#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mhc s TRP 5 N 0.00 2.25 0.00 1.57 1.48 -1.26 -4.88 118.94 118.09 3mhc s TRP 5 Ca 0.00 1.51 0.00 0.00 -1.06 0.00 0.00 56.10 56.55 3mhc s TRP 5 Cb 0.00 -3.56 0.00 0.00 -1.16 0.00 0.00 33.47 28.75 3mhc s TRP 5 CO 0.00 -2.51 0.00 0.41 -4.06 0.00 0.00 176.95 170.79 3mhc n GLY 6 N 0.64 2.82 0.15 3.67 0.00 -0.26 -5.03 105.19 107.17 3mhc n GLY 6 Ca 0.14 -0.30 0.07 0.00 0.00 0.00 0.00 46.02 45.94 3mhc n GLY 6 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3mhc n TYR 7 N 0.00 0.00 -2.14 1.61 4.01 -1.26 -3.78 117.16 115.60 3mhc n TYR 7 Ca 0.00 -0.72 -0.20 0.00 -0.16 0.00 0.00 57.90 56.82 3mhc n TYR 7 Cb 0.00 -0.12 0.12 0.00 -0.31 0.00 0.00 39.34 39.04 3mhc n TYR 7 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3mhc n GLY 8 N -1.02 -0.33 0.26 2.72 0.00 -1.26 -4.71 105.19 100.85 3mhc n GLY 8 Ca 0.11 -1.87 0.04 0.00 0.00 0.00 0.00 46.02 44.30 3mhc n GLY 8 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3mhc h LYS 9 N 0.00 0.28 -0.00 1.61 1.63 -1.98 -1.65 116.57 116.45 3mhc h LYS 9 Ca -0.29 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.47 3mhc h LYS 9 Cb 0.94 -0.05 0.00 0.00 -0.60 0.00 0.00 32.23 32.52 3mhc h LYS 9 CO 0.26 0.30 -0.59 0.72 -3.45 0.00 0.00 179.45 176.69 3mhc n HIS 10 N -4.38 0.00 -1.21 1.91 8.25 -1.26 -4.54 115.22 113.99 3mhc n HIS 10 Ca -0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3mhc n HIS 10 Cb 0.17 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.29 3mhc n HIS 10 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 3mhc n ASN 11 N -0.88 0.28 -3.13 0.41 6.94 -1.21 -4.95 115.26 112.73 3mhc n ASN 11 Ca 0.05 -1.48 -0.18 0.00 -0.02 0.00 0.00 54.58 52.95 3mhc n ASN 11 Cb 0.29 -0.08 0.13 0.00 -2.36 0.00 0.00 39.78 37.76 3mhc n ASN 11 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3mhc n GLY 12 N -0.11 -1.91 0.48 4.83 0.00 -0.63 -1.11 105.19 106.75 3mhc n GLY 12 Ca 0.01 -1.60 0.30 0.00 0.00 0.00 0.00 46.02 44.73 3mhc n GLY 12 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3mhc h PRO 13 N 0.00 0.07 0.00 1.61 0.11 -1.86 0.35 132.00 132.27 3mhc h PRO 13 Ca -0.25 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.86 3mhc h PRO 13 Cb 0.72 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.82 3mhc h PRO 13 CO 0.17 0.04 0.00 0.93 -0.21 0.00 0.00 178.00 178.94 3mhc h GLU 14 N 0.07 0.00 0.00 1.05 4.39 -1.94 -2.85 114.58 115.29 3mhc h GLU 14 Ca 0.50 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.20 3mhc h GLU 14 Cb 1.86 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.51 3mhc h GLU 14 CO -0.05 0.00 -1.44 0.72 -1.16 0.00 0.00 179.01 177.08 3mhc n HIS 15 N -2.30 0.05 0.25 4.33 8.25 0.12 -4.60 115.22 121.33 3mhc n HIS 15 Ca 0.02 0.02 0.08 0.00 -0.26 0.00 0.00 57.72 57.58 3mhc n HIS 15 Cb 0.26 -0.30 0.63 0.00 1.12 0.00 0.00 29.99 31.70 3mhc n HIS 15 CO 0.00 0.00 0.00 -1.49 0.64 0.00 0.00 176.34 175.49 3mhc h TRP 16 N 0.00 0.00 0.00 4.41 6.55 -1.45 -2.32 115.95 123.14 3mhc h TRP 16 Ca 0.00 0.00 -0.01 0.00 0.95 0.00 0.00 58.89 59.83 3mhc h TRP 16 Cb 0.76 0.00 -0.00 0.00 -0.86 0.00 0.00 29.16 29.06 3mhc h TRP 16 CO 0.00 0.05 -0.04 1.12 -1.05 0.00 0.00 178.44 178.52 3mhc h HIS 17 N 0.00 0.00 -0.33 0.49 2.07 -1.79 0.14 115.15 115.73 3mhc h HIS 17 Ca -0.00 0.00 -0.08 0.00 -2.85 0.00 0.00 60.37 57.44 3mhc h HIS 17 Cb 0.10 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.07 3mhc h HIS 17 CO 0.00 0.04 -0.11 0.87 -3.07 0.00 0.00 177.93 175.66 3mhc h LYS 18 N 0.00 0.67 0.00 5.12 1.57 -1.76 -2.82 116.57 119.35 3mhc h LYS 18 Ca -0.00 -0.27 -0.20 0.00 -1.87 0.00 0.00 60.65 58.31 3mhc h LYS 18 Cb 0.20 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.45 3mhc h LYS 18 CO 0.01 0.85 -1.20 -0.44 -0.57 0.00 0.00 179.45 178.10 3mhc h ASP 19 N 0.44 0.00 -3.08 0.86 3.32 -1.66 -3.43 116.42 112.89 3mhc h ASP 19 Ca 0.08 0.00 -0.61 0.00 0.02 0.00 0.00 57.03 56.52 3mhc h ASP 19 Cb 0.62 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 39.77 3mhc h ASP 19 CO 0.04 0.80 -0.75 -0.36 -1.72 0.00 0.00 179.24 177.24 3mhc s PHE 20 N -2.78 2.21 0.60 4.55 0.08 0.46 -4.98 117.98 118.13 3mhc s PHE 20 Ca -0.01 -2.67 0.30 0.00 0.12 0.00 0.00 56.93 54.67 3mhc s PHE 20 Cb 0.09 -1.87 1.71 0.00 -0.57 0.00 0.00 43.02 42.37 3mhc s PHE 20 CO 0.80 -0.72 2.11 -1.35 -0.10 0.00 0.00 175.22 175.96 3mhc h PRO 21 N 6.04 0.00 0.00 0.24 0.11 -1.74 0.07 132.00 136.72 3mhc h PRO 21 Ca 0.11 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.22 3mhc h PRO 21 Cb 0.87 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.98 3mhc h PRO 21 CO 0.52 0.00 0.00 1.51 -0.21 0.00 0.00 178.00 179.82 3mhc n ILE 22 N -3.70 1.30 0.21 4.15 3.06 -1.26 -2.12 119.36 121.00 3mhc n ILE 22 Ca 0.01 0.33 0.17 0.00 -2.50 0.00 0.00 62.75 60.75 3mhc n ILE 22 Cb 0.31 -1.18 0.83 0.00 0.54 0.00 0.00 39.64 40.14 3mhc n ILE 22 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3mhc h ALA 23 N 2.32 1.80 -0.60 1.51 0.00 -1.29 0.18 119.26 123.17 3mhc h ALA 23 Ca 0.00 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.72 3mhc h ALA 23 Cb 0.14 0.01 -0.11 0.00 0.00 0.00 0.00 17.79 17.83 3mhc h ALA 23 CO 0.00 -0.26 0.18 1.63 0.00 0.00 0.00 179.25 180.80 3mhc n LYS 24 N -3.85 3.18 0.00 0.00 5.02 -0.90 -4.95 118.16 116.66 3mhc n LYS 24 Ca 0.01 -3.06 0.00 0.00 -2.02 0.00 0.00 58.31 53.24 3mhc n LYS 24 Cb 0.29 -2.08 0.00 0.00 -0.02 0.00 0.00 35.03 33.23 3mhc n LYS 24 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3mhc n GLY 25 N -0.44 -1.72 0.09 0.72 0.00 0.62 -5.00 105.19 99.46 3mhc n GLY 25 Ca 0.37 -1.57 0.12 0.00 0.00 0.00 0.00 46.02 44.94 3mhc n GLY 25 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3mhc h GLU 26 N 0.00 0.00 -1.84 1.61 4.39 -1.95 -3.39 114.58 113.40 3mhc h GLU 26 Ca 0.00 0.00 -0.47 0.00 0.34 0.00 0.00 59.36 59.23 3mhc h GLU 26 Cb 0.00 0.00 -0.40 0.00 -0.10 0.00 0.00 28.75 28.25 3mhc h GLU 26 CO 0.00 0.00 -1.17 2.89 -1.16 0.00 0.00 179.01 179.57 3mhc n ARG 27 N -2.39 1.11 -3.15 2.33 1.85 -1.26 -4.58 116.66 110.56 3mhc n ARG 27 Ca 0.02 -3.43 -0.32 0.00 -1.00 0.00 0.00 57.85 53.12 3mhc n ARG 27 Cb 0.49 -1.66 -0.05 0.00 -1.05 0.00 0.00 32.46 30.19 3mhc n ARG 27 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 3mhc s GLN 28 N -2.59 3.89 0.17 2.89 -1.52 -1.26 -2.73 119.66 118.51 3mhc s GLN 28 Ca 0.38 0.50 0.08 0.00 -1.95 0.00 0.00 55.36 54.37 3mhc s GLN 28 Cb 0.37 -2.48 -0.04 0.00 -0.22 0.00 0.00 33.01 30.63 3mhc s GLN 28 CO -0.06 0.15 -0.16 -1.12 -0.25 0.00 0.00 175.29 173.85 3mhc s SER 29 N -2.53 2.50 1.05 5.90 0.01 -1.26 -4.65 113.70 114.73 3mhc s SER 29 Ca 0.51 -0.93 -0.16 0.00 1.31 0.00 0.00 55.95 56.69 3mhc s SER 29 Cb -0.10 -0.13 0.22 0.00 0.21 0.00 0.00 66.02 66.22 3mhc s SER 29 CO 0.22 -0.12 1.17 -0.81 0.41 0.00 0.00 173.24 174.11 3mhc n PRO 30 N 0.02 -1.60 -4.16 12.44 -0.04 -1.26 -4.52 135.00 135.88 3mhc n PRO 30 Ca -0.11 -1.83 -0.10 0.00 -0.04 0.00 0.00 63.50 61.42 3mhc n PRO 30 Cb 0.59 -1.32 -0.10 0.00 -0.04 0.00 0.00 33.50 32.63 3mhc n PRO 30 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3mhc s VAL 31 N -3.48 0.32 0.09 0.52 -7.23 -1.26 -0.49 120.40 108.87 3mhc s VAL 31 Ca 0.68 -1.91 -0.30 0.00 -1.81 0.00 0.00 61.98 58.64 3mhc s VAL 31 Cb -0.03 -1.92 -0.05 0.00 0.56 0.00 0.00 36.38 34.93 3mhc s VAL 31 CO 0.49 -0.61 1.01 -0.62 -0.31 0.00 0.00 175.10 175.05 3mhc s ASP 32 N -3.05 7.40 -0.52 4.85 2.15 -1.26 -2.91 116.67 123.32 3mhc s ASP 32 Ca 0.19 1.83 -0.18 0.00 0.43 0.00 0.00 52.55 54.82 3mhc s ASP 32 Cb 0.07 -2.59 0.07 0.00 -0.30 0.00 0.00 42.92 40.18 3mhc s ASP 32 CO -0.01 -0.17 0.58 -0.63 -0.17 0.00 0.00 175.17 174.77 3mhc s ILE 33 N 0.29 4.97 -0.56 4.11 1.01 0.74 -4.93 121.20 126.82 3mhc s ILE 33 Ca 0.49 -0.79 -0.25 0.00 0.00 0.00 0.00 60.65 60.11 3mhc s ILE 33 Cb -0.24 -4.30 0.04 0.00 0.01 0.00 0.00 42.46 37.97 3mhc s ILE 33 CO 0.30 -0.82 1.01 -0.62 0.00 0.00 0.00 174.94 174.81 3mhc s ASP 34 N 2.91 6.36 0.49 3.58 -1.08 -1.26 -0.44 116.67 127.23 3mhc s ASP 34 Ca 0.11 -0.25 0.26 0.00 -0.52 0.00 0.00 52.55 52.15 3mhc s ASP 34 Cb -0.22 -2.47 1.24 0.00 -1.46 0.00 0.00 42.92 40.01 3mhc s ASP 34 CO 0.09 -1.31 1.97 0.71 0.52 0.00 0.00 175.17 177.15 3mhc h THR 35 N 6.06 0.57 0.00 1.71 1.35 -1.95 -1.38 112.91 119.27 3mhc h THR 35 Ca -0.26 -0.78 -0.01 0.00 -0.55 0.00 0.00 66.41 64.81 3mhc h THR 35 Cb 1.07 1.52 -0.00 0.00 -1.73 0.00 0.00 68.15 69.00 3mhc h THR 35 CO 1.12 0.17 -0.29 0.45 -0.25 0.00 0.00 175.52 176.72 3mhc h HIS 36 N 0.00 0.00 0.00 4.73 3.86 -2.03 -3.29 115.15 118.41 3mhc h HIS 36 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3mhc h HIS 36 Cb 0.50 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.97 3mhc h HIS 36 CO 0.00 0.04 -1.79 2.41 0.86 0.00 0.00 177.93 179.44 3mhc n THR 37 N -3.00 0.07 -1.83 2.45 -1.04 -0.71 -4.93 114.28 105.28 3mhc n THR 37 Ca 0.03 -0.46 -0.41 0.00 -2.04 0.00 0.00 64.05 61.16 3mhc n THR 37 Cb 0.55 0.05 -0.01 0.00 -1.82 0.00 0.00 70.33 69.10 3mhc n THR 37 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3mhc s ALA 38 N -3.46 3.67 -0.26 2.41 0.00 -0.60 -4.86 121.76 118.67 3mhc s ALA 38 Ca -0.06 1.53 -0.14 0.00 0.00 0.00 0.00 51.96 53.29 3mhc s ALA 38 Cb 0.14 -3.62 -0.04 0.00 0.00 0.00 0.00 23.12 19.60 3mhc s ALA 38 CO 0.89 -0.96 0.35 0.21 0.00 0.00 0.00 175.76 176.25 3mhc s LYS 39 N -0.98 4.04 0.22 0.00 2.47 -0.54 -4.80 119.74 120.14 3mhc s LYS 39 Ca 0.59 0.01 -0.32 0.00 -1.56 0.00 0.00 55.97 54.70 3mhc s LYS 39 Cb -0.46 -3.63 -0.12 0.00 -1.46 0.00 0.00 37.83 32.15 3mhc s LYS 39 CO 0.52 -0.21 1.67 0.98 0.16 0.00 0.00 175.35 178.47 3mhc n TYR 40 N 5.10 2.69 -3.96 4.03 9.36 -1.26 -0.35 117.16 132.78 3mhc n TYR 40 Ca -0.09 0.13 -0.31 0.00 3.32 0.00 0.00 57.90 60.95 3mhc n TYR 40 Cb 0.51 -2.63 -0.15 0.00 -0.63 0.00 0.00 39.34 36.44 3mhc n TYR 40 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 3mhc s ASP 41 N 0.96 4.60 0.20 2.98 -1.08 -0.34 -4.84 116.67 119.15 3mhc s ASP 41 Ca 0.73 -2.03 0.20 0.00 -0.52 0.00 0.00 52.55 50.93 3mhc s ASP 41 Cb -0.53 -1.47 0.88 0.00 -1.46 0.00 0.00 42.92 40.34 3mhc s ASP 41 CO 0.37 -0.38 1.61 -2.65 0.52 0.00 0.00 175.17 174.63 3mhc n PRO 42 N 4.38 0.13 0.00 4.34 -0.02 -1.26 -1.44 135.00 141.13 3mhc n PRO 42 Ca 0.02 0.43 0.12 0.00 -2.02 0.00 0.00 63.50 62.06 3mhc n PRO 42 Cb 0.42 -1.79 0.30 0.00 -0.02 0.00 0.00 33.50 32.41 3mhc n PRO 42 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3mhc n SER 43 N -2.05 0.46 -4.72 2.55 3.41 -1.26 -4.86 113.62 107.16 3mhc n SER 43 Ca 0.02 -0.19 -0.42 0.00 -0.26 0.00 0.00 58.87 58.01 3mhc n SER 43 Cb 0.17 0.16 -0.03 0.00 -0.26 0.00 0.00 64.21 64.25 3mhc n SER 43 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3mhc s LEU 44 N -2.98 4.37 0.62 1.04 1.43 -0.52 -4.99 118.68 117.65 3mhc s LEU 44 Ca 0.12 2.60 -0.11 0.00 -1.03 0.00 0.00 54.13 55.71 3mhc s LEU 44 Cb 0.18 -3.59 -0.04 0.00 0.03 0.00 0.00 46.19 42.76 3mhc s LEU 44 CO 0.67 -0.83 1.03 -0.54 0.23 0.00 0.00 176.35 176.91 3mhc s LYS 45 N 1.26 3.61 0.53 1.70 1.02 -1.23 -4.97 119.74 121.66 3mhc s LYS 45 Ca 0.70 0.76 -0.21 0.00 0.02 0.00 0.00 55.97 57.24 3mhc s LYS 45 Cb -0.43 -2.08 -0.05 0.00 -0.52 0.00 0.00 37.83 34.74 3mhc s LYS 45 CO 0.31 -0.56 1.25 -2.14 -0.92 0.00 0.00 175.35 173.29 3mhc s PRO 46 N -5.13 3.30 0.54 -1.68 0.02 -1.26 -2.87 135.00 127.92 3mhc s PRO 46 Ca 0.55 1.96 -0.21 0.00 0.02 0.00 0.00 61.00 63.32 3mhc s PRO 46 Cb -0.11 -2.21 -0.05 0.00 0.02 0.00 0.00 34.50 32.15 3mhc s PRO 46 CO 0.53 -0.98 1.26 -0.51 -0.33 0.00 0.00 177.00 176.97 3mhc s LEU 47 N -3.51 3.83 -0.28 -5.54 1.43 -1.26 -1.96 118.68 111.38 3mhc s LEU 47 Ca 0.70 2.52 0.01 0.00 -1.03 0.00 0.00 54.13 56.33 3mhc s LEU 47 Cb -0.33 -4.38 0.05 0.00 0.03 0.00 0.00 46.19 41.56 3mhc s LEU 47 CO 0.39 -1.42 -0.06 -0.55 0.23 0.00 0.00 176.35 174.95 3mhc s SER 48 N -1.28 4.65 -0.35 2.29 0.15 0.88 -4.83 113.70 115.21 3mhc s SER 48 Ca 0.72 -1.32 -0.09 0.00 0.70 0.00 0.00 55.95 55.96 3mhc s SER 48 Cb -0.34 -1.63 0.03 0.00 -1.71 0.00 0.00 66.02 62.37 3mhc s SER 48 CO 0.39 -0.22 0.16 -0.69 1.20 0.00 0.00 173.24 174.08 3mhc s VAL 49 N 1.18 4.27 -0.62 4.45 1.01 -1.26 -1.37 120.40 128.06 3mhc s VAL 49 Ca -0.07 -0.89 0.01 0.00 0.00 0.00 0.00 61.98 61.03 3mhc s VAL 49 Cb -0.20 -3.35 0.16 0.00 0.00 0.00 0.00 36.38 32.99 3mhc s VAL 49 CO -0.03 -0.16 0.41 -0.44 0.00 0.00 0.00 175.10 174.88 3mhc s SER 50 N 1.51 4.90 0.00 3.32 0.01 -0.24 -4.89 113.70 118.30 3mhc s SER 50 Ca 0.01 -3.11 0.12 0.00 1.31 0.00 0.00 55.95 54.29 3mhc s SER 50 Cb -0.19 -1.75 0.32 0.00 0.21 0.00 0.00 66.02 64.61 3mhc s SER 50 CO 0.05 -0.27 1.26 -1.22 0.41 0.00 0.00 173.24 173.47 3mhc n TYR 51 N 3.07 0.48 0.23 2.43 4.01 -1.26 -1.35 117.16 124.77 3mhc n TYR 51 Ca 0.09 -0.46 0.06 0.00 -0.16 0.00 0.00 57.90 57.44 3mhc n TYR 51 Cb 0.35 -0.02 0.54 0.00 -0.31 0.00 0.00 39.34 39.90 3mhc n TYR 51 CO 0.00 0.00 0.00 0.38 -0.46 0.00 0.00 176.86 176.78 3mhc h ASP 52 N 2.30 0.00 -0.56 7.72 2.03 -1.90 -2.16 116.42 123.83 3mhc h ASP 52 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 3mhc h ASP 52 Cb 0.74 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.24 3mhc h ASP 52 CO 0.00 0.17 0.00 0.00 -1.03 0.00 0.00 179.24 178.38 3mhc n GLN 53 N -4.23 3.77 -1.69 4.15 1.13 -1.21 -5.01 117.38 114.29 3mhc n GLN 53 Ca -0.02 -2.87 -0.43 0.00 -1.94 0.00 0.00 57.00 51.73 3mhc n GLN 53 Cb 0.24 -1.90 -0.02 0.00 0.11 0.00 0.00 30.24 28.67 3mhc n GLN 53 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3mhc n ALA 54 N 0.79 1.37 -3.96 -1.58 0.00 -0.82 -4.59 120.51 111.73 3mhc n ALA 54 Ca 0.25 0.39 -0.30 0.00 0.00 0.00 0.00 53.44 53.77 3mhc n ALA 54 Cb 0.91 -2.29 -0.14 0.00 0.00 0.00 0.00 19.45 17.92 3mhc n ALA 54 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3mhc s THR 55 N -0.47 2.31 0.55 0.00 2.01 -1.26 -4.91 115.64 113.87 3mhc s THR 55 Ca 0.62 -2.78 -0.18 0.00 0.31 0.00 0.00 61.69 59.67 3mhc s THR 55 Cb -0.60 -2.65 -0.06 0.00 0.01 0.00 0.00 72.50 69.20 3mhc s THR 55 CO 0.55 -0.71 1.05 -0.94 -0.69 0.00 0.00 174.62 173.88 3mhc s SER 56 N 0.34 6.00 0.00 3.53 1.04 -1.26 -0.72 113.70 122.63 3mhc s SER 56 Ca 0.14 1.88 0.00 0.00 0.48 0.00 0.00 55.95 58.46 3mhc s SER 56 Cb -0.23 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.35 3mhc s SER 56 CO -0.05 -1.02 0.00 0.18 0.98 0.00 0.00 173.24 173.34 3mhc n LEU 57 N -1.56 1.56 -3.55 2.42 4.77 0.28 -4.03 117.00 116.88 3mhc n LEU 57 Ca 0.09 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.94 3mhc n LEU 57 Cb 0.53 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.57 3mhc n LEU 57 CO 0.44 0.23 0.29 -0.60 -1.33 0.00 0.00 177.39 176.41 3mhc s ARG 58 N -1.89 1.10 -0.03 3.23 3.52 -1.22 -1.25 118.95 122.40 3mhc s ARG 58 Ca 0.00 -0.38 0.05 0.00 -0.13 0.00 0.00 55.73 55.27 3mhc s ARG 58 Cb 0.00 0.50 -0.01 0.00 -1.56 0.00 0.00 34.95 33.88 3mhc s ARG 58 CO 0.00 -0.43 -0.19 -1.50 -0.81 0.00 0.00 175.30 172.37 3mhc s ILE 59 N -3.02 1.54 -0.03 4.11 2.07 0.03 -0.71 121.20 125.19 3mhc s ILE 59 Ca -0.02 -0.81 0.01 0.00 -1.41 0.00 0.00 60.65 58.42 3mhc s ILE 59 Cb -0.00 -1.30 0.02 0.00 0.13 0.00 0.00 42.46 41.31 3mhc s ILE 59 CO -0.06 0.44 -0.01 -0.22 -1.91 0.00 0.00 174.94 173.17 3mhc s LEU 60 N -0.22 1.28 -0.38 8.50 2.96 0.14 -0.94 118.68 130.02 3mhc s LEU 60 Ca 0.02 -0.05 -0.24 0.00 -0.22 0.00 0.00 54.13 53.64 3mhc s LEU 60 Cb -0.10 -0.27 0.01 0.00 0.50 0.00 0.00 46.19 46.34 3mhc s LEU 60 CO 0.01 -0.08 0.81 0.21 -1.32 0.00 0.00 176.35 175.98 3mhc s ASN 61 N 0.89 6.54 0.00 3.68 3.84 -0.35 -0.65 114.94 128.88 3mhc s ASN 61 Ca -0.10 0.30 0.20 0.00 0.21 0.00 0.00 52.86 53.47 3mhc s ASN 61 Cb -0.13 -2.41 0.55 0.00 -0.55 0.00 0.00 41.25 38.72 3mhc s ASN 61 CO -0.01 -0.80 1.46 -0.46 -2.79 0.00 0.00 177.10 174.51 3mhc n ASN 62 N 6.56 3.70 0.00 -4.21 0.23 -0.75 -0.48 115.26 120.30 3mhc n ASN 62 Ca 0.04 -1.99 0.00 0.00 -0.53 0.00 0.00 54.58 52.09 3mhc n ASN 62 Cb 0.48 -0.41 0.00 0.00 -2.08 0.00 0.00 39.78 37.77 3mhc n ASN 62 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3mhc n GLY 63 N 1.41 1.37 0.00 4.83 0.00 -1.26 -4.77 105.19 106.77 3mhc n GLY 63 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 3mhc n GLY 63 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3mhc n HIS 64 N -2.00 0.00 -3.08 1.61 8.25 -1.26 -4.69 115.22 114.05 3mhc n HIS 64 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3mhc n HIS 64 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 3mhc n HIS 64 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3mhc n ALA 65 N -1.26 0.00 -2.69 -1.41 0.00 -1.26 -4.87 120.51 109.01 3mhc n ALA 65 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.11 3mhc n ALA 65 Cb 0.16 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.47 3mhc n ALA 65 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 3mhc s PHE 66 N -8.16 2.68 -0.15 0.00 -0.71 -1.26 -1.82 117.98 108.57 3mhc s PHE 66 Ca 0.00 -0.41 -0.03 0.00 -1.04 0.00 0.00 56.93 55.45 3mhc s PHE 66 Cb 0.00 -1.68 -0.02 0.00 -1.21 0.00 0.00 43.02 40.10 3mhc s PHE 66 CO 0.00 -0.01 -0.06 -0.80 -1.34 0.00 0.00 175.22 173.01 3mhc s ASN 67 N -0.31 4.61 -0.33 1.98 0.02 0.17 -4.22 114.94 116.86 3mhc s ASN 67 Ca 0.02 -0.17 -0.15 0.00 -1.02 0.00 0.00 52.86 51.54 3mhc s ASN 67 Cb -0.13 -1.72 -0.02 0.00 0.02 0.00 0.00 41.25 39.40 3mhc s ASN 67 CO 0.03 0.18 0.38 -0.69 0.02 0.00 0.00 177.10 177.01 3mhc s VAL 68 N 0.31 5.15 0.10 1.60 1.01 -0.23 -0.68 120.40 127.66 3mhc s VAL 68 Ca -0.05 0.20 -0.04 0.00 0.00 0.00 0.00 61.98 62.09 3mhc s VAL 68 Cb -0.14 -3.81 -0.05 0.00 0.00 0.00 0.00 36.38 32.38 3mhc s VAL 68 CO 0.04 -0.05 0.32 -1.61 0.00 0.00 0.00 175.10 173.80 3mhc s GLU 69 N 2.08 3.57 0.21 2.72 2.02 0.11 -1.42 118.70 127.98 3mhc s GLU 69 Ca 0.13 -0.16 0.09 0.00 0.02 0.00 0.00 54.97 55.05 3mhc s GLU 69 Cb -0.16 -2.93 -0.05 0.00 0.10 0.00 0.00 34.13 31.09 3mhc s GLU 69 CO 0.11 0.53 -0.18 -0.06 0.02 0.00 0.00 175.26 175.69 3mhc s PHE 70 N -1.57 1.91 -0.26 1.61 0.40 -0.01 -0.56 117.98 119.50 3mhc s PHE 70 Ca 0.38 -0.47 -0.29 0.00 -0.60 0.00 0.00 56.93 55.94 3mhc s PHE 70 Cb -0.13 -0.90 -0.01 0.00 0.51 0.00 0.00 43.02 42.50 3mhc s PHE 70 CO 0.24 0.43 1.32 0.34 0.70 0.00 0.00 175.22 178.26 3mhc s ASP 71 N -3.09 6.71 -0.22 1.36 2.15 0.10 -4.84 116.67 118.84 3mhc s ASP 71 Ca 0.22 1.36 0.11 0.00 0.43 0.00 0.00 52.55 54.67 3mhc s ASP 71 Cb -0.04 -2.54 0.43 0.00 -0.30 0.00 0.00 42.92 40.47 3mhc s ASP 71 CO 0.09 -1.02 1.26 -0.90 -0.17 0.00 0.00 175.17 174.43 3mhc n ASP 72 N 7.47 1.94 -0.50 -0.34 5.75 -1.26 -4.61 116.55 125.01 3mhc n ASP 72 Ca 0.15 -3.80 0.14 0.00 -0.01 0.00 0.00 54.79 51.27 3mhc n ASP 72 Cb 0.46 -0.54 0.44 0.00 -1.03 0.00 0.00 41.12 40.45 3mhc n ASP 72 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 3mhc n SER 73 N -1.14 1.60 -4.07 -1.12 3.41 -1.26 -4.89 113.62 106.15 3mhc n SER 73 Ca 0.21 -1.46 -0.10 0.00 -0.26 0.00 0.00 58.87 57.26 3mhc n SER 73 Cb 0.75 0.03 -0.08 0.00 -0.26 0.00 0.00 64.21 64.66 3mhc n SER 73 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3mhc s GLN 74 N -2.09 1.31 -1.28 4.33 -0.21 -1.26 -5.07 119.66 115.39 3mhc s GLN 74 Ca 0.34 -1.38 -0.18 0.00 0.02 0.00 0.00 55.36 54.16 3mhc s GLN 74 Cb 0.21 0.37 0.03 0.00 1.00 0.00 0.00 33.01 34.61 3mhc s GLN 74 CO 0.37 -0.49 1.86 -0.25 -2.12 0.00 0.00 175.29 174.66 3mhc n ASP 75 N -0.29 4.32 -0.12 5.90 8.00 -1.26 -4.63 116.55 128.45 3mhc n ASP 75 Ca -0.02 -2.86 -0.18 0.00 0.71 0.00 0.00 54.79 52.45 3mhc n ASP 75 Cb 0.64 -1.70 -0.12 0.00 -0.02 0.00 0.00 41.12 39.91 3mhc n ASP 75 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3mhc n LYS 76 N 7.94 0.66 -3.76 -1.24 5.02 -1.26 -4.87 118.16 120.64 3mhc n LYS 76 Ca 0.49 0.14 -0.27 0.00 -2.02 0.00 0.00 58.31 56.65 3mhc n LYS 76 Cb 0.45 -1.53 -0.17 0.00 -0.02 0.00 0.00 35.03 33.76 3mhc n LYS 76 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3mhc s ALA 77 N -2.52 1.04 0.10 7.82 0.00 -1.26 -3.31 121.76 123.64 3mhc s ALA 77 Ca -0.33 -0.66 0.05 0.00 0.00 0.00 0.00 51.96 51.01 3mhc s ALA 77 Cb 0.09 -1.13 -0.03 0.00 0.00 0.00 0.00 23.12 22.04 3mhc s ALA 77 CO 0.62 -1.05 -0.12 0.14 0.00 0.00 0.00 175.76 175.35 3mhc s VAL 78 N 1.83 1.08 -0.08 0.00 -7.23 -0.46 -1.20 120.40 114.34 3mhc s VAL 78 Ca -0.00 -1.56 0.02 0.00 -1.81 0.00 0.00 61.98 58.63 3mhc s VAL 78 Cb -0.16 -1.31 -0.02 0.00 0.56 0.00 0.00 36.38 35.45 3mhc s VAL 78 CO -0.07 -0.43 -0.14 -0.22 -0.31 0.00 0.00 175.10 173.93 3mhc s LEU 79 N -2.24 2.71 0.00 1.32 2.96 0.27 -1.08 118.68 122.63 3mhc s LEU 79 Ca 0.04 -0.25 -0.07 0.00 -0.22 0.00 0.00 54.13 53.63 3mhc s LEU 79 Cb -0.05 -1.57 0.03 0.00 0.50 0.00 0.00 46.19 45.09 3mhc s LEU 79 CO 0.01 0.27 0.55 2.29 -1.32 0.00 0.00 176.35 178.16 3mhc n LYS 80 N 2.79 0.79 0.00 1.98 2.85 -0.47 -1.56 118.16 124.53 3mhc n LYS 80 Ca -0.18 -2.26 0.00 0.00 -1.05 0.00 0.00 58.31 54.82 3mhc n LYS 80 Cb 0.52 2.42 0.00 0.00 -0.65 0.00 0.00 35.03 37.32 3mhc n LYS 80 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3mhc n GLY 81 N -0.50 -0.26 7.00 2.58 0.00 -1.26 -0.08 105.19 112.68 3mhc n GLY 81 Ca -0.03 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 44.95 3mhc n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mhc n GLY 82 N 0.00 3.06 0.10 -0.02 0.00 -0.83 -1.00 105.19 106.51 3mhc n GLY 82 Ca 0.00 -0.17 0.15 0.00 0.00 0.00 0.00 46.02 46.00 3mhc n GLY 82 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3mhc n PRO 83 N 14.00 1.07 -3.31 1.61 -0.04 -1.26 -3.51 135.00 143.56 3mhc n PRO 83 Ca 0.00 -0.21 -0.37 0.00 -0.04 0.00 0.00 63.50 62.88 3mhc n PRO 83 Cb 0.00 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 31.91 3mhc n PRO 83 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3mhc s LEU 84 N -2.07 4.42 -0.17 1.53 1.43 -0.17 -5.07 118.68 118.58 3mhc s LEU 84 Ca 0.43 1.17 -0.06 0.00 -1.03 0.00 0.00 54.13 54.64 3mhc s LEU 84 Cb 0.22 -3.12 -0.04 0.00 0.03 0.00 0.00 46.19 43.28 3mhc s LEU 84 CO 0.38 0.17 0.03 -1.81 0.23 0.00 0.00 176.35 175.34 3mhc s ASP 85 N -1.45 5.31 0.00 2.29 1.01 -1.26 -4.11 116.67 118.45 3mhc s ASP 85 Ca 0.34 -0.00 0.00 0.00 0.71 0.00 0.00 52.55 53.60 3mhc s ASP 85 Cb -0.17 -1.90 0.00 0.00 1.01 0.00 0.00 42.92 41.87 3mhc s ASP 85 CO 0.19 0.17 0.00 0.61 0.21 0.00 0.00 175.17 176.35 3mhc n GLY 86 N 3.57 -1.83 3.33 0.21 0.00 -1.26 -4.95 105.19 104.26 3mhc n GLY 86 Ca -0.17 -1.68 -0.32 0.00 0.00 0.00 0.00 46.02 43.85 3mhc n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3mhc s THR 87 N 0.00 2.68 -0.13 2.61 2.01 -1.26 -4.54 115.64 117.00 3mhc s THR 87 Ca 0.00 -0.81 0.01 0.00 0.31 0.00 0.00 61.69 61.20 3mhc s THR 87 Cb 0.00 -2.08 -0.01 0.00 0.01 0.00 0.00 72.50 70.43 3mhc s THR 87 CO 0.00 0.55 -0.16 -0.31 -0.69 0.00 0.00 174.62 174.01 3mhc s TYR 88 N 0.16 2.75 -0.07 4.92 1.51 -0.60 -1.21 117.35 124.80 3mhc s TYR 88 Ca -0.10 -0.87 -0.17 0.00 -1.01 0.00 0.00 57.07 54.92 3mhc s TYR 88 Cb -0.16 -1.83 -0.05 0.00 -0.11 0.00 0.00 41.96 39.81 3mhc s TYR 88 CO 0.06 -0.35 0.44 1.03 -1.11 0.00 0.00 175.55 175.62 3mhc s ARG 89 N 0.52 4.19 0.06 -0.62 0.52 0.33 -0.56 118.95 123.37 3mhc s ARG 89 Ca -0.11 0.42 -0.31 0.00 -0.52 0.00 0.00 55.73 55.22 3mhc s ARG 89 Cb -0.16 -3.35 -0.08 0.00 0.52 0.00 0.00 34.95 31.88 3mhc s ARG 89 CO 0.04 0.37 1.66 -1.17 0.02 0.00 0.00 175.30 176.22 3mhc s LEU 90 N -0.07 4.36 -0.13 2.53 2.96 -0.34 -0.93 118.68 127.06 3mhc s LEU 90 Ca 0.24 2.46 0.01 0.00 -0.22 0.00 0.00 54.13 56.63 3mhc s LEU 90 Cb -0.16 -3.56 -0.09 0.00 0.50 0.00 0.00 46.19 42.89 3mhc s LEU 90 CO 0.11 -0.89 -0.12 0.00 -1.32 0.00 0.00 176.35 174.13 3mhc n ILE 91 N 4.81 0.75 -3.43 6.68 3.06 -0.30 -4.54 119.36 126.39 3mhc n ILE 91 Ca 0.16 -0.29 -0.11 0.00 -2.50 0.00 0.00 62.75 60.01 3mhc n ILE 91 Cb 0.41 -0.98 -0.02 0.00 0.54 0.00 0.00 39.64 39.58 3mhc n ILE 91 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3mhc s GLN 92 N -2.26 1.21 0.16 9.51 1.03 -1.22 -0.83 119.66 127.27 3mhc s GLN 92 Ca -0.18 -0.44 0.07 0.00 0.04 0.00 0.00 55.36 54.85 3mhc s GLN 92 Cb 0.05 0.56 -0.04 0.00 0.03 0.00 0.00 33.01 33.60 3mhc s GLN 92 CO 0.30 -0.53 -0.15 -0.59 -2.54 0.00 0.00 175.29 171.78 3mhc s PHE 93 N -3.64 1.63 0.35 9.60 -0.12 -0.51 -0.69 117.98 124.60 3mhc s PHE 93 Ca 0.02 -0.54 -0.12 0.00 -0.05 0.00 0.00 56.93 56.24 3mhc s PHE 93 Cb -0.01 -0.81 0.03 0.00 -0.63 0.00 0.00 43.02 41.60 3mhc s PHE 93 CO -0.12 0.27 0.65 -3.38 -0.05 0.00 0.00 175.22 172.59 3mhc s HIS 94 N -2.43 0.43 0.22 3.49 -3.43 -0.63 -1.07 115.29 111.88 3mhc s HIS 94 Ca 0.16 -0.91 0.06 0.00 -0.80 0.00 0.00 55.06 53.57 3mhc s HIS 94 Cb -0.03 0.47 -0.05 0.00 -1.43 0.00 0.00 32.58 31.53 3mhc s HIS 94 CO 0.05 -1.35 -0.09 -0.06 -2.00 0.00 0.00 174.74 171.29 3mhc s PHE 95 N -2.84 1.69 -0.03 0.38 0.40 -1.26 -0.51 117.98 115.83 3mhc s PHE 95 Ca 0.21 -0.69 0.06 0.00 -0.60 0.00 0.00 56.93 55.90 3mhc s PHE 95 Cb -0.03 -0.88 -0.01 0.00 0.51 0.00 0.00 43.02 42.60 3mhc s PHE 95 CO 0.14 0.24 -0.19 -1.01 0.70 0.00 0.00 175.22 175.09 3mhc s HIS 96 N -3.10 1.79 0.23 0.36 3.76 -0.32 -4.74 115.29 113.28 3mhc s HIS 96 Ca 0.25 -0.40 -0.10 0.00 -0.15 0.00 0.00 55.06 54.66 3mhc s HIS 96 Cb 0.02 -1.17 -0.01 0.00 1.11 0.00 0.00 32.58 32.53 3mhc s HIS 96 CO 0.08 -0.08 0.39 1.67 -0.85 0.00 0.00 174.74 175.95 3mhc s TRP 97 N -0.31 0.55 0.55 1.40 -2.14 -1.20 -0.95 118.94 116.83 3mhc s TRP 97 Ca 0.04 -0.88 0.07 0.00 2.66 0.00 0.00 56.10 57.99 3mhc s TRP 97 Cb -0.09 0.00 0.07 0.00 -3.10 0.00 0.00 33.47 30.35 3mhc s TRP 97 CO 0.00 -0.90 0.56 0.41 -2.66 0.00 0.00 176.95 174.37 3mhc n GLY 98 N -0.35 2.41 0.01 3.67 0.00 -1.11 -1.12 105.19 108.70 3mhc n GLY 98 Ca -0.01 -2.27 0.12 0.00 0.00 0.00 0.00 46.02 43.87 3mhc n GLY 98 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3mhc n SER 99 N -2.06 0.43 -3.94 1.61 3.41 -1.26 -4.23 113.62 107.59 3mhc n SER 99 Ca 0.06 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.58 3mhc n SER 99 Cb 0.60 0.04 -0.10 0.00 -0.26 0.00 0.00 64.21 64.49 3mhc n SER 99 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3mhc s LEU 100 N -3.25 1.90 0.55 1.04 1.43 -1.26 -5.05 118.68 114.04 3mhc s LEU 100 Ca 0.11 -0.48 0.28 0.00 -1.03 0.00 0.00 54.13 53.01 3mhc s LEU 100 Cb 0.17 0.46 1.61 0.00 0.03 0.00 0.00 46.19 48.46 3mhc s LEU 100 CO 0.66 -0.43 2.15 0.44 0.23 0.00 0.00 176.35 179.41 3mhc h ASP 101 N 4.02 0.00 0.00 2.29 3.32 -1.92 -2.56 116.42 121.58 3mhc h ASP 101 Ca -0.32 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.73 3mhc h ASP 101 Cb 1.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.74 3mhc h ASP 101 CO 0.47 0.07 0.00 0.61 -1.72 0.00 0.00 179.24 178.66 3mhc n GLY 102 N -0.99 -0.81 3.46 2.75 0.00 -1.26 -3.38 105.19 104.96 3mhc n GLY 102 Ca -0.02 -0.16 -0.09 0.00 0.00 0.00 0.00 46.02 45.74 3mhc n GLY 102 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3mhc s GLN 103 N -2.00 1.32 0.00 1.61 -2.07 -0.96 -4.66 119.66 112.89 3mhc s GLN 103 Ca 0.38 -1.03 0.00 0.00 -1.82 0.00 0.00 55.36 52.89 3mhc s GLN 103 Cb 0.17 0.46 0.00 0.00 -1.09 0.00 0.00 33.01 32.55 3mhc s GLN 103 CO 0.29 -0.53 0.00 0.41 -1.32 0.00 0.00 175.29 174.14 3mhc n GLY 104 N -0.30 1.56 3.81 2.60 0.00 -1.04 -3.14 105.19 108.68 3mhc n GLY 104 Ca -0.08 -0.04 -0.32 0.00 0.00 0.00 0.00 46.02 45.58 3mhc n GLY 104 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3mhc s SER 105 N 0.00 5.67 -0.16 1.61 1.04 -0.53 -3.28 113.70 118.06 3mhc s SER 105 Ca 0.00 1.76 -0.12 0.00 0.48 0.00 0.00 55.95 58.07 3mhc s SER 105 Cb 0.00 -2.52 -0.06 0.00 0.10 0.00 0.00 66.02 63.54 3mhc s SER 105 CO 0.00 -1.24 -0.14 -0.62 0.98 0.00 0.00 173.24 172.22 3mhc n GLU 106 N -2.32 0.48 -2.07 4.02 1.02 -1.26 -4.84 120.64 115.66 3mhc n GLU 106 Ca 0.08 0.50 -0.35 0.00 -0.02 0.00 0.00 57.16 57.37 3mhc n GLU 106 Cb 0.53 -1.67 0.02 0.00 -0.02 0.00 0.00 31.44 30.30 3mhc n GLU 106 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 3mhc s HIS 107 N -2.34 2.59 0.22 -0.32 3.76 -1.26 -4.20 115.29 113.74 3mhc s HIS 107 Ca -0.19 1.54 0.09 0.00 -0.15 0.00 0.00 55.06 56.35 3mhc s HIS 107 Cb 0.03 -3.30 -0.05 0.00 1.11 0.00 0.00 32.58 30.38 3mhc s HIS 107 CO 0.30 -1.74 -0.16 0.95 -0.85 0.00 0.00 174.74 173.24 3mhc s THR 108 N -1.89 1.90 -0.21 1.30 -4.23 -1.15 -4.69 115.64 106.67 3mhc s THR 108 Ca 0.72 -2.22 0.02 0.00 -1.18 0.00 0.00 61.69 59.02 3mhc s THR 108 Cb -0.24 -2.08 0.04 0.00 1.34 0.00 0.00 72.50 71.56 3mhc s THR 108 CO 0.32 -0.53 -0.13 -0.69 -0.54 0.00 0.00 174.62 173.05 3mhc s VAL 109 N -2.78 1.91 -1.58 2.29 1.01 -0.56 -0.18 120.40 120.52 3mhc s VAL 109 Ca 0.23 -1.17 -0.10 0.00 0.00 0.00 0.00 61.98 60.94 3mhc s VAL 109 Cb -0.02 -1.92 0.09 0.00 0.00 0.00 0.00 36.38 34.52 3mhc s VAL 109 CO 0.08 0.22 0.59 0.47 0.00 0.00 0.00 175.10 176.46 3mhc n ASP 110 N 4.59 -1.88 0.00 3.32 8.00 0.41 -0.57 116.55 130.43 3mhc n ASP 110 Ca -0.16 -1.02 0.00 0.00 0.71 0.00 0.00 54.79 54.31 3mhc n ASP 110 Cb 0.46 -2.81 0.00 0.00 -0.02 0.00 0.00 41.12 38.75 3mhc n ASP 110 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3mhc n LYS 111 N -4.41 0.00 -2.35 -1.24 4.76 -1.26 -4.99 118.16 108.67 3mhc n LYS 111 Ca -0.10 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 54.92 3mhc n LYS 111 Cb 0.58 -2.75 -0.03 0.00 -1.84 0.00 0.00 35.03 30.99 3mhc n LYS 111 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 3mhc s LYS 112 N -0.18 4.36 -0.09 1.97 2.20 0.27 -4.99 119.74 123.29 3mhc s LYS 112 Ca 0.00 1.84 -0.14 0.00 -0.36 0.00 0.00 55.97 57.31 3mhc s LYS 112 Cb 0.00 -3.43 -0.05 0.00 -1.51 0.00 0.00 37.83 32.84 3mhc s LYS 112 CO 0.00 -0.40 0.34 0.15 -0.36 0.00 0.00 175.35 175.09 3mhc s LYS 113 N 1.61 4.04 0.54 4.03 1.02 -1.26 -1.50 119.74 128.22 3mhc s LYS 113 Ca 0.60 0.24 0.01 0.00 0.02 0.00 0.00 55.97 56.84 3mhc s LYS 113 Cb -0.30 -3.32 0.03 0.00 -0.52 0.00 0.00 37.83 33.72 3mhc s LYS 113 CO 0.27 0.47 0.77 0.71 -0.92 0.00 0.00 175.35 176.65 3mhc s TYR 114 N -0.29 2.90 0.21 3.18 2.02 -1.26 -4.65 117.35 119.46 3mhc s TYR 114 Ca 0.20 0.02 0.23 0.00 -0.37 0.00 0.00 57.07 57.15 3mhc s TYR 114 Cb -0.15 -2.71 0.96 0.00 -0.40 0.00 0.00 41.96 39.67 3mhc s TYR 114 CO 0.08 -0.83 1.85 0.00 -1.57 0.00 0.00 175.55 175.09 3mhc h ALA 115 N 0.10 1.08 -2.52 3.71 0.00 -1.33 -1.33 119.26 118.97 3mhc h ALA 115 Ca -0.42 -0.22 0.14 0.00 0.00 0.00 0.00 54.91 54.41 3mhc h ALA 115 Cb 1.29 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.99 3mhc h ALA 115 CO 0.53 0.31 0.48 0.00 0.00 0.00 0.00 179.25 180.57 3mhc s ALA 116 N -3.77 -1.50 -0.12 0.00 0.00 -1.13 -2.76 121.76 112.47 3mhc s ALA 116 Ca -0.00 -0.17 -0.06 0.00 0.00 0.00 0.00 51.96 51.73 3mhc s ALA 116 Cb 0.11 0.70 0.05 0.00 0.00 0.00 0.00 23.12 23.98 3mhc s ALA 116 CO 0.64 -1.05 0.27 -2.00 0.00 0.00 0.00 175.76 173.63 3mhc s GLU 117 N -2.80 0.23 -0.08 0.00 2.12 -0.13 -1.12 118.70 116.93 3mhc s GLU 117 Ca 0.16 0.59 -0.14 0.00 0.36 0.00 0.00 54.97 55.94 3mhc s GLU 117 Cb -0.02 -0.10 -0.05 0.00 0.26 0.00 0.00 34.13 34.22 3mhc s GLU 117 CO 0.05 -0.17 0.36 -1.17 -0.54 0.00 0.00 175.26 173.79 3mhc s LEU 118 N 1.39 4.36 -0.21 2.70 2.96 0.34 -1.17 118.68 129.05 3mhc s LEU 118 Ca -0.08 0.76 0.02 0.00 -0.22 0.00 0.00 54.13 54.60 3mhc s LEU 118 Cb -0.10 -2.50 0.03 0.00 0.50 0.00 0.00 46.19 44.12 3mhc s LEU 118 CO -0.09 0.20 -0.17 -1.00 -1.32 0.00 0.00 176.35 173.97 3mhc s HIS 119 N -0.29 2.95 -0.37 5.38 3.76 0.34 -1.08 115.29 125.98 3mhc s HIS 119 Ca 0.21 -1.87 -0.15 0.00 -0.15 0.00 0.00 55.06 53.10 3mhc s HIS 119 Cb -0.15 -1.93 -0.00 0.00 1.11 0.00 0.00 32.58 31.61 3mhc s HIS 119 CO 0.09 -0.83 0.31 -0.51 -0.85 0.00 0.00 174.74 172.95 3mhc s LEU 120 N 1.23 4.69 -0.21 0.89 1.43 -0.32 -1.60 118.68 124.79 3mhc s LEU 120 Ca 0.00 -0.53 -0.12 0.00 -1.03 0.00 0.00 54.13 52.46 3mhc s LEU 120 Cb -0.15 -2.23 -0.05 0.00 0.03 0.00 0.00 46.19 43.79 3mhc s LEU 120 CO -0.10 -0.36 0.23 -0.69 0.23 0.00 0.00 176.35 175.66 3mhc s VAL 121 N 1.84 5.32 0.08 -1.59 1.01 0.13 -1.06 120.40 126.14 3mhc s VAL 121 Ca 0.08 0.38 0.07 0.00 0.00 0.00 0.00 61.98 62.50 3mhc s VAL 121 Cb -0.18 -3.57 -0.03 0.00 0.00 0.00 0.00 36.38 32.60 3mhc s VAL 121 CO 0.11 0.35 -0.18 -1.00 0.00 0.00 0.00 175.10 174.38 3mhc s HIS 122 N 0.86 1.56 0.11 5.22 3.76 -0.06 -1.15 115.29 125.58 3mhc s HIS 122 Ca 0.12 -0.42 0.10 0.00 -0.15 0.00 0.00 55.06 54.71 3mhc s HIS 122 Cb -0.13 -0.87 -0.04 0.00 1.11 0.00 0.00 32.58 32.65 3mhc s HIS 122 CO 0.04 0.13 -0.25 1.67 -0.85 0.00 0.00 174.74 175.48 3mhc s TRP 123 N -1.14 2.15 -0.25 1.40 1.48 -0.11 -0.89 118.94 121.58 3mhc s TRP 123 Ca 0.03 -0.39 -0.29 0.00 -1.06 0.00 0.00 56.10 54.39 3mhc s TRP 123 Cb -0.10 -1.19 -0.02 0.00 -1.16 0.00 0.00 33.47 31.00 3mhc s TRP 123 CO 0.03 0.26 1.58 1.21 -4.06 0.00 0.00 176.95 175.97 3mhc s ASN 124 N -1.86 6.37 0.33 -2.66 3.84 0.61 -0.52 114.94 121.05 3mhc s ASN 124 Ca 0.11 1.49 0.25 0.00 0.21 0.00 0.00 52.86 54.92 3mhc s ASN 124 Cb -0.10 -2.53 1.17 0.00 -0.55 0.00 0.00 41.25 39.23 3mhc s ASN 124 CO 0.05 -1.28 1.74 0.71 -2.79 0.00 0.00 177.10 175.53 3mhc h THR 125 N 6.20 0.00 0.00 -5.21 1.35 -1.50 -1.48 112.91 112.26 3mhc h THR 125 Ca -0.32 -0.14 0.00 0.00 -0.55 0.00 0.00 66.41 65.40 3mhc h THR 125 Cb 1.14 0.80 0.00 0.00 -1.73 0.00 0.00 68.15 68.36 3mhc h THR 125 CO 1.01 0.00 0.00 2.29 -0.25 0.00 0.00 175.52 178.57 3mhc n LYS 127 N -2.35 0.13 -0.12 4.72 2.85 -1.26 -2.26 118.16 119.88 3mhc n LYS 127 Ca 0.00 0.40 0.12 0.00 -1.05 0.00 0.00 58.31 57.78 3mhc n LYS 127 Cb 0.14 -1.76 0.19 0.00 -0.65 0.00 0.00 35.03 32.95 3mhc n LYS 127 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 3mhc n TYR 128 N -2.01 0.31 0.00 5.58 4.01 -0.56 -4.99 117.16 119.50 3mhc n TYR 128 Ca 0.02 -0.15 0.00 0.00 -0.16 0.00 0.00 57.90 57.61 3mhc n TYR 128 Cb 0.19 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.22 3mhc n TYR 128 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3mhc n GLY 129 N 1.43 1.23 3.51 2.72 0.00 -0.96 -4.48 105.19 108.64 3mhc n GLY 129 Ca 0.17 -0.05 -0.09 0.00 0.00 0.00 0.00 46.02 46.05 3mhc n GLY 129 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3mhc s ASP 130 N 0.00 -0.21 0.28 1.61 1.47 -1.26 -5.05 116.67 113.50 3mhc s ASP 130 Ca 0.00 -0.56 -0.03 0.00 1.18 0.00 0.00 52.55 53.15 3mhc s ASP 130 Cb 0.00 0.56 0.38 0.00 -0.34 0.00 0.00 42.92 43.52 3mhc s ASP 130 CO 0.00 -1.04 1.88 0.15 0.68 0.00 0.00 175.17 176.84 3mhc h PHE 131 N 2.24 0.99 -0.94 2.11 3.57 -1.94 -1.07 116.94 121.90 3mhc h PHE 131 Ca -0.29 -0.04 0.01 0.00 3.53 0.00 0.00 57.97 61.19 3mhc h PHE 131 Cb 1.26 -0.31 -0.05 0.00 2.79 0.00 0.00 35.95 39.64 3mhc h PHE 131 CO 0.36 0.72 0.62 0.78 -2.23 0.00 0.00 178.31 178.57 3mhc h GLY 132 N 1.05 1.33 1.08 2.40 0.00 -1.97 -1.85 103.07 105.12 3mhc h GLY 132 Ca 0.24 -0.49 -0.20 0.00 0.00 0.00 0.00 47.33 46.88 3mhc h GLY 132 CO -0.03 0.47 -0.71 0.50 0.00 0.00 0.00 176.54 176.76 3mhc h LYS 133 N 1.26 0.70 -0.77 4.80 1.79 -1.71 -3.33 116.57 119.30 3mhc h LYS 133 Ca 0.35 -0.59 0.07 0.00 -2.18 0.00 0.00 60.65 58.30 3mhc h LYS 133 Cb -0.12 0.13 -0.06 0.00 -1.58 0.00 0.00 32.23 30.60 3mhc h LYS 133 CO -0.08 1.20 0.45 0.00 -1.08 0.00 0.00 179.45 179.94 3mhc h ALA 134 N 0.51 1.06 0.00 3.86 0.00 -0.74 -1.86 119.26 122.09 3mhc h ALA 134 Ca -0.05 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3mhc h ALA 134 Cb 1.35 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3mhc h ALA 134 CO 0.15 0.14 0.00 1.33 0.00 0.00 0.00 179.25 180.87 3mhc n VAL 135 N -4.72 1.01 1.39 0.00 0.24 -0.74 -1.14 118.33 114.37 3mhc n VAL 135 Ca 0.11 0.43 0.11 0.00 -2.04 0.00 0.00 64.34 62.95 3mhc n VAL 135 Cb 0.20 -1.37 0.44 0.00 -1.47 0.00 0.00 33.84 31.63 3mhc n VAL 135 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3mhc n GLN 136 N -2.12 1.61 -4.66 7.34 1.13 -0.70 -4.65 117.38 115.32 3mhc n GLN 136 Ca 0.01 -0.91 -0.31 0.00 -1.94 0.00 0.00 57.00 53.86 3mhc n GLN 136 Cb 0.14 -1.40 -0.13 0.00 0.11 0.00 0.00 30.24 28.96 3mhc n GLN 136 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 3mhc s GLN 137 N -1.85 2.00 0.51 -1.09 -1.52 -0.30 -5.03 119.66 112.38 3mhc s GLN 137 Ca 0.33 -1.02 0.26 0.00 -1.95 0.00 0.00 55.36 52.98 3mhc s GLN 137 Cb 0.17 -2.15 1.39 0.00 -0.22 0.00 0.00 33.01 32.21 3mhc s GLN 137 CO 0.27 0.53 2.05 -1.00 -0.25 0.00 0.00 175.29 176.89 3mhc h PRO 138 N 4.50 0.00 -0.60 2.91 0.13 -1.85 -2.40 132.00 134.68 3mhc h PRO 138 Ca -0.48 0.00 -0.42 0.00 -0.87 0.00 0.00 66.00 64.23 3mhc h PRO 138 Cb 1.15 0.00 -0.29 0.00 0.13 0.00 0.00 31.00 31.99 3mhc h PRO 138 CO 0.47 0.13 -0.41 -0.40 -0.23 0.00 0.00 178.00 177.55 3mhc n ASP 139 N -3.66 4.38 0.12 1.44 5.75 -1.26 -4.13 116.55 119.19 3mhc n ASP 139 Ca -0.02 -3.79 -0.23 0.00 -0.01 0.00 0.00 54.79 50.75 3mhc n ASP 139 Cb 0.25 -0.51 -0.14 0.00 -1.03 0.00 0.00 41.12 39.69 3mhc n ASP 139 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 3mhc h GLY 140 N 1.77 0.61 -3.16 6.12 0.00 -1.15 -3.43 103.07 103.84 3mhc h GLY 140 Ca 0.32 -1.44 -0.64 0.00 0.00 0.00 0.00 47.33 45.57 3mhc h GLY 140 CO 0.70 1.26 -0.79 1.08 0.00 0.00 0.00 176.54 178.79 3mhc s LEU 141 N -7.65 2.60 -0.11 3.11 1.43 0.45 -0.28 118.68 118.23 3mhc s LEU 141 Ca -0.08 -0.80 0.00 0.00 -1.03 0.00 0.00 54.13 52.22 3mhc s LEU 141 Cb 0.05 -1.30 0.02 0.00 0.03 0.00 0.00 46.19 44.99 3mhc s LEU 141 CO 0.93 0.11 -0.10 0.00 0.23 0.00 0.00 176.35 177.52 3mhc s ALA 142 N -1.77 1.47 -0.17 4.21 0.00 -0.07 -0.99 121.76 124.43 3mhc s ALA 142 Ca 0.23 -0.62 -0.02 0.00 0.00 0.00 0.00 51.96 51.55 3mhc s ALA 142 Cb -0.08 -0.89 -0.01 0.00 0.00 0.00 0.00 23.12 22.14 3mhc s ALA 142 CO 0.12 -0.30 -0.09 0.08 0.00 0.00 0.00 175.76 175.57 3mhc s VAL 143 N 1.44 3.24 -0.33 0.00 1.01 -0.97 -0.88 120.40 123.91 3mhc s VAL 143 Ca 0.01 -0.57 -0.19 0.00 0.00 0.00 0.00 61.98 61.23 3mhc s VAL 143 Cb -0.13 -2.42 -0.01 0.00 0.00 0.00 0.00 36.38 33.83 3mhc s VAL 143 CO -0.06 0.48 0.58 -0.22 0.00 0.00 0.00 175.10 175.87 3mhc s LEU 144 N 0.86 4.24 -0.15 3.92 2.96 -0.22 -1.52 118.68 128.77 3mhc s LEU 144 Ca -0.02 0.17 -0.06 0.00 -0.22 0.00 0.00 54.13 54.00 3mhc s LEU 144 Cb -0.15 -2.70 -0.04 0.00 0.50 0.00 0.00 46.19 43.80 3mhc s LEU 144 CO 0.01 -0.50 0.06 -0.83 -1.32 0.00 0.00 176.35 173.77 3mhc s GLY 145 N 1.73 1.93 -0.06 7.98 0.00 0.29 -1.18 107.32 118.01 3mhc s GLY 145 Ca 0.22 -0.74 -0.00 0.00 0.00 0.00 0.00 44.72 44.19 3mhc s GLY 145 CO 0.13 -0.18 -0.02 -0.42 0.00 0.00 0.00 173.10 172.62 3mhc s ILE 146 N -0.18 0.44 0.43 0.90 1.01 -0.24 -0.99 121.20 122.57 3mhc s ILE 146 Ca 0.07 0.02 -0.22 0.00 0.00 0.00 0.00 60.65 60.53 3mhc s ILE 146 Cb -0.12 -0.55 -0.10 0.00 0.01 0.00 0.00 42.46 41.70 3mhc s ILE 146 CO 0.01 0.25 1.00 -0.36 0.00 0.00 0.00 174.94 175.84 3mhc s PHE 147 N 1.57 3.26 -0.12 3.97 0.08 -1.26 -0.51 117.98 124.97 3mhc s PHE 147 Ca -0.01 1.63 0.02 0.00 0.12 0.00 0.00 56.93 58.69 3mhc s PHE 147 Cb -0.13 -2.98 -0.01 0.00 -0.57 0.00 0.00 43.02 39.33 3mhc s PHE 147 CO -0.04 -0.39 -0.17 -0.51 -0.10 0.00 0.00 175.22 174.01 3mhc s LEU 148 N -3.01 2.47 0.22 -0.37 1.02 -0.27 -0.93 118.68 117.81 3mhc s LEU 148 Ca 0.61 -0.42 0.09 0.00 0.02 0.00 0.00 54.13 54.44 3mhc s LEU 148 Cb -0.15 -1.53 -0.04 0.00 0.02 0.00 0.00 46.19 44.48 3mhc s LEU 148 CO 0.19 0.17 -0.07 -1.59 0.02 0.00 0.00 176.35 175.07 3mhc s LYS 149 N 0.33 2.12 -0.15 1.70 -2.85 -0.50 -1.68 119.74 118.71 3mhc s LYS 149 Ca -0.14 -1.36 -0.21 0.00 -1.00 0.00 0.00 55.97 53.26 3mhc s LYS 149 Cb -0.17 -2.13 -0.03 0.00 -2.06 0.00 0.00 37.83 33.44 3mhc s LYS 149 CO 0.07 0.40 0.63 0.08 0.10 0.00 0.00 175.35 176.63 3mhc s VAL 150 N -1.99 5.05 0.00 1.79 1.01 -1.26 -0.47 120.40 124.53 3mhc s VAL 150 Ca 0.28 1.23 0.00 0.00 0.00 0.00 0.00 61.98 63.48 3mhc s VAL 150 Cb -0.08 -3.95 0.00 0.00 0.00 0.00 0.00 36.38 32.35 3mhc s VAL 150 CO 0.17 0.18 0.00 0.61 0.00 0.00 0.00 175.10 176.06 3mhc n GLY 151 N 3.52 0.93 3.78 4.51 0.00 0.15 -4.88 105.19 113.21 3mhc n GLY 151 Ca -0.02 0.43 -0.33 0.00 0.00 0.00 0.00 46.02 46.09 3mhc n GLY 151 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3mhc s SER 152 N 2.00 5.46 0.56 1.61 0.01 -1.26 -4.08 113.70 118.00 3mhc s SER 152 Ca 0.00 1.97 -0.20 0.00 1.31 0.00 0.00 55.95 59.04 3mhc s SER 152 Cb 0.00 -2.55 -0.05 0.00 0.21 0.00 0.00 66.02 63.63 3mhc s SER 152 CO 0.00 -1.39 1.19 0.00 0.41 0.00 0.00 173.24 173.45 3mhc s ALA 153 N -2.26 2.64 -0.46 1.44 0.00 -1.26 -2.51 121.76 119.35 3mhc s ALA 153 Ca 0.67 0.98 -0.15 0.00 0.00 0.00 0.00 51.96 53.46 3mhc s ALA 153 Cb -0.20 -3.43 0.06 0.00 0.00 0.00 0.00 23.12 19.56 3mhc s ALA 153 CO 0.37 -1.03 0.37 0.21 0.00 0.00 0.00 175.76 175.68 3mhc s LYS 154 N -3.23 2.97 0.26 0.00 2.47 -1.20 -4.80 119.74 116.21 3mhc s LYS 154 Ca 0.75 -1.28 -0.02 0.00 -1.56 0.00 0.00 55.97 53.85 3mhc s LYS 154 Cb -0.29 -4.09 0.44 0.00 -1.46 0.00 0.00 37.83 32.42 3mhc s LYS 154 CO 0.32 -0.97 1.85 -1.35 0.16 0.00 0.00 175.35 175.37 3mhc h PRO 155 N 8.72 0.99 0.00 4.03 0.11 -1.91 -1.16 132.00 142.78 3mhc h PRO 155 Ca -0.28 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.77 3mhc h PRO 155 Cb 1.11 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 32.00 3mhc h PRO 155 CO 0.84 0.65 0.00 0.41 -0.21 0.00 0.00 178.00 179.70 3mhc n GLY 156 N -1.34 -1.16 0.08 -0.55 0.00 -1.26 -1.97 105.19 98.99 3mhc n GLY 156 Ca 0.16 0.02 0.12 0.00 0.00 0.00 0.00 46.02 46.32 3mhc n GLY 156 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3mhc h LEU 157 N 0.00 0.00 -1.40 0.99 5.85 -1.43 -3.40 115.31 115.92 3mhc h LEU 157 Ca 0.00 -0.15 -0.03 0.00 0.84 0.00 0.00 57.88 58.54 3mhc h LEU 157 Cb 0.32 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.33 3mhc h LEU 157 CO 0.00 0.08 0.10 -0.61 -0.34 0.00 0.00 178.44 177.67 3mhc h GLN 158 N 0.00 0.50 -0.27 1.25 5.75 -1.40 -1.32 115.11 119.62 3mhc h GLN 158 Ca 0.00 -0.07 -0.05 0.00 -0.15 0.00 0.00 58.65 58.38 3mhc h GLN 158 Cb 0.82 -0.09 -0.02 0.00 1.07 0.00 0.00 27.48 29.27 3mhc h GLN 158 CO 0.00 0.45 -0.04 0.87 -2.65 0.00 0.00 178.83 177.46 3mhc h LYS 159 N 0.49 0.43 -0.06 1.69 1.57 -1.78 -0.69 116.57 118.22 3mhc h LYS 159 Ca 0.12 -0.09 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 3mhc h LYS 159 Cb 0.17 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.41 3mhc h LYS 159 CO -0.01 0.49 -0.00 0.28 -0.57 0.00 0.00 179.45 179.64 3mhc h VAL 160 N 0.41 1.26 -0.92 0.50 2.07 -1.55 -3.06 116.25 114.96 3mhc h VAL 160 Ca 0.09 -0.82 0.05 0.00 0.82 0.00 0.00 66.70 66.84 3mhc h VAL 160 Cb 0.34 1.69 -0.06 0.00 -1.52 0.00 0.00 31.29 31.74 3mhc h VAL 160 CO 0.01 0.22 0.60 0.58 0.02 0.00 0.00 177.57 179.01 3mhc h VAL 161 N -0.20 1.12 0.00 2.57 2.07 -0.79 -2.55 116.25 118.46 3mhc h VAL 161 Ca 0.02 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 67.16 3mhc h VAL 161 Cb 0.36 -0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.03 3mhc h VAL 161 CO 0.00 0.20 0.00 0.44 0.02 0.00 0.00 177.57 178.24 3mhc h ASP 162 N 1.11 0.00 0.50 0.57 3.32 -1.11 -2.91 116.42 117.90 3mhc h ASP 162 Ca 0.38 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.43 3mhc h ASP 162 Cb 0.10 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.65 3mhc h ASP 162 CO -0.13 0.00 -0.44 0.55 -1.72 0.00 0.00 179.24 177.50 3mhc n VAL 163 N -2.89 0.00 0.25 -1.35 3.14 -0.97 -4.31 118.33 112.20 3mhc n VAL 163 Ca 0.03 -0.02 0.08 0.00 -2.96 0.00 0.00 64.34 61.48 3mhc n VAL 163 Cb 0.41 0.22 0.63 0.00 -1.06 0.00 0.00 33.84 34.04 3mhc n VAL 163 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 3mhc h LEU 164 N 0.14 0.00 -2.61 6.55 3.38 -1.47 -0.99 115.31 120.31 3mhc h LEU 164 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 3mhc h LEU 164 Cb 0.50 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.25 3mhc h LEU 164 CO 0.00 0.08 -0.01 0.44 0.09 0.00 0.00 178.44 179.04 3mhc h ASP 165 N 0.00 0.00 0.33 -0.43 3.32 -1.79 -2.05 116.42 115.79 3mhc h ASP 165 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3mhc h ASP 165 Cb 0.15 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.70 3mhc h ASP 165 CO 0.01 0.01 -0.57 -1.54 -1.72 0.00 0.00 179.24 175.43 3mhc n SER 166 N -3.57 0.77 -2.41 6.45 3.41 -0.38 -4.10 113.62 113.78 3mhc n SER 166 Ca -0.03 -0.58 -0.17 0.00 -0.26 0.00 0.00 58.87 57.83 3mhc n SER 166 Cb 0.09 0.40 0.02 0.00 -0.26 0.00 0.00 64.21 64.46 3mhc n SER 166 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 3mhc n ILE 167 N -1.29 1.99 -0.23 -1.33 -5.35 -0.78 -4.72 119.36 107.64 3mhc n ILE 167 Ca 0.06 -3.93 0.05 0.00 -0.27 0.00 0.00 62.75 58.66 3mhc n ILE 167 Cb 0.34 -0.36 0.30 0.00 -1.74 0.00 0.00 39.64 38.18 3mhc n ILE 167 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 3mhc h LYS 168 N 2.49 0.86 -6.38 6.28 3.64 -1.68 -3.42 116.57 118.35 3mhc h LYS 168 Ca 0.17 -0.05 -0.63 0.00 -1.27 0.00 0.00 60.65 58.87 3mhc h LYS 168 Cb 1.28 -0.19 -0.16 0.00 -0.41 0.00 0.00 32.23 32.74 3mhc h LYS 168 CO 0.61 0.57 -0.79 0.95 -2.27 0.00 0.00 179.45 178.53 3mhc s THR 169 N -5.78 2.44 0.06 1.00 -4.23 -1.26 -0.56 115.64 107.30 3mhc s THR 169 Ca -0.11 -2.24 -0.37 0.00 -1.18 0.00 0.00 61.69 57.80 3mhc s THR 169 Cb 0.19 -2.23 -0.16 0.00 1.34 0.00 0.00 72.50 71.64 3mhc s THR 169 CO 0.78 -0.28 1.43 1.17 -0.54 0.00 0.00 174.62 177.19 3mhc n LYS 170 N -0.24 1.33 0.00 3.99 4.81 0.04 -1.90 118.16 126.19 3mhc n LYS 170 Ca -0.08 0.48 0.00 0.00 -0.87 0.00 0.00 58.31 57.84 3mhc n LYS 170 Cb 0.58 -2.15 0.00 0.00 0.02 0.00 0.00 35.03 33.48 3mhc n LYS 170 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3mhc n GLY 171 N 2.88 2.14 3.74 3.14 0.00 0.36 -4.48 105.19 112.98 3mhc n GLY 171 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 3mhc n GLY 171 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mhc s LYS 172 N -0.87 4.61 0.16 1.61 1.02 -0.80 -4.88 119.74 120.58 3mhc s LYS 172 Ca 0.00 1.71 0.04 0.00 0.02 0.00 0.00 55.97 57.74 3mhc s LYS 172 Cb 0.00 -3.27 -0.04 0.00 -0.52 0.00 0.00 37.83 33.99 3mhc s LYS 172 CO 0.00 0.10 -0.09 -1.54 -0.92 0.00 0.00 175.35 172.90 3mhc s SER 173 N -0.20 1.81 -0.06 2.83 1.04 -1.26 -1.21 113.70 116.65 3mhc s SER 173 Ca 0.49 -1.03 -0.10 0.00 0.48 0.00 0.00 55.95 55.78 3mhc s SER 173 Cb -0.29 -0.01 0.02 0.00 0.10 0.00 0.00 66.02 65.84 3mhc s SER 173 CO 0.35 -0.34 0.25 0.00 0.98 0.00 0.00 173.24 174.48 3mhc s ALA 174 N -3.33 -0.62 0.22 5.32 0.00 -0.11 -4.93 121.76 118.32 3mhc s ALA 174 Ca 0.18 0.45 -0.32 0.00 0.00 0.00 0.00 51.96 52.27 3mhc s ALA 174 Cb 0.03 -0.19 -0.14 0.00 0.00 0.00 0.00 23.12 22.82 3mhc s ALA 174 CO 0.01 -0.18 1.40 -0.25 0.00 0.00 0.00 175.76 176.75 3mhc n ASP 175 N 2.19 2.64 -3.07 0.00 8.00 -1.26 -0.79 116.55 124.26 3mhc n ASP 175 Ca -0.17 1.14 -0.19 0.00 0.71 0.00 0.00 54.79 56.28 3mhc n ASP 175 Cb 0.57 -1.40 -0.04 0.00 -0.02 0.00 0.00 41.12 40.23 3mhc n ASP 175 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 3mhc n PHE 176 N 2.01 -1.48 -3.58 1.24 7.35 -0.38 -4.73 117.46 117.89 3mhc n PHE 176 Ca 0.12 -2.89 -0.23 0.00 -0.76 0.00 0.00 57.45 53.69 3mhc n PHE 176 Cb 0.30 0.37 -0.01 0.00 0.35 0.00 0.00 39.48 40.49 3mhc n PHE 176 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 3mhc s THR 177 N -0.36 5.16 -1.67 -2.13 -4.23 -1.26 -3.11 115.64 108.04 3mhc s THR 177 Ca 0.34 -0.63 0.00 0.00 -1.18 0.00 0.00 61.69 60.21 3mhc s THR 177 Cb 0.15 -3.86 0.00 0.00 1.34 0.00 0.00 72.50 70.14 3mhc s THR 177 CO -0.16 -0.48 0.00 0.59 -0.54 0.00 0.00 174.62 174.04 3mhc n ASN 178 N -1.64 -5.42 -4.74 3.99 4.13 -1.26 -4.97 115.26 105.36 3mhc n ASN 178 Ca -0.06 0.05 -0.39 0.00 1.68 0.00 0.00 54.58 55.86 3mhc n ASN 178 Cb 0.56 -4.48 -0.05 0.00 -1.54 0.00 0.00 39.78 34.27 3mhc n ASN 178 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 3mhc s PHE 179 N -2.91 3.65 -0.44 3.10 5.36 -1.26 -5.01 117.98 120.47 3mhc s PHE 179 Ca 0.00 1.27 -0.14 0.00 -0.96 0.00 0.00 56.93 57.11 3mhc s PHE 179 Cb 0.00 -2.73 0.06 0.00 -0.34 0.00 0.00 43.02 40.01 3mhc s PHE 179 CO 0.00 0.23 0.33 0.34 -1.46 0.00 0.00 175.22 174.66 3mhc s ASP 180 N 0.23 5.98 0.19 6.13 -1.08 -1.26 -4.45 116.67 122.42 3mhc s ASP 180 Ca 0.35 -1.26 0.20 0.00 -0.52 0.00 0.00 52.55 51.33 3mhc s ASP 180 Cb -0.18 -2.12 0.87 0.00 -1.46 0.00 0.00 42.92 40.03 3mhc s ASP 180 CO 0.19 -0.56 1.61 -0.81 0.52 0.00 0.00 175.17 176.12 3mhc n PRO 181 N 5.11 0.13 0.30 4.34 -0.04 -1.26 -2.17 135.00 141.40 3mhc n PRO 181 Ca -0.12 0.41 0.16 0.00 -0.04 0.00 0.00 63.50 63.91 3mhc n PRO 181 Cb 0.44 -1.77 0.91 0.00 -0.04 0.00 0.00 33.50 33.04 3mhc n PRO 181 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3mhc h ARG 182 N 0.00 0.00 0.00 0.54 3.08 -1.92 -1.40 114.38 114.67 3mhc h ARG 182 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3mhc h ARG 182 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.33 3mhc h ARG 182 CO 0.00 0.03 0.00 0.41 -1.07 0.00 0.00 179.97 179.34 3mhc n GLY 183 N -1.12 -0.84 0.62 0.04 0.00 -0.92 -2.58 105.19 100.38 3mhc n GLY 183 Ca -0.03 -0.11 0.09 0.00 0.00 0.00 0.00 46.02 45.97 3mhc n GLY 183 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3mhc n LEU 184 N -1.17 2.25 -4.82 0.99 4.77 -0.53 -4.09 117.00 114.39 3mhc n LEU 184 Ca 0.12 -0.91 -0.36 0.00 -0.03 0.00 0.00 56.01 54.83 3mhc n LEU 184 Cb 0.13 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.16 3mhc n LEU 184 CO 0.14 0.40 0.37 -0.76 -1.33 0.00 0.00 177.39 176.21 3mhc s LEU 185 N -1.76 4.34 1.03 2.23 1.43 -1.07 -4.91 118.68 119.96 3mhc s LEU 185 Ca 0.19 1.32 -0.16 0.00 -1.03 0.00 0.00 54.13 54.46 3mhc s LEU 185 Cb 0.15 -3.51 0.21 0.00 0.03 0.00 0.00 46.19 43.07 3mhc s LEU 185 CO 0.31 0.05 1.18 -2.16 0.23 0.00 0.00 176.35 175.95 3mhc s PRO 186 N -1.98 0.16 0.09 1.29 0.04 -1.26 -4.99 135.00 128.35 3mhc s PRO 186 Ca 0.42 -0.02 -0.17 0.00 0.04 0.00 0.00 61.00 61.27 3mhc s PRO 186 Cb -0.16 -1.75 -0.08 0.00 0.04 0.00 0.00 34.50 32.55 3mhc s PRO 186 CO 0.20 -2.80 1.49 1.49 0.04 0.00 0.00 177.00 177.42 3mhc h GLU 187 N -1.93 0.52 -6.17 4.56 4.81 -1.91 -3.44 114.58 111.02 3mhc h GLU 187 Ca -0.47 -0.20 -0.58 0.00 -0.13 0.00 0.00 59.36 57.98 3mhc h GLU 187 Cb 1.29 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 30.60 3mhc h GLU 187 CO 0.46 0.73 -0.19 0.45 -0.73 0.00 0.00 179.01 179.73 3mhc s SER 188 N -6.11 6.72 -0.17 1.04 0.15 -1.26 -4.99 113.70 109.07 3mhc s SER 188 Ca -0.13 0.90 0.16 0.00 0.70 0.00 0.00 55.95 57.58 3mhc s SER 188 Cb 0.08 -2.22 0.66 0.00 -1.71 0.00 0.00 66.02 62.83 3mhc s SER 188 CO 0.77 0.17 1.58 0.18 1.20 0.00 0.00 173.24 177.13 3mhc n LEU 189 N 0.97 4.69 -4.74 3.45 4.77 -1.26 -4.74 117.00 120.15 3mhc n LEU 189 Ca -0.08 -2.79 -0.42 0.00 -0.03 0.00 0.00 56.01 52.69 3mhc n LEU 189 Cb 0.52 -0.58 -0.01 0.00 -2.33 0.00 0.00 43.42 41.02 3mhc n LEU 189 CO 0.42 0.69 1.07 0.47 -1.33 0.00 0.00 177.39 178.71 3mhc n ASP 190 N 0.33 3.39 -3.91 -1.43 8.00 -1.26 -4.79 116.55 116.89 3mhc n ASP 190 Ca 0.24 1.20 -0.09 0.00 0.71 0.00 0.00 54.79 56.85 3mhc n ASP 190 Cb 0.97 -1.56 -0.08 0.00 -0.02 0.00 0.00 41.12 40.44 3mhc n ASP 190 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 3mhc s TYR 191 N -0.83 0.25 0.09 1.24 -0.85 -1.26 -1.18 117.35 114.81 3mhc s TYR 191 Ca 0.57 -0.68 0.03 0.00 -0.52 0.00 0.00 57.07 56.47 3mhc s TYR 191 Cb -0.52 -0.10 -0.04 0.00 0.38 0.00 0.00 41.96 41.67 3mhc s TYR 191 CO 0.60 -0.56 0.08 -1.58 -1.52 0.00 0.00 175.55 172.57 3mhc s TRP 192 N -3.89 3.17 -0.01 -3.49 0.51 0.16 -1.02 118.94 114.36 3mhc s TRP 192 Ca 0.08 0.05 -0.02 0.00 -2.12 0.00 0.00 56.10 54.10 3mhc s TRP 192 Cb 0.05 -1.60 -0.00 0.00 -0.81 0.00 0.00 33.47 31.11 3mhc s TRP 192 CO -0.09 0.52 0.03 -0.08 -0.51 0.00 0.00 176.95 176.82 3mhc s THR 193 N -1.44 0.03 0.16 2.01 -1.32 0.48 -0.79 115.64 114.77 3mhc s THR 193 Ca 0.29 -0.24 -0.22 0.00 -1.21 0.00 0.00 61.69 60.32 3mhc s THR 193 Cb -0.12 -0.13 0.06 0.00 -1.51 0.00 0.00 72.50 70.80 3mhc s THR 193 CO 0.22 -0.13 0.57 -0.72 -2.21 0.00 0.00 174.62 172.35 3mhc s TYR 194 N -0.39 -0.47 -0.03 9.09 1.13 -1.03 -1.23 117.35 124.43 3mhc s TYR 194 Ca -0.04 0.23 -0.23 0.00 -1.41 0.00 0.00 57.07 55.61 3mhc s TYR 194 Cb -0.03 0.51 -0.05 0.00 -1.10 0.00 0.00 41.96 41.30 3mhc s TYR 194 CO -0.00 -0.84 0.68 -1.25 -2.51 0.00 0.00 175.55 171.64 3mhc s PRO 195 N -3.77 4.42 0.00 -3.49 0.04 -1.26 -1.00 135.00 129.94 3mhc s PRO 195 Ca 0.02 0.88 0.00 0.00 0.04 0.00 0.00 61.00 61.93 3mhc s PRO 195 Cb -0.01 -3.40 0.00 0.00 0.04 0.00 0.00 34.50 31.13 3mhc s PRO 195 CO -0.12 0.19 0.00 0.41 0.04 0.00 0.00 177.00 177.52 3mhc n GLY 196 N 2.78 4.43 3.29 0.56 0.00 0.47 -4.82 105.19 111.90 3mhc n GLY 196 Ca -0.03 -0.64 -0.16 0.00 0.00 0.00 0.00 46.02 45.18 3mhc n GLY 196 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3mhc s SER 197 N 1.56 1.06 0.44 1.61 1.04 -1.11 -2.46 113.70 115.84 3mhc s SER 197 Ca 0.00 -1.46 -0.26 0.00 0.48 0.00 0.00 55.95 54.71 3mhc s SER 197 Cb 0.00 0.31 -0.09 0.00 0.10 0.00 0.00 66.02 66.34 3mhc s SER 197 CO 0.00 -0.83 1.42 0.18 0.98 0.00 0.00 173.24 175.00 3mhc n LEU 198 N -0.46 4.98 -0.71 2.42 4.77 -0.42 -4.48 117.00 123.11 3mhc n LEU 198 Ca 0.01 1.13 0.13 0.00 -0.03 0.00 0.00 56.01 57.25 3mhc n LEU 198 Cb 0.66 -1.60 0.34 0.00 -2.33 0.00 0.00 43.42 40.49 3mhc n LEU 198 CO 0.35 -0.17 0.76 0.35 -1.33 0.00 0.00 177.39 177.36 3mhc n THR 199 N -0.14 0.08 -4.39 -5.08 -2.24 -1.26 -4.38 114.28 96.86 3mhc n THR 199 Ca 0.05 -0.39 -0.24 0.00 -2.27 0.00 0.00 64.05 61.20 3mhc n THR 199 Cb 0.41 0.84 -0.11 0.00 -2.10 0.00 0.00 70.33 69.37 3mhc n THR 199 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3mhc s THR 200 N -1.92 2.14 0.35 4.28 -4.23 -1.26 -4.71 115.64 110.28 3mhc s THR 200 Ca 0.34 -2.06 -0.26 0.00 -1.18 0.00 0.00 61.69 58.53 3mhc s THR 200 Cb 0.20 -2.04 -0.13 0.00 1.34 0.00 0.00 72.50 71.88 3mhc s THR 200 CO 0.31 -0.26 0.97 -2.65 -0.54 0.00 0.00 174.62 172.45 3mhc n PRO 201 N 0.10 1.30 -0.02 3.99 -0.02 -1.26 -0.51 135.00 138.59 3mhc n PRO 201 Ca -0.11 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 61.83 3mhc n PRO 201 Cb 0.57 -1.89 0.01 0.00 -0.02 0.00 0.00 33.50 32.17 3mhc n PRO 201 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3mhc n PRO 202 N 0.51 1.08 -2.19 0.52 -0.04 -1.26 -4.99 135.00 128.62 3mhc n PRO 202 Ca 0.09 -0.11 -0.18 0.00 -0.04 0.00 0.00 63.50 63.26 3mhc n PRO 202 Cb 0.35 -1.08 -0.03 0.00 -0.04 0.00 0.00 33.50 32.71 3mhc n PRO 202 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3mhc n LEU 203 N -0.37 -1.61 -4.77 1.53 4.77 0.33 -4.90 117.00 111.98 3mhc n LEU 203 Ca 0.01 0.15 -0.40 0.00 -0.03 0.00 0.00 56.01 55.74 3mhc n LEU 203 Cb 0.05 -2.67 0.00 0.00 -2.33 0.00 0.00 43.42 38.47 3mhc n LEU 203 CO 0.01 -0.38 1.04 -0.76 -1.33 0.00 0.00 177.39 175.96 3mhc s LEU 204 N -5.54 4.23 -1.25 2.23 1.43 -1.26 -4.42 118.68 114.10 3mhc s LEU 204 Ca 0.00 2.83 -0.08 0.00 -1.03 0.00 0.00 54.13 55.85 3mhc s LEU 204 Cb 0.00 -3.83 0.19 0.00 0.03 0.00 0.00 46.19 42.58 3mhc s LEU 204 CO 0.00 -0.92 1.83 -0.62 0.23 0.00 0.00 176.35 176.87 3mhc n GLU 205 N 0.17 3.81 -0.09 1.70 1.02 -1.26 -1.30 120.64 124.69 3mhc n GLU 205 Ca 0.03 -3.70 0.02 0.00 -0.02 0.00 0.00 57.16 53.49 3mhc n GLU 205 Cb 0.42 -2.84 0.02 0.00 -0.02 0.00 0.00 31.44 29.02 3mhc n GLU 205 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3mhc s VAL 207 N -0.79 3.03 -0.44 0.00 1.01 -1.03 -0.41 120.40 121.77 3mhc s VAL 207 Ca 0.05 -0.67 -0.21 0.00 0.00 0.00 0.00 61.98 61.15 3mhc s VAL 207 Cb 0.04 -2.27 0.02 0.00 0.00 0.00 0.00 36.38 34.18 3mhc s VAL 207 CO 0.00 0.53 0.65 -0.89 0.00 0.00 0.00 175.10 175.39 3mhc s THR 208 N 0.29 4.82 0.03 3.92 2.01 -0.17 -0.40 115.64 126.15 3mhc s THR 208 Ca -0.10 0.11 -0.28 0.00 0.31 0.00 0.00 61.69 61.73 3mhc s THR 208 Cb -0.16 -4.21 -0.04 0.00 0.01 0.00 0.00 72.50 68.10 3mhc s THR 208 CO 0.06 -0.61 0.90 0.26 -0.69 0.00 0.00 174.62 174.54 3mhc s TRP 209 N 2.83 3.71 -0.28 4.92 0.52 -0.17 -2.29 118.94 128.18 3mhc s TRP 209 Ca 0.23 1.63 0.02 0.00 0.02 0.00 0.00 56.10 57.99 3mhc s TRP 209 Cb -0.14 -3.01 0.08 0.00 -1.15 0.00 0.00 33.47 29.25 3mhc s TRP 209 CO 0.19 0.12 -0.00 0.42 0.02 0.00 0.00 176.95 177.69 3mhc s ILE 210 N 0.50 1.68 -0.25 2.03 1.01 -0.58 -2.46 121.20 123.14 3mhc s ILE 210 Ca 0.46 -1.61 -0.06 0.00 0.00 0.00 0.00 60.65 59.44 3mhc s ILE 210 Cb -0.21 -2.07 -0.01 0.00 0.01 0.00 0.00 42.46 40.18 3mhc s ILE 210 CO 0.26 -0.34 0.04 -0.69 0.00 0.00 0.00 174.94 174.22 3mhc s VAL 211 N 1.27 3.92 0.29 2.92 1.01 0.03 -0.54 120.40 129.29 3mhc s VAL 211 Ca 0.01 -0.43 -0.29 0.00 0.00 0.00 0.00 61.98 61.27 3mhc s VAL 211 Cb -0.19 -2.88 -0.10 0.00 0.00 0.00 0.00 36.38 33.21 3mhc s VAL 211 CO -0.10 0.28 1.32 -0.76 0.00 0.00 0.00 175.10 175.84 3mhc s LEU 212 N 1.54 4.43 0.20 3.92 1.43 -0.16 -0.67 118.68 129.37 3mhc s LEU 212 Ca 0.05 2.61 -0.05 0.00 -1.03 0.00 0.00 54.13 55.70 3mhc s LEU 212 Cb -0.15 -3.64 0.15 0.00 0.03 0.00 0.00 46.19 42.58 3mhc s LEU 212 CO 0.01 -0.53 1.60 0.50 0.23 0.00 0.00 176.35 178.16 3mhc h LYS 213 N 4.05 0.79 -5.45 1.70 3.64 -1.49 -3.43 116.57 116.39 3mhc h LYS 213 Ca -0.48 -0.34 -0.62 0.00 -1.27 0.00 0.00 60.65 57.95 3mhc h LYS 213 Cb 1.22 -0.03 -0.12 0.00 -0.41 0.00 0.00 32.23 32.89 3mhc h LYS 213 CO 0.70 0.96 0.10 -2.00 -2.27 0.00 0.00 179.45 176.94 3mhc s GLU 214 N -4.55 3.98 0.69 1.90 2.12 -1.26 -5.01 118.70 116.57 3mhc s GLU 214 Ca -0.09 0.34 -0.13 0.00 0.36 0.00 0.00 54.97 55.45 3mhc s GLU 214 Cb 0.13 -3.69 0.01 0.00 0.26 0.00 0.00 34.13 30.84 3mhc s GLU 214 CO 0.84 -0.48 1.08 -2.14 -0.54 0.00 0.00 175.26 174.03 3mhc s PRO 215 N 2.49 2.77 0.23 4.30 0.02 -1.26 -4.65 135.00 138.90 3mhc s PRO 215 Ca 0.24 1.19 -0.03 0.00 0.02 0.00 0.00 61.00 62.42 3mhc s PRO 215 Cb -0.15 -1.96 -0.05 0.00 0.02 0.00 0.00 34.50 32.36 3mhc s PRO 215 CO 0.10 -1.25 0.46 0.96 -0.33 0.00 0.00 177.00 176.95 3mhc s ILE 216 N -2.69 5.11 -0.15 2.83 -4.36 -0.10 -4.86 121.20 116.98 3mhc s ILE 216 Ca 0.63 -0.11 -0.08 0.00 -0.26 0.00 0.00 60.65 60.83 3mhc s ILE 216 Cb -0.17 -3.72 -0.04 0.00 1.25 0.00 0.00 42.46 39.78 3mhc s ILE 216 CO 0.48 -0.21 0.13 -0.44 0.24 0.00 0.00 174.94 175.13 3mhc s SER 217 N -3.05 6.23 0.24 4.36 0.01 -1.26 -1.41 113.70 118.82 3mhc s SER 217 Ca 0.41 0.35 0.08 0.00 1.31 0.00 0.00 55.95 58.10 3mhc s SER 217 Cb -0.11 -2.04 -0.05 0.00 0.21 0.00 0.00 66.02 64.03 3mhc s SER 217 CO 0.29 0.32 -0.11 0.68 0.41 0.00 0.00 173.24 174.82 3mhc s VAL 218 N -0.48 1.77 0.50 3.43 -7.23 0.38 -3.24 120.40 115.53 3mhc s VAL 218 Ca 0.12 -2.19 -0.06 0.00 -1.81 0.00 0.00 61.98 58.04 3mhc s VAL 218 Cb -0.12 -2.24 -0.04 0.00 0.56 0.00 0.00 36.38 34.54 3mhc s VAL 218 CO 0.02 -0.45 0.82 -0.94 -0.31 0.00 0.00 175.10 174.24 3mhc s SER 219 N -3.39 6.25 0.21 4.85 1.04 -1.14 0.35 113.70 121.87 3mhc s SER 219 Ca 0.26 0.99 -0.11 0.00 0.48 0.00 0.00 55.95 57.57 3mhc s SER 219 Cb 0.01 -2.27 0.29 0.00 0.10 0.00 0.00 66.02 64.14 3mhc s SER 219 CO 0.10 -0.62 1.67 -1.28 0.98 0.00 0.00 173.24 174.08 3mhc h SER 220 N 0.15 -0.25 -0.69 7.02 0.87 -1.92 -1.83 113.55 116.90 3mhc h SER 220 Ca -0.47 0.15 -0.04 0.00 -1.23 0.00 0.00 61.79 60.20 3mhc h SER 220 Cb 1.20 0.26 -0.03 0.00 -0.44 0.00 0.00 62.40 63.39 3mhc h SER 220 CO 0.62 -0.10 0.27 -0.33 -0.53 0.00 0.00 176.83 176.76 3mhc h GLU 221 N 0.13 1.06 0.04 2.24 3.07 -1.95 -0.82 114.58 118.35 3mhc h GLU 221 Ca 0.32 -0.19 -0.00 0.00 -0.50 0.00 0.00 59.36 58.98 3mhc h GLU 221 Cb 0.50 -0.17 0.00 0.00 -0.84 0.00 0.00 28.75 28.24 3mhc h GLU 221 CO -0.51 0.87 -0.02 1.96 -1.40 0.00 0.00 179.01 179.91 3mhc h GLN 222 N 1.03 -0.06 -0.22 2.33 4.20 -1.73 -2.45 115.11 118.21 3mhc h GLN 222 Ca 0.24 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.83 3mhc h GLN 222 Cb 0.22 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.00 3mhc h GLN 222 CO -0.02 -0.02 -0.37 0.28 -0.67 0.00 0.00 178.83 178.03 3mhc h VAL 223 N -0.08 1.30 -0.76 -0.54 2.07 -1.22 -2.49 116.25 114.52 3mhc h VAL 223 Ca -0.01 -1.50 0.07 0.00 0.82 0.00 0.00 66.70 66.09 3mhc h VAL 223 Cb 0.07 1.53 -0.05 0.00 -1.52 0.00 0.00 31.29 31.32 3mhc h VAL 223 CO 0.01 0.47 0.50 -0.07 0.02 0.00 0.00 177.57 178.49 3mhc h LEU 224 N 0.40 0.69 -0.91 2.57 3.38 -1.07 -1.31 115.31 119.06 3mhc h LEU 224 Ca 0.04 0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.91 3mhc h LEU 224 Cb 0.83 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 3mhc h LEU 224 CO 0.07 0.44 -0.40 0.11 0.09 0.00 0.00 178.44 178.75 3mhc h LYS 225 N 0.78 0.29 -0.70 1.13 1.57 -0.98 -2.24 116.57 116.42 3mhc h LYS 225 Ca 0.33 -0.14 0.07 0.00 -1.87 0.00 0.00 60.65 59.05 3mhc h LYS 225 Cb 0.29 -0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.53 3mhc h LYS 225 CO -0.11 0.65 0.38 0.74 -0.57 0.00 0.00 179.45 180.53 3mhc h PHE 226 N 0.25 0.69 0.00 -1.35 -1.00 -1.11 -2.73 116.94 111.69 3mhc h PHE 226 Ca 0.02 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.83 3mhc h PHE 226 Cb 0.81 -0.21 0.00 0.00 3.61 0.00 0.00 35.95 40.17 3mhc h PHE 226 CO 0.02 0.30 0.00 0.54 -1.61 0.00 0.00 178.31 177.56 3mhc n ARG 227 N -4.80 0.39 0.00 1.51 1.74 -0.85 -2.37 116.66 112.27 3mhc n ARG 227 Ca 0.10 0.07 0.12 0.00 -0.77 0.00 0.00 57.85 57.37 3mhc n ARG 227 Cb 0.22 -1.50 0.27 0.00 -1.02 0.00 0.00 32.46 30.43 3mhc n ARG 227 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3mhc n LYS 228 N -1.22 0.21 -0.94 5.56 5.02 -1.03 -4.49 118.16 121.26 3mhc n LYS 228 Ca 0.12 -0.12 -0.30 0.00 -2.02 0.00 0.00 58.31 55.99 3mhc n LYS 228 Cb 0.15 -1.50 0.16 0.00 -0.02 0.00 0.00 35.03 33.83 3mhc n LYS 228 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3mhc s LEU 229 N -2.88 2.19 -0.01 -0.35 1.43 -1.00 -4.87 118.68 113.19 3mhc s LEU 229 Ca 0.14 1.71 0.08 0.00 -1.03 0.00 0.00 54.13 55.03 3mhc s LEU 229 Cb 0.18 -4.04 -0.02 0.00 0.03 0.00 0.00 46.19 42.34 3mhc s LEU 229 CO 0.66 -3.03 -0.26 0.20 0.23 0.00 0.00 176.35 174.16 3mhc s ASN 230 N -3.04 3.04 0.18 2.29 0.02 0.28 -0.29 114.94 117.42 3mhc s ASN 230 Ca 0.65 -0.48 -0.01 0.00 -1.02 0.00 0.00 52.86 52.00 3mhc s ASN 230 Cb -0.21 -0.33 0.08 0.00 0.02 0.00 0.00 41.25 40.82 3mhc s ASN 230 CO 0.59 0.31 1.46 -0.26 0.02 0.00 0.00 177.10 179.21 3mhc h PHE 231 N 5.42 0.56 -4.29 2.20 0.04 -1.43 -3.35 116.94 116.09 3mhc h PHE 231 Ca -0.43 -0.23 -0.50 0.00 2.80 0.00 0.00 57.97 59.61 3mhc h PHE 231 Cb 1.12 -0.09 0.07 0.00 2.20 0.00 0.00 35.95 39.25 3mhc h PHE 231 CO 0.40 0.98 0.37 0.54 -0.60 0.00 0.00 178.31 180.00 3mhc s ASN 232 N -6.96 5.81 0.71 2.17 4.22 -1.26 -4.37 114.94 115.27 3mhc s ASN 232 Ca -0.06 1.19 -0.11 0.00 -2.14 0.00 0.00 52.86 51.74 3mhc s ASN 232 Cb 0.11 -2.13 0.03 0.00 1.28 0.00 0.00 41.25 40.53 3mhc s ASN 232 CO 0.84 -1.08 1.09 -0.83 -2.04 0.00 0.00 177.10 175.07 3mhc s GLY 233 N -4.27 1.62 0.34 0.45 0.00 -1.26 -0.78 107.32 103.42 3mhc s GLY 233 Ca 0.56 -0.47 -0.29 0.00 0.00 0.00 0.00 44.72 44.53 3mhc s GLY 233 CO 0.51 -0.08 1.49 -2.21 0.00 0.00 0.00 173.10 172.81 3mhc n GLU 234 N -3.01 2.58 -0.99 2.90 2.13 -1.26 -2.11 120.64 120.88 3mhc n GLU 234 Ca 0.07 0.91 0.00 0.00 0.66 0.00 0.00 57.16 58.80 3mhc n GLU 234 Cb 0.58 -2.63 0.00 0.00 0.27 0.00 0.00 31.44 29.66 3mhc n GLU 234 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3mhc n GLY 235 N 1.02 0.66 3.78 8.31 0.00 -1.26 -5.02 105.19 112.68 3mhc n GLY 235 Ca 0.04 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.84 3mhc n GLY 235 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3mhc s GLU 236 N -0.06 2.68 0.34 1.61 2.02 -0.90 -5.08 118.70 119.31 3mhc s GLU 236 Ca 0.00 -1.24 -0.29 0.00 0.02 0.00 0.00 54.97 53.46 3mhc s GLU 236 Cb 0.00 -2.41 -0.12 0.00 0.10 0.00 0.00 34.13 31.70 3mhc s GLU 236 CO 0.00 0.29 1.48 -2.30 0.02 0.00 0.00 175.26 174.75 3mhc n PRO 237 N -1.16 2.55 -2.49 0.39 -0.02 -1.26 -4.87 135.00 128.14 3mhc n PRO 237 Ca -0.06 0.90 -0.43 0.00 -2.02 0.00 0.00 63.50 61.90 3mhc n PRO 237 Cb 0.59 -2.61 -0.02 0.00 -0.02 0.00 0.00 33.50 31.43 3mhc n PRO 237 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 3mhc s GLU 238 N -1.51 4.33 -0.15 -0.52 2.12 -1.26 -4.75 118.70 116.96 3mhc s GLU 238 Ca 0.58 1.62 -0.00 0.00 0.36 0.00 0.00 54.97 57.52 3mhc s GLU 238 Cb -0.51 -3.61 0.03 0.00 0.26 0.00 0.00 34.13 30.31 3mhc s GLU 238 CO 0.58 -0.50 -0.08 -1.21 -0.54 0.00 0.00 175.26 173.52 3mhc s GLU 239 N 2.54 1.62 0.30 4.30 2.02 -1.26 -5.06 118.70 123.16 3mhc s GLU 239 Ca 0.54 -0.47 -0.29 0.00 0.02 0.00 0.00 54.97 54.77 3mhc s GLU 239 Cb -0.23 -1.93 -0.11 0.00 0.10 0.00 0.00 34.13 31.97 3mhc s GLU 239 CO 0.19 -0.36 1.48 -0.51 0.02 0.00 0.00 175.26 176.09 3mhc s LEU 240 N 1.62 4.36 -0.97 1.80 1.43 -1.26 -1.24 118.68 124.42 3mhc s LEU 240 Ca 0.02 2.85 -0.24 0.00 -1.03 0.00 0.00 54.13 55.74 3mhc s LEU 240 Cb -0.14 -3.64 0.04 0.00 0.03 0.00 0.00 46.19 42.48 3mhc s LEU 240 CO -0.08 -0.79 1.45 -0.32 0.23 0.00 0.00 176.35 176.84 3mhc s MET 241 N -1.01 3.47 0.06 1.70 -2.45 0.60 -4.61 119.30 117.08 3mhc s MET 241 Ca 0.58 -0.93 -0.02 0.00 -1.25 0.00 0.00 55.69 54.06 3mhc s MET 241 Cb -0.45 -5.16 -0.04 0.00 1.25 0.00 0.00 34.83 30.44 3mhc s MET 241 CO 0.51 -2.26 0.01 0.14 1.05 0.00 0.00 175.02 174.47 3mhc s VAL 242 N 5.36 0.20 -1.39 10.11 -7.23 -1.26 -4.50 120.40 121.69 3mhc s VAL 242 Ca 0.46 -1.75 -0.05 0.00 -1.81 0.00 0.00 61.98 58.83 3mhc s VAL 242 Cb -0.02 -1.56 0.03 0.00 0.56 0.00 0.00 36.38 35.39 3mhc s VAL 242 CO -0.05 -0.89 0.79 0.47 -0.31 0.00 0.00 175.10 175.11 3mhc n ASP 243 N 0.06 -2.42 -2.67 4.85 8.00 -0.28 -4.85 116.55 119.26 3mhc n ASP 243 Ca -0.13 -0.81 -0.31 0.00 0.71 0.00 0.00 54.79 54.25 3mhc n ASP 243 Cb 0.61 -3.98 -0.03 0.00 -0.02 0.00 0.00 41.12 37.71 3mhc n ASP 243 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 3mhc n ASN 244 N -2.98 6.82 -4.25 -2.24 6.94 -1.11 -4.90 115.26 113.53 3mhc n ASN 244 Ca -0.18 -3.36 -0.27 0.00 -0.02 0.00 0.00 54.58 50.75 3mhc n ASN 244 Cb 0.63 -1.20 -0.15 0.00 -2.36 0.00 0.00 39.78 36.70 3mhc n ASN 244 CO 0.00 0.00 0.00 -1.66 -1.03 0.00 0.00 177.26 174.57 3mhc s TRP 245 N -2.30 1.90 -0.02 -2.53 1.48 -1.26 -4.60 118.94 111.61 3mhc s TRP 245 Ca 0.57 -0.37 -0.17 0.00 -1.06 0.00 0.00 56.10 55.06 3mhc s TRP 245 Cb 0.38 -1.16 -0.05 0.00 -1.16 0.00 0.00 33.47 31.48 3mhc s TRP 245 CO -0.26 0.06 0.49 0.50 -4.06 0.00 0.00 176.95 173.67 3mhc s ARG 246 N -0.97 4.15 0.84 3.25 3.52 -1.26 -4.96 118.95 123.53 3mhc s ARG 246 Ca 0.08 0.54 -0.12 0.00 -0.13 0.00 0.00 55.73 56.10 3mhc s ARG 246 Cb -0.09 -3.30 0.10 0.00 -1.56 0.00 0.00 34.95 30.10 3mhc s ARG 246 CO 0.01 0.49 1.10 -1.25 -0.81 0.00 0.00 175.30 174.84 3mhc s PRO 247 N -0.50 1.71 0.30 5.12 0.04 -1.26 -4.57 135.00 135.84 3mhc s PRO 247 Ca 0.26 0.66 -0.29 0.00 0.04 0.00 0.00 61.00 61.67 3mhc s PRO 247 Cb -0.17 -1.87 -0.12 0.00 0.04 0.00 0.00 34.50 32.37 3mhc s PRO 247 CO 0.14 -1.89 1.41 0.00 0.04 0.00 0.00 177.00 176.71 3mhc n ALA 248 N -3.62 1.60 -2.75 8.56 0.00 -1.26 -4.38 120.51 118.66 3mhc n ALA 248 Ca 0.07 0.38 -0.22 0.00 0.00 0.00 0.00 53.44 53.67 3mhc n ALA 248 Cb 0.56 -2.32 -0.05 0.00 0.00 0.00 0.00 19.45 17.65 3mhc n ALA 248 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3mhc s GLN 249 N -1.15 2.80 0.30 0.00 -1.52 0.35 -4.94 119.66 115.50 3mhc s GLN 249 Ca 0.61 -1.15 -0.30 0.00 -1.95 0.00 0.00 55.36 52.57 3mhc s GLN 249 Cb -0.57 -2.49 -0.12 0.00 -0.22 0.00 0.00 33.01 29.61 3mhc s GLN 249 CO 0.56 0.34 1.60 -2.30 -0.25 0.00 0.00 175.29 175.24 3mhc n PRO 250 N -1.17 2.71 0.09 2.91 -0.02 -1.26 -4.52 135.00 133.74 3mhc n PRO 250 Ca -0.07 0.96 -0.04 0.00 -2.02 0.00 0.00 63.50 62.33 3mhc n PRO 250 Cb 0.58 -2.75 0.13 0.00 -0.02 0.00 0.00 33.50 31.45 3mhc n PRO 250 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3mhc h LEU 251 N 4.76 0.22 0.00 2.45 5.85 -1.95 -3.43 115.31 123.21 3mhc h LEU 251 Ca -0.47 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.12 3mhc h LEU 251 Cb 1.22 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.19 3mhc h LEU 251 CO 0.79 0.78 0.00 0.29 -0.34 0.00 0.00 178.44 179.96 3mhc n LYS 252 N -3.86 0.00 -2.10 1.25 5.02 -1.26 -3.26 118.16 113.95 3mhc n LYS 252 Ca -0.02 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.86 3mhc n LYS 252 Cb 0.62 0.00 -0.00 0.00 -0.02 0.00 0.00 35.03 35.63 3mhc n LYS 252 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3mhc n ASN 253 N 2.04 6.91 -3.99 4.39 4.05 -1.26 -4.90 115.26 122.50 3mhc n ASN 253 Ca 0.00 -3.11 -0.11 0.00 0.45 0.00 0.00 54.58 51.81 3mhc n ASN 253 Cb 0.00 -1.41 -0.12 0.00 1.23 0.00 0.00 39.78 39.48 3mhc n ASN 253 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 177.26 174.08 3mhc s ARG 254 N -0.43 0.34 -0.13 1.20 0.52 -1.20 -5.09 118.95 114.15 3mhc s ARG 254 Ca 0.49 -0.54 0.00 0.00 -0.52 0.00 0.00 55.73 55.16 3mhc s ARG 254 Cb 0.15 -0.06 -0.01 0.00 0.52 0.00 0.00 34.95 35.55 3mhc s ARG 254 CO -0.05 -0.00 -0.15 -0.65 0.02 0.00 0.00 175.30 174.47 3mhc s GLN 255 N -1.20 3.32 -0.03 3.54 -0.21 -1.26 -5.03 119.66 118.79 3mhc s GLN 255 Ca -0.11 -0.72 -0.26 0.00 0.02 0.00 0.00 55.36 54.29 3mhc s GLN 255 Cb -0.08 -2.59 -0.04 0.00 1.00 0.00 0.00 33.01 31.30 3mhc s GLN 255 CO -0.00 0.18 0.81 0.42 -2.12 0.00 0.00 175.29 174.57 3mhc s ILE 256 N 0.43 4.94 0.05 1.08 1.01 -1.26 -4.74 121.20 122.70 3mhc s ILE 256 Ca -0.11 1.69 0.02 0.00 0.00 0.00 0.00 60.65 62.25 3mhc s ILE 256 Cb -0.16 -4.15 -0.04 0.00 0.01 0.00 0.00 42.46 38.12 3mhc s ILE 256 CO 0.05 0.24 0.06 -0.54 0.00 0.00 0.00 174.94 174.75 3mhc s LYS 257 N 0.74 2.89 0.04 2.79 1.02 -0.37 -1.47 119.74 125.37 3mhc s LYS 257 Ca 0.43 -0.64 0.06 0.00 0.02 0.00 0.00 55.97 55.83 3mhc s LYS 257 Cb -0.19 -2.74 -0.03 0.00 -0.52 0.00 0.00 37.83 34.35 3mhc s LYS 257 CO 0.22 0.59 -0.13 0.00 -0.92 0.00 0.00 175.35 175.12 3mhc s ALA 258 N -1.29 2.81 -2.30 5.17 0.00 0.53 -0.39 121.76 126.29 3mhc s ALA 258 Ca 0.26 -1.14 0.28 0.00 0.00 0.00 0.00 51.96 51.36 3mhc s ALA 258 Cb -0.12 -0.91 1.00 0.00 0.00 0.00 0.00 23.12 23.09 3mhc s ALA 258 CO 0.18 0.60 1.72 -1.13 0.00 0.00 0.00 175.76 177.13 3mhc n SER 259 N 1.43 1.34 -4.07 0.00 3.41 -0.19 -1.20 113.62 114.34 3mhc n SER 259 Ca -0.15 -1.33 -0.09 0.00 -0.26 0.00 0.00 58.87 57.03 3mhc n SER 259 Cb 0.52 0.03 -0.09 0.00 -0.26 0.00 0.00 64.21 64.41 3mhc n SER 259 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 3mhc s PHE 260 N -2.12 0.63 -0.02 7.33 -0.71 -1.26 -4.89 117.98 116.94 3mhc s PHE 260 Ca 0.35 -1.03 0.00 0.00 -1.04 0.00 0.00 56.93 55.21 3mhc s PHE 260 Cb 0.21 -0.32 0.00 0.00 -1.21 0.00 0.00 43.02 41.70 3mhc s PHE 260 CO 0.38 -0.56 0.51 0.36 -1.34 0.00 0.00 175.22 174.56