#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g5l h ALA 27 N 0.00 0.38 -0.07 3.14 0.00 -2.05 -1.00 119.26 119.65 3g5l h ALA 27 Ca 0.00 -0.30 -0.19 0.00 0.00 0.00 0.00 54.91 54.43 3g5l h ALA 27 Cb 0.00 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 3g5l h ALA 27 CO 0.00 0.22 -0.75 0.00 0.00 0.00 0.00 179.25 178.72 3g5l h ALA 28 N 0.75 0.57 -0.11 0.00 0.00 -2.06 -2.97 119.26 115.44 3g5l h ALA 28 Ca 0.06 -0.62 -0.06 0.00 0.00 0.00 0.00 54.91 54.30 3g5l h ALA 28 Cb 0.59 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 3g5l h ALA 28 CO 0.03 0.77 -0.19 0.78 0.00 0.00 0.00 179.25 180.64 3g5l h GLY 29 N 1.28 0.19 0.98 0.00 0.00 -1.99 -2.44 103.07 101.09 3g5l h GLY 29 Ca -0.03 -0.13 -0.06 0.00 0.00 0.00 0.00 47.33 47.11 3g5l h GLY 29 CO 0.13 0.12 0.07 -2.09 0.00 0.00 0.00 176.54 174.77 3g5l h GLU 30 N 0.17 0.79 -0.32 4.80 4.22 -1.08 -3.23 114.58 119.94 3g5l h GLU 30 Ca 0.03 -0.21 -0.05 0.00 0.08 0.00 0.00 59.36 59.20 3g5l h GLU 30 Cb 0.44 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 3g5l h GLU 30 CO 0.03 0.80 -0.01 2.35 -2.18 0.00 0.00 179.01 180.00 3g5l h TRP 31 N 0.66 0.62 -1.01 0.92 2.91 -1.34 -1.59 115.95 117.13 3g5l h TRP 31 Ca 0.14 -0.11 0.11 0.00 1.13 0.00 0.00 58.89 60.16 3g5l h TRP 31 Cb 0.40 -0.16 -0.08 0.00 -0.51 0.00 0.00 29.16 28.80 3g5l h TRP 31 CO 0.03 0.70 0.64 0.45 -1.03 0.00 0.00 178.44 179.23 3g5l h HIS 32 N 0.36 1.16 0.20 2.65 -0.00 -1.48 0.23 115.15 118.27 3g5l h HIS 32 Ca 0.09 0.03 -0.33 0.00 -0.00 0.00 0.00 60.37 60.16 3g5l h HIS 32 Cb 0.46 -0.37 0.02 0.00 -0.00 0.00 0.00 27.41 27.52 3g5l h HIS 32 CO 0.04 0.49 -1.54 0.93 -0.00 0.00 0.00 177.93 177.85 3g5l h GLU 33 N 1.04 0.43 -0.51 2.45 4.39 -1.57 -3.33 114.58 117.47 3g5l h GLU 33 Ca 0.48 -0.73 -0.08 0.00 0.34 0.00 0.00 59.36 59.37 3g5l h GLU 33 Cb 0.41 0.27 -0.02 0.00 -0.10 0.00 0.00 28.75 29.31 3g5l h GLU 33 CO -0.24 1.34 -0.01 1.25 -1.16 0.00 0.00 179.01 180.18 3g5l h LEU 34 N 0.12 0.84 -0.89 1.33 5.85 -0.87 -2.93 115.31 118.76 3g5l h LEU 34 Ca -0.27 -0.22 0.15 0.00 0.84 0.00 0.00 57.88 58.38 3g5l h LEU 34 Cb 2.11 -0.23 -0.09 0.00 0.37 0.00 0.00 40.66 42.82 3g5l h LEU 34 CO 0.22 0.91 0.49 0.50 -0.34 0.00 0.00 178.44 180.23 3g5l h LYS 35 N 0.81 0.68 0.00 1.25 3.64 -0.69 -1.31 116.57 120.95 3g5l h LYS 35 Ca 0.15 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.47 3g5l h LYS 35 Cb 0.49 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 32.16 3g5l h LYS 35 CO 0.02 0.45 -0.10 0.87 -2.27 0.00 0.00 179.45 178.43 3g5l h LYS 36 N 0.70 0.00 0.00 1.90 1.57 -1.62 -2.66 116.57 116.46 3g5l h LYS 36 Ca 0.48 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 59.08 3g5l h LYS 36 Cb 0.65 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.93 3g5l h LYS 36 CO -0.34 0.10 -1.15 0.52 -0.57 0.00 0.00 179.45 178.01 3g5l h MET 37 N 0.00 0.00 -6.69 3.15 2.86 -1.29 -3.48 114.93 109.49 3g5l h MET 37 Ca -0.00 0.00 -0.55 0.00 -2.06 0.00 0.00 59.70 57.09 3g5l h MET 37 Cb 0.30 0.00 0.08 0.00 0.06 0.00 0.00 31.60 32.04 3g5l h MET 37 CO 0.01 0.53 0.82 1.28 1.06 0.00 0.00 176.91 180.61 3g5l n LEU 38 N -3.10 3.84 -4.95 1.22 4.77 -1.01 -5.02 117.00 112.76 3g5l n LEU 38 Ca -0.06 1.13 -0.28 0.00 -0.03 0.00 0.00 56.01 56.76 3g5l n LEU 38 Cb 0.87 -1.53 0.17 0.00 -2.33 0.00 0.00 43.42 40.60 3g5l n LEU 38 CO 0.44 -0.06 0.80 -2.16 -1.33 0.00 0.00 177.39 175.07 3g5l s PRO 39 N -0.12 0.91 -0.04 3.23 0.04 -1.26 -4.99 135.00 132.76 3g5l s PRO 39 Ca 0.68 -0.56 -0.30 0.00 0.04 0.00 0.00 61.00 60.86 3g5l s PRO 39 Cb -0.56 -1.96 -0.07 0.00 0.04 0.00 0.00 34.50 31.95 3g5l s PRO 39 CO 0.46 -2.18 1.93 0.34 0.04 0.00 0.00 177.00 177.59 3g5l s ASP 40 N -4.85 6.31 0.00 6.66 2.15 -1.26 -4.89 116.67 120.78 3g5l s ASP 40 Ca 0.72 2.37 0.30 0.00 0.43 0.00 0.00 52.55 56.37 3g5l s ASP 40 Cb -0.04 -2.53 1.41 0.00 -0.30 0.00 0.00 42.92 41.46 3g5l s ASP 40 CO 0.51 -1.21 1.95 0.49 -0.17 0.00 0.00 175.17 176.74 3g5l n PHE 41 N 8.28 0.00 -1.71 -5.34 3.72 -1.26 -4.86 117.46 116.29 3g5l n PHE 41 Ca 0.21 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 57.18 3g5l n PHE 41 Cb 0.42 -0.08 -0.03 0.00 -0.94 0.00 0.00 39.48 38.86 3g5l n PHE 41 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 176.76 175.91 3g5l s ASN 42 N -2.20 5.93 -1.44 4.37 0.01 -1.17 -2.05 114.94 118.39 3g5l s ASN 42 Ca 0.37 2.10 -0.04 0.00 -0.71 0.00 0.00 52.86 54.58 3g5l s ASN 42 Cb 0.21 -2.52 0.03 0.00 0.41 0.00 0.00 41.25 39.38 3g5l s ASN 42 CO 0.41 -1.55 0.62 0.00 -1.51 0.00 0.00 177.10 175.06 3g5l n GLN 43 N 8.18 -4.01 -4.49 -0.60 6.02 0.38 -4.91 117.38 117.96 3g5l n GLN 43 Ca 0.25 0.48 -0.34 0.00 -0.01 0.00 0.00 57.00 57.38 3g5l n GLN 43 Cb 0.44 -4.90 -0.11 0.00 1.02 0.00 0.00 30.24 26.69 3g5l n GLN 43 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 3g5l s LYS 44 N -6.47 2.97 -0.26 -1.09 3.01 -0.87 -4.73 119.74 112.30 3g5l s LYS 44 Ca 0.19 -0.48 -0.17 0.00 -1.01 0.00 0.00 55.97 54.50 3g5l s LYS 44 Cb -0.10 -2.72 -0.03 0.00 -1.01 0.00 0.00 37.83 33.97 3g5l s LYS 44 CO 0.87 0.63 0.46 0.99 0.51 0.00 0.00 175.35 178.80 3g5l s THR 45 N -0.69 5.11 0.01 2.17 2.01 -1.26 -2.71 115.64 120.28 3g5l s THR 45 Ca 0.11 0.76 0.03 0.00 0.31 0.00 0.00 61.69 62.90 3g5l s THR 45 Cb -0.12 -3.78 -0.03 0.00 0.01 0.00 0.00 72.50 68.58 3g5l s THR 45 CO 0.02 0.12 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.32 3g5l s VAL 46 N 2.20 3.71 -0.10 3.82 1.01 -0.23 0.56 120.40 131.37 3g5l s VAL 46 Ca 0.19 -0.77 0.02 0.00 0.00 0.00 0.00 61.98 61.41 3g5l s VAL 46 Cb -0.16 -2.63 0.01 0.00 0.00 0.00 0.00 36.38 33.61 3g5l s VAL 46 CO 0.09 0.38 -0.15 -0.22 0.00 0.00 0.00 175.10 175.20 3g5l s LEU 47 N -1.48 1.70 -0.19 3.92 2.96 0.11 -1.41 118.68 124.29 3g5l s LEU 47 Ca 0.18 -0.41 -0.03 0.00 -0.22 0.00 0.00 54.13 53.66 3g5l s LEU 47 Cb -0.11 -1.05 -0.01 0.00 0.50 0.00 0.00 46.19 45.52 3g5l s LEU 47 CO 0.08 0.02 -0.08 -0.62 -1.32 0.00 0.00 176.35 174.44 3g5l s ASP 48 N 0.93 4.15 -0.29 3.68 2.15 -0.32 -0.19 116.67 126.79 3g5l s ASP 48 Ca -0.08 -0.39 -0.09 0.00 0.43 0.00 0.00 52.55 52.42 3g5l s ASP 48 Cb -0.15 -1.69 -0.02 0.00 -0.30 0.00 0.00 42.92 40.76 3g5l s ASP 48 CO -0.00 0.03 0.14 -0.76 -0.17 0.00 0.00 175.17 174.41 3g5l s LEU 49 N 1.14 3.93 -0.26 -1.34 1.43 0.55 -1.69 118.68 122.44 3g5l s LEU 49 Ca 0.01 -0.38 -0.01 0.00 -1.03 0.00 0.00 54.13 52.72 3g5l s LEU 49 Cb -0.14 -2.00 -0.01 0.00 0.03 0.00 0.00 46.19 44.07 3g5l s LEU 49 CO -0.02 -0.14 0.22 0.61 0.23 0.00 0.00 176.35 177.26 3g5l n GLY 50 N 4.98 0.36 0.07 -3.19 0.00 -0.41 -4.04 105.19 102.96 3g5l n GLY 50 Ca -0.14 -0.19 0.11 0.00 0.00 0.00 0.00 46.02 45.80 3g5l n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g5l n GLY 52 N 0.33 3.21 0.72 0.00 0.00 -1.26 -0.35 105.19 107.84 3g5l n GLY 52 Ca 0.04 0.27 0.10 0.00 0.00 0.00 0.00 46.02 46.42 3g5l n GLY 52 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3g5l n PHE 53 N 9.39 0.33 -0.56 1.61 3.01 -1.26 -4.25 117.46 125.72 3g5l n PHE 53 Ca 0.00 -0.16 0.00 0.00 1.01 0.00 0.00 57.45 58.30 3g5l n PHE 53 Cb 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.47 3g5l n PHE 53 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3g5l n GLY 54 N 1.22 0.66 0.26 1.37 0.00 0.53 -4.31 105.19 104.91 3g5l n GLY 54 Ca 0.16 -0.52 0.02 0.00 0.00 0.00 0.00 46.02 45.68 3g5l n GLY 54 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 3g5l h TRP 55 N 0.00 0.55 -0.15 1.61 2.91 -1.93 -1.52 115.95 117.42 3g5l h TRP 55 Ca 0.00 0.03 -0.15 0.00 1.13 0.00 0.00 58.89 59.90 3g5l h TRP 55 Cb 0.00 -0.14 -0.01 0.00 -0.51 0.00 0.00 29.16 28.50 3g5l h TRP 55 CO 0.00 0.15 -0.53 0.45 -1.03 0.00 0.00 178.44 177.48 3g5l h HIS 56 N 0.52 0.53 -0.59 2.65 -0.00 -1.94 -1.84 115.15 114.48 3g5l h HIS 56 Ca 0.36 -0.18 -0.08 0.00 -0.00 0.00 0.00 60.37 60.47 3g5l h HIS 56 Cb 0.45 -0.10 -0.02 0.00 -0.00 0.00 0.00 27.41 27.74 3g5l h HIS 56 CO -0.14 0.87 0.05 0.00 -0.00 0.00 0.00 177.93 178.71 3g5l h ILE 58 N 0.90 1.28 -0.08 0.00 2.04 -1.25 -2.48 117.51 117.92 3g5l h ILE 58 Ca 0.17 -1.23 0.01 0.00 1.00 0.00 0.00 64.86 64.82 3g5l h ILE 58 Cb 0.48 1.28 -0.01 0.00 -0.74 0.00 0.00 36.82 37.83 3g5l h ILE 58 CO 0.02 0.41 -0.00 0.22 0.00 0.00 0.00 178.15 178.79 3g5l h TYR 59 N 0.55 -0.01 -0.33 1.37 3.20 -1.16 -2.27 116.97 118.32 3g5l h TYR 59 Ca 0.09 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.95 3g5l h TYR 59 Cb 0.66 0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.93 3g5l h TYR 59 CO 0.05 -0.02 0.16 0.00 -1.64 0.00 0.00 178.16 176.71 3g5l h ALA 60 N 1.07 0.43 -0.60 1.82 0.00 -1.13 -2.33 119.26 118.52 3g5l h ALA 60 Ca 0.04 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 54.88 3g5l h ALA 60 Cb 0.05 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 3g5l h ALA 60 CO -0.07 0.00 0.36 0.00 0.00 0.00 0.00 179.25 179.54 3g5l h ALA 61 N 1.01 0.79 0.00 0.00 0.00 -1.34 -2.03 119.26 117.68 3g5l h ALA 61 Ca 0.11 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3g5l h ALA 61 Cb 0.13 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3g5l h ALA 61 CO -0.01 0.08 0.00 -0.85 0.00 0.00 0.00 179.25 178.46 3g5l n GLU 62 N -4.76 0.21 -0.62 0.00 0.28 -0.86 -2.70 120.64 112.20 3g5l n GLU 62 Ca 0.06 0.23 0.07 0.00 -0.16 0.00 0.00 57.16 57.36 3g5l n GLU 62 Cb 0.10 -1.77 0.32 0.00 1.43 0.00 0.00 31.44 31.52 3g5l n GLU 62 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 3g5l n HIS 63 N -2.15 1.47 -0.04 -1.84 8.25 -0.81 -4.93 115.22 115.17 3g5l n HIS 63 Ca 0.05 -0.55 0.00 0.00 -0.26 0.00 0.00 57.72 56.96 3g5l n HIS 63 Cb 0.38 -0.31 0.00 0.00 1.12 0.00 0.00 29.99 31.18 3g5l n HIS 63 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3g5l n GLY 64 N 0.84 1.08 3.76 -1.41 0.00 -1.10 -3.05 105.19 105.30 3g5l n GLY 64 Ca 0.23 -0.04 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 3g5l n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g5l s ALA 65 N -2.00 3.41 -0.20 4.61 0.00 -0.94 0.14 121.76 126.79 3g5l s ALA 65 Ca 0.00 0.92 0.18 0.00 0.00 0.00 0.00 51.96 53.06 3g5l s ALA 65 Cb 0.00 -3.35 0.03 0.00 0.00 0.00 0.00 23.12 19.81 3g5l s ALA 65 CO 0.00 -0.22 1.23 1.57 0.00 0.00 0.00 175.76 178.34 3g5l h LYS 66 N 4.05 0.00 -1.94 0.00 2.10 -1.76 -3.45 116.57 115.58 3g5l h LYS 66 Ca -0.46 0.00 0.04 0.00 -2.00 0.00 0.00 60.65 58.23 3g5l h LYS 66 Cb 1.21 0.00 -0.21 0.00 -0.90 0.00 0.00 32.23 32.33 3g5l h LYS 66 CO 0.68 0.30 0.04 0.21 -2.00 0.00 0.00 179.45 178.68 3g5l s LYS 67 N -3.04 0.65 -0.04 0.07 2.47 -1.25 -4.86 119.74 113.75 3g5l s LYS 67 Ca 0.02 1.20 0.02 0.00 -1.56 0.00 0.00 55.97 55.65 3g5l s LYS 67 Cb 0.08 0.24 0.01 0.00 -1.46 0.00 0.00 37.83 36.70 3g5l s LYS 67 CO 0.76 -0.15 -0.08 0.08 0.16 0.00 0.00 175.35 176.12 3g5l s VAL 68 N 1.80 0.73 -0.15 4.02 1.01 -0.86 -1.07 120.40 125.88 3g5l s VAL 68 Ca -0.09 -0.29 0.02 0.00 0.00 0.00 0.00 61.98 61.62 3g5l s VAL 68 Cb -0.06 -0.68 0.01 0.00 0.00 0.00 0.00 36.38 35.65 3g5l s VAL 68 CO -0.19 0.25 -0.21 -0.22 0.00 0.00 0.00 175.10 174.73 3g5l s LEU 69 N 0.50 2.17 -0.10 3.92 2.96 -0.50 -0.64 118.68 127.00 3g5l s LEU 69 Ca -0.08 -0.59 0.01 0.00 -0.22 0.00 0.00 54.13 53.25 3g5l s LEU 69 Cb -0.12 -1.47 -0.02 0.00 0.50 0.00 0.00 46.19 45.08 3g5l s LEU 69 CO 0.01 0.07 -0.12 -0.83 -1.32 0.00 0.00 176.35 174.16 3g5l s GLY 70 N 0.89 1.57 0.07 7.98 0.00 -0.70 -1.17 107.32 115.97 3g5l s GLY 70 Ca -0.05 -0.91 0.08 0.00 0.00 0.00 0.00 44.72 43.85 3g5l s GLY 70 CO -0.03 -0.43 -0.23 -0.26 0.00 0.00 0.00 173.10 172.15 3g5l s ILE 71 N -0.15 1.85 -0.00 0.90 -4.36 -0.68 -2.18 121.20 116.57 3g5l s ILE 71 Ca -0.00 -1.42 -0.20 0.00 -0.26 0.00 0.00 60.65 58.76 3g5l s ILE 71 Cb -0.13 -1.63 0.04 0.00 1.25 0.00 0.00 42.46 41.99 3g5l s ILE 71 CO 0.03 0.13 0.45 -0.62 0.24 0.00 0.00 174.94 175.17 3g5l s ASP 72 N -1.54 -0.36 0.05 4.36 2.15 -1.20 -0.91 116.67 119.22 3g5l s ASP 72 Ca 0.09 0.23 -0.18 0.00 0.43 0.00 0.00 52.55 53.12 3g5l s ASP 72 Cb -0.10 0.41 -0.17 0.00 -0.30 0.00 0.00 42.92 42.77 3g5l s ASP 72 CO 0.03 -0.57 1.26 0.25 -0.17 0.00 0.00 175.17 175.97 3g5l h LEU 73 N 3.33 0.59 -9.42 -1.34 5.85 -1.89 -1.14 115.31 111.28 3g5l h LEU 73 Ca -0.29 -0.61 -0.54 0.00 0.84 0.00 0.00 57.88 57.28 3g5l h LEU 73 Cb 1.18 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 42.02 3g5l h LEU 73 CO 0.41 1.09 0.51 -0.55 -0.34 0.00 0.00 178.44 179.56 3g5l s SER 74 N -6.57 7.19 0.10 1.25 0.15 -1.26 -4.70 113.70 109.86 3g5l s SER 74 Ca -0.13 1.82 -0.13 0.00 0.70 0.00 0.00 55.95 58.21 3g5l s SER 74 Cb 0.06 -2.57 -0.16 0.00 -1.71 0.00 0.00 66.02 61.63 3g5l s SER 74 CO 0.81 -0.41 1.29 -0.08 1.20 0.00 0.00 173.24 176.06 3g5l h GLU 75 N 6.92 0.80 -0.96 5.44 4.81 -1.98 -2.88 114.58 126.72 3g5l h GLU 75 Ca -0.40 -0.67 0.00 0.00 -0.13 0.00 0.00 59.36 58.17 3g5l h GLU 75 Cb 1.20 0.14 -0.05 0.00 0.63 0.00 0.00 28.75 30.68 3g5l h GLU 75 CO 0.80 1.27 0.62 -0.09 -0.73 0.00 0.00 179.01 180.88 3g5l h ARG 76 N 0.53 1.28 0.00 1.92 2.43 -2.00 -0.14 114.38 118.40 3g5l h ARG 76 Ca -0.06 -0.09 -0.18 0.00 -0.81 0.00 0.00 59.98 58.84 3g5l h ARG 76 Cb 1.44 -0.28 -0.02 0.00 -0.42 0.00 0.00 29.97 30.69 3g5l h ARG 76 CO 0.17 0.86 -0.83 0.52 -1.51 0.00 0.00 179.97 179.18 3g5l h MET 77 N 1.31 0.09 0.00 0.20 2.86 -1.89 -3.16 114.93 114.34 3g5l h MET 77 Ca 0.35 -0.10 -0.03 0.00 -2.06 0.00 0.00 59.70 57.86 3g5l h MET 77 Cb -0.12 0.03 -0.00 0.00 0.06 0.00 0.00 31.60 31.57 3g5l h MET 77 CO -0.07 0.87 -0.14 -0.07 1.06 0.00 0.00 176.91 178.56 3g5l h LEU 78 N 0.05 0.00 0.11 1.22 3.38 -1.26 -1.64 115.31 117.17 3g5l h LEU 78 Ca -0.02 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 3g5l h LEU 78 Cb 1.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.20 3g5l h LEU 78 CO 0.12 0.14 -0.05 0.74 0.09 0.00 0.00 178.44 179.48 3g5l h THR 79 N 0.00 1.05 -0.25 0.22 2.02 -1.05 -2.50 112.91 112.39 3g5l h THR 79 Ca -0.00 -0.60 -0.04 0.00 0.77 0.00 0.00 66.41 66.54 3g5l h THR 79 Cb 1.06 1.43 -0.01 0.00 -1.74 0.00 0.00 68.15 68.88 3g5l h THR 79 CO 0.02 0.14 -0.04 -0.08 0.37 0.00 0.00 175.52 175.93 3g5l h GLU 80 N -0.42 0.39 0.12 6.66 4.57 -1.56 -2.52 114.58 121.83 3g5l h GLU 80 Ca -0.01 -0.08 -0.01 0.00 -1.18 0.00 0.00 59.36 58.08 3g5l h GLU 80 Cb 0.34 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 28.88 3g5l h GLU 80 CO 0.02 0.45 -0.06 0.00 -1.18 0.00 0.00 179.01 178.24 3g5l h ALA 81 N 1.60 -0.16 0.00 2.92 0.00 -1.25 -2.32 119.26 120.05 3g5l h ALA 81 Ca 0.08 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 3g5l h ALA 81 Cb 0.31 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3g5l h ALA 81 CO 0.01 -0.50 -0.29 0.87 0.00 0.00 0.00 179.25 179.33 3g5l h LYS 82 N -0.34 0.00 -0.62 0.00 1.57 -1.44 -2.98 116.57 112.77 3g5l h LYS 82 Ca -0.02 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.72 3g5l h LYS 82 Cb 0.27 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.56 3g5l h LYS 82 CO 0.03 0.29 0.24 -0.09 -0.57 0.00 0.00 179.45 179.35 3g5l h ARG 83 N 0.00 0.94 -0.77 3.15 2.43 -1.31 -3.14 114.38 115.68 3g5l h ARG 83 Ca -0.00 -0.18 -0.27 0.00 -0.81 0.00 0.00 59.98 58.72 3g5l h ARG 83 Cb 0.55 -0.15 -0.16 0.00 -0.42 0.00 0.00 29.97 29.79 3g5l h ARG 83 CO 0.04 0.81 0.33 1.63 -1.51 0.00 0.00 179.97 181.26 3g5l n LYS 84 N -4.42 3.39 -5.01 0.20 5.02 -0.89 -4.92 118.16 111.54 3g5l n LYS 84 Ca 0.04 -3.08 -0.29 0.00 -2.02 0.00 0.00 58.31 52.96 3g5l n LYS 84 Cb 0.18 -2.19 -0.17 0.00 -0.02 0.00 0.00 35.03 32.83 3g5l n LYS 84 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3g5l s THR 85 N -3.06 1.71 -0.16 -0.18 2.01 -1.16 -5.04 115.64 109.76 3g5l s THR 85 Ca 0.55 -0.85 -0.04 0.00 0.31 0.00 0.00 61.69 61.67 3g5l s THR 85 Cb 0.45 -1.48 -0.08 0.00 0.01 0.00 0.00 72.50 71.39 3g5l s THR 85 CO 0.13 0.48 -0.17 0.41 -0.69 0.00 0.00 174.62 174.78 3g5l n THR 86 N 3.34 0.87 -1.78 -0.82 -1.04 -1.26 -4.96 114.28 108.63 3g5l n THR 86 Ca -0.19 -0.28 -0.42 0.00 -2.04 0.00 0.00 64.05 61.13 3g5l n THR 86 Cb 0.52 -1.39 -0.02 0.00 -1.82 0.00 0.00 70.33 67.62 3g5l n THR 86 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 3g5l s SER 87 N -5.98 6.41 0.00 8.00 0.15 -1.26 -4.92 113.70 116.10 3g5l s SER 87 Ca -0.21 2.87 0.31 0.00 0.70 0.00 0.00 55.95 59.62 3g5l s SER 87 Cb 0.07 -2.61 1.76 0.00 -1.71 0.00 0.00 66.02 63.53 3g5l s SER 87 CO 0.31 -0.92 2.15 -2.65 1.20 0.00 0.00 173.24 173.33 3g5l n PRO 88 N 3.19 0.93 0.12 5.44 -0.02 -1.26 -3.46 135.00 139.94 3g5l n PRO 88 Ca 0.12 -0.07 -0.02 0.00 -2.02 0.00 0.00 63.50 61.51 3g5l n PRO 88 Cb 0.37 -1.50 0.13 0.00 -0.02 0.00 0.00 33.50 32.48 3g5l n PRO 88 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3g5l h VAL 89 N 0.16 1.47 -3.83 -1.45 2.07 -1.91 -3.45 116.25 109.32 3g5l h VAL 89 Ca 0.00 -2.25 -0.64 0.00 0.82 0.00 0.00 66.70 64.64 3g5l h VAL 89 Cb 0.10 2.21 -0.17 0.00 -1.52 0.00 0.00 31.29 31.90 3g5l h VAL 89 CO 0.00 0.64 -0.52 0.54 0.02 0.00 0.00 177.57 178.25 3g5l s VAL 90 N -3.53 5.25 0.07 2.57 0.11 -1.22 -2.02 120.40 121.63 3g5l s VAL 90 Ca -0.01 0.15 0.04 0.00 -2.93 0.00 0.00 61.98 59.22 3g5l s VAL 90 Cb 0.12 -3.49 -0.04 0.00 -1.53 0.00 0.00 36.38 31.44 3g5l s VAL 90 CO 0.77 0.27 0.01 0.00 -3.33 0.00 0.00 175.10 172.82 3g5l s TYR 92 N -1.27 2.26 0.01 0.00 2.02 -1.26 -1.72 117.35 117.39 3g5l s TYR 92 Ca 0.25 -0.38 -0.00 0.00 -0.37 0.00 0.00 57.07 56.56 3g5l s TYR 92 Cb -0.12 -1.23 -0.01 0.00 -0.40 0.00 0.00 41.96 40.20 3g5l s TYR 92 CO 0.17 0.33 -0.02 -1.21 -1.57 0.00 0.00 175.55 173.25 3g5l s GLU 93 N -2.04 0.25 -0.51 -0.62 2.02 -0.93 -4.97 118.70 111.90 3g5l s GLU 93 Ca 0.13 -0.46 -0.20 0.00 0.02 0.00 0.00 54.97 54.45 3g5l s GLU 93 Cb -0.10 0.09 0.05 0.00 0.10 0.00 0.00 34.13 34.27 3g5l s GLU 93 CO 0.06 -0.04 0.70 -1.14 0.02 0.00 0.00 175.26 174.85 3g5l s GLN 94 N -1.13 3.19 -0.26 1.61 -0.44 -1.26 -3.24 119.66 118.13 3g5l s GLN 94 Ca -0.12 -0.69 -0.23 0.00 -2.50 0.00 0.00 55.36 51.81 3g5l s GLN 94 Cb -0.08 -4.07 0.07 0.00 -1.64 0.00 0.00 33.01 27.29 3g5l s GLN 94 CO -0.01 -1.25 0.68 0.21 0.50 0.00 0.00 175.29 175.43 3g5l s LYS 95 N 2.94 0.80 0.51 1.67 2.20 -0.43 -4.96 119.74 122.46 3g5l s LYS 95 Ca 0.19 0.96 -0.19 0.00 -0.36 0.00 0.00 55.97 56.57 3g5l s LYS 95 Cb -0.17 0.38 -0.07 0.00 -1.51 0.00 0.00 37.83 36.46 3g5l s LYS 95 CO 0.14 -0.10 1.05 0.00 -0.36 0.00 0.00 175.35 176.09 3g5l s ALA 96 N 0.41 2.82 0.23 3.13 0.00 -1.26 -3.21 121.76 123.87 3g5l s ALA 96 Ca -0.00 0.59 -0.08 0.00 0.00 0.00 0.00 51.96 52.47 3g5l s ALA 96 Cb -0.05 -3.26 0.25 0.00 0.00 0.00 0.00 23.12 20.06 3g5l s ALA 96 CO 0.00 -0.46 1.86 0.82 0.00 0.00 0.00 175.76 177.98 3g5l h ILE 97 N 1.30 1.11 0.00 0.00 2.04 -1.95 -2.09 117.51 117.92 3g5l h ILE 97 Ca -0.49 -0.34 0.00 0.00 1.00 0.00 0.00 64.86 65.03 3g5l h ILE 97 Cb 1.23 0.04 0.00 0.00 -0.74 0.00 0.00 36.82 37.34 3g5l h ILE 97 CO 0.58 0.18 0.00 -1.84 0.00 0.00 0.00 178.15 177.07 3g5l n GLU 98 N -4.60 0.30 -0.21 2.37 0.00 -1.26 -2.93 120.64 114.31 3g5l n GLU 98 Ca 0.10 0.10 0.07 0.00 0.00 0.00 0.00 57.16 57.43 3g5l n GLU 98 Cb 0.10 -1.50 0.16 0.00 0.00 0.00 0.00 31.44 30.20 3g5l n GLU 98 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 3g5l n ASP 99 N -1.24 2.96 -4.71 -1.84 8.00 -0.79 -5.05 116.55 113.87 3g5l n ASP 99 Ca 0.09 -2.58 -0.40 0.00 0.71 0.00 0.00 54.79 52.61 3g5l n ASP 99 Cb 0.13 -0.34 0.03 0.00 -0.02 0.00 0.00 41.12 40.92 3g5l n ASP 99 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 3g5l n ILE 100 N -0.44 3.14 -2.41 0.53 -5.35 -1.15 -4.91 119.36 108.77 3g5l n ILE 100 Ca 0.14 -0.50 -0.40 0.00 -0.27 0.00 0.00 62.75 61.71 3g5l n ILE 100 Cb 0.60 -1.59 -0.04 0.00 -1.74 0.00 0.00 39.64 36.87 3g5l n ILE 100 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3g5l s ALA 101 N -1.26 3.41 -0.47 -1.28 0.00 -1.26 -4.97 121.76 115.93 3g5l s ALA 101 Ca 0.66 0.96 -0.29 0.00 0.00 0.00 0.00 51.96 53.29 3g5l s ALA 101 Cb -0.46 -3.35 0.02 0.00 0.00 0.00 0.00 23.12 19.33 3g5l s ALA 101 CO 0.54 -0.25 1.30 0.42 0.00 0.00 0.00 175.76 177.77 3g5l s ILE 102 N -1.17 4.00 -0.40 0.00 1.09 -1.26 -4.95 121.20 118.51 3g5l s ILE 102 Ca 0.46 0.99 0.01 0.00 -1.10 0.00 0.00 60.65 61.01 3g5l s ILE 102 Cb -0.33 -4.42 0.13 0.00 -1.06 0.00 0.00 42.46 36.78 3g5l s ILE 102 CO 0.43 -0.95 0.20 -1.83 -0.10 0.00 0.00 174.94 172.69 3g5l s GLU 103 N 4.85 1.05 0.23 2.79 -1.05 -1.26 -5.10 118.70 120.21 3g5l s GLU 103 Ca 0.54 -1.70 -0.32 0.00 -0.15 0.00 0.00 54.97 53.35 3g5l s GLU 103 Cb -0.10 -2.10 -0.13 0.00 -0.44 0.00 0.00 34.13 31.36 3g5l s GLU 103 CO 0.31 -1.13 1.58 -2.30 0.95 0.00 0.00 175.26 174.67 3g5l n PRO 104 N 3.90 2.44 -3.75 -4.83 -0.02 -1.26 -3.17 135.00 128.31 3g5l n PRO 104 Ca 0.07 0.87 -0.29 0.00 -2.02 0.00 0.00 63.50 62.14 3g5l n PRO 104 Cb 0.36 -2.64 0.02 0.00 -0.02 0.00 0.00 33.50 31.22 3g5l n PRO 104 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3g5l n ASP 105 N 2.88 -4.78 -0.05 2.55 8.00 -0.73 -4.89 116.55 119.52 3g5l n ASP 105 Ca 0.13 -0.67 -0.01 0.00 0.71 0.00 0.00 54.79 54.95 3g5l n ASP 105 Cb 0.33 -3.84 -0.15 0.00 -0.02 0.00 0.00 41.12 37.45 3g5l n ASP 105 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3g5l n ALA 106 N -4.40 2.07 -2.47 2.24 0.00 -0.74 -4.63 120.51 112.57 3g5l n ALA 106 Ca 0.02 -0.88 -0.30 0.00 0.00 0.00 0.00 53.44 52.28 3g5l n ALA 106 Cb 0.53 -0.37 -0.12 0.00 0.00 0.00 0.00 19.45 19.49 3g5l n ALA 106 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3g5l s TYR 107 N -2.85 2.55 -0.08 0.00 2.02 -0.10 -4.77 117.35 114.12 3g5l s TYR 107 Ca -0.08 -0.26 0.11 0.00 -0.37 0.00 0.00 57.07 56.47 3g5l s TYR 107 Cb 0.09 -1.42 -0.24 0.00 -0.40 0.00 0.00 41.96 39.99 3g5l s TYR 107 CO 0.78 0.31 0.51 0.09 -1.57 0.00 0.00 175.55 175.67 3g5l n ASN 108 N 1.24 0.92 -3.74 2.29 4.13 0.19 -0.16 115.26 120.13 3g5l n ASN 108 Ca -0.16 0.31 -0.13 0.00 1.68 0.00 0.00 54.58 56.29 3g5l n ASN 108 Cb 0.52 -0.00 -0.13 0.00 -1.54 0.00 0.00 39.78 38.63 3g5l n ASN 108 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 3g5l s VAL 109 N -2.57 -0.04 -0.15 2.41 0.11 -1.01 -1.11 120.40 118.04 3g5l s VAL 109 Ca -0.08 0.14 0.00 0.00 -2.93 0.00 0.00 61.98 59.11 3g5l s VAL 109 Cb 0.08 -0.34 -0.00 0.00 -1.53 0.00 0.00 36.38 34.58 3g5l s VAL 109 CO 0.81 0.06 -0.15 -0.69 -3.33 0.00 0.00 175.10 171.80 3g5l s VAL 110 N 1.11 2.70 0.14 2.04 1.01 0.08 -0.71 120.40 126.78 3g5l s VAL 110 Ca -0.08 -0.76 0.08 0.00 0.00 0.00 0.00 61.98 61.21 3g5l s VAL 110 Cb -0.10 -2.14 -0.04 0.00 0.00 0.00 0.00 36.38 34.11 3g5l s VAL 110 CO -0.07 0.52 -0.11 -0.76 0.00 0.00 0.00 175.10 174.68 3g5l s LEU 111 N 0.71 2.97 -0.22 3.92 1.43 0.74 -1.43 118.68 126.79 3g5l s LEU 111 Ca -0.07 -0.49 -0.05 0.00 -1.03 0.00 0.00 54.13 52.49 3g5l s LEU 111 Cb -0.16 -1.72 0.11 0.00 0.03 0.00 0.00 46.19 44.46 3g5l s LEU 111 CO 0.02 0.15 0.41 -0.55 0.23 0.00 0.00 176.35 176.60 3g5l s SER 112 N -2.46 -0.07 -0.37 2.29 0.15 -0.88 -0.33 113.70 112.03 3g5l s SER 112 Ca 0.22 0.64 -0.11 0.00 0.70 0.00 0.00 55.95 57.40 3g5l s SER 112 Cb -0.10 1.27 0.02 0.00 -1.71 0.00 0.00 66.02 65.50 3g5l s SER 112 CO 0.14 -0.26 0.21 -0.55 1.20 0.00 0.00 173.24 173.98 3g5l s SER 113 N 2.59 5.77 -1.24 5.45 0.15 -1.26 -1.11 113.70 124.05 3g5l s SER 113 Ca 0.06 -0.87 -0.05 0.00 0.70 0.00 0.00 55.95 55.78 3g5l s SER 113 Cb -0.14 -2.04 -0.01 0.00 -1.71 0.00 0.00 66.02 62.12 3g5l s SER 113 CO -0.14 -0.35 0.74 0.18 1.20 0.00 0.00 173.24 174.87 3g5l n LEU 114 N 5.02 -3.37 0.00 3.45 4.77 -0.44 -4.90 117.00 121.53 3g5l n LEU 114 Ca -0.12 -0.85 0.00 0.00 -0.03 0.00 0.00 56.01 55.01 3g5l n LEU 114 Cb 0.47 -2.67 0.00 0.00 -2.33 0.00 0.00 43.42 38.88 3g5l n LEU 114 CO 0.37 0.38 -0.09 0.00 -1.33 0.00 0.00 177.39 176.72 3g5l n ALA 115 N -4.12 1.50 0.35 -1.18 0.00 -1.24 -4.89 120.51 110.94 3g5l n ALA 115 Ca -0.23 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.35 3g5l n ALA 115 Cb 0.65 0.06 0.40 0.00 0.00 0.00 0.00 19.45 20.57 3g5l n ALA 115 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3g5l h LEU 116 N 0.00 0.00 0.00 0.00 3.38 -1.91 -2.25 115.31 114.54 3g5l h LEU 116 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3g5l h LEU 116 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 3g5l h LEU 116 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.53 3g5l n HIS 117 N -2.79 0.00 1.16 1.13 1.44 -1.26 -2.11 115.22 112.80 3g5l n HIS 117 Ca 0.03 0.00 0.13 0.00 -2.01 0.00 0.00 57.72 55.87 3g5l n HIS 117 Cb 0.41 -0.25 0.23 0.00 0.12 0.00 0.00 29.99 30.50 3g5l n HIS 117 CO 0.00 0.00 0.00 0.66 -2.81 0.00 0.00 176.34 174.19 3g5l n TYR 118 N -1.25 0.00 -4.30 -1.40 4.01 -0.84 -0.10 117.16 113.28 3g5l n TYR 118 Ca 0.10 0.00 -0.34 0.00 -0.16 0.00 0.00 57.90 57.50 3g5l n TYR 118 Cb 0.15 -0.01 -0.11 0.00 -0.31 0.00 0.00 39.34 39.07 3g5l n TYR 118 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 3g5l s ILE 119 N -2.07 4.19 0.02 -0.72 -1.09 -0.90 -4.82 121.20 115.81 3g5l s ILE 119 Ca 0.30 -0.26 -0.25 0.00 -2.23 0.00 0.00 60.65 58.21 3g5l s ILE 119 Cb 0.20 -2.84 -0.18 0.00 -1.58 0.00 0.00 42.46 38.06 3g5l s ILE 119 CO 0.35 0.50 1.37 0.00 -1.23 0.00 0.00 174.94 175.93 3g5l h ALA 120 N 6.45 -0.17 -2.54 9.38 0.00 -1.92 -3.40 119.26 127.06 3g5l h ALA 120 Ca -0.36 -0.16 -0.73 0.00 0.00 0.00 0.00 54.91 53.66 3g5l h ALA 120 Cb 1.18 0.07 -0.26 0.00 0.00 0.00 0.00 17.79 18.78 3g5l h ALA 120 CO 0.64 -0.44 -0.38 -1.12 0.00 0.00 0.00 179.25 177.94 3g5l s SER 121 N -5.33 5.85 0.33 0.00 0.01 -1.26 -4.90 113.70 108.41 3g5l s SER 121 Ca -0.15 -1.59 0.17 0.00 1.31 0.00 0.00 55.95 55.70 3g5l s SER 121 Cb 0.03 -2.07 0.37 0.00 0.21 0.00 0.00 66.02 64.56 3g5l s SER 121 CO 0.62 -0.64 1.59 0.15 0.41 0.00 0.00 173.24 175.37 3g5l h PHE 122 N 8.57 0.00 -0.67 2.43 3.57 -1.91 -3.11 116.94 125.82 3g5l h PHE 122 Ca -0.25 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.23 3g5l h PHE 122 Cb 1.09 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.80 3g5l h PHE 122 CO 0.64 0.42 0.32 0.22 -2.23 0.00 0.00 178.31 177.68 3g5l h ASP 123 N 0.00 0.88 -0.59 0.41 3.58 -1.96 -2.10 116.42 116.64 3g5l h ASP 123 Ca -0.00 -0.13 -0.10 0.00 0.42 0.00 0.00 57.03 57.21 3g5l h ASP 123 Cb 1.15 -0.22 -0.02 0.00 1.72 0.00 0.00 39.33 41.95 3g5l h ASP 123 CO 0.05 0.76 -0.02 0.44 -2.88 0.00 0.00 179.24 177.59 3g5l h ASP 124 N 0.93 1.05 -0.23 2.28 3.32 -1.97 -1.52 116.42 120.29 3g5l h ASP 124 Ca 0.23 -0.31 0.00 0.00 0.02 0.00 0.00 57.03 56.97 3g5l h ASP 124 Cb 0.12 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.37 3g5l h ASP 124 CO -0.03 1.11 0.15 0.40 -1.72 0.00 0.00 179.24 179.15 3g5l h ILE 125 N 0.97 1.07 -0.89 0.35 1.08 -1.47 -2.57 117.51 116.05 3g5l h ILE 125 Ca 0.17 -0.14 0.03 0.00 -0.39 0.00 0.00 64.86 64.53 3g5l h ILE 125 Cb 0.59 0.75 -0.05 0.00 -3.07 0.00 0.00 36.82 35.04 3g5l h ILE 125 CO 0.03 0.07 0.58 0.00 -0.69 0.00 0.00 178.15 178.14 3g5l h LYS 127 N 1.11 1.06 -0.05 0.00 1.57 -1.13 -1.60 116.57 117.54 3g5l h LYS 127 Ca 0.35 -0.35 -0.18 0.00 -1.87 0.00 0.00 60.65 58.60 3g5l h LYS 127 Cb 0.01 -0.09 0.01 0.00 0.08 0.00 0.00 32.23 32.24 3g5l h LYS 127 CO -0.10 1.05 -0.69 0.87 -0.57 0.00 0.00 179.45 180.01 3g5l h LYS 128 N 0.96 0.54 -0.56 3.15 1.57 -1.11 -2.92 116.57 118.20 3g5l h LYS 128 Ca 0.17 -0.53 -0.07 0.00 -1.87 0.00 0.00 60.65 58.35 3g5l h LYS 128 Cb 0.58 0.13 -0.02 0.00 0.08 0.00 0.00 32.23 33.01 3g5l h LYS 128 CO 0.03 1.15 0.07 0.28 -0.57 0.00 0.00 179.45 180.41 3g5l h VAL 129 N 0.13 1.26 -0.12 0.50 2.07 -0.97 0.11 116.25 119.23 3g5l h VAL 129 Ca -0.07 -1.01 0.05 0.00 0.82 0.00 0.00 66.70 66.48 3g5l h VAL 129 Cb 1.36 0.82 -0.06 0.00 -1.52 0.00 0.00 31.29 31.89 3g5l h VAL 129 CO 0.14 0.37 -0.24 0.22 0.02 0.00 0.00 177.57 178.08 3g5l h TYR 130 N 0.84 -0.63 -0.55 1.57 3.20 -1.38 -0.75 116.97 119.26 3g5l h TYR 130 Ca 0.17 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.06 3g5l h TYR 130 Cb 0.45 0.30 -0.03 0.00 1.54 0.00 0.00 36.73 38.99 3g5l h TYR 130 CO 0.03 -0.32 0.32 0.82 -1.64 0.00 0.00 178.16 177.38 3g5l h ILE 131 N -0.31 1.17 0.00 1.81 2.04 -1.28 -2.85 117.51 118.10 3g5l h ILE 131 Ca 0.10 -0.40 0.00 0.00 1.00 0.00 0.00 64.86 65.56 3g5l h ILE 131 Cb 0.45 0.44 0.00 0.00 -0.74 0.00 0.00 36.82 36.97 3g5l h ILE 131 CO -0.30 0.18 0.00 0.78 0.00 0.00 0.00 178.15 178.81 3g5l h ASN 132 N 0.74 0.00 -3.54 1.72 4.21 -0.56 -1.95 115.58 116.20 3g5l h ASN 132 Ca 0.20 0.00 -0.51 0.00 1.21 0.00 0.00 56.30 57.20 3g5l h ASN 132 Cb 0.00 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.19 3g5l h ASN 132 CO -0.04 0.00 0.01 -0.76 -1.29 0.00 0.00 177.43 175.35 3g5l s LEU 133 N -5.61 3.99 0.78 1.61 1.43 -0.31 -0.93 118.68 119.65 3g5l s LEU 133 Ca 0.03 1.02 -0.09 0.00 -1.03 0.00 0.00 54.13 54.06 3g5l s LEU 133 Cb 0.09 -3.85 0.11 0.00 0.03 0.00 0.00 46.19 42.57 3g5l s LEU 133 CO 0.50 -0.25 1.11 -0.54 0.23 0.00 0.00 176.35 177.39 3g5l s LYS 134 N -3.42 1.69 0.23 1.70 1.02 0.78 -3.92 119.74 117.82 3g5l s LYS 134 Ca 0.49 -0.40 -0.31 0.00 0.02 0.00 0.00 55.97 55.77 3g5l s LYS 134 Cb -0.11 -2.09 -0.14 0.00 -0.52 0.00 0.00 37.83 34.98 3g5l s LYS 134 CO 0.26 -1.61 1.39 0.43 -0.92 0.00 0.00 175.35 174.91 3g5l n SER 135 N -3.16 2.64 -2.18 2.83 7.64 -1.26 -1.95 113.62 118.18 3g5l n SER 135 Ca 0.11 1.14 -0.16 0.00 1.01 0.00 0.00 58.87 60.97 3g5l n SER 135 Cb 0.60 -1.41 -0.02 0.00 -1.01 0.00 0.00 64.21 62.37 3g5l n SER 135 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3g5l n SER 136 N 2.18 -4.58 -4.84 6.43 3.41 -1.14 -4.98 113.62 110.10 3g5l n SER 136 Ca 0.12 0.18 -0.33 0.00 -0.26 0.00 0.00 58.87 58.58 3g5l n SER 136 Cb 0.31 -3.93 -0.06 0.00 -0.26 0.00 0.00 64.21 60.27 3g5l n SER 136 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3g5l s GLY 137 N -2.11 2.34 -0.05 5.00 0.00 -0.82 -4.69 107.32 106.98 3g5l s GLY 137 Ca 0.00 0.12 -0.03 0.00 0.00 0.00 0.00 44.72 44.80 3g5l s GLY 137 CO 0.00 0.34 0.11 -1.35 0.00 0.00 0.00 173.10 172.20 3g5l s SER 138 N -2.27 6.02 -0.31 1.64 1.04 -0.27 -0.16 113.70 119.39 3g5l s SER 138 Ca 0.56 0.30 0.02 0.00 0.48 0.00 0.00 55.95 57.30 3g5l s SER 138 Cb -0.10 -1.84 0.08 0.00 0.10 0.00 0.00 66.02 64.26 3g5l s SER 138 CO 0.17 0.33 -0.01 0.12 0.98 0.00 0.00 173.24 174.82 3g5l s PHE 139 N -1.14 3.46 -0.15 5.02 5.36 0.11 -0.74 117.98 129.91 3g5l s PHE 139 Ca 0.20 -2.48 0.00 0.00 -0.96 0.00 0.00 56.93 53.70 3g5l s PHE 139 Cb -0.12 -2.41 -0.01 0.00 -0.34 0.00 0.00 43.02 40.14 3g5l s PHE 139 CO 0.11 -0.90 -0.15 0.42 -1.46 0.00 0.00 175.22 173.24 3g5l s ILE 140 N 1.07 2.76 0.16 3.12 1.01 -0.52 -1.15 121.20 127.66 3g5l s ILE 140 Ca -0.00 -0.74 -0.10 0.00 0.00 0.00 0.00 60.65 59.81 3g5l s ILE 140 Cb -0.20 -2.17 -0.00 0.00 0.01 0.00 0.00 42.46 40.10 3g5l s ILE 140 CO -0.05 0.51 0.31 0.72 0.00 0.00 0.00 174.94 176.43 3g5l s PHE 141 N 0.71 0.31 -0.00 3.97 -0.12 -0.52 -2.08 117.98 120.25 3g5l s PHE 141 Ca -0.07 -0.67 0.02 0.00 -0.05 0.00 0.00 56.93 56.16 3g5l s PHE 141 Cb -0.15 0.00 -0.01 0.00 -0.63 0.00 0.00 43.02 42.23 3g5l s PHE 141 CO 0.02 -0.73 -0.06 -1.54 -0.05 0.00 0.00 175.22 172.86 3g5l s SER 142 N -2.95 0.68 0.17 1.98 1.04 -0.27 -1.58 113.70 112.77 3g5l s SER 142 Ca 0.15 -0.12 0.01 0.00 0.48 0.00 0.00 55.95 56.47 3g5l s SER 142 Cb 0.03 -0.07 -0.04 0.00 0.10 0.00 0.00 66.02 66.03 3g5l s SER 142 CO -0.01 0.06 0.03 0.68 0.98 0.00 0.00 173.24 174.97 3g5l s VAL 143 N -0.18 0.49 0.25 5.02 -7.23 -0.37 -1.33 120.40 117.04 3g5l s VAL 143 Ca 0.02 -1.96 -0.30 0.00 -1.81 0.00 0.00 61.98 57.93 3g5l s VAL 143 Cb -0.02 -2.14 -0.10 0.00 0.56 0.00 0.00 36.38 34.67 3g5l s VAL 143 CO -0.00 -0.43 1.45 -1.61 -0.31 0.00 0.00 175.10 174.20 3g5l s GLU 144 N -3.97 4.26 0.31 4.82 2.02 -1.26 -0.12 118.70 124.77 3g5l s GLU 144 Ca 0.25 2.31 -0.29 0.00 0.02 0.00 0.00 54.97 57.26 3g5l s GLU 144 Cb 0.07 -3.11 -0.11 0.00 0.10 0.00 0.00 34.13 31.08 3g5l s GLU 144 CO 0.04 -0.43 1.43 -1.58 0.02 0.00 0.00 175.26 174.74 3g5l s HIS 145 N 0.02 2.88 0.43 1.61 5.65 0.49 -4.61 115.29 121.75 3g5l s HIS 145 Ca 0.60 1.16 0.28 0.00 0.25 0.00 0.00 55.06 57.35 3g5l s HIS 145 Cb -0.42 -3.86 1.39 0.00 -1.18 0.00 0.00 32.58 28.51 3g5l s HIS 145 CO 0.43 -2.61 1.63 -1.35 -0.65 0.00 0.00 174.74 172.19 3g5l h PRO 146 N 3.95 0.10 -0.16 2.88 0.11 -1.90 0.31 132.00 137.29 3g5l h PRO 146 Ca -0.48 -0.01 -0.10 0.00 0.11 0.00 0.00 66.00 65.52 3g5l h PRO 146 Cb 1.23 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 3g5l h PRO 146 CO 0.70 0.07 -0.36 0.28 -0.21 0.00 0.00 178.00 178.48 3g5l h VAL 147 N 0.10 1.29 -0.14 3.15 2.07 -1.90 0.20 116.25 121.02 3g5l h VAL 147 Ca 0.81 -1.42 -0.13 0.00 0.82 0.00 0.00 66.70 66.78 3g5l h VAL 147 Cb 2.48 1.56 -0.01 0.00 -1.52 0.00 0.00 31.29 33.80 3g5l h VAL 147 CO -0.44 0.43 -0.48 0.15 0.02 0.00 0.00 177.57 177.26 3g5l h PHE 148 N 0.29 0.44 0.00 1.57 3.57 -1.11 -3.35 116.94 118.34 3g5l h PHE 148 Ca 0.03 -0.14 0.00 0.00 3.53 0.00 0.00 57.97 61.40 3g5l h PHE 148 Cb 0.76 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 39.42 3g5l h PHE 148 CO 0.02 0.77 -1.06 0.25 -2.23 0.00 0.00 178.31 176.06 3g5l n THR 149 N -3.98 0.00 0.51 4.41 -2.24 -0.93 -4.36 114.28 107.70 3g5l n THR 149 Ca -0.02 -0.04 -0.20 0.00 -2.27 0.00 0.00 64.05 61.52 3g5l n THR 149 Cb 0.54 0.91 -0.09 0.00 -2.10 0.00 0.00 70.33 69.58 3g5l n THR 149 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3g5l h ALA 150 N 2.93 -1.32 -0.40 6.98 0.00 -1.10 -3.25 119.26 123.10 3g5l h ALA 150 Ca 0.00 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 3g5l h ALA 150 Cb 0.54 0.50 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 3g5l h ALA 150 CO 0.00 -1.22 0.22 0.22 0.00 0.00 0.00 179.25 178.47 3g5l h ASP 151 N -1.33 0.50 0.00 0.00 3.58 -1.73 -3.41 116.42 114.02 3g5l h ASP 151 Ca -0.13 -0.09 0.00 0.00 0.42 0.00 0.00 57.03 57.23 3g5l h ASP 151 Cb 1.00 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 41.92 3g5l h ASP 151 CO 0.22 0.44 0.00 0.61 -2.88 0.00 0.00 179.24 177.63 3g5l n GLY 152 N -0.99 1.96 0.23 -0.78 0.00 -1.23 -4.88 105.19 99.50 3g5l n GLY 152 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 3g5l n GLY 152 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3g5l h ARG 153 N 0.37 0.00 -6.33 1.61 0.11 -1.90 -3.46 114.38 104.78 3g5l h ARG 153 Ca 0.00 0.00 -0.47 0.00 0.10 0.00 0.00 59.98 59.61 3g5l h ARG 153 Cb 0.00 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.05 3g5l h ARG 153 CO 0.00 0.13 -0.81 1.04 0.10 0.00 0.00 179.97 180.43 3g5l n GLN 154 N -3.21 -4.70 -3.56 0.08 6.02 -1.26 -4.94 117.38 105.81 3g5l n GLN 154 Ca 0.01 0.54 -0.10 0.00 -0.01 0.00 0.00 57.00 57.44 3g5l n GLN 154 Cb 0.45 -5.19 -0.02 0.00 1.02 0.00 0.00 30.24 26.50 3g5l n GLN 154 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 3g5l s ASP 155 N -3.79 -0.46 0.98 1.08 2.15 -1.26 -5.12 116.67 110.25 3g5l s ASP 155 Ca 0.37 -0.20 -0.12 0.00 0.43 0.00 0.00 52.55 53.03 3g5l s ASP 155 Cb -0.19 0.63 0.18 0.00 -0.30 0.00 0.00 42.92 43.24 3g5l s ASP 155 CO 0.85 -1.08 1.08 0.26 -0.17 0.00 0.00 175.17 176.11 3g5l s TRP 156 N -3.81 1.90 -0.14 -5.34 0.52 -1.26 -4.50 118.94 106.31 3g5l s TRP 156 Ca 0.04 1.32 -0.17 0.00 0.02 0.00 0.00 56.10 57.31 3g5l s TRP 156 Cb -0.02 -3.18 -0.04 0.00 -1.15 0.00 0.00 33.47 29.07 3g5l s TRP 156 CO -0.07 -2.93 0.41 -0.47 0.02 0.00 0.00 176.95 173.91 3g5l s TYR 157 N -2.75 3.49 0.14 -1.98 5.04 -0.51 -4.89 117.35 115.89 3g5l s TYR 157 Ca 0.66 0.78 0.09 0.00 -2.44 0.00 0.00 57.07 56.16 3g5l s TYR 157 Cb -0.21 -2.48 -0.04 0.00 0.35 0.00 0.00 41.96 39.58 3g5l s TYR 157 CO 0.59 0.18 -0.22 0.95 -1.34 0.00 0.00 175.55 175.72 3g5l s THR 158 N 0.60 1.96 0.30 4.34 -4.23 -1.26 -0.81 115.64 116.54 3g5l s THR 158 Ca 0.22 -1.76 -0.01 0.00 -1.18 0.00 0.00 61.69 58.96 3g5l s THR 158 Cb -0.14 -1.81 0.06 0.00 1.34 0.00 0.00 72.50 71.95 3g5l s THR 158 CO 0.08 -0.10 0.41 -0.90 -0.54 0.00 0.00 174.62 173.56 3g5l n ASP 159 N 0.72 0.42 -0.05 3.99 5.75 -1.20 -4.96 116.55 121.21 3g5l n ASP 159 Ca -0.16 -1.38 -0.11 0.00 -0.01 0.00 0.00 54.79 53.12 3g5l n ASP 159 Cb 0.55 -0.28 -0.05 0.00 -1.03 0.00 0.00 41.12 40.31 3g5l n ASP 159 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 3g5l h GLU 160 N 0.00 0.29 -6.66 0.11 4.39 -2.01 -3.27 114.58 107.43 3g5l h GLU 160 Ca -0.13 -0.07 -0.52 0.00 0.34 0.00 0.00 59.36 58.97 3g5l h GLU 160 Cb 0.46 -0.04 0.03 0.00 -0.10 0.00 0.00 28.75 29.11 3g5l h GLU 160 CO 0.13 0.44 0.67 -0.08 -1.16 0.00 0.00 179.01 179.00 3g5l s THR 161 N -5.26 3.20 -0.18 1.13 -1.32 -1.26 -4.97 115.64 106.98 3g5l s THR 161 Ca -0.14 0.97 -0.03 0.00 -1.21 0.00 0.00 61.69 61.28 3g5l s THR 161 Cb 0.07 -3.62 -0.04 0.00 -1.51 0.00 0.00 72.50 67.39 3g5l s THR 161 CO 0.71 0.14 2.82 0.61 -2.21 0.00 0.00 174.62 176.69 3g5l n GLY 162 N 2.49 3.47 3.68 6.08 0.00 -1.24 -4.89 105.19 114.79 3g5l n GLY 162 Ca 0.07 -1.16 -0.45 0.00 0.00 0.00 0.00 46.02 44.48 3g5l n GLY 162 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3g5l n ASN 163 N 1.49 3.02 -4.55 1.61 3.02 -1.26 -4.89 115.26 113.71 3g5l n ASN 163 Ca 0.35 1.12 -0.43 0.00 -0.03 0.00 0.00 54.58 55.59 3g5l n ASN 163 Cb 0.68 -1.45 -0.03 0.00 -0.61 0.00 0.00 39.78 38.37 3g5l n ASN 163 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3g5l s LYS 164 N 0.04 3.41 -0.10 3.52 1.02 -1.26 -3.25 119.74 123.11 3g5l s LYS 164 Ca 0.71 -0.05 -0.28 0.00 0.02 0.00 0.00 55.97 56.38 3g5l s LYS 164 Cb -0.64 -4.03 -0.25 0.00 -0.52 0.00 0.00 37.83 32.39 3g5l s LYS 164 CO 0.45 -1.56 0.91 -0.07 -0.92 0.00 0.00 175.35 174.16 3g5l h LEU 165 N 11.34 0.03 -7.57 3.17 4.07 -1.34 -3.49 115.31 121.51 3g5l h LEU 165 Ca -0.26 -0.86 0.27 0.00 0.08 0.00 0.00 57.88 57.11 3g5l h LEU 165 Cb 1.07 -0.01 -0.09 0.00 1.08 0.00 0.00 40.66 42.71 3g5l h LEU 165 CO 1.13 0.89 0.73 -1.38 -1.08 0.00 0.00 178.44 178.73 3g5l s HIS 166 N -2.76 -0.03 -0.20 1.13 -3.43 -1.25 -5.04 115.29 103.71 3g5l s HIS 166 Ca -0.18 -0.17 -0.13 0.00 -0.80 0.00 0.00 55.06 53.78 3g5l s HIS 166 Cb -0.02 0.59 -0.05 0.00 -1.43 0.00 0.00 32.58 31.68 3g5l s HIS 166 CO 0.69 -0.49 0.26 -0.46 -2.00 0.00 0.00 174.74 172.74 3g5l s TRP 167 N -2.48 3.39 0.03 0.38 -0.11 -1.26 -1.43 118.94 117.47 3g5l s TRP 167 Ca 0.18 0.47 -0.26 0.00 1.22 0.00 0.00 56.10 57.71 3g5l s TRP 167 Cb 0.01 -2.35 -0.05 0.00 -1.50 0.00 0.00 33.47 29.59 3g5l s TRP 167 CO -0.00 0.13 0.81 -1.25 -4.62 0.00 0.00 176.95 172.02 3g5l s PRO 168 N 0.83 4.53 -0.10 5.86 0.04 -1.26 -4.95 135.00 139.96 3g5l s PRO 168 Ca 0.14 1.14 0.03 0.00 0.04 0.00 0.00 61.00 62.34 3g5l s PRO 168 Cb -0.13 -3.39 -0.01 0.00 0.04 0.00 0.00 34.50 31.01 3g5l s PRO 168 CO 0.04 0.20 -0.18 0.08 0.04 0.00 0.00 177.00 177.19 3g5l s VAL 169 N 0.19 2.67 0.19 -0.36 1.01 -1.26 -4.56 120.40 118.28 3g5l s VAL 169 Ca 0.41 -0.82 -0.17 0.00 0.00 0.00 0.00 61.98 61.40 3g5l s VAL 169 Cb -0.21 -2.06 0.03 0.00 0.00 0.00 0.00 36.38 34.14 3g5l s VAL 169 CO 0.24 0.55 0.51 -0.62 0.00 0.00 0.00 175.10 175.78 3g5l s ASP 170 N 0.06 -0.26 -0.91 3.32 -1.08 -1.26 -4.92 116.67 111.61 3g5l s ASP 170 Ca -0.07 -0.46 -0.04 0.00 -0.52 0.00 0.00 52.55 51.46 3g5l s ASP 170 Cb -0.15 0.56 0.03 0.00 -1.46 0.00 0.00 42.92 41.90 3g5l s ASP 170 CO 0.05 -1.03 0.16 0.54 0.52 0.00 0.00 175.17 175.42 3g5l n ARG 171 N -0.33 -2.70 -0.32 4.34 1.74 -1.26 -2.53 116.66 115.60 3g5l n ARG 171 Ca -0.11 0.41 0.06 0.00 -0.77 0.00 0.00 57.85 57.45 3g5l n ARG 171 Cb 0.63 -5.02 0.22 0.00 -1.02 0.00 0.00 32.46 27.26 3g5l n ARG 171 CO 0.00 0.00 0.00 -0.92 -1.52 0.00 0.00 177.63 175.19 3g5l h TYR 172 N -0.32 0.96 -0.26 -1.55 3.20 -1.93 -0.73 116.97 116.35 3g5l h TYR 172 Ca -0.28 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.62 3g5l h TYR 172 Cb 1.19 -0.29 0.00 0.00 1.54 0.00 0.00 36.73 39.17 3g5l h TYR 172 CO 0.74 0.35 0.00 1.19 -1.64 0.00 0.00 178.16 178.79 3g5l n PHE 173 N -4.72 0.33 -2.90 -3.82 3.72 -1.26 -4.62 117.46 104.20 3g5l n PHE 173 Ca 0.17 -0.17 -0.43 0.00 -0.05 0.00 0.00 57.45 56.97 3g5l n PHE 173 Cb 0.36 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.86 3g5l n PHE 173 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 3g5l s ASN 174 N -1.40 6.31 -0.69 4.37 2.47 -0.28 -4.98 114.94 120.73 3g5l s ASN 174 Ca 0.31 -1.34 -0.17 0.00 0.42 0.00 0.00 52.86 52.09 3g5l s ASN 174 Cb 0.17 -2.40 0.15 0.00 -1.45 0.00 0.00 41.25 37.72 3g5l s ASN 174 CO 0.25 -1.31 0.71 -1.61 -3.72 0.00 0.00 177.10 171.42 3g5l s GLU 175 N 3.56 3.27 0.19 0.43 2.02 -1.26 -4.86 118.70 122.04 3g5l s GLU 175 Ca 0.24 -1.84 -0.07 0.00 0.02 0.00 0.00 54.97 53.32 3g5l s GLU 175 Cb -0.14 -4.40 0.03 0.00 0.10 0.00 0.00 34.13 29.72 3g5l s GLU 175 CO 0.04 -1.43 0.37 -1.13 0.02 0.00 0.00 175.26 173.13 3g5l n SER 176 N 5.30 -1.09 -4.76 -0.19 3.41 -1.20 -4.95 113.62 110.14 3g5l n SER 176 Ca 0.00 -1.78 -0.38 0.00 -0.26 0.00 0.00 58.87 56.45 3g5l n SER 176 Cb 0.44 1.82 0.02 0.00 -0.26 0.00 0.00 64.21 66.23 3g5l n SER 176 CO 0.00 0.00 0.00 -0.32 -0.16 0.00 0.00 175.04 174.56 3g5l s MET 177 N -2.06 3.42 -0.21 4.33 1.75 -1.26 -1.40 119.30 123.87 3g5l s MET 177 Ca 0.08 2.12 0.01 0.00 -1.25 0.00 0.00 55.69 56.65 3g5l s MET 177 Cb -0.02 -2.37 0.05 0.00 2.84 0.00 0.00 34.83 35.32 3g5l s MET 177 CO 0.06 -0.93 -0.10 1.03 -0.65 0.00 0.00 175.02 174.44 3g5l s ARG 178 N -2.75 1.98 -0.15 4.11 1.81 0.12 -4.82 118.95 119.25 3g5l s ARG 178 Ca 0.67 -0.88 -0.06 0.00 -1.72 0.00 0.00 55.73 53.74 3g5l s ARG 178 Cb -0.37 -2.46 -0.04 0.00 -0.45 0.00 0.00 34.95 31.63 3g5l s ARG 178 CO 0.45 -0.46 0.06 0.99 -0.68 0.00 0.00 175.30 175.66 3g5l s THR 179 N 1.39 4.81 0.07 0.02 2.01 -1.26 -1.28 115.64 121.39 3g5l s THR 179 Ca -0.02 -0.04 0.10 0.00 0.31 0.00 0.00 61.69 62.04 3g5l s THR 179 Cb -0.17 -3.12 -0.03 0.00 0.01 0.00 0.00 72.50 69.19 3g5l s THR 179 CO -0.08 0.52 -0.27 -0.94 -0.69 0.00 0.00 174.62 173.17 3g5l s SER 180 N -0.17 3.20 -0.07 3.53 1.04 -0.62 -4.97 113.70 115.63 3g5l s SER 180 Ca 0.07 -0.63 0.02 0.00 0.48 0.00 0.00 55.95 55.90 3g5l s SER 180 Cb -0.12 -0.27 -0.02 0.00 0.10 0.00 0.00 66.02 65.70 3g5l s SER 180 CO 0.01 0.24 -0.12 -1.00 0.98 0.00 0.00 173.24 173.35 3g5l s HIS 181 N -0.87 2.77 0.18 5.02 3.76 -1.26 -0.60 115.29 124.29 3g5l s HIS 181 Ca 0.12 -0.22 0.00 0.00 -0.15 0.00 0.00 55.06 54.81 3g5l s HIS 181 Cb -0.10 -1.69 -0.04 0.00 1.11 0.00 0.00 32.58 31.85 3g5l s HIS 181 CO 0.03 0.13 0.06 -0.06 -0.85 0.00 0.00 174.74 174.05 3g5l s PHE 182 N -0.51 1.13 0.05 1.40 0.08 -0.30 -5.03 117.98 114.81 3g5l s PHE 182 Ca 0.07 -1.20 -0.30 0.00 0.12 0.00 0.00 56.93 55.62 3g5l s PHE 182 Cb -0.12 -0.62 -0.09 0.00 -0.57 0.00 0.00 43.02 41.62 3g5l s PHE 182 CO 0.02 -0.43 1.90 -1.17 -0.10 0.00 0.00 175.22 175.44 3g5l s LEU 183 N -3.15 4.42 0.00 -0.37 0.20 -1.26 -2.35 118.68 116.17 3g5l s LEU 183 Ca 0.29 2.66 0.00 0.00 0.69 0.00 0.00 54.13 57.77 3g5l s LEU 183 Cb 0.07 -3.54 0.00 0.00 -0.43 0.00 0.00 46.19 42.29 3g5l s LEU 183 CO 0.06 -1.03 0.00 0.61 -0.29 0.00 0.00 176.35 175.71 3g5l n GLY 184 N 4.41 1.56 3.10 7.98 0.00 -1.26 -5.00 105.19 115.99 3g5l n GLY 184 Ca 0.19 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.08 3g5l n GLY 184 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3g5l s GLU 185 N -0.04 0.25 -0.13 1.61 -1.05 -0.99 -5.13 118.70 113.23 3g5l s GLU 185 Ca 0.00 0.40 -0.13 0.00 -0.15 0.00 0.00 54.97 55.09 3g5l s GLU 185 Cb 0.00 0.04 -0.05 0.00 -0.44 0.00 0.00 34.13 33.69 3g5l s GLU 185 CO 0.00 -0.08 0.31 -0.51 0.95 0.00 0.00 175.26 175.92 3g5l s ASP 186 N 0.54 6.51 -0.19 0.83 -0.00 -1.26 -1.15 116.67 121.94 3g5l s ASP 186 Ca -0.03 0.60 -0.07 0.00 -0.00 0.00 0.00 52.55 53.04 3g5l s ASP 186 Cb -0.05 -2.19 -0.04 0.00 -0.00 0.00 0.00 42.92 40.65 3g5l s ASP 186 CO -0.03 0.17 0.06 -0.69 -0.00 0.00 0.00 175.17 174.68 3g5l s VAL 187 N 0.04 4.70 -0.25 -1.27 1.01 0.23 -4.98 120.40 119.89 3g5l s VAL 187 Ca 0.18 -0.06 -0.00 0.00 0.00 0.00 0.00 61.98 62.10 3g5l s VAL 187 Cb -0.14 -3.13 0.04 0.00 0.00 0.00 0.00 36.38 33.15 3g5l s VAL 187 CO 0.06 0.44 -0.08 -1.10 0.00 0.00 0.00 175.10 174.42 3g5l s GLN 188 N 0.54 2.67 0.26 2.72 -0.21 -1.26 -1.60 119.66 122.77 3g5l s GLN 188 Ca 0.03 -1.08 0.10 0.00 0.02 0.00 0.00 55.36 54.43 3g5l s GLN 188 Cb -0.13 -2.93 -0.05 0.00 1.00 0.00 0.00 33.01 30.90 3g5l s GLN 188 CO 0.01 -0.44 -0.10 0.15 -2.12 0.00 0.00 175.29 172.79 3g5l s LYS 189 N 1.26 1.99 -0.20 2.91 1.02 -0.40 -4.69 119.74 121.63 3g5l s LYS 189 Ca -0.02 -1.54 0.00 0.00 0.02 0.00 0.00 55.97 54.44 3g5l s LYS 189 Cb -0.17 -2.00 0.02 0.00 -0.52 0.00 0.00 37.83 35.16 3g5l s LYS 189 CO -0.05 0.36 -0.15 0.71 -0.92 0.00 0.00 175.35 175.30 3g5l s TYR 190 N -2.27 2.88 -0.06 3.18 2.02 0.85 0.16 117.35 124.11 3g5l s TYR 190 Ca 0.29 -1.59 -0.29 0.00 -0.37 0.00 0.00 57.07 55.12 3g5l s TYR 190 Cb -0.06 -1.96 -0.02 0.00 -0.40 0.00 0.00 41.96 39.51 3g5l s TYR 190 CO 0.17 -0.77 0.96 -1.58 -1.57 0.00 0.00 175.55 172.76 3g5l s HIS 191 N 1.31 3.58 0.14 2.71 5.65 -0.49 -4.81 115.29 123.37 3g5l s HIS 191 Ca 0.03 1.60 0.06 0.00 0.25 0.00 0.00 55.06 57.00 3g5l s HIS 191 Cb -0.14 -3.12 -0.04 0.00 -1.18 0.00 0.00 32.58 28.10 3g5l s HIS 191 CO -0.10 -0.10 -0.13 1.03 -0.65 0.00 0.00 174.74 174.79 3g5l s ARG 192 N 1.46 1.07 0.79 2.88 0.52 -1.26 -3.26 118.95 121.15 3g5l s ARG 192 Ca 0.49 -1.33 -0.11 0.00 -0.52 0.00 0.00 55.73 54.26 3g5l s ARG 192 Cb -0.19 -0.87 0.08 0.00 0.52 0.00 0.00 34.95 34.49 3g5l s ARG 192 CO 0.22 0.15 1.14 0.95 0.02 0.00 0.00 175.30 177.78 3g5l s THR 193 N -2.53 2.08 0.23 0.02 -4.23 -1.26 -4.43 115.64 105.52 3g5l s THR 193 Ca 0.12 -0.09 -0.07 0.00 -1.18 0.00 0.00 61.69 60.48 3g5l s THR 193 Cb -0.03 -2.99 0.18 0.00 1.34 0.00 0.00 72.50 71.01 3g5l s THR 193 CO 0.03 0.00 1.82 0.58 -0.54 0.00 0.00 174.62 176.51 3g5l h VAL 194 N -0.96 1.26 -0.17 2.29 2.07 -1.97 -3.00 116.25 115.78 3g5l h VAL 194 Ca -0.45 -0.74 0.05 0.00 0.82 0.00 0.00 66.70 66.38 3g5l h VAL 194 Cb 1.32 0.18 -0.06 0.00 -1.52 0.00 0.00 31.29 31.20 3g5l h VAL 194 CO 0.62 0.32 -0.26 0.74 0.02 0.00 0.00 177.57 179.00 3g5l h THR 195 N 1.21 0.37 -0.17 2.57 2.02 -1.99 -2.04 112.91 114.89 3g5l h THR 195 Ca 0.29 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.52 3g5l h THR 195 Cb 0.12 0.37 -0.05 0.00 -1.74 0.00 0.00 68.15 66.86 3g5l h THR 195 CO -0.04 0.00 -0.13 0.74 0.37 0.00 0.00 175.52 176.46 3g5l h THR 196 N -0.31 0.63 -0.43 3.16 2.02 -1.91 0.54 112.91 116.62 3g5l h THR 196 Ca 0.11 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.31 3g5l h THR 196 Cb 0.48 0.63 -0.03 0.00 -1.74 0.00 0.00 68.15 67.49 3g5l h THR 196 CO -0.35 0.00 0.24 1.88 0.37 0.00 0.00 175.52 177.66 3g5l h TYR 197 N -0.14 0.45 -0.05 3.16 0.05 -1.43 -1.72 116.97 117.28 3g5l h TYR 197 Ca 0.10 0.02 -0.05 0.00 0.05 0.00 0.00 58.73 58.85 3g5l h TYR 197 Cb 0.29 -0.14 0.00 0.00 1.01 0.00 0.00 36.73 37.89 3g5l h TYR 197 CO -0.27 0.25 -0.16 0.82 -1.05 0.00 0.00 178.16 177.75 3g5l h ILE 198 N 0.48 1.45 0.00 -2.88 2.04 -0.93 -3.11 117.51 114.57 3g5l h ILE 198 Ca 0.17 -1.58 -0.08 0.00 1.00 0.00 0.00 64.86 64.37 3g5l h ILE 198 Cb 0.03 2.37 -0.01 0.00 -0.74 0.00 0.00 36.82 38.47 3g5l h ILE 198 CO -0.09 0.44 -0.36 1.56 0.00 0.00 0.00 178.15 179.70 3g5l h GLN 199 N -0.35 0.00 -0.14 2.37 1.08 0.06 -1.91 115.11 116.23 3g5l h GLN 199 Ca -0.01 0.00 -0.10 0.00 -1.45 0.00 0.00 58.65 57.09 3g5l h GLN 199 Cb 0.80 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.23 3g5l h GLN 199 CO 0.03 0.36 -0.31 1.15 -0.95 0.00 0.00 178.83 179.11 3g5l h THR 200 N 0.00 1.36 -0.21 -0.54 2.02 -1.41 -0.56 112.91 113.57 3g5l h THR 200 Ca -0.00 -1.58 0.04 0.00 0.77 0.00 0.00 66.41 65.64 3g5l h THR 200 Cb 0.84 2.02 -0.04 0.00 -1.74 0.00 0.00 68.15 69.23 3g5l h THR 200 CO 0.05 0.47 -0.06 -0.07 0.37 0.00 0.00 175.52 176.28 3g5l h LEU 201 N 0.08 -0.21 -0.59 2.58 3.38 -1.45 -2.27 115.31 116.83 3g5l h LEU 201 Ca 0.00 0.06 0.03 0.00 0.09 0.00 0.00 57.88 58.07 3g5l h LEU 201 Cb 0.91 0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.76 3g5l h LEU 201 CO 0.07 -0.08 0.35 -0.07 0.09 0.00 0.00 178.44 178.81 3g5l h LEU 202 N -0.01 0.57 -0.57 1.67 4.07 -1.32 -0.99 115.31 118.73 3g5l h LEU 202 Ca 0.10 0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.07 3g5l h LEU 202 Cb 0.16 -0.11 0.00 0.00 1.08 0.00 0.00 40.66 41.79 3g5l h LEU 202 CO -0.22 0.39 0.00 0.07 -1.08 0.00 0.00 178.44 177.60 3g5l h LYS 203 N 0.69 0.00 -0.58 1.13 2.10 -0.95 -2.91 116.57 116.06 3g5l h LYS 203 Ca 0.24 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.89 3g5l h LYS 203 Cb 0.04 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.37 3g5l h LYS 203 CO -0.11 0.00 0.00 0.09 -2.00 0.00 0.00 179.45 177.43 3g5l n ASN 204 N -2.85 3.17 0.00 7.07 3.02 -0.87 -4.95 115.26 119.85 3g5l n ASN 204 Ca 0.03 -1.99 0.00 0.00 -0.03 0.00 0.00 54.58 52.59 3g5l n ASN 204 Cb 0.40 -0.39 0.00 0.00 -0.61 0.00 0.00 39.78 39.19 3g5l n ASN 204 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3g5l n GLY 205 N 1.45 1.02 3.93 7.41 0.00 -1.10 -4.92 105.19 112.97 3g5l n GLY 205 Ca 0.20 -0.45 -0.30 0.00 0.00 0.00 0.00 46.02 45.47 3g5l n GLY 205 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3g5l s PHE 206 N -2.00 3.51 -0.16 1.61 0.08 -0.40 -1.20 117.98 119.43 3g5l s PHE 206 Ca 0.00 0.22 -0.07 0.00 0.12 0.00 0.00 56.93 57.20 3g5l s PHE 206 Cb 0.00 -1.74 -0.04 0.00 -0.57 0.00 0.00 43.02 40.67 3g5l s PHE 206 CO 0.00 0.57 0.10 -1.14 -0.10 0.00 0.00 175.22 174.64 3g5l s GLN 207 N -2.71 3.75 -0.21 0.44 0.74 0.22 -4.21 119.66 117.68 3g5l s GLN 207 Ca 0.35 -0.25 -0.29 0.00 0.05 0.00 0.00 55.36 55.22 3g5l s GLN 207 Cb -0.12 -3.21 0.01 0.00 1.10 0.00 0.00 33.01 30.78 3g5l s GLN 207 CO 0.28 0.49 1.03 0.42 -0.55 0.00 0.00 175.29 176.96 3g5l s ILE 208 N -0.22 4.70 -0.15 -2.34 -1.09 -1.26 -1.24 121.20 119.60 3g5l s ILE 208 Ca 0.09 2.03 0.17 0.00 -2.23 0.00 0.00 60.65 60.71 3g5l s ILE 208 Cb -0.12 -4.31 -0.24 0.00 -1.58 0.00 0.00 42.46 36.21 3g5l s ILE 208 CO 0.01 -0.15 0.13 0.59 -1.23 0.00 0.00 174.94 174.29 3g5l n ASN 209 N 6.09 0.54 -3.64 3.58 3.02 -0.02 -4.98 115.26 119.85 3g5l n ASN 209 Ca 0.11 0.00 -0.05 0.00 -0.03 0.00 0.00 54.58 54.61 3g5l n ASN 209 Cb 0.46 1.11 -0.07 0.00 -0.61 0.00 0.00 39.78 40.68 3g5l n ASN 209 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 3g5l s SER 210 N -5.05 -0.60 -0.15 6.41 0.15 -1.14 -4.98 113.70 108.33 3g5l s SER 210 Ca -0.09 1.01 -0.00 0.00 0.70 0.00 0.00 55.95 57.57 3g5l s SER 210 Cb 0.07 1.19 0.04 0.00 -1.71 0.00 0.00 66.02 65.61 3g5l s SER 210 CO 0.75 -0.16 -0.06 -0.69 1.20 0.00 0.00 173.24 174.28 3g5l s VAL 211 N 1.14 1.08 -0.04 4.45 1.01 -1.26 -1.08 120.40 125.70 3g5l s VAL 211 Ca -0.06 -0.53 0.04 0.00 0.00 0.00 0.00 61.98 61.43 3g5l s VAL 211 Cb -0.04 -1.21 -0.00 0.00 0.00 0.00 0.00 36.38 35.12 3g5l s VAL 211 CO -0.14 0.19 -0.17 -0.63 0.00 0.00 0.00 175.10 174.36 3g5l s ILE 212 N 1.66 1.38 -0.42 2.22 -1.09 -0.11 -5.00 121.20 119.84 3g5l s ILE 212 Ca 0.02 -0.70 -0.05 0.00 -2.23 0.00 0.00 60.65 57.69 3g5l s ILE 212 Cb -0.14 -1.19 0.10 0.00 -1.58 0.00 0.00 42.46 39.65 3g5l s ILE 212 CO -0.08 0.40 0.23 -1.61 -1.23 0.00 0.00 174.94 172.65 3g5l s GLU 213 N 0.00 2.24 0.50 2.79 2.02 -1.26 -0.78 118.70 124.22 3g5l s GLU 213 Ca -0.03 -1.71 -0.21 0.00 0.02 0.00 0.00 54.97 53.04 3g5l s GLU 213 Cb -0.11 -3.67 -0.07 0.00 0.10 0.00 0.00 34.13 30.38 3g5l s GLU 213 CO 0.02 -1.05 1.11 -1.25 0.02 0.00 0.00 175.26 174.10 3g5l s PRO 214 N 1.25 3.63 0.13 0.39 0.04 -1.26 -5.04 135.00 134.14 3g5l s PRO 214 Ca 0.06 1.58 0.06 0.00 0.04 0.00 0.00 61.00 62.74 3g5l s PRO 214 Cb -0.23 -2.17 -0.04 0.00 0.04 0.00 0.00 34.50 32.10 3g5l s PRO 214 CO -0.02 -0.61 -0.01 -1.21 0.04 0.00 0.00 177.00 175.19 3g5l s GLU 215 N -3.07 2.45 0.80 4.56 2.02 -1.26 -4.64 118.70 119.57 3g5l s GLU 215 Ca 0.68 -0.97 -0.11 0.00 0.02 0.00 0.00 54.97 54.59 3g5l s GLU 215 Cb -0.23 -2.44 0.07 0.00 0.10 0.00 0.00 34.13 31.63 3g5l s GLU 215 CO 0.27 0.50 1.10 -1.25 0.02 0.00 0.00 175.26 175.90 3g5l s PRO 216 N -2.59 2.05 0.26 0.39 0.04 -1.26 -5.09 135.00 128.79 3g5l s PRO 216 Ca 0.26 0.62 0.18 0.00 0.04 0.00 0.00 61.00 62.10 3g5l s PRO 216 Cb -0.11 -1.92 0.07 0.00 0.04 0.00 0.00 34.50 32.59 3g5l s PRO 216 CO 0.18 -1.64 1.29 0.00 0.04 0.00 0.00 177.00 176.87 3g5l h ALA 217 N -1.10 0.71 -0.45 8.56 0.00 -1.99 -3.51 119.26 121.48 3g5l h ALA 217 Ca -0.47 -0.38 0.03 0.00 0.00 0.00 0.00 54.91 54.09 3g5l h ALA 217 Cb 1.27 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 3g5l h ALA 217 CO 0.59 0.47 -0.04 -0.35 0.00 0.00 0.00 179.25 179.92 3g5l n PRO 224 N -3.05 -0.25 -2.25 0.00 -0.04 -1.26 -5.16 135.00 123.00 3g5l n PRO 224 Ca -0.00 0.16 -0.40 0.00 -0.04 0.00 0.00 63.50 63.22 3g5l n PRO 224 Cb 0.69 -0.30 0.02 0.00 -0.04 0.00 0.00 33.50 33.87 3g5l n PRO 224 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 3g5l n GLU 225 N -0.94 4.19 0.00 0.54 0.00 -1.26 -3.86 120.64 119.31 3g5l n GLU 225 Ca 0.00 -4.00 0.07 0.00 0.00 0.00 0.00 57.16 53.24 3g5l n GLU 225 Cb 0.06 -2.39 -0.02 0.00 0.00 0.00 0.00 31.44 29.09 3g5l n GLU 225 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 3g5l n MET 226 N -0.04 1.83 -0.33 3.44 2.81 -1.26 -4.65 117.12 118.93 3g5l n MET 226 Ca 0.51 -0.59 0.04 0.00 -1.81 0.00 0.00 57.70 55.85 3g5l n MET 226 Cb 0.27 -1.24 0.23 0.00 -0.71 0.00 0.00 33.22 31.76 3g5l n MET 226 CO 0.00 0.00 0.00 0.37 1.51 0.00 0.00 175.97 177.85 3g5l h GLN 227 N 1.29 1.03 -0.01 0.03 4.15 -2.03 -2.38 115.11 117.19 3g5l h GLN 227 Ca 0.00 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.36 3g5l h GLN 227 Cb 0.48 -0.23 0.00 0.00 0.21 0.00 0.00 27.48 27.94 3g5l h GLN 227 CO 0.00 0.68 -0.17 -0.25 -1.93 0.00 0.00 178.83 177.16 3g5l n ASP 228 N -4.51 1.21 0.09 -0.69 9.92 -1.26 -4.27 116.55 117.05 3g5l n ASP 228 Ca 0.15 -1.11 0.12 0.00 -0.53 0.00 0.00 54.79 53.42 3g5l n ASP 228 Cb 0.22 0.09 0.45 0.00 -0.64 0.00 0.00 41.12 41.25 3g5l n ASP 228 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 3g5l n GLU 229 N -0.35 0.18 0.00 -1.24 -0.58 -0.90 -2.62 120.64 115.14 3g5l n GLU 229 Ca 0.14 0.29 0.14 0.00 -0.42 0.00 0.00 57.16 57.31 3g5l n GLU 229 Cb 0.35 -1.77 0.68 0.00 -0.57 0.00 0.00 31.44 30.14 3g5l n GLU 229 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 3g5l n TYR 230 N -2.10 0.00 -0.02 -0.32 4.02 -1.26 -3.98 117.16 113.50 3g5l n TYR 230 Ca 0.04 0.00 -0.07 0.00 -0.01 0.00 0.00 57.90 57.86 3g5l n TYR 230 Cb 0.31 -0.26 -0.13 0.00 -0.02 0.00 0.00 39.34 39.23 3g5l n TYR 230 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 3g5l n ARG 231 N -1.20 0.64 -3.86 -0.72 1.74 -1.08 -4.95 116.66 107.23 3g5l n ARG 231 Ca 0.14 0.25 -0.11 0.00 -0.77 0.00 0.00 57.85 57.36 3g5l n ARG 231 Cb 0.26 -1.76 -0.09 0.00 -1.02 0.00 0.00 32.46 29.85 3g5l n ARG 231 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 3g5l s ARG 232 N -2.64 0.64 0.18 5.56 1.04 -1.26 -4.97 118.95 117.50 3g5l s ARG 232 Ca -0.05 -0.59 -0.28 0.00 -1.04 0.00 0.00 55.73 53.77 3g5l s ARG 232 Cb 0.08 0.26 -0.08 0.00 -2.04 0.00 0.00 34.95 33.17 3g5l s ARG 232 CO 0.82 -0.18 0.87 -1.25 -0.04 0.00 0.00 175.30 175.53 3g5l s PRO 233 N -2.30 4.70 -0.20 3.89 0.04 -1.26 -4.89 135.00 134.97 3g5l s PRO 233 Ca -0.07 1.33 0.11 0.00 0.04 0.00 0.00 61.00 62.41 3g5l s PRO 233 Cb -0.02 -3.30 -0.20 0.00 0.04 0.00 0.00 34.50 31.02 3g5l s PRO 233 CO -0.03 0.46 -0.04 -0.12 0.04 0.00 0.00 177.00 177.32 3g5l n MET 234 N 1.86 0.84 -4.11 4.56 1.56 -1.26 -4.15 117.12 116.43 3g5l n MET 234 Ca -0.03 0.04 -0.15 0.00 -0.27 0.00 0.00 57.70 57.30 3g5l n MET 234 Cb 0.48 -1.47 -0.12 0.00 2.15 0.00 0.00 33.22 34.26 3g5l n MET 234 CO 0.00 0.00 0.00 -1.64 -0.73 0.00 0.00 175.97 173.60 3g5l s MET 235 N -2.46 0.60 -0.14 2.12 -1.94 -1.26 -0.38 119.30 115.84 3g5l s MET 235 Ca -0.18 -0.76 0.02 0.00 -1.71 0.00 0.00 55.69 53.07 3g5l s MET 235 Cb 0.06 -0.44 0.01 0.00 2.01 0.00 0.00 34.83 36.47 3g5l s MET 235 CO 0.68 0.09 -0.21 -1.17 -0.01 0.00 0.00 175.02 174.40 3g5l s LEU 236 N -1.49 2.04 -0.13 -0.03 2.96 0.84 -4.06 118.68 118.80 3g5l s LEU 236 Ca -0.07 -0.58 -0.00 0.00 -0.22 0.00 0.00 54.13 53.26 3g5l s LEU 236 Cb -0.09 -1.38 -0.01 0.00 0.50 0.00 0.00 46.19 45.20 3g5l s LEU 236 CO 0.01 0.06 -0.13 -0.76 -1.32 0.00 0.00 176.35 174.21 3g5l s LEU 237 N 0.88 2.69 -0.05 -0.68 1.02 0.04 -1.24 118.68 121.34 3g5l s LEU 237 Ca -0.06 -0.34 0.03 0.00 0.02 0.00 0.00 54.13 53.78 3g5l s LEU 237 Cb -0.15 -1.60 0.01 0.00 0.02 0.00 0.00 46.19 44.46 3g5l s LEU 237 CO -0.03 0.16 -0.13 -0.63 0.02 0.00 0.00 176.35 175.74 3g5l s ILE 238 N 0.38 1.15 -0.15 -0.59 1.01 -0.62 -0.93 121.20 121.46 3g5l s ILE 238 Ca -0.11 -0.53 -0.02 0.00 0.00 0.00 0.00 60.65 59.99 3g5l s ILE 238 Cb -0.16 -1.02 -0.02 0.00 0.01 0.00 0.00 42.46 41.27 3g5l s ILE 238 CO 0.06 0.35 -0.09 -0.55 0.00 0.00 0.00 174.94 174.71 3g5l s SER 239 N 0.34 4.35 0.04 3.58 0.15 -0.24 -1.43 113.70 120.48 3g5l s SER 239 Ca -0.08 -0.25 0.02 0.00 0.70 0.00 0.00 55.95 56.34 3g5l s SER 239 Cb -0.13 -1.69 -0.02 0.00 -1.71 0.00 0.00 66.02 62.47 3g5l s SER 239 CO 0.02 0.15 -0.08 0.00 1.20 0.00 0.00 173.24 174.54 3g5l s ALA 240 N 0.45 0.55 0.01 5.45 0.00 -0.30 -0.84 121.76 127.09 3g5l s ALA 240 Ca -0.07 -0.75 0.08 0.00 0.00 0.00 0.00 51.96 51.22 3g5l s ALA 240 Cb -0.15 0.05 -0.02 0.00 0.00 0.00 0.00 23.12 22.99 3g5l s ALA 240 CO 0.04 -0.03 -0.25 0.95 0.00 0.00 0.00 175.76 176.48 3g5l s THR 241 N -1.38 1.97 0.20 0.00 -4.23 -0.37 0.09 115.64 111.93 3g5l s THR 241 Ca -0.10 -1.18 -0.31 0.00 -1.18 0.00 0.00 61.69 58.92 3g5l s THR 241 Cb -0.10 -1.66 -0.10 0.00 1.34 0.00 0.00 72.50 71.98 3g5l s THR 241 CO 0.00 0.44 1.53 -0.75 -0.54 0.00 0.00 174.62 175.31 3g5l s LYS 242 N -0.88 4.22 -0.03 3.99 2.20 0.78 -0.61 119.74 129.41 3g5l s LYS 242 Ca 0.10 2.37 0.07 0.00 -0.36 0.00 0.00 55.97 58.14 3g5l s LYS 242 Cb -0.10 -3.13 -0.02 0.00 -1.51 0.00 0.00 37.83 33.08 3g5l s LYS 242 CO 0.00 -0.55 -0.24 -0.65 -0.36 0.00 0.00 175.35 173.55 3g5l s GLN 243 N 0.53 2.29 0.00 4.03 -1.52 -0.34 -2.86 119.66 121.79 3g5l s GLN 243 Ca 0.66 -0.88 0.05 0.00 -1.95 0.00 0.00 55.36 53.24 3g5l s GLN 243 Cb -0.44 -2.13 0.04 0.00 -0.22 0.00 0.00 33.01 30.26 3g5l s GLN 243 CO 0.36 0.53 0.66 0.39 -0.25 0.00 0.00 175.29 176.98