#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h5d s SER 2 N 0.00 -0.46 0.58 4.52 0.15 -0.23 -4.55 113.70 113.70 3h5d s SER 2 Ca 0.00 0.29 0.28 0.00 0.70 0.00 0.00 55.95 57.22 3h5d s SER 2 Cb 0.00 0.42 1.53 0.00 -1.71 0.00 0.00 66.02 66.26 3h5d s SER 2 CO 0.00 -0.57 1.99 0.22 1.20 0.00 0.00 173.24 176.07 3h5d h TYR 3 N 2.40 0.00 -0.01 3.44 3.20 -1.92 -2.74 116.97 121.33 3h5d h TYR 3 Ca -0.23 0.00 -0.15 0.00 3.14 0.00 0.00 58.73 61.49 3h5d h TYR 3 Cb 1.20 0.00 0.01 0.00 1.54 0.00 0.00 36.73 39.48 3h5d h TYR 3 CO 0.29 0.00 -0.57 1.96 -1.64 0.00 0.00 178.16 178.21 3h5d h GLN 4 N 0.00 0.40 -0.53 1.82 1.08 -1.96 -0.25 115.11 115.67 3h5d h GLN 4 Ca 0.18 -0.42 0.15 0.00 -1.45 0.00 0.00 58.65 57.11 3h5d h GLN 4 Cb 0.91 0.12 -0.02 0.00 -0.05 0.00 0.00 27.48 28.43 3h5d h GLN 4 CO -0.00 1.08 0.39 -0.44 -0.95 0.00 0.00 178.83 178.91 3h5d h ASP 5 N -0.11 0.00 0.00 1.46 3.32 -1.87 -3.19 116.42 116.03 3h5d h ASP 5 Ca -0.07 0.00 -0.24 0.00 0.02 0.00 0.00 57.03 56.74 3h5d h ASP 5 Cb 1.27 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.78 3h5d h ASP 5 CO 0.11 0.00 -1.92 0.18 -1.72 0.00 0.00 179.24 175.89 3h5d n LEU 6 N -4.32 0.52 0.10 1.55 7.99 -1.22 -4.73 117.00 116.89 3h5d n LEU 6 Ca 0.10 -0.02 0.09 0.00 -0.01 0.00 0.00 56.01 56.17 3h5d n LEU 6 Cb 0.61 0.17 0.13 0.00 -0.11 0.00 0.00 43.42 44.22 3h5d n LEU 6 CO 0.36 0.41 0.88 2.29 -1.51 0.00 0.00 177.39 179.82 3h5d n LYS 7 N -2.58 0.02 0.00 3.23 2.85 -0.11 0.15 118.16 121.72 3h5d n LYS 7 Ca -0.23 0.79 0.05 0.00 -1.05 0.00 0.00 58.31 57.86 3h5d n LYS 7 Cb 0.91 -2.06 0.01 0.00 -0.65 0.00 0.00 35.03 33.25 3h5d n LYS 7 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 3h5d n GLU 8 N -2.40 1.61 -1.72 -1.58 -0.58 -1.26 -5.00 120.64 109.71 3h5d n GLU 8 Ca 0.07 -0.76 -0.43 0.00 -0.42 0.00 0.00 57.16 55.63 3h5d n GLU 8 Cb 0.97 -1.12 -0.03 0.00 -0.57 0.00 0.00 31.44 30.70 3h5d n GLU 8 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3h5d n LYS 10 N 3.09 0.70 -3.70 0.00 4.76 -1.26 -4.47 118.16 117.27 3h5d n LYS 10 Ca 0.13 0.05 -0.30 0.00 -2.87 0.00 0.00 58.31 55.33 3h5d n LYS 10 Cb 0.34 -1.22 -0.13 0.00 -1.84 0.00 0.00 35.03 32.18 3h5d n LYS 10 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3h5d s ILE 11 N -2.22 1.27 -0.05 -0.18 1.01 -1.26 -0.49 121.20 119.28 3h5d s ILE 11 Ca -0.13 -2.38 -0.18 0.00 0.00 0.00 0.00 60.65 57.97 3h5d s ILE 11 Cb 0.04 -1.90 -0.05 0.00 0.01 0.00 0.00 42.46 40.56 3h5d s ILE 11 CO 0.28 -0.88 0.48 -0.63 0.00 0.00 0.00 174.94 174.19 3h5d s ILE 12 N 0.54 5.06 -0.19 2.92 1.09 -0.53 -1.11 121.20 128.97 3h5d s ILE 12 Ca 0.17 0.98 -0.09 0.00 -1.10 0.00 0.00 60.65 60.61 3h5d s ILE 12 Cb -0.24 -3.81 -0.04 0.00 -1.06 0.00 0.00 42.46 37.31 3h5d s ILE 12 CO -0.02 0.44 0.09 -0.89 -0.10 0.00 0.00 174.94 174.46 3h5d s THR 13 N -0.17 5.07 -1.30 2.92 2.01 -0.55 -0.40 115.64 123.21 3h5d s THR 13 Ca 0.26 0.07 -0.17 0.00 0.31 0.00 0.00 61.69 62.16 3h5d s THR 13 Cb -0.16 -3.30 0.08 0.00 0.01 0.00 0.00 72.50 69.13 3h5d s THR 13 CO 0.13 0.45 1.75 0.00 -0.69 0.00 0.00 174.62 176.25 3h5d n ALA 14 N 3.57 3.83 -1.73 7.40 0.00 -0.05 -0.59 120.51 132.94 3h5d n ALA 14 Ca -0.16 -3.92 -0.42 0.00 0.00 0.00 0.00 53.44 48.94 3h5d n ALA 14 Cb 0.52 -3.51 -0.03 0.00 0.00 0.00 0.00 19.45 16.43 3h5d n ALA 14 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 3h5d s PHE 15 N 3.68 2.61 1.18 0.00 5.36 -0.34 -4.43 117.98 126.05 3h5d s PHE 15 Ca 0.51 0.21 -0.14 0.00 -0.96 0.00 0.00 56.93 56.55 3h5d s PHE 15 Cb 0.04 -4.14 0.26 0.00 -0.34 0.00 0.00 43.02 38.84 3h5d s PHE 15 CO 0.05 -4.49 0.79 0.44 -1.46 0.00 0.00 175.22 170.55 3h5d n ILE 16 N 4.29 0.00 -3.94 3.12 -5.35 -1.26 -3.22 119.36 112.99 3h5d n ILE 16 Ca 0.17 -0.44 -0.34 0.00 -0.27 0.00 0.00 62.75 61.86 3h5d n ILE 16 Cb 0.36 -0.91 -0.14 0.00 -1.74 0.00 0.00 39.64 37.21 3h5d n ILE 16 CO 0.00 0.00 0.00 -0.89 -1.76 0.00 0.00 176.55 173.90 3h5d s THR 17 N -2.35 2.86 0.45 7.28 2.01 -1.24 -4.73 115.64 119.90 3h5d s THR 17 Ca 0.66 -1.31 -0.24 0.00 0.31 0.00 0.00 61.69 61.12 3h5d s THR 17 Cb -0.23 -2.59 -0.08 0.00 0.01 0.00 0.00 72.50 69.62 3h5d s THR 17 CO 0.66 -0.01 1.21 -2.84 -0.69 0.00 0.00 174.62 172.95 3h5d s PRO 18 N 1.26 3.80 0.32 4.92 0.02 -1.26 -4.94 135.00 139.12 3h5d s PRO 18 Ca -0.04 1.89 0.07 0.00 0.02 0.00 0.00 61.00 62.94 3h5d s PRO 18 Cb -0.19 -2.51 -0.06 0.00 0.02 0.00 0.00 34.50 31.76 3h5d s PRO 18 CO -0.03 -0.55 -0.03 -0.06 -0.33 0.00 0.00 177.00 176.00 3h5d s PHE 19 N -1.45 2.14 0.44 6.54 0.40 -1.09 -2.06 117.98 122.91 3h5d s PHE 19 Ca 0.62 -0.70 -0.01 0.00 -0.60 0.00 0.00 56.93 56.23 3h5d s PHE 19 Cb -0.32 -1.31 0.09 0.00 0.51 0.00 0.00 43.02 41.99 3h5d s PHE 19 CO 0.39 0.32 0.60 0.72 0.70 0.00 0.00 175.22 177.94 3h5d n HIS 20 N -0.71 -3.23 0.56 0.36 8.25 0.62 -4.23 115.22 116.85 3h5d n HIS 20 Ca -0.05 -0.97 0.12 0.00 -0.26 0.00 0.00 57.72 56.56 3h5d n HIS 20 Cb 0.65 -0.44 0.45 0.00 1.12 0.00 0.00 29.99 31.77 3h5d n HIS 20 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 3h5d n GLU 21 N -2.13 0.18 0.19 -0.41 -0.58 -1.26 -3.02 120.64 113.62 3h5d n GLU 21 Ca 0.10 0.28 0.12 0.00 -0.42 0.00 0.00 57.16 57.23 3h5d n GLU 21 Cb 0.34 -1.77 0.20 0.00 -0.57 0.00 0.00 31.44 29.64 3h5d n GLU 21 CO 0.00 0.00 0.00 0.38 -0.48 0.00 0.00 177.13 177.03 3h5d h ASP 22 N 0.00 0.00 0.00 1.62 -0.00 -2.02 -3.47 116.42 112.55 3h5d h ASP 22 Ca 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.03 3h5d h ASP 22 Cb 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.84 3h5d h ASP 22 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 179.24 179.85 3h5d n GLY 23 N 1.14 1.45 3.90 7.15 0.00 -1.17 -5.10 105.19 112.57 3h5d n GLY 23 Ca 0.04 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.78 3h5d n GLY 23 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3h5d s SER 24 N -1.91 6.41 0.46 1.61 0.01 -1.26 -4.81 113.70 114.20 3h5d s SER 24 Ca 0.00 0.82 -0.24 0.00 1.31 0.00 0.00 55.95 57.84 3h5d s SER 24 Cb 0.00 -2.19 -0.07 0.00 0.21 0.00 0.00 66.02 63.96 3h5d s SER 24 CO 0.00 -0.33 1.32 -0.63 0.41 0.00 0.00 173.24 174.01 3h5d s ILE 25 N -2.31 2.47 -0.74 1.44 1.01 -1.26 -0.27 121.20 121.53 3h5d s ILE 25 Ca 0.46 0.39 -0.03 0.00 0.00 0.00 0.00 60.65 61.47 3h5d s ILE 25 Cb -0.10 -3.22 0.19 0.00 0.01 0.00 0.00 42.46 39.34 3h5d s ILE 25 CO 0.34 0.03 0.59 0.21 0.00 0.00 0.00 174.94 176.11 3h5d s ASN 26 N -0.85 5.57 0.18 3.58 3.84 -0.87 -4.66 114.94 121.72 3h5d s ASN 26 Ca 0.62 -3.22 0.20 0.00 0.21 0.00 0.00 52.86 50.67 3h5d s ASN 26 Cb -0.38 -1.88 0.84 0.00 -0.55 0.00 0.00 41.25 39.28 3h5d s ASN 26 CO 0.48 -0.29 1.60 0.49 -2.79 0.00 0.00 177.10 176.58 3h5d n PHE 27 N 3.00 0.53 -0.08 0.43 3.01 -1.26 -2.92 117.46 120.17 3h5d n PHE 27 Ca 0.14 0.22 -0.15 0.00 1.01 0.00 0.00 57.45 58.66 3h5d n PHE 27 Cb 0.38 -0.85 -0.05 0.00 -0.01 0.00 0.00 39.48 38.95 3h5d n PHE 27 CO 0.00 0.00 0.00 -0.44 1.01 0.00 0.00 176.76 177.33 3h5d h ASP 28 N 0.00 0.92 1.50 4.37 3.32 -1.99 -3.15 116.42 121.39 3h5d h ASP 28 Ca 0.00 -0.54 0.00 0.00 0.02 0.00 0.00 57.03 56.51 3h5d h ASP 28 Cb 0.28 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.57 3h5d h ASP 28 CO 0.00 1.28 0.00 0.00 -1.72 0.00 0.00 179.24 178.80 3h5d h ALA 29 N 0.66 1.00 -0.38 3.45 0.00 -1.82 -3.34 119.26 118.83 3h5d h ALA 29 Ca 0.01 0.00 0.08 0.00 0.00 0.00 0.00 54.91 55.00 3h5d h ALA 29 Cb 1.12 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.84 3h5d h ALA 29 CO 0.12 0.00 -0.07 0.82 0.00 0.00 0.00 179.25 180.11 3h5d h ILE 30 N 0.00 0.64 -0.21 0.00 2.04 -1.65 -1.97 117.51 116.35 3h5d h ILE 30 Ca 0.00 -0.01 -0.12 0.00 1.00 0.00 0.00 64.86 65.73 3h5d h ILE 30 Cb 0.75 0.61 -0.01 0.00 -0.74 0.00 0.00 36.82 37.43 3h5d h ILE 30 CO 0.00 0.00 -0.37 -0.65 0.00 0.00 0.00 178.15 177.13 3h5d h PRO 31 N 0.02 0.47 -0.11 2.37 0.11 -1.75 -1.68 132.00 131.44 3h5d h PRO 31 Ca 0.19 -0.22 0.04 0.00 0.11 0.00 0.00 66.00 66.12 3h5d h PRO 31 Cb 0.28 -0.01 -0.06 0.00 0.11 0.00 0.00 31.00 31.32 3h5d h PRO 31 CO -0.38 0.77 -0.34 0.00 -0.21 0.00 0.00 178.00 177.85 3h5d h ALA 32 N 1.21 -0.42 0.09 -0.75 0.00 -1.55 -2.50 119.26 115.33 3h5d h ALA 32 Ca 0.04 0.01 -0.29 0.00 0.00 0.00 0.00 54.91 54.67 3h5d h ALA 32 Cb 0.83 0.63 -0.02 0.00 0.00 0.00 0.00 17.79 19.23 3h5d h ALA 32 CO 0.07 -0.82 -1.46 1.37 0.00 0.00 0.00 179.25 178.40 3h5d h LEU 33 N -0.43 0.28 -1.53 0.00 -0.00 -1.41 -3.18 115.31 109.04 3h5d h LEU 33 Ca 0.09 -0.39 0.12 0.00 -0.00 0.00 0.00 57.88 57.69 3h5d h LEU 33 Cb 0.56 -0.09 -0.05 0.00 -0.00 0.00 0.00 40.66 41.08 3h5d h LEU 33 CO -0.34 1.32 0.47 0.40 -0.00 0.00 0.00 178.44 180.29 3h5d h ILE 34 N 0.05 0.87 0.16 0.15 2.04 -1.34 0.31 117.51 119.75 3h5d h ILE 34 Ca -0.21 -0.17 -0.01 0.00 1.00 0.00 0.00 64.86 65.47 3h5d h ILE 34 Cb 1.98 0.33 0.00 0.00 -0.74 0.00 0.00 36.82 38.38 3h5d h ILE 34 CO 0.15 0.09 -0.08 -0.08 0.00 0.00 0.00 178.15 178.23 3h5d h GLU 35 N 0.50 -0.21 -0.82 2.37 4.57 -1.51 -2.39 114.58 117.08 3h5d h GLU 35 Ca 0.34 0.01 0.20 0.00 -1.18 0.00 0.00 59.36 58.73 3h5d h GLU 35 Cb 0.63 0.05 -0.15 0.00 -0.16 0.00 0.00 28.75 29.12 3h5d h GLU 35 CO -0.11 0.08 -0.00 1.25 -1.18 0.00 0.00 179.01 179.04 3h5d h HIS 36 N -0.49 -0.07 -0.00 0.92 2.76 -1.07 0.68 115.15 117.88 3h5d h HIS 36 Ca -0.02 0.06 0.00 0.00 -2.20 0.00 0.00 60.37 58.21 3h5d h HIS 36 Cb 0.38 0.16 -0.00 0.00 1.55 0.00 0.00 27.41 29.50 3h5d h HIS 36 CO 0.01 -0.29 0.00 -0.07 -1.30 0.00 0.00 177.93 176.28 3h5d h LEU 37 N 0.08 0.00 -1.55 0.26 4.07 -0.32 0.86 115.31 118.72 3h5d h LEU 37 Ca 0.46 0.00 -0.05 0.00 0.08 0.00 0.00 57.88 58.37 3h5d h LEU 37 Cb 0.84 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.57 3h5d h LEU 37 CO -0.74 0.00 -0.23 -0.07 -1.08 0.00 0.00 178.44 176.32 3h5d h LEU 38 N 0.00 0.00 -1.50 1.67 4.07 -0.73 -1.28 115.31 117.55 3h5d h LEU 38 Ca 0.00 0.00 -0.05 0.00 0.08 0.00 0.00 57.88 57.91 3h5d h LEU 38 Cb 0.00 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.73 3h5d h LEU 38 CO -0.00 0.23 -0.24 0.00 -1.08 0.00 0.00 178.44 177.35 3h5d h ALA 39 N 1.77 1.27 -0.94 1.53 0.00 0.17 -3.28 119.26 119.78 3h5d h ALA 39 Ca -0.00 -0.22 -0.55 0.00 0.00 0.00 0.00 54.91 54.14 3h5d h ALA 39 Cb 0.42 -0.04 -0.43 0.00 0.00 0.00 0.00 17.79 17.75 3h5d h ALA 39 CO 0.03 0.30 -0.81 0.72 0.00 0.00 0.00 179.25 179.49 3h5d n HIS 40 N -3.77 2.87 -0.93 0.00 8.25 0.16 -4.95 115.22 116.85 3h5d n HIS 40 Ca -0.01 -2.46 0.00 0.00 -0.26 0.00 0.00 57.72 54.99 3h5d n HIS 40 Cb 0.34 -0.27 0.00 0.00 1.12 0.00 0.00 29.99 31.18 3h5d n HIS 40 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 3h5d n HIS 41 N -0.64 0.00 -2.47 4.41 8.25 -1.17 -4.13 115.22 119.47 3h5d n HIS 41 Ca 0.41 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.47 3h5d n HIS 41 Cb 0.88 -0.23 -0.03 0.00 1.12 0.00 0.00 29.99 31.73 3h5d n HIS 41 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3h5d s THR 42 N -2.00 3.72 -0.82 1.59 2.01 -0.57 -4.62 115.64 114.96 3h5d s THR 42 Ca 0.00 0.07 -0.01 0.00 0.31 0.00 0.00 61.69 62.06 3h5d s THR 42 Cb 0.00 -4.81 0.36 0.00 0.01 0.00 0.00 72.50 68.06 3h5d s THR 42 CO 0.00 -1.73 1.94 -0.90 -0.69 0.00 0.00 174.62 173.23 3h5d n ASP 43 N 9.84 7.27 0.00 3.53 5.68 -0.27 -4.44 116.55 138.17 3h5d n ASP 43 Ca 0.14 -3.82 0.00 0.00 -0.50 0.00 0.00 54.79 50.60 3h5d n ASP 43 Cb 0.50 -1.02 0.00 0.00 -1.14 0.00 0.00 41.12 39.46 3h5d n ASP 43 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3h5d n GLY 44 N -0.52 2.83 2.80 6.12 0.00 -1.23 -4.64 105.19 110.54 3h5d n GLY 44 Ca 0.52 -0.72 -0.18 0.00 0.00 0.00 0.00 46.02 45.65 3h5d n GLY 44 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h5d s ILE 45 N -2.00 -0.26 -0.24 -0.61 1.01 -0.87 -1.49 121.20 116.74 3h5d s ILE 45 Ca 0.00 0.19 -0.20 0.00 0.00 0.00 0.00 60.65 60.64 3h5d s ILE 45 Cb 0.00 -0.42 -0.02 0.00 0.01 0.00 0.00 42.46 42.03 3h5d s ILE 45 CO 0.00 0.02 0.62 -0.22 0.00 0.00 0.00 174.94 175.36 3h5d s LEU 46 N 2.29 4.08 0.04 2.97 2.96 0.25 -0.16 118.68 131.11 3h5d s LEU 46 Ca 0.04 0.73 -0.00 0.00 -0.22 0.00 0.00 54.13 54.67 3h5d s LEU 46 Cb -0.13 -2.85 -0.04 0.00 0.50 0.00 0.00 46.19 43.67 3h5d s LEU 46 CO -0.08 -0.34 0.16 -0.76 -1.32 0.00 0.00 176.35 174.02 3h5d s LEU 47 N 2.32 4.18 -1.36 -0.68 1.43 -0.55 -1.20 118.68 122.82 3h5d s LEU 47 Ca 0.26 0.21 0.00 0.00 -1.03 0.00 0.00 54.13 53.58 3h5d s LEU 47 Cb -0.16 -2.68 0.00 0.00 0.03 0.00 0.00 46.19 43.38 3h5d s LEU 47 CO 0.09 0.21 0.00 0.00 0.23 0.00 0.00 176.35 176.88 3h5d n ALA 48 N 0.61 -0.55 -1.00 4.21 0.00 -1.26 -1.82 120.51 120.70 3h5d n ALA 48 Ca -0.08 0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.52 3h5d n ALA 48 Cb 0.52 -1.63 0.00 0.00 0.00 0.00 0.00 19.45 18.33 3h5d n ALA 48 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h5d n GLY 49 N -0.65 -0.29 0.11 0.00 0.00 -1.26 -4.35 105.19 98.73 3h5d n GLY 49 Ca -0.16 -1.45 -0.11 0.00 0.00 0.00 0.00 46.02 44.29 3h5d n GLY 49 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3h5d h THR 50 N -0.06 0.84 0.00 2.61 2.02 -1.95 -2.76 112.91 113.61 3h5d h THR 50 Ca 0.00 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.15 3h5d h THR 50 Cb 0.00 0.84 -0.00 0.00 -1.74 0.00 0.00 68.15 67.24 3h5d h THR 50 CO 0.00 0.00 -0.14 0.74 0.37 0.00 0.00 175.52 176.49 3h5d h THR 51 N -0.11 1.07 0.00 3.16 2.02 -1.87 0.24 112.91 117.42 3h5d h THR 51 Ca 0.03 -0.48 0.00 0.00 0.77 0.00 0.00 66.41 66.73 3h5d h THR 51 Cb 0.14 1.26 0.00 0.00 -1.74 0.00 0.00 68.15 67.81 3h5d h THR 51 CO -0.07 0.14 -0.04 0.00 0.37 0.00 0.00 175.52 175.92 3h5d n ALA 52 N -2.50 2.39 -2.29 6.16 0.00 -1.19 -4.34 120.51 118.74 3h5d n ALA 52 Ca -0.03 -0.09 -0.03 0.00 0.00 0.00 0.00 53.44 53.29 3h5d n ALA 52 Cb 0.21 -1.45 0.02 0.00 0.00 0.00 0.00 19.45 18.23 3h5d n ALA 52 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3h5d n GLU 53 N -1.76 -1.36 -0.36 0.00 1.02 0.07 -3.69 120.64 114.56 3h5d n GLU 53 Ca 0.06 0.17 -0.01 0.00 -0.02 0.00 0.00 57.16 57.37 3h5d n GLU 53 Cb 0.37 -3.19 0.14 0.00 -0.02 0.00 0.00 31.44 28.74 3h5d n GLU 53 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 3h5d h SER 54 N -0.39 1.11 -1.08 1.62 4.64 -1.68 -1.80 113.55 115.98 3h5d h SER 54 Ca -0.12 -0.02 0.42 0.00 -0.47 0.00 0.00 61.79 61.60 3h5d h SER 54 Cb 1.07 -0.27 -0.17 0.00 -0.31 0.00 0.00 62.40 62.72 3h5d h SER 54 CO 0.10 0.79 0.61 -0.65 -0.87 0.00 0.00 176.83 176.81 3h5d h PRO 55 N 1.30 0.03 0.00 4.77 0.11 -1.91 -0.48 132.00 135.83 3h5d h PRO 55 Ca 0.37 -0.00 -0.08 0.00 0.11 0.00 0.00 66.00 66.40 3h5d h PRO 55 Cb -0.09 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.00 3h5d h PRO 55 CO -0.10 0.02 -1.28 0.25 -0.21 0.00 0.00 178.00 176.69 3h5d n THR 56 N -5.13 0.83 -2.50 -1.15 -2.24 -0.69 -4.88 114.28 98.53 3h5d n THR 56 Ca 0.38 -0.61 -0.41 0.00 -2.27 0.00 0.00 64.05 61.13 3h5d n THR 56 Cb 1.31 -0.49 -0.04 0.00 -2.10 0.00 0.00 70.33 69.02 3h5d n THR 56 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3h5d s LEU 57 N -5.48 4.45 0.59 3.22 1.02 -0.19 -5.04 118.68 117.25 3h5d s LEU 57 Ca -0.02 2.04 -0.08 0.00 0.02 0.00 0.00 54.13 56.09 3h5d s LEU 57 Cb 0.09 -3.59 -0.01 0.00 0.02 0.00 0.00 46.19 42.69 3h5d s LEU 57 CO 0.81 -0.30 0.95 0.42 0.02 0.00 0.00 176.35 178.25 3h5d s THR 58 N 0.21 4.21 0.12 5.49 -4.23 -1.26 -4.88 115.64 115.30 3h5d s THR 58 Ca 0.52 0.38 -0.33 0.00 -1.18 0.00 0.00 61.69 61.08 3h5d s THR 58 Cb -0.29 -3.67 -0.12 0.00 1.34 0.00 0.00 72.50 69.76 3h5d s THR 58 CO 0.33 -0.78 1.54 -0.74 -0.54 0.00 0.00 174.62 174.44 3h5d h HIS 59 N -0.21 -1.65 -0.55 3.99 2.76 -1.96 -1.79 115.15 115.74 3h5d h HIS 59 Ca -0.45 0.07 0.11 0.00 -2.20 0.00 0.00 60.37 57.90 3h5d h HIS 59 Cb 1.23 0.75 -0.09 0.00 1.55 0.00 0.00 27.41 30.85 3h5d h HIS 59 CO 0.56 -0.52 0.02 -0.44 -1.30 0.00 0.00 177.93 176.25 3h5d h ASP 60 N -0.49 -0.20 -0.72 3.26 3.45 -2.00 -1.57 116.42 118.15 3h5d h ASP 60 Ca 0.05 0.13 0.11 0.00 0.43 0.00 0.00 57.03 57.75 3h5d h ASP 60 Cb 0.64 0.22 -0.05 0.00 -0.56 0.00 0.00 39.33 39.58 3h5d h ASP 60 CO -0.51 -0.07 0.48 -0.33 -1.57 0.00 0.00 179.24 177.24 3h5d h GLU 61 N 0.14 0.50 -0.15 3.56 5.08 -1.77 0.91 114.58 122.85 3h5d h GLU 61 Ca 0.28 -0.03 -0.22 0.00 -1.00 0.00 0.00 59.36 58.39 3h5d h GLU 61 Cb 0.44 -0.11 0.01 0.00 0.50 0.00 0.00 28.75 29.58 3h5d h GLU 61 CO -0.45 0.33 -0.77 0.93 -1.00 0.00 0.00 179.01 178.06 3h5d h GLU 62 N 0.52 0.79 -0.39 2.33 5.08 -0.47 -0.59 114.58 121.85 3h5d h GLU 62 Ca 0.34 -0.64 -0.12 0.00 -1.00 0.00 0.00 59.36 57.93 3h5d h GLU 62 Cb 0.62 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.99 3h5d h GLU 62 CO -0.11 1.25 -0.26 -0.07 -1.00 0.00 0.00 179.01 178.82 3h5d h LEU 63 N 0.52 0.82 -1.90 1.33 3.38 -0.92 -0.14 115.31 118.40 3h5d h LEU 63 Ca -0.05 -0.32 -0.01 0.00 0.09 0.00 0.00 57.88 57.60 3h5d h LEU 63 Cb 1.40 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.92 3h5d h LEU 63 CO 0.16 1.04 -0.01 -0.33 0.09 0.00 0.00 178.44 179.39 3h5d h GLU 64 N 0.69 0.04 0.01 1.13 5.08 -0.79 -2.49 114.58 118.26 3h5d h GLU 64 Ca 0.09 -0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.26 3h5d h GLU 64 Cb 0.79 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 30.05 3h5d h GLU 64 CO 0.07 0.06 -0.70 -0.07 -1.00 0.00 0.00 179.01 177.36 3h5d h LEU 65 N 0.05 0.60 -1.32 1.33 4.07 -0.34 -2.54 115.31 117.16 3h5d h LEU 65 Ca 0.01 -0.77 -0.04 0.00 0.08 0.00 0.00 57.88 57.17 3h5d h LEU 65 Cb 0.05 -0.19 -0.02 0.00 1.08 0.00 0.00 40.66 41.59 3h5d h LEU 65 CO 0.00 1.30 0.08 -0.26 -1.08 0.00 0.00 178.44 178.47 3h5d h PHE 66 N -0.02 0.54 0.60 1.13 0.04 -0.90 -2.89 116.94 115.44 3h5d h PHE 66 Ca -0.09 -0.04 -0.03 0.00 2.80 0.00 0.00 57.97 60.61 3h5d h PHE 66 Cb 1.41 -0.17 0.01 0.00 2.20 0.00 0.00 35.95 39.40 3h5d h PHE 66 CO 0.14 0.48 -0.29 0.00 -0.60 0.00 0.00 178.31 178.05 3h5d h ALA 67 N 1.56 -0.80 0.00 2.45 0.00 -1.49 -1.71 119.26 119.27 3h5d h ALA 67 Ca 0.12 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3h5d h ALA 67 Cb 0.22 0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3h5d h ALA 67 CO -0.00 -0.82 0.13 0.00 0.00 0.00 0.00 179.25 178.56 3h5d n ALA 68 N -2.61 0.82 -0.09 0.00 0.00 -0.96 -1.44 120.51 116.23 3h5d n ALA 68 Ca -0.12 0.11 -0.18 0.00 0.00 0.00 0.00 53.44 53.26 3h5d n ALA 68 Cb 0.35 -0.97 -0.07 0.00 0.00 0.00 0.00 19.45 18.75 3h5d n ALA 68 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3h5d n VAL 69 N -1.91 1.04 0.28 0.00 0.31 -1.10 -3.54 118.33 113.40 3h5d n VAL 69 Ca -0.01 -0.31 0.18 0.00 -0.01 0.00 0.00 64.34 64.20 3h5d n VAL 69 Cb 0.15 -1.55 0.95 0.00 -0.91 0.00 0.00 33.84 32.48 3h5d n VAL 69 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 3h5d h GLN 70 N -0.46 0.00 0.06 5.55 4.20 -0.95 2.94 115.11 126.45 3h5d h GLN 70 Ca -0.46 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.25 3h5d h GLN 70 Cb 1.49 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.27 3h5d h GLN 70 CO -0.22 0.00 -0.03 -0.22 -0.67 0.00 0.00 178.83 177.69 3h5d h LYS 71 N 0.00 -0.08 -0.43 1.46 3.64 -1.44 -3.30 116.57 116.42 3h5d h LYS 71 Ca 0.04 0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.50 3h5d h LYS 71 Cb 0.34 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.16 3h5d h LYS 71 CO -0.00 -0.05 0.29 0.28 -2.27 0.00 0.00 179.45 177.70 3h5d h VAL 72 N -0.18 0.92 -2.93 2.00 2.07 -1.40 -3.08 116.25 113.64 3h5d h VAL 72 Ca -0.01 -0.09 -0.75 0.00 0.82 0.00 0.00 66.70 66.67 3h5d h VAL 72 Cb 0.07 0.64 -0.22 0.00 -1.52 0.00 0.00 31.29 30.25 3h5d h VAL 72 CO 0.01 0.05 0.72 -0.69 0.02 0.00 0.00 177.57 177.68 3h5d s VAL 73 N -5.26 5.30 0.61 2.57 1.01 0.98 -4.89 120.40 120.72 3h5d s VAL 73 Ca -0.07 -2.47 0.31 0.00 0.00 0.00 0.00 61.98 59.75 3h5d s VAL 73 Cb 0.19 -4.70 0.36 0.00 0.00 0.00 0.00 36.38 32.22 3h5d s VAL 73 CO 0.73 -1.36 2.06 -1.13 0.00 0.00 0.00 175.10 175.40 3h5d h ASN 74 N 7.67 0.00 0.00 3.32 -1.24 -1.62 -3.41 115.58 120.31 3h5d h ASN 74 Ca 0.19 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.20 3h5d h ASN 74 Cb 0.96 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.01 3h5d h ASN 74 CO 1.04 0.00 0.00 0.61 -1.29 0.00 0.00 177.43 177.79 3h5d n GLY 75 N -1.34 -0.71 0.31 1.57 0.00 -1.26 -5.00 105.19 98.75 3h5d n GLY 75 Ca 0.01 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.04 3h5d n GLY 75 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3h5d h ARG 76 N 0.00 -0.03 -5.41 1.61 -0.00 -1.94 -3.43 114.38 105.19 3h5d h ARG 76 Ca 0.00 0.00 -0.41 0.00 -0.50 0.00 0.00 59.98 59.07 3h5d h ARG 76 Cb 0.00 0.01 -0.18 0.00 0.00 0.00 0.00 29.97 29.79 3h5d h ARG 76 CO 0.00 -0.02 -0.76 0.14 0.00 0.00 0.00 179.97 179.33 3h5d s VAL 77 N -6.18 1.31 0.76 2.04 -7.23 -1.26 -5.06 120.40 104.77 3h5d s VAL 77 Ca -0.14 -1.69 -0.13 0.00 -1.81 0.00 0.00 61.98 58.21 3h5d s VAL 77 Cb 0.21 -1.50 0.05 0.00 0.56 0.00 0.00 36.38 35.71 3h5d s VAL 77 CO 0.74 -0.40 1.15 -2.84 -0.31 0.00 0.00 175.10 173.44 3h5d s PRO 78 N -2.61 2.09 -0.04 4.82 0.02 -1.26 -4.90 135.00 133.12 3h5d s PRO 78 Ca 0.08 1.53 0.02 0.00 0.02 0.00 0.00 61.00 62.65 3h5d s PRO 78 Cb -0.05 -1.85 0.01 0.00 0.02 0.00 0.00 34.50 32.63 3h5d s PRO 78 CO 0.03 -1.83 -0.09 -0.51 -0.33 0.00 0.00 177.00 174.27 3h5d s LEU 79 N -5.51 1.67 -0.09 -5.54 1.43 -1.26 -2.04 118.68 107.34 3h5d s LEU 79 Ca 0.69 -0.19 -0.03 0.00 -1.03 0.00 0.00 54.13 53.56 3h5d s LEU 79 Cb -0.24 -0.58 -0.04 0.00 0.03 0.00 0.00 46.19 45.37 3h5d s LEU 79 CO 0.49 0.04 0.04 -0.63 0.23 0.00 0.00 176.35 176.52 3h5d s ILE 80 N 0.41 4.68 -0.21 -0.59 -1.09 0.77 -0.28 121.20 124.90 3h5d s ILE 80 Ca -0.07 -0.12 -0.04 0.00 -2.23 0.00 0.00 60.65 58.20 3h5d s ILE 80 Cb -0.11 -3.00 -0.01 0.00 -1.58 0.00 0.00 42.46 37.76 3h5d s ILE 80 CO 0.01 0.60 -0.05 0.00 -1.23 0.00 0.00 174.94 174.27 3h5d s ALA 81 N -0.94 2.80 -0.11 9.38 0.00 -0.14 -1.48 121.76 131.27 3h5d s ALA 81 Ca 0.14 -1.13 -0.29 0.00 0.00 0.00 0.00 51.96 50.68 3h5d s ALA 81 Cb -0.12 -1.66 -0.06 0.00 0.00 0.00 0.00 23.12 21.29 3h5d s ALA 81 CO 0.03 -0.35 1.95 0.20 0.00 0.00 0.00 175.76 177.59 3h5d s GLY 82 N 1.35 1.09 0.00 0.00 0.00 -0.75 -0.35 107.32 108.66 3h5d s GLY 82 Ca 0.04 0.92 0.00 0.00 0.00 0.00 0.00 44.72 45.68 3h5d s GLY 82 CO -0.03 3.45 0.00 3.33 0.00 0.00 0.00 173.10 179.85 3h5d n VAL 83 N 6.47 0.00 -2.79 1.40 0.24 -0.67 -4.89 118.33 118.09 3h5d n VAL 83 Ca 0.23 -0.09 -0.40 0.00 -2.04 0.00 0.00 64.34 62.03 3h5d n VAL 83 Cb 0.43 0.64 -0.06 0.00 -1.47 0.00 0.00 33.84 33.39 3h5d n VAL 83 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3h5d s GLY 84 N -0.46 3.07 0.21 7.63 0.00 -0.21 -4.61 107.32 112.95 3h5d s GLY 84 Ca 0.00 0.57 0.02 0.00 0.00 0.00 0.00 44.72 45.30 3h5d s GLY 84 CO 0.00 1.16 0.06 -0.37 0.00 0.00 0.00 173.10 173.96 3h5d n THR 85 N 1.67 0.00 1.11 0.90 5.66 -1.26 -4.53 114.28 117.83 3h5d n THR 85 Ca -0.02 -1.19 0.12 0.00 -3.05 0.00 0.00 64.05 59.91 3h5d n THR 85 Cb 0.48 0.40 0.35 0.00 -1.55 0.00 0.00 70.33 70.01 3h5d n THR 85 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56 3h5d n ASN 86 N -1.72 2.11 -4.28 1.09 6.94 -1.26 -4.46 115.26 113.68 3h5d n ASN 86 Ca -0.04 -1.74 -0.35 0.00 -0.02 0.00 0.00 54.58 52.43 3h5d n ASN 86 Cb 0.31 -0.09 -0.14 0.00 -2.36 0.00 0.00 39.78 37.50 3h5d n ASN 86 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 3h5d s ASP 87 N -1.73 4.38 0.17 0.53 -1.08 -1.26 -4.86 116.67 112.81 3h5d s ASP 87 Ca 0.34 -0.58 -0.15 0.00 -0.52 0.00 0.00 52.55 51.64 3h5d s ASP 87 Cb 0.20 -1.73 0.10 0.00 -1.46 0.00 0.00 42.92 40.03 3h5d s ASP 87 CO 0.30 -0.08 1.76 0.74 0.52 0.00 0.00 175.17 178.41 3h5d h THR 88 N 5.86 0.90 0.20 1.71 2.02 -1.95 -2.05 112.91 119.60 3h5d h THR 88 Ca -0.38 -0.12 0.01 0.00 0.77 0.00 0.00 66.41 66.69 3h5d h THR 88 Cb 1.14 0.52 -0.04 0.00 -1.74 0.00 0.00 68.15 68.03 3h5d h THR 88 CO 0.60 0.06 -0.50 -0.09 0.37 0.00 0.00 175.52 175.96 3h5d h ARG 89 N 0.35 -0.76 -0.60 6.66 9.65 -1.98 -0.65 114.38 127.05 3h5d h ARG 89 Ca 0.19 0.05 0.13 0.00 -1.10 0.00 0.00 59.98 59.25 3h5d h ARG 89 Cb 0.16 0.17 -0.03 0.00 -1.39 0.00 0.00 29.97 28.88 3h5d h ARG 89 CO -0.18 -0.51 0.41 -0.44 2.80 0.00 0.00 179.97 182.05 3h5d h ASP 90 N -0.79 0.25 -0.33 -3.80 3.32 -1.93 -1.68 116.42 111.45 3h5d h ASP 90 Ca -0.01 0.01 -0.12 0.00 0.02 0.00 0.00 57.03 56.93 3h5d h ASP 90 Cb 0.77 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.27 3h5d h ASP 90 CO -0.23 0.14 -0.26 0.28 -1.72 0.00 0.00 179.24 177.44 3h5d h SER 91 N 0.27 0.80 -0.09 6.45 0.02 -0.64 -2.00 113.55 118.35 3h5d h SER 91 Ca 0.29 -0.45 0.02 0.00 -0.84 0.00 0.00 61.79 60.80 3h5d h SER 91 Cb 0.76 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 63.06 3h5d h SER 91 CO -0.06 1.08 -0.01 0.40 -1.14 0.00 0.00 176.83 177.10 3h5d h ILE 92 N 0.52 0.93 -0.59 3.27 2.04 -0.22 -0.07 117.51 123.40 3h5d h ILE 92 Ca 0.06 -0.01 -0.03 0.00 1.00 0.00 0.00 64.86 65.88 3h5d h ILE 92 Cb 0.83 0.91 -0.03 0.00 -0.74 0.00 0.00 36.82 37.79 3h5d h ILE 92 CO 0.07 0.00 0.25 -0.33 0.00 0.00 0.00 178.15 178.14 3h5d h GLU 93 N 0.02 0.87 -0.13 2.37 4.39 -1.47 -2.02 114.58 118.61 3h5d h GLU 93 Ca 0.04 -0.15 -0.18 0.00 0.34 0.00 0.00 59.36 59.41 3h5d h GLU 93 Cb 0.05 -0.15 -0.00 0.00 -0.10 0.00 0.00 28.75 28.56 3h5d h GLU 93 CO -0.08 0.74 -0.68 0.35 -1.16 0.00 0.00 179.01 178.18 3h5d h PHE 94 N 0.81 0.69 -0.61 4.33 3.57 -1.23 -1.66 116.94 122.84 3h5d h PHE 94 Ca 0.20 -0.28 -0.07 0.00 3.53 0.00 0.00 57.97 61.34 3h5d h PHE 94 Cb 0.18 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 38.78 3h5d h PHE 94 CO 0.01 1.05 0.08 -0.24 -2.23 0.00 0.00 178.31 176.98 3h5d h VAL 95 N 0.37 1.25 -0.50 1.41 3.04 -0.94 -1.47 116.25 119.43 3h5d h VAL 95 Ca -0.02 -1.01 0.03 0.00 -1.01 0.00 0.00 66.70 64.69 3h5d h VAL 95 Cb 1.25 0.70 -0.04 0.00 -2.01 0.00 0.00 31.29 31.20 3h5d h VAL 95 CO 0.12 0.37 0.29 0.11 -1.01 0.00 0.00 177.57 177.45 3h5d h LYS 96 N 0.94 0.55 -0.79 4.17 1.79 -1.24 -2.57 116.57 119.41 3h5d h LYS 96 Ca 0.19 -0.03 -0.03 0.00 -2.18 0.00 0.00 60.65 58.59 3h5d h LYS 96 Cb 0.43 -0.12 -0.04 0.00 -1.58 0.00 0.00 32.23 30.92 3h5d h LYS 96 CO 0.01 0.36 0.38 0.93 -1.08 0.00 0.00 179.45 180.06 3h5d h GLU 97 N 0.57 1.14 -0.00 3.15 5.08 -0.81 -2.63 114.58 121.07 3h5d h GLU 97 Ca 0.21 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 3h5d h GLU 97 Cb 0.05 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.10 3h5d h GLU 97 CO -0.11 0.89 -0.10 0.28 -1.00 0.00 0.00 179.01 178.97 3h5d n VAL 98 N -4.36 0.00 -0.00 3.13 0.31 -0.60 -1.42 118.33 115.40 3h5d n VAL 98 Ca 0.07 -0.07 -0.20 0.00 -0.01 0.00 0.00 64.34 64.13 3h5d n VAL 98 Cb 0.14 -0.06 -0.14 0.00 -0.91 0.00 0.00 33.84 32.87 3h5d n VAL 98 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3h5d n ALA 99 N -0.85 0.98 -0.11 3.52 0.00 -0.98 -3.29 120.51 119.77 3h5d n ALA 99 Ca 0.15 -0.62 -0.07 0.00 0.00 0.00 0.00 53.44 52.90 3h5d n ALA 99 Cb 0.27 -0.69 0.01 0.00 0.00 0.00 0.00 19.45 19.05 3h5d n ALA 99 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3h5d h GLU 100 N 0.06 0.38 -0.30 0.00 5.08 -1.36 -1.52 114.58 116.91 3h5d h GLU 100 Ca -0.41 -0.02 0.09 0.00 -1.00 0.00 0.00 59.36 58.01 3h5d h GLU 100 Cb 2.03 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 31.18 3h5d h GLU 100 CO 0.08 0.25 0.24 0.35 -1.00 0.00 0.00 179.01 178.93 3h5d h PHE 101 N 0.39 0.00 -2.89 4.33 3.04 -1.39 -3.48 116.94 116.94 3h5d h PHE 101 Ca 0.15 0.00 0.30 0.00 3.98 0.00 0.00 57.97 62.40 3h5d h PHE 101 Cb 0.05 0.00 -0.08 0.00 2.56 0.00 0.00 35.95 38.49 3h5d h PHE 101 CO -0.09 0.00 -0.40 0.41 -2.02 0.00 0.00 178.31 176.21 3h5d n GLY 102 N -1.55 -1.63 2.52 2.40 0.00 -0.57 -4.91 105.19 101.45 3h5d n GLY 102 Ca 0.04 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 44.99 3h5d n GLY 102 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h5d n GLY 103 N -3.26 0.67 3.22 -0.02 0.00 -1.26 -4.94 105.19 99.59 3h5d n GLY 103 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 3h5d n GLY 103 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3h5d s PHE 104 N -2.74 2.73 -0.11 1.61 0.08 -1.26 -4.54 117.98 113.75 3h5d s PHE 104 Ca 0.00 -1.18 0.22 0.00 0.12 0.00 0.00 56.93 56.08 3h5d s PHE 104 Cb 0.00 -1.86 0.53 0.00 -0.57 0.00 0.00 43.02 41.12 3h5d s PHE 104 CO 0.00 -0.54 1.66 0.00 -0.10 0.00 0.00 175.22 176.24 3h5d h ALA 105 N 7.33 0.90 -2.23 5.36 0.00 -1.03 -3.07 119.26 126.52 3h5d h ALA 105 Ca -0.33 -0.22 0.20 0.00 0.00 0.00 0.00 54.91 54.57 3h5d h ALA 105 Cb 1.19 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.87 3h5d h ALA 105 CO 0.56 0.30 0.58 0.00 0.00 0.00 0.00 179.25 180.69 3h5d s ALA 106 N -3.31 -1.75 0.19 0.00 0.00 -1.23 -1.07 121.76 114.59 3h5d s ALA 106 Ca 0.03 0.09 0.11 0.00 0.00 0.00 0.00 51.96 52.20 3h5d s ALA 106 Cb 0.08 0.63 -0.04 0.00 0.00 0.00 0.00 23.12 23.78 3h5d s ALA 106 CO 0.67 -1.05 -0.23 0.20 0.00 0.00 0.00 175.76 175.35 3h5d s GLY 107 N -3.09 1.70 -0.16 0.00 0.00 -0.40 -0.97 107.32 104.41 3h5d s GLY 107 Ca 0.15 -1.62 -0.06 0.00 0.00 0.00 0.00 44.72 43.20 3h5d s GLY 107 CO 0.02 -1.64 0.04 -2.27 0.00 0.00 0.00 173.10 169.25 3h5d s LEU 108 N -2.64 3.71 -0.25 0.66 2.96 0.52 -0.66 118.68 122.99 3h5d s LEU 108 Ca 0.21 0.08 0.02 0.00 -0.22 0.00 0.00 54.13 54.21 3h5d s LEU 108 Cb -0.08 -1.91 0.06 0.00 0.50 0.00 0.00 46.19 44.76 3h5d s LEU 108 CO 0.10 0.22 -0.07 0.00 -1.32 0.00 0.00 176.35 175.28 3h5d s ALA 109 N 0.08 2.31 0.52 5.97 0.00 -0.63 -1.05 121.76 128.97 3h5d s ALA 109 Ca 0.04 -1.64 -0.20 0.00 0.00 0.00 0.00 51.96 50.16 3h5d s ALA 109 Cb -0.12 -1.55 -0.06 0.00 0.00 0.00 0.00 23.12 21.39 3h5d s ALA 109 CO 0.01 -1.23 1.15 -1.50 0.00 0.00 0.00 175.76 174.19 3h5d s ILE 110 N 1.22 3.08 0.17 0.00 2.07 -1.26 -1.06 121.20 125.42 3h5d s ILE 110 Ca -0.06 0.72 -0.30 0.00 -1.41 0.00 0.00 60.65 59.60 3h5d s ILE 110 Cb -0.19 -3.31 -0.08 0.00 0.13 0.00 0.00 42.46 39.01 3h5d s ILE 110 CO -0.06 -0.11 1.16 0.68 -1.91 0.00 0.00 174.94 174.70 3h5d s VAL 111 N -1.68 3.74 0.14 4.00 -7.23 -0.86 -4.67 120.40 113.84 3h5d s VAL 111 Ca 0.70 1.46 -0.34 0.00 -1.81 0.00 0.00 61.98 61.99 3h5d s VAL 111 Cb -0.26 -3.93 -0.17 0.00 0.56 0.00 0.00 36.38 32.58 3h5d s VAL 111 CO 0.30 0.23 1.00 -2.65 -0.31 0.00 0.00 175.10 173.67 3h5d n PRO 112 N 2.61 0.64 -3.55 4.82 -0.02 -1.26 -4.92 135.00 133.31 3h5d n PRO 112 Ca 0.04 0.23 -0.21 0.00 -2.02 0.00 0.00 63.50 61.54 3h5d n PRO 112 Cb 0.45 -1.62 -0.01 0.00 -0.02 0.00 0.00 33.50 32.31 3h5d n PRO 112 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 3h5d s TYR 113 N -0.32 3.30 0.00 6.00 1.13 -1.26 -4.40 117.35 121.80 3h5d s TYR 113 Ca 0.76 -0.01 0.00 0.00 -1.41 0.00 0.00 57.07 56.41 3h5d s TYR 113 Cb -0.97 -1.89 0.00 0.00 -1.10 0.00 0.00 41.96 38.00 3h5d s TYR 113 CO 0.54 0.10 0.00 0.98 -2.51 0.00 0.00 175.55 174.67 3h5d n TYR 114 N -1.65 0.00 1.20 -3.49 9.36 -1.26 -4.48 117.16 116.84 3h5d n TYR 114 Ca -0.03 0.00 0.13 0.00 3.32 0.00 0.00 57.90 61.31 3h5d n TYR 114 Cb 0.57 0.00 0.37 0.00 -0.63 0.00 0.00 39.34 39.66 3h5d n TYR 114 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 3h5d n ASN 115 N 2.89 0.83 -3.48 2.98 0.23 -1.26 -5.01 115.26 112.43 3h5d n ASN 115 Ca 0.00 -0.69 -0.20 0.00 -0.53 0.00 0.00 54.58 53.16 3h5d n ASN 115 Cb 0.00 0.13 0.01 0.00 -2.08 0.00 0.00 39.78 37.84 3h5d n ASN 115 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 3h5d n LYS 116 N -0.89 -1.65 -1.82 -3.83 5.02 -1.26 -4.93 118.16 108.80 3h5d n LYS 116 Ca 0.11 1.19 -0.33 0.00 -2.02 0.00 0.00 58.31 57.25 3h5d n LYS 116 Cb 0.34 -3.35 0.04 0.00 -0.02 0.00 0.00 35.03 32.04 3h5d n LYS 116 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3h5d s PRO 117 N -3.80 2.86 0.77 1.97 0.05 -1.26 -5.04 135.00 130.55 3h5d s PRO 117 Ca 0.10 1.44 -0.12 0.00 0.05 0.00 0.00 61.00 62.47 3h5d s PRO 117 Cb -0.01 -1.96 0.05 0.00 0.05 0.00 0.00 34.50 32.63 3h5d s PRO 117 CO 0.85 -1.21 1.11 -1.54 0.05 0.00 0.00 177.00 176.26 3h5d s SER 118 N -2.44 4.84 0.38 6.66 1.04 -1.26 -4.76 113.70 118.16 3h5d s SER 118 Ca 0.68 1.17 0.13 0.00 0.48 0.00 0.00 55.95 58.41 3h5d s SER 118 Cb -0.21 -1.90 0.96 0.00 0.10 0.00 0.00 66.02 64.96 3h5d s SER 118 CO 0.39 -1.73 1.85 1.56 0.98 0.00 0.00 173.24 176.29 3h5d h GLN 119 N -0.93 0.53 0.12 4.02 1.08 -1.97 0.25 115.11 118.22 3h5d h GLN 119 Ca -0.46 -0.03 -0.01 0.00 -1.45 0.00 0.00 58.65 56.70 3h5d h GLN 119 Cb 1.27 -0.12 0.00 0.00 -0.05 0.00 0.00 27.48 28.58 3h5d h GLN 119 CO 0.62 0.35 -0.06 1.49 -0.95 0.00 0.00 178.83 180.28 3h5d h GLU 120 N 0.54 -0.16 -0.63 1.46 4.57 -1.99 -1.27 114.58 117.11 3h5d h GLU 120 Ca 0.48 0.01 0.13 0.00 -1.18 0.00 0.00 59.36 58.80 3h5d h GLU 120 Cb 1.00 0.04 -0.11 0.00 -0.16 0.00 0.00 28.75 29.52 3h5d h GLU 120 CO -0.22 0.22 0.01 0.78 -1.18 0.00 0.00 179.01 178.62 3h5d h GLY 121 N -0.57 0.68 1.03 1.92 0.00 -1.54 0.13 103.07 104.72 3h5d h GLY 121 Ca -0.02 0.08 -0.04 0.00 0.00 0.00 0.00 47.33 47.36 3h5d h GLY 121 CO 0.03 -0.20 0.34 -0.33 0.00 0.00 0.00 176.54 176.37 3h5d h MET 122 N 0.13 1.12 0.50 4.80 2.86 -0.54 0.89 114.93 124.69 3h5d h MET 122 Ca 0.33 -0.18 -0.02 0.00 -2.06 0.00 0.00 59.70 57.77 3h5d h MET 122 Cb 0.54 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 32.00 3h5d h MET 122 CO -0.53 0.89 -0.38 -0.92 1.06 0.00 0.00 176.91 177.03 3h5d h TYR 123 N 1.09 -1.02 -0.08 -0.22 3.20 -0.01 -1.71 116.97 118.22 3h5d h TYR 123 Ca 0.26 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.15 3h5d h TYR 123 Cb 0.17 0.38 -0.00 0.00 1.54 0.00 0.00 36.73 38.81 3h5d h TYR 123 CO 0.01 -0.53 0.11 1.96 -1.64 0.00 0.00 178.16 178.07 3h5d h GLN 124 N -0.84 0.00 0.11 1.82 4.20 -0.67 -0.03 115.11 119.70 3h5d h GLN 124 Ca -0.07 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.64 3h5d h GLN 124 Cb 0.70 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.48 3h5d h GLN 124 CO 0.02 0.00 -0.05 1.25 -0.67 0.00 0.00 178.83 179.38 3h5d h HIS 125 N 0.00 -0.14 -0.39 2.96 2.76 -0.72 -3.12 115.15 116.51 3h5d h HIS 125 Ca 0.04 -0.00 -0.13 0.00 -2.20 0.00 0.00 60.37 58.07 3h5d h HIS 125 Cb 0.26 0.05 -0.01 0.00 1.55 0.00 0.00 27.41 29.26 3h5d h HIS 125 CO 0.00 0.36 -0.29 0.74 -1.30 0.00 0.00 177.93 177.44 3h5d h PHE 126 N -0.80 0.98 -0.59 5.26 0.04 -0.79 -2.37 116.94 118.67 3h5d h PHE 126 Ca -0.02 -0.25 0.05 0.00 2.80 0.00 0.00 57.97 60.55 3h5d h PHE 126 Cb 0.56 -0.22 -0.05 0.00 2.20 0.00 0.00 35.95 38.44 3h5d h PHE 126 CO 0.11 1.03 0.33 -0.22 -0.60 0.00 0.00 178.31 178.96 3h5d h LYS 127 N 0.72 0.61 0.63 1.51 3.64 -1.15 0.11 116.57 122.64 3h5d h LYS 127 Ca 0.08 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.40 3h5d h LYS 127 Cb 0.84 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.51 3h5d h LYS 127 CO 0.07 0.41 -0.51 0.00 -2.27 0.00 0.00 179.45 177.15 3h5d h ALA 128 N 1.30 -1.21 -0.97 5.00 0.00 -1.44 -0.45 119.26 121.50 3h5d h ALA 128 Ca 0.26 -0.22 0.13 0.00 0.00 0.00 0.00 54.91 55.08 3h5d h ALA 128 Cb 0.12 0.69 -0.08 0.00 0.00 0.00 0.00 17.79 18.52 3h5d h ALA 128 CO -0.15 -1.21 0.61 0.82 0.00 0.00 0.00 179.25 179.32 3h5d h ILE 129 N -1.10 0.89 0.00 0.00 2.04 -1.00 0.14 117.51 118.47 3h5d h ILE 129 Ca -0.08 -0.31 0.00 0.00 1.00 0.00 0.00 64.86 65.47 3h5d h ILE 129 Cb 0.92 -0.09 0.00 0.00 -0.74 0.00 0.00 36.82 36.91 3h5d h ILE 129 CO 0.01 0.16 0.00 0.00 0.00 0.00 0.00 178.15 178.32 3h5d h ALA 130 N 1.56 1.00 0.00 1.87 0.00 -0.59 -2.95 119.26 120.16 3h5d h ALA 130 Ca 0.49 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.40 3h5d h ALA 130 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.36 3h5d h ALA 130 CO -0.25 0.00 -1.03 -0.25 0.00 0.00 0.00 179.25 177.72 3h5d n ASP 131 N -2.62 0.62 -0.02 0.00 8.00 0.45 -4.46 116.55 118.52 3h5d n ASP 131 Ca 0.02 -0.10 0.12 0.00 0.71 0.00 0.00 54.79 55.54 3h5d n ASP 131 Cb 0.29 0.74 0.27 0.00 -0.02 0.00 0.00 41.12 42.40 3h5d n ASP 131 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3h5d n ALA 132 N -1.89 3.50 -2.94 2.24 0.00 -0.89 -4.99 120.51 115.55 3h5d n ALA 132 Ca 0.02 -0.35 -0.10 0.00 0.00 0.00 0.00 53.44 53.00 3h5d n ALA 132 Cb 0.46 -1.13 -0.06 0.00 0.00 0.00 0.00 19.45 18.72 3h5d n ALA 132 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3h5d s SER 133 N -2.97 0.06 0.25 0.00 0.15 -1.26 -4.62 113.70 105.32 3h5d s SER 133 Ca 0.12 -1.09 0.17 0.00 0.70 0.00 0.00 55.95 55.85 3h5d s SER 133 Cb 0.18 0.55 0.05 0.00 -1.71 0.00 0.00 66.02 65.09 3h5d s SER 133 CO 0.69 -1.09 1.32 0.44 1.20 0.00 0.00 173.24 175.79 3h5d h ASP 134 N 2.32 0.00 -3.33 5.45 3.32 -1.94 -3.45 116.42 118.79 3h5d h ASP 134 Ca -0.28 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.20 3h5d h ASP 134 Cb 1.25 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 40.74 3h5d h ASP 134 CO 0.40 0.42 0.98 -0.22 -1.72 0.00 0.00 179.24 179.10 3h5d s LEU 135 N -6.22 3.74 0.70 1.55 2.96 -1.26 -4.94 118.68 115.21 3h5d s LEU 135 Ca 0.03 0.91 -0.16 0.00 -0.22 0.00 0.00 54.13 54.68 3h5d s LEU 135 Cb 0.08 -3.54 -0.02 0.00 0.50 0.00 0.00 46.19 43.21 3h5d s LEU 135 CO 0.75 -1.21 0.80 -2.65 -1.32 0.00 0.00 176.35 172.73 3h5d n PRO 136 N 7.62 0.47 -4.48 0.98 -0.02 -1.26 -4.70 135.00 133.62 3h5d n PRO 136 Ca 0.14 0.21 -0.34 0.00 -2.02 0.00 0.00 63.50 61.49 3h5d n PRO 136 Cb 0.48 -2.06 -0.11 0.00 -0.02 0.00 0.00 33.50 31.78 3h5d n PRO 136 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3h5d s ILE 137 N -1.82 3.89 -0.09 4.25 -1.09 0.16 -1.28 121.20 125.22 3h5d s ILE 137 Ca 0.71 -0.38 0.01 0.00 -2.23 0.00 0.00 60.65 58.76 3h5d s ILE 137 Cb -0.36 -2.65 -0.02 0.00 -1.58 0.00 0.00 42.46 37.84 3h5d s ILE 137 CO 0.53 0.55 -0.11 -0.63 -1.23 0.00 0.00 174.94 174.04 3h5d s ILE 138 N -0.22 3.28 0.11 2.92 1.01 0.17 -0.07 121.20 128.40 3h5d s ILE 138 Ca 0.04 -0.62 -0.21 0.00 0.00 0.00 0.00 60.65 59.86 3h5d s ILE 138 Cb -0.13 -2.34 -0.07 0.00 0.01 0.00 0.00 42.46 39.93 3h5d s ILE 138 CO 0.02 0.56 0.63 -0.63 0.00 0.00 0.00 174.94 175.53 3h5d s ILE 139 N -0.31 4.64 -0.43 2.92 1.01 0.70 -1.60 121.20 128.12 3h5d s ILE 139 Ca 0.03 1.33 -0.00 0.00 0.00 0.00 0.00 60.65 62.01 3h5d s ILE 139 Cb -0.13 -3.95 0.12 0.00 0.01 0.00 0.00 42.46 38.51 3h5d s ILE 139 CO 0.03 0.52 0.20 -0.47 0.00 0.00 0.00 174.94 175.21 3h5d s TYR 140 N -1.16 3.57 -0.51 3.97 5.04 -0.22 0.25 117.35 128.29 3h5d s TYR 140 Ca 0.32 -2.71 -0.13 0.00 -2.44 0.00 0.00 57.07 52.11 3h5d s TYR 140 Cb -0.20 -3.10 0.13 0.00 0.35 0.00 0.00 41.96 39.14 3h5d s TYR 140 CO 0.21 -0.92 0.43 1.21 -1.34 0.00 0.00 175.55 175.14 3h5d s ASN 141 N 1.17 5.98 -0.40 4.32 2.47 -0.68 -2.03 114.94 125.77 3h5d s ASN 141 Ca 0.11 -1.87 0.02 0.00 0.42 0.00 0.00 52.86 51.55 3h5d s ASN 141 Cb -0.22 -2.12 0.15 0.00 -1.45 0.00 0.00 41.25 37.62 3h5d s ASN 141 CO -0.05 -0.78 0.28 -0.51 -3.72 0.00 0.00 177.10 172.32 3h5d s ILE 142 N 1.46 0.50 0.65 -5.21 2.07 -1.26 -1.81 121.20 117.59 3h5d s ILE 142 Ca 0.05 -2.29 0.27 0.00 -1.41 0.00 0.00 60.65 57.26 3h5d s ILE 142 Cb -0.28 -1.36 0.29 0.00 0.13 0.00 0.00 42.46 41.24 3h5d s ILE 142 CO 0.01 -1.08 1.81 -0.65 -1.91 0.00 0.00 174.94 173.13 3h5d h PRO 143 N 6.37 0.00 0.00 3.50 0.11 -1.75 -1.63 132.00 138.60 3h5d h PRO 143 Ca 0.14 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.25 3h5d h PRO 143 Cb 0.93 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.04 3h5d h PRO 143 CO 0.35 0.00 0.00 0.78 -0.21 0.00 0.00 178.00 178.92 3h5d h GLY 144 N 0.00 0.00 0.00 -0.55 0.00 -1.86 0.19 103.07 100.85 3h5d h GLY 144 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.38 3h5d h GLY 144 CO -0.00 0.00 -0.22 0.54 0.00 0.00 0.00 176.54 176.86 3h5d n ARG 145 N -2.37 4.60 -0.00 4.80 1.74 -0.67 -4.79 116.66 119.97 3h5d n ARG 145 Ca 0.03 0.00 0.04 0.00 -0.77 0.00 0.00 57.85 57.15 3h5d n ARG 145 Cb 0.32 -0.55 -0.05 0.00 -1.02 0.00 0.00 32.46 31.16 3h5d n ARG 145 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3h5d n VAL 146 N -0.95 0.00 0.00 1.55 0.31 -0.88 -4.85 118.33 113.51 3h5d n VAL 146 Ca 0.00 -0.20 0.00 0.00 -0.01 0.00 0.00 64.34 64.13 3h5d n VAL 146 Cb 0.00 0.49 0.00 0.00 -0.91 0.00 0.00 33.84 33.42 3h5d n VAL 146 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 3h5d n VAL 147 N -1.62 0.00 -1.49 2.52 0.31 0.05 -4.32 118.33 113.78 3h5d n VAL 147 Ca -0.01 0.00 -0.32 0.00 -0.01 0.00 0.00 64.34 64.00 3h5d n VAL 147 Cb 0.17 0.00 0.07 0.00 -0.91 0.00 0.00 33.84 33.17 3h5d n VAL 147 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 3h5d s VAL 148 N 0.00 3.30 -0.05 2.52 -7.23 -1.26 -4.66 120.40 113.02 3h5d s VAL 148 Ca 0.00 0.50 0.04 0.00 -1.81 0.00 0.00 61.98 60.71 3h5d s VAL 148 Cb 0.00 -3.01 -0.02 0.00 0.56 0.00 0.00 36.38 33.91 3h5d s VAL 148 CO 0.00 -0.47 -0.17 -1.61 -0.31 0.00 0.00 175.10 172.54 3h5d s GLU 149 N -4.54 2.46 -0.19 4.82 2.02 -1.26 -4.04 118.70 117.96 3h5d s GLU 149 Ca 0.64 -0.75 -0.25 0.00 0.02 0.00 0.00 54.97 54.63 3h5d s GLU 149 Cb -0.19 -2.31 -0.01 0.00 0.10 0.00 0.00 34.13 31.72 3h5d s GLU 149 CO 0.49 0.59 0.84 -1.17 0.02 0.00 0.00 175.26 176.03 3h5d s LEU 150 N -0.66 4.14 0.60 1.80 2.96 -1.26 -4.92 118.68 121.35 3h5d s LEU 150 Ca 0.10 1.13 -0.15 0.00 -0.22 0.00 0.00 54.13 54.99 3h5d s LEU 150 Cb -0.11 -3.23 -0.03 0.00 0.50 0.00 0.00 46.19 43.32 3h5d s LEU 150 CO 0.00 -0.44 1.05 0.42 -1.32 0.00 0.00 176.35 176.06 3h5d s THR 151 N 2.40 3.94 0.20 3.68 -4.23 -1.26 -4.78 115.64 115.59 3h5d s THR 151 Ca 0.37 0.87 -0.10 0.00 -1.18 0.00 0.00 61.69 61.65 3h5d s THR 151 Cb -0.16 -3.43 0.14 0.00 1.34 0.00 0.00 72.50 70.39 3h5d s THR 151 CO 0.11 -0.59 1.73 -0.65 -0.54 0.00 0.00 174.62 174.67 3h5d h PRO 152 N 0.30 0.33 -0.46 3.99 0.11 -1.96 0.34 132.00 134.65 3h5d h PRO 152 Ca -0.46 -0.02 0.04 0.00 0.11 0.00 0.00 66.00 65.67 3h5d h PRO 152 Cb 1.21 -0.07 -0.04 0.00 0.11 0.00 0.00 31.00 32.21 3h5d h PRO 152 CO 0.58 0.22 0.23 1.49 -0.21 0.00 0.00 178.00 180.31 3h5d h GLU 153 N 0.34 0.44 -0.34 1.05 4.81 -1.98 0.93 114.58 119.84 3h5d h GLU 153 Ca 0.29 -0.03 -0.13 0.00 -0.13 0.00 0.00 59.36 59.37 3h5d h GLU 153 Cb 0.38 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 3h5d h GLU 153 CO -0.33 0.29 -0.32 1.15 -0.73 0.00 0.00 179.01 179.08 3h5d h THR 154 N 0.46 1.28 -0.18 0.32 2.02 -1.80 -0.79 112.91 114.22 3h5d h THR 154 Ca 0.20 -1.46 -0.12 0.00 0.77 0.00 0.00 66.41 65.80 3h5d h THR 154 Cb 0.11 1.36 -0.01 0.00 -1.74 0.00 0.00 68.15 67.87 3h5d h THR 154 CO -0.14 0.48 -0.40 -0.03 0.37 0.00 0.00 175.52 175.80 3h5d h MET 155 N 0.62 0.41 0.00 6.66 1.85 0.09 -2.78 114.93 121.77 3h5d h MET 155 Ca 0.07 -0.20 -0.07 0.00 -0.61 0.00 0.00 59.70 58.89 3h5d h MET 155 Cb 0.84 -0.00 -0.01 0.00 0.43 0.00 0.00 31.60 32.86 3h5d h MET 155 CO 0.07 0.74 -0.32 -0.07 -0.40 0.00 0.00 176.91 176.93 3h5d h LEU 156 N 0.34 0.00 -0.08 3.39 3.38 0.13 -2.13 115.31 120.33 3h5d h LEU 156 Ca 0.03 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 3h5d h LEU 156 Cb 0.85 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.60 3h5d h LEU 156 CO 0.07 0.32 -0.01 0.03 0.09 0.00 0.00 178.44 178.94 3h5d h ARG 157 N 0.00 0.16 -0.24 1.13 3.08 -1.00 -3.16 114.38 114.34 3h5d h ARG 157 Ca -0.00 -0.06 -0.11 0.00 0.07 0.00 0.00 59.98 59.88 3h5d h ARG 157 Cb 1.01 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.04 3h5d h ARG 157 CO 0.04 0.46 -0.32 -0.07 -1.07 0.00 0.00 179.97 179.01 3h5d h LEU 158 N -0.16 0.52 -2.01 3.04 3.38 -1.50 -2.94 115.31 115.65 3h5d h LEU 158 Ca 0.02 -0.20 0.09 0.00 0.09 0.00 0.00 57.88 57.88 3h5d h LEU 158 Cb 0.40 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 3h5d h LEU 158 CO 0.01 0.81 0.22 0.00 0.09 0.00 0.00 178.44 179.57 3h5d h ALA 159 N 1.22 2.27 0.00 1.53 0.00 -1.37 0.22 119.26 123.13 3h5d h ALA 159 Ca 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3h5d h ALA 159 Cb 0.77 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.58 3h5d h ALA 159 CO 0.06 -0.38 0.00 -0.25 0.00 0.00 0.00 179.25 178.68 3h5d n ASP 160 N -4.41 0.00 -4.73 0.00 8.00 -1.11 -4.74 116.55 109.57 3h5d n ASP 160 Ca 0.04 -0.07 -0.41 0.00 0.71 0.00 0.00 54.79 55.07 3h5d n ASP 160 Cb 0.39 -0.16 -0.04 0.00 -0.02 0.00 0.00 41.12 41.29 3h5d n ASP 160 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 3h5d s HIS 161 N -2.32 3.70 0.19 1.24 2.46 0.76 -4.96 115.29 116.37 3h5d s HIS 161 Ca 0.12 1.54 -0.14 0.00 0.47 0.00 0.00 55.06 57.06 3h5d s HIS 161 Cb 0.07 -2.93 0.20 0.00 -0.13 0.00 0.00 32.58 29.79 3h5d s HIS 161 CO 0.14 0.16 1.66 -1.35 -2.47 0.00 0.00 174.74 172.88 3h5d h PRO 162 N 6.11 0.05 -0.37 2.88 0.11 -1.87 -2.52 132.00 136.38 3h5d h PRO 162 Ca -0.42 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3h5d h PRO 162 Cb 1.21 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3h5d h PRO 162 CO 0.73 0.03 0.00 -1.71 -0.21 0.00 0.00 178.00 176.84 3h5d n ASN 163 N -5.32 2.34 -4.37 -2.05 5.15 -1.26 -4.70 115.26 105.04 3h5d n ASN 163 Ca 0.06 -1.92 -0.36 0.00 -0.60 0.00 0.00 54.58 51.76 3h5d n ASN 163 Cb 0.29 -0.24 -0.13 0.00 -0.53 0.00 0.00 39.78 39.17 3h5d n ASN 163 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3h5d s ILE 164 N -1.51 3.81 -0.02 -1.44 1.01 -0.95 0.37 121.20 122.47 3h5d s ILE 164 Ca 0.32 -0.35 0.02 0.00 0.00 0.00 0.00 60.65 60.64 3h5d s ILE 164 Cb 0.17 -2.76 0.04 0.00 0.01 0.00 0.00 42.46 39.92 3h5d s ILE 164 CO 0.23 0.38 0.92 2.30 0.00 0.00 0.00 174.94 178.77 3h5d n ILE 165 N 4.86 0.88 0.00 2.92 -5.35 0.89 -4.54 119.36 119.02 3h5d n ILE 165 Ca -0.17 -0.93 0.00 0.00 -0.27 0.00 0.00 62.75 61.38 3h5d n ILE 165 Cb 0.51 0.50 0.00 0.00 -1.74 0.00 0.00 39.64 38.91 3h5d n ILE 165 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3h5d n GLY 166 N -0.50 0.58 2.94 3.28 0.00 -1.24 -1.29 105.19 108.95 3h5d n GLY 166 Ca 0.02 -1.08 -0.13 0.00 0.00 0.00 0.00 46.02 44.84 3h5d n GLY 166 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h5d s VAL 167 N -2.00 -0.01 -0.54 1.61 0.11 -0.69 -0.21 120.40 118.67 3h5d s VAL 167 Ca 0.00 0.04 -0.22 0.00 -2.93 0.00 0.00 61.98 58.87 3h5d s VAL 167 Cb 0.00 -0.13 0.05 0.00 -1.53 0.00 0.00 36.38 34.77 3h5d s VAL 167 CO 0.00 0.02 0.79 -0.75 -3.33 0.00 0.00 175.10 171.83 3h5d s LYS 168 N 0.27 3.21 -0.26 1.54 2.20 0.69 -1.23 119.74 126.17 3h5d s LYS 168 Ca -0.02 -0.62 -0.09 0.00 -0.36 0.00 0.00 55.97 54.88 3h5d s LYS 168 Cb -0.03 -4.09 -0.04 0.00 -1.51 0.00 0.00 37.83 32.16 3h5d s LYS 168 CO -0.01 -1.39 0.13 -2.00 -0.36 0.00 0.00 175.35 171.72 3h5d s GLU 169 N 3.32 3.83 -0.44 4.03 2.56 0.15 -1.68 118.70 130.47 3h5d s GLU 169 Ca 0.22 -0.39 0.09 0.00 0.00 0.00 0.00 54.97 54.90 3h5d s GLU 169 Cb -0.16 -3.47 0.32 0.00 2.00 0.00 0.00 34.13 32.82 3h5d s GLU 169 CO 0.15 -0.13 0.75 0.00 -0.56 0.00 0.00 175.26 175.47 3h5d n THR 171 N 0.39 0.00 -4.25 0.00 -2.24 -1.26 -4.31 114.28 102.61 3h5d n THR 171 Ca 0.26 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.90 3h5d n THR 171 Cb 0.56 0.00 -0.10 0.00 -2.10 0.00 0.00 70.33 68.69 3h5d n THR 171 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3h5d s SER 172 N 1.00 1.77 0.31 3.42 1.04 -1.26 -5.02 113.70 114.95 3h5d s SER 172 Ca 0.00 -1.03 0.26 0.00 0.48 0.00 0.00 55.95 55.66 3h5d s SER 172 Cb 0.00 -0.00 0.92 0.00 0.10 0.00 0.00 66.02 67.04 3h5d s SER 172 CO 0.00 -0.35 1.77 -0.07 0.98 0.00 0.00 173.24 175.56 3h5d h LEU 173 N 2.76 0.00 -0.30 2.42 3.38 -1.99 -1.02 115.31 120.56 3h5d h LEU 173 Ca -0.37 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.40 3h5d h LEU 173 Cb 1.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.94 3h5d h LEU 173 CO 0.64 0.00 -0.72 0.00 0.09 0.00 0.00 178.44 178.44 3h5d h ALA 174 N 2.28 0.47 -0.02 1.53 0.00 -1.99 -2.13 119.26 119.40 3h5d h ALA 174 Ca 0.00 -0.59 -0.10 0.00 0.00 0.00 0.00 54.91 54.22 3h5d h ALA 174 Cb 0.58 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.33 3h5d h ALA 174 CO 0.00 0.72 -0.39 -0.91 0.00 0.00 0.00 179.25 178.67 3h5d h ASN 175 N 0.43 0.38 -0.43 0.00 2.35 -1.89 -3.18 115.58 113.24 3h5d h ASN 175 Ca -0.03 -0.74 -0.06 0.00 -0.55 0.00 0.00 56.30 54.93 3h5d h ASN 175 Cb 1.32 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 39.56 3h5d h ASN 175 CO 0.14 1.06 0.08 -0.03 -1.65 0.00 0.00 177.43 177.03 3h5d h MET 176 N -0.27 0.78 -0.71 0.81 4.05 -1.28 0.38 114.93 118.67 3h5d h MET 176 Ca -0.04 -0.17 0.13 0.00 -0.28 0.00 0.00 59.70 59.34 3h5d h MET 176 Cb 1.10 -0.11 -0.09 0.00 -0.80 0.00 0.00 31.60 31.70 3h5d h MET 176 CO 0.08 0.73 0.26 0.00 0.23 0.00 0.00 176.91 178.20 3h5d h ALA 177 N 1.35 0.97 -0.24 0.39 0.00 -1.47 -0.14 119.26 120.12 3h5d h ALA 177 Ca 0.16 0.12 -0.14 0.00 0.00 0.00 0.00 54.91 55.05 3h5d h ALA 177 Cb 0.33 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 3h5d h ALA 177 CO 0.00 -0.23 -0.40 -0.92 0.00 0.00 0.00 179.25 177.70 3h5d h TYR 178 N 0.40 0.86 0.40 0.00 3.20 -1.17 -1.51 116.97 119.16 3h5d h TYR 178 Ca 0.39 -0.30 -0.01 0.00 3.14 0.00 0.00 58.73 61.95 3h5d h TYR 178 Cb 0.58 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.67 3h5d h TYR 178 CO -0.19 1.07 -0.31 -0.07 -1.64 0.00 0.00 178.16 177.02 3h5d h LEU 179 N 0.40 -0.81 -1.32 2.82 4.07 -0.69 -2.00 115.31 117.78 3h5d h LEU 179 Ca 0.02 0.06 0.20 0.00 0.08 0.00 0.00 57.88 58.24 3h5d h LEU 179 Cb 0.99 0.26 -0.08 0.00 1.08 0.00 0.00 40.66 42.91 3h5d h LEU 179 CO 0.09 -0.46 0.61 0.40 -1.08 0.00 0.00 178.44 178.00 3h5d h ILE 180 N -0.71 0.68 -0.30 1.22 2.04 -0.95 0.03 117.51 119.52 3h5d h ILE 180 Ca -0.04 -0.19 -0.18 0.00 1.00 0.00 0.00 64.86 65.46 3h5d h ILE 180 Cb 0.61 0.09 -0.00 0.00 -0.74 0.00 0.00 36.82 36.78 3h5d h ILE 180 CO -0.00 0.10 -0.52 -0.33 0.00 0.00 0.00 178.15 177.40 3h5d h GLU 181 N 0.54 0.89 -0.10 2.37 4.39 -0.99 -3.36 114.58 118.32 3h5d h GLU 181 Ca 0.52 -0.55 0.00 0.00 0.34 0.00 0.00 59.36 59.67 3h5d h GLU 181 Cb 1.10 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.80 3h5d h GLU 181 CO -0.25 1.19 0.00 0.72 -1.16 0.00 0.00 179.01 179.50 3h5d n HIS 182 N -4.03 0.12 -1.61 4.33 8.25 -0.78 -5.04 115.22 116.47 3h5d n HIS 182 Ca -0.04 -0.14 -0.41 0.00 -0.26 0.00 0.00 57.72 56.87 3h5d n HIS 182 Cb 0.61 -0.01 0.02 0.00 1.12 0.00 0.00 29.99 31.73 3h5d n HIS 182 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 3h5d n LYS 183 N 0.56 1.29 0.00 -0.41 2.85 -0.07 -5.02 118.16 117.37 3h5d n LYS 183 Ca 0.08 0.47 0.00 0.00 -1.05 0.00 0.00 58.31 57.80 3h5d n LYS 183 Cb 0.31 -2.05 0.00 0.00 -0.65 0.00 0.00 35.03 32.64 3h5d n LYS 183 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 177.40 175.05 3h5d n PRO 184 N 0.03 1.62 -0.05 -1.58 -0.02 -1.26 -5.02 135.00 128.72 3h5d n PRO 184 Ca 0.10 0.00 -0.03 0.00 -2.02 0.00 0.00 63.50 61.54 3h5d n PRO 184 Cb 0.40 0.00 -0.01 0.00 -0.02 0.00 0.00 33.50 33.87 3h5d n PRO 184 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3h5d n GLU 185 N 0.00 0.32 -2.39 -0.52 4.71 -1.26 -4.54 120.64 116.96 3h5d n GLU 185 Ca 0.00 0.45 -0.43 0.00 -0.01 0.00 0.00 57.16 57.17 3h5d n GLU 185 Cb 0.00 -1.42 0.00 0.00 -1.01 0.00 0.00 31.44 29.01 3h5d n GLU 185 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 3h5d n GLU 186 N -3.94 3.44 -3.24 3.49 -0.58 -1.26 -4.83 120.64 113.72 3h5d n GLU 186 Ca -0.05 -3.45 -0.04 0.00 -0.42 0.00 0.00 57.16 53.20 3h5d n GLU 186 Cb 0.19 -3.03 -0.04 0.00 -0.57 0.00 0.00 31.44 27.99 3h5d n GLU 186 CO 0.00 0.00 0.00 0.12 -0.48 0.00 0.00 177.13 176.77 3h5d s PHE 187 N 1.22 -1.33 0.32 -0.32 5.36 -1.26 -4.41 117.98 117.56 3h5d s PHE 187 Ca 0.42 0.74 -0.24 0.00 -0.96 0.00 0.00 56.93 56.89 3h5d s PHE 187 Cb 0.07 0.08 -0.10 0.00 -0.34 0.00 0.00 43.02 42.74 3h5d s PHE 187 CO -0.00 -0.99 0.91 -0.51 -1.46 0.00 0.00 175.22 173.16 3h5d s LEU 188 N 2.67 4.28 -0.21 6.12 1.02 -0.41 -4.85 118.68 127.30 3h5d s LEU 188 Ca 0.11 1.74 -0.01 0.00 0.02 0.00 0.00 54.13 55.99 3h5d s LEU 188 Cb -0.12 -4.02 0.02 0.00 0.02 0.00 0.00 46.19 42.08 3h5d s LEU 188 CO -0.27 -0.09 -0.13 -0.63 0.02 0.00 0.00 176.35 175.25 3h5d s ILE 189 N -1.69 2.56 0.08 -0.59 1.09 -1.26 -1.70 121.20 119.70 3h5d s ILE 189 Ca 0.51 -0.88 0.09 0.00 -1.10 0.00 0.00 60.65 59.27 3h5d s ILE 189 Cb -0.17 -2.17 -0.03 0.00 -1.06 0.00 0.00 42.46 39.02 3h5d s ILE 189 CO 0.22 0.41 -0.24 -0.31 -0.10 0.00 0.00 174.94 174.92 3h5d s TYR 190 N 1.34 2.39 0.09 3.97 2.02 -0.36 -0.97 117.35 125.82 3h5d s TYR 190 Ca 0.03 -0.35 -0.15 0.00 -0.37 0.00 0.00 57.07 56.23 3h5d s TYR 190 Cb -0.14 -1.35 -0.06 0.00 -0.40 0.00 0.00 41.96 40.00 3h5d s TYR 190 CO -0.08 0.26 0.50 0.99 -1.57 0.00 0.00 175.55 175.65 3h5d s THR 191 N -0.97 4.91 -1.04 -0.71 2.01 -1.01 0.30 115.64 119.13 3h5d s THR 191 Ca 0.14 0.86 0.17 0.00 0.31 0.00 0.00 61.69 63.17 3h5d s THR 191 Cb -0.10 -3.75 0.60 0.00 0.01 0.00 0.00 72.50 69.26 3h5d s THR 191 CO 0.05 0.40 1.51 0.61 -0.69 0.00 0.00 174.62 176.50 3h5d n GLY 192 N 1.25 2.92 3.22 4.40 0.00 -1.15 -1.54 105.19 114.29 3h5d n GLY 192 Ca -0.09 -0.77 -0.39 0.00 0.00 0.00 0.00 46.02 44.77 3h5d n GLY 192 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3h5d s GLU 193 N -1.72 2.45 0.39 1.61 0.41 -1.26 -4.94 118.70 115.64 3h5d s GLU 193 Ca 0.44 -1.57 0.07 0.00 -0.41 0.00 0.00 54.97 53.50 3h5d s GLU 193 Cb 0.28 -3.72 0.81 0.00 -1.78 0.00 0.00 34.13 29.72 3h5d s GLU 193 CO 0.22 -0.99 2.01 -0.44 -0.49 0.00 0.00 175.26 175.57 3h5d h ASP 194 N 8.31 0.56 -0.03 -0.19 3.32 -1.90 -2.38 116.42 124.11 3h5d h ASP 194 Ca -0.20 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.84 3h5d h ASP 194 Cb 1.07 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.49 3h5d h ASP 194 CO 0.75 0.38 0.00 0.61 -1.72 0.00 0.00 179.24 179.26 3h5d n GLY 195 N -1.47 -0.32 0.09 2.75 0.00 -1.26 -3.32 105.19 101.66 3h5d n GLY 195 Ca 0.07 -0.35 0.01 0.00 0.00 0.00 0.00 46.02 45.75 3h5d n GLY 195 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3h5d n ASP 196 N -0.21 1.52 0.01 1.61 8.00 -0.93 -4.72 116.55 121.83 3h5d n ASP 196 Ca 0.20 -1.40 -0.05 0.00 0.71 0.00 0.00 54.79 54.25 3h5d n ASP 196 Cb 0.26 -0.01 0.17 0.00 -0.02 0.00 0.00 41.12 41.51 3h5d n ASP 196 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3h5d h ALA 197 N 0.39 1.01 -0.01 2.24 0.00 -1.48 -0.53 119.26 120.88 3h5d h ALA 197 Ca 0.00 -0.38 0.03 0.00 0.00 0.00 0.00 54.91 54.56 3h5d h ALA 197 Cb 0.24 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.86 3h5d h ALA 197 CO 0.00 0.59 -0.44 0.35 0.00 0.00 0.00 179.25 179.76 3h5d h PHE 198 N 0.44 -1.24 -0.15 0.00 3.57 -1.84 -0.89 116.94 116.82 3h5d h PHE 198 Ca 0.06 0.04 -0.10 0.00 3.53 0.00 0.00 57.97 61.49 3h5d h PHE 198 Cb 0.75 0.55 -0.01 0.00 2.79 0.00 0.00 35.95 40.02 3h5d h PHE 198 CO 0.03 -0.51 -0.35 0.45 -2.23 0.00 0.00 178.31 175.69 3h5d h HIS 199 N -0.58 0.37 -0.44 0.41 3.86 -1.79 -2.69 115.15 114.28 3h5d h HIS 199 Ca 0.04 -0.09 -0.14 0.00 -1.16 0.00 0.00 60.37 59.02 3h5d h HIS 199 Cb 0.66 -0.09 -0.01 0.00 1.06 0.00 0.00 27.41 29.04 3h5d h HIS 199 CO -0.44 0.64 -0.28 0.00 0.86 0.00 0.00 177.93 178.70 3h5d h ALA 200 N 1.36 0.67 0.50 2.45 0.00 -1.04 -2.96 119.26 120.24 3h5d h ALA 200 Ca 0.03 -0.42 -0.02 0.00 0.00 0.00 0.00 54.91 54.50 3h5d h ALA 200 Cb 0.76 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.40 3h5d h ALA 200 CO 0.06 0.67 -0.24 0.52 0.00 0.00 0.00 179.25 180.26 3h5d h MET 201 N 0.80 -0.65 0.00 0.00 2.07 -0.85 -1.86 114.93 114.44 3h5d h MET 201 Ca 0.09 0.04 0.00 0.00 -2.07 0.00 0.00 59.70 57.76 3h5d h MET 201 Cb 0.86 0.15 0.00 0.00 -1.87 0.00 0.00 31.60 30.74 3h5d h MET 201 CO 0.08 -0.41 0.00 0.27 1.07 0.00 0.00 176.91 177.92 3h5d n ASN 202 N -5.36 0.00 -0.01 1.22 2.04 -1.05 -1.92 115.26 110.18 3h5d n ASN 202 Ca -0.12 0.08 -0.12 0.00 -0.44 0.00 0.00 54.58 53.98 3h5d n ASN 202 Cb 0.29 -0.29 -0.14 0.00 -2.53 0.00 0.00 39.78 37.12 3h5d n ASN 202 CO 0.00 0.00 0.00 0.25 -0.44 0.00 0.00 177.26 177.07 3h5d h LEU 203 N 0.00 0.12 0.00 -4.53 5.85 -1.29 -3.49 115.31 111.97 3h5d h LEU 203 Ca 0.00 -0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.47 3h5d h LEU 203 Cb 0.15 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.14 3h5d h LEU 203 CO 0.00 1.22 0.00 0.61 -0.34 0.00 0.00 178.44 179.93 3h5d n GLY 204 N 1.65 -0.47 3.78 3.75 0.00 -0.76 -5.02 105.19 108.12 3h5d n GLY 204 Ca -0.20 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.53 3h5d n GLY 204 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h5d s ALA 205 N -0.33 1.95 -1.22 4.61 0.00 -0.82 -4.96 121.76 120.98 3h5d s ALA 205 Ca 0.00 -0.28 0.25 0.00 0.00 0.00 0.00 51.96 51.93 3h5d s ALA 205 Cb 0.00 -3.10 0.47 0.00 0.00 0.00 0.00 23.12 20.49 3h5d s ALA 205 CO 0.00 -2.03 1.39 -0.25 0.00 0.00 0.00 175.76 174.87 3h5d n ASP 206 N -3.63 0.73 0.00 0.00 8.00 -0.14 -4.81 116.55 116.70 3h5d n ASP 206 Ca 0.07 -0.53 0.00 0.00 0.71 0.00 0.00 54.79 55.04 3h5d n ASP 206 Cb 0.57 0.31 0.00 0.00 -0.02 0.00 0.00 41.12 41.98 3h5d n ASP 206 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3h5d n GLY 207 N 1.46 0.23 3.07 0.44 0.00 -1.24 -4.31 105.19 104.84 3h5d n GLY 207 Ca 0.07 -1.30 -0.20 0.00 0.00 0.00 0.00 46.02 44.59 3h5d n GLY 207 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h5d s VAL 208 N -3.81 0.88 -0.44 1.61 0.11 0.36 -2.42 120.40 116.70 3h5d s VAL 208 Ca 0.00 -0.57 -0.15 0.00 -2.93 0.00 0.00 61.98 58.34 3h5d s VAL 208 Cb 0.00 -0.76 0.05 0.00 -1.53 0.00 0.00 36.38 34.14 3h5d s VAL 208 CO 0.00 0.18 0.34 -0.63 -3.33 0.00 0.00 175.10 171.66 3h5d s ILE 209 N -0.38 5.15 0.15 7.04 1.01 -0.59 -1.46 121.20 132.12 3h5d s ILE 209 Ca 0.03 -0.91 0.05 0.00 0.00 0.00 0.00 60.65 59.82 3h5d s ILE 209 Cb -0.05 -3.99 -0.04 0.00 0.01 0.00 0.00 42.46 38.39 3h5d s ILE 209 CO -0.00 -0.45 0.13 -0.55 0.00 0.00 0.00 174.94 174.07 3h5d s SER 210 N 2.16 5.53 -0.23 3.58 0.15 0.46 -4.49 113.70 120.86 3h5d s SER 210 Ca 0.04 -0.11 0.08 0.00 0.70 0.00 0.00 55.95 56.66 3h5d s SER 210 Cb -0.22 -1.45 -0.19 0.00 -1.71 0.00 0.00 66.02 62.44 3h5d s SER 210 CO 0.08 0.08 -0.11 0.52 1.20 0.00 0.00 173.24 175.01 3h5d n VAL 211 N -0.23 1.39 0.26 4.45 0.31 -1.26 -0.87 118.33 122.37 3h5d n VAL 211 Ca -0.08 -0.65 0.14 0.00 -0.01 0.00 0.00 64.34 63.74 3h5d n VAL 211 Cb 0.54 -1.03 0.63 0.00 -0.91 0.00 0.00 33.84 33.07 3h5d n VAL 211 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3h5d h ALA 212 N 0.37 1.04 0.00 3.52 0.00 -1.98 -2.63 119.26 119.58 3h5d h ALA 212 Ca -0.54 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.28 3h5d h ALA 212 Cb 1.99 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.76 3h5d h ALA 212 CO -0.04 0.12 0.00 -1.13 0.00 0.00 0.00 179.25 178.20 3h5d n SER 213 N -3.27 0.49 -0.26 0.00 3.41 -1.26 -0.09 113.62 112.64 3h5d n SER 213 Ca -0.00 0.73 -0.07 0.00 -0.26 0.00 0.00 58.87 59.27 3h5d n SER 213 Cb 0.33 -0.79 0.06 0.00 -0.26 0.00 0.00 64.21 63.55 3h5d n SER 213 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 175.04 175.33 3h5d h HIS 214 N 0.00 1.19 0.00 7.33 3.86 -1.80 -3.28 115.15 122.45 3h5d h HIS 214 Ca 0.00 -0.13 0.00 0.00 -1.16 0.00 0.00 60.37 59.08 3h5d h HIS 214 Cb 0.01 -0.34 0.00 0.00 1.06 0.00 0.00 27.41 28.14 3h5d h HIS 214 CO 0.00 0.96 -0.13 0.25 0.86 0.00 0.00 177.93 179.86 3h5d n THR 215 N -4.24 0.00 -0.69 2.45 -2.24 -0.34 -4.82 114.28 104.41 3h5d n THR 215 Ca 0.06 -0.32 0.00 0.00 -2.27 0.00 0.00 64.05 61.51 3h5d n THR 215 Cb 0.25 0.90 0.00 0.00 -2.10 0.00 0.00 70.33 69.38 3h5d n THR 215 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3h5d n ASN 216 N -0.84 0.56 0.00 3.42 3.02 0.87 -4.89 115.26 117.41 3h5d n ASN 216 Ca 0.00 -1.25 0.00 0.00 -0.03 0.00 0.00 54.58 53.30 3h5d n ASN 216 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 3h5d n ASN 216 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3h5d n GLY 217 N -0.12 -0.31 0.08 7.41 0.00 -1.24 -2.11 105.19 108.90 3h5d n GLY 217 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 3h5d n GLY 217 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3h5d h ASP 218 N 0.00 0.00 -0.11 1.61 5.19 -1.90 -2.72 116.42 118.49 3h5d h ASP 218 Ca 0.00 -0.76 -0.09 0.00 -0.62 0.00 0.00 57.03 55.56 3h5d h ASP 218 Cb 0.30 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.80 3h5d h ASP 218 CO 0.00 1.08 -0.21 1.05 -3.12 0.00 0.00 179.24 178.04 3h5d h GLU 219 N -1.00 0.52 0.58 3.56 4.11 -1.82 -1.41 114.58 119.12 3h5d h GLU 219 Ca -0.09 -0.18 -0.02 0.00 0.07 0.00 0.00 59.36 59.13 3h5d h GLU 219 Cb 0.98 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.19 3h5d h GLU 219 CO -0.06 0.70 -0.34 0.52 0.07 0.00 0.00 179.01 179.91 3h5d h MET 220 N 0.47 -0.83 -0.91 1.06 2.86 -1.60 0.49 114.93 116.47 3h5d h MET 220 Ca 0.07 0.06 0.12 0.00 -2.06 0.00 0.00 59.70 57.89 3h5d h MET 220 Cb 0.63 0.19 -0.08 0.00 0.06 0.00 0.00 31.60 32.39 3h5d h MET 220 CO 0.04 -0.56 0.53 1.25 1.06 0.00 0.00 176.91 179.24 3h5d h HIS 221 N -0.86 0.96 -0.68 -0.22 -0.00 -1.41 0.01 115.15 112.95 3h5d h HIS 221 Ca -0.07 0.03 -0.01 0.00 -0.00 0.00 0.00 60.37 60.32 3h5d h HIS 221 Cb 0.69 -0.30 -0.03 0.00 -0.00 0.00 0.00 27.41 27.77 3h5d h HIS 221 CO -0.08 0.36 0.40 1.49 -0.00 0.00 0.00 177.93 180.10 3h5d h GLU 222 N 0.85 0.93 -0.08 5.26 4.81 -0.86 -0.15 114.58 125.34 3h5d h GLU 222 Ca 0.45 -0.08 -0.13 0.00 -0.13 0.00 0.00 59.36 59.47 3h5d h GLU 222 Cb 0.47 -0.19 0.01 0.00 0.63 0.00 0.00 28.75 29.66 3h5d h GLU 222 CO -0.28 0.66 -0.45 1.98 -0.73 0.00 0.00 179.01 180.19 3h5d h MET 223 N 0.94 0.44 -0.62 1.92 4.05 0.85 -2.56 114.93 119.96 3h5d h MET 223 Ca 0.24 -0.37 -0.02 0.00 -0.28 0.00 0.00 59.70 59.28 3h5d h MET 223 Cb -0.02 0.08 -0.03 0.00 -0.80 0.00 0.00 31.60 30.83 3h5d h MET 223 CO -0.04 1.01 0.32 0.74 0.23 0.00 0.00 176.91 179.17 3h5d h PHE 224 N -0.01 0.84 0.35 1.39 -1.00 -1.02 -2.23 116.94 115.27 3h5d h PHE 224 Ca -0.03 -0.02 -0.00 0.00 2.81 0.00 0.00 57.97 60.73 3h5d h PHE 224 Cb 1.11 -0.27 -0.02 0.00 3.61 0.00 0.00 35.95 40.37 3h5d h PHE 224 CO 0.12 0.60 -0.37 1.15 -1.61 0.00 0.00 178.31 178.20 3h5d h THR 225 N 0.86 0.24 -0.86 -1.55 2.02 -0.98 -1.83 112.91 110.82 3h5d h THR 225 Ca 0.22 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.45 3h5d h THR 225 Cb 0.05 0.24 -0.06 0.00 -1.74 0.00 0.00 68.15 66.64 3h5d h THR 225 CO -0.03 0.00 0.54 0.00 0.37 0.00 0.00 175.52 176.39 3h5d h ALA 226 N -0.31 1.17 -0.79 6.16 0.00 -1.31 -1.26 119.26 122.92 3h5d h ALA 226 Ca -0.02 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.88 3h5d h ALA 226 Cb 0.68 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 3h5d h ALA 226 CO -0.08 0.30 0.52 0.82 0.00 0.00 0.00 179.25 180.82 3h5d h ILE 227 N 0.99 1.21 -0.07 0.00 2.04 -1.19 1.24 117.51 121.73 3h5d h ILE 227 Ca 0.37 -0.38 -0.18 0.00 1.00 0.00 0.00 64.86 65.68 3h5d h ILE 227 Cb 0.14 0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.25 3h5d h ILE 227 CO -0.16 0.20 -0.72 0.00 0.00 0.00 0.00 178.15 177.47 3h5d h ALA 228 N 1.29 0.65 -0.33 1.87 0.00 -0.87 -2.45 119.26 119.41 3h5d h ALA 228 Ca 0.29 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3h5d h ALA 228 Cb -0.12 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.60 3h5d h ALA 228 CO -0.06 0.77 0.00 0.39 0.00 0.00 0.00 179.25 180.35 3h5d n GLU 229 N -3.82 2.08 -4.02 0.00 1.02 -0.52 -4.93 120.64 110.45 3h5d n GLU 229 Ca -0.04 -1.33 -0.38 0.00 -0.02 0.00 0.00 57.16 55.39 3h5d n GLU 229 Cb 0.70 -1.42 0.02 0.00 -0.02 0.00 0.00 31.44 30.71 3h5d n GLU 229 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 3h5d n SER 230 N 0.48 -3.31 -3.07 1.62 7.64 -0.16 -4.88 113.62 111.95 3h5d n SER 230 Ca 0.12 -1.06 -0.37 0.00 1.01 0.00 0.00 58.87 58.58 3h5d n SER 230 Cb 0.40 -1.27 0.02 0.00 -1.01 0.00 0.00 64.21 62.35 3h5d n SER 230 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 3h5d n ASP 231 N -1.54 6.69 -0.35 6.43 2.03 0.41 -4.86 116.55 125.36 3h5d n ASP 231 Ca -0.09 -3.76 0.23 0.00 0.52 0.00 0.00 54.79 51.69 3h5d n ASP 231 Cb 0.45 -0.94 0.49 0.00 -0.72 0.00 0.00 41.12 40.40 3h5d n ASP 231 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 3h5d h MET 232 N 3.30 0.38 -0.87 -0.67 2.86 -1.90 0.27 114.93 118.29 3h5d h MET 232 Ca 0.47 -0.02 0.14 0.00 -2.06 0.00 0.00 59.70 58.22 3h5d h MET 232 Cb 0.31 -0.09 -0.09 0.00 0.06 0.00 0.00 31.60 31.80 3h5d h MET 232 CO 1.20 0.25 0.47 0.87 1.06 0.00 0.00 176.91 180.76 3h5d h LYS 233 N 0.39 0.68 0.39 1.72 1.57 -1.94 -1.61 116.57 117.77 3h5d h LYS 233 Ca 0.67 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 59.39 3h5d h LYS 233 Cb 1.61 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 33.77 3h5d h LYS 233 CO -0.43 0.45 -0.19 -0.22 -0.57 0.00 0.00 179.45 178.50 3h5d h LYS 234 N 0.70 -0.50 -0.93 3.15 3.64 -0.89 -3.09 116.57 118.66 3h5d h LYS 234 Ca 0.46 0.03 0.22 0.00 -1.27 0.00 0.00 60.65 60.10 3h5d h LYS 234 Cb 0.59 0.11 -0.18 0.00 -0.41 0.00 0.00 32.23 32.35 3h5d h LYS 234 CO -0.33 -0.24 -0.10 0.00 -2.27 0.00 0.00 179.45 176.51 3h5d n ALA 235 N -2.67 0.36 0.11 5.00 0.00 -0.89 -0.21 120.51 122.21 3h5d n ALA 235 Ca -0.08 1.01 -0.02 0.00 0.00 0.00 0.00 53.44 54.35 3h5d n ALA 235 Cb 0.25 -0.67 0.04 0.00 0.00 0.00 0.00 19.45 19.07 3h5d n ALA 235 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3h5d h ALA 236 N 1.86 0.66 0.07 0.00 0.00 -1.42 -2.23 119.26 118.20 3h5d h ALA 236 Ca 0.51 -0.65 0.02 0.00 0.00 0.00 0.00 54.91 54.79 3h5d h ALA 236 Cb 0.93 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 3h5d h ALA 236 CO -0.92 0.89 -0.23 0.00 0.00 0.00 0.00 179.25 178.99 3h5d h ALA 237 N 1.29 -0.36 -0.23 0.00 0.00 -0.49 -2.61 119.26 116.85 3h5d h ALA 237 Ca -0.01 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3h5d h ALA 237 Cb 1.41 0.39 -0.01 0.00 0.00 0.00 0.00 17.79 19.57 3h5d h ALA 237 CO 0.09 -0.75 0.10 0.82 0.00 0.00 0.00 179.25 179.51 3h5d h ILE 238 N -0.40 1.16 -0.40 0.00 2.04 -1.32 -3.03 117.51 115.56 3h5d h ILE 238 Ca 0.04 -0.49 0.07 0.00 1.00 0.00 0.00 64.86 65.49 3h5d h ILE 238 Cb 0.45 1.05 -0.07 0.00 -0.74 0.00 0.00 36.82 37.51 3h5d h ILE 238 CO -0.16 0.16 -0.01 -0.61 0.00 0.00 0.00 178.15 177.53 3h5d h GLN 239 N 0.23 0.09 -0.07 2.37 5.75 -1.38 0.43 115.11 122.53 3h5d h GLN 239 Ca 0.08 -0.01 0.02 0.00 -0.15 0.00 0.00 58.65 58.59 3h5d h GLN 239 Cb 0.16 -0.02 -0.00 0.00 1.07 0.00 0.00 27.48 28.69 3h5d h GLN 239 CO -0.01 0.06 0.05 0.00 -2.65 0.00 0.00 178.83 176.28 3h5d h ARG 240 N 0.09 0.00 0.00 1.69 3.08 -1.34 -0.03 114.38 117.87 3h5d h ARG 240 Ca 0.20 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.25 3h5d h ARG 240 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.33 3h5d h ARG 240 CO -0.34 0.00 -1.47 1.63 -1.07 0.00 0.00 179.97 178.72 3h5d n LYS 241 N -4.41 0.54 0.20 0.04 5.02 -0.72 -4.00 118.16 114.83 3h5d n LYS 241 Ca -0.01 -0.06 0.10 0.00 -2.02 0.00 0.00 58.31 56.32 3h5d n LYS 241 Cb 0.16 -1.62 0.16 0.00 -0.02 0.00 0.00 35.03 33.70 3h5d n LYS 241 CO 0.00 0.00 0.00 0.35 -0.52 0.00 0.00 177.40 177.23 3h5d h PHE 242 N 0.00 0.00 -0.14 2.13 3.57 0.16 -3.36 116.94 119.30 3h5d h PHE 242 Ca 0.00 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.44 3h5d h PHE 242 Cb 0.92 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.66 3h5d h PHE 242 CO 0.00 0.12 -0.16 0.82 -2.23 0.00 0.00 178.31 176.86 3h5d h ILE 243 N 0.00 1.36 -0.39 1.41 2.04 -1.26 -2.74 117.51 117.93 3h5d h ILE 243 Ca -0.00 -1.35 0.05 0.00 1.00 0.00 0.00 64.86 64.56 3h5d h ILE 243 Cb 1.07 1.93 -0.02 0.00 -0.74 0.00 0.00 36.82 39.06 3h5d h ILE 243 CO 0.02 0.40 0.26 -0.65 0.00 0.00 0.00 178.15 178.17 3h5d h PRO 244 N -0.04 0.29 -0.16 2.37 0.11 -1.79 -1.22 132.00 131.56 3h5d h PRO 244 Ca 0.02 -0.02 -0.12 0.00 0.11 0.00 0.00 66.00 65.99 3h5d h PRO 244 Cb 0.71 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.75 3h5d h PRO 244 CO 0.04 0.19 -0.36 0.87 -0.21 0.00 0.00 178.00 178.53 3h5d h LYS 245 N 0.30 0.52 -0.05 1.05 1.57 -1.71 -1.63 116.57 116.61 3h5d h LYS 245 Ca 0.17 -0.35 0.02 0.00 -1.87 0.00 0.00 60.65 58.62 3h5d h LYS 245 Cb 0.29 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.63 3h5d h LYS 245 CO -0.04 0.96 -0.06 0.28 -0.57 0.00 0.00 179.45 180.03 3h5d h VAL 246 N 0.15 0.83 -0.69 0.50 2.07 -1.24 0.17 116.25 118.04 3h5d h VAL 246 Ca 0.00 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.67 3h5d h VAL 246 Cb 0.96 0.83 -0.12 0.00 -1.52 0.00 0.00 31.29 31.44 3h5d h VAL 246 CO 0.08 0.00 -0.04 0.78 0.02 0.00 0.00 177.57 178.41 3h5d h ASN 247 N -0.08 -0.39 -0.67 0.57 -0.26 -1.14 0.25 115.58 113.85 3h5d h ASN 247 Ca 0.04 0.18 0.03 0.00 -0.56 0.00 0.00 56.30 56.00 3h5d h ASN 247 Cb 0.14 0.34 -0.04 0.00 -1.06 0.00 0.00 38.32 37.70 3h5d h ASN 247 CO -0.10 -0.17 0.41 0.00 -1.06 0.00 0.00 177.43 176.51 3h5d h ALA 248 N 1.65 0.88 -0.01 -0.83 0.00 -0.88 -0.01 119.26 120.07 3h5d h ALA 248 Ca 0.36 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.26 3h5d h ALA 248 Cb 0.61 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 3h5d h ALA 248 CO -0.63 0.17 0.08 -0.07 0.00 0.00 0.00 179.25 178.80 3h5d h LEU 249 N 0.81 0.00 -2.84 0.00 -0.00 0.25 -1.33 115.31 112.20 3h5d h LEU 249 Ca 0.27 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 58.14 3h5d h LEU 249 Cb 0.04 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 40.66 3h5d h LEU 249 CO -0.11 0.00 -0.33 0.49 -0.00 0.00 0.00 178.44 178.49 3h5d n PHE 250 N -3.11 0.00 -0.22 1.13 3.72 -0.73 -4.27 117.46 113.99 3h5d n PHE 250 Ca -0.03 -0.93 0.02 0.00 -0.05 0.00 0.00 57.45 56.46 3h5d n PHE 250 Cb 0.15 -0.16 0.27 0.00 -0.94 0.00 0.00 39.48 38.79 3h5d n PHE 250 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 3h5d h SER 251 N 0.39 0.83 -4.44 4.37 0.02 0.19 -3.44 113.55 111.47 3h5d h SER 251 Ca -0.02 -0.01 -0.28 0.00 -0.84 0.00 0.00 61.79 60.63 3h5d h SER 251 Cb 1.15 -0.20 -0.16 0.00 0.14 0.00 0.00 62.40 63.33 3h5d h SER 251 CO 0.01 0.58 -0.72 -0.47 -1.14 0.00 0.00 176.83 175.09 3h5d s TYR 252 N -5.82 0.99 -0.31 3.45 5.04 -1.26 -5.07 117.35 114.37 3h5d s TYR 252 Ca -0.11 -0.76 -0.38 0.00 -2.44 0.00 0.00 57.07 53.39 3h5d s TYR 252 Cb 0.18 -0.55 -0.14 0.00 0.35 0.00 0.00 41.96 41.81 3h5d s TYR 252 CO 0.78 -0.05 1.98 -2.30 -1.34 0.00 0.00 175.55 174.62 3h5d n PRO 253 N 0.29 1.13 -1.82 4.97 -0.02 -1.26 -4.37 135.00 133.91 3h5d n PRO 253 Ca -0.14 0.37 -0.41 0.00 -2.02 0.00 0.00 63.50 61.30 3h5d n PRO 253 Cb 0.59 -2.26 -0.00 0.00 -0.02 0.00 0.00 33.50 31.81 3h5d n PRO 253 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3h5d s SER 254 N 5.39 6.37 -0.20 2.55 0.15 -1.26 -0.73 113.70 125.97 3h5d s SER 254 Ca 1.04 3.03 0.06 0.00 0.70 0.00 0.00 55.95 60.78 3h5d s SER 254 Cb -0.98 -2.67 0.45 0.00 -1.71 0.00 0.00 66.02 61.12 3h5d s SER 254 CO 0.58 -0.85 1.39 -0.81 1.20 0.00 0.00 173.24 174.74 3h5d n PRO 255 N 0.50 2.64 0.34 5.44 -0.05 -1.26 -4.93 135.00 137.68 3h5d n PRO 255 Ca 0.01 -1.86 -0.19 0.00 -0.05 0.00 0.00 63.50 61.42 3h5d n PRO 255 Cb 0.39 -1.85 -0.10 0.00 -0.05 0.00 0.00 33.50 31.90 3h5d n PRO 255 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 3h5d h ALA 256 N 2.41 -1.20 -0.39 0.55 0.00 -1.17 -0.25 119.26 119.20 3h5d h ALA 256 Ca 0.17 -0.21 0.04 0.00 0.00 0.00 0.00 54.91 54.91 3h5d h ALA 256 Cb 1.72 0.69 -0.07 0.00 0.00 0.00 0.00 17.79 20.13 3h5d h ALA 256 CO 0.46 -1.20 -0.45 -1.35 0.00 0.00 0.00 179.25 176.71 3h5d h PRO 257 N -1.08 -0.26 -1.00 0.00 0.11 -1.77 0.32 132.00 128.32 3h5d h PRO 257 Ca -0.08 0.02 0.13 0.00 0.11 0.00 0.00 66.00 66.18 3h5d h PRO 257 Cb 0.90 0.06 -0.09 0.00 0.11 0.00 0.00 31.00 31.99 3h5d h PRO 257 CO 0.00 -0.17 0.62 -0.24 -0.21 0.00 0.00 178.00 178.00 3h5d h VAL 258 N -0.27 0.89 0.25 3.15 3.04 -1.71 -1.70 116.25 119.90 3h5d h VAL 258 Ca 0.07 -0.33 -0.01 0.00 -1.01 0.00 0.00 66.70 65.42 3h5d h VAL 258 Cb 0.45 -0.15 0.00 0.00 -2.01 0.00 0.00 31.29 29.58 3h5d h VAL 258 CO -0.51 0.17 -0.12 0.11 -1.01 0.00 0.00 177.57 176.21 3h5d h LYS 259 N 0.96 -0.33 -0.85 4.17 1.57 -0.45 -0.93 116.57 120.71 3h5d h LYS 259 Ca 0.51 0.02 0.19 0.00 -1.87 0.00 0.00 60.65 59.50 3h5d h LYS 259 Cb 0.54 0.07 -0.06 0.00 0.08 0.00 0.00 32.23 32.87 3h5d h LYS 259 CO -0.28 -0.08 0.57 0.00 -0.57 0.00 0.00 179.45 179.08 3h5d h ALA 260 N 0.15 2.21 0.34 3.86 0.00 -0.21 0.35 119.26 125.97 3h5d h ALA 260 Ca -0.03 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 3h5d h ALA 260 Cb 0.40 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3h5d h ALA 260 CO 0.06 -0.46 -0.17 0.82 0.00 0.00 0.00 179.25 179.50 3h5d h ILE 261 N 0.38 0.00 -0.96 0.00 2.04 -1.22 -2.87 117.51 114.89 3h5d h ILE 261 Ca 0.43 -0.41 0.30 0.00 1.00 0.00 0.00 64.86 66.18 3h5d h ILE 261 Cb 1.08 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 37.00 3h5d h ILE 261 CO -0.15 0.00 0.32 -0.07 0.00 0.00 0.00 178.15 178.26 3h5d h LEU 262 N -0.87 0.06 -1.12 1.44 3.38 -0.54 0.36 115.31 118.02 3h5d h LEU 262 Ca -0.05 0.23 0.01 0.00 0.09 0.00 0.00 57.88 58.16 3h5d h LEU 262 Cb 0.35 0.30 -0.04 0.00 0.09 0.00 0.00 40.66 41.36 3h5d h LEU 262 CO 0.08 -0.27 0.59 0.78 0.09 0.00 0.00 178.44 179.71 3h5d h ASN 263 N 0.13 1.03 0.11 -0.43 2.35 -0.39 -1.75 115.58 116.63 3h5d h ASN 263 Ca 0.67 -0.03 -0.12 0.00 -0.55 0.00 0.00 56.30 56.27 3h5d h ASN 263 Cb 1.52 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 39.62 3h5d h ASN 263 CO -0.74 0.75 -0.41 0.22 -1.65 0.00 0.00 177.43 175.60 3h5d h TYR 264 N 1.21 0.46 0.00 1.19 3.20 -0.12 -2.80 116.97 120.11 3h5d h TYR 264 Ca 0.33 -0.13 0.00 0.00 3.14 0.00 0.00 58.73 62.07 3h5d h TYR 264 Cb -0.13 -0.10 0.00 0.00 1.54 0.00 0.00 36.73 38.04 3h5d h TYR 264 CO 0.00 0.74 0.00 -1.33 -1.64 0.00 0.00 178.16 175.93 3h5d n MET 265 N -4.02 0.10 0.00 1.82 0.00 -0.32 -4.91 117.12 109.78 3h5d n MET 265 Ca -0.02 0.17 0.00 0.00 0.00 0.00 0.00 57.70 57.86 3h5d n MET 265 Cb 0.50 -1.63 0.00 0.00 0.00 0.00 0.00 33.22 32.09 3h5d n MET 265 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3h5d n GLY 266 N 0.90 1.92 0.00 3.03 0.00 -0.74 -4.98 105.19 105.32 3h5d n GLY 266 Ca 0.05 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.11 3h5d n GLY 266 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3h5d n PHE 267 N -0.16 0.00 -3.56 1.61 3.72 -1.04 -4.86 117.46 113.17 3h5d n PHE 267 Ca 0.00 0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 57.18 3h5d n PHE 267 Cb 0.00 -0.39 0.05 0.00 -0.94 0.00 0.00 39.48 38.20 3h5d n PHE 267 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 3h5d n GLU 268 N -1.39 -3.65 0.25 -1.08 4.07 -1.26 -4.75 120.64 112.84 3h5d n GLU 268 Ca 0.03 0.67 0.11 0.00 -0.06 0.00 0.00 57.16 57.91 3h5d n GLU 268 Cb 0.08 -5.17 0.67 0.00 -0.06 0.00 0.00 31.44 26.96 3h5d n GLU 268 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3h5d h ALA 269 N 0.64 1.29 -0.06 4.31 0.00 -1.85 -3.44 119.26 120.16 3h5d h ALA 269 Ca -0.62 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.16 3h5d h ALA 269 Cb 1.35 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.11 3h5d h ALA 269 CO 0.51 0.18 0.00 0.41 0.00 0.00 0.00 179.25 180.35 3h5d n GLY 270 N -0.62 -1.31 3.92 0.00 0.00 -1.26 -2.66 105.19 103.27 3h5d n GLY 270 Ca -0.02 -1.27 -0.30 0.00 0.00 0.00 0.00 46.02 44.43 3h5d n GLY 270 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3h5d s PRO 271 N 0.00 0.68 0.33 1.61 0.02 -1.26 -4.77 135.00 131.60 3h5d s PRO 271 Ca 0.00 -0.37 0.07 0.00 0.02 0.00 0.00 61.00 60.72 3h5d s PRO 271 Cb 0.00 -1.85 -0.02 0.00 0.02 0.00 0.00 34.50 32.66 3h5d s PRO 271 CO 0.00 -2.39 0.39 0.95 -0.33 0.00 0.00 177.00 175.62 3h5d s THR 272 N -3.85 3.97 0.07 0.99 -4.23 -1.26 -4.39 115.64 106.94 3h5d s THR 272 Ca 0.73 -1.14 -0.08 0.00 -1.18 0.00 0.00 61.69 60.01 3h5d s THR 272 Cb -0.04 -3.36 -0.06 0.00 1.34 0.00 0.00 72.50 70.38 3h5d s THR 272 CO 0.53 -0.18 0.37 -0.13 -0.54 0.00 0.00 174.62 174.67 3h5d s ARG 273 N -4.09 3.70 0.42 3.99 0.52 -1.26 -4.83 118.95 117.41 3h5d s ARG 273 Ca 0.42 0.09 -0.26 0.00 -0.52 0.00 0.00 55.73 55.46 3h5d s ARG 273 Cb -0.08 -2.99 -0.09 0.00 0.52 0.00 0.00 34.95 32.31 3h5d s ARG 273 CO 0.29 0.57 1.40 -0.51 0.02 0.00 0.00 175.30 177.07 3h5d s LEU 274 N -1.98 4.19 0.54 2.53 1.43 -1.26 -1.06 118.68 123.08 3h5d s LEU 274 Ca 0.33 2.87 0.31 0.00 -1.03 0.00 0.00 54.13 56.60 3h5d s LEU 274 Cb -0.14 -3.86 1.68 0.00 0.03 0.00 0.00 46.19 43.90 3h5d s LEU 274 CO 0.18 -1.01 1.93 -0.65 0.23 0.00 0.00 176.35 177.04 3h5d h PRO 275 N 2.59 0.00 -6.54 1.29 0.11 -2.01 -3.48 132.00 123.97 3h5d h PRO 275 Ca -0.50 0.00 -0.52 0.00 0.11 0.00 0.00 66.00 65.09 3h5d h PRO 275 Cb 1.25 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.34 3h5d h PRO 275 CO 0.62 0.00 0.26 -0.51 -0.21 0.00 0.00 178.00 178.16 3h5d s LEU 276 N -5.37 4.55 0.03 2.35 1.43 -0.22 -5.08 118.68 116.37 3h5d s LEU 276 Ca -0.03 1.71 0.05 0.00 -1.03 0.00 0.00 54.13 54.83 3h5d s LEU 276 Cb 0.09 -3.43 -0.03 0.00 0.03 0.00 0.00 46.19 42.85 3h5d s LEU 276 CO 0.28 0.09 -0.12 0.68 0.23 0.00 0.00 176.35 177.50 3h5d s VAL 277 N -0.62 3.21 1.00 -1.59 -7.23 -1.26 -4.32 120.40 109.59 3h5d s VAL 277 Ca 0.40 -1.00 -0.11 0.00 -1.81 0.00 0.00 61.98 59.47 3h5d s VAL 277 Cb -0.23 -2.38 0.18 0.00 0.56 0.00 0.00 36.38 34.51 3h5d s VAL 277 CO 0.28 0.36 1.00 -2.65 -0.31 0.00 0.00 175.10 173.77 3h5d n PRO 278 N 1.52 -1.07 -2.52 4.82 -0.02 -1.26 -4.86 135.00 131.61 3h5d n PRO 278 Ca -0.16 -0.26 -0.41 0.00 -2.02 0.00 0.00 63.50 60.66 3h5d n PRO 278 Cb 0.52 -2.24 -0.04 0.00 -0.02 0.00 0.00 33.50 31.72 3h5d n PRO 278 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3h5d s ALA 279 N -2.53 3.38 0.37 3.55 0.00 -1.26 -4.99 121.76 120.27 3h5d s ALA 279 Ca 0.66 0.82 -0.25 0.00 0.00 0.00 0.00 51.96 53.19 3h5d s ALA 279 Cb -0.23 -3.33 -0.12 0.00 0.00 0.00 0.00 23.12 19.43 3h5d s ALA 279 CO 0.61 -0.16 0.89 -2.30 0.00 0.00 0.00 175.76 174.80 3h5d n PRO 280 N 1.96 1.12 -0.29 0.00 -0.02 -1.26 -4.68 135.00 131.82 3h5d n PRO 280 Ca 0.01 0.40 -0.01 0.00 -2.02 0.00 0.00 63.50 61.88 3h5d n PRO 280 Cb 0.46 -1.82 0.11 0.00 -0.02 0.00 0.00 33.50 32.24 3h5d n PRO 280 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3h5d h GLU 281 N 1.49 0.92 -0.67 -0.52 4.57 -1.99 0.57 114.58 118.95 3h5d h GLU 281 Ca -0.41 -0.06 0.04 0.00 -1.18 0.00 0.00 59.36 57.75 3h5d h GLU 281 Cb 1.36 -0.21 -0.04 0.00 -0.16 0.00 0.00 28.75 29.70 3h5d h GLU 281 CO 0.57 0.61 0.44 1.49 -1.18 0.00 0.00 179.01 180.94 3h5d h GLU 282 N 0.95 0.75 -0.17 1.92 4.81 -2.01 -2.20 114.58 118.63 3h5d h GLU 282 Ca 0.34 -0.05 -0.11 0.00 -0.13 0.00 0.00 59.36 59.41 3h5d h GLU 282 Cb 0.09 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.30 3h5d h GLU 282 CO -0.14 0.50 -0.32 -0.44 -0.73 0.00 0.00 179.01 177.87 3h5d h ASP 283 N 0.77 0.57 -0.97 1.04 5.19 -1.41 -3.20 116.42 118.41 3h5d h ASP 283 Ca 0.27 -0.55 0.15 0.00 -0.62 0.00 0.00 57.03 56.29 3h5d h ASP 283 Cb 0.12 -0.16 -0.09 0.00 0.18 0.00 0.00 39.33 39.38 3h5d h ASP 283 CO -0.08 1.02 0.61 0.58 -3.12 0.00 0.00 179.24 178.25 3h5d h VAL 284 N 0.15 0.81 0.31 -1.35 2.07 -0.37 0.24 116.25 118.11 3h5d h VAL 284 Ca 0.01 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.25 3h5d h VAL 284 Cb 0.92 -0.07 -0.03 0.00 -1.52 0.00 0.00 31.29 30.59 3h5d h VAL 284 CO 0.07 0.15 -0.41 0.50 0.02 0.00 0.00 177.57 177.90 3h5d h LYS 285 N 0.81 -0.74 -0.23 1.57 1.63 -1.45 -0.32 116.57 117.85 3h5d h LYS 285 Ca 0.51 0.05 -0.01 0.00 -0.85 0.00 0.00 60.65 60.36 3h5d h LYS 285 Cb 0.73 0.17 -0.01 0.00 -0.60 0.00 0.00 32.23 32.52 3h5d h LYS 285 CO -0.29 -0.49 0.11 -0.09 -3.45 0.00 0.00 179.45 175.25 3h5d h ARG 286 N -0.77 0.33 -0.25 1.90 2.43 -1.30 -2.02 114.38 114.70 3h5d h ARG 286 Ca -0.02 -0.05 0.04 0.00 -0.81 0.00 0.00 59.98 59.15 3h5d h ARG 286 Cb 0.72 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 30.17 3h5d h ARG 286 CO -0.12 0.33 -0.00 0.82 -1.51 0.00 0.00 179.97 179.48 3h5d h ILE 287 N 0.25 0.82 -0.25 1.20 2.04 -0.45 0.58 117.51 121.71 3h5d h ILE 287 Ca 0.08 -0.02 -0.11 0.00 1.00 0.00 0.00 64.86 65.81 3h5d h ILE 287 Cb 0.10 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 36.91 3h5d h ILE 287 CO -0.01 0.01 -0.30 0.40 0.00 0.00 0.00 178.15 178.25 3h5d h ILE 288 N 0.07 1.28 0.00 -0.67 2.04 -1.03 -1.65 117.51 117.55 3h5d h ILE 288 Ca 0.12 -1.37 -0.12 0.00 1.00 0.00 0.00 64.86 64.49 3h5d h ILE 288 Cb 0.15 1.42 -0.02 0.00 -0.74 0.00 0.00 36.82 37.63 3h5d h ILE 288 CO -0.20 0.43 -0.59 0.50 0.00 0.00 0.00 178.15 178.30 3h5d h LYS 289 N 0.43 0.00 0.14 2.37 1.63 -0.71 -2.99 116.57 117.45 3h5d h LYS 289 Ca 0.06 0.00 -0.23 0.00 -0.85 0.00 0.00 60.65 59.62 3h5d h LYS 289 Cb 0.74 0.00 0.02 0.00 -0.60 0.00 0.00 32.23 32.39 3h5d h LYS 289 CO 0.06 0.59 -1.08 0.28 -3.45 0.00 0.00 179.45 175.84 3h5d h VAL 290 N 0.00 1.33 0.00 2.00 2.07 0.54 -3.42 116.25 118.77 3h5d h VAL 290 Ca -0.01 -2.51 0.00 0.00 0.82 0.00 0.00 66.70 65.00 3h5d h VAL 290 Cb 1.15 3.03 0.00 0.00 -1.52 0.00 0.00 31.29 33.94 3h5d h VAL 290 CO 0.08 0.72 -0.02 0.58 0.02 0.00 0.00 177.57 178.95 3h5d h VAL 291 N -0.30 0.00 -4.20 2.57 2.07 -1.43 -3.42 116.25 111.54 3h5d h VAL 291 Ca -0.21 -0.13 -0.40 0.00 0.82 0.00 0.00 66.70 66.78 3h5d h VAL 291 Cb 1.73 0.00 0.13 0.00 -1.52 0.00 0.00 31.29 31.64 3h5d h VAL 291 CO 0.13 0.00 0.29 1.33 0.02 0.00 0.00 177.57 179.35 3h5d n VAL 292 N -2.42 0.00 -2.52 2.57 0.24 -1.13 -5.00 118.33 110.06 3h5d n VAL 292 Ca -0.00 -1.06 -0.34 0.00 -2.04 0.00 0.00 64.34 60.90 3h5d n VAL 292 Cb 0.01 -1.36 0.00 0.00 -1.47 0.00 0.00 33.84 31.03 3h5d n VAL 292 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 3h5d n ASP 293 N -3.51 6.03 -4.80 -1.34 4.64 -1.26 -4.33 116.55 111.98 3h5d n ASP 293 Ca 0.15 -3.73 -0.33 0.00 -1.38 0.00 0.00 54.79 49.50 3h5d n ASP 293 Cb 0.53 -0.82 -0.07 0.00 -1.04 0.00 0.00 41.12 39.72 3h5d n ASP 293 CO 0.00 0.00 0.00 -0.83 -0.82 0.00 0.00 177.20 175.55 3h5d s GLY 294 N -2.36 2.04 -0.45 0.27 0.00 -1.21 -5.02 107.32 100.60 3h5d s GLY 294 Ca 0.47 -0.84 -0.14 0.00 0.00 0.00 0.00 44.72 44.21 3h5d s GLY 294 CO -0.21 -0.70 0.35 0.99 0.00 0.00 0.00 173.10 173.53 3h5d s ASP 295 N -1.69 6.05 -0.68 1.64 1.01 -1.26 -3.77 116.67 117.96 3h5d s ASP 295 Ca 0.23 -1.26 -0.17 0.00 0.71 0.00 0.00 52.55 52.07 3h5d s ASP 295 Cb -0.12 -2.15 0.15 0.00 1.01 0.00 0.00 42.92 41.81 3h5d s ASP 295 CO 0.14 -0.58 0.71 -0.47 0.21 0.00 0.00 175.17 175.18 3h5d s TYR 296 N 1.62 3.31 -1.26 4.23 5.04 -1.26 -4.98 117.35 124.04 3h5d s TYR 296 Ca 0.04 -1.40 -0.17 0.00 -2.44 0.00 0.00 57.07 53.10 3h5d s TYR 296 Cb -0.23 -3.93 0.11 0.00 0.35 0.00 0.00 41.96 38.26 3h5d s TYR 296 CO 0.07 -1.15 1.63 -1.21 -1.34 0.00 0.00 175.55 173.54 3h5d s GLU 297 N 1.65 4.02 0.00 4.97 8.01 -1.26 -4.83 118.70 131.26 3h5d s GLU 297 Ca 0.13 -2.20 0.00 0.00 0.01 0.00 0.00 54.97 52.91 3h5d s GLU 297 Cb -0.19 -5.37 0.00 0.00 -4.31 0.00 0.00 34.13 24.26 3h5d s GLU 297 CO -0.01 -2.08 0.29 0.00 0.01 0.00 0.00 175.26 173.47