.08 0.37 0.00 0.00 175.52 176.10 3hxw h GLU 362 N 0.57 0.96 -0.36 6.66 4.57 -1.19 -0.31 114.58 125.47 3hxw h GLU 362 Ca 0.19 -0.21 -0.06 0.00 -1.18 0.00 0.00 59.36 58.10 3hxw h GLU 362 Cb 0.00 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 28.44 3hxw h GLU 362 CO -0.08 0.85 0.01 1.49 -1.18 0.00 0.00 179.01 180.09 3hxw h GLU 363 N 0.88 0.64 -0.83 1.92 4.81 -1.14 -1.24 114.58 119.62 3hxw h GLU 363 Ca 0.20 -0.20 0.01 0.00 -0.13 0.00 0.00 59.36 59.24 3hxw h GLU 363 Cb 0.29 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.57 3hxw h GLU 363 CO -0.01 0.75 0.55 0.93 -0.73 0.00 0.00 179.01 180.50 3hxw h GLU 364 N 0.46 1.08 -0.38 1.92 5.08 -1.06 -0.16 114.58 121.52 3hxw h GLU 364 Ca 0.10 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 3hxw h GLU 364 Cb 0.45 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 3hxw h GLU 364 CO 0.02 0.71 0.19 0.37 -1.00 0.00 0.00 179.01 179.30 3hxw h GLN 365 N 1.11 0.54 -0.18 2.33 5.75 -0.88 -2.98 115.11 120.82 3hxw h GLN 365 Ca 0.31 -0.08 -0.10 0.00 -0.15 0.00 0.00 58.65 58.63 3hxw h GLN 365 Cb -0.11 -0.10 -0.01 0.00 1.07 0.00 0.00 27.48 28.33 3hxw h GLN 365 CO -0.07 0.47 -0.33 0.35 -2.65 0.00 0.00 178.83 176.60 3hxw h PHE 366 N 0.48 0.41 0.00 3.99 3.57 -0.90 -2.76 116.94 121.72 3hxw h PHE 366 Ca 0.13 -0.10 0.00 0.00 3.53 0.00 0.00 57.97 61.53 3hxw h PHE 366 Cb 0.11 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 38.75 3hxw h PHE 366 CO -0.02 0.65 0.00 0.00 -2.23 0.00 0.00 178.31 176.72 3hxw h ALA 367 N 1.34 1.00 0.00 2.41 0.00 -0.87 0.07 119.26 123.22 3hxw h ALA 367 Ca 0.04 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3hxw h ALA 367 Cb 0.74 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 3hxw h ALA 367 CO 0.06 0.00 -0.06 0.00 0.00 0.00 0.00 179.25 179.25 3hxw h ARG 368 N 0.00 0.00 0.00 0.00 3.08 -1.48 -3.30 114.38 112.68 3hxw h ARG 368 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3hxw h ARG 368 Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.11 3hxw h ARG 368 CO 0.00 0.06 0.00 0.25 -1.07 0.00 0.00 179.97 179.21 3hxw n THR 369 N -3.70 0.00 0.37 2.04 -2.24 -0.31 -4.88 114.28 105.55 3hxw n THR 369 Ca -0.02 -0.25 -0.17 0.00 -2.27 0.00 0.00 64.05 61.34 3hxw n THR 369 Cb 0.16 1.03 -0.08 0.00 -2.10 0.00 0.00 70.33 69.34 3hxw n THR 369 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3hxw h LEU 370 N 0.00 -1.06 -0.72 3.22 5.85 -1.13 0.18 115.31 121.64 3hxw h LEU 370 Ca 0.00 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.77 3hxw h LEU 370 Cb 0.01 0.31 -0.03 0.00 0.37 0.00 0.00 40.66 41.32 3hxw h LEU 370 CO 0.00 -0.64 0.40 -0.33 -0.34 0.00 0.00 178.44 177.53 3hxw h GLU 371 N -1.02 1.00 -0.83 1.25 5.08 -1.87 -0.51 114.58 117.68 3hxw h GLU 371 Ca -0.09 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 58.14 3hxw h GLU 371 Cb 0.82 -0.20 -0.04 0.00 0.50 0.00 0.00 28.75 29.83 3hxw h GLU 371 CO 0.09 0.74 0.47 0.00 -1.00 0.00 0.00 179.01 179.31 3hxw h ARG 372 N 0.99 1.15 -0.37 2.33 3.08 -1.89 -0.44 114.38 119.23 3hxw h ARG 372 Ca 0.25 -0.12 -0.13 0.00 0.07 0.00 0.00 59.98 60.05 3hxw h ARG 372 Cb 0.03 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 29.84 3hxw h ARG 372 CO -0.04 0.83 -0.31 0.78 -1.07 0.00 0.00 179.97 180.16 3hxw h GLY 373 N 1.15 0.86 1.29 0.04 0.00 -0.53 -2.08 103.07 103.81 3hxw h GLY 373 Ca 0.29 -0.80 -0.08 0.00 0.00 0.00 0.00 47.33 46.74 3hxw h GLY 373 CO -0.05 0.73 -0.02 1.41 0.00 0.00 0.00 176.54 178.61 3hxw h LEU 374 N 0.67 0.83 -0.48 3.11 3.38 -0.82 -0.64 115.31 121.36 3hxw h LEU 374 Ca 0.08 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.83 3hxw h LEU 374 Cb 0.84 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 3hxw h LEU 374 CO 0.07 0.90 0.31 0.00 0.09 0.00 0.00 178.44 179.82 3hxw h ALA 375 N 1.18 0.61 -0.33 1.53 0.00 -0.89 0.12 119.26 121.50 3hxw h ALA 375 Ca 0.15 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3hxw h ALA 375 Cb 0.50 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 3hxw h ALA 375 CO 0.03 0.07 0.16 1.25 0.00 0.00 0.00 179.25 180.76 3hxw h LEU 376 N 0.65 0.42 -0.54 0.00 5.85 -1.10 -1.32 115.31 119.28 3hxw h LEU 376 Ca 0.18 -0.11 0.01 0.00 0.84 0.00 0.00 57.88 58.79 3hxw h LEU 376 Cb -0.06 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 40.83 3hxw h LEU 376 CO -0.04 0.42 0.35 0.25 -0.34 0.00 0.00 178.44 179.08 3hxw h LEU 377 N 0.40 0.60 -0.64 2.25 5.85 -0.87 -0.21 115.31 122.68 3hxw h LEU 377 Ca 0.11 -0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.85 3hxw h LEU 377 Cb 0.10 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 40.95 3hxw h LEU 377 CO -0.02 0.43 0.39 0.44 -0.34 0.00 0.00 178.44 179.34 3hxw h ASP 378 N 0.71 0.63 -0.43 1.25 3.32 -0.83 0.41 116.42 121.47 3hxw h ASP 378 Ca 0.20 0.01 0.01 0.00 0.02 0.00 0.00 57.03 57.26 3hxw h ASP 378 Cb -0.06 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.34 3hxw h ASP 378 CO -0.05 0.44 0.28 -0.33 -1.72 0.00 0.00 179.24 177.85 3hxw h GLU 379 N 0.76 0.56 -0.31 3.56 5.08 -0.60 -0.57 114.58 123.06 3hxw h GLU 379 Ca 0.26 -0.03 -0.13 0.00 -1.00 0.00 0.00 59.36 58.46 3hxw h GLU 379 Cb 0.04 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 3hxw h GLU 379 CO -0.12 0.37 -0.32 0.93 -1.00 0.00 0.00 179.01 178.87 3hxw h GLU 380 N 0.58 0.68 -0.12 2.33 4.39 -0.71 -3.09 114.58 118.63 3hxw h GLU 380 Ca 0.16 -0.31 -0.15 0.00 0.34 0.00 0.00 59.36 59.40 3hxw h GLU 380 Cb -0.06 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.57 3hxw h GLU 380 CO -0.04 0.91 -0.57 -0.07 -1.16 0.00 0.00 179.01 178.08 3hxw h LEU 381 N 0.57 0.41 -1.62 1.33 3.38 -0.72 -2.36 115.31 116.31 3hxw h LEU 381 Ca 0.06 -0.23 -0.04 0.00 0.09 0.00 0.00 57.88 57.77 3hxw h LEU 381 Cb 0.83 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 3hxw h LEU 381 CO 0.07 0.89 -0.19 0.00 0.09 0.00 0.00 178.44 179.30 3hxw h ALA 382 N 1.11 1.66 -0.30 1.53 0.00 -1.02 -2.52 119.26 119.72 3hxw h ALA 382 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3hxw h ALA 382 Cb 1.08 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.84 3hxw h ALA 382 CO 0.10 0.24 0.00 0.36 0.00 0.00 0.00 179.25 179.95 3hxw n LYS 383 N -4.28 2.29 -2.29 0.00 2.85 -1.20 -5.01 118.16 110.52 3hxw n LYS 383 Ca -0.02 -1.92 -0.42 0.00 -1.05 0.00 0.00 58.31 54.90 3hxw n LYS 383 Cb 0.26 -1.30 -0.03 0.00 -0.65 0.00 0.00 35.03 33.31 3hxw n LYS 383 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 177.40 176.18 3hxw s LEU 384 N -1.03 4.40 -0.28 -5.58 2.96 -0.89 -5.02 118.68 113.25 3hxw s LEU 384 Ca 0.24 2.24 -0.09 0.00 -0.22 0.00 0.00 54.13 56.30 3hxw s LEU 384 Cb 0.13 -3.59 -0.02 0.00 0.50 0.00 0.00 46.19 43.21 3hxw s LEU 384 CO 0.18 -0.51 0.11 -0.55 -1.32 0.00 0.00 176.35 174.26 3hxw s SER 385 N 0.71 5.38 0.00 3.68 0.15 -1.26 -4.99 113.70 117.38 3hxw s SER 385 Ca 0.59 -0.32 0.00 0.00 0.70 0.00 0.00 55.95 56.92 3hxw s SER 385 Cb -0.34 -1.97 0.00 0.00 -1.71 0.00 0.00 66.02 62.00 3hxw s SER 385 CO 0.33 -0.10 0.00 0.61 1.20 0.00 0.00 173.24 175.28 3hxw n GLY 386 N 4.96 -1.04 0.93 9.45 0.00 -1.26 -4.79 105.19 113.43 3hxw n GLY 386 Ca -0.15 -2.20 0.08 0.00 0.00 0.00 0.00 46.02 43.74 3hxw n GLY 386 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3hxw n ASP 387 N 0.00 3.49 -3.77 1.61 5.75 -1.26 -4.95 116.55 117.43 3hxw n ASP 387 Ca 0.00 -2.20 -0.22 0.00 -0.01 0.00 0.00 54.79 52.37 3hxw n ASP 387 Cb 0.00 -0.37 -0.17 0.00 -1.03 0.00 0.00 41.12 39.55 3hxw n ASP 387 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 3hxw s THR 388 N -1.36 0.30 0.19 2.12 2.01 -1.26 0.31 115.64 117.95 3hxw s THR 388 Ca 0.34 0.15 -0.30 0.00 0.31 0.00 0.00 61.69 62.19 3hxw s THR 388 Cb 0.20 -0.46 -0.09 0.00 0.01 0.00 0.00 72.50 72.17 3hxw s THR 388 CO 0.19 0.24 1.37 -0.22 -0.69 0.00 0.00 174.62 175.50 3hxw s LEU 389 N 1.86 4.40 0.61 4.42 2.96 0.77 -4.85 118.68 128.85 3hxw s LEU 389 Ca 0.03 2.45 -0.18 0.00 -0.22 0.00 0.00 54.13 56.21 3hxw s LEU 389 Cb -0.12 -3.61 -0.03 0.00 0.50 0.00 0.00 46.19 42.93 3hxw s LEU 389 CO -0.04 -0.60 1.17 1.51 -1.32 0.00 0.00 176.35 177.06 3hxw s ASP 390 N 0.54 5.20 0.39 3.68 -4.77 -1.26 -1.21 116.67 119.25 3hxw s ASP 390 Ca 0.59 2.27 0.16 0.00 -3.30 0.00 0.00 52.55 52.27 3hxw s ASP 390 Cb -0.38 -2.59 0.82 0.00 -1.09 0.00 0.00 42.92 39.68 3hxw s ASP 390 CO 0.37 -1.58 1.84 1.23 0.70 0.00 0.00 175.17 177.74 3hxw h GLY 391 N 0.69 0.00 0.98 2.12 0.00 -1.83 -2.69 103.07 102.34 3hxw h GLY 391 Ca -0.49 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 46.82 3hxw h GLY 391 CO 0.55 0.00 0.27 -2.09 0.00 0.00 0.00 176.54 175.27 3hxw h GLU 392 N 0.00 0.80 -0.39 4.80 4.81 -1.91 -0.16 114.58 122.53 3hxw h GLU 392 Ca -0.00 -0.12 -0.09 0.00 -0.13 0.00 0.00 59.36 59.02 3hxw h GLU 392 Cb 0.66 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.88 3hxw h GLU 392 CO 0.04 0.65 -0.12 1.15 -0.73 0.00 0.00 179.01 180.00 3hxw h THR 393 N 0.75 1.28 -0.86 0.32 2.02 -1.90 -0.19 112.91 114.34 3hxw h THR 393 Ca 0.19 -1.22 0.03 0.00 0.77 0.00 0.00 66.41 66.18 3hxw h THR 393 Cb 0.11 1.26 -0.05 0.00 -1.74 0.00 0.00 68.15 67.73 3hxw h THR 393 CO -0.03 0.41 0.55 0.00 0.37 0.00 0.00 175.52 176.82 3hxw h ALA 394 N 0.83 1.13 -0.16 6.16 0.00 -1.34 -1.09 119.26 124.78 3hxw h ALA 394 Ca 0.09 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.82 3hxw h ALA 394 Cb 0.65 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3hxw h ALA 394 CO 0.04 0.39 -0.52 0.35 0.00 0.00 0.00 179.25 179.51 3hxw h PHE 395 N 1.07 0.57 -0.70 0.00 3.57 -0.74 -1.90 116.94 118.82 3hxw h PHE 395 Ca 0.34 -0.20 -0.05 0.00 3.53 0.00 0.00 57.97 61.60 3hxw h PHE 395 Cb 0.01 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 38.60 3hxw h PHE 395 CO -0.02 0.89 0.25 -0.09 -2.23 0.00 0.00 178.31 177.10 3hxw h ARG 396 N 0.36 1.07 -0.49 1.11 2.43 -0.63 0.31 114.38 118.54 3hxw h ARG 396 Ca 0.01 -0.22 -0.05 0.00 -0.81 0.00 0.00 59.98 58.92 3hxw h ARG 396 Cb 1.04 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 30.40 3hxw h ARG 396 CO 0.09 0.91 0.10 -0.07 -1.51 0.00 0.00 179.97 179.49 3hxw h LEU 397 N 1.01 0.70 0.08 3.80 3.38 -1.01 0.28 115.31 123.56 3hxw h LEU 397 Ca 0.23 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 3hxw h LEU 397 Cb 0.26 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.83 3hxw h LEU 397 CO -0.01 0.71 -0.04 0.22 0.09 0.00 0.00 178.44 179.41 3hxw h TYR 398 N 0.73 -0.10 0.01 1.13 3.20 -0.87 -1.27 116.97 119.81 3hxw h TYR 398 Ca 0.16 -0.00 -0.27 0.00 3.14 0.00 0.00 58.73 61.76 3hxw h TYR 398 Cb 0.30 0.03 0.02 0.00 1.54 0.00 0.00 36.73 38.62 3hxw h TYR 398 CO 0.02 0.31 -1.05 0.22 -1.64 0.00 0.00 178.16 176.01 3hxw h ASP 399 N -0.54 0.90 0.15 -2.11 3.58 -0.27 -2.33 116.42 115.80 3hxw h ASP 399 Ca -0.01 -0.75 -0.36 0.00 0.42 0.00 0.00 57.03 56.33 3hxw h ASP 399 Cb 0.46 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 41.22 3hxw h ASP 399 CO 0.02 1.54 -1.89 0.74 -2.88 0.00 0.00 179.24 176.76 3hxw h THR 400 N 0.37 0.74 -0.01 2.25 2.02 -1.10 -3.41 112.91 113.77 3hxw h THR 400 Ca -0.14 -2.40 0.00 0.00 0.77 0.00 0.00 66.41 64.65 3hxw h THR 400 Cb 1.71 2.60 0.00 0.00 -1.74 0.00 0.00 68.15 70.72 3hxw h THR 400 CO 0.21 0.88 -0.12 -1.22 0.37 0.00 0.00 175.52 175.63 3hxw n TYR 401 N -3.55 0.00 -2.12 3.16 4.01 -0.82 -4.99 117.16 112.85 3hxw n TYR 401 Ca -0.29 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.35 3hxw n TYR 401 Cb 1.05 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 40.07 3hxw n TYR 401 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3hxw n GLY 402 N 0.80 0.05 3.56 2.72 0.00 -0.79 -4.73 105.19 106.80 3hxw n GLY 402 Ca 0.06 -0.47 -0.43 0.00 0.00 0.00 0.00 46.02 45.18 3hxw n GLY 402 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hxw s PHE 403 N -2.50 2.97 0.57 1.61 0.40 -0.55 -4.95 117.98 115.54 3hxw s PHE 403 Ca 0.00 0.33 -0.21 0.00 -0.60 0.00 0.00 56.93 56.45 3hxw s PHE 403 Cb 0.00 -3.79 -0.04 0.00 0.51 0.00 0.00 43.02 39.70 3hxw s PHE 403 CO 0.00 -1.01 1.34 -2.30 0.70 0.00 0.00 175.22 173.95 3hxw n PRO 404 N 6.91 1.55 -0.07 0.24 -0.02 -1.26 -3.47 135.00 138.87 3hxw n PRO 404 Ca 0.04 0.58 0.08 0.00 -2.02 0.00 0.00 63.50 62.18 3hxw n PRO 404 Cb 0.48 -2.56 0.44 0.00 -0.02 0.00 0.00 33.50 31.84 3hxw n PRO 404 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 3hxw h VAL 405 N 1.20 1.01 0.00 -1.45 3.04 -1.96 -0.30 116.25 117.79 3hxw h VAL 405 Ca -0.51 -0.19 -0.06 0.00 -1.01 0.00 0.00 66.70 64.93 3hxw h VAL 405 Cb 1.31 0.41 -0.01 0.00 -2.01 0.00 0.00 31.29 31.00 3hxw h VAL 405 CO 0.56 0.10 -0.28 -2.24 -1.01 0.00 0.00 177.57 174.70 3hxw h ASP 406 N 0.55 0.00 -0.12 3.17 3.04 -1.98 0.08 116.42 121.16 3hxw h ASP 406 Ca 0.24 0.00 -0.06 0.00 -3.24 0.00 0.00 57.03 53.96 3hxw h ASP 406 Cb 0.24 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 38.53 3hxw h ASP 406 CO -0.07 0.28 -0.17 0.25 -2.04 0.00 0.00 179.24 177.50 3hxw h LEU 407 N 0.00 0.35 -0.61 0.15 6.46 -1.41 -1.39 115.31 118.87 3hxw h LEU 407 Ca -0.00 -0.53 0.03 0.00 -0.12 0.00 0.00 57.88 57.26 3hxw h LEU 407 Cb 0.78 -0.10 -0.04 0.00 -0.73 0.00 0.00 40.66 40.57 3hxw h LEU 407 CO 0.04 0.81 0.37 0.74 -0.62 0.00 0.00 178.44 179.78 3hxw h THR 408 N -0.09 1.07 -0.49 1.05 2.02 -1.21 -2.03 112.91 113.22 3hxw h THR 408 Ca 0.01 -0.25 -0.03 0.00 0.77 0.00 0.00 66.41 66.91 3hxw h THR 408 Cb 0.74 0.28 -0.02 0.00 -1.74 0.00 0.00 68.15 67.40 3hxw h THR 408 CO 0.04 0.13 0.17 0.00 0.37 0.00 0.00 175.52 176.24 3hxw h ALA 409 N 1.27 1.39 -0.34 6.16 0.00 -0.96 -1.47 119.26 125.30 3hxw h ALA 409 Ca 0.24 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 3hxw h ALA 409 Cb 0.02 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3hxw h ALA 409 CO -0.10 0.46 0.07 0.22 0.00 0.00 0.00 179.25 179.89 3hxw h ASP 410 N 0.70 0.53 -0.34 0.00 3.58 -0.77 0.82 116.42 120.94 3hxw h ASP 410 Ca 0.17 -0.25 -0.01 0.00 0.42 0.00 0.00 57.03 57.36 3hxw h ASP 410 Cb 0.18 -0.14 -0.02 0.00 1.72 0.00 0.00 39.33 41.07 3hxw h ASP 410 CO -0.01 0.64 0.19 0.58 -2.88 0.00 0.00 179.24 177.76 3hxw h VAL 411 N 0.40 1.14 -0.51 2.25 2.07 -1.12 -3.02 116.25 117.46 3hxw h VAL 411 Ca 0.11 -0.35 -0.07 0.00 0.82 0.00 0.00 66.70 67.20 3hxw h VAL 411 Cb 0.32 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 3hxw h VAL 411 CO 0.00 0.14 0.04 0.00 0.02 0.00 0.00 177.57 177.77 3hxw h ARG 413 N 0.78 0.78 0.00 0.00 2.43 -0.72 0.29 114.38 117.93 3hxw h ARG 413 Ca 0.16 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 3hxw h ARG 413 Cb 0.42 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.79 3hxw h ARG 413 CO 0.01 0.52 0.00 0.93 -1.51 0.00 0.00 179.97 179.93 3hxw h GLU 414 N 0.80 0.00 -0.14 0.20 5.08 -1.37 -1.73 114.58 117.43 3hxw h GLU 414 Ca 0.22 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 3hxw h GLU 414 Cb -0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.17 3hxw h GLU 414 CO -0.05 0.00 0.00 0.54 -1.00 0.00 0.00 179.01 178.50 3hxw n ARG 415 N -2.78 2.23 -3.13 2.33 1.74 -0.16 -4.97 116.66 111.92 3hxw n ARG 415 Ca -0.01 -2.57 -0.23 0.00 -0.77 0.00 0.00 57.85 54.27 3hxw n ARG 415 Cb 0.12 -1.59 0.04 0.00 -1.02 0.00 0.00 32.46 30.00 3hxw n ARG 415 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3hxw n ASN 416 N -0.83 -5.93 -4.40 0.55 3.02 -0.65 -5.00 115.26 102.02 3hxw n ASN 416 Ca 0.17 -0.33 -0.32 0.00 -0.03 0.00 0.00 54.58 54.06 3hxw n ASN 416 Cb 0.70 -4.78 -0.14 0.00 -0.61 0.00 0.00 39.78 34.95 3hxw n ASN 416 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3hxw s ILE 417 N -3.18 2.83 0.56 2.41 -1.09 -0.09 -4.96 121.20 117.69 3hxw s ILE 417 Ca 0.35 -0.78 -0.01 0.00 -2.23 0.00 0.00 60.65 57.98 3hxw s ILE 417 Cb -0.16 -2.12 0.03 0.00 -1.58 0.00 0.00 42.46 38.63 3hxw s ILE 417 CO 0.43 0.57 0.81 -0.54 -1.23 0.00 0.00 174.94 174.98 3hxw s LYS 418 N -0.28 2.61 -0.07 2.79 1.02 0.15 -3.09 119.74 122.86 3hxw s LYS 418 Ca 0.01 -0.57 0.05 0.00 0.02 0.00 0.00 55.97 55.48 3hxw s LYS 418 Cb -0.13 -2.43 -0.01 0.00 -0.52 0.00 0.00 37.83 34.75 3hxw s LYS 418 CO 0.03 -0.72 -0.23 0.08 -0.92 0.00 0.00 175.35 173.58 3hxw s VAL 419 N -2.83 2.23 -0.95 3.17 1.01 -1.26 -0.16 120.40 121.61 3hxw s VAL 419 Ca 0.56 -0.99 -0.24 0.00 0.00 0.00 0.00 61.98 61.31 3hxw s VAL 419 Cb -0.10 -1.84 -0.00 0.00 0.00 0.00 0.00 36.38 34.44 3hxw s VAL 419 CO 0.40 0.56 1.72 -0.62 0.00 0.00 0.00 175.10 177.16 3hxw s ASP 420 N -0.03 5.76 0.25 3.32 2.15 -0.35 -4.81 116.67 122.96 3hxw s ASP 420 Ca -0.07 -1.00 -0.03 0.00 0.43 0.00 0.00 52.55 51.88 3hxw s ASP 420 Cb -0.15 -2.56 0.31 0.00 -0.30 0.00 0.00 42.92 40.22 3hxw s ASP 420 CO 0.05 -2.18 1.77 -0.33 -0.17 0.00 0.00 175.17 174.31 3hxw h GLU 421 N 10.66 0.87 -0.66 4.34 4.39 -1.97 -1.70 114.58 130.51 3hxw h GLU 421 Ca 0.13 -0.21 -0.05 0.00 0.34 0.00 0.00 59.36 59.57 3hxw h GLU 421 Cb 1.01 -0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 29.52 3hxw h GLU 421 CO 1.31 0.83 0.22 0.00 -1.16 0.00 0.00 179.01 180.21 3hxw h ALA 422 N 1.25 1.15 -0.59 3.43 0.00 -1.99 -1.01 119.26 121.51 3hxw h ALA 422 Ca 0.17 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 3hxw h ALA 422 Cb 0.40 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3hxw h ALA 422 CO 0.01 0.59 -0.01 0.78 0.00 0.00 0.00 179.25 180.62 3hxw h GLY 423 N 1.05 1.13 0.97 0.00 0.00 -1.83 -0.43 103.07 103.97 3hxw h GLY 423 Ca 0.22 -0.84 -0.01 0.00 0.00 0.00 0.00 47.33 46.69 3hxw h GLY 423 CO -0.01 0.77 0.25 -2.75 0.00 0.00 0.00 176.54 174.80 3hxw h PHE 424 N 0.94 0.68 -0.27 5.60 3.04 -1.03 -1.42 116.94 124.48 3hxw h PHE 424 Ca 0.17 -0.02 -0.11 0.00 3.98 0.00 0.00 57.97 61.98 3hxw h PHE 424 Cb 0.57 -0.21 -0.01 0.00 2.56 0.00 0.00 35.95 38.85 3hxw h PHE 424 CO 0.04 0.52 -0.31 0.93 -2.02 0.00 0.00 178.31 177.48 3hxw h GLU 425 N 0.64 0.55 -0.67 1.11 5.08 -1.06 -1.23 114.58 119.01 3hxw h GLU 425 Ca 0.17 -0.24 -0.03 0.00 -1.00 0.00 0.00 59.36 58.26 3hxw h GLU 425 Cb 0.08 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.29 3hxw h GLU 425 CO -0.02 0.80 0.28 0.00 -1.00 0.00 0.00 179.01 179.06 3hxw h ALA 426 N 1.19 0.86 -0.62 3.43 0.00 -0.87 -0.46 119.26 122.80 3hxw h ALA 426 Ca 0.06 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.71 3hxw h ALA 426 Cb 0.77 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 3hxw h ALA 426 CO 0.06 0.47 0.02 0.00 0.00 0.00 0.00 179.25 179.80 3hxw h ALA 427 N 1.12 0.87 -0.45 0.00 0.00 -0.96 -0.61 119.26 119.23 3hxw h ALA 427 Ca 0.22 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 3hxw h ALA 427 Cb 0.19 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3hxw h ALA 427 CO -0.02 0.67 0.15 0.52 0.00 0.00 0.00 179.25 180.57 3hxw h MET 428 N 0.98 0.69 -0.69 0.00 2.07 -0.99 -2.22 114.93 114.79 3hxw h MET 428 Ca 0.18 -0.14 -0.06 0.00 -2.07 0.00 0.00 59.70 57.61 3hxw h MET 428 Cb 0.53 -0.10 -0.03 0.00 -1.87 0.00 0.00 31.60 30.13 3hxw h MET 428 CO 0.03 0.66 0.20 1.49 1.07 0.00 0.00 176.91 180.35 3hxw h GLU 429 N 0.59 1.09 -0.75 1.72 4.57 -0.90 -0.35 114.58 120.55 3hxw h GLU 429 Ca 0.15 -0.25 0.03 0.00 -1.18 0.00 0.00 59.36 58.11 3hxw h GLU 429 Cb 0.25 -0.15 -0.04 0.00 -0.16 0.00 0.00 28.75 28.64 3hxw h GLU 429 CO -0.01 0.95 0.48 0.93 -1.18 0.00 0.00 179.01 180.18 3hxw h GLU 430 N 1.02 0.91 -0.39 1.92 5.08 -0.97 -0.41 114.58 121.74 3hxw h GLU 430 Ca 0.22 -0.06 -0.13 0.00 -1.00 0.00 0.00 59.36 58.40 3hxw h GLU 430 Cb 0.33 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 3hxw h GLU 430 CO -0.00 0.61 -0.27 0.37 -1.00 0.00 0.00 179.01 178.71 3hxw h GLN 431 N 0.94 0.83 -0.76 2.33 4.15 -1.07 -1.94 115.11 119.59 3hxw h GLN 431 Ca 0.29 -0.37 0.04 0.00 0.77 0.00 0.00 58.65 59.39 3hxw h GLN 431 Cb -0.01 -0.02 -0.05 0.00 0.21 0.00 0.00 27.48 27.60 3hxw h GLN 431 CO -0.10 1.00 0.47 -0.09 -1.93 0.00 0.00 178.83 178.18 3hxw h ARG 432 N 0.71 0.88 -0.45 1.69 2.43 -0.49 -0.54 114.38 118.61 3hxw h ARG 432 Ca 0.09 -0.05 -0.08 0.00 -0.81 0.00 0.00 59.98 59.12 3hxw h ARG 432 Cb 0.81 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 30.14 3hxw h ARG 432 CO 0.07 0.58 -0.04 0.00 -1.51 0.00 0.00 179.97 179.07 3hxw h ARG 433 N 0.91 0.77 -0.67 0.20 3.08 -0.80 -1.03 114.38 116.84 3hxw h ARG 433 Ca 0.31 -0.23 -0.05 0.00 0.07 0.00 0.00 59.98 60.08 3hxw h ARG 433 Cb 0.06 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.00 3hxw h ARG 433 CO -0.13 0.81 0.20 0.00 -1.07 0.00 0.00 179.97 179.79 3hxw h ARG 434 N 0.72 1.04 -0.63 0.04 3.08 -0.74 -0.73 114.38 117.15 3hxw h ARG 434 Ca 0.13 -0.23 -0.03 0.00 0.07 0.00 0.00 59.98 59.92 3hxw h ARG 434 Cb 0.50 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.37 3hxw h ARG 434 CO 0.03 0.91 0.26 0.00 -1.07 0.00 0.00 179.97 180.09 3hxw h ALA 435 N 1.08 0.82 -0.44 0.04 0.00 -0.72 -1.44 119.26 118.61 3hxw h ALA 435 Ca 0.21 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 3hxw h ALA 435 Cb 0.30 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 3hxw h ALA 435 CO -0.01 0.43 0.15 0.00 0.00 0.00 0.00 179.25 179.82 3hxw h ARG 436 N 0.88 0.67 -0.65 0.00 3.08 -0.98 -0.92 114.38 116.45 3hxw h ARG 436 Ca 0.21 -0.14 -0.04 0.00 0.07 0.00 0.00 59.98 60.09 3hxw h ARG 436 Cb 0.19 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.11 3hxw h ARG 436 CO -0.02 0.64 0.26 1.49 -1.07 0.00 0.00 179.97 181.27 3hxw h GLU 437 N 0.57 0.98 -0.09 0.04 4.81 -0.96 -1.47 114.58 118.46 3hxw h GLU 437 Ca 0.14 -0.18 -0.22 0.00 -0.13 0.00 0.00 59.36 58.98 3hxw h GLU 437 Cb 0.24 -0.16 0.01 0.00 0.63 0.00 0.00 28.75 29.47 3hxw h GLU 437 CO -0.01 0.82 -0.83 0.00 -0.73 0.00 0.00 179.01 178.26 3hxw h ALA 438 N 1.11 0.36 -0.04 2.92 0.00 -1.20 -3.29 119.26 119.12 3hxw h ALA 438 Ca 0.22 -0.63 -0.17 0.00 0.00 0.00 0.00 54.91 54.33 3hxw h ALA 438 Cb 0.20 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3hxw h ALA 438 CO -0.02 0.72 -0.73 1.03 0.00 0.00 0.00 179.25 180.25 3hxw h SER 439 N 0.41 0.29 0.00 0.00 0.87 -1.09 -3.49 113.55 110.53 3hxw h SER 439 Ca -0.06 -0.19 0.00 0.00 -1.23 0.00 0.00 61.79 60.30 3hxw h SER 439 Cb 1.45 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 63.33 3hxw h SER 439 CO 0.16 0.92 0.00 0.61 -0.53 0.00 0.00 176.83 177.99 3hxw n GLY 440 N 0.55 0.07 0.00 5.77 0.00 -0.56 -5.09 105.19 105.93 3hxw n GLY 440 Ca -0.03 -1.13 0.00 0.00 0.00 0.00 0.00 46.02 44.87 3hxw n GLY 440 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65