#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xtb h ALA 1002N 0.00 0.21 -0.23 0.00 0.00 -1.95 -3.07 119.26 114.23 1xtb h ALA 1002Ca 0.00 0.13 0.06 0.00 0.00 0.00 0.00 54.91 55.10 1xtb h ALA 1002Cb 0.00 0.28 -0.06 0.00 0.00 0.00 0.00 17.79 18.01 1xtb h ALA 1002CO 0.00 -0.47 -0.15 1.25 0.00 0.00 0.00 179.25 179.88 1xtb h LEU 1003N -0.01 -0.48 -2.47 0.00 5.85 -1.84 -1.58 115.31 114.77 1xtb h LEU 1003Ca 0.17 0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.99 1xtb h LEU 1003Cb 0.27 0.25 -0.00 0.00 0.37 0.00 0.00 40.66 41.55 1xtb h LEU 1003CO -0.36 -0.19 -0.01 0.71 -0.34 0.00 0.00 178.44 178.25 1xtb h THR 1004N -0.13 0.08 0.00 1.05 1.35 -1.92 -1.27 112.91 112.06 1xtb h THR 1004Ca 0.13 -0.18 0.00 0.00 -0.55 0.00 0.00 66.41 65.81 1xtb h THR 1004Cb 0.33 1.17 0.00 0.00 -1.73 0.00 0.00 68.15 67.91 1xtb h THR 1004CO -0.31 0.01 -0.72 0.03 -0.25 0.00 0.00 175.52 174.28 1xtb h ARG 1005N 0.00 0.00 -6.65 4.72 3.08 -1.24 -3.45 114.38 110.84 1xtb h ARG 1005Ca -0.00 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.52 1xtb h ARG 1005Cb 0.16 0.00 0.05 0.00 0.08 0.00 0.00 29.97 30.26 1xtb h ARG 1005CO 0.00 0.00 0.83 1.21 -1.07 0.00 0.00 179.97 180.94 1xtb s ASN 1006N -4.53 6.62 0.30 7.04 2.47 -0.48 -4.92 114.94 121.44 1xtb s ASN 1006Ca 0.04 2.62 0.09 0.00 0.42 0.00 0.00 52.86 56.03 1xtb s ASN 1006Cb 0.12 -2.60 0.45 0.00 -1.45 0.00 0.00 41.25 37.77 1xtb s ASN 1006CO 0.74 -0.77 1.68 1.55 -3.72 0.00 0.00 177.10 176.58 1xtb h PRO 1007N 6.17 0.11 -0.14 0.43 0.13 -1.90 -2.45 132.00 134.34 1xtb h PRO 1007Ca -0.44 -0.06 -0.11 0.00 -0.87 0.00 0.00 66.00 64.52 1xtb h PRO 1007Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 1xtb h PRO 1007CO 0.86 0.58 -0.39 1.96 -0.23 0.00 0.00 178.00 180.78 1xtb h GLN 1008N 0.09 0.31 -0.17 0.86 7.50 -1.93 -1.91 115.11 119.85 1xtb h GLN 1008Ca 0.00 -0.14 -0.07 0.00 0.50 0.00 0.00 58.65 58.93 1xtb h GLN 1008Cb 0.91 -0.00 -0.00 0.00 0.05 0.00 0.00 27.48 28.44 1xtb h GLN 1008CO 0.07 0.66 -0.18 0.35 -1.50 0.00 0.00 178.83 178.23 1xtb h PHE 1009N 0.26 0.51 -0.83 2.96 3.57 -1.79 -1.99 116.94 119.63 1xtb h PHE 1009Ca 0.03 -0.16 -0.02 0.00 3.53 0.00 0.00 57.97 61.35 1xtb h PHE 1009Cb 0.81 -0.11 -0.04 0.00 2.79 0.00 0.00 35.95 39.41 1xtb h PHE 1009CO 0.02 0.80 0.45 1.96 -2.23 0.00 0.00 178.31 179.31 1xtb h GLN 1010N 0.07 1.16 -0.36 1.11 1.08 -1.35 0.67 115.11 117.49 1xtb h GLN 1010Ca 0.03 -0.14 -0.00 0.00 -1.45 0.00 0.00 58.65 57.09 1xtb h GLN 1010Cb 0.72 -0.23 -0.02 0.00 -0.05 0.00 0.00 27.48 27.91 1xtb h GLN 1010CO 0.04 0.85 0.21 -0.22 -0.95 0.00 0.00 178.83 178.77 1xtb h LYS 1011N 1.15 0.49 -0.20 1.46 3.64 -1.33 0.17 116.57 121.96 1xtb h LYS 1011Ca 0.29 -0.05 0.02 0.00 -1.27 0.00 0.00 60.65 59.64 1xtb h LYS 1011Cb 0.04 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.74 1xtb h LYS 1011CO -0.05 0.38 0.08 1.25 -2.27 0.00 0.00 179.45 178.84 1xtb h LEU 1012N 0.47 0.11 -0.56 5.20 5.85 -0.83 -0.98 115.31 124.57 1xtb h LEU 1012Ca 0.13 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.87 1xtb h LEU 1012Cb 0.02 -0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 1xtb h LEU 1012CO -0.02 0.09 0.36 -0.61 -0.34 0.00 0.00 178.44 177.91 1xtb h GLN 1013N 0.18 0.75 -0.68 1.25 4.15 -0.57 -1.45 115.11 118.74 1xtb h GLN 1013Ca 0.08 -0.05 -0.06 0.00 0.77 0.00 0.00 58.65 59.39 1xtb h GLN 1013Cb 0.04 -0.16 -0.03 0.00 0.21 0.00 0.00 27.48 27.54 1xtb h GLN 1013CO -0.07 0.51 0.21 0.37 -1.93 0.00 0.00 178.83 177.92 1xtb h GLN 1014N 0.76 1.07 -0.35 1.69 5.75 -0.40 -1.86 115.11 121.77 1xtb h GLN 1014Ca 0.20 -0.23 -0.01 0.00 -0.15 0.00 0.00 58.65 58.46 1xtb h GLN 1014Cb -0.06 -0.15 -0.02 0.00 1.07 0.00 0.00 27.48 28.32 1xtb h GLN 1014CO -0.04 0.92 0.18 2.35 -2.65 0.00 0.00 178.83 179.59 1xtb h TRP 1015N 1.00 0.48 -0.58 3.99 7.01 -0.88 -2.46 115.95 124.51 1xtb h TRP 1015Ca 0.22 -0.02 0.03 0.00 2.11 0.00 0.00 58.89 61.24 1xtb h TRP 1015Cb 0.31 -0.15 -0.04 0.00 -2.10 0.00 0.00 29.16 27.17 1xtb h TRP 1015CO 0.02 0.40 0.34 1.25 -2.79 0.00 0.00 178.44 177.66 1xtb h HIS 1016N 0.43 0.64 0.00 2.65 2.76 -1.02 0.19 115.15 120.80 1xtb h HIS 1016Ca 0.12 0.02 -0.03 0.00 -2.20 0.00 0.00 60.37 58.28 1xtb h HIS 1016Cb 0.08 -0.20 -0.00 0.00 1.55 0.00 0.00 27.41 28.83 1xtb h HIS 1016CO -0.02 0.35 -0.15 0.00 -1.30 0.00 0.00 177.93 176.80 1xtb h ARG 1017N 0.67 0.00 0.01 5.26 3.08 -1.14 0.53 114.38 122.79 1xtb h ARG 1017Ca 0.24 0.00 -0.30 0.00 0.07 0.00 0.00 59.98 59.99 1xtb h ARG 1017Cb 0.06 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.06 1xtb h ARG 1017CO -0.12 0.15 -1.78 0.39 -1.07 0.00 0.00 179.97 177.55 1xtb n GLU 1018N -4.16 0.65 0.00 0.04 1.02 -0.69 -4.66 120.64 112.84 1xtb n GLU 1018Ca -0.02 0.28 0.00 0.00 -0.02 0.00 0.00 57.16 57.39 1xtb n GLU 1018Cb 0.23 -1.77 0.00 0.00 -0.02 0.00 0.00 31.44 29.88 1xtb n GLU 1018CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1xtb n HIS 1019N -3.07 0.00 -0.26 -0.32 8.25 0.58 -4.90 115.22 115.51 1xtb n HIS 1019Ca -0.19 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.20 1xtb n HIS 1019Cb 1.06 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 32.14 1xtb n HIS 1019CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 1xtb h GLY 1020N 0.00 -0.36 1.61 -1.41 0.00 -0.02 -0.08 103.07 102.81 1xtb h GLY 1020Ca 0.00 0.56 0.00 0.00 0.00 0.00 0.00 47.33 47.89 1xtb h GLY 1020CO 0.00 -0.15 0.00 -1.14 0.00 0.00 0.00 176.54 175.25 1xtb n SER 1021N -5.41 0.00 0.11 0.19 3.41 -1.26 -2.57 113.62 108.09 1xtb n SER 1021Ca 0.04 0.14 0.04 0.00 -0.26 0.00 0.00 58.87 58.83 1xtb n SER 1021Cb 0.35 -0.30 0.00 0.00 -0.26 0.00 0.00 64.21 64.00 1xtb n SER 1021CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1xtb h GLU 1022N 0.00 0.00 -6.36 4.33 5.08 -1.36 -3.46 114.58 112.82 1xtb h GLU 1022Ca 0.00 0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 57.82 1xtb h GLU 1022Cb 0.13 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.39 1xtb h GLU 1022CO 0.00 0.27 1.13 -0.51 -1.00 0.00 0.00 179.01 178.90 1xtb s LEU 1023N -5.99 4.38 -0.20 1.33 1.43 -1.06 -4.98 118.68 113.59 1xtb s LEU 1023Ca 0.01 2.50 -0.02 0.00 -1.03 0.00 0.00 54.13 55.60 1xtb s LEU 1023Cb 0.08 -3.54 0.06 0.00 0.03 0.00 0.00 46.19 42.82 1xtb s LEU 1023CO 0.77 -0.97 0.00 0.21 0.23 0.00 0.00 176.35 176.58 1xtb s ASN 1024N 3.53 3.13 0.20 2.29 3.84 -1.26 -5.05 114.94 121.62 1xtb s ASN 1024Ca 0.80 -0.88 -0.19 0.00 0.21 0.00 0.00 52.86 52.79 1xtb s ASN 1024Cb -0.39 -0.79 0.16 0.00 -0.55 0.00 0.00 41.25 39.68 1xtb s ASN 1024CO 0.35 -0.27 1.58 -0.07 -2.79 0.00 0.00 177.10 175.90 1xtb h LEU 1025N 8.15 -1.16 -0.86 3.21 3.38 -1.90 0.22 115.31 126.36 1xtb h LEU 1025Ca -0.18 0.24 0.10 0.00 0.09 0.00 0.00 57.88 58.14 1xtb h LEU 1025Cb 1.11 0.60 -0.08 0.00 0.09 0.00 0.00 40.66 42.37 1xtb h LEU 1025CO 0.36 -0.30 0.49 -0.09 0.09 0.00 0.00 178.44 179.00 1xtb h ARG 1026N -0.12 0.79 -0.36 1.13 2.43 -1.92 -0.53 114.38 115.80 1xtb h ARG 1026Ca 0.27 -0.05 -0.07 0.00 -0.81 0.00 0.00 59.98 59.32 1xtb h ARG 1026Cb 0.56 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.92 1xtb h ARG 1026CO -0.74 0.52 -0.04 1.25 -1.51 0.00 0.00 179.97 179.45 1xtb h HIS 1027N 0.81 0.74 -0.60 2.20 2.76 -1.52 -1.16 115.15 118.39 1xtb h HIS 1027Ca 0.42 -0.14 0.02 0.00 -2.20 0.00 0.00 60.37 58.47 1xtb h HIS 1027Cb 0.41 -0.19 -0.04 0.00 1.55 0.00 0.00 27.41 29.14 1xtb h HIS 1027CO -0.05 0.79 0.37 -0.07 -1.30 0.00 0.00 177.93 177.67 1xtb h LEU 1028N 0.48 0.62 -0.37 0.26 3.38 -0.07 -1.31 115.31 118.30 1xtb h LEU 1028Ca 0.10 -0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.89 1xtb h LEU 1028Cb 0.52 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.14 1xtb h LEU 1028CO 0.03 0.43 -0.54 -0.26 0.09 0.00 0.00 178.44 178.19 1xtb h PHE 1029N 0.74 1.00 0.00 1.13 -1.00 -1.08 -2.33 116.94 115.40 1xtb h PHE 1029Ca 0.24 -0.35 -0.03 0.00 2.81 0.00 0.00 57.97 60.63 1xtb h PHE 1029Cb -0.00 -0.19 -0.00 0.00 3.61 0.00 0.00 35.95 39.36 1xtb h PHE 1029CO -0.05 1.16 -0.17 -0.44 -1.61 0.00 0.00 178.31 177.20 1xtb h ASP 1030N 0.62 0.00 -0.33 2.17 3.45 -0.89 -2.95 116.42 118.49 1xtb h ASP 1030Ca 0.02 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.48 1xtb h ASP 1030Cb 1.13 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.90 1xtb h ASP 1030CO 0.12 0.17 0.00 0.35 -1.57 0.00 0.00 179.24 178.30 1xtb n THR 1031N -4.08 0.59 -3.39 0.35 -2.24 -0.52 -4.83 114.28 100.16 1xtb n THR 1031Ca -0.02 -0.80 -0.20 0.00 -2.27 0.00 0.00 64.05 60.76 1xtb n THR 1031Cb 0.24 0.85 -0.09 0.00 -2.10 0.00 0.00 70.33 69.23 1xtb n THR 1031CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1xtb s ASP 1032N -1.18 1.68 0.50 3.42 3.68 -0.89 -4.99 116.67 118.90 1xtb s ASP 1032Ca 0.30 -1.61 0.33 0.00 2.13 0.00 0.00 52.55 53.69 1xtb s ASP 1032Cb 0.17 0.32 1.80 0.00 -1.45 0.00 0.00 42.92 43.76 1xtb s ASP 1032CO 0.23 -0.29 2.01 0.50 0.13 0.00 0.00 175.17 177.75 1xtb h LYS 1033N 7.22 0.00 -0.58 4.34 3.64 -1.88 -1.59 116.57 127.72 1xtb h LYS 1033Ca 0.02 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1xtb h LYS 1033Cb 1.04 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.86 1xtb h LYS 1033CO 0.24 0.00 0.00 0.39 -2.27 0.00 0.00 179.45 177.81 1xtb n GLU 1034N -2.67 2.46 0.02 1.90 -0.58 -1.26 -4.62 120.64 115.90 1xtb n GLU 1034Ca -0.02 -2.26 -0.10 0.00 -0.42 0.00 0.00 57.16 54.36 1xtb n GLU 1034Cb 0.07 -1.50 -0.04 0.00 -0.57 0.00 0.00 31.44 29.40 1xtb n GLU 1034CO 0.00 0.00 0.00 -0.09 -0.48 0.00 0.00 177.13 176.56 1xtb h ARG 1035N 3.83 -0.23 -0.43 3.49 2.43 -1.65 0.13 114.38 121.95 1xtb h ARG 1035Ca 0.00 0.02 0.05 0.00 -0.81 0.00 0.00 59.98 59.23 1xtb h ARG 1035Cb 0.87 0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 30.43 1xtb h ARG 1035CO 0.00 -0.16 0.18 0.35 -1.51 0.00 0.00 179.97 178.83 1xtb h PHE 1036N -0.24 0.32 -0.66 2.20 3.57 -1.85 0.04 116.94 120.32 1xtb h PHE 1036Ca 0.08 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.56 1xtb h PHE 1036Cb 0.36 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 38.99 1xtb h PHE 1036CO -0.26 0.14 0.27 -0.91 -2.23 0.00 0.00 178.31 175.32 1xtb h ASN 1037N 0.36 0.89 1.72 0.41 2.35 -1.80 -2.65 115.58 116.85 1xtb h ASN 1037Ca 0.19 -0.12 -0.01 0.00 -0.55 0.00 0.00 56.30 55.81 1xtb h ASN 1037Cb 0.15 -0.23 -0.00 0.00 0.05 0.00 0.00 38.32 38.29 1xtb h ASN 1037CO -0.17 0.79 -0.07 0.45 -1.65 0.00 0.00 177.43 176.78 1xtb h HIS 1038N 0.95 0.00 -0.94 1.19 3.86 -0.40 -3.36 115.15 116.46 1xtb h HIS 1038Ca 0.22 0.00 -0.45 0.00 -1.16 0.00 0.00 60.37 58.98 1xtb h HIS 1038Cb 0.18 0.00 -0.41 0.00 1.06 0.00 0.00 27.41 28.23 1xtb h HIS 1038CO 0.01 0.07 -0.94 1.19 0.86 0.00 0.00 177.93 179.12 1xtb n PHE 1039N -3.13 2.28 -3.92 2.45 3.01 -0.05 -5.04 117.46 113.06 1xtb n PHE 1039Ca 0.03 -2.56 -0.10 0.00 1.01 0.00 0.00 57.45 55.82 1xtb n PHE 1039Cb 0.51 -0.25 -0.11 0.00 -0.01 0.00 0.00 39.48 39.62 1xtb n PHE 1039CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 1xtb s SER 1040N -3.53 0.12 -0.07 4.37 1.04 -1.03 -1.33 113.70 113.27 1xtb s SER 1040Ca 0.40 -0.32 0.00 0.00 0.48 0.00 0.00 55.95 56.51 1xtb s SER 1040Cb 0.40 0.15 0.02 0.00 0.10 0.00 0.00 66.02 66.69 1xtb s SER 1040CO -0.04 -0.32 -0.06 -0.22 0.98 0.00 0.00 173.24 173.59 1xtb s LEU 1041N -1.33 1.18 -0.22 2.42 2.96 0.32 -4.97 118.68 119.03 1xtb s LEU 1041Ca -0.14 -0.19 -0.05 0.00 -0.22 0.00 0.00 54.13 53.53 1xtb s LEU 1041Cb -0.08 -0.61 -0.02 0.00 0.50 0.00 0.00 46.19 45.98 1xtb s LEU 1041CO 0.00 -0.09 -0.01 -0.89 -1.32 0.00 0.00 176.35 174.05 1xtb s THR 1042N 1.32 3.70 -0.21 3.68 2.01 -1.26 -0.17 115.64 124.72 1xtb s THR 1042Ca -0.04 -0.38 -0.04 0.00 0.31 0.00 0.00 61.69 61.53 1xtb s THR 1042Cb -0.14 -2.69 -0.02 0.00 0.01 0.00 0.00 72.50 69.66 1xtb s THR 1042CO -0.03 0.41 -0.02 -0.76 -0.69 0.00 0.00 174.62 173.53 1xtb s LEU 1043N 1.38 3.11 -0.42 4.42 1.43 0.34 -4.97 118.68 123.97 1xtb s LEU 1043Ca 0.05 -0.27 -0.13 0.00 -1.03 0.00 0.00 54.13 52.74 1xtb s LEU 1043Cb -0.15 -1.79 0.05 0.00 0.03 0.00 0.00 46.19 44.34 1xtb s LEU 1043CO -0.00 0.04 0.30 0.21 0.23 0.00 0.00 176.35 177.13 1xtb s ASN 1044N 1.15 5.95 0.00 2.29 3.04 -1.26 -0.79 114.94 125.31 1xtb s ASN 1044Ca 0.02 -1.17 0.28 0.00 0.04 0.00 0.00 52.86 52.03 1xtb s ASN 1044Cb -0.14 -2.10 1.07 0.00 -1.54 0.00 0.00 41.25 38.54 1xtb s ASN 1044CO 0.01 -0.52 1.76 0.35 -3.04 0.00 0.00 177.10 175.66 1xtb n THR 1045N 5.09 0.00 -0.67 -5.21 -2.24 -0.83 -4.88 114.28 105.54 1xtb n THR 1045Ca -0.11 -0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.51 1xtb n THR 1045Cb 0.45 0.28 0.00 0.00 -2.10 0.00 0.00 70.33 68.96 1xtb n THR 1045CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1xtb n ASN 1046N -0.36 0.00 -1.08 3.42 5.03 -1.26 -4.70 115.26 116.31 1xtb n ASN 1046Ca 0.17 0.00 0.04 0.00 0.87 0.00 0.00 54.58 55.65 1xtb n ASN 1046Cb 0.32 -0.47 0.05 0.00 -1.02 0.00 0.00 39.78 38.66 1xtb n ASN 1046CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.26 176.84 1xtb n HIS 1047N -2.00 0.00 0.00 3.10 8.25 -1.26 -5.09 115.22 118.22 1xtb n HIS 1047Ca 0.00 -0.57 0.00 0.00 -0.26 0.00 0.00 57.72 56.89 1xtb n HIS 1047Cb 0.00 -0.14 0.00 0.00 1.12 0.00 0.00 29.99 30.97 1xtb n HIS 1047CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1xtb n GLY 1048N 0.05 3.90 3.81 -1.41 0.00 -1.26 -4.81 105.19 105.48 1xtb n GLY 1048Ca 0.07 -1.59 -0.31 0.00 0.00 0.00 0.00 46.02 44.19 1xtb n GLY 1048CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1xtb s HIS 1049N -2.15 3.30 -0.14 1.61 0.09 -1.26 -1.97 115.29 114.76 1xtb s HIS 1049Ca 0.00 0.16 -0.00 0.00 -0.00 0.00 0.00 55.06 55.21 1xtb s HIS 1049Cb 0.00 -1.69 0.03 0.00 -0.00 0.00 0.00 32.58 30.93 1xtb s HIS 1049CO 0.00 0.55 -0.07 0.42 -0.00 0.00 0.00 174.74 175.64 1xtb s ILE 1050N -1.37 1.11 -0.27 0.60 1.01 0.03 -1.31 121.20 121.01 1xtb s ILE 1050Ca 0.29 -0.48 -0.09 0.00 0.00 0.00 0.00 60.65 60.37 1xtb s ILE 1050Cb -0.12 -1.20 -0.03 0.00 0.01 0.00 0.00 42.46 41.12 1xtb s ILE 1050CO 0.21 0.26 0.13 -0.22 0.00 0.00 0.00 174.94 175.32 1xtb s LEU 1051N 1.65 3.76 -0.50 2.97 2.96 0.21 -0.50 118.68 129.23 1xtb s LEU 1051Ca 0.03 -0.17 -0.10 0.00 -0.22 0.00 0.00 54.13 53.67 1xtb s LEU 1051Cb -0.14 -2.01 0.13 0.00 0.50 0.00 0.00 46.19 44.66 1xtb s LEU 1051CO -0.08 -0.06 0.38 -0.22 -1.32 0.00 0.00 176.35 175.05 1xtb s LEU 1052N 1.67 5.78 -0.48 -0.68 2.96 0.76 -1.18 118.68 127.52 1xtb s LEU 1052Ca 0.06 -1.97 -0.17 0.00 -0.22 0.00 0.00 54.13 51.83 1xtb s LEU 1052Cb -0.16 -2.04 0.06 0.00 0.50 0.00 0.00 46.19 44.55 1xtb s LEU 1052CO 0.07 -0.70 0.51 -0.62 -1.32 0.00 0.00 176.35 174.29 1xtb s ASP 1053N 2.68 6.19 -0.22 3.68 2.15 -0.22 -0.53 116.67 130.41 1xtb s ASP 1053Ca 0.06 -1.01 0.14 0.00 0.43 0.00 0.00 52.55 52.17 1xtb s ASP 1053Cb -0.26 -2.24 0.48 0.00 -0.30 0.00 0.00 42.92 40.61 1xtb s ASP 1053CO -0.01 -0.74 1.39 0.00 -0.17 0.00 0.00 175.17 175.64 1xtb n TYR 1054N 5.72 0.83 0.20 -5.34 0.18 -0.44 -1.46 117.16 116.84 1xtb n TYR 1054Ca -0.09 -1.20 0.07 0.00 1.88 0.00 0.00 57.90 58.57 1xtb n TYR 1054Cb 0.45 -0.36 0.36 0.00 -0.38 0.00 0.00 39.34 39.42 1xtb n TYR 1054CO 0.00 0.00 0.00 0.66 -2.08 0.00 0.00 176.86 175.44 1xtb h SER 1055N 1.20 0.00 -0.20 9.48 4.64 -1.56 -3.14 113.55 123.97 1xtb h SER 1055Ca 0.09 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.29 1xtb h SER 1055Cb 1.45 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.48 1xtb h SER 1055CO 0.25 0.33 0.15 0.29 -0.87 0.00 0.00 176.83 176.98 1xtb n LYS 1056N -3.47 1.29 -4.18 4.77 5.02 -1.26 -4.84 118.16 115.50 1xtb n LYS 1056Ca 0.00 -0.62 -0.26 0.00 -2.02 0.00 0.00 58.31 55.40 1xtb n LYS 1056Cb 0.49 -1.24 -0.07 0.00 -0.02 0.00 0.00 35.03 34.19 1xtb n LYS 1056CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 1xtb s ASN 1057N 0.90 4.96 -1.28 4.39 0.01 -1.19 -1.62 114.94 121.12 1xtb s ASN 1057Ca 0.12 -0.33 -0.13 0.00 -0.71 0.00 0.00 52.86 51.81 1xtb s ASN 1057Cb 0.10 -1.12 -0.05 0.00 0.41 0.00 0.00 41.25 40.59 1xtb s ASN 1057CO 0.01 0.08 2.36 0.18 -1.51 0.00 0.00 177.10 178.22 1xtb n LEU 1058N -0.19 6.53 -4.14 0.60 4.77 -1.26 -4.85 117.00 118.45 1xtb n LEU 1058Ca -0.09 -3.74 -0.09 0.00 -0.03 0.00 0.00 56.01 52.05 1xtb n LEU 1058Cb 0.55 -1.43 -0.10 0.00 -2.33 0.00 0.00 43.42 40.12 1xtb n LEU 1058CO 0.40 1.01 -0.32 0.68 -1.33 0.00 0.00 177.39 177.83 1xtb s VAL 1059N 3.30 0.21 0.26 4.08 -7.23 -1.26 -5.05 120.40 114.71 1xtb s VAL 1059Ca 0.54 -1.89 0.02 0.00 -1.81 0.00 0.00 61.98 58.84 1xtb s VAL 1059Cb 0.15 -1.88 -0.05 0.00 0.56 0.00 0.00 36.38 35.15 1xtb s VAL 1059CO -0.03 -0.64 0.07 0.42 -0.31 0.00 0.00 175.10 174.61 1xtb s THR 1060N -3.96 0.71 0.25 5.32 -4.23 -1.26 -4.98 115.64 107.49 1xtb s THR 1060Ca 0.19 -2.00 -0.04 0.00 -1.18 0.00 0.00 61.69 58.66 1xtb s THR 1060Cb 0.07 -2.60 0.22 0.00 1.34 0.00 0.00 72.50 71.54 1xtb s THR 1060CO -0.02 -0.07 1.74 -0.33 -0.54 0.00 0.00 174.62 175.40 1xtb h GLU 1061N 2.37 0.46 -0.77 3.99 4.39 -1.99 0.39 114.58 123.42 1xtb h GLU 1061Ca -0.39 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.28 1xtb h GLU 1061Cb 1.24 -0.10 -0.04 0.00 -0.10 0.00 0.00 28.75 29.75 1xtb h GLU 1061CO 0.63 0.31 0.46 1.49 -1.16 0.00 0.00 179.01 180.73 1xtb h GLU 1062N 0.48 1.06 -0.31 2.33 4.81 -1.99 -0.89 114.58 120.06 1xtb h GLU 1062Ca 0.42 -0.10 -0.06 0.00 -0.13 0.00 0.00 59.36 59.49 1xtb h GLU 1062Cb 0.62 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.78 1xtb h GLU 1062CO -0.39 0.76 -0.03 0.28 -0.73 0.00 0.00 179.01 178.90 1xtb h VAL 1063N 1.06 1.27 -0.38 0.32 2.07 -1.39 -1.94 116.25 117.25 1xtb h VAL 1063Ca 0.28 -1.02 -0.01 0.00 0.82 0.00 0.00 66.70 66.77 1xtb h VAL 1063Cb -0.02 1.30 -0.02 0.00 -1.52 0.00 0.00 31.29 31.04 1xtb h VAL 1063CO -0.05 0.33 0.20 0.24 0.02 0.00 0.00 177.57 178.31 1xtb h MET 1064N 0.36 0.52 -0.25 1.57 2.86 -0.78 -0.30 114.93 118.91 1xtb h MET 1064Ca 0.09 -0.05 -0.06 0.00 -2.06 0.00 0.00 59.70 57.62 1xtb h MET 1064Cb 0.49 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.03 1xtb h MET 1064CO 0.02 0.39 -0.06 1.25 1.06 0.00 0.00 176.91 179.57 1xtb h HIS 1065N 0.53 0.55 -0.76 -0.22 6.17 -0.89 -0.45 115.15 120.08 1xtb h HIS 1065Ca 0.14 -0.12 -0.06 0.00 0.71 0.00 0.00 60.37 61.04 1xtb h HIS 1065Cb 0.02 -0.13 -0.03 0.00 2.52 0.00 0.00 27.41 29.79 1xtb h HIS 1065CO 0.00 0.71 0.26 0.52 0.71 0.00 0.00 177.93 180.13 1xtb h MET 1066N 0.24 1.17 -0.23 5.26 2.86 -0.88 0.09 114.93 123.43 1xtb h MET 1066Ca 0.06 -0.24 -0.01 0.00 -2.06 0.00 0.00 59.70 57.46 1xtb h MET 1066Cb 0.53 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 32.01 1xtb h MET 1066CO 0.03 0.98 0.12 -0.07 1.06 0.00 0.00 176.91 179.02 1xtb h LEU 1067N 1.12 0.30 -0.94 1.22 3.38 -0.92 -1.66 115.31 117.82 1xtb h LEU 1067Ca 0.25 -0.11 -0.08 0.00 0.09 0.00 0.00 57.88 58.03 1xtb h LEU 1067Cb 0.29 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 1xtb h LEU 1067CO -0.01 0.33 -0.04 -0.07 0.09 0.00 0.00 178.44 178.73 1xtb h LEU 1068N 0.26 0.70 -1.13 1.67 3.38 -0.83 -1.70 115.31 117.66 1xtb h LEU 1068Ca 0.08 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.84 1xtb h LEU 1068Cb 0.10 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 1xtb h LEU 1068CO -0.01 0.80 0.24 0.44 0.09 0.00 0.00 178.44 180.00 1xtb h ASP 1069N 0.68 0.78 -0.32 -0.43 3.32 -0.73 -1.33 116.42 118.39 1xtb h ASP 1069Ca 0.13 -0.10 -0.09 0.00 0.02 0.00 0.00 57.03 56.99 1xtb h ASP 1069Cb 0.48 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 1xtb h ASP 1069CO 0.02 0.70 -0.15 0.25 -1.72 0.00 0.00 179.24 178.34 1xtb h LEU 1070N 0.85 0.69 -0.95 1.55 5.85 -0.75 0.66 115.31 123.21 1xtb h LEU 1070Ca 0.20 -0.41 0.02 0.00 0.84 0.00 0.00 57.88 58.54 1xtb h LEU 1070Cb 0.15 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 40.94 1xtb h LEU 1070CO -0.02 0.94 0.62 0.00 -0.34 0.00 0.00 178.44 179.65 1xtb h ALA 1071N 0.77 1.22 0.11 1.25 0.00 -0.97 0.09 119.26 121.74 1xtb h ALA 1071Ca 0.07 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1xtb h ALA 1071Cb 0.68 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1xtb h ALA 1071CO 0.05 0.55 -0.05 -0.22 0.00 0.00 0.00 179.25 179.58 1xtb h LYS 1072N 1.25 -0.14 0.00 0.00 3.64 -1.04 -2.68 116.57 117.60 1xtb h LYS 1072Ca 0.36 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.75 1xtb h LYS 1072Cb -0.09 0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 31.77 1xtb h LYS 1072CO -0.09 0.20 -0.02 0.66 -2.27 0.00 0.00 179.45 177.92 1xtb h SER 1073N -0.51 0.00 -0.19 4.20 4.64 -0.54 -0.31 113.55 120.84 1xtb h SER 1073Ca -0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1xtb h SER 1073Cb 0.41 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 1xtb h SER 1073CO 0.03 0.02 0.00 0.54 -0.87 0.00 0.00 176.83 176.55 1xtb n ARG 1074N -3.42 1.67 -3.27 4.77 5.12 -0.01 -4.94 116.66 116.59 1xtb n ARG 1074Ca -0.02 -1.02 -0.18 0.00 -1.93 0.00 0.00 57.85 54.70 1xtb n ARG 1074Cb 0.12 -1.35 0.06 0.00 -1.16 0.00 0.00 32.46 30.13 1xtb n ARG 1074CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1xtb n GLY 1075N 1.07 -0.19 0.21 -0.13 0.00 -0.13 -4.77 105.19 101.25 1xtb n GLY 1075Ca 0.15 0.02 -0.06 0.00 0.00 0.00 0.00 46.02 46.12 1xtb n GLY 1075CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1xtb h VAL 1076N -1.93 1.09 -0.51 1.61 2.07 -1.66 -1.70 116.25 115.22 1xtb h VAL 1076Ca -0.43 -0.22 -0.05 0.00 0.82 0.00 0.00 66.70 66.83 1xtb h VAL 1076Cb 1.28 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 31.43 1xtb h VAL 1076CO 0.43 0.12 0.14 -0.33 0.02 0.00 0.00 177.57 177.94 1xtb h GLU 1077N 0.64 0.80 -0.47 1.57 5.08 -1.90 -0.51 114.58 119.79 1xtb h GLU 1077Ca 0.19 -0.19 -0.07 0.00 -1.00 0.00 0.00 59.36 58.30 1xtb h GLU 1077Cb -0.03 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.09 1xtb h GLU 1077CO -0.06 0.76 0.01 0.00 -1.00 0.00 0.00 179.01 178.72 1xtb h ALA 1078N 1.01 1.14 -0.41 3.43 0.00 -1.93 -1.80 119.26 120.70 1xtb h ALA 1078Ca 0.16 -0.25 -0.14 0.00 0.00 0.00 0.00 54.91 54.68 1xtb h ALA 1078Cb 0.31 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1xtb h ALA 1078CO -0.00 0.56 -0.31 0.00 0.00 0.00 0.00 179.25 179.50 1xtb h ALA 1079N 1.29 0.68 -0.09 0.00 0.00 -1.05 -2.13 119.26 117.95 1xtb h ALA 1079Ca 0.14 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1xtb h ALA 1079Cb 0.43 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 1xtb h ALA 1079CO 0.02 0.67 0.06 -0.09 0.00 0.00 0.00 179.25 179.91 1xtb h ARG 1080N 0.76 0.12 -0.88 0.00 2.43 -0.73 -1.56 114.38 114.52 1xtb h ARG 1080Ca 0.08 -0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.26 1xtb h ARG 1080Cb 0.88 -0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 30.35 1xtb h ARG 1080CO 0.08 0.08 0.58 0.93 -1.51 0.00 0.00 179.97 180.13 1xtb h GLU 1081N 0.12 1.11 -0.89 0.20 4.39 -1.26 -0.97 114.58 117.29 1xtb h GLU 1081Ca 0.03 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.67 1xtb h GLU 1081Cb -0.01 -0.25 -0.04 0.00 -0.10 0.00 0.00 28.75 28.35 1xtb h GLU 1081CO -0.01 0.74 0.55 0.77 -1.16 0.00 0.00 179.01 179.90 1xtb h SER 1082N 1.15 1.04 0.27 1.42 0.02 -1.00 0.22 113.55 116.66 1xtb h SER 1082Ca 0.34 -0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 61.23 1xtb h SER 1082Cb -0.06 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.22 1xtb h SER 1082CO -0.09 0.78 -0.13 -0.03 -1.14 0.00 0.00 176.83 176.22 1xtb h MET 1083N 1.21 -0.35 -0.04 3.45 1.85 -0.40 -1.55 114.93 119.10 1xtb h MET 1083Ca 0.32 0.02 -0.01 0.00 -0.61 0.00 0.00 59.70 59.43 1xtb h MET 1083Cb -0.09 0.08 -0.00 0.00 0.43 0.00 0.00 31.60 32.02 1xtb h MET 1083CO -0.06 -0.04 -0.02 0.74 -0.40 0.00 0.00 176.91 177.13 1xtb h PHE 1084N -0.68 0.05 -0.09 1.39 -1.00 -0.96 -2.23 116.94 113.42 1xtb h PHE 1084Ca -0.04 -0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.74 1xtb h PHE 1084Cb 0.47 -0.02 0.00 0.00 3.61 0.00 0.00 35.95 40.02 1xtb h PHE 1084CO 0.02 0.07 0.00 0.09 -1.61 0.00 0.00 178.31 176.89 1xtb n ASN 1085N -4.48 0.61 -0.07 2.17 3.02 0.74 -4.90 115.26 112.35 1xtb n ASN 1085Ca -0.02 -1.73 -0.01 0.00 -0.03 0.00 0.00 54.58 52.79 1xtb n ASN 1085Cb 0.13 -0.06 -0.00 0.00 -0.61 0.00 0.00 39.78 39.24 1xtb n ASN 1085CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xtb n GLY 1086N 0.81 0.49 3.78 7.41 0.00 -0.84 -4.52 105.19 112.32 1xtb n GLY 1086Ca 0.10 -0.40 -0.35 0.00 0.00 0.00 0.00 46.02 45.38 1xtb n GLY 1086CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xtb s GLU 1087N -1.02 3.40 -1.33 1.61 2.02 -0.59 -4.74 118.70 118.05 1xtb s GLU 1087Ca 0.00 1.54 -0.15 0.00 0.02 0.00 0.00 54.97 56.38 1xtb s GLU 1087Cb 0.00 -2.02 0.09 0.00 0.10 0.00 0.00 34.13 32.30 1xtb s GLU 1087CO 0.00 -0.80 1.84 1.63 0.02 0.00 0.00 175.26 177.95 1xtb n LYS 1088N -1.34 3.17 0.21 1.61 5.02 -1.26 -4.09 118.16 121.48 1xtb n LYS 1088Ca 0.11 -3.20 0.10 0.00 -2.02 0.00 0.00 58.31 53.30 1xtb n LYS 1088Cb 0.51 -3.32 0.31 0.00 -0.02 0.00 0.00 35.03 32.51 1xtb n LYS 1088CO 0.00 0.00 0.00 -0.84 -0.52 0.00 0.00 177.40 176.04 1xtb h ILE 1089N 4.83 0.36 -0.40 -0.18 3.07 -1.87 -3.36 117.51 119.96 1xtb h ILE 1089Ca 0.46 -1.23 -0.54 0.00 1.55 0.00 0.00 64.86 65.10 1xtb h ILE 1089Cb 0.78 1.94 -0.03 0.00 -0.27 0.00 0.00 36.82 39.25 1xtb h ILE 1089CO 1.56 0.18 1.88 -3.20 -1.05 0.00 0.00 178.15 177.52 1xtb n ASN 1090N -3.21 3.51 -0.31 2.16 4.05 -0.72 -4.75 115.26 115.98 1xtb n ASN 1090Ca 0.02 -2.77 -0.04 0.00 0.45 0.00 0.00 54.58 52.24 1xtb n ASN 1090Cb 0.51 -1.59 0.08 0.00 1.23 0.00 0.00 39.78 40.01 1xtb n ASN 1090CO 0.00 0.00 0.00 0.77 -3.05 0.00 0.00 177.26 174.98 1xtb h SER 1091N 8.32 1.00 0.99 1.20 4.64 -1.82 0.44 113.55 128.32 1xtb h SER 1091Ca 0.36 -0.05 -0.00 0.00 -0.47 0.00 0.00 61.79 61.63 1xtb h SER 1091Cb 0.82 -0.25 -0.00 0.00 -0.31 0.00 0.00 62.40 62.66 1xtb h SER 1091CO 1.53 0.75 -0.01 0.71 -0.87 0.00 0.00 176.83 178.94 1xtb h THR 1092N 1.15 0.02 -0.00 2.95 1.35 -1.94 -2.84 112.91 113.59 1xtb h THR 1092Ca 0.31 -0.52 0.00 0.00 -0.55 0.00 0.00 66.41 65.64 1xtb h THR 1092Cb -0.08 1.51 0.00 0.00 -1.73 0.00 0.00 68.15 67.85 1xtb h THR 1092CO -0.06 0.01 -0.09 -0.62 -0.25 0.00 0.00 175.52 174.50 1xtb n GLU 1093N -3.10 2.15 -3.60 4.72 1.02 -1.06 -5.02 120.64 115.73 1xtb n GLU 1093Ca 0.00 -0.47 -0.28 0.00 -0.02 0.00 0.00 57.16 56.40 1xtb n GLU 1093Cb 0.30 -0.94 0.04 0.00 -0.02 0.00 0.00 31.44 30.83 1xtb n GLU 1093CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1xtb n ASP 1094N -0.30 -5.61 -4.11 1.62 2.03 0.15 -5.01 116.55 105.31 1xtb n ASP 1094Ca 0.02 -0.93 -0.10 0.00 0.52 0.00 0.00 54.79 54.30 1xtb n ASP 1094Cb 0.11 -3.61 -0.10 0.00 -0.72 0.00 0.00 41.12 36.79 1xtb n ASP 1094CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1xtb s ARG 1095N -5.59 0.68 0.73 -0.67 0.52 -0.65 -5.02 118.95 108.94 1xtb s ARG 1095Ca 0.43 -1.12 -0.11 0.00 -0.52 0.00 0.00 55.73 54.41 1xtb s ARG 1095Cb -0.14 -0.12 0.03 0.00 0.52 0.00 0.00 34.95 35.24 1xtb s ARG 1095CO 0.84 -0.02 1.11 0.00 0.02 0.00 0.00 175.30 177.25 1xtb s ALA 1096N -2.96 2.86 -0.37 2.13 0.00 -1.26 -1.76 121.76 120.39 1xtb s ALA 1096Ca 0.03 -0.45 0.02 0.00 0.00 0.00 0.00 51.96 51.56 1xtb s ALA 1096Cb 0.01 -2.98 0.11 0.00 0.00 0.00 0.00 23.12 20.26 1xtb s ALA 1096CO -0.04 -1.27 0.13 0.08 0.00 0.00 0.00 175.76 174.67 1xtb s VAL 1097N -3.40 1.54 -0.43 0.00 1.01 -1.26 -4.36 120.40 113.50 1xtb s VAL 1097Ca 0.59 -2.11 0.10 0.00 0.00 0.00 0.00 61.98 60.56 1xtb s VAL 1097Cb -0.11 -2.12 0.38 0.00 0.00 0.00 0.00 36.38 34.53 1xtb s VAL 1097CO 0.51 -0.72 0.90 0.18 0.00 0.00 0.00 175.10 175.97 1xtb n LEU 1098N 4.21 2.60 0.23 3.92 4.77 -0.63 -4.72 117.00 127.37 1xtb n LEU 1098Ca 0.03 -4.92 0.11 0.00 -0.03 0.00 0.00 56.01 51.19 1xtb n LEU 1098Cb 0.39 0.12 0.49 0.00 -2.33 0.00 0.00 43.42 42.09 1xtb n LEU 1098CO 0.19 2.13 0.83 1.12 -1.33 0.00 0.00 177.39 180.33 1xtb h HIS 1099N 2.92 0.00 0.00 -1.77 2.07 -1.87 -2.57 115.15 113.93 1xtb h HIS 1099Ca 0.10 0.00 -0.06 0.00 -2.85 0.00 0.00 60.37 57.56 1xtb h HIS 1099Cb 0.89 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.86 1xtb h HIS 1099CO 0.63 0.20 -0.27 -0.39 -3.07 0.00 0.00 177.93 175.03 1xtb h VAL 1100N 0.00 1.14 -0.10 6.12 -1.51 -1.94 -2.11 116.25 117.85 1xtb h VAL 1100Ca -0.00 -0.96 -0.10 0.00 -1.23 0.00 0.00 66.70 64.40 1xtb h VAL 1100Cb 0.70 1.53 -0.01 0.00 -2.13 0.00 0.00 31.29 31.38 1xtb h VAL 1100CO 0.03 0.27 -0.41 0.00 -1.23 0.00 0.00 177.57 176.23 1xtb h ALA 1101N 1.73 1.13 -0.09 5.19 0.00 -1.83 -2.60 119.26 122.79 1xtb h ALA 1101Ca -0.00 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1xtb h ALA 1101Cb 0.50 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 1xtb h ALA 1101CO 0.04 0.58 0.06 -0.07 0.00 0.00 0.00 179.25 179.85 1xtb h LEU 1102N 0.18 0.08 -3.12 0.00 3.38 -1.42 -2.56 115.31 111.85 1xtb h LEU 1102Ca 0.02 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 1xtb h LEU 1102Cb 0.80 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.51 1xtb h LEU 1102CO 0.06 0.06 -0.13 -2.11 0.09 0.00 0.00 178.44 176.41 1xtb n ARG 1103N -4.52 1.79 -2.10 1.13 1.85 -1.11 -4.91 116.66 108.78 1xtb n ARG 1103Ca -0.02 -2.92 -0.39 0.00 -1.00 0.00 0.00 57.85 53.53 1xtb n ARG 1103Cb 0.10 -1.66 -0.03 0.00 -1.05 0.00 0.00 32.46 29.82 1xtb n ARG 1103CO 0.00 0.00 0.00 -1.71 -0.01 0.00 0.00 177.63 175.91 1xtb n ASN 1104N -1.12 3.90 0.28 2.89 5.15 -0.97 -4.36 115.26 121.03 1xtb n ASN 1104Ca 0.21 -2.81 0.19 0.00 -0.60 0.00 0.00 54.58 51.57 1xtb n ASN 1104Cb 0.78 -1.65 0.96 0.00 -0.53 0.00 0.00 39.78 39.34 1xtb n ASN 1104CO 0.00 0.00 0.00 0.03 1.40 0.00 0.00 177.26 178.69 1xtb h ARG 1105N 7.99 0.00 0.00 1.20 2.47 -1.90 -0.55 114.38 123.59 1xtb h ARG 1105Ca 0.40 0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 59.09 1xtb h ARG 1105Cb 0.83 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.14 1xtb h ARG 1105CO 1.53 0.00 -0.12 0.77 0.56 0.00 0.00 179.97 182.71 1xtb h SER 1106N 0.00 0.00 -0.51 7.04 0.02 -2.00 -3.47 113.55 114.63 1xtb h SER 1106Ca 0.00 0.00 -0.22 0.00 -0.84 0.00 0.00 61.79 60.73 1xtb h SER 1106Cb 0.08 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 62.54 1xtb h SER 1106CO 0.00 0.12 -0.20 0.59 -1.14 0.00 0.00 176.83 176.20 1xtb n ASN 1107N -3.16 -5.04 -4.73 3.07 5.03 -0.22 -4.95 115.26 105.26 1xtb n ASN 1107Ca 0.02 0.27 -0.42 0.00 0.87 0.00 0.00 54.58 55.33 1xtb n ASN 1107Cb 0.51 -3.49 -0.03 0.00 -1.02 0.00 0.00 39.78 35.75 1xtb n ASN 1107CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 1xtb s THR 1108N -2.15 2.50 0.35 3.41 -4.23 -1.26 -4.90 115.64 109.36 1xtb s THR 1108Ca 0.00 0.39 -0.28 0.00 -1.18 0.00 0.00 61.69 60.62 1xtb s THR 1108Cb 0.00 -3.25 -0.12 0.00 1.34 0.00 0.00 72.50 70.47 1xtb s THR 1108CO 0.00 0.05 1.27 -0.81 -0.54 0.00 0.00 174.62 174.59 1xtb n PRO 1109N 3.09 2.05 -3.77 3.99 -0.04 -1.26 -4.95 135.00 134.12 1xtb n PRO 1109Ca 0.11 0.72 -0.29 0.00 -0.04 0.00 0.00 63.50 64.00 1xtb n PRO 1109Cb 0.39 -2.31 -0.16 0.00 -0.04 0.00 0.00 33.50 31.38 1xtb n PRO 1109CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1xtb s ILE 1110N -1.11 0.84 -0.14 0.52 1.01 -1.26 -5.04 121.20 116.01 1xtb s ILE 1110Ca 0.56 -0.99 -0.17 0.00 0.00 0.00 0.00 60.65 60.05 1xtb s ILE 1110Cb -0.56 -1.41 -0.04 0.00 0.01 0.00 0.00 42.46 40.46 1xtb s ILE 1110CO 0.61 -0.36 0.44 -0.69 0.00 0.00 0.00 174.94 174.94 1xtb s VAL 1111N 1.68 5.20 -0.11 2.92 1.01 -1.26 -1.36 120.40 128.49 1xtb s VAL 1111Ca 0.02 0.86 0.00 0.00 0.00 0.00 0.00 61.98 62.86 1xtb s VAL 1111Cb -0.17 -3.78 0.02 0.00 0.00 0.00 0.00 36.38 32.45 1xtb s VAL 1111CO -0.14 0.32 -0.09 -0.69 0.00 0.00 0.00 175.10 174.49 1xtb s VAL 1112N 0.75 1.10 -1.44 2.92 1.01 0.15 -4.65 120.40 120.25 1xtb s VAL 1112Ca 0.24 -0.36 -0.11 0.00 0.00 0.00 0.00 61.98 61.75 1xtb s VAL 1112Cb -0.15 -1.08 0.04 0.00 0.00 0.00 0.00 36.38 35.19 1xtb s VAL 1112CO 0.09 0.37 1.07 0.47 0.00 0.00 0.00 175.10 177.10 1xtb n ASP 1113N 4.67 -5.78 0.00 3.32 8.00 -1.26 -2.08 116.55 123.41 1xtb n ASP 1113Ca -0.15 -0.61 0.00 0.00 0.71 0.00 0.00 54.79 54.74 1xtb n ASP 1113Cb 0.50 -4.57 0.00 0.00 -0.02 0.00 0.00 41.12 37.03 1xtb n ASP 1113CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1xtb n GLY 1114N -1.86 0.68 3.00 0.44 0.00 -1.26 -5.03 105.19 101.16 1xtb n GLY 1114Ca 0.02 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.85 1xtb n GLY 1114CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xtb s LYS 1115N -0.01 0.71 0.12 1.61 1.02 -0.89 -5.09 119.74 117.20 1xtb s LYS 1115Ca 0.00 -0.28 -0.31 0.00 0.02 0.00 0.00 55.97 55.40 1xtb s LYS 1115Cb 0.00 -0.68 -0.07 0.00 -0.52 0.00 0.00 37.83 36.56 1xtb s LYS 1115CO 0.00 0.15 1.26 0.34 -0.92 0.00 0.00 175.35 176.19 1xtb s ASP 1116N -0.08 6.99 0.22 2.83 2.15 -1.26 -0.67 116.67 126.84 1xtb s ASP 1116Ca 0.02 2.19 0.24 0.00 0.43 0.00 0.00 52.55 55.42 1xtb s ASP 1116Cb -0.04 -2.59 0.27 0.00 -0.30 0.00 0.00 42.92 40.25 1xtb s ASP 1116CO -0.00 -0.51 1.32 -0.37 -0.17 0.00 0.00 175.17 175.45 1xtb h VAL 1117N 4.20 0.00 -0.68 1.11 -1.51 -1.58 -3.38 116.25 114.41 1xtb h VAL 1117Ca -0.43 -0.76 0.07 0.00 -1.23 0.00 0.00 66.70 64.35 1xtb h VAL 1117Cb 1.21 1.43 -0.06 0.00 -2.13 0.00 0.00 31.29 31.75 1xtb h VAL 1117CO 0.81 0.00 0.37 0.24 -1.23 0.00 0.00 177.57 177.76 1xtb h MET 1118N 0.00 0.66 -0.66 5.19 2.86 -1.92 -1.61 114.93 119.45 1xtb h MET 1118Ca 0.00 -0.04 0.11 0.00 -2.06 0.00 0.00 59.70 57.71 1xtb h MET 1118Cb 0.88 -0.15 -0.08 0.00 0.06 0.00 0.00 31.60 32.31 1xtb h MET 1118CO 0.00 0.43 0.25 -1.35 1.06 0.00 0.00 176.91 177.31 1xtb h PRO 1119N 0.68 0.42 -0.16 -0.22 0.11 -1.98 0.84 132.00 131.69 1xtb h PRO 1119Ca 0.31 -0.02 -0.14 0.00 0.11 0.00 0.00 66.00 66.26 1xtb h PRO 1119Cb 0.22 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.22 1xtb h PRO 1119CO -0.20 0.27 -0.49 1.05 -0.21 0.00 0.00 178.00 178.43 1xtb h GLU 1120N 0.43 0.41 -0.16 1.05 4.11 -1.72 -1.37 114.58 117.33 1xtb h GLU 1120Ca 0.34 -0.24 -0.01 0.00 0.07 0.00 0.00 59.36 59.53 1xtb h GLU 1120Cb 0.46 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 1xtb h GLU 1120CO -0.34 0.81 0.08 0.28 0.07 0.00 0.00 179.01 179.91 1xtb h VAL 1121N 0.33 1.13 -0.02 -1.06 2.07 -0.29 -2.49 116.25 115.93 1xtb h VAL 1121Ca 0.02 -0.38 -0.12 0.00 0.82 0.00 0.00 66.70 67.04 1xtb h VAL 1121Cb 0.98 1.08 -0.02 0.00 -1.52 0.00 0.00 31.29 31.81 1xtb h VAL 1121CO 0.09 0.12 -0.55 0.78 0.02 0.00 0.00 177.57 178.03 1xtb h ASN 1122N 0.14 0.05 -0.80 0.57 2.35 -0.83 -2.37 115.58 114.69 1xtb h ASN 1122Ca 0.06 -0.03 -0.04 0.00 -0.55 0.00 0.00 56.30 55.74 1xtb h ASN 1122Cb 0.12 -0.01 -0.04 0.00 0.05 0.00 0.00 38.32 38.44 1xtb h ASN 1122CO -0.01 0.59 0.36 0.50 -1.65 0.00 0.00 177.43 177.22 1xtb h LYS 1123N 0.03 1.18 -0.27 0.81 3.64 -1.07 -0.16 116.57 120.73 1xtb h LYS 1123Ca -0.00 -0.19 -0.18 0.00 -1.27 0.00 0.00 60.65 59.01 1xtb h LYS 1123Cb 0.98 -0.21 -0.00 0.00 -0.41 0.00 0.00 32.23 32.60 1xtb h LYS 1123CO 0.07 0.92 -0.53 0.28 -2.27 0.00 0.00 179.45 177.93 1xtb h VAL 1124N 1.16 1.29 -0.68 2.00 2.07 -1.27 -1.58 116.25 119.23 1xtb h VAL 1124Ca 0.27 -1.73 -0.03 0.00 0.82 0.00 0.00 66.70 66.03 1xtb h VAL 1124Cb 0.16 1.64 -0.03 0.00 -1.52 0.00 0.00 31.29 31.54 1xtb h VAL 1124CO -0.03 0.56 0.30 -0.07 0.02 0.00 0.00 177.57 178.35 1xtb h LEU 1125N 0.61 0.92 -0.55 2.57 3.38 -1.01 0.13 115.31 121.35 1xtb h LEU 1125Ca 0.02 -0.15 -0.05 0.00 0.09 0.00 0.00 57.88 57.78 1xtb h LEU 1125Cb 1.12 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.61 1xtb h LEU 1125CO 0.11 0.81 0.14 0.44 0.09 0.00 0.00 178.44 180.04 1xtb h ASP 1126N 0.96 0.83 -0.80 -0.43 3.32 -0.95 0.40 116.42 119.74 1xtb h ASP 1126Ca 0.23 -0.23 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 1xtb h ASP 1126Cb 0.16 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 39.45 1xtb h ASP 1126CO -0.02 0.84 0.46 0.50 -1.72 0.00 0.00 179.24 179.30 1xtb h LYS 1127N 0.78 1.11 -0.14 3.56 3.64 -0.86 -0.36 116.57 124.29 1xtb h LYS 1127Ca 0.17 -0.11 -0.00 0.00 -1.27 0.00 0.00 60.65 59.44 1xtb h LYS 1127Cb 0.33 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 1xtb h LYS 1127CO 0.00 0.80 0.07 0.52 -2.27 0.00 0.00 179.45 178.57 1xtb h MET 1128N 1.11 0.20 -0.24 1.90 2.86 -0.26 -1.61 114.93 118.89 1xtb h MET 1128Ca 0.29 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.90 1xtb h MET 1128Cb -0.01 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.60 1xtb h MET 1128CO -0.05 0.23 0.15 -0.22 1.06 0.00 0.00 176.91 178.09 1xtb h LYS 1129N 0.12 0.32 -0.33 1.72 3.64 -0.62 -0.38 116.57 121.04 1xtb h LYS 1129Ca 0.05 -0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.46 1xtb h LYS 1129Cb 0.10 -0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 31.80 1xtb h LYS 1129CO -0.01 0.23 0.02 0.00 -2.27 0.00 0.00 179.45 177.42 1xtb h ALA 1130N 1.07 0.32 -0.46 5.00 0.00 -0.94 -0.95 119.26 123.31 1xtb h ALA 1130Ca 0.09 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1xtb h ALA 1130Cb -0.02 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1xtb h ALA 1130CO -0.02 -0.38 0.24 0.35 0.00 0.00 0.00 179.25 179.44 1xtb h PHE 1131N 0.12 0.64 -0.33 0.00 3.57 -1.10 -2.70 116.94 117.14 1xtb h PHE 1131Ca 0.16 -0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.69 1xtb h PHE 1131Cb 0.20 -0.20 -0.04 0.00 2.79 0.00 0.00 35.95 38.70 1xtb h PHE 1131CO -0.22 0.49 0.06 0.00 -2.23 0.00 0.00 178.31 176.41 1xtb h GLN 1133N 0.17 0.36 -0.17 0.00 4.20 -1.04 0.22 115.11 118.84 1xtb h GLN 1133Ca 0.15 -0.02 0.01 0.00 0.06 0.00 0.00 58.65 58.85 1xtb h GLN 1133Cb 0.18 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.86 1xtb h GLN 1133CO -0.21 0.24 0.09 0.00 -0.67 0.00 0.00 178.83 178.28 1xtb h ARG 1134N 0.37 0.19 -0.23 1.46 3.08 -1.13 0.17 114.38 118.30 1xtb h ARG 1134Ca 0.22 -0.01 -0.05 0.00 0.07 0.00 0.00 59.98 60.20 1xtb h ARG 1134Cb 0.19 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 1xtb h ARG 1134CO -0.20 0.13 -0.06 0.28 -1.07 0.00 0.00 179.97 179.05 1xtb h VAL 1135N 0.20 1.28 -0.49 2.04 2.07 -0.99 0.30 116.25 120.66 1xtb h VAL 1135Ca 0.07 -1.05 -0.07 0.00 0.82 0.00 0.00 66.70 66.47 1xtb h VAL 1135Cb 0.01 1.51 -0.02 0.00 -1.52 0.00 0.00 31.29 31.27 1xtb h VAL 1135CO -0.04 0.32 0.04 0.03 0.02 0.00 0.00 177.57 177.94 1xtb h ARG 1136N 0.17 0.83 0.00 1.57 3.08 -0.49 -2.77 114.38 116.77 1xtb h ARG 1136Ca 0.06 -0.25 0.00 0.00 0.07 0.00 0.00 59.98 59.86 1xtb h ARG 1136Cb 0.51 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.48 1xtb h ARG 1136CO 0.02 0.86 0.00 -1.13 -1.07 0.00 0.00 179.97 178.65 1xtb n SER 1137N -4.38 0.71 0.00 7.04 3.41 0.60 -4.86 113.62 116.15 1xtb n SER 1137Ca 0.01 0.64 0.00 0.00 -0.26 0.00 0.00 58.87 59.26 1xtb n SER 1137Cb 0.29 -0.80 0.00 0.00 -0.26 0.00 0.00 64.21 63.43 1xtb n SER 1137CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xtb n GLY 1138N 0.41 0.73 0.30 5.00 0.00 -0.96 -4.94 105.19 105.73 1xtb n GLY 1138Ca 0.03 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.99 1xtb n GLY 1138CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1xtb h ASP 1139N 0.00 0.95 -2.90 1.61 3.58 -0.74 -3.41 116.42 115.51 1xtb h ASP 1139Ca 0.00 -0.17 -0.56 0.00 0.42 0.00 0.00 57.03 56.72 1xtb h ASP 1139Cb 0.00 -0.25 -0.03 0.00 1.72 0.00 0.00 39.33 40.78 1xtb h ASP 1139CO 0.00 0.86 0.88 0.86 -2.88 0.00 0.00 179.24 178.96 1xtb s TRP 1140N -5.56 2.78 0.07 0.28 -0.11 -0.12 -4.98 118.94 111.30 1xtb s TRP 1140Ca -0.13 0.90 0.05 0.00 1.22 0.00 0.00 56.10 58.14 1xtb s TRP 1140Cb 0.14 -3.57 -0.04 0.00 -1.50 0.00 0.00 33.47 28.50 1xtb s TRP 1140CO 0.81 -2.06 -0.05 0.15 -4.62 0.00 0.00 176.95 171.18 1xtb s LYS 1141N 3.17 2.40 1.07 5.86 -0.14 -1.26 -4.13 119.74 126.71 1xtb s LYS 1141Ca 0.59 -0.87 -0.17 0.00 -1.36 0.00 0.00 55.97 54.15 1xtb s LYS 1141Cb -0.25 -2.45 0.24 0.00 -1.68 0.00 0.00 37.83 33.69 1xtb s LYS 1141CO 0.20 0.55 1.23 0.20 -0.76 0.00 0.00 175.35 176.77 1xtb s GLY 1142N -2.04 1.70 0.00 -3.33 0.00 0.20 -4.82 107.32 99.03 1xtb s GLY 1142Ca 0.22 -1.10 0.03 0.00 0.00 0.00 0.00 44.72 43.87 1xtb s GLY 1142CO 0.14 -0.28 0.94 1.58 0.00 0.00 0.00 173.10 175.48 1xtb n TYR 1143N -4.20 0.00 -0.40 1.90 0.18 -1.26 -1.16 117.16 112.22 1xtb n TYR 1143Ca 0.14 0.00 0.04 0.00 1.88 0.00 0.00 57.90 59.96 1xtb n TYR 1143Cb 0.59 -0.30 0.06 0.00 -0.38 0.00 0.00 39.34 39.31 1xtb n TYR 1143CO 0.00 0.00 0.00 0.25 -2.08 0.00 0.00 176.86 175.03 1xtb n THR 1144N -1.30 1.34 -0.89 -3.48 -2.24 -1.26 -4.98 114.28 101.46 1xtb n THR 1144Ca 0.02 -1.47 0.00 0.00 -2.27 0.00 0.00 64.05 60.33 1xtb n THR 1144Cb 0.03 0.22 0.00 0.00 -2.10 0.00 0.00 70.33 68.48 1xtb n THR 1144CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xtb n GLY 1145N -0.81 0.67 3.87 3.38 0.00 -0.31 -5.04 105.19 106.96 1xtb n GLY 1145Ca 0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.74 1xtb n GLY 1145CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xtb s LYS 1146N -0.11 3.74 1.12 1.61 1.02 -1.26 -4.71 119.74 121.16 1xtb s LYS 1146Ca 0.00 0.13 -0.18 0.00 0.02 0.00 0.00 55.97 55.95 1xtb s LYS 1146Cb 0.00 -2.94 0.25 0.00 -0.52 0.00 0.00 37.83 34.62 1xtb s LYS 1146CO 0.00 0.52 1.14 0.95 -0.92 0.00 0.00 175.35 177.05 1xtb s THR 1147N -1.48 1.73 -0.22 2.17 -4.23 -1.26 0.61 115.64 112.96 1xtb s THR 1147Ca 0.36 0.00 -0.16 0.00 -1.18 0.00 0.00 61.69 60.70 1xtb s THR 1147Cb -0.13 -2.59 -0.04 0.00 1.34 0.00 0.00 72.50 71.08 1xtb s THR 1147CO 0.20 0.00 0.42 -0.63 -0.54 0.00 0.00 174.62 174.07 1xtb s ILE 1148N -3.16 5.17 -0.07 2.99 -1.09 -1.26 -4.53 121.20 119.25 1xtb s ILE 1148Ca 0.70 0.73 0.13 0.00 -2.23 0.00 0.00 60.65 59.98 1xtb s ILE 1148Cb -0.10 -3.75 -0.19 0.00 -1.58 0.00 0.00 42.46 36.84 1xtb s ILE 1148CO 0.55 0.21 0.30 0.35 -1.23 0.00 0.00 174.94 175.12 1xtb n THR 1149N 4.60 0.00 -3.94 2.92 -2.24 -0.74 -4.78 114.28 110.10 1xtb n THR 1149Ca -0.07 -0.28 -0.15 0.00 -2.27 0.00 0.00 64.05 61.27 1xtb n THR 1149Cb 0.51 0.29 -0.15 0.00 -2.10 0.00 0.00 70.33 68.87 1xtb n THR 1149CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1xtb s ASP 1150N -3.32 0.30 -0.19 3.42 1.11 -1.08 -1.43 116.67 115.47 1xtb s ASP 1150Ca -0.04 -0.02 -0.01 0.00 0.18 0.00 0.00 52.55 52.66 1xtb s ASP 1150Cb 0.08 -0.12 0.01 0.00 1.07 0.00 0.00 42.92 43.96 1xtb s ASP 1150CO 0.52 -0.05 -0.14 -0.69 1.18 0.00 0.00 175.17 175.99 1xtb s VAL 1151N 0.56 2.64 -0.29 -1.27 1.01 0.49 -0.95 120.40 122.60 1xtb s VAL 1151Ca -0.05 -0.75 -0.03 0.00 0.00 0.00 0.00 61.98 61.14 1xtb s VAL 1151Cb -0.08 -2.15 0.03 0.00 0.00 0.00 0.00 36.38 34.18 1xtb s VAL 1151CO -0.01 0.49 0.01 -0.63 0.00 0.00 0.00 175.10 174.96 1xtb s ILE 1152N 1.27 3.23 -0.26 2.22 1.09 0.01 -0.33 121.20 128.44 1xtb s ILE 1152Ca 0.03 -1.12 -0.23 0.00 -1.10 0.00 0.00 60.65 58.24 1xtb s ILE 1152Cb -0.14 -2.76 -0.01 0.00 -1.06 0.00 0.00 42.46 38.50 1xtb s ILE 1152CO -0.07 0.01 0.74 0.21 -0.10 0.00 0.00 174.94 175.73 1xtb s ASN 1153N 1.34 6.69 -0.30 3.58 3.84 0.33 -0.42 114.94 130.01 1xtb s ASN 1153Ca -0.02 0.82 -0.06 0.00 0.21 0.00 0.00 52.86 53.81 1xtb s ASN 1153Cb -0.18 -2.39 0.02 0.00 -0.55 0.00 0.00 41.25 38.15 1xtb s ASN 1153CO -0.01 -0.48 0.06 -0.63 -2.79 0.00 0.00 177.10 173.26 1xtb s ILE 1154N 2.73 3.76 -0.01 -5.21 1.01 0.64 -0.55 121.20 123.58 1xtb s ILE 1154Ca 0.31 -0.83 -0.29 0.00 0.00 0.00 0.00 60.65 59.83 1xtb s ILE 1154Cb -0.15 -2.98 0.11 0.00 0.01 0.00 0.00 42.46 39.45 1xtb s ILE 1154CO 0.09 0.04 1.27 -0.83 0.00 0.00 0.00 174.94 175.51 1xtb s GLY 1155N 1.45 -0.33 0.04 6.18 0.00 -0.68 -0.74 107.32 113.25 1xtb s GLY 1155Ca 0.01 0.49 -0.01 0.00 0.00 0.00 0.00 44.72 45.22 1xtb s GLY 1155CO 0.02 1.45 -0.03 -1.50 0.00 0.00 0.00 173.10 173.04 1xtb s ILE 1156N -2.34 0.18 0.00 0.90 2.07 -1.26 -3.81 121.20 116.94 1xtb s ILE 1156Ca 0.18 -1.44 0.00 0.00 -1.41 0.00 0.00 60.65 57.97 1xtb s ILE 1156Cb 0.03 -1.01 0.00 0.00 0.13 0.00 0.00 42.46 41.61 1xtb s ILE 1156CO -0.03 -0.80 0.00 0.61 -1.91 0.00 0.00 174.94 172.82 1xtb n GLY 1157N 0.72 4.14 0.30 1.50 0.00 -1.26 -2.04 105.19 108.55 1xtb n GLY 1157Ca -0.18 0.08 0.14 0.00 0.00 0.00 0.00 46.02 46.06 1xtb n GLY 1157CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1xtb h GLY 1158N 0.00 0.00 -2.26 -0.02 0.00 -1.97 -0.10 103.07 98.72 1xtb h GLY 1158Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1xtb h GLY 1158CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 176.54 177.98 1xtb n SER 1159N -4.06 3.40 0.06 0.19 7.64 -0.86 -4.45 113.62 115.53 1xtb n SER 1159Ca -0.02 -2.38 0.00 0.00 1.01 0.00 0.00 58.87 57.48 1xtb n SER 1159Cb 0.15 -0.51 0.00 0.00 -1.01 0.00 0.00 64.21 62.84 1xtb n SER 1159CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1xtb n ASP 1160N 0.52 0.04 -0.30 6.43 2.03 -0.18 -4.23 116.55 120.86 1xtb n ASP 1160Ca 0.16 0.21 0.12 0.00 0.52 0.00 0.00 54.79 55.79 1xtb n ASP 1160Cb 0.68 0.13 0.29 0.00 -0.72 0.00 0.00 41.12 41.49 1xtb n ASP 1160CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1xtb h LEU 1161N 0.00 0.39 0.28 -2.67 3.38 -1.44 -2.00 115.31 113.25 1xtb h LEU 1161Ca 0.00 0.14 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 1xtb h LEU 1161Cb 0.00 0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 1xtb h LEU 1161CO 0.00 0.06 -0.17 1.23 0.09 0.00 0.00 178.44 179.65 1xtb h GLY 1162N 0.46 -0.63 1.08 0.83 0.00 -1.79 0.41 103.07 103.44 1xtb h GLY 1162Ca 0.53 0.26 0.09 0.00 0.00 0.00 0.00 47.33 48.21 1xtb h GLY 1162CO -0.48 -0.22 0.40 -0.56 0.00 0.00 0.00 176.54 175.67 1xtb h PRO 1163N -0.41 0.43 0.30 4.80 0.13 -1.84 -0.97 132.00 134.44 1xtb h PRO 1163Ca -0.04 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 65.05 1xtb h PRO 1163Cb 0.33 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 31.36 1xtb h PRO 1163CO 0.04 0.28 -0.14 1.25 -0.23 0.00 0.00 178.00 179.20 1xtb h LEU 1164N 0.44 -0.34 -0.43 1.56 5.85 -1.27 -0.17 115.31 120.95 1xtb h LEU 1164Ca 0.27 -0.14 0.03 0.00 0.84 0.00 0.00 57.88 58.88 1xtb h LEU 1164Cb 0.48 0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.56 1xtb h LEU 1164CO -0.08 -0.05 0.23 -0.03 -0.34 0.00 0.00 178.44 178.17 1xtb h MET 1165N -0.64 0.44 -0.40 1.25 4.05 -0.42 -1.72 114.93 117.49 1xtb h MET 1165Ca -0.04 -0.03 -0.14 0.00 -0.28 0.00 0.00 59.70 59.21 1xtb h MET 1165Cb 0.45 -0.10 -0.01 0.00 -0.80 0.00 0.00 31.60 31.15 1xtb h MET 1165CO 0.07 0.29 -0.32 0.28 0.23 0.00 0.00 176.91 177.46 1xtb h VAL 1166N 0.45 1.27 -0.20 -5.77 2.07 -1.20 -0.04 116.25 112.84 1xtb h VAL 1166Ca 0.18 -1.48 -0.08 0.00 0.82 0.00 0.00 66.70 66.15 1xtb h VAL 1166Cb 0.07 1.30 -0.01 0.00 -1.52 0.00 0.00 31.29 31.13 1xtb h VAL 1166CO -0.12 0.50 -0.21 0.71 0.02 0.00 0.00 177.57 178.46 1xtb h THR 1167N 0.75 1.24 -0.22 2.57 1.35 -0.83 -0.68 112.91 117.08 1xtb h THR 1167Ca 0.08 -1.10 -0.12 0.00 -0.55 0.00 0.00 66.41 64.71 1xtb h THR 1167Cb 0.88 1.33 -0.00 0.00 -1.73 0.00 0.00 68.15 68.63 1xtb h THR 1167CO 0.08 0.34 -0.35 -0.33 -0.25 0.00 0.00 175.52 175.02 1xtb h GLU 1168N 0.32 0.62 -0.02 4.72 4.39 -1.10 -2.96 114.58 120.55 1xtb h GLU 1168Ca 0.05 -0.38 -0.07 0.00 0.34 0.00 0.00 59.36 59.31 1xtb h GLU 1168Cb 0.56 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.24 1xtb h GLU 1168CO 0.04 0.99 -0.31 0.00 -1.16 0.00 0.00 179.01 178.56 1xtb h ALA 1169N 0.63 1.44 -0.53 3.43 0.00 -0.67 -3.18 119.26 120.38 1xtb h ALA 1169Ca 0.02 -0.30 -0.25 0.00 0.00 0.00 0.00 54.91 54.38 1xtb h ALA 1169Cb 0.94 -0.06 -0.15 0.00 0.00 0.00 0.00 17.79 18.52 1xtb h ALA 1169CO 0.08 0.41 0.13 1.28 0.00 0.00 0.00 179.25 181.16 1xtb n LEU 1170N -4.15 4.89 -0.31 0.00 4.77 -0.29 -4.74 117.00 117.16 1xtb n LEU 1170Ca -0.02 -3.63 0.10 0.00 -0.03 0.00 0.00 56.01 52.43 1xtb n LEU 1170Cb 0.37 -0.69 0.27 0.00 -2.33 0.00 0.00 43.42 41.04 1xtb n LEU 1170CO 0.38 1.13 1.10 0.11 -1.33 0.00 0.00 177.39 178.78 1xtb h LYS 1171N 1.18 0.55 -0.21 3.23 1.79 -1.50 -0.52 116.57 121.10 1xtb h LYS 1171Ca 0.31 -0.03 0.06 0.00 -2.18 0.00 0.00 60.65 58.81 1xtb h LYS 1171Cb 1.99 -0.12 -0.01 0.00 -1.58 0.00 0.00 32.23 32.51 1xtb h LYS 1171CO 0.58 0.37 0.35 -1.35 -1.08 0.00 0.00 179.45 178.31 1xtb h PRO 1172N 0.57 0.00 -0.58 3.15 0.11 -1.89 -0.29 132.00 133.07 1xtb h PRO 1172Ca 0.51 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 66.50 1xtb h PRO 1172Cb 0.84 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 31.87 1xtb h PRO 1172CO -0.42 0.00 0.14 0.66 -0.21 0.00 0.00 178.00 178.17 1xtb n TYR 1173N -3.41 1.98 -0.16 0.65 4.02 -0.20 -4.48 117.16 115.55 1xtb n TYR 1173Ca 0.03 -1.08 0.08 0.00 -0.01 0.00 0.00 57.90 56.91 1xtb n TYR 1173Cb 0.47 -0.57 0.20 0.00 -0.02 0.00 0.00 39.34 39.43 1xtb n TYR 1173CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 1xtb n SER 1174N -0.16 3.23 -4.68 7.72 3.41 -0.12 -4.32 113.62 118.70 1xtb n SER 1174Ca 0.34 -1.97 -0.46 0.00 -0.26 0.00 0.00 58.87 56.52 1xtb n SER 1174Cb 1.23 -0.30 -0.04 0.00 -0.26 0.00 0.00 64.21 64.84 1xtb n SER 1174CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1xtb n SER 1175N 0.96 3.40 0.00 4.04 3.41 -1.26 -2.51 113.62 121.65 1xtb n SER 1175Ca 0.16 1.03 0.00 0.00 -0.26 0.00 0.00 58.87 59.80 1xtb n SER 1175Cb 0.49 -1.43 0.00 0.00 -0.26 0.00 0.00 64.21 63.01 1xtb n SER 1175CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xtb n GLY 1176N 3.90 2.95 3.49 5.00 0.00 -1.26 -5.03 105.19 114.25 1xtb n GLY 1176Ca 0.19 -0.77 -0.33 0.00 0.00 0.00 0.00 46.02 45.10 1xtb n GLY 1176CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xtb n GLY 1177N 0.00 -1.44 3.72 -0.02 0.00 -1.04 -4.97 105.19 101.43 1xtb n GLY 1177Ca 0.00 -0.63 -0.29 0.00 0.00 0.00 0.00 46.02 45.10 1xtb n GLY 1177CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1xtb s PRO 1178N -3.63 1.02 0.34 1.61 0.02 -1.26 -4.98 135.00 128.11 1xtb s PRO 1178Ca 0.62 0.61 -0.28 0.00 0.02 0.00 0.00 61.00 61.97 1xtb s PRO 1178Cb -0.25 -1.80 -0.10 0.00 0.02 0.00 0.00 34.50 32.37 1xtb s PRO 1178CO 0.62 -2.35 1.23 1.03 -0.33 0.00 0.00 177.00 177.20 1xtb s ARG 1179N -5.02 4.34 -0.09 5.54 0.52 -0.51 -4.77 118.95 118.95 1xtb s ARG 1179Ca 0.64 2.03 0.02 0.00 -0.52 0.00 0.00 55.73 57.90 1xtb s ARG 1179Cb -0.17 -3.00 -0.02 0.00 0.52 0.00 0.00 34.95 32.28 1xtb s ARG 1179CO 0.56 -0.13 -0.16 0.08 0.02 0.00 0.00 175.30 175.66 1xtb s VAL 1180N -1.21 2.80 0.17 3.52 1.01 -1.26 -0.38 120.40 125.05 1xtb s VAL 1180Ca 0.50 -0.78 0.10 0.00 0.00 0.00 0.00 61.98 61.80 1xtb s VAL 1180Cb -0.36 -2.12 -0.04 0.00 0.00 0.00 0.00 36.38 33.86 1xtb s VAL 1180CO 0.47 0.55 -0.23 0.26 0.00 0.00 0.00 175.10 176.15 1xtb s TRP 1181N -0.03 2.13 -0.15 5.22 0.52 0.55 -4.97 118.94 122.22 1xtb s TRP 1181Ca -0.05 -0.39 -0.01 0.00 0.02 0.00 0.00 56.10 55.67 1xtb s TRP 1181Cb -0.14 -1.08 0.04 0.00 -1.15 0.00 0.00 33.47 31.14 1xtb s TRP 1181CO 0.04 0.41 -0.05 -0.06 0.02 0.00 0.00 176.95 177.31 1xtb s PHE 1182N -1.65 1.56 -0.13 -1.98 0.40 -1.26 -0.51 117.98 114.41 1xtb s PHE 1182Ca 0.17 -0.93 -0.02 0.00 -0.60 0.00 0.00 56.93 55.56 1xtb s PHE 1182Cb -0.08 -1.26 -0.03 0.00 0.51 0.00 0.00 43.02 42.17 1xtb s PHE 1182CO 0.08 -0.57 -0.06 0.08 0.70 0.00 0.00 175.22 175.45 1xtb s VAL 1183N 1.68 3.70 0.02 -0.44 1.01 0.29 -4.98 120.40 121.68 1xtb s VAL 1183Ca 0.02 -0.44 0.00 0.00 0.00 0.00 0.00 61.98 61.56 1xtb s VAL 1183Cb -0.14 -2.58 0.00 0.00 0.00 0.00 0.00 36.38 33.65 1xtb s VAL 1183CO -0.08 0.52 0.00 -1.54 0.00 0.00 0.00 175.10 174.01 1xtb n SER 1184N 3.23 -0.02 -4.75 3.32 3.41 -1.25 -1.68 113.62 115.89 1xtb n SER 1184Ca -0.18 0.03 -0.38 0.00 -0.26 0.00 0.00 58.87 58.09 1xtb n SER 1184Cb 0.53 0.05 0.04 0.00 -0.26 0.00 0.00 64.21 64.56 1xtb n SER 1184CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1xtb s ASN 1185N -4.89 5.24 0.30 4.04 3.84 -1.26 -4.66 114.94 117.56 1xtb s ASN 1185Ca 0.00 2.64 0.14 0.00 0.21 0.00 0.00 52.86 55.86 1xtb s ASN 1185Cb 0.00 -2.62 0.40 0.00 -0.55 0.00 0.00 41.25 38.48 1xtb s ASN 1185CO 0.00 -1.58 1.61 -0.29 -2.79 0.00 0.00 177.10 174.05 1xtb h ILE 1186N 1.27 1.14 -0.56 -5.21 6.09 -1.99 -3.44 117.51 114.81 1xtb h ILE 1186Ca -0.51 -2.01 -0.72 0.00 -1.37 0.00 0.00 64.86 60.26 1xtb h ILE 1186Cb 1.30 2.16 -0.03 0.00 0.47 0.00 0.00 36.82 40.73 1xtb h ILE 1186CO 0.57 0.52 1.37 -0.67 -3.07 0.00 0.00 178.15 176.87 1xtb n ASP 1187N -3.55 1.46 0.11 2.19 4.64 -1.26 -4.73 116.55 115.41 1xtb n ASP 1187Ca -0.00 0.55 0.16 0.00 -1.38 0.00 0.00 54.79 54.12 1xtb n ASP 1187Cb 0.62 -1.08 0.45 0.00 -1.04 0.00 0.00 41.12 40.06 1xtb n ASP 1187CO 0.00 0.00 0.00 1.23 -0.82 0.00 0.00 177.20 177.61 1xtb h GLY 1188N 10.70 0.00 0.93 0.27 0.00 -2.02 -0.31 103.07 112.63 1xtb h GLY 1188Ca -0.19 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.16 1xtb h GLY 1188CO 1.05 0.00 0.42 -0.84 0.00 0.00 0.00 176.54 177.17 1xtb h THR 1189N 0.00 1.12 -0.11 4.70 2.02 -1.93 -1.54 112.91 117.17 1xtb h THR 1189Ca 0.20 -0.29 0.03 0.00 0.77 0.00 0.00 66.41 67.12 1xtb h THR 1189Cb 1.87 0.21 -0.04 0.00 -1.74 0.00 0.00 68.15 68.45 1xtb h THR 1189CO -0.00 0.15 -0.10 -0.74 0.37 0.00 0.00 175.52 175.20 1xtb h HIS 1190N 0.84 -0.25 0.00 3.16 2.76 -1.35 -1.71 115.15 118.60 1xtb h HIS 1190Ca 0.25 0.02 -0.17 0.00 -2.20 0.00 0.00 60.37 58.27 1xtb h HIS 1190Cb -0.03 0.13 -0.02 0.00 1.55 0.00 0.00 27.41 29.03 1xtb h HIS 1190CO -0.04 -0.15 -0.83 0.97 -1.30 0.00 0.00 177.93 176.58 1xtb h ILE 1191N -0.12 1.44 -0.00 6.26 2.10 -1.72 -3.15 117.51 122.32 1xtb h ILE 1191Ca 0.08 -2.99 -0.00 0.00 1.08 0.00 0.00 64.86 63.02 1xtb h ILE 1191Cb 0.23 2.69 -0.00 0.00 -1.09 0.00 0.00 36.82 38.65 1xtb h ILE 1191CO -0.18 0.81 0.00 0.00 -1.08 0.00 0.00 178.15 177.70 1xtb h ALA 1192N 1.17 0.00 0.00 0.18 0.00 -1.09 -0.93 119.26 118.60 1xtb h ALA 1192Ca -0.01 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 1xtb h ALA 1192Cb 1.62 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.41 1xtb h ALA 1192CO 0.11 -0.39 -0.12 0.87 0.00 0.00 0.00 179.25 179.71 1xtb h LYS 1193N -0.21 0.00 0.01 0.00 1.79 -1.43 -2.37 116.57 114.37 1xtb h LYS 1193Ca 0.00 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1xtb h LYS 1193Cb 0.21 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.86 1xtb h LYS 1193CO -0.00 0.12 -0.00 1.15 -1.08 0.00 0.00 179.45 179.64 1xtb h THR 1194N 0.00 1.55 -0.02 -0.16 2.02 -1.47 -3.30 112.91 111.53 1xtb h THR 1194Ca -0.00 -2.03 0.00 0.00 0.77 0.00 0.00 66.41 65.15 1xtb h THR 1194Cb 0.56 2.86 -0.00 0.00 -1.74 0.00 0.00 68.15 69.83 1xtb h THR 1194CO 0.02 0.50 0.01 -0.07 0.37 0.00 0.00 175.52 176.35 1xtb h LEU 1195N -0.93 0.00 -2.13 2.58 3.38 -1.12 -1.41 115.31 115.68 1xtb h LEU 1195Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1xtb h LEU 1195Cb 0.83 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.58 1xtb h LEU 1195CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.53 1xtb h ALA 1196N 1.99 1.00 -0.49 1.53 0.00 -1.50 -2.49 119.26 119.30 1xtb h ALA 1196Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1xtb h ALA 1196Cb 0.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1xtb h ALA 1196CO -0.00 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.25 1xtb s LEU 1198N -1.77 2.53 -0.25 0.00 1.43 -0.94 -5.12 118.68 114.56 1xtb s LEU 1198Ca 0.41 -0.97 -0.03 0.00 -1.03 0.00 0.00 54.13 52.52 1xtb s LEU 1198Cb 0.27 -1.00 0.02 0.00 0.03 0.00 0.00 46.19 45.51 1xtb s LEU 1198CO 0.19 0.01 -0.03 0.21 0.23 0.00 0.00 176.35 176.97 1xtb s ASN 1199N -3.16 4.47 0.55 2.29 3.84 -1.26 -4.99 114.94 116.68 1xtb s ASN 1199Ca 0.24 -0.76 0.31 0.00 0.21 0.00 0.00 52.86 52.87 1xtb s ASN 1199Cb -0.05 -1.72 1.47 0.00 -0.55 0.00 0.00 41.25 40.40 1xtb s ASN 1199CO 0.11 -0.12 1.88 1.55 -2.79 0.00 0.00 177.10 177.73 1xtb h PRO 1200N 8.07 0.00 -0.06 0.43 0.13 -1.95 -0.98 132.00 137.65 1xtb h PRO 1200Ca -0.34 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.74 1xtb h PRO 1200Cb 1.12 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.24 1xtb h PRO 1200CO 0.59 0.00 -0.22 0.93 -0.23 0.00 0.00 178.00 179.07 1xtb h GLU 1201N 0.00 0.10 0.00 0.86 5.08 -1.97 -3.18 114.58 115.47 1xtb h GLU 1201Ca 0.39 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.72 1xtb h GLU 1201Cb 1.64 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.88 1xtb h GLU 1201CO -0.00 0.32 -0.17 -1.13 -1.00 0.00 0.00 179.01 177.02 1xtb n SER 1202N -4.24 2.08 -4.62 1.42 3.41 -0.41 -4.33 113.62 106.94 1xtb n SER 1202Ca -0.02 -3.28 -0.34 0.00 -0.26 0.00 0.00 58.87 54.97 1xtb n SER 1202Cb 0.30 -0.45 -0.10 0.00 -0.26 0.00 0.00 64.21 63.70 1xtb n SER 1202CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1xtb s SER 1203N -2.92 5.12 -0.22 4.04 0.01 -0.98 -1.79 113.70 116.97 1xtb s SER 1203Ca 0.33 0.05 0.02 0.00 1.31 0.00 0.00 55.95 57.66 1xtb s SER 1203Cb 0.30 -1.59 0.04 0.00 0.21 0.00 0.00 66.02 64.98 1xtb s SER 1203CO -0.00 0.30 -0.14 -0.22 0.41 0.00 0.00 173.24 173.59 1xtb s LEU 1204N -0.39 2.67 -0.02 2.44 1.98 -0.12 -4.76 118.68 120.48 1xtb s LEU 1204Ca 0.07 -1.00 -0.14 0.00 -2.89 0.00 0.00 54.13 50.17 1xtb s LEU 1204Cb -0.12 -1.44 -0.05 0.00 0.66 0.00 0.00 46.19 45.24 1xtb s LEU 1204CO 0.02 -0.11 0.38 -0.36 -1.89 0.00 0.00 176.35 174.39 1xtb s PHE 1205N 1.25 3.69 -0.26 5.38 0.40 0.11 -0.81 117.98 127.75 1xtb s PHE 1205Ca -0.02 0.93 0.01 0.00 -0.60 0.00 0.00 56.93 57.25 1xtb s PHE 1205Cb -0.17 -2.28 0.05 0.00 0.51 0.00 0.00 43.02 41.13 1xtb s PHE 1205CO -0.09 0.61 -0.09 0.42 0.70 0.00 0.00 175.22 176.77 1xtb s ILE 1206N -0.90 2.46 -0.54 0.64 1.01 0.45 -1.59 121.20 122.72 1xtb s ILE 1206Ca 0.23 -1.37 -0.21 0.00 0.00 0.00 0.00 60.65 59.30 1xtb s ILE 1206Cb -0.16 -2.35 0.06 0.00 0.01 0.00 0.00 42.46 40.02 1xtb s ILE 1206CO 0.12 0.08 0.75 -0.63 0.00 0.00 0.00 174.94 175.25 1xtb s ILE 1207N 1.20 4.69 -0.41 2.92 -1.09 -0.12 -0.26 121.20 128.13 1xtb s ILE 1207Ca -0.05 -0.33 -0.17 0.00 -2.23 0.00 0.00 60.65 57.88 1xtb s ILE 1207Cb -0.18 -4.42 0.02 0.00 -1.58 0.00 0.00 42.46 36.30 1xtb s ILE 1207CO -0.05 -0.98 0.40 0.00 -1.23 0.00 0.00 174.94 173.07 1xtb s ALA 1208N 3.12 3.44 -0.30 9.38 0.00 0.08 -1.18 121.76 136.30 1xtb s ALA 1208Ca 0.19 -1.55 -0.07 0.00 0.00 0.00 0.00 51.96 50.53 1xtb s ALA 1208Cb -0.18 -3.00 0.17 0.00 0.00 0.00 0.00 23.12 20.11 1xtb s ALA 1208CO 0.13 -1.52 0.72 0.45 0.00 0.00 0.00 175.76 175.53 1xtb s SER 1209N 1.77 -1.11 0.14 0.00 0.15 -0.27 -4.37 113.70 110.01 1xtb s SER 1209Ca 0.10 1.01 -0.20 0.00 0.70 0.00 0.00 55.95 57.55 1xtb s SER 1209Cb -0.18 2.05 0.00 0.00 -1.71 0.00 0.00 66.02 66.19 1xtb s SER 1209CO 0.13 -0.21 1.68 0.50 1.20 0.00 0.00 173.24 176.54 1xtb h LYS 1210N 7.94 -0.08 0.06 5.44 3.64 -1.94 -2.93 116.57 128.70 1xtb h LYS 1210Ca -0.19 0.01 -0.27 0.00 -1.27 0.00 0.00 60.65 58.92 1xtb h LYS 1210Cb 1.14 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.96 1xtb h LYS 1210CO 0.15 -0.06 -1.40 1.79 -2.27 0.00 0.00 179.45 177.66 1xtb h THR 1211N -0.09 1.27 -1.16 1.00 1.35 -1.96 -2.45 112.91 110.88 1xtb h THR 1211Ca 0.12 -2.97 -0.24 0.00 -0.55 0.00 0.00 66.41 62.77 1xtb h THR 1211Cb 0.26 2.73 -0.05 0.00 -1.73 0.00 0.00 68.15 69.35 1xtb h THR 1211CO -0.27 0.80 -0.27 0.33 -0.25 0.00 0.00 175.52 175.87 1xtb n PHE 1212N -3.35 -0.29 -0.25 4.73 7.35 -1.11 -4.57 117.46 119.98 1xtb n PHE 1212Ca -0.12 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.57 1xtb n PHE 1212Cb 1.01 -2.47 0.00 0.00 0.35 0.00 0.00 39.48 38.38 1xtb n PHE 1212CO 0.00 0.00 0.00 0.25 -0.76 0.00 0.00 176.76 176.25 1xtb n THR 1213N -3.35 0.00 -1.68 -2.13 -2.24 -1.26 -4.91 114.28 98.70 1xtb n THR 1213Ca -0.13 -0.26 -0.45 0.00 -2.27 0.00 0.00 64.05 60.94 1xtb n THR 1213Cb 0.50 1.25 -0.04 0.00 -2.10 0.00 0.00 70.33 69.94 1xtb n THR 1213CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1xtb n THR 1214N -0.25 0.39 -0.14 4.28 -1.04 -1.26 -4.87 114.28 111.38 1xtb n THR 1214Ca 0.00 -0.07 -0.03 0.00 -2.04 0.00 0.00 64.05 61.91 1xtb n THR 1214Cb 0.06 -1.92 0.05 0.00 -1.82 0.00 0.00 70.33 66.70 1xtb n THR 1214CO 0.00 0.00 0.00 -0.61 -0.64 0.00 0.00 175.07 173.82 1xtb h GLN 1215N 8.35 0.10 0.09 -2.82 4.15 -1.98 -1.00 115.11 121.99 1xtb h GLN 1215Ca -0.47 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 58.94 1xtb h GLN 1215Cb 1.25 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.91 1xtb h GLN 1215CO 0.93 0.07 -0.07 0.93 -1.93 0.00 0.00 178.83 178.75 1xtb h GLU 1216N 0.10 -0.17 -0.08 1.69 3.07 -1.93 -0.49 114.58 116.78 1xtb h GLU 1216Ca 0.23 0.01 -0.00 0.00 -0.50 0.00 0.00 59.36 59.10 1xtb h GLU 1216Cb 0.34 0.04 -0.00 0.00 -0.84 0.00 0.00 28.75 28.29 1xtb h GLU 1216CO -0.39 -0.11 0.04 1.15 -1.40 0.00 0.00 179.01 178.29 1xtb h THR 1217N -0.17 1.13 -0.75 1.13 2.02 -1.80 -0.57 112.91 113.90 1xtb h THR 1217Ca 0.00 -0.39 -0.05 0.00 0.77 0.00 0.00 66.41 66.74 1xtb h THR 1217Cb 0.16 1.24 -0.03 0.00 -1.74 0.00 0.00 68.15 67.78 1xtb h THR 1217CO -0.01 0.11 0.29 0.40 0.37 0.00 0.00 175.52 176.68 1xtb h ILE 1218N -0.01 1.25 -0.38 3.11 1.08 -1.17 0.14 117.51 121.53 1xtb h ILE 1218Ca 0.03 -0.81 -0.07 0.00 -0.39 0.00 0.00 64.86 63.61 1xtb h ILE 1218Cb 0.15 0.37 -0.01 0.00 -3.07 0.00 0.00 36.82 34.26 1xtb h ILE 1218CO -0.00 0.33 -0.04 0.74 -0.69 0.00 0.00 178.15 178.48 1xtb h THR 1219N 1.09 1.27 -0.60 -0.27 2.02 -0.97 0.06 112.91 115.51 1xtb h THR 1219Ca 0.25 -1.08 -0.04 0.00 0.77 0.00 0.00 66.41 66.31 1xtb h THR 1219Cb 0.22 1.20 -0.03 0.00 -1.74 0.00 0.00 68.15 67.80 1xtb h THR 1219CO -0.02 0.36 0.23 0.78 0.37 0.00 0.00 175.52 177.25 1xtb h ASN 1220N 0.52 0.83 -0.11 4.18 2.35 -0.83 -1.29 115.58 121.23 1xtb h ASN 1220Ca 0.10 -0.17 0.02 0.00 -0.55 0.00 0.00 56.30 55.70 1xtb h ASN 1220Cb 0.53 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.67 1xtb h ASN 1220CO 0.03 0.78 0.00 0.00 -1.65 0.00 0.00 177.43 176.59 1xtb h ALA 1221N 1.08 0.09 -0.56 -0.83 0.00 -0.47 -0.74 119.26 117.84 1xtb h ALA 1221Ca 0.20 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 1xtb h ALA 1221Cb 0.21 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 1xtb h ALA 1221CO -0.02 -0.46 0.27 0.87 0.00 0.00 0.00 179.25 179.92 1xtb h LYS 1222N 0.04 0.78 -0.43 0.00 1.57 -0.78 -0.21 116.57 117.54 1xtb h LYS 1222Ca 0.05 -0.09 -0.11 0.00 -1.87 0.00 0.00 60.65 58.62 1xtb h LYS 1222Cb 0.06 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.20 1xtb h LYS 1222CO -0.08 0.60 -0.19 1.15 -0.57 0.00 0.00 179.45 180.36 1xtb h THR 1223N 0.78 1.27 -0.33 -0.16 2.02 -0.75 -1.17 112.91 114.57 1xtb h THR 1223Ca 0.20 -1.31 -0.10 0.00 0.77 0.00 0.00 66.41 65.96 1xtb h THR 1223Cb 0.08 1.14 -0.01 0.00 -1.74 0.00 0.00 68.15 67.63 1xtb h THR 1223CO -0.03 0.44 -0.19 0.00 0.37 0.00 0.00 175.52 176.12 1xtb h ALA 1224N 1.05 0.47 -0.59 6.16 0.00 -0.54 -1.59 119.26 124.22 1xtb h ALA 1224Ca 0.11 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 1xtb h ALA 1224Cb 0.71 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 1xtb h ALA 1224CO 0.05 0.41 0.34 -0.22 0.00 0.00 0.00 179.25 179.83 1xtb h LYS 1225N 0.48 0.82 -0.21 0.00 3.64 -0.89 0.14 116.57 120.55 1xtb h LYS 1225Ca 0.07 -0.09 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 1xtb h LYS 1225Cb 0.73 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.38 1xtb h LYS 1225CO 0.05 0.61 0.10 -0.44 -2.27 0.00 0.00 179.45 177.51 1xtb h ASP 1226N 0.80 0.28 -0.48 4.20 3.32 -1.14 0.92 116.42 124.32 1xtb h ASP 1226Ca 0.21 -0.12 0.07 0.00 0.02 0.00 0.00 57.03 57.22 1xtb h ASP 1226Cb 0.02 -0.07 -0.06 0.00 0.22 0.00 0.00 39.33 39.44 1xtb h ASP 1226CO -0.04 0.32 0.13 -0.25 -1.72 0.00 0.00 179.24 177.68 1xtb h TRP 1227N 0.22 0.22 0.48 4.55 7.01 -0.90 -0.60 115.95 126.92 1xtb h TRP 1227Ca 0.07 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 61.08 1xtb h TRP 1227Cb 0.11 -0.02 0.00 0.00 -2.10 0.00 0.00 29.16 27.15 1xtb h TRP 1227CO -0.03 0.04 -0.23 0.35 -2.79 0.00 0.00 178.44 175.78 1xtb h PHE 1228N 0.28 -0.60 0.00 2.65 3.57 -0.36 -2.78 116.94 119.70 1xtb h PHE 1228Ca 0.24 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.72 1xtb h PHE 1228Cb 0.29 0.20 0.00 0.00 2.79 0.00 0.00 35.95 39.22 1xtb h PHE 1228CO -0.20 -0.33 0.00 -0.07 -2.23 0.00 0.00 178.31 175.49 1xtb h LEU 1229N -0.75 0.00 -1.15 0.59 3.38 -0.60 -1.73 115.31 115.05 1xtb h LEU 1229Ca -0.07 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.92 1xtb h LEU 1229Cb 0.54 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.25 1xtb h LEU 1229CO 0.11 0.00 0.58 0.25 0.09 0.00 0.00 178.44 179.47 1xtb h LEU 1230N 0.00 0.99 0.00 1.67 5.85 -0.81 -1.25 115.31 121.76 1xtb h LEU 1230Ca 0.00 -0.02 -0.26 0.00 0.84 0.00 0.00 57.88 58.43 1xtb h LEU 1230Cb 0.07 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 40.82 1xtb h LEU 1230CO 0.00 0.70 -1.59 -1.20 -0.34 0.00 0.00 178.44 176.02 1xtb n SER 1231N -4.41 1.89 0.00 1.25 7.64 -0.74 -4.71 113.62 114.54 1xtb n SER 1231Ca 0.10 0.41 0.00 0.00 1.01 0.00 0.00 58.87 60.40 1xtb n SER 1231Cb 0.04 -0.89 0.00 0.00 -1.01 0.00 0.00 64.21 62.36 1xtb n SER 1231CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1xtb n ALA 1232N -3.81 -0.20 0.00 -0.43 0.00 -0.73 -4.97 120.51 110.37 1xtb n ALA 1232Ca -0.35 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.09 1xtb n ALA 1232Cb 0.69 0.06 0.00 0.00 0.00 0.00 0.00 19.45 20.20 1xtb n ALA 1232CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1xtb n LYS 1233N -1.32 0.00 -3.61 0.00 3.00 -0.47 -5.04 118.16 110.71 1xtb n LYS 1233Ca 0.00 0.00 -0.37 0.00 -0.00 0.00 0.00 58.31 57.94 1xtb n LYS 1233Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 35.03 34.97 1xtb n LYS 1233CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 1xtb s ASP 1234N 0.00 6.59 0.23 3.14 3.68 -1.26 -4.93 116.67 124.13 1xtb s ASP 1234Ca 0.00 0.70 0.14 0.00 2.13 0.00 0.00 52.55 55.52 1xtb s ASP 1234Cb 0.00 -2.18 0.78 0.00 -1.45 0.00 0.00 42.92 40.07 1xtb s ASP 1234CO 0.00 0.28 1.42 -2.65 0.13 0.00 0.00 175.17 174.35 1xtb n PRO 1235N 2.38 0.09 0.21 4.34 -0.01 -1.26 -2.34 135.00 138.41 1xtb n PRO 1235Ca -0.15 0.58 0.10 0.00 -0.01 0.00 0.00 63.50 64.02 1xtb n PRO 1235Cb 0.53 -1.86 0.35 0.00 -0.01 0.00 0.00 33.50 32.50 1xtb n PRO 1235CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 175.50 176.15 1xtb h SER 1236N 0.00 0.00 1.61 2.55 4.64 -1.99 -3.20 113.55 117.16 1xtb h SER 1236Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1xtb h SER 1236Cb 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 1xtb h SER 1236CO 0.00 0.21 0.00 0.71 -0.87 0.00 0.00 176.83 176.88 1xtb h THR 1237N 0.00 0.00 -0.75 2.95 1.35 -1.88 -3.29 112.91 111.29 1xtb h THR 1237Ca -0.00 -0.67 0.09 0.00 -0.55 0.00 0.00 66.41 65.28 1xtb h THR 1237Cb 0.90 1.65 -0.05 0.00 -1.73 0.00 0.00 68.15 68.92 1xtb h THR 1237CO 0.03 0.00 0.49 0.58 -0.25 0.00 0.00 175.52 176.37 1xtb h VAL 1238N 0.00 0.95 0.00 6.82 2.07 -1.76 -1.19 116.25 123.15 1xtb h VAL 1238Ca 0.00 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.29 1xtb h VAL 1238Cb 0.80 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 30.79 1xtb h VAL 1238CO 0.00 0.12 0.00 0.00 0.02 0.00 0.00 177.57 177.71 1xtb h ALA 1239N 1.62 1.00 0.00 1.67 0.00 -1.81 -0.26 119.26 121.48 1xtb h ALA 1239Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.25 1xtb h ALA 1239Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1xtb h ALA 1239CO -0.12 0.00 -1.08 1.63 0.00 0.00 0.00 179.25 179.68 1xtb n LYS 1240N -2.76 0.05 0.00 0.00 5.02 -0.45 -4.50 118.16 115.52 1xtb n LYS 1240Ca -0.02 -0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.26 1xtb n LYS 1240Cb 0.09 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.60 1xtb n LYS 1240CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1xtb n HIS 1241N -1.56 0.00 -4.14 2.13 8.25 -0.52 -4.80 115.22 114.58 1xtb n HIS 1241Ca 0.03 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.30 1xtb n HIS 1241Cb 0.35 0.00 -0.16 0.00 1.12 0.00 0.00 29.99 31.30 1xtb n HIS 1241CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1xtb s PHE 1242N -0.24 0.70 0.23 4.41 0.40 -0.22 0.04 117.98 123.30 1xtb s PHE 1242Ca 0.00 -0.18 0.04 0.00 -0.60 0.00 0.00 56.93 56.19 1xtb s PHE 1242Cb 0.00 -0.64 -0.05 0.00 0.51 0.00 0.00 43.02 42.84 1xtb s PHE 1242CO 0.00 -0.18 -0.03 0.14 0.70 0.00 0.00 175.22 175.84 1xtb s VAL 1243N 0.93 1.21 0.00 -0.44 -7.23 -0.62 -4.73 120.40 109.52 1xtb s VAL 1243Ca -0.11 -2.06 0.02 0.00 -1.81 0.00 0.00 61.98 58.02 1xtb s VAL 1243Cb -0.14 -2.30 -0.01 0.00 0.56 0.00 0.00 36.38 34.49 1xtb s VAL 1243CO -0.00 -0.38 -0.07 0.00 -0.31 0.00 0.00 175.10 174.35 1xtb s ALA 1244N -3.30 0.54 -0.47 1.32 0.00 -0.38 -0.94 121.76 118.53 1xtb s ALA 1244Ca 0.27 -0.33 -0.05 0.00 0.00 0.00 0.00 51.96 51.85 1xtb s ALA 1244Cb 0.05 -0.12 0.12 0.00 0.00 0.00 0.00 23.12 23.17 1xtb s ALA 1244CO 0.08 0.12 0.29 -0.51 0.00 0.00 0.00 175.76 175.74 1xtb s LEU 1245N -0.30 5.43 0.00 0.00 1.43 -0.32 -0.03 118.68 124.88 1xtb s LEU 1245Ca 0.01 -2.13 -0.07 0.00 -1.03 0.00 0.00 54.13 50.92 1xtb s LEU 1245Cb -0.03 -1.90 0.03 0.00 0.03 0.00 0.00 46.19 44.32 1xtb s LEU 1245CO -0.00 -0.57 0.43 -0.24 0.23 0.00 0.00 176.35 176.21 1xtb n SER 1246N 4.52 -1.25 0.00 2.29 2.88 -0.96 -1.11 113.62 119.99 1xtb n SER 1246Ca -0.02 -2.02 0.00 0.00 -1.33 0.00 0.00 58.87 55.50 1xtb n SER 1246Cb 0.41 2.13 0.00 0.00 -0.75 0.00 0.00 64.21 66.00 1xtb n SER 1246CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1xtb n THR 1247N -0.33 0.00 -3.21 2.46 -2.24 -0.92 -3.02 114.28 107.02 1xtb n THR 1247Ca -0.04 -0.44 -0.45 0.00 -2.27 0.00 0.00 64.05 60.85 1xtb n THR 1247Cb 0.36 1.00 -0.01 0.00 -2.10 0.00 0.00 70.33 69.58 1xtb n THR 1247CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1xtb s ASN 1248N -0.86 6.96 0.18 3.42 3.84 -1.23 -4.90 114.94 122.34 1xtb s ASN 1248Ca 0.00 -2.91 -0.13 0.00 0.21 0.00 0.00 52.86 50.03 1xtb s ASN 1248Cb 0.00 -2.27 0.10 0.00 -0.55 0.00 0.00 41.25 38.53 1xtb s ASN 1248CO 0.00 -0.59 1.83 0.74 -2.79 0.00 0.00 177.10 176.28 1xtb h THR 1249N 4.60 1.08 -0.34 -5.21 2.02 -1.95 -1.87 112.91 111.24 1xtb h THR 1249Ca 0.17 -0.23 0.04 0.00 0.77 0.00 0.00 66.41 67.16 1xtb h THR 1249Cb 0.96 0.34 -0.04 0.00 -1.74 0.00 0.00 68.15 67.68 1xtb h THR 1249CO 0.96 0.12 0.11 0.00 0.37 0.00 0.00 175.52 177.09 1xtb h ALA 1250N 1.23 0.39 -0.40 6.16 0.00 -2.00 -1.47 119.26 123.18 1xtb h ALA 1250Ca 0.22 0.04 -0.11 0.00 0.00 0.00 0.00 54.91 55.06 1xtb h ALA 1250Cb -0.01 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1xtb h ALA 1250CO -0.08 -0.28 -0.17 0.87 0.00 0.00 0.00 179.25 179.58 1xtb h LYS 1251N 0.25 0.83 -0.66 0.00 1.79 -1.90 -0.38 116.57 116.51 1xtb h LYS 1251Ca 0.16 -0.35 0.06 0.00 -2.18 0.00 0.00 60.65 58.33 1xtb h LYS 1251Cb 0.14 -0.03 -0.06 0.00 -1.58 0.00 0.00 32.23 30.70 1xtb h LYS 1251CO -0.17 0.98 0.36 0.28 -1.08 0.00 0.00 179.45 179.83 1xtb h VAL 1252N 0.64 0.95 -0.41 0.50 2.07 -1.10 0.14 116.25 119.04 1xtb h VAL 1252Ca 0.09 -0.23 -0.07 0.00 0.82 0.00 0.00 66.70 67.31 1xtb h VAL 1252Cb 0.72 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 1xtb h VAL 1252CO 0.05 0.12 -0.02 0.11 0.02 0.00 0.00 177.57 177.85 1xtb h LYS 1253N 0.66 0.74 -0.58 1.57 1.57 -1.14 -2.59 116.57 116.80 1xtb h LYS 1253Ca 0.30 -0.25 0.09 0.00 -1.87 0.00 0.00 60.65 58.92 1xtb h LYS 1253Cb 0.20 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.41 1xtb h LYS 1253CO -0.19 0.83 0.39 1.49 -0.57 0.00 0.00 179.45 181.40 1xtb h GLU 1254N 0.57 0.39 -0.06 3.15 4.81 0.22 -1.41 114.58 122.24 1xtb h GLU 1254Ca 0.11 -0.02 -0.12 0.00 -0.13 0.00 0.00 59.36 59.20 1xtb h GLU 1254Cb 0.52 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.80 1xtb h GLU 1254CO 0.03 0.26 -0.51 0.35 -0.73 0.00 0.00 179.01 178.40 1xtb h PHE 1255N 0.40 0.21 0.00 0.92 3.57 -0.44 -3.47 116.94 118.13 1xtb h PHE 1255Ca 0.26 -0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.70 1xtb h PHE 1255Cb 0.51 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.21 1xtb h PHE 1255CO -0.00 0.65 0.00 0.41 -2.23 0.00 0.00 178.31 177.14 1xtb n GLY 1256N 0.02 0.52 3.71 2.40 0.00 -0.53 -5.11 105.19 106.21 1xtb n GLY 1256Ca -0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 1xtb n GLY 1256CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xtb s ILE 1257N -1.45 5.36 0.34 -0.61 1.01 -1.01 -4.66 121.20 120.18 1xtb s ILE 1257Ca 0.00 0.32 -0.12 0.00 0.00 0.00 0.00 60.65 60.85 1xtb s ILE 1257Cb 0.00 -3.54 -0.08 0.00 0.01 0.00 0.00 42.46 38.85 1xtb s ILE 1257CO 0.00 0.39 0.71 1.51 0.00 0.00 0.00 174.94 177.55 1xtb s ASP 1258N 0.60 6.64 1.24 3.58 1.47 -1.26 -3.35 116.67 125.60 1xtb s ASP 1258Ca 0.11 1.15 -0.16 0.00 1.18 0.00 0.00 52.55 54.82 1xtb s ASP 1258Cb -0.12 -2.32 0.28 0.00 -0.34 0.00 0.00 42.92 40.42 1xtb s ASP 1258CO 0.02 -0.26 0.78 -2.65 0.68 0.00 0.00 175.17 173.74 1xtb n PRO 1259N -0.71 -2.93 0.00 2.11 -0.01 -1.26 -2.54 135.00 129.67 1xtb n PRO 1259Ca 0.02 -0.84 0.00 0.00 -0.01 0.00 0.00 63.50 62.67 1xtb n PRO 1259Cb 0.53 -2.00 0.00 0.00 -0.01 0.00 0.00 33.50 32.02 1xtb n PRO 1259CO 0.00 0.00 0.00 0.94 -0.01 0.00 0.00 175.50 176.43 1xtb n GLN 1260N -4.58 0.00 -0.00 -0.52 0.00 -1.26 -4.56 117.38 106.46 1xtb n GLN 1260Ca 0.04 0.00 0.04 0.00 -0.00 0.00 0.00 57.00 57.08 1xtb n GLN 1260Cb 0.56 -1.50 0.03 0.00 0.00 0.00 0.00 30.24 29.33 1xtb n GLN 1260CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 1xtb n ASN 1261N 0.00 1.66 -4.30 1.69 4.13 -1.05 -4.91 115.26 112.47 1xtb n ASN 1261Ca 0.00 -1.34 -0.36 0.00 1.68 0.00 0.00 54.58 54.56 1xtb n ASN 1261Cb 0.00 -0.01 -0.13 0.00 -1.54 0.00 0.00 39.78 38.10 1xtb n ASN 1261CO 0.00 0.00 0.00 -0.32 0.28 0.00 0.00 177.26 177.22 1xtb s MET 1262N -0.64 3.11 -0.39 3.52 1.75 -1.26 -1.25 119.30 124.15 1xtb s MET 1262Ca 0.09 -0.82 -0.16 0.00 -1.25 0.00 0.00 55.69 53.55 1xtb s MET 1262Cb 0.06 -3.18 0.01 0.00 2.84 0.00 0.00 34.83 34.56 1xtb s MET 1262CO 0.09 -0.36 0.35 -0.06 -0.65 0.00 0.00 175.02 174.39 1xtb s PHE 1263N 1.45 3.21 0.35 4.11 0.40 0.96 -4.98 117.98 123.47 1xtb s PHE 1263Ca 0.03 -0.34 0.01 0.00 -0.60 0.00 0.00 56.93 56.03 1xtb s PHE 1263Cb -0.16 -2.69 -0.03 0.00 0.51 0.00 0.00 43.02 40.64 1xtb s PHE 1263CO -0.01 -0.56 0.54 -1.83 0.70 0.00 0.00 175.22 174.07 1xtb s GLU 1264N 1.92 3.46 0.00 0.44 -1.05 -1.25 -2.26 118.70 119.96 1xtb s GLU 1264Ca 0.09 -0.37 0.00 0.00 -0.15 0.00 0.00 54.97 54.54 1xtb s GLU 1264Cb -0.18 -2.67 0.00 0.00 -0.44 0.00 0.00 34.13 30.84 1xtb s GLU 1264CO 0.12 0.14 0.00 1.97 0.95 0.00 0.00 175.26 178.44 1xtb n PHE 1265N -1.78 0.00 -4.34 4.83 1.16 -1.17 -4.56 117.46 111.60 1xtb n PHE 1265Ca -0.05 0.00 -0.17 0.00 -1.87 0.00 0.00 57.45 55.36 1xtb n PHE 1265Cb 0.56 0.00 -0.10 0.00 -1.61 0.00 0.00 39.48 38.33 1xtb n PHE 1265CO 0.00 0.00 0.00 -1.58 -1.87 0.00 0.00 176.76 173.31 1xtb s TRP 1266N -1.42 1.59 0.63 2.97 0.51 -1.26 -4.64 118.94 117.32 1xtb s TRP 1266Ca 0.00 -0.94 0.35 0.00 -2.12 0.00 0.00 56.10 53.39 1xtb s TRP 1266Cb 0.00 -0.93 2.03 0.00 -0.81 0.00 0.00 33.47 33.76 1xtb s TRP 1266CO 0.00 -0.05 2.26 0.38 -0.51 0.00 0.00 176.95 179.03 1xtb h ASP 1267N 2.44 0.00 -0.04 2.95 3.04 -1.99 -0.19 116.42 122.63 1xtb h ASP 1267Ca -0.38 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.41 1xtb h ASP 1267Cb 1.23 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.52 1xtb h ASP 1267CO 0.65 0.00 0.00 -2.67 -2.04 0.00 0.00 179.24 175.18 1xtb n TRP 1268N -3.49 0.06 -3.52 4.15 4.27 -1.26 -4.53 117.44 113.10 1xtb n TRP 1268Ca -0.02 -0.03 -0.41 0.00 -3.89 0.00 0.00 57.50 53.14 1xtb n TRP 1268Cb 0.13 0.00 -0.08 0.00 -1.36 0.00 0.00 31.31 30.00 1xtb n TRP 1268CO 0.00 0.00 0.00 0.08 -2.29 0.00 0.00 177.69 175.48 1xtb s VAL 1269N -1.94 4.34 0.24 -1.67 1.01 -0.08 -1.61 120.40 120.68 1xtb s VAL 1269Ca 0.14 -1.80 -0.30 0.00 0.00 0.00 0.00 61.98 60.02 1xtb s VAL 1269Cb 0.07 -3.85 -0.10 0.00 0.00 0.00 0.00 36.38 32.50 1xtb s VAL 1269CO 0.10 -0.80 1.37 -0.83 0.00 0.00 0.00 175.10 174.95 1xtb s GLY 1270N 2.72 2.47 0.23 4.51 0.00 -1.26 -4.84 107.32 111.14 1xtb s GLY 1270Ca 0.06 1.23 -0.13 0.00 0.00 0.00 0.00 44.72 45.87 1xtb s GLY 1270CO -0.01 2.14 1.59 -1.33 0.00 0.00 0.00 173.10 175.50 1xtb h GLY 1271N 4.94 0.41 0.50 0.20 0.00 -1.95 0.62 103.07 107.80 1xtb h GLY 1271Ca -0.46 0.32 0.00 0.00 0.00 0.00 0.00 47.33 47.19 1xtb h GLY 1271CO 0.76 -0.28 0.00 -0.96 0.00 0.00 0.00 176.54 176.06 1xtb n ARG 1272N -5.50 0.55 -0.91 4.80 1.85 -1.26 -1.80 116.66 114.39 1xtb n ARG 1272Ca 0.10 0.00 0.04 0.00 -1.00 0.00 0.00 57.85 56.99 1xtb n ARG 1272Cb 0.40 -1.25 0.06 0.00 -1.05 0.00 0.00 32.46 30.61 1xtb n ARG 1272CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 1xtb n TYR 1273N -0.75 0.00 0.53 2.89 4.02 0.21 -4.80 117.16 119.26 1xtb n TYR 1273Ca 0.07 -0.56 0.09 0.00 -0.01 0.00 0.00 57.90 57.48 1xtb n TYR 1273Cb 0.03 -0.14 0.12 0.00 -0.02 0.00 0.00 39.34 39.33 1xtb n TYR 1273CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 1xtb n SER 1274N -0.11 2.75 0.31 7.72 3.41 -0.67 -4.46 113.62 122.57 1xtb n SER 1274Ca 0.07 -1.82 0.20 0.00 -0.26 0.00 0.00 58.87 57.07 1xtb n SER 1274Cb 0.89 -0.08 0.98 0.00 -0.26 0.00 0.00 64.21 65.74 1xtb n SER 1274CO 0.00 0.00 0.00 0.17 -0.16 0.00 0.00 175.04 175.05 1xtb h LEU 1275N 3.55 0.00 -0.06 1.04 8.10 -1.84 -1.46 115.31 124.63 1xtb h LEU 1275Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.99 1xtb h LEU 1275Cb 0.79 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.01 1xtb h LEU 1275CO 0.00 0.00 -0.09 0.79 -4.11 0.00 0.00 178.44 175.03 1xtb n TRP 1276N -3.05 0.00 -1.77 0.17 7.02 -1.26 -3.01 117.44 115.54 1xtb n TRP 1276Ca -0.01 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.47 1xtb n TRP 1276Cb 0.17 -0.33 0.00 0.00 -2.42 0.00 0.00 31.31 28.73 1xtb n TRP 1276CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54 1xtb n SER 1277N -1.30 0.13 0.26 -0.99 3.41 -0.55 -4.77 113.62 109.81 1xtb n SER 1277Ca 0.11 0.00 0.18 0.00 -0.26 0.00 0.00 58.87 58.90 1xtb n SER 1277Cb 0.30 0.00 0.90 0.00 -0.26 0.00 0.00 64.21 65.14 1xtb n SER 1277CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xtb h ALA 1278N -0.81 1.54 0.00 7.33 0.00 -1.80 0.69 119.26 126.20 1xtb h ALA 1278Ca 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1xtb h ALA 1278Cb 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1xtb h ALA 1278CO 0.00 -0.28 -0.00 0.82 0.00 0.00 0.00 179.25 179.79 1xtb h ILE 1279N 0.00 0.01 -0.28 0.00 1.08 -1.84 -1.58 117.51 114.89 1xtb h ILE 1279Ca 0.05 -0.08 0.00 0.00 -0.39 0.00 0.00 64.86 64.44 1xtb h ILE 1279Cb 0.50 1.08 0.00 0.00 -3.07 0.00 0.00 36.82 35.33 1xtb h ILE 1279CO -0.00 0.00 0.00 0.61 -0.69 0.00 0.00 178.15 178.07 1xtb n GLY 1280N -0.91 0.55 0.29 5.37 0.00 0.23 -4.35 105.19 106.37 1xtb n GLY 1280Ca -0.02 -0.32 0.05 0.00 0.00 0.00 0.00 46.02 45.73 1xtb n GLY 1280CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1xtb h LEU 1281N 1.66 0.43 -1.87 0.99 5.85 -1.47 0.92 115.31 121.82 1xtb h LEU 1281Ca 0.00 0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.80 1xtb h LEU 1281Cb 0.47 0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.52 1xtb h LEU 1281CO 0.02 0.19 -0.02 0.77 -0.34 0.00 0.00 178.44 179.06 1xtb h SER 1282N 0.56 0.05 -0.12 1.25 4.64 -1.85 0.48 113.55 118.54 1xtb h SER 1282Ca 0.42 -0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.67 1xtb h SER 1282Cb 0.59 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 62.67 1xtb h SER 1282CO -0.36 0.08 -0.19 0.40 -0.87 0.00 0.00 176.83 175.89 1xtb h ILE 1283N 0.05 1.37 -0.47 0.95 2.04 -1.16 -2.17 117.51 118.13 1xtb h ILE 1283Ca 0.01 -1.43 -0.00 0.00 1.00 0.00 0.00 64.86 64.44 1xtb h ILE 1283Cb 0.07 2.02 -0.02 0.00 -0.74 0.00 0.00 36.82 38.15 1xtb h ILE 1283CO 0.00 0.42 0.29 0.00 0.00 0.00 0.00 178.15 178.86 1xtb h ALA 1284N 0.55 0.60 -0.55 1.87 0.00 -0.62 -0.90 119.26 120.21 1xtb h ALA 1284Ca 0.01 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1xtb h ALA 1284Cb 0.76 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 1xtb h ALA 1284CO 0.04 0.08 0.24 -0.07 0.00 0.00 0.00 179.25 179.54 1xtb h LEU 1285N 0.63 0.71 0.01 0.00 3.38 -0.94 0.55 115.31 119.66 1xtb h LEU 1285Ca 0.17 -0.08 -0.14 0.00 0.09 0.00 0.00 57.88 57.92 1xtb h LEU 1285Cb -0.03 -0.18 0.01 0.00 0.09 0.00 0.00 40.66 40.55 1xtb h LEU 1285CO -0.03 0.63 -0.57 -0.74 0.09 0.00 0.00 178.44 177.82 1xtb h HIS 1286N 0.78 0.54 -0.16 1.13 2.76 -0.94 -3.38 115.15 115.88 1xtb h HIS 1286Ca 0.19 -0.31 0.00 0.00 -2.20 0.00 0.00 60.37 58.06 1xtb h HIS 1286Cb 0.12 -0.06 0.00 0.00 1.55 0.00 0.00 27.41 29.02 1xtb h HIS 1286CO 0.01 1.13 0.00 1.33 -1.30 0.00 0.00 177.93 179.10 1xtb n VAL 1287N -4.26 0.51 0.00 5.26 0.24 -0.38 -4.21 118.33 115.49 1xtb n VAL 1287Ca -0.11 -0.75 0.00 0.00 -2.04 0.00 0.00 64.34 61.44 1xtb n VAL 1287Cb 0.66 0.85 0.00 0.00 -1.47 0.00 0.00 33.84 33.88 1xtb n VAL 1287CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1xtb n GLY 1288N 0.47 -1.22 0.21 7.63 0.00 0.19 -4.27 105.19 108.22 1xtb n GLY 1288Ca 0.08 -1.52 -0.03 0.00 0.00 0.00 0.00 46.02 44.56 1xtb n GLY 1288CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1xtb h PHE 1289N 0.00 0.40 -0.54 1.61 3.57 -1.92 -2.45 116.94 117.60 1xtb h PHE 1289Ca 0.00 -0.10 0.02 0.00 3.53 0.00 0.00 57.97 61.43 1xtb h PHE 1289Cb 0.00 -0.09 -0.04 0.00 2.79 0.00 0.00 35.95 38.61 1xtb h PHE 1289CO 0.00 0.65 0.32 -0.44 -2.23 0.00 0.00 178.31 176.62 1xtb h ASP 1290N 0.30 0.53 -0.11 0.41 5.19 -1.94 0.78 116.42 121.57 1xtb h ASP 1290Ca 0.04 0.00 -0.11 0.00 -0.62 0.00 0.00 57.03 56.34 1xtb h ASP 1290Cb 0.75 -0.11 -0.01 0.00 0.18 0.00 0.00 39.33 40.14 1xtb h ASP 1290CO 0.06 0.37 -0.28 0.78 -3.12 0.00 0.00 179.24 177.05 1xtb h ASN 1291N 0.64 0.59 -0.63 6.45 -0.26 -1.71 -1.72 115.58 118.93 1xtb h ASN 1291Ca 0.22 -0.22 -0.05 0.00 -0.56 0.00 0.00 56.30 55.68 1xtb h ASN 1291Cb 0.02 -0.16 -0.03 0.00 -1.06 0.00 0.00 38.32 37.09 1xtb h ASN 1291CO -0.09 0.85 0.18 0.15 -1.06 0.00 0.00 177.43 177.45 1xtb h PHE 1292N 0.50 1.04 0.00 1.19 3.57 -0.88 -0.60 116.94 121.76 1xtb h PHE 1292Ca 0.07 -0.11 -0.06 0.00 3.53 0.00 0.00 57.97 61.39 1xtb h PHE 1292Cb 0.74 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 39.17 1xtb h PHE 1292CO 0.03 0.85 -0.30 0.93 -2.23 0.00 0.00 178.31 177.60 1xtb h GLU 1293N 0.92 0.00 -0.39 1.11 5.08 -0.61 -0.78 114.58 119.91 1xtb h GLU 1293Ca 0.20 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.41 1xtb h GLU 1293Cb 0.32 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 1xtb h GLU 1293CO -0.00 0.30 -0.34 1.96 -1.00 0.00 0.00 179.01 179.93 1xtb h GLN 1294N 0.00 0.90 -0.21 2.33 1.08 -0.51 0.15 115.11 118.85 1xtb h GLN 1294Ca -0.00 -0.44 -0.00 0.00 -1.45 0.00 0.00 58.65 56.75 1xtb h GLN 1294Cb 0.62 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.04 1xtb h GLN 1294CO 0.04 1.09 0.12 1.25 -0.95 0.00 0.00 178.83 180.38 1xtb h LEU 1295N 0.75 0.26 -0.75 1.46 5.85 -0.17 -0.12 115.31 122.59 1xtb h LEU 1295Ca 0.07 -0.07 -0.06 0.00 0.84 0.00 0.00 57.88 58.66 1xtb h LEU 1295Cb 0.91 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.85 1xtb h LEU 1295CO 0.08 0.26 0.24 -0.07 -0.34 0.00 0.00 178.44 178.61 1xtb h LEU 1296N 0.24 1.09 -0.89 2.25 3.38 -1.02 -2.67 115.31 117.69 1xtb h LEU 1296Ca 0.07 -0.21 -0.04 0.00 0.09 0.00 0.00 57.88 57.80 1xtb h LEU 1296Cb 0.05 -0.29 -0.04 0.00 0.09 0.00 0.00 40.66 40.48 1xtb h LEU 1296CO -0.01 1.01 0.34 0.28 0.09 0.00 0.00 178.44 180.15 1xtb h SER 1297N 1.12 1.05 -0.62 -0.43 0.02 -0.34 -0.53 113.55 113.82 1xtb h SER 1297Ca 0.24 -0.14 -0.00 0.00 -0.84 0.00 0.00 61.79 61.04 1xtb h SER 1297Cb 0.31 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.54 1xtb h SER 1297CO -0.01 0.91 0.37 1.23 -1.14 0.00 0.00 176.83 178.19 1xtb h GLY 1298N 1.16 0.91 1.02 -3.77 0.00 -0.70 -0.39 103.07 101.29 1xtb h GLY 1298Ca 0.27 -0.38 -0.09 0.00 0.00 0.00 0.00 47.33 47.13 1xtb h GLY 1298CO -0.03 0.37 -0.03 0.00 0.00 0.00 0.00 176.54 176.85 1xtb h ALA 1299N 1.19 0.67 -0.97 3.60 0.00 -1.17 -2.40 119.26 120.18 1xtb h ALA 1299Ca 0.22 -0.30 0.01 0.00 0.00 0.00 0.00 54.91 54.84 1xtb h ALA 1299Cb -0.01 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.55 1xtb h ALA 1299CO -0.04 0.51 0.64 1.25 0.00 0.00 0.00 179.25 181.61 1xtb h HIS 1300N 0.75 1.22 -0.25 0.00 6.17 -0.72 0.22 115.15 122.54 1xtb h HIS 1300Ca 0.14 0.03 0.01 0.00 0.71 0.00 0.00 60.37 61.26 1xtb h HIS 1300Cb 0.56 -0.41 -0.02 0.00 2.52 0.00 0.00 27.41 30.06 1xtb h HIS 1300CO 0.04 0.76 0.14 2.35 0.71 0.00 0.00 177.93 181.93 1xtb h TRP 1301N 1.31 0.25 -0.53 5.26 7.01 -0.81 -0.52 115.95 127.92 1xtb h TRP 1301Ca 0.36 0.01 -0.06 0.00 2.11 0.00 0.00 58.89 61.31 1xtb h TRP 1301Cb -0.14 -0.08 -0.02 0.00 -2.10 0.00 0.00 29.16 26.81 1xtb h TRP 1301CO -0.00 0.15 0.08 1.98 -2.79 0.00 0.00 178.44 177.86 1xtb h MET 1302N 0.29 0.84 -0.77 2.65 4.05 -0.85 -0.72 114.93 120.42 1xtb h MET 1302Ca 0.10 -0.19 0.03 0.00 -0.28 0.00 0.00 59.70 59.35 1xtb h MET 1302Cb 0.01 -0.11 -0.05 0.00 -0.80 0.00 0.00 31.60 30.65 1xtb h MET 1302CO -0.06 0.79 0.49 -0.44 0.23 0.00 0.00 176.91 177.92 1xtb h ASP 1303N 0.80 0.82 -0.59 1.39 3.32 0.07 0.61 116.42 122.84 1xtb h ASP 1303Ca 0.17 -0.01 -0.10 0.00 0.02 0.00 0.00 57.03 57.11 1xtb h ASP 1303Cb 0.36 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.70 1xtb h ASP 1303CO 0.01 0.57 -0.02 1.56 -1.72 0.00 0.00 179.24 179.64 1xtb h GLN 1304N 0.97 1.05 -0.68 3.56 4.20 -0.44 -1.13 115.11 122.64 1xtb h GLN 1304Ca 0.30 -0.35 -0.05 0.00 0.06 0.00 0.00 58.65 58.62 1xtb h GLN 1304Cb -0.02 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 27.65 1xtb h GLN 1304CO -0.10 1.04 0.24 1.25 -0.67 0.00 0.00 178.83 180.60 1xtb h HIS 1305N 0.94 1.06 -0.69 2.96 2.76 -0.51 -0.89 115.15 120.80 1xtb h HIS 1305Ca 0.16 -0.09 -0.08 0.00 -2.20 0.00 0.00 60.37 58.16 1xtb h HIS 1305Cb 0.59 -0.31 -0.03 0.00 1.55 0.00 0.00 27.41 29.21 1xtb h HIS 1305CO 0.04 0.84 0.12 0.35 -1.30 0.00 0.00 177.93 177.98 1xtb h PHE 1306N 0.98 1.20 0.04 5.26 3.57 -0.66 -2.40 116.94 124.93 1xtb h PHE 1306Ca 0.22 -0.16 -0.23 0.00 3.53 0.00 0.00 57.97 61.33 1xtb h PHE 1306Cb 0.25 -0.33 -0.01 0.00 2.79 0.00 0.00 35.95 38.66 1xtb h PHE 1306CO 0.02 0.99 -1.03 -0.09 -2.23 0.00 0.00 178.31 175.98 1xtb h ARG 1307N 1.06 0.22 -0.00 1.11 2.43 -0.96 -3.37 114.38 114.87 1xtb h ARG 1307Ca 0.21 -0.30 0.00 0.00 -0.81 0.00 0.00 59.98 59.08 1xtb h ARG 1307Cb 0.43 0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.08 1xtb h ARG 1307CO 0.01 1.07 -0.80 0.25 -1.51 0.00 0.00 179.97 179.00 1xtb n THR 1308N -3.59 0.00 -3.42 0.20 -2.24 -0.36 -4.99 114.28 99.88 1xtb n THR 1308Ca -0.05 -0.10 -0.38 0.00 -2.27 0.00 0.00 64.05 61.25 1xtb n THR 1308Cb 0.90 1.06 -0.06 0.00 -2.10 0.00 0.00 70.33 70.13 1xtb n THR 1308CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1xtb s THR 1309N -2.70 5.07 0.31 4.28 2.01 -0.90 -5.04 115.64 118.66 1xtb s THR 1309Ca 0.10 0.89 -0.29 0.00 0.31 0.00 0.00 61.69 62.70 1xtb s THR 1309Cb 0.15 -3.76 -0.12 0.00 0.01 0.00 0.00 72.50 68.78 1xtb s THR 1309CO 0.73 0.49 1.43 -2.65 -0.69 0.00 0.00 174.62 173.93 1xtb n PRO 1310N 2.49 2.37 -0.34 4.92 -0.02 -1.26 -4.66 135.00 138.49 1xtb n PRO 1310Ca -0.11 0.84 0.12 0.00 -2.02 0.00 0.00 63.50 62.32 1xtb n PRO 1310Cb 0.52 -2.52 0.25 0.00 -0.02 0.00 0.00 33.50 31.73 1xtb n PRO 1310CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1xtb h LEU 1311N 3.56 -0.58 -1.28 2.45 3.38 -1.96 0.46 115.31 121.34 1xtb h LEU 1311Ca -0.47 0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.78 1xtb h LEU 1311Cb 1.26 0.51 0.00 0.00 0.09 0.00 0.00 40.66 42.52 1xtb h LEU 1311CO 0.70 -0.34 0.05 -1.84 0.09 0.00 0.00 178.44 177.10 1xtb n GLU 1312N -5.52 0.12 -0.08 1.13 0.00 -1.26 -1.30 120.64 113.74 1xtb n GLU 1312Ca 0.21 0.62 0.02 0.00 0.00 0.00 0.00 57.16 58.01 1xtb n GLU 1312Cb 0.68 -1.96 0.03 0.00 0.00 0.00 0.00 31.44 30.19 1xtb n GLU 1312CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1xtb n LYS 1313N -2.18 1.51 -2.90 3.44 4.76 0.10 -5.01 118.16 117.88 1xtb n LYS 1313Ca -0.01 -1.42 -0.43 0.00 -2.87 0.00 0.00 58.31 53.58 1xtb n LYS 1313Cb 0.08 -0.92 -0.05 0.00 -1.84 0.00 0.00 35.03 32.30 1xtb n LYS 1313CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 1xtb s ASN 1314N -1.15 6.33 0.12 4.39 3.84 -0.42 -4.89 114.94 123.17 1xtb s ASN 1314Ca 0.07 -0.41 -0.29 0.00 0.21 0.00 0.00 52.86 52.44 1xtb s ASN 1314Cb 0.06 -2.41 -0.09 0.00 -0.55 0.00 0.00 41.25 38.26 1xtb s ASN 1314CO 0.01 -1.14 1.48 0.00 -2.79 0.00 0.00 177.10 174.67 1xtb h ALA 1315N 9.22 -0.69 0.00 1.71 0.00 -1.91 -0.24 119.26 127.34 1xtb h ALA 1315Ca -0.26 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 1xtb h ALA 1315Cb 1.08 1.12 -0.00 0.00 0.00 0.00 0.00 17.79 19.99 1xtb h ALA 1315CO 1.05 -0.95 -0.07 -1.00 0.00 0.00 0.00 179.25 178.28 1xtb h PRO 1316N -0.30 0.00 -0.09 0.00 0.13 -1.94 -1.15 132.00 128.65 1xtb h PRO 1316Ca 0.08 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.14 1xtb h PRO 1316Cb 0.50 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.63 1xtb h PRO 1316CO -0.58 0.07 -0.22 0.28 -0.23 0.00 0.00 178.00 177.32 1xtb h VAL 1317N 0.00 1.40 -0.40 1.56 2.07 -1.60 -1.55 116.25 117.73 1xtb h VAL 1317Ca -0.00 -1.54 -0.00 0.00 0.82 0.00 0.00 66.70 65.98 1xtb h VAL 1317Cb 0.14 2.17 -0.02 0.00 -1.52 0.00 0.00 31.29 32.06 1xtb h VAL 1317CO 0.01 0.44 0.25 -0.07 0.02 0.00 0.00 177.57 178.22 1xtb h LEU 1318N -0.15 0.48 -0.48 2.57 3.38 -0.71 0.05 115.31 120.46 1xtb h LEU 1318Ca -0.00 -0.05 0.03 0.00 0.09 0.00 0.00 57.88 57.95 1xtb h LEU 1318Cb 0.82 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.41 1xtb h LEU 1318CO 0.05 0.39 0.26 -0.07 0.09 0.00 0.00 178.44 179.15 1xtb h LEU 1319N 0.53 0.39 0.36 1.67 3.38 -1.24 -1.44 115.31 118.97 1xtb h LEU 1319Ca 0.15 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 1xtb h LEU 1319Cb -0.01 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.68 1xtb h LEU 1319CO -0.03 0.28 -0.20 0.00 0.09 0.00 0.00 178.44 178.58 1xtb h ALA 1320N 1.24 -0.53 -0.15 1.53 0.00 -0.80 -2.51 119.26 118.05 1xtb h ALA 1320Ca 0.20 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 1xtb h ALA 1320Cb 0.07 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1xtb h ALA 1320CO -0.12 -0.80 -0.16 0.52 0.00 0.00 0.00 179.25 178.68 1xtb h MET 1321N -0.53 0.24 -0.52 0.00 2.86 -0.87 -1.12 114.93 114.99 1xtb h MET 1321Ca -0.04 -0.06 -0.07 0.00 -2.06 0.00 0.00 59.70 57.46 1xtb h MET 1321Cb 0.43 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.03 1xtb h MET 1321CO 0.06 0.41 0.04 -0.07 1.06 0.00 0.00 176.91 178.41 1xtb h LEU 1322N 0.23 0.81 -0.55 1.22 3.38 -1.18 -0.56 115.31 118.66 1xtb h LEU 1322Ca 0.04 -0.19 -0.08 0.00 0.09 0.00 0.00 57.88 57.75 1xtb h LEU 1322Cb 0.43 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 1xtb h LEU 1322CO 0.03 0.85 0.02 1.23 0.09 0.00 0.00 178.44 180.66 1xtb h GLY 1323N 0.99 1.04 1.00 0.83 0.00 -0.85 -2.17 103.07 103.90 1xtb h GLY 1323Ca 0.16 -0.74 0.01 0.00 0.00 0.00 0.00 47.33 46.75 1xtb h GLY 1323CO 0.01 0.69 0.48 -2.22 0.00 0.00 0.00 176.54 175.50 1xtb h ILE 1324N 0.84 1.18 -0.21 2.60 1.08 -0.77 0.19 117.51 122.42 1xtb h ILE 1324Ca 0.16 -0.34 0.05 0.00 -0.39 0.00 0.00 64.86 64.34 1xtb h ILE 1324Cb 0.51 0.11 -0.05 0.00 -3.07 0.00 0.00 36.82 34.32 1xtb h ILE 1324CO 0.02 0.18 -0.10 -0.25 -0.69 0.00 0.00 178.15 177.31 1xtb h TRP 1325N 0.98 -0.25 -0.07 1.37 -0.00 -0.74 0.20 115.95 117.45 1xtb h TRP 1325Ca 0.27 0.02 -0.17 0.00 -0.00 0.00 0.00 58.89 59.01 1xtb h TRP 1325Cb -0.11 0.14 -0.01 0.00 -0.00 0.00 0.00 29.16 29.19 1xtb h TRP 1325CO -0.02 -0.16 -0.69 1.88 -0.00 0.00 0.00 178.44 179.44 1xtb h TYR 1326N -0.08 0.42 0.10 2.65 0.05 -0.97 -2.22 116.97 116.92 1xtb h TYR 1326Ca 0.12 -0.18 -0.00 0.00 0.05 0.00 0.00 58.73 58.71 1xtb h TYR 1326Cb 0.25 -0.07 0.00 0.00 1.01 0.00 0.00 36.73 37.93 1xtb h TYR 1326CO -0.27 0.91 -0.05 0.82 -1.05 0.00 0.00 178.16 178.52 1xtb h ILE 1327N 0.22 0.70 0.00 -2.88 2.04 -0.34 0.96 117.51 118.21 1xtb h ILE 1327Ca -0.02 -1.31 0.00 0.00 1.00 0.00 0.00 64.86 64.53 1xtb h ILE 1327Cb 1.25 1.27 0.00 0.00 -0.74 0.00 0.00 36.82 38.59 1xtb h ILE 1327CO 0.11 0.21 -0.44 0.59 0.00 0.00 0.00 178.15 178.63 1xtb n ASN 1328N -4.83 0.60 -0.05 1.72 4.13 0.69 -2.60 115.26 114.92 1xtb n ASN 1328Ca -0.06 0.15 -0.10 0.00 1.68 0.00 0.00 54.58 56.26 1xtb n ASN 1328Cb 0.22 -0.04 -0.04 0.00 -1.54 0.00 0.00 39.78 38.38 1xtb n ASN 1328CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1xtb h PHE 1330N -0.23 0.00 -0.40 0.00 -1.00 -1.37 -3.49 116.94 110.45 1xtb h PHE 1330Ca -0.26 0.00 -0.07 0.00 2.81 0.00 0.00 57.97 60.44 1xtb h PHE 1330Cb 1.30 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.85 1xtb h PHE 1330CO -0.02 0.00 -0.08 0.41 -1.61 0.00 0.00 178.31 177.01 1xtb n GLY 1331N 1.17 0.36 3.69 -1.45 0.00 -0.22 -4.98 105.19 103.76 1xtb n GLY 1331Ca 0.01 -0.80 -0.42 0.00 0.00 0.00 0.00 46.02 44.81 1xtb n GLY 1331CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xtb h GLU 1333N 7.60 0.00 -5.65 0.00 5.08 -1.89 -3.40 114.58 116.33 1xtb h GLU 1333Ca -0.34 0.00 -0.60 0.00 -1.00 0.00 0.00 59.36 57.42 1xtb h GLU 1333Cb 1.16 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 30.28 1xtb h GLU 1333CO 0.89 0.75 -0.62 0.95 -1.00 0.00 0.00 179.01 179.98 1xtb s THR 1334N -3.27 1.92 -0.10 1.13 -4.23 -1.26 -0.78 115.64 109.05 1xtb s THR 1334Ca -0.00 -2.05 -0.02 0.00 -1.18 0.00 0.00 61.69 58.43 1xtb s THR 1334Cb 0.12 -2.86 0.04 0.00 1.34 0.00 0.00 72.50 71.13 1xtb s THR 1334CO 0.78 -0.06 0.03 -1.58 -0.54 0.00 0.00 174.62 173.25 1xtb s GLN 1335N -3.72 0.37 -0.06 3.99 2.00 -0.31 -4.19 119.66 117.75 1xtb s GLN 1335Ca 0.34 0.07 -0.14 0.00 -2.00 0.00 0.00 55.36 53.64 1xtb s GLN 1335Cb 0.08 -1.14 -0.05 0.00 0.80 0.00 0.00 33.01 32.69 1xtb s GLN 1335CO 0.17 -0.41 0.36 0.00 -0.50 0.00 0.00 175.29 174.90 1xtb s ALA 1336N 2.03 3.68 -0.25 1.58 0.00 -0.57 -2.07 121.76 126.15 1xtb s ALA 1336Ca 0.04 -0.32 0.00 0.00 0.00 0.00 0.00 51.96 51.68 1xtb s ALA 1336Cb -0.13 -2.36 0.04 0.00 0.00 0.00 0.00 23.12 20.67 1xtb s ALA 1336CO -0.06 0.38 -0.09 0.08 0.00 0.00 0.00 175.76 176.07 1xtb s VAL 1337N -0.60 2.55 -0.55 0.00 1.01 0.02 -0.75 120.40 122.09 1xtb s VAL 1337Ca 0.21 -1.27 0.04 0.00 0.00 0.00 0.00 61.98 60.96 1xtb s VAL 1337Cb -0.15 -2.36 0.15 0.00 0.00 0.00 0.00 36.38 34.02 1xtb s VAL 1337CO 0.10 0.12 0.34 -0.76 0.00 0.00 0.00 175.10 174.90 1xtb s LEU 1338N 1.24 3.71 -0.08 3.92 1.43 0.70 -3.86 118.68 125.73 1xtb s LEU 1338Ca -0.03 -3.18 -0.26 0.00 -1.03 0.00 0.00 54.13 49.62 1xtb s LEU 1338Cb -0.18 -1.34 -0.03 0.00 0.03 0.00 0.00 46.19 44.68 1xtb s LEU 1338CO -0.05 -0.19 0.84 -2.16 0.23 0.00 0.00 176.35 175.02 1xtb s PRO 1339N -0.45 4.43 -1.26 1.29 0.04 -1.26 -2.26 135.00 135.52 1xtb s PRO 1339Ca 0.21 1.11 -0.11 0.00 0.04 0.00 0.00 61.00 62.25 1xtb s PRO 1339Cb -0.15 -3.50 0.17 0.00 0.04 0.00 0.00 34.50 31.06 1xtb s PRO 1339CO -0.07 -0.12 1.73 0.66 0.04 0.00 0.00 177.00 179.24 1xtb n TYR 1340N 4.36 3.64 -3.52 0.56 4.02 0.18 -1.59 117.16 124.81 1xtb n TYR 1340Ca 0.03 -2.98 -0.00 0.00 -0.01 0.00 0.00 57.90 54.94 1xtb n TYR 1340Cb 0.50 -2.04 -0.05 0.00 -0.02 0.00 0.00 39.34 37.74 1xtb n TYR 1340CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 1xtb s ASP 1341N 1.56 -0.77 0.33 7.72 2.15 -1.26 -4.62 116.67 121.78 1xtb s ASP 1341Ca 0.41 1.08 0.04 0.00 0.43 0.00 0.00 52.55 54.51 1xtb s ASP 1341Cb 0.05 1.78 0.58 0.00 -0.30 0.00 0.00 42.92 45.03 1xtb s ASP 1341CO 0.00 -0.15 1.84 -0.61 -0.17 0.00 0.00 175.17 176.08 1xtb h GLN 1342N 7.43 0.49 0.00 4.34 5.75 -1.86 -2.45 115.11 128.80 1xtb h GLN 1342Ca -0.19 -0.12 -0.03 0.00 -0.15 0.00 0.00 58.65 58.16 1xtb h GLN 1342Cb 1.13 -0.06 -0.00 0.00 1.07 0.00 0.00 27.48 29.61 1xtb h GLN 1342CO 0.11 0.57 -0.12 1.88 -2.65 0.00 0.00 178.83 178.62 1xtb h TYR 1343N 0.46 0.00 -0.54 3.99 0.99 -1.90 -2.17 116.97 117.79 1xtb h TYR 1343Ca 0.09 0.00 -0.23 0.00 2.00 0.00 0.00 58.73 60.60 1xtb h TYR 1343Cb 0.41 0.00 -0.13 0.00 1.00 0.00 0.00 36.73 38.01 1xtb h TYR 1343CO 0.01 0.12 0.29 1.28 -0.00 0.00 0.00 178.16 179.86 1xtb n LEU 1344N -4.05 4.92 0.16 3.88 4.77 -0.92 -2.82 117.00 122.94 1xtb n LEU 1344Ca -0.02 -2.57 0.11 0.00 -0.03 0.00 0.00 56.01 53.50 1xtb n LEU 1344Cb 0.20 -0.68 0.59 0.00 -2.33 0.00 0.00 43.42 41.20 1xtb n LEU 1344CO 0.33 0.73 0.84 0.00 -1.33 0.00 0.00 177.39 177.96 1xtb n HIS 1345N -0.25 0.75 -0.06 -1.77 1.44 -0.82 -1.35 115.22 113.16 1xtb n HIS 1345Ca 0.31 0.39 0.03 0.00 -2.01 0.00 0.00 57.72 56.44 1xtb n HIS 1345Cb 1.12 -1.12 0.07 0.00 0.12 0.00 0.00 29.99 30.18 1xtb n HIS 1345CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 1xtb n ARG 1346N -2.27 2.67 0.05 -1.40 5.12 -1.26 -4.69 116.66 114.87 1xtb n ARG 1346Ca -0.01 -1.71 -0.12 0.00 -1.93 0.00 0.00 57.85 54.08 1xtb n ARG 1346Cb 0.05 -1.14 -0.08 0.00 -1.16 0.00 0.00 32.46 30.14 1xtb n ARG 1346CO 0.00 0.00 0.00 0.35 -1.93 0.00 0.00 177.63 176.05 1xtb h PHE 1347N 1.06 -0.04 -0.57 -1.55 3.57 -1.56 -1.28 116.94 116.56 1xtb h PHE 1347Ca 0.00 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.52 1xtb h PHE 1347Cb 0.59 0.01 -0.03 0.00 2.79 0.00 0.00 35.95 39.31 1xtb h PHE 1347CO 0.11 0.06 0.36 0.00 -2.23 0.00 0.00 178.31 176.61 1xtb h ALA 1348N 0.82 0.74 -0.45 2.41 0.00 -1.84 -2.04 119.26 118.90 1xtb h ALA 1348Ca -0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1xtb h ALA 1348Cb 0.13 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1xtb h ALA 1348CO 0.01 0.10 0.19 0.00 0.00 0.00 0.00 179.25 179.55 1xtb h ALA 1349N 1.24 1.51 -0.47 0.00 0.00 -1.82 -1.01 119.26 118.71 1xtb h ALA 1349Ca 0.22 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 1xtb h ALA 1349Cb -0.01 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1xtb h ALA 1349CO -0.08 0.39 0.14 -0.92 0.00 0.00 0.00 179.25 178.77 1xtb h TYR 1350N 0.63 0.76 -0.00 0.00 3.20 -0.52 -2.63 116.97 118.41 1xtb h TYR 1350Ca 0.16 -0.08 0.00 0.00 3.14 0.00 0.00 58.73 61.94 1xtb h TYR 1350Cb 0.10 -0.22 0.00 0.00 1.54 0.00 0.00 36.73 38.15 1xtb h TYR 1350CO 0.01 0.68 -0.10 1.19 -1.64 0.00 0.00 178.16 178.30 1xtb n PHE 1351N -4.52 0.00 -0.16 -3.82 3.01 -1.00 -1.39 117.46 109.58 1xtb n PHE 1351Ca 0.01 0.00 -0.10 0.00 1.01 0.00 0.00 57.45 58.37 1xtb n PHE 1351Cb 0.20 -0.41 -0.00 0.00 -0.01 0.00 0.00 39.48 39.25 1xtb n PHE 1351CO 0.00 0.00 0.00 0.37 1.01 0.00 0.00 176.76 178.14 1xtb h GLN 1352N 0.04 0.81 0.02 -1.08 4.15 -0.81 0.11 115.11 118.35 1xtb h GLN 1352Ca 0.00 -0.25 -0.00 0.00 0.77 0.00 0.00 58.65 59.17 1xtb h GLN 1352Cb 0.47 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 28.08 1xtb h GLN 1352CO 0.00 0.85 -0.01 0.37 -1.93 0.00 0.00 178.83 178.11 1xtb h GLN 1353N 0.66 -0.03 -1.00 1.69 4.15 -1.42 -2.17 115.11 116.99 1xtb h GLN 1353Ca 0.13 0.00 0.14 0.00 0.77 0.00 0.00 58.65 59.69 1xtb h GLN 1353Cb 0.47 0.01 -0.09 0.00 0.21 0.00 0.00 27.48 28.08 1xtb h GLN 1353CO 0.02 0.72 0.63 0.78 -1.93 0.00 0.00 178.83 179.05 1xtb h GLY 1354N -0.87 1.68 0.00 2.39 0.00 -1.20 -0.49 103.07 104.58 1xtb h GLY 1354Ca -0.00 -0.41 -0.01 0.00 0.00 0.00 0.00 47.33 46.91 1xtb h GLY 1354CO 0.00 0.11 -0.27 -1.80 0.00 0.00 0.00 176.54 174.58 1xtb h ASP 1355N 0.94 0.00 -0.93 0.19 1.82 -0.89 -3.28 116.42 114.27 1xtb h ASP 1355Ca 0.52 -0.08 -0.00 0.00 -0.39 0.00 0.00 57.03 57.08 1xtb h ASP 1355Cb 0.59 0.00 -0.05 0.00 0.68 0.00 0.00 39.33 40.55 1xtb h ASP 1355CO -0.29 0.68 0.58 0.24 -1.61 0.00 0.00 179.24 178.84 1xtb h MET 1356N -1.00 1.25 0.00 0.28 2.86 -1.42 0.12 114.93 117.02 1xtb h MET 1356Ca -0.02 -0.10 -0.08 0.00 -2.06 0.00 0.00 59.70 57.44 1xtb h MET 1356Cb 0.33 -0.27 -0.01 0.00 0.06 0.00 0.00 31.60 31.71 1xtb h MET 1356CO -0.01 0.86 -0.37 1.49 1.06 0.00 0.00 176.91 179.94 1xtb h GLU 1357N 1.28 0.00 0.00 1.72 4.81 -1.23 -0.14 114.58 121.01 1xtb h GLU 1357Ca 0.34 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.57 1xtb h GLU 1357Cb -0.08 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.30 1xtb h GLU 1357CO -0.07 0.37 -0.00 0.77 -0.73 0.00 0.00 179.01 179.35 1xtb h SER 1358N 0.00 0.00 -0.50 1.04 0.02 -1.47 -3.40 113.55 109.25 1xtb h SER 1358Ca -0.00 -0.97 0.00 0.00 -0.84 0.00 0.00 61.79 59.98 1xtb h SER 1358Cb 0.97 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.51 1xtb h SER 1358CO 0.05 0.99 0.00 0.59 -1.14 0.00 0.00 176.83 177.31 1xtb n ASN 1359N -4.61 3.58 -3.93 3.07 5.03 0.37 -4.04 115.26 114.72 1xtb n ASN 1359Ca -0.10 -2.15 -0.43 0.00 0.87 0.00 0.00 54.58 52.78 1xtb n ASN 1359Cb 0.47 -0.38 0.00 0.00 -1.02 0.00 0.00 39.78 38.84 1xtb n ASN 1359CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1xtb n GLY 1360N 0.85 4.40 3.25 7.41 0.00 -0.07 -1.31 105.19 119.73 1xtb n GLY 1360Ca 0.18 -1.91 -0.15 0.00 0.00 0.00 0.00 46.02 44.15 1xtb n GLY 1360CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xtb s LYS 1361N 1.53 1.07 0.00 1.61 -0.14 -1.26 -4.97 119.74 117.57 1xtb s LYS 1361Ca 0.43 -1.44 0.00 0.00 -1.36 0.00 0.00 55.97 53.60 1xtb s LYS 1361Cb 0.09 -0.67 0.00 0.00 -1.68 0.00 0.00 37.83 35.57 1xtb s LYS 1361CO -0.02 0.09 0.57 2.48 -0.76 0.00 0.00 175.35 177.71 1xtb n TYR 1362N -0.13 0.00 -4.95 3.18 0.18 -1.26 -4.74 117.16 109.44 1xtb n TYR 1362Ca -0.11 -0.11 -0.29 0.00 1.88 0.00 0.00 57.90 59.28 1xtb n TYR 1362Cb 0.60 -0.01 -0.17 0.00 -0.38 0.00 0.00 39.34 39.38 1xtb n TYR 1362CO 0.00 0.00 0.00 0.42 -2.08 0.00 0.00 176.86 175.20 1xtb s ILE 1363N -0.22 1.66 0.74 -3.48 -1.09 -1.26 -1.05 121.20 116.49 1xtb s ILE 1363Ca 0.00 -0.79 -0.10 0.00 -2.23 0.00 0.00 60.65 57.53 1xtb s ILE 1363Cb 0.00 -1.45 0.06 0.00 -1.58 0.00 0.00 42.46 39.48 1xtb s ILE 1363CO 0.00 0.47 1.09 0.42 -1.23 0.00 0.00 174.94 175.69 1xtb s THR 1364N 0.42 2.47 0.54 2.92 -4.23 0.52 -4.52 115.64 113.76 1xtb s THR 1364Ca -0.15 -0.02 0.42 0.00 -1.18 0.00 0.00 61.69 60.76 1xtb s THR 1364Cb -0.16 -3.11 0.43 0.00 1.34 0.00 0.00 72.50 70.99 1xtb s THR 1364CO 0.06 -0.14 2.29 0.11 -0.54 0.00 0.00 174.62 176.40 1xtb h LYS 1365N -0.76 0.00 -0.01 3.99 1.57 -1.31 0.72 116.57 120.77 1xtb h LYS 1365Ca -0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 1xtb h LYS 1365Cb 1.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.62 1xtb h LYS 1365CO 0.63 0.00 -0.18 -1.13 -0.57 0.00 0.00 179.45 178.20 1xtb n SER 1366N -3.02 1.24 0.00 0.86 3.41 -1.26 -4.93 113.62 109.92 1xtb n SER 1366Ca -0.02 -1.12 0.00 0.00 -0.26 0.00 0.00 58.87 57.47 1xtb n SER 1366Cb 0.09 0.10 0.00 0.00 -0.26 0.00 0.00 64.21 64.15 1xtb n SER 1366CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xtb n GLY 1367N 1.29 0.84 3.79 5.00 0.00 0.25 -5.05 105.19 111.31 1xtb n GLY 1367Ca 0.14 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.81 1xtb n GLY 1367CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xtb s ALA 1368N -2.43 2.96 0.00 4.61 0.00 -1.26 -4.71 121.76 120.94 1xtb s ALA 1368Ca 0.00 0.63 -0.26 0.00 0.00 0.00 0.00 51.96 52.34 1xtb s ALA 1368Cb 0.00 -3.26 -0.04 0.00 0.00 0.00 0.00 23.12 19.82 1xtb s ALA 1368CO 0.00 -0.25 0.80 0.50 0.00 0.00 0.00 175.76 176.81 1xtb s ARG 1369N -2.94 4.50 0.56 0.00 3.52 -1.26 -0.36 118.95 122.97 1xtb s ARG 1369Ca 0.63 1.11 -0.21 0.00 -0.13 0.00 0.00 55.73 57.13 1xtb s ARG 1369Cb -0.18 -3.41 -0.04 0.00 -1.56 0.00 0.00 34.95 29.75 1xtb s ARG 1369CO 0.22 0.14 1.33 0.14 -0.81 0.00 0.00 175.30 176.32 1xtb s VAL 1370N 0.46 2.16 -0.21 7.11 -7.23 -0.21 -4.51 120.40 117.96 1xtb s VAL 1370Ca 0.42 0.12 0.12 0.00 -1.81 0.00 0.00 61.98 60.83 1xtb s VAL 1370Cb -0.20 -3.06 0.43 0.00 0.56 0.00 0.00 36.38 34.12 1xtb s VAL 1370CO 0.23 -0.01 1.20 -0.90 -0.31 0.00 0.00 175.10 175.32 1xtb n ASP 1371N -1.16 2.30 -3.91 4.85 5.75 -1.26 -5.01 116.55 118.11 1xtb n ASP 1371Ca 0.11 -3.60 -0.09 0.00 -0.01 0.00 0.00 54.79 51.20 1xtb n ASP 1371Cb 0.46 -0.46 -0.05 0.00 -1.03 0.00 0.00 41.12 40.04 1xtb n ASP 1371CO 0.00 0.00 0.00 -1.38 -0.11 0.00 0.00 177.20 175.71 1xtb s HIS 1372N -2.98 0.18 0.54 2.11 -3.43 -1.26 -5.04 115.29 105.40 1xtb s HIS 1372Ca 0.40 -0.55 -0.19 0.00 -0.80 0.00 0.00 55.06 53.92 1xtb s HIS 1372Cb 0.38 0.25 -0.06 0.00 -1.43 0.00 0.00 32.58 31.72 1xtb s HIS 1372CO -0.06 -0.95 1.08 -0.65 -2.00 0.00 0.00 174.74 172.17 1xtb s GLN 1373N -3.96 3.48 0.00 -0.38 -1.52 -1.26 -5.06 119.66 110.97 1xtb s GLN 1373Ca 0.17 1.44 0.00 0.00 -1.95 0.00 0.00 55.36 55.02 1xtb s GLN 1373Cb -0.01 -2.04 0.00 0.00 -0.22 0.00 0.00 33.01 30.74 1xtb s GLN 1373CO 0.04 -0.71 0.00 0.25 -0.25 0.00 0.00 175.29 174.62 1xtb n THR 1374N -1.35 0.00 -1.47 -0.19 -2.24 -1.26 -4.87 114.28 102.91 1xtb n THR 1374Ca 0.10 0.00 -0.47 0.00 -2.27 0.00 0.00 64.05 61.41 1xtb n THR 1374Cb 0.52 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.72 1xtb n THR 1374CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xtb n GLY 1375N 4.94 -1.15 3.95 3.38 0.00 -0.43 -4.99 105.19 110.89 1xtb n GLY 1375Ca 0.00 0.36 -0.24 0.00 0.00 0.00 0.00 46.02 46.14 1xtb n GLY 1375CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1xtb s PRO 1376N -1.12 2.70 -0.26 1.61 0.04 -1.26 -4.82 135.00 131.89 1xtb s PRO 1376Ca 0.64 -0.41 -0.25 0.00 0.04 0.00 0.00 61.00 61.01 1xtb s PRO 1376Cb -0.87 -2.39 0.00 0.00 0.04 0.00 0.00 34.50 31.28 1xtb s PRO 1376CO 0.57 -0.70 0.87 0.42 0.04 0.00 0.00 177.00 178.21 1xtb s ILE 1377N -2.86 4.77 -0.05 0.56 1.01 0.04 -4.63 121.20 120.04 1xtb s ILE 1377Ca 0.55 1.57 -0.14 0.00 0.00 0.00 0.00 60.65 62.63 1xtb s ILE 1377Cb -0.10 -4.18 -0.05 0.00 0.01 0.00 0.00 42.46 38.13 1xtb s ILE 1377CO 0.41 -0.17 0.36 -0.69 0.00 0.00 0.00 174.94 174.85 1xtb s VAL 1378N 3.00 5.15 0.27 2.92 1.01 -1.26 -1.16 120.40 130.33 1xtb s VAL 1378Ca 0.37 0.72 -0.21 0.00 0.00 0.00 0.00 61.98 62.86 1xtb s VAL 1378Cb -0.15 -3.66 0.04 0.00 0.00 0.00 0.00 36.38 32.61 1xtb s VAL 1378CO 0.09 0.54 0.80 -1.66 0.00 0.00 0.00 175.10 174.87 1xtb s TRP 1379N -0.73 -0.10 0.00 5.22 1.48 -0.88 -4.75 118.94 119.18 1xtb s TRP 1379Ca 0.22 -0.37 0.00 0.00 -1.06 0.00 0.00 56.10 54.88 1xtb s TRP 1379Cb -0.15 0.72 0.00 0.00 -1.16 0.00 0.00 33.47 32.88 1xtb s TRP 1379CO 0.10 -1.22 0.00 0.41 -4.06 0.00 0.00 176.95 172.19 1xtb n GLY 1380N -0.49 2.76 3.10 3.67 0.00 -1.26 -0.80 105.19 112.17 1xtb n GLY 1380Ca -0.05 -1.54 -0.08 0.00 0.00 0.00 0.00 46.02 44.35 1xtb n GLY 1380CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xtb s GLU 1381N -1.97 0.61 0.69 1.61 0.41 -1.25 -4.77 118.70 114.02 1xtb s GLU 1381Ca 0.00 -1.03 -0.16 0.00 -0.41 0.00 0.00 54.97 53.37 1xtb s GLU 1381Cb 0.00 0.22 0.02 0.00 -1.78 0.00 0.00 34.13 32.59 1xtb s GLU 1381CO 0.00 -0.13 1.25 -1.25 -0.49 0.00 0.00 175.26 174.64 1xtb s PRO 1382N -3.39 2.30 -0.01 0.39 0.05 -1.26 -4.39 135.00 128.69 1xtb s PRO 1382Ca 0.02 1.93 -0.17 0.00 0.05 0.00 0.00 61.00 62.83 1xtb s PRO 1382Cb 0.04 -1.83 -0.06 0.00 0.05 0.00 0.00 34.50 32.70 1xtb s PRO 1382CO -0.08 -1.75 0.46 0.20 0.05 0.00 0.00 177.00 175.88 1xtb s GLY 1383N -1.69 2.51 0.00 0.56 0.00 -0.62 -2.50 107.32 105.58 1xtb s GLY 1383Ca 0.79 -0.15 0.19 0.00 0.00 0.00 0.00 44.72 45.55 1xtb s GLY 1383CO 0.43 0.36 0.87 -1.30 0.00 0.00 0.00 173.10 173.46 1xtb n THR 1384N 2.20 0.00 -0.28 0.90 -2.24 -1.26 -4.12 114.28 109.48 1xtb n THR 1384Ca -0.12 -0.17 0.10 0.00 -2.27 0.00 0.00 64.05 61.59 1xtb n THR 1384Cb 0.52 1.10 0.24 0.00 -2.10 0.00 0.00 70.33 70.09 1xtb n THR 1384CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 1xtb h ASN 1385N 0.98 0.05 -0.89 3.42 2.35 -1.93 0.66 115.58 120.22 1xtb h ASN 1385Ca 0.00 0.17 0.12 0.00 -0.55 0.00 0.00 56.30 56.04 1xtb h ASN 1385Cb 0.54 0.22 -0.07 0.00 0.05 0.00 0.00 38.32 39.06 1xtb h ASN 1385CO 0.00 -0.08 0.57 1.23 -1.65 0.00 0.00 177.43 177.50 1xtb h GLY 1386N 0.27 1.25 1.50 2.83 0.00 -1.77 -0.70 103.07 106.44 1xtb h GLY 1386Ca 0.49 -0.34 0.04 0.00 0.00 0.00 0.00 47.33 47.53 1xtb h GLY 1386CO -0.57 0.15 0.21 1.46 0.00 0.00 0.00 176.54 177.79 1xtb h GLN 1387N 0.79 0.00 -0.01 4.80 4.20 -1.18 0.19 115.11 123.90 1xtb h GLN 1387Ca 0.43 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.14 1xtb h GLN 1387Cb 0.54 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.32 1xtb h GLN 1387CO -0.19 0.00 -0.35 0.72 -0.67 0.00 0.00 178.83 178.34 1xtb n HIS 1388N -3.51 0.00 -0.03 2.96 8.25 -0.31 -4.56 115.22 118.01 1xtb n HIS 1388Ca 0.01 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.40 1xtb n HIS 1388Cb 0.32 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.41 1xtb n HIS 1388CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1xtb n ALA 1389N -0.09 1.84 -0.06 -1.41 0.00 0.54 -4.96 120.51 116.38 1xtb n ALA 1389Ca 0.07 -0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.03 1xtb n ALA 1389Cb 0.36 0.15 0.00 0.00 0.00 0.00 0.00 19.45 19.96 1xtb n ALA 1389CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 1xtb n PHE 1390N -3.99 0.00 0.26 0.00 1.16 -0.44 -4.76 117.46 109.69 1xtb n PHE 1390Ca -0.11 0.00 0.18 0.00 -1.87 0.00 0.00 57.45 55.65 1xtb n PHE 1390Cb 0.34 0.00 0.86 0.00 -1.61 0.00 0.00 39.48 39.07 1xtb n PHE 1390CO 0.00 0.00 0.00 1.88 -1.87 0.00 0.00 176.76 176.77 1xtb h TYR 1391N 0.00 0.00 -0.67 2.97 -1.99 -1.71 -0.06 116.97 115.51 1xtb h TYR 1391Ca 0.00 0.00 0.10 0.00 2.00 0.00 0.00 58.73 60.83 1xtb h TYR 1391Cb 0.03 0.00 -0.08 0.00 2.00 0.00 0.00 36.73 38.68 1xtb h TYR 1391CO 0.00 0.00 0.28 0.37 -0.00 0.00 0.00 178.16 178.81 1xtb h GLN 1392N 0.00 0.46 -0.19 4.88 5.75 -1.85 0.79 115.11 124.95 1xtb h GLN 1392Ca 0.06 -0.03 -0.17 0.00 -0.15 0.00 0.00 58.65 58.36 1xtb h GLN 1392Cb 0.63 -0.10 -0.00 0.00 1.07 0.00 0.00 27.48 29.08 1xtb h GLN 1392CO -0.00 0.31 -0.58 1.25 -2.65 0.00 0.00 178.83 177.15 1xtb h LEU 1393N 0.48 0.67 -0.68 -2.39 6.46 -1.35 0.39 115.31 118.89 1xtb h LEU 1393Ca 0.34 -0.37 -0.08 0.00 -0.12 0.00 0.00 57.88 57.65 1xtb h LEU 1393Cb 0.42 -0.19 -0.03 0.00 -0.73 0.00 0.00 40.66 40.13 1xtb h LEU 1393CO -0.31 1.10 0.12 0.40 -0.62 0.00 0.00 178.44 179.13 1xtb h ILE 1394N 0.45 1.26 0.02 4.05 2.04 -1.33 0.37 117.51 124.37 1xtb h ILE 1394Ca 0.00 -1.03 -0.12 0.00 1.00 0.00 0.00 64.86 64.71 1xtb h ILE 1394Cb 1.14 0.62 0.01 0.00 -0.74 0.00 0.00 36.82 37.85 1xtb h ILE 1394CO 0.11 0.39 -0.49 0.45 0.00 0.00 0.00 178.15 178.61 1xtb h HIS 1395N 1.04 0.46 0.00 1.37 3.86 -0.79 -3.40 115.15 117.68 1xtb h HIS 1395Ca 0.21 -0.26 -0.03 0.00 -1.16 0.00 0.00 60.37 59.13 1xtb h HIS 1395Cb 0.43 -0.05 -0.06 0.00 1.06 0.00 0.00 27.41 28.80 1xtb h HIS 1395CO 0.03 1.09 -0.39 1.04 0.86 0.00 0.00 177.93 180.56 1xtb n GLN 1396N -4.32 0.96 -0.10 2.45 6.02 0.12 -4.70 117.38 117.81 1xtb n GLN 1396Ca -0.11 -2.43 0.00 0.00 -0.01 0.00 0.00 57.00 54.45 1xtb n GLN 1396Cb 0.63 -1.14 0.00 0.00 1.02 0.00 0.00 30.24 30.75 1xtb n GLN 1396CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1xtb n GLY 1397N -0.80 0.08 0.38 1.08 0.00 0.13 -4.91 105.19 101.15 1xtb n GLY 1397Ca 0.13 -1.79 0.08 0.00 0.00 0.00 0.00 46.02 44.44 1xtb n GLY 1397CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1xtb n THR 1398N -0.47 1.79 -4.94 2.61 -2.24 -1.26 -5.01 114.28 104.76 1xtb n THR 1398Ca 0.00 -1.82 -0.31 0.00 -2.27 0.00 0.00 64.05 59.64 1xtb n THR 1398Cb 0.00 -0.06 -0.14 0.00 -2.10 0.00 0.00 70.33 68.03 1xtb n THR 1398CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1xtb s LYS 1399N -2.38 2.18 -0.22 -0.78 3.01 -1.26 -5.10 119.74 115.18 1xtb s LYS 1399Ca 0.29 -0.89 -0.19 0.00 -1.01 0.00 0.00 55.97 54.18 1xtb s LYS 1399Cb 0.24 -2.18 -0.03 0.00 -1.01 0.00 0.00 37.83 34.85 1xtb s LYS 1399CO 0.06 0.57 0.53 1.41 0.51 0.00 0.00 175.35 178.43 1xtb s MET 1400N -0.97 4.15 -0.28 1.68 -2.45 -1.26 -4.94 119.30 115.24 1xtb s MET 1400Ca 0.12 0.41 -0.00 0.00 -1.25 0.00 0.00 55.69 54.97 1xtb s MET 1400Cb -0.10 -3.59 0.08 0.00 1.25 0.00 0.00 34.83 32.47 1xtb s MET 1400CO 0.02 -0.22 0.04 0.42 1.05 0.00 0.00 175.02 176.33 1xtb s ILE 1401N 1.88 1.15 0.29 10.11 1.01 -1.26 -4.71 121.20 129.67 1xtb s ILE 1401Ca 0.24 -1.33 -0.30 0.00 0.00 0.00 0.00 60.65 59.26 1xtb s ILE 1401Cb -0.15 -1.72 -0.11 0.00 0.01 0.00 0.00 42.46 40.49 1xtb s ILE 1401CO 0.09 -0.45 1.52 -2.84 0.00 0.00 0.00 174.94 173.26 1xtb s PRO 1402N 1.51 4.18 -0.03 2.79 0.02 -1.26 -4.80 135.00 137.42 1xtb s PRO 1402Ca 0.04 2.47 0.05 0.00 0.02 0.00 0.00 61.00 63.57 1xtb s PRO 1402Cb -0.18 -3.05 -0.01 0.00 0.02 0.00 0.00 34.50 31.28 1xtb s PRO 1402CO -0.15 -0.53 -0.17 0.00 -0.33 0.00 0.00 177.00 175.82 1xtb s ASP 1404N -0.15 5.27 -0.23 0.00 1.11 0.07 -0.72 116.67 122.03 1xtb s ASP 1404Ca 0.01 -0.92 -0.11 0.00 0.18 0.00 0.00 52.55 51.71 1xtb s ASP 1404Cb -0.09 -1.89 -0.05 0.00 1.07 0.00 0.00 42.92 41.96 1xtb s ASP 1404CO 0.01 -0.27 0.20 -0.36 1.18 0.00 0.00 175.17 175.93 1xtb s PHE 1405N 1.47 3.33 0.06 4.23 0.40 0.41 -0.21 117.98 127.66 1xtb s PHE 1405Ca 0.01 0.31 0.07 0.00 -0.60 0.00 0.00 56.93 56.72 1xtb s PHE 1405Cb -0.18 -2.31 -0.03 0.00 0.51 0.00 0.00 43.02 41.01 1xtb s PHE 1405CO 0.03 0.07 -0.20 -0.51 0.70 0.00 0.00 175.22 175.31 1xtb s LEU 1406N 1.05 2.20 -0.25 -0.37 1.02 -0.96 0.14 118.68 121.52 1xtb s LEU 1406Ca 0.10 -0.56 -0.26 0.00 0.02 0.00 0.00 54.13 53.43 1xtb s LEU 1406Cb -0.14 -0.91 0.13 0.00 0.02 0.00 0.00 46.19 45.29 1xtb s LEU 1406CO 0.05 0.12 1.03 -0.51 0.02 0.00 0.00 176.35 177.06 1xtb s ILE 1407N -0.90 0.00 -0.01 -0.59 2.07 -0.85 0.50 121.20 121.42 1xtb s ILE 1407Ca 0.06 0.00 -0.15 0.00 -1.41 0.00 0.00 60.65 59.15 1xtb s ILE 1407Cb -0.09 -1.00 -0.06 0.00 0.13 0.00 0.00 42.46 41.44 1xtb s ILE 1407CO 0.02 0.00 0.42 -2.16 -1.91 0.00 0.00 174.94 171.31 1xtb s PRO 1408N -0.16 3.98 0.14 3.50 0.04 -1.26 -2.18 135.00 139.06 1xtb s PRO 1408Ca 0.02 0.43 -0.16 0.00 0.04 0.00 0.00 61.00 61.33 1xtb s PRO 1408Cb -0.04 -3.25 -0.00 0.00 0.04 0.00 0.00 34.50 31.25 1xtb s PRO 1408CO -0.04 0.62 1.69 0.28 0.04 0.00 0.00 177.00 179.59 1xtb h VAL 1409N 3.82 1.19 -3.16 -0.36 2.07 -0.05 -3.42 116.25 116.34 1xtb h VAL 1409Ca -0.50 -0.58 -0.61 0.00 0.82 0.00 0.00 66.70 65.83 1xtb h VAL 1409Cb 1.21 0.82 -0.10 0.00 -1.52 0.00 0.00 31.29 31.70 1xtb h VAL 1409CO 0.63 0.21 -0.44 -1.10 0.02 0.00 0.00 177.57 176.90 1xtb s GLN 1410N -5.59 4.07 0.28 1.57 -0.21 0.47 -5.02 119.66 115.23 1xtb s GLN 1410Ca -0.13 -0.11 -0.04 0.00 0.02 0.00 0.00 55.36 55.10 1xtb s GLN 1410Cb 0.10 -3.38 -0.05 0.00 1.00 0.00 0.00 33.01 30.68 1xtb s GLN 1410CO 0.75 0.38 0.53 -0.08 -2.12 0.00 0.00 175.29 174.75 1xtb s THR 1411N 0.11 5.05 -0.83 -0.19 -1.32 -1.26 -4.45 115.64 112.74 1xtb s THR 1411Ca 0.12 -0.00 0.27 0.00 -1.21 0.00 0.00 61.69 60.87 1xtb s THR 1411Cb -0.12 -3.73 0.27 0.00 -1.51 0.00 0.00 72.50 67.41 1xtb s THR 1411CO 0.01 -0.30 1.83 0.00 -2.21 0.00 0.00 174.62 173.95 1xtb n GLN 1412N -0.90 0.16 -3.41 7.08 1.13 -1.26 -4.32 117.38 115.87 1xtb n GLN 1412Ca -0.02 0.14 -0.27 0.00 -1.94 0.00 0.00 57.00 54.91 1xtb n GLN 1412Cb 0.54 -1.69 -0.10 0.00 0.11 0.00 0.00 30.24 29.10 1xtb n GLN 1412CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 1xtb n HIS 1413N -1.98 -0.26 -0.96 1.08 8.25 -1.26 -5.02 115.22 115.08 1xtb n HIS 1413Ca 0.06 -3.48 -0.23 0.00 -0.26 0.00 0.00 57.72 53.81 1xtb n HIS 1413Cb 0.40 0.04 -0.07 0.00 1.12 0.00 0.00 29.99 31.47 1xtb n HIS 1413CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1xtb n PRO 1414N 2.44 2.46 -1.16 -0.41 -0.04 -1.26 -4.90 135.00 132.13 1xtb n PRO 1414Ca 0.27 -1.45 -0.30 0.00 -0.04 0.00 0.00 63.50 61.98 1xtb n PRO 1414Cb 0.47 -2.35 0.13 0.00 -0.04 0.00 0.00 33.50 31.72 1xtb n PRO 1414CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 1xtb s ILE 1415N 2.16 2.74 -1.32 0.52 -4.36 -1.26 -2.92 121.20 116.75 1xtb s ILE 1415Ca 0.56 0.24 -0.06 0.00 -0.26 0.00 0.00 60.65 61.13 1xtb s ILE 1415Cb 0.19 -2.68 0.04 0.00 1.25 0.00 0.00 42.46 41.27 1xtb s ILE 1415CO -0.03 -0.31 0.41 0.54 0.24 0.00 0.00 174.94 175.79 1xtb n ARG 1416N -3.87 -3.52 -3.83 0.37 5.12 -1.26 -0.81 116.66 108.86 1xtb n ARG 1416Ca 0.08 0.63 -0.28 0.00 -1.93 0.00 0.00 57.85 56.34 1xtb n ARG 1416Cb 0.54 -5.36 0.04 0.00 -1.16 0.00 0.00 32.46 26.53 1xtb n ARG 1416CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 1xtb n LYS 1417N -3.61 -5.93 -0.88 5.56 5.02 -1.22 -2.04 118.16 115.06 1xtb n LYS 1417Ca -0.07 0.65 0.00 0.00 -2.02 0.00 0.00 58.31 56.86 1xtb n LYS 1417Cb 0.58 -5.53 0.00 0.00 -0.02 0.00 0.00 35.03 30.06 1xtb n LYS 1417CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xtb n GLY 1418N -1.73 0.77 0.18 0.72 0.00 0.01 -4.95 105.19 100.18 1xtb n GLY 1418Ca -0.01 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 1xtb n GLY 1418CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1xtb h LEU 1419N 0.00 0.25 -0.32 0.99 5.85 -1.39 -0.13 115.31 120.57 1xtb h LEU 1419Ca 0.00 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 1xtb h LEU 1419Cb 0.00 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 1xtb h LEU 1419CO 0.00 0.18 0.17 0.45 -0.34 0.00 0.00 178.44 178.90 1xtb h HIS 1420N 0.38 0.45 -0.10 1.25 3.86 -1.85 -2.39 115.15 116.75 1xtb h HIS 1420Ca 0.18 -0.01 -0.10 0.00 -1.16 0.00 0.00 60.37 59.28 1xtb h HIS 1420Cb 0.12 -0.14 -0.01 0.00 1.06 0.00 0.00 27.41 28.44 1xtb h HIS 1420CO -0.12 0.37 -0.37 1.25 0.86 0.00 0.00 177.93 179.92 1xtb h HIS 1421N 0.39 0.24 -0.36 2.45 -0.00 -1.83 -1.10 115.15 114.93 1xtb h HIS 1421Ca 0.11 -0.06 -0.00 0.00 -0.00 0.00 0.00 60.37 60.42 1xtb h HIS 1421Cb 0.08 -0.05 -0.02 0.00 -0.00 0.00 0.00 27.41 27.42 1xtb h HIS 1421CO -0.03 0.56 0.21 -0.22 -0.00 0.00 0.00 177.93 178.45 1xtb h LYS 1422N 0.18 0.49 -0.54 5.26 3.64 -0.77 0.44 116.57 125.27 1xtb h LYS 1422Ca 0.02 -0.05 -0.10 0.00 -1.27 0.00 0.00 60.65 59.25 1xtb h LYS 1422Cb 0.74 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.44 1xtb h LYS 1422CO 0.06 0.39 -0.06 0.82 -2.27 0.00 0.00 179.45 178.38 1xtb h ILE 1423N 0.46 1.26 -0.48 2.00 2.04 -1.14 -1.13 117.51 120.52 1xtb h ILE 1423Ca 0.13 -1.19 -0.02 0.00 1.00 0.00 0.00 64.86 64.78 1xtb h ILE 1423Cb 0.03 0.91 -0.02 0.00 -0.74 0.00 0.00 36.82 37.00 1xtb h ILE 1423CO -0.02 0.42 0.23 0.25 0.00 0.00 0.00 178.15 179.03 1xtb h LEU 1424N 0.88 0.63 -0.68 1.44 5.85 -0.81 -1.96 115.31 120.67 1xtb h LEU 1424Ca 0.15 -0.13 -0.05 0.00 0.84 0.00 0.00 57.88 58.68 1xtb h LEU 1424Cb 0.60 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.44 1xtb h LEU 1424CO 0.04 0.59 0.22 -0.07 -0.34 0.00 0.00 178.44 178.87 1xtb h LEU 1425N 0.63 0.98 -1.04 2.25 3.38 -0.75 -1.41 115.31 119.36 1xtb h LEU 1425Ca 0.16 -0.21 0.02 0.00 0.09 0.00 0.00 57.88 57.95 1xtb h LEU 1425Cb 0.13 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.57 1xtb h LEU 1425CO -0.02 0.93 0.65 0.00 0.09 0.00 0.00 178.44 180.08 1xtb h ALA 1426N 1.09 1.32 -0.16 1.53 0.00 -0.87 -1.68 119.26 120.50 1xtb h ALA 1426Ca 0.22 -0.06 -0.17 0.00 0.00 0.00 0.00 54.91 54.90 1xtb h ALA 1426Cb 0.29 -0.38 0.01 0.00 0.00 0.00 0.00 17.79 17.71 1xtb h ALA 1426CO -0.01 0.61 -0.56 -0.91 0.00 0.00 0.00 179.25 178.38 1xtb h ASN 1427N 1.30 0.77 -0.53 0.00 2.35 -1.11 -0.72 115.58 117.64 1xtb h ASN 1427Ca 0.37 -0.61 0.09 0.00 -0.55 0.00 0.00 56.30 55.60 1xtb h ASN 1427Cb -0.10 -0.22 -0.07 0.00 0.05 0.00 0.00 38.32 37.97 1xtb h ASN 1427CO -0.09 1.24 0.10 0.15 -1.65 0.00 0.00 177.43 177.19 1xtb h PHE 1428N 0.34 0.16 -0.09 1.19 3.57 -0.92 -0.74 116.94 120.46 1xtb h PHE 1428Ca -0.03 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.46 1xtb h PHE 1428Cb 1.19 0.01 -0.00 0.00 2.79 0.00 0.00 35.95 39.94 1xtb h PHE 1428CO 0.10 -0.02 -0.12 -0.07 -2.23 0.00 0.00 178.31 175.97 1xtb h LEU 1429N 0.24 0.26 -0.98 0.59 3.38 -1.29 -3.31 115.31 114.19 1xtb h LEU 1429Ca 0.27 -0.52 -0.01 0.00 0.09 0.00 0.00 57.88 57.71 1xtb h LEU 1429Cb 0.37 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.00 1xtb h LEU 1429CO -0.35 0.72 0.56 0.00 0.09 0.00 0.00 178.44 179.46 1xtb h ALA 1430N 0.54 1.23 -0.31 1.53 0.00 -0.84 -2.46 119.26 118.95 1xtb h ALA 1430Ca 0.01 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 1xtb h ALA 1430Cb 0.66 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1xtb h ALA 1430CO 0.03 0.65 0.19 1.96 0.00 0.00 0.00 179.25 182.08 1xtb h GLN 1431N 1.28 0.42 -0.20 0.00 1.08 -1.23 0.21 115.11 116.66 1xtb h GLN 1431Ca 0.33 -0.04 -0.14 0.00 -1.45 0.00 0.00 58.65 57.36 1xtb h GLN 1431Cb -0.05 -0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 27.28 1xtb h GLN 1431CO -0.06 0.32 -0.45 1.79 -0.95 0.00 0.00 178.83 179.48 1xtb h THR 1432N 0.40 1.31 -0.54 -0.54 1.35 -1.63 -0.38 112.91 112.87 1xtb h THR 1432Ca 0.11 -1.63 -0.03 0.00 -0.55 0.00 0.00 66.41 64.30 1xtb h THR 1432Cb 0.01 1.64 -0.02 0.00 -1.73 0.00 0.00 68.15 68.04 1xtb h THR 1432CO -0.02 0.51 0.21 -0.08 -0.25 0.00 0.00 175.52 175.88 1xtb h GLU 1433N 0.41 0.82 -0.31 4.72 4.81 -1.14 -1.46 114.58 122.43 1xtb h GLU 1433Ca 0.03 -0.16 -0.02 0.00 -0.13 0.00 0.00 59.36 59.08 1xtb h GLU 1433Cb 0.94 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.18 1xtb h GLU 1433CO 0.08 0.72 0.11 0.00 -0.73 0.00 0.00 179.01 179.19 1xtb h ALA 1434N 1.06 0.40 -0.52 2.92 0.00 -0.31 0.19 119.26 123.00 1xtb h ALA 1434Ca 0.18 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.96 1xtb h ALA 1434Cb 0.22 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 1xtb h ALA 1434CO -0.01 0.02 0.35 -0.07 0.00 0.00 0.00 179.25 179.54 1xtb h LEU 1435N 0.34 0.58 0.04 0.00 3.38 -0.89 0.64 115.31 119.41 1xtb h LEU 1435Ca 0.10 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 1xtb h LEU 1435Cb 0.22 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1xtb h LEU 1435CO -0.01 0.42 -0.02 -0.03 0.09 0.00 0.00 178.44 178.89 1xtb h MET 1436N 0.69 -0.06 -0.05 1.13 4.05 -0.93 -1.16 114.93 118.60 1xtb h MET 1436Ca 0.19 0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.60 1xtb h MET 1436Cb -0.05 0.01 -0.00 0.00 -0.80 0.00 0.00 31.60 30.76 1xtb h MET 1436CO -0.04 0.48 -0.06 -0.22 0.23 0.00 0.00 176.91 177.30 1xtb h LYS 1437N -0.96 0.13 0.00 0.39 3.64 -0.58 -2.53 116.57 116.66 1xtb h LYS 1437Ca -0.01 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 1xtb h LYS 1437Cb 0.56 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.38 1xtb h LYS 1437CO 0.01 0.59 0.00 0.41 -2.27 0.00 0.00 179.45 178.19 1xtb n GLY 1438N 0.25 -0.63 3.12 5.01 0.00 0.21 -4.68 105.19 108.47 1xtb n GLY 1438Ca -0.08 -1.11 -0.05 0.00 0.00 0.00 0.00 46.02 44.78 1xtb n GLY 1438CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1xtb s LYS 1439N 0.00 0.42 0.96 1.61 2.20 0.16 -4.90 119.74 120.19 1xtb s LYS 1439Ca 0.00 0.85 -0.12 0.00 -0.36 0.00 0.00 55.97 56.34 1xtb s LYS 1439Cb 0.00 0.08 0.17 0.00 -1.51 0.00 0.00 37.83 36.57 1xtb s LYS 1439CO 0.00 -0.51 1.09 -1.54 -0.36 0.00 0.00 175.35 174.03 1xtb s SER 1440N 2.67 2.92 0.16 1.43 1.04 -1.26 -0.82 113.70 119.83 1xtb s SER 1440Ca 0.10 1.35 -0.16 0.00 0.48 0.00 0.00 55.95 57.72 1xtb s SER 1440Cb -0.14 -2.02 0.07 0.00 0.10 0.00 0.00 66.02 64.02 1xtb s SER 1440CO -0.17 -2.97 1.77 0.74 0.98 0.00 0.00 173.24 173.59 1xtb h THR 1441N -1.78 0.93 -0.63 2.02 2.02 -1.95 0.71 112.91 114.24 1xtb h THR 1441Ca -0.52 -0.12 -0.06 0.00 0.77 0.00 0.00 66.41 66.48 1xtb h THR 1441Cb 1.31 0.56 -0.03 0.00 -1.74 0.00 0.00 68.15 68.25 1xtb h THR 1441CO 0.56 0.06 0.17 -0.33 0.37 0.00 0.00 175.52 176.35 1xtb h GLU 1442N 0.35 0.97 -0.30 6.66 4.39 -1.99 0.19 114.58 124.85 1xtb h GLU 1442Ca 0.17 -0.21 -0.04 0.00 0.34 0.00 0.00 59.36 59.62 1xtb h GLU 1442Cb 0.11 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 28.61 1xtb h GLU 1442CO -0.15 0.85 0.02 0.93 -1.16 0.00 0.00 179.01 179.50 1xtb h GLU 1443N 0.93 0.51 -0.40 2.33 5.08 -1.78 -1.94 114.58 119.31 1xtb h GLU 1443Ca 0.20 -0.15 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 1xtb h GLU 1443Cb 0.31 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 1xtb h GLU 1443CO -0.00 0.64 0.21 0.00 -1.00 0.00 0.00 179.01 178.86 1xtb h ALA 1444N 0.85 0.51 -0.29 3.43 0.00 -0.51 -2.66 119.26 120.59 1xtb h ALA 1444Ca 0.09 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 54.94 1xtb h ALA 1444Cb 0.40 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 1xtb h ALA 1444CO 0.01 0.05 0.09 -0.09 0.00 0.00 0.00 179.25 179.31 1xtb h ARG 1445N 0.51 0.21 -0.99 0.00 2.43 -0.52 -1.07 114.38 114.95 1xtb h ARG 1445Ca 0.14 -0.01 0.09 0.00 -0.81 0.00 0.00 59.98 59.39 1xtb h ARG 1445Cb 0.08 -0.05 -0.07 0.00 -0.42 0.00 0.00 29.97 29.51 1xtb h ARG 1445CO -0.02 0.14 0.63 -0.22 -1.51 0.00 0.00 179.97 178.99 1xtb h LYS 1446N 0.21 1.04 -0.40 0.20 3.64 -1.21 0.29 116.57 120.34 1xtb h LYS 1446Ca 0.13 -0.06 -0.09 0.00 -1.27 0.00 0.00 60.65 59.36 1xtb h LYS 1446Cb 0.11 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 31.68 1xtb h LYS 1446CO -0.14 0.69 -0.09 0.93 -2.27 0.00 0.00 179.45 178.57 1xtb h GLU 1447N 1.07 0.77 -0.61 1.90 5.08 -1.02 -1.58 114.58 120.19 1xtb h GLU 1447Ca 0.45 -0.29 -0.07 0.00 -1.00 0.00 0.00 59.36 58.46 1xtb h GLU 1447Cb 0.32 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.50 1xtb h GLU 1447CO -0.21 0.90 0.11 -0.07 -1.00 0.00 0.00 179.01 178.74 1xtb h LEU 1448N 0.58 0.93 -0.43 1.33 3.38 -0.37 -0.26 115.31 120.48 1xtb h LEU 1448Ca 0.10 -0.20 -0.06 0.00 0.09 0.00 0.00 57.88 57.81 1xtb h LEU 1448Cb 0.61 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 1xtb h LEU 1448CO 0.04 0.93 0.02 1.56 0.09 0.00 0.00 178.44 181.08 1xtb h GLN 1449N 0.93 0.74 0.00 1.13 4.20 -0.87 -2.52 115.11 118.73 1xtb h GLN 1449Ca 0.19 -0.22 -0.06 0.00 0.06 0.00 0.00 58.65 58.62 1xtb h GLN 1449Cb 0.39 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.09 1xtb h GLN 1449CO 0.01 0.80 -0.28 0.00 -0.67 0.00 0.00 178.83 178.69 1xtb h ALA 1450N 0.91 1.33 0.00 3.87 0.00 -1.00 -2.20 119.26 122.17 1xtb h ALA 1450Ca 0.12 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1xtb h ALA 1450Cb 0.45 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1xtb h ALA 1450CO 0.02 0.35 0.00 0.00 0.00 0.00 0.00 179.25 179.62 1xtb n ALA 1451N -2.39 2.45 -1.17 0.00 0.00 -0.13 -4.88 120.51 114.38 1xtb n ALA 1451Ca -0.02 -0.16 -0.01 0.00 0.00 0.00 0.00 53.44 53.26 1xtb n ALA 1451Cb 0.36 -1.44 -0.00 0.00 0.00 0.00 0.00 19.45 18.37 1xtb n ALA 1451CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xtb n GLY 1452N 0.76 0.45 3.77 0.00 0.00 -0.83 -5.03 105.19 104.31 1xtb n GLY 1452Ca 0.18 -1.01 -0.37 0.00 0.00 0.00 0.00 46.02 44.82 1xtb n GLY 1452CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xtb s LYS 1453N -2.37 3.83 0.76 1.61 -0.14 -0.98 -5.03 119.74 117.42 1xtb s LYS 1453Ca 0.00 1.74 -0.11 0.00 -1.36 0.00 0.00 55.97 56.23 1xtb s LYS 1453Cb 0.00 -2.43 0.05 0.00 -1.68 0.00 0.00 37.83 33.76 1xtb s LYS 1453CO 0.00 -0.49 1.10 -1.54 -0.76 0.00 0.00 175.35 173.66 1xtb s SER 1454N -1.39 4.88 0.22 2.83 1.04 -1.26 -4.79 113.70 115.24 1xtb s SER 1454Ca 0.63 1.26 -0.08 0.00 0.48 0.00 0.00 55.95 58.23 1xtb s SER 1454Cb -0.28 -2.02 0.26 0.00 0.10 0.00 0.00 66.02 64.08 1xtb s SER 1454CO 0.34 -1.72 1.84 1.55 0.98 0.00 0.00 173.24 176.23 1xtb h PRO 1455N -0.91 0.81 0.00 4.02 0.13 -1.99 -0.02 132.00 134.04 1xtb h PRO 1455Ca -0.46 -0.05 -0.08 0.00 -0.87 0.00 0.00 66.00 64.54 1xtb h PRO 1455Cb 1.26 -0.18 -0.01 0.00 0.13 0.00 0.00 31.00 32.19 1xtb h PRO 1455CO 0.61 0.54 -0.39 0.93 -0.23 0.00 0.00 178.00 179.46 1xtb h GLU 1456N 0.84 0.00 0.15 0.86 4.39 -1.99 -1.71 114.58 117.12 1xtb h GLU 1456Ca 0.32 0.00 -0.30 0.00 0.34 0.00 0.00 59.36 59.72 1xtb h GLU 1456Cb 0.13 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.78 1xtb h GLU 1456CO -0.16 0.39 -1.39 -0.44 -1.16 0.00 0.00 179.01 176.25 1xtb h ASP 1457N 0.00 0.49 -0.65 1.42 3.45 -1.83 -3.09 116.42 116.21 1xtb h ASP 1457Ca -0.00 -0.57 -0.02 0.00 0.43 0.00 0.00 57.03 56.87 1xtb h ASP 1457Cb 0.97 -0.16 -0.03 0.00 -0.56 0.00 0.00 39.33 39.55 1xtb h ASP 1457CO 0.05 1.45 0.32 0.25 -1.57 0.00 0.00 179.24 179.75 1xtb h LEU 1458N 0.09 0.85 -0.71 1.55 6.46 -0.95 -2.33 115.31 120.26 1xtb h LEU 1458Ca -0.19 -0.12 -0.14 0.00 -0.12 0.00 0.00 57.88 57.31 1xtb h LEU 1458Cb 2.02 -0.22 -0.01 0.00 -0.73 0.00 0.00 40.66 41.72 1xtb h LEU 1458CO 0.20 0.73 -0.52 -0.03 -0.62 0.00 0.00 178.44 178.20 1xtb h MET 1459N 0.90 0.32 0.00 1.25 4.05 -1.39 0.16 114.93 120.22 1xtb h MET 1459Ca 0.23 -0.19 -0.19 0.00 -0.28 0.00 0.00 59.70 59.27 1xtb h MET 1459Cb 0.10 0.02 -0.03 0.00 -0.80 0.00 0.00 31.60 30.89 1xtb h MET 1459CO -0.03 0.77 -0.95 1.57 0.23 0.00 0.00 176.91 178.50 1xtb h LYS 1460N 0.25 0.00 0.12 0.39 2.10 -1.44 -3.36 116.57 114.63 1xtb h LYS 1460Ca 0.01 0.00 -0.33 0.00 -2.00 0.00 0.00 60.65 58.33 1xtb h LYS 1460Cb 1.00 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.32 1xtb h LYS 1460CO 0.09 0.80 -1.73 -0.07 -2.00 0.00 0.00 179.45 176.54 1xtb h LEU 1461N 0.00 0.38 -0.68 7.07 3.38 -1.34 -3.42 115.31 120.70 1xtb h LEU 1461Ca -0.04 -0.65 0.06 0.00 0.09 0.00 0.00 57.88 57.35 1xtb h LEU 1461Cb 1.68 -0.12 -0.08 0.00 0.09 0.00 0.00 40.66 42.23 1xtb h LEU 1461CO 0.11 1.56 -0.40 -0.11 0.09 0.00 0.00 178.44 179.68 1xtb n LEU 1462N -3.43 -0.72 -0.20 1.67 7.94 0.55 -1.38 117.00 121.42 1xtb n LEU 1462Ca -0.22 1.29 0.01 0.00 -1.11 0.00 0.00 56.01 55.98 1xtb n LEU 1462Cb 1.05 -0.19 0.12 0.00 0.53 0.00 0.00 43.42 44.92 1xtb n LEU 1462CO 0.48 -1.03 0.91 -0.65 -1.11 0.00 0.00 177.39 175.99 1xtb h PRO 1463N 0.00 0.23 0.00 1.96 0.11 -1.81 -1.48 132.00 131.01 1xtb h PRO 1463Ca 0.11 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.20 1xtb h PRO 1463Cb 0.28 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 31.34 1xtb h PRO 1463CO -0.64 0.15 -0.01 0.45 -0.21 0.00 0.00 178.00 177.74 1xtb h HIS 1464N 0.24 0.00 -0.08 0.65 3.86 -1.49 -2.60 115.15 115.73 1xtb h HIS 1464Ca 0.33 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.54 1xtb h HIS 1464Cb 0.50 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.97 1xtb h HIS 1464CO -0.26 0.01 0.00 1.63 0.86 0.00 0.00 177.93 180.16 1xtb n LYS 1465N -3.13 1.95 -3.15 2.45 5.02 -0.56 -4.91 118.16 115.82 1xtb n LYS 1465Ca -0.01 -1.40 -0.39 0.00 -2.02 0.00 0.00 58.31 54.49 1xtb n LYS 1465Cb 0.18 -1.46 -0.05 0.00 -0.02 0.00 0.00 35.03 33.68 1xtb n LYS 1465CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1xtb s VAL 1466N -1.92 4.99 -0.27 -0.18 1.01 -0.98 -4.87 120.40 118.18 1xtb s VAL 1466Ca 0.34 1.30 -0.03 0.00 0.00 0.00 0.00 61.98 63.59 1xtb s VAL 1466Cb 0.20 -3.96 0.03 0.00 0.00 0.00 0.00 36.38 32.64 1xtb s VAL 1466CO 0.31 0.34 -0.02 -0.36 0.00 0.00 0.00 175.10 175.37 1xtb s PHE 1467N 0.29 3.11 -0.13 5.22 0.40 -0.00 -4.93 117.98 121.94 1xtb s PHE 1467Ca 0.33 -1.47 0.30 0.00 -0.60 0.00 0.00 56.93 55.49 1xtb s PHE 1467Cb -0.18 -2.11 1.21 0.00 0.51 0.00 0.00 43.02 42.45 1xtb s PHE 1467CO 0.17 -0.70 1.88 0.93 0.70 0.00 0.00 175.22 178.19 1xtb h GLU 1468N 8.06 0.00 0.00 0.44 5.08 -1.84 0.45 114.58 126.77 1xtb h GLU 1468Ca -0.31 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.05 1xtb h GLU 1468Cb 1.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.36 1xtb h GLU 1468CO 0.58 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 179.00 1xtb n GLY 1469N 0.06 2.09 2.62 -3.84 0.00 -1.26 -4.80 105.19 100.06 1xtb n GLY 1469Ca 0.01 -0.44 -0.20 0.00 0.00 0.00 0.00 46.02 45.40 1xtb n GLY 1469CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1xtb n ASN 1470N -0.85 -5.46 -4.42 1.61 5.15 -0.86 -4.93 115.26 105.50 1xtb n ASN 1470Ca 0.00 -0.07 -0.38 0.00 -0.60 0.00 0.00 54.58 53.53 1xtb n ASN 1470Cb 0.00 -4.52 -0.12 0.00 -0.53 0.00 0.00 39.78 34.61 1xtb n ASN 1470CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 1xtb s ARG 1471N -5.27 3.26 0.36 1.20 0.52 -0.49 -4.88 118.95 113.65 1xtb s ARG 1471Ca 0.10 -0.77 -0.28 0.00 -0.52 0.00 0.00 55.73 54.26 1xtb s ARG 1471Cb -0.05 -3.54 -0.10 0.00 0.52 0.00 0.00 34.95 31.78 1xtb s ARG 1471CO 0.12 -0.44 1.37 -1.25 0.02 0.00 0.00 175.30 175.12 1xtb s PRO 1472N 1.59 4.20 0.08 3.54 0.04 -1.26 -3.94 135.00 139.25 1xtb s PRO 1472Ca 0.04 2.33 -0.09 0.00 0.04 0.00 0.00 61.00 63.32 1xtb s PRO 1472Cb -0.17 -2.98 0.00 0.00 0.04 0.00 0.00 34.50 31.39 1xtb s PRO 1472CO 0.06 -0.36 0.20 0.95 0.04 0.00 0.00 177.00 177.88 1xtb s THR 1473N -1.15 0.13 -0.06 1.26 -4.23 -0.64 -3.12 115.64 107.83 1xtb s THR 1473Ca 0.52 -1.09 0.06 0.00 -1.18 0.00 0.00 61.69 59.99 1xtb s THR 1473Cb -0.42 -1.24 -0.01 0.00 1.34 0.00 0.00 72.50 72.17 1xtb s THR 1473CO 0.56 -0.60 -0.24 0.20 -0.54 0.00 0.00 174.62 174.00 1xtb s ASN 1474N -2.69 3.17 -0.22 3.99 0.01 0.11 -4.10 114.94 115.22 1xtb s ASN 1474Ca 0.03 -0.48 -0.02 0.00 -0.71 0.00 0.00 52.86 51.67 1xtb s ASN 1474Cb 0.03 -0.89 0.01 0.00 0.41 0.00 0.00 41.25 40.81 1xtb s ASN 1474CO -0.09 0.25 -0.09 -0.44 -1.51 0.00 0.00 177.10 175.21 1xtb s SER 1475N -0.16 3.97 -0.31 -1.22 0.01 -0.54 -0.45 113.70 115.00 1xtb s SER 1475Ca -0.03 -0.59 -0.02 0.00 1.31 0.00 0.00 55.95 56.62 1xtb s SER 1475Cb -0.14 -1.65 0.05 0.00 0.21 0.00 0.00 66.02 64.50 1xtb s SER 1475CO 0.04 -0.04 0.03 -0.63 0.41 0.00 0.00 173.24 173.04 1xtb s ILE 1476N 1.39 3.08 -0.11 1.44 1.01 0.12 -1.06 121.20 127.07 1xtb s ILE 1476Ca 0.04 -1.42 0.01 0.00 0.00 0.00 0.00 60.65 59.28 1xtb s ILE 1476Cb -0.14 -2.80 -0.02 0.00 0.01 0.00 0.00 42.46 39.51 1xtb s ILE 1476CO -0.06 -0.16 -0.14 -0.69 0.00 0.00 0.00 174.94 173.88 1xtb s VAL 1477N 1.25 3.01 0.06 2.92 1.01 -0.33 -2.01 120.40 126.31 1xtb s VAL 1477Ca -0.04 -0.70 0.05 0.00 0.00 0.00 0.00 61.98 61.29 1xtb s VAL 1477Cb -0.20 -2.23 -0.03 0.00 0.00 0.00 0.00 36.38 33.92 1xtb s VAL 1477CO -0.01 0.54 -0.13 0.72 0.00 0.00 0.00 175.10 176.22 1xtb s PHE 1478N 0.05 1.12 0.20 5.22 -0.12 -0.93 0.67 117.98 124.20 1xtb s PHE 1478Ca -0.05 -0.43 -0.14 0.00 -0.05 0.00 0.00 56.93 56.26 1xtb s PHE 1478Cb -0.15 -0.64 0.22 0.00 -0.63 0.00 0.00 43.02 41.82 1xtb s PHE 1478CO 0.04 0.03 1.64 1.15 -0.05 0.00 0.00 175.22 178.03 1xtb h THR 1479N 4.39 0.42 -1.93 -4.49 2.02 -1.53 0.38 112.91 112.19 1xtb h THR 1479Ca -0.39 -0.00 -0.04 0.00 0.77 0.00 0.00 66.41 66.75 1xtb h THR 1479Cb 1.19 0.41 -0.20 0.00 -1.74 0.00 0.00 68.15 67.81 1xtb h THR 1479CO 0.41 0.00 0.24 -0.75 0.37 0.00 0.00 175.52 175.80 1xtb s LYS 1480N -6.22 0.96 -1.24 6.66 2.20 -1.26 -0.40 119.74 120.44 1xtb s LYS 1480Ca -0.14 0.31 -0.15 0.00 -0.36 0.00 0.00 55.97 55.62 1xtb s LYS 1480Cb 0.18 0.46 0.13 0.00 -1.51 0.00 0.00 37.83 37.09 1xtb s LYS 1480CO 0.73 -0.29 1.55 -1.17 -0.36 0.00 0.00 175.35 175.82 1xtb s LEU 1481N -1.03 4.57 0.49 5.43 2.96 -1.26 -4.76 118.68 125.09 1xtb s LEU 1481Ca -0.09 -2.77 0.08 0.00 -0.22 0.00 0.00 54.13 51.13 1xtb s LEU 1481Cb -0.01 -2.47 0.04 0.00 0.50 0.00 0.00 46.19 44.26 1xtb s LEU 1481CO 0.08 -0.92 0.67 0.42 -1.32 0.00 0.00 176.35 175.29 1xtb s THR 1482N 2.62 2.66 0.19 3.68 -4.23 -1.26 -4.89 115.64 114.42 1xtb s THR 1482Ca 0.47 -0.96 -0.11 0.00 -1.18 0.00 0.00 61.69 59.91 1xtb s THR 1482Cb -0.00 -2.70 0.11 0.00 1.34 0.00 0.00 72.50 71.24 1xtb s THR 1482CO 0.03 0.00 1.80 -0.65 -0.54 0.00 0.00 174.62 175.26 1xtb h PRO 1483N 0.40 0.59 0.24 3.99 0.11 -1.91 -0.04 132.00 135.38 1xtb h PRO 1483Ca -0.37 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.70 1xtb h PRO 1483Cb 1.28 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1xtb h PRO 1483CO 0.44 0.39 -0.11 0.35 -0.21 0.00 0.00 178.00 178.86 1xtb h PHE 1484N 0.61 -0.29 -0.74 0.65 3.57 -1.86 -1.68 116.94 117.19 1xtb h PHE 1484Ca 0.26 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.74 1xtb h PHE 1484Cb 0.14 0.10 -0.04 0.00 2.79 0.00 0.00 35.95 38.94 1xtb h PHE 1484CO -0.09 -0.14 0.44 0.82 -2.23 0.00 0.00 178.31 177.12 1xtb h ILE 1485N -0.38 1.21 -0.87 1.41 1.08 -1.80 -0.92 117.51 117.25 1xtb h ILE 1485Ca -0.03 -0.48 0.02 0.00 -0.39 0.00 0.00 64.86 63.97 1xtb h ILE 1485Cb 0.29 0.19 -0.05 0.00 -3.07 0.00 0.00 36.82 34.19 1xtb h ILE 1485CO 0.05 0.22 0.57 0.25 -0.69 0.00 0.00 178.15 178.56 1xtb h LEU 1486N 1.01 0.98 -0.66 1.44 5.85 -0.93 0.44 115.31 123.44 1xtb h LEU 1486Ca 0.26 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.95 1xtb h LEU 1486Cb -0.02 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.74 1xtb h LEU 1486CO -0.05 0.70 0.38 1.23 -0.34 0.00 0.00 178.44 180.36 1xtb h GLY 1487N 1.16 0.98 0.96 3.75 0.00 -0.56 -0.48 103.07 108.87 1xtb h GLY 1487Ca 0.33 -0.43 -0.03 0.00 0.00 0.00 0.00 47.33 47.20 1xtb h GLY 1487CO -0.08 0.41 0.17 0.00 0.00 0.00 0.00 176.54 177.04 1xtb h ALA 1488N 1.19 0.60 -0.43 3.60 0.00 -0.44 -1.99 119.26 121.80 1xtb h ALA 1488Ca 0.24 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1xtb h ALA 1488Cb 0.01 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1xtb h ALA 1488CO -0.04 0.22 0.20 -0.07 0.00 0.00 0.00 179.25 179.56 1xtb h LEU 1489N 0.61 0.56 -0.23 0.00 3.38 -0.52 0.05 115.31 119.15 1xtb h LEU 1489Ca 0.15 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 1xtb h LEU 1489Cb 0.22 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1xtb h LEU 1489CO -0.01 0.54 0.09 0.40 0.09 0.00 0.00 178.44 179.54 1xtb h ILE 1490N 0.55 1.18 -0.88 1.22 2.04 -1.04 -2.73 117.51 117.84 1xtb h ILE 1490Ca 0.15 -0.55 0.01 0.00 1.00 0.00 0.00 64.86 65.46 1xtb h ILE 1490Cb 0.13 1.11 -0.04 0.00 -0.74 0.00 0.00 36.82 37.27 1xtb h ILE 1490CO -0.02 0.18 0.57 0.00 0.00 0.00 0.00 178.15 178.88 1xtb h ALA 1491N 0.92 1.35 -0.37 1.87 0.00 -1.23 -1.29 119.26 120.51 1xtb h ALA 1491Ca 0.08 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 54.97 1xtb h ALA 1491Cb 0.20 -0.36 -0.05 0.00 0.00 0.00 0.00 17.79 17.58 1xtb h ALA 1491CO -0.00 0.59 0.07 1.98 0.00 0.00 0.00 179.25 181.89 1xtb h MET 1492N 1.20 0.19 -0.13 0.00 1.85 -0.71 -1.48 114.93 115.85 1xtb h MET 1492Ca 0.32 -0.01 -0.14 0.00 -0.61 0.00 0.00 59.70 59.26 1xtb h MET 1492Cb -0.12 -0.04 -0.01 0.00 0.43 0.00 0.00 31.60 31.86 1xtb h MET 1492CO -0.07 0.13 -0.53 1.88 -0.40 0.00 0.00 176.91 177.92 1xtb h TYR 1493N 0.19 0.45 -0.52 1.39 -1.99 -1.16 -1.90 116.97 113.44 1xtb h TYR 1493Ca 0.18 -0.15 0.04 0.00 2.00 0.00 0.00 58.73 60.80 1xtb h TYR 1493Cb 0.21 -0.09 -0.04 0.00 2.00 0.00 0.00 36.73 38.81 1xtb h TYR 1493CO -0.20 0.82 0.28 0.93 -0.00 0.00 0.00 178.16 179.99 1xtb h GLU 1494N 0.28 0.52 0.00 4.88 5.08 -0.58 -0.63 114.58 124.13 1xtb h GLU 1494Ca 0.01 -0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 58.24 1xtb h GLU 1494Cb 1.03 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.15 1xtb h GLU 1494CO 0.09 0.35 -0.44 0.45 -1.00 0.00 0.00 179.01 178.45 1xtb h HIS 1495N 0.54 0.00 -0.19 4.33 3.86 -1.14 -1.35 115.15 121.21 1xtb h HIS 1495Ca 0.23 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.43 1xtb h HIS 1495Cb 0.12 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.58 1xtb h HIS 1495CO -0.09 0.44 0.10 -0.22 0.86 0.00 0.00 177.93 179.01 1xtb h LYS 1496N 0.00 0.26 -0.89 2.45 3.64 -0.42 -0.03 116.57 121.58 1xtb h LYS 1496Ca -0.00 -0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.38 1xtb h LYS 1496Cb 0.90 -0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 32.62 1xtb h LYS 1496CO 0.06 0.27 0.57 0.82 -2.27 0.00 0.00 179.45 178.90 1xtb h ILE 1497N 0.19 1.13 0.20 2.00 2.04 -0.85 -2.00 117.51 120.23 1xtb h ILE 1497Ca 0.06 -0.38 -0.01 0.00 1.00 0.00 0.00 64.86 65.54 1xtb h ILE 1497Cb 0.09 -0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.10 1xtb h ILE 1497CO -0.01 0.20 -0.10 0.15 0.00 0.00 0.00 178.15 178.40 1xtb h PHE 1498N 1.11 -0.25 -0.47 1.37 3.57 -0.76 -2.09 116.94 119.42 1xtb h PHE 1498Ca 0.36 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.90 1xtb h PHE 1498Cb 0.03 0.08 -0.05 0.00 2.79 0.00 0.00 35.95 38.80 1xtb h PHE 1498CO -0.02 -0.12 0.21 0.28 -2.23 0.00 0.00 178.31 176.43 1xtb h VAL 1499N -0.30 0.92 -0.69 1.41 2.07 -0.67 -1.80 116.25 117.19 1xtb h VAL 1499Ca -0.03 -0.14 -0.02 0.00 0.82 0.00 0.00 66.70 67.33 1xtb h VAL 1499Cb 0.23 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 30.44 1xtb h VAL 1499CO 0.04 0.08 0.34 1.56 0.02 0.00 0.00 177.57 179.61 1xtb h GLN 1500N 0.41 0.98 -0.64 1.57 4.20 -1.32 -1.83 115.11 118.48 1xtb h GLN 1500Ca 0.21 -0.14 0.05 0.00 0.06 0.00 0.00 58.65 58.84 1xtb h GLN 1500Cb 0.16 -0.18 -0.05 0.00 0.30 0.00 0.00 27.48 27.71 1xtb h GLN 1500CO -0.18 0.76 0.36 0.78 -0.67 0.00 0.00 178.83 179.89 1xtb h GLY 1501N 0.95 0.93 0.98 3.46 0.00 -0.86 -0.32 103.07 108.21 1xtb h GLY 1501Ca 0.24 -0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.32 1xtb h GLY 1501CO -0.03 0.16 0.14 -2.08 0.00 0.00 0.00 176.54 174.73 1xtb h VAL 1502N 0.67 1.05 -0.64 4.60 2.07 -0.92 0.21 116.25 123.29 1xtb h VAL 1502Ca 0.28 -0.10 0.02 0.00 0.82 0.00 0.00 66.70 67.73 1xtb h VAL 1502Cb 0.16 0.72 -0.04 0.00 -1.52 0.00 0.00 31.29 30.61 1xtb h VAL 1502CO -0.17 0.05 0.40 0.58 0.02 0.00 0.00 177.57 178.46 1xtb h VAL 1503N 0.30 1.09 0.00 2.57 2.07 -0.80 -0.58 116.25 120.89 1xtb h VAL 1503Ca 0.09 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.33 1xtb h VAL 1503Cb -0.02 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 29.98 1xtb h VAL 1503CO -0.03 0.15 0.00 0.79 0.02 0.00 0.00 177.57 178.50 1xtb n TRP 1504N -4.70 0.00 -3.14 1.57 8.01 -0.18 -4.46 117.44 114.54 1xtb n TRP 1504Ca 0.06 0.00 -0.22 0.00 -1.31 0.00 0.00 57.50 56.03 1xtb n TRP 1504Cb 0.07 -0.38 0.05 0.00 -2.01 0.00 0.00 31.31 29.04 1xtb n TRP 1504CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.69 173.21 1xtb n ASP 1505N -1.38 -6.10 -4.82 -0.99 2.03 0.64 -4.71 116.55 101.23 1xtb n ASP 1505Ca 0.10 -0.34 -0.22 0.00 0.52 0.00 0.00 54.79 54.84 1xtb n ASP 1505Cb 0.26 -4.86 -0.05 0.00 -0.72 0.00 0.00 41.12 35.75 1xtb n ASP 1505CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 1xtb s ILE 1506N -3.20 2.62 -0.58 5.18 -4.36 -0.57 -0.84 121.20 119.44 1xtb s ILE 1506Ca 0.37 -1.49 -0.17 0.00 -0.26 0.00 0.00 60.65 59.09 1xtb s ILE 1506Cb -0.16 -3.01 0.12 0.00 1.25 0.00 0.00 42.46 40.66 1xtb s ILE 1506CO 0.45 -0.03 0.61 0.21 0.24 0.00 0.00 174.94 176.43 1xtb s ASN 1507N -4.02 6.21 0.00 4.36 2.47 -1.26 -4.55 114.94 118.15 1xtb s ASN 1507Ca 0.44 -1.67 0.17 0.00 0.42 0.00 0.00 52.86 52.23 1xtb s ASN 1507Cb -0.01 -2.25 1.03 0.00 -1.45 0.00 0.00 41.25 38.57 1xtb s ASN 1507CO 0.26 -0.97 1.45 -1.20 -3.72 0.00 0.00 177.10 172.92 1xtb n SER 1508N 5.70 0.00 -0.29 -4.21 7.64 -1.26 -3.66 113.62 117.54 1xtb n SER 1508Ca -0.10 -0.51 0.04 0.00 1.01 0.00 0.00 58.87 59.31 1xtb n SER 1508Cb 0.41 -0.02 0.09 0.00 -1.01 0.00 0.00 64.21 63.69 1xtb n SER 1508CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1xtb n PHE 1509N -1.02 0.23 -4.26 1.43 3.01 -1.26 -4.42 117.46 111.17 1xtb n PHE 1509Ca 0.13 -0.62 -0.29 0.00 1.01 0.00 0.00 57.45 57.68 1xtb n PHE 1509Cb 0.06 -0.09 -0.03 0.00 -0.01 0.00 0.00 39.48 39.42 1xtb n PHE 1509CO 0.00 0.00 0.00 -0.40 1.01 0.00 0.00 176.76 177.37 1xtb n ASP 1510N -0.38 3.03 -2.74 4.37 5.68 -1.24 -5.00 116.55 120.28 1xtb n ASP 1510Ca 0.08 -3.03 -0.09 0.00 -0.50 0.00 0.00 54.79 51.25 1xtb n ASP 1510Cb 0.43 0.13 0.08 0.00 -1.14 0.00 0.00 41.12 40.63 1xtb n ASP 1510CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1xtb n GLN 1511N -1.56 0.99 0.20 0.11 0.00 -1.26 -4.81 117.38 111.05 1xtb n GLN 1511Ca -0.10 -1.93 0.14 0.00 0.00 0.00 0.00 57.00 55.11 1xtb n GLN 1511Cb 0.63 -1.09 0.60 0.00 0.00 0.00 0.00 30.24 30.38 1xtb n GLN 1511CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.06 175.57 1xtb h TRP 1512N 3.11 0.00 0.00 2.61 4.06 -1.98 -3.18 115.95 120.57 1xtb h TRP 1512Ca -0.10 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.85 1xtb h TRP 1512Cb 1.09 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.25 1xtb h TRP 1512CO 0.30 0.00 0.00 0.41 -3.56 0.00 0.00 178.44 175.59 1xtb n GLY 1513N -0.07 -0.66 0.05 1.49 0.00 -1.26 -2.59 105.19 102.14 1xtb n GLY 1513Ca 0.01 -0.05 0.11 0.00 0.00 0.00 0.00 46.02 46.09 1xtb n GLY 1513CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1xtb n VAL 1514N -1.30 0.24 -0.00 1.61 0.24 -1.20 -4.54 118.33 113.38 1xtb n VAL 1514Ca 0.05 -0.32 -0.11 0.00 -2.04 0.00 0.00 64.34 61.91 1xtb n VAL 1514Cb 0.09 0.07 -0.05 0.00 -1.47 0.00 0.00 33.84 32.48 1xtb n VAL 1514CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 1xtb h GLU 1515N 0.00 0.12 -0.33 7.34 5.08 -1.75 -3.04 114.58 122.01 1xtb h GLU 1515Ca 0.00 -0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.40 1xtb h GLU 1515Cb 0.81 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.98 1xtb h GLU 1515CO 0.00 0.10 0.05 1.25 -1.00 0.00 0.00 179.01 179.42 1xtb h LEU 1516N 0.11 -0.02 -0.81 1.33 5.85 -1.80 -2.05 115.31 117.92 1xtb h LEU 1516Ca 0.03 0.06 0.04 0.00 0.84 0.00 0.00 57.88 58.86 1xtb h LEU 1516Cb 0.01 0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.07 1xtb h LEU 1516CO -0.01 0.03 0.51 1.23 -0.34 0.00 0.00 178.44 179.86 1xtb h GLY 1517N 0.17 1.19 0.94 3.75 0.00 -1.84 -1.80 103.07 105.48 1xtb h GLY 1517Ca 0.16 -0.38 -0.03 0.00 0.00 0.00 0.00 47.33 47.08 1xtb h GLY 1517CO -0.22 0.30 0.15 0.50 0.00 0.00 0.00 176.54 177.27 1xtb h LYS 1518N 0.97 0.60 -0.43 4.80 1.57 -1.32 -2.16 116.57 120.60 1xtb h LYS 1518Ca 0.34 -0.12 -0.11 0.00 -1.87 0.00 0.00 60.65 58.89 1xtb h LYS 1518Cb 0.07 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.27 1xtb h LYS 1518CO -0.14 0.58 -0.18 -0.56 -0.57 0.00 0.00 179.45 178.59 1xtb h GLN 1519N 0.50 0.82 0.00 3.15 3.07 -1.12 -2.41 115.11 119.12 1xtb h GLN 1519Ca 0.13 -0.31 -0.08 0.00 0.09 0.00 0.00 58.65 58.48 1xtb h GLN 1519Cb 0.21 -0.05 -0.01 0.00 0.08 0.00 0.00 27.48 27.72 1xtb h GLN 1519CO -0.01 0.94 -0.37 -0.07 0.09 0.00 0.00 178.83 179.42 1xtb h LEU 1520N 0.73 0.00 -0.55 0.06 3.38 -1.26 -2.68 115.31 114.99 1xtb h LEU 1520Ca 0.11 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.92 1xtb h LEU 1520Cb 0.70 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 1xtb h LEU 1520CO 0.05 0.37 -0.57 0.00 0.09 0.00 0.00 178.44 178.38 1xtb h ALA 1521N 1.63 0.73 0.00 1.53 0.00 -1.08 -2.66 119.26 119.42 1xtb h ALA 1521Ca -0.00 -0.52 -0.07 0.00 0.00 0.00 0.00 54.91 54.31 1xtb h ALA 1521Cb 0.71 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1xtb h ALA 1521CO 0.05 0.70 -0.35 0.87 0.00 0.00 0.00 179.25 180.52 1xtb h LYS 1522N 0.36 0.00 -0.05 0.00 1.79 -1.11 -1.85 116.57 115.71 1xtb h LYS 1522Ca 0.00 0.00 -0.24 0.00 -2.18 0.00 0.00 60.65 58.23 1xtb h LYS 1522Cb 1.10 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.77 1xtb h LYS 1522CO 0.10 0.35 -0.93 0.87 -1.08 0.00 0.00 179.45 178.76 1xtb h LYS 1523N 0.00 0.64 0.03 3.15 1.57 -1.29 -3.33 116.57 117.34 1xtb h LYS 1523Ca -0.00 -0.63 -0.22 0.00 -1.87 0.00 0.00 60.65 57.92 1xtb h LYS 1523Cb 0.64 0.16 -0.00 0.00 0.08 0.00 0.00 32.23 33.11 1xtb h LYS 1523CO 0.05 1.23 -0.98 0.82 -0.57 0.00 0.00 179.45 180.00 1xtb h ILE 1524N 0.39 1.47 -0.85 1.86 2.04 -1.36 -3.37 117.51 117.68 1xtb h ILE 1524Ca -0.09 -2.69 0.11 0.00 1.00 0.00 0.00 64.86 63.19 1xtb h ILE 1524Cb 1.57 2.57 -0.13 0.00 -0.74 0.00 0.00 36.82 40.09 1xtb h ILE 1524CO 0.18 0.79 -0.47 -0.08 0.00 0.00 0.00 178.15 178.57 1xtb h GLU 1525N 0.14 -0.08 0.00 2.37 4.81 -1.45 0.13 114.58 120.51 1xtb h GLU 1525Ca -0.07 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 1xtb h GLU 1525Cb 1.64 0.02 0.00 0.00 0.63 0.00 0.00 28.75 31.04 1xtb h GLU 1525CO 0.16 -0.05 0.00 -1.00 -0.73 0.00 0.00 179.01 177.39 1xtb h PRO 1526N -0.08 0.00 0.00 0.92 0.13 -1.76 -3.00 132.00 128.20 1xtb h PRO 1526Ca 0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.36 1xtb h PRO 1526Cb 0.53 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.66 1xtb h PRO 1526CO -0.87 0.00 0.00 0.93 -0.23 0.00 0.00 178.00 177.83 1xtb h GLU 1527N 0.00 0.00 0.00 0.86 5.08 -0.91 -3.16 114.58 116.45 1xtb h GLU 1527Ca 0.00 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.23 1xtb h GLU 1527Cb 0.58 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.81 1xtb h GLU 1527CO 0.00 0.00 -0.61 -0.07 -1.00 0.00 0.00 179.01 177.33 1xtb h LEU 1528N 0.00 0.00 0.03 1.33 3.38 -1.33 -3.36 115.31 115.36 1xtb h LEU 1528Ca 0.00 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.00 1xtb h LEU 1528Cb 0.64 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.34 1xtb h LEU 1528CO 0.00 0.61 -0.29 0.44 0.09 0.00 0.00 178.44 179.29 1xtb h ASP 1529N 0.00 -0.84 -3.16 -0.43 3.45 -1.71 -3.44 116.42 110.29 1xtb h ASP 1529Ca -0.01 0.11 -0.43 0.00 0.43 0.00 0.00 57.03 57.13 1xtb h ASP 1529Cb 1.41 0.34 0.22 0.00 -0.56 0.00 0.00 39.33 40.73 1xtb h ASP 1529CO 0.08 -0.36 -0.02 -0.83 -1.57 0.00 0.00 179.24 176.54 1xtb s GLY 1530N -2.50 1.54 -0.02 2.75 0.00 -1.26 -4.94 107.32 102.89 1xtb s GLY 1530Ca -0.15 -0.13 0.20 0.00 0.00 0.00 0.00 44.72 44.64 1xtb s GLY 1530CO 0.65 0.61 0.57 -1.26 0.00 0.00 0.00 173.10 173.68 1xtb n SER 1531N -5.05 0.49 -4.77 1.64 2.88 -1.26 -4.95 113.62 102.61 1xtb n SER 1531Ca 0.02 -0.30 -0.41 0.00 -1.33 0.00 0.00 58.87 56.86 1xtb n SER 1531Cb 0.54 1.65 -0.02 0.00 -0.75 0.00 0.00 64.21 65.63 1xtb n SER 1531CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1xtb s SER 1532N -3.92 6.73 0.67 -3.46 0.01 -1.26 -4.98 113.70 107.50 1xtb s SER 1532Ca -0.03 2.72 -0.15 0.00 1.31 0.00 0.00 55.95 59.79 1xtb s SER 1532Cb 0.14 -2.65 0.01 0.00 0.21 0.00 0.00 66.02 63.73 1xtb s SER 1532CO 0.85 -0.57 1.14 -2.16 0.41 0.00 0.00 173.24 172.91 1xtb s PRO 1533N -1.83 2.63 -0.11 12.44 0.04 -1.26 -5.03 135.00 141.88 1xtb s PRO 1533Ca 0.49 1.52 -0.05 0.00 0.04 0.00 0.00 61.00 63.00 1xtb s PRO 1533Cb -0.40 -1.92 -0.04 0.00 0.04 0.00 0.00 34.50 32.18 1xtb s PRO 1533CO 0.54 -1.41 0.07 0.08 0.04 0.00 0.00 177.00 176.32 1xtb s VAL 1534N -2.19 4.90 0.00 -0.36 1.01 -1.26 -4.99 120.40 117.50 1xtb s VAL 1534Ca 0.70 -0.02 0.00 0.00 0.00 0.00 0.00 61.98 62.65 1xtb s VAL 1534Cb -0.23 -3.11 0.00 0.00 0.00 0.00 0.00 36.38 33.04 1xtb s VAL 1534CO 0.42 0.60 0.63 0.35 0.00 0.00 0.00 175.10 177.09 1xtb n THR 1535N 2.20 0.29 1.50 3.92 -2.24 -1.26 -4.74 114.28 113.96 1xtb n THR 1535Ca -0.19 -0.30 0.15 0.00 -2.27 0.00 0.00 64.05 61.44 1xtb n THR 1535Cb 0.54 0.89 0.69 0.00 -2.10 0.00 0.00 70.33 70.35 1xtb n THR 1535CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1xtb n SER 1536N -0.15 0.33 -1.58 3.42 3.41 -1.26 -4.90 113.62 112.89 1xtb n SER 1536Ca 0.00 -0.56 0.00 0.00 -0.26 0.00 0.00 58.87 58.05 1xtb n SER 1536Cb 0.41 -0.11 0.00 0.00 -0.26 0.00 0.00 64.21 64.25 1xtb n SER 1536CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1xtb n HIS 1537N -1.00 -0.81 -1.14 7.33 8.25 -1.26 -5.11 115.22 121.48 1xtb n HIS 1537Ca 0.16 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.31 1xtb n HIS 1537Cb 0.25 0.00 0.12 0.00 1.12 0.00 0.00 29.99 31.48 1xtb n HIS 1537CO 0.00 0.00 0.00 0.16 0.64 0.00 0.00 176.34 177.14 1xtb s ASP 1538N -0.72 3.80 0.54 0.41 1.47 -1.26 -4.74 116.67 116.16 1xtb s ASP 1538Ca 0.00 1.74 0.20 0.00 1.18 0.00 0.00 52.55 55.66 1xtb s ASP 1538Cb 0.00 -2.39 1.40 0.00 -0.34 0.00 0.00 42.92 41.59 1xtb s ASP 1538CO 0.00 -2.47 2.16 0.77 0.68 0.00 0.00 175.17 176.31 1xtb h SER 1539N -1.43 0.00 0.18 2.11 4.64 -1.98 -1.26 113.55 115.81 1xtb h SER 1539Ca -0.46 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.85 1xtb h SER 1539Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 1xtb h SER 1539CO 0.51 0.00 -0.09 -1.28 -0.87 0.00 0.00 176.83 175.10 1xtb h SER 1540N 0.00 -0.21 -0.79 4.97 0.87 -1.99 0.69 113.55 117.10 1xtb h SER 1540Ca 0.02 -0.32 0.08 0.00 -1.23 0.00 0.00 61.79 60.34 1xtb h SER 1540Cb 0.07 0.05 -0.07 0.00 -0.44 0.00 0.00 62.40 62.02 1xtb h SER 1540CO -0.00 0.27 0.46 0.74 -0.53 0.00 0.00 176.83 177.77 1xtb h THR 1541N -0.76 0.95 0.11 2.23 2.02 -1.87 0.29 112.91 115.89 1xtb h THR 1541Ca -0.03 -0.27 -0.00 0.00 0.77 0.00 0.00 66.41 66.88 1xtb h THR 1541Cb 0.51 0.08 -0.00 0.00 -1.74 0.00 0.00 68.15 67.00 1xtb h THR 1541CO 0.04 0.15 -0.06 0.78 0.37 0.00 0.00 175.52 176.80 1xtb h ASN 1542N 0.80 -0.14 -0.72 4.18 -0.26 -1.20 -1.82 115.58 116.42 1xtb h ASN 1542Ca 0.37 0.01 0.01 0.00 -0.56 0.00 0.00 56.30 56.12 1xtb h ASN 1542Cb 0.28 0.04 -0.04 0.00 -1.06 0.00 0.00 38.32 37.54 1xtb h ASN 1542CO -0.22 -0.10 0.48 1.23 -1.06 0.00 0.00 177.43 177.76 1xtb h GLY 1543N -0.16 1.02 0.92 2.83 0.00 -0.14 -0.63 103.07 106.91 1xtb h GLY 1543Ca -0.01 -0.38 -0.01 0.00 0.00 0.00 0.00 47.33 46.93 1xtb h GLY 1543CO 0.02 0.37 0.11 1.41 0.00 0.00 0.00 176.54 178.46 1xtb h LEU 1544N 0.98 0.32 -0.48 3.11 3.38 -0.88 -1.04 115.31 120.69 1xtb h LEU 1544Ca 0.26 -0.13 0.02 0.00 0.09 0.00 0.00 57.88 58.13 1xtb h LEU 1544Cb -0.11 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 1xtb h LEU 1544CO -0.06 0.35 0.29 0.40 0.09 0.00 0.00 178.44 179.51 1xtb h ILE 1545N 0.26 1.06 -0.14 1.22 2.04 -0.99 -1.70 117.51 119.26 1xtb h ILE 1545Ca 0.08 -0.20 -0.08 0.00 1.00 0.00 0.00 64.86 65.66 1xtb h ILE 1545Cb 0.12 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 36.62 1xtb h ILE 1545CO -0.01 0.11 -0.28 0.78 0.00 0.00 0.00 178.15 178.75 1xtb h ASN 1546N 0.58 0.26 -0.44 1.72 2.35 -0.94 -1.42 115.58 117.68 1xtb h ASN 1546Ca 0.19 -0.08 -0.04 0.00 -0.55 0.00 0.00 56.30 55.82 1xtb h ASN 1546Cb 0.01 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.29 1xtb h ASN 1546CO -0.08 0.54 0.12 0.15 -1.65 0.00 0.00 177.43 176.51 1xtb h PHE 1547N 0.23 0.73 -0.56 1.19 3.57 -0.73 -1.55 116.94 119.82 1xtb h PHE 1547Ca 0.03 -0.08 0.02 0.00 3.53 0.00 0.00 57.97 61.47 1xtb h PHE 1547Cb 0.62 -0.21 -0.03 0.00 2.79 0.00 0.00 35.95 39.12 1xtb h PHE 1547CO 0.01 0.67 0.35 0.82 -2.23 0.00 0.00 178.31 177.93 1xtb h ILE 1548N 0.58 1.09 -0.30 1.41 2.04 -0.82 0.74 117.51 122.27 1xtb h ILE 1548Ca 0.14 -0.24 -0.07 0.00 1.00 0.00 0.00 64.86 65.68 1xtb h ILE 1548Cb 0.30 0.33 -0.02 0.00 -0.74 0.00 0.00 36.82 36.69 1xtb h ILE 1548CO -0.00 0.13 -0.14 0.11 0.00 0.00 0.00 178.15 178.25 1xtb h LYS 1549N 0.71 0.51 -0.07 2.37 1.57 -1.05 0.35 116.57 120.95 1xtb h LYS 1549Ca 0.22 -0.15 -0.07 0.00 -1.87 0.00 0.00 60.65 58.78 1xtb h LYS 1549Cb -0.02 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.24 1xtb h LYS 1549CO -0.08 0.64 -0.23 0.37 -0.57 0.00 0.00 179.45 179.58 1xtb h GLN 1550N 0.47 0.28 0.00 3.15 4.15 -0.77 -3.27 115.11 119.11 1xtb h GLN 1550Ca 0.08 -0.21 0.00 0.00 0.77 0.00 0.00 58.65 59.30 1xtb h GLN 1550Cb 0.52 0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.24 1xtb h GLN 1550CO 0.03 0.83 0.00 1.04 -1.93 0.00 0.00 178.83 178.80 1xtb n GLN 1551N -4.52 0.05 -0.16 1.69 1.13 0.21 -3.47 117.38 112.31 1xtb n GLN 1551Ca -0.08 0.08 -0.01 0.00 -1.94 0.00 0.00 57.00 55.05 1xtb n GLN 1551Cb 0.44 -1.56 0.23 0.00 0.11 0.00 0.00 30.24 29.45 1xtb n GLN 1551CO 0.00 0.00 0.00 -0.09 -1.44 0.00 0.00 177.06 175.53 1xtb h ARG 1552N 0.00 0.89 0.00 -1.09 2.43 -0.97 -2.64 114.38 112.99 1xtb h ARG 1552Ca 0.00 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.06 1xtb h ARG 1552Cb 0.51 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.89 1xtb h ARG 1552CO 0.00 0.69 -0.76 1.49 -1.51 0.00 0.00 179.97 179.88 1xtb h GLU 1553N 0.88 0.00 -6.44 0.20 4.22 -1.73 -3.48 114.58 108.24 1xtb h GLU 1553Ca 0.22 0.00 -0.60 0.00 0.08 0.00 0.00 59.36 59.06 1xtb h GLU 1553Cb 0.09 0.00 0.05 0.00 0.50 0.00 0.00 28.75 29.39 1xtb h GLU 1553CO -0.03 0.00 0.82 0.00 -2.18 0.00 0.00 179.01 177.63 1xtb n ALA 1554N -1.93 1.06 -2.71 2.92 0.00 -1.00 -4.98 120.51 113.87 1xtb n ALA 1554Ca 0.02 0.42 -0.37 0.00 0.00 0.00 0.00 53.44 53.51 1xtb n ALA 1554Cb 0.47 -2.35 -0.06 0.00 0.00 0.00 0.00 19.45 17.51 1xtb n ALA 1554CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1xtb s LYS 1555N 1.48 3.74 0.00 0.00 -2.85 -1.26 -5.06 119.74 115.78 1xtb s LYS 1555Ca 0.82 0.11 0.24 0.00 -1.00 0.00 0.00 55.97 56.14 1xtb s LYS 1555Cb -0.71 -3.23 0.30 0.00 -2.06 0.00 0.00 37.83 32.12 1xtb s LYS 1555CO 0.41 0.67 1.32 1.51 0.10 0.00 0.00 175.35 179.37