#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hea s THR 2 N 0.00 0.10 0.14 0.44 -4.23 -1.26 -1.30 115.64 109.52 3hea s THR 2 Ca 0.00 -0.78 0.02 0.00 -1.18 0.00 0.00 61.69 59.75 3hea s THR 2 Cb 0.00 -0.89 -0.04 0.00 1.34 0.00 0.00 72.50 72.91 3hea s THR 2 CO 0.00 -0.43 -0.04 0.72 -0.54 0.00 0.00 174.62 174.33 3hea s PHE 3 N -2.45 1.10 -0.21 3.99 -0.12 -0.67 -4.96 117.98 114.66 3hea s PHE 3 Ca -0.06 -0.93 -0.05 0.00 -0.05 0.00 0.00 56.93 55.84 3hea s PHE 3 Cb -0.01 -0.62 -0.02 0.00 -0.63 0.00 0.00 43.02 41.73 3hea s PHE 3 CO -0.03 -0.13 0.01 0.08 -0.05 0.00 0.00 175.22 175.10 3hea s VAL 4 N -3.58 3.94 0.90 -2.49 1.01 -1.26 -0.29 120.40 118.63 3hea s VAL 4 Ca 0.18 -0.31 -0.13 0.00 0.00 0.00 0.00 61.98 61.72 3hea s VAL 4 Cb 0.05 -2.80 0.14 0.00 0.00 0.00 0.00 36.38 33.77 3hea s VAL 4 CO 0.00 0.41 1.15 0.00 0.00 0.00 0.00 175.10 176.66 3hea s ALA 5 N 1.20 1.92 0.24 5.51 0.00 0.68 -4.88 121.76 126.43 3hea s ALA 5 Ca 0.03 -0.60 -0.11 0.00 0.00 0.00 0.00 51.96 51.28 3hea s ALA 5 Cb -0.15 -3.00 0.33 0.00 0.00 0.00 0.00 23.12 20.31 3hea s ALA 5 CO 0.01 -2.22 1.59 -0.22 0.00 0.00 0.00 175.76 174.92 3hea h LYS 6 N -1.46 -0.01 -0.09 0.00 3.64 -1.95 -0.14 116.57 116.56 3hea h LYS 6 Ca -0.49 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.89 3hea h LYS 6 Cb 1.33 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.15 3hea h LYS 6 CO 0.61 -0.00 0.00 -0.40 -2.27 0.00 0.00 179.45 177.38 3hea n ASP 7 N -5.52 0.63 0.00 4.20 5.68 -1.26 -4.84 116.55 115.43 3hea n ASP 7 Ca 0.11 -1.75 0.00 0.00 -0.50 0.00 0.00 54.79 52.65 3hea n ASP 7 Cb 0.41 -0.06 0.00 0.00 -1.14 0.00 0.00 41.12 40.33 3hea n ASP 7 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3hea n GLY 8 N 0.81 0.46 3.67 6.12 0.00 -0.07 -5.05 105.19 111.14 3hea n GLY 8 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 3hea n GLY 8 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hea s THR 9 N -2.07 3.72 -0.16 2.61 2.01 -1.25 -4.69 115.64 115.80 3hea s THR 9 Ca 0.00 1.01 -0.27 0.00 0.31 0.00 0.00 61.69 62.73 3hea s THR 9 Cb 0.00 -3.65 -0.01 0.00 0.01 0.00 0.00 72.50 68.85 3hea s THR 9 CO 0.00 -0.04 0.92 -1.58 -0.69 0.00 0.00 174.62 173.23 3hea s GLN 10 N 3.11 4.33 -0.17 4.92 0.74 -1.26 -0.23 119.66 131.09 3hea s GLN 10 Ca 0.66 1.20 -0.03 0.00 0.05 0.00 0.00 55.36 57.24 3hea s GLN 10 Cb -0.31 -3.58 -0.02 0.00 1.10 0.00 0.00 33.01 30.20 3hea s GLN 10 CO 0.26 -0.39 -0.06 0.42 -0.55 0.00 0.00 175.29 174.97 3hea s ILE 11 N 2.32 3.54 0.18 -2.34 -1.09 0.60 -0.75 121.20 123.66 3hea s ILE 11 Ca 0.42 -0.47 -0.23 0.00 -2.23 0.00 0.00 60.65 58.15 3hea s ILE 11 Cb -0.17 -2.56 -0.08 0.00 -1.58 0.00 0.00 42.46 38.07 3hea s ILE 11 CO 0.13 0.47 0.74 -0.47 -1.23 0.00 0.00 174.94 174.58 3hea s TYR 12 N 0.73 3.80 0.13 3.97 5.04 -1.26 -1.67 117.35 128.09 3hea s TYR 12 Ca -0.03 1.52 -0.14 0.00 -2.44 0.00 0.00 57.07 55.98 3hea s TYR 12 Cb -0.15 -2.69 0.02 0.00 0.35 0.00 0.00 41.96 39.49 3hea s TYR 12 CO 0.02 0.45 0.36 -0.59 -1.34 0.00 0.00 175.55 174.46 3hea s PHE 13 N -1.29 -0.06 0.01 4.97 -0.71 -0.42 -0.81 117.98 119.67 3hea s PHE 13 Ca 0.38 -0.29 0.05 0.00 -1.04 0.00 0.00 56.93 56.03 3hea s PHE 13 Cb -0.20 0.18 -0.03 0.00 -1.21 0.00 0.00 43.02 41.75 3hea s PHE 13 CO 0.24 -0.70 -0.14 0.15 -1.34 0.00 0.00 175.22 173.43 3hea s LYS 14 N -3.84 2.31 -0.26 1.99 1.02 0.79 -1.68 119.74 120.06 3hea s LYS 14 Ca 0.06 -0.84 -0.03 0.00 0.02 0.00 0.00 55.97 55.18 3hea s LYS 14 Cb 0.02 -2.32 0.09 0.00 -0.52 0.00 0.00 37.83 35.10 3hea s LYS 14 CO -0.09 0.58 0.10 0.34 -0.92 0.00 0.00 175.35 175.35 3hea s ASP 15 N -1.26 3.46 -0.02 2.83 -1.08 -1.26 -1.47 116.67 117.87 3hea s ASP 15 Ca 0.15 -1.24 0.06 0.00 -0.52 0.00 0.00 52.55 50.99 3hea s ASP 15 Cb -0.11 -0.56 -0.02 0.00 -1.46 0.00 0.00 42.92 40.76 3hea s ASP 15 CO 0.05 -0.39 -0.19 0.26 0.52 0.00 0.00 175.17 175.41 3hea s TRP 16 N 1.89 2.55 0.00 -5.34 0.51 0.87 -4.97 118.94 114.45 3hea s TRP 16 Ca 0.06 -0.27 0.00 0.00 -2.12 0.00 0.00 56.10 53.78 3hea s TRP 16 Cb -0.17 -1.56 0.00 0.00 -0.81 0.00 0.00 33.47 30.94 3hea s TRP 16 CO -0.24 0.12 0.00 0.41 -0.51 0.00 0.00 176.95 176.73 3hea n GLY 17 N 2.22 -1.50 3.22 0.98 0.00 -1.26 -0.39 105.19 108.45 3hea n GLY 17 Ca -0.17 -1.27 -0.09 0.00 0.00 0.00 0.00 46.02 44.49 3hea n GLY 17 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hea s SER 18 N -4.00 0.17 0.00 1.61 1.04 -1.25 -4.71 113.70 106.57 3hea s SER 18 Ca 0.00 -0.83 0.00 0.00 0.48 0.00 0.00 55.95 55.60 3hea s SER 18 Cb 0.00 0.34 0.00 0.00 0.10 0.00 0.00 66.02 66.46 3hea s SER 18 CO 0.00 -0.76 0.00 0.61 0.98 0.00 0.00 173.24 174.07 3hea n GLY 19 N -0.08 0.37 3.75 7.32 0.00 -1.26 -3.08 105.19 112.21 3hea n GLY 19 Ca -0.12 -2.28 -0.41 0.00 0.00 0.00 0.00 46.02 43.21 3hea n GLY 19 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hea s LYS 20 N 0.00 4.15 0.25 1.61 -0.14 -1.26 -4.20 119.74 120.16 3hea s LYS 20 Ca 0.00 2.52 -0.21 0.00 -1.36 0.00 0.00 55.97 56.92 3hea s LYS 20 Cb 0.00 -3.04 -0.09 0.00 -1.68 0.00 0.00 37.83 33.02 3hea s LYS 20 CO 0.00 -0.58 0.78 -1.25 -0.76 0.00 0.00 175.35 173.54 3hea s PRO 21 N -0.51 4.33 -0.13 -1.68 0.04 -1.26 -1.53 135.00 134.26 3hea s PRO 21 Ca 0.62 0.98 -0.00 0.00 0.04 0.00 0.00 61.00 62.64 3hea s PRO 21 Cb -0.46 -2.85 0.02 0.00 0.04 0.00 0.00 34.50 31.26 3hea s PRO 21 CO 0.47 0.36 -0.10 0.08 0.04 0.00 0.00 177.00 177.85 3hea s VAL 22 N -1.56 1.23 -0.22 -0.36 1.01 0.10 -1.45 120.40 119.15 3hea s VAL 22 Ca 0.45 -0.43 -0.05 0.00 0.00 0.00 0.00 61.98 61.94 3hea s VAL 22 Cb -0.17 -1.22 -0.02 0.00 0.00 0.00 0.00 36.38 34.97 3hea s VAL 22 CO 0.21 0.39 0.00 -0.22 0.00 0.00 0.00 175.10 175.49 3hea s LEU 23 N 1.62 3.17 -0.16 3.92 0.20 0.44 -0.84 118.68 127.04 3hea s LEU 23 Ca 0.05 -0.28 -0.07 0.00 0.69 0.00 0.00 54.13 54.52 3hea s LEU 23 Cb -0.13 -1.82 -0.04 0.00 -0.43 0.00 0.00 46.19 43.77 3hea s LEU 23 CO -0.09 0.00 0.09 -0.36 -0.29 0.00 0.00 176.35 175.70 3hea s PHE 24 N 1.38 3.37 -0.25 5.38 0.40 0.50 -0.36 117.98 128.40 3hea s PHE 24 Ca 0.05 0.27 0.02 0.00 -0.60 0.00 0.00 56.93 56.66 3hea s PHE 24 Cb -0.15 -2.02 0.05 0.00 0.51 0.00 0.00 43.02 41.41 3hea s PHE 24 CO 0.00 0.39 -0.11 0.45 0.70 0.00 0.00 175.22 176.65 3hea s SER 25 N -0.18 4.28 0.83 1.36 0.15 0.14 -3.81 113.70 116.47 3hea s SER 25 Ca 0.09 -1.22 -0.12 0.00 0.70 0.00 0.00 55.95 55.40 3hea s SER 25 Cb -0.12 -1.57 0.09 0.00 -1.71 0.00 0.00 66.02 62.71 3hea s SER 25 CO 0.01 -0.16 1.10 -1.38 1.20 0.00 0.00 173.24 174.01 3hea s HIS 26 N 1.17 2.70 0.69 3.44 -3.43 -1.26 -1.54 115.29 117.06 3hea s HIS 26 Ca -0.06 1.13 0.00 0.00 -0.80 0.00 0.00 55.06 55.34 3hea s HIS 26 Cb -0.19 -3.16 0.11 0.00 -1.43 0.00 0.00 32.58 27.92 3hea s HIS 26 CO -0.06 -1.96 0.96 0.20 -2.00 0.00 0.00 174.74 171.88 3hea s GLY 27 N -3.83 1.76 0.15 -1.38 0.00 -1.18 -3.31 107.32 99.54 3hea s GLY 27 Ca 0.62 -1.72 -0.25 0.00 0.00 0.00 0.00 44.72 43.37 3hea s GLY 27 CO 0.55 -1.19 0.75 0.86 0.00 0.00 0.00 173.10 174.06 3hea s TRP 28 N -3.07 3.90 -0.82 1.90 -0.00 -1.26 -1.32 118.94 118.27 3hea s TRP 28 Ca 0.65 1.59 0.02 0.00 -0.00 0.00 0.00 56.10 58.36 3hea s TRP 28 Cb -0.06 -2.74 0.33 0.00 -0.00 0.00 0.00 33.47 31.00 3hea s TRP 28 CO 0.43 0.52 1.39 -0.35 -0.00 0.00 0.00 176.95 178.95 3hea n PRO 29 N 1.62 4.36 0.00 5.86 -0.04 -1.26 -5.00 135.00 140.54 3hea n PRO 29 Ca -0.06 -4.76 0.00 0.00 -0.04 0.00 0.00 63.50 58.64 3hea n PRO 29 Cb 0.49 -2.36 0.00 0.00 -0.04 0.00 0.00 33.50 31.59 3hea n PRO 29 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3hea n LEU 30 N -0.07 0.00 0.00 1.53 4.77 -0.43 -3.94 117.00 118.86 3hea n LEU 30 Ca 0.39 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.37 3hea n LEU 30 Cb 0.32 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 3hea n LEU 30 CO 0.44 0.00 0.00 -0.90 -1.33 0.00 0.00 177.39 175.60 3hea n ASP 31 N 0.00 0.00 0.33 -1.43 5.68 -1.26 -4.25 116.55 115.62 3hea n ASP 31 Ca 0.00 -0.68 0.21 0.00 -0.50 0.00 0.00 54.79 53.82 3hea n ASP 31 Cb 0.00 0.00 1.14 0.00 -1.14 0.00 0.00 41.12 41.12 3hea n ASP 31 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3hea h ALA 32 N 1.99 1.11 0.00 2.12 0.00 -1.91 -2.50 119.26 120.07 3hea h ALA 32 Ca 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3hea h ALA 32 Cb 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 3hea h ALA 32 CO 0.00 0.00 -0.06 -0.44 0.00 0.00 0.00 179.25 178.76 3hea h ASP 33 N 0.00 0.00 0.11 0.00 5.19 -1.95 -2.12 116.42 117.65 3hea h ASP 33 Ca -0.00 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3hea h ASP 33 Cb 0.03 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.54 3hea h ASP 33 CO 0.00 0.06 -0.00 0.00 -3.12 0.00 0.00 179.24 176.17 3hea h MET 34 N 0.00 0.00 -0.02 3.56 -0.00 -1.86 -2.14 114.93 114.47 3hea h MET 34 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 3hea h MET 34 Cb 0.33 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.93 3hea h MET 34 CO 0.01 0.00 -0.09 0.91 -0.00 0.00 0.00 176.91 177.74 3hea n TRP 35 N -3.13 0.00 -0.35 -0.10 7.02 -0.80 -4.67 117.44 115.41 3hea n TRP 35 Ca -0.03 0.00 0.10 0.00 -1.02 0.00 0.00 57.50 56.55 3hea n TRP 35 Cb 0.10 -0.01 0.29 0.00 -2.42 0.00 0.00 31.31 29.26 3hea n TRP 35 CO 0.00 0.00 0.00 1.05 -2.02 0.00 0.00 177.69 176.72 3hea h GLU 36 N 3.30 0.85 -0.25 -0.99 4.11 -1.52 -0.47 114.58 119.62 3hea h GLU 36 Ca 0.00 -0.05 -0.16 0.00 0.07 0.00 0.00 59.36 59.22 3hea h GLU 36 Cb 0.76 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 3hea h GLU 36 CO 0.00 0.56 -0.49 1.88 0.07 0.00 0.00 179.01 181.03 3hea h TYR 37 N 0.87 0.82 -0.28 2.06 0.05 -1.84 -1.63 116.97 117.03 3hea h TYR 37 Ca 0.53 -0.27 -0.15 0.00 0.05 0.00 0.00 58.73 58.89 3hea h TYR 37 Cb 0.69 -0.16 -0.01 0.00 1.01 0.00 0.00 36.73 38.26 3hea h TYR 37 CO -0.00 1.03 -0.44 1.96 -1.05 0.00 0.00 178.16 179.66 3hea h GLN 38 N 0.53 0.71 -0.25 4.88 7.50 -1.54 -1.43 115.11 125.51 3hea h GLN 38 Ca 0.02 -0.39 -0.02 0.00 0.50 0.00 0.00 58.65 58.77 3hea h GLN 38 Cb 1.04 0.02 -0.01 0.00 0.05 0.00 0.00 27.48 28.58 3hea h GLN 38 CO 0.10 1.01 0.08 0.52 -1.50 0.00 0.00 178.83 179.04 3hea h MET 39 N 0.57 0.38 -0.47 1.46 2.86 -1.08 -1.36 114.93 117.30 3hea h MET 39 Ca 0.04 -0.08 -0.03 0.00 -2.06 0.00 0.00 59.70 57.57 3hea h MET 39 Cb 0.99 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.57 3hea h MET 39 CO 0.09 0.45 0.18 1.49 1.06 0.00 0.00 176.91 180.19 3hea h GLU 40 N 0.23 0.70 -0.09 1.72 4.22 -1.29 0.14 114.58 120.21 3hea h GLU 40 Ca 0.08 -0.13 0.02 0.00 0.08 0.00 0.00 59.36 59.41 3hea h GLU 40 Cb 0.23 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 3hea h GLU 40 CO -0.00 0.63 -0.05 -0.92 -2.18 0.00 0.00 179.01 176.49 3hea h TYR 41 N 0.61 -0.11 -0.00 0.92 3.20 -1.17 -1.03 116.97 119.39 3hea h TYR 41 Ca 0.16 0.01 -0.25 0.00 3.14 0.00 0.00 58.73 61.78 3hea h TYR 41 Cb 0.20 0.06 0.01 0.00 1.54 0.00 0.00 36.73 38.54 3hea h TYR 41 CO 0.00 -0.08 -1.00 -0.07 -1.64 0.00 0.00 178.16 175.37 3hea h LEU 42 N -0.04 0.78 -1.09 2.82 3.38 -1.18 -3.16 115.31 116.81 3hea h LEU 42 Ca 0.05 -0.62 -0.04 0.00 0.09 0.00 0.00 57.88 57.36 3hea h LEU 42 Cb 0.12 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 3hea h LEU 42 CO -0.12 1.42 -0.19 0.28 0.09 0.00 0.00 178.44 179.92 3hea h SER 43 N 0.34 0.00 0.14 -0.43 0.02 -0.67 -0.75 113.55 112.20 3hea h SER 43 Ca -0.11 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.84 3hea h SER 43 Cb 1.65 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.19 3hea h SER 43 CO 0.19 0.19 -0.02 -1.20 -1.14 0.00 0.00 176.83 174.84 3hea n SER 44 N -3.33 0.39 -0.94 3.07 7.64 -0.40 -3.78 113.62 116.26 3hea n SER 44 Ca 0.00 -0.90 0.03 0.00 1.01 0.00 0.00 58.87 59.02 3hea n SER 44 Cb 0.42 -0.05 0.15 0.00 -1.01 0.00 0.00 64.21 63.73 3hea n SER 44 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3hea n ARG 45 N -0.80 1.39 -0.42 1.43 1.74 -0.34 -4.99 116.66 114.67 3hea n ARG 45 Ca 0.20 -3.09 0.00 0.00 -0.77 0.00 0.00 57.85 54.19 3hea n ARG 45 Cb 0.21 -1.31 0.00 0.00 -1.02 0.00 0.00 32.46 30.33 3hea n ARG 45 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hea n GLY 46 N -0.73 0.77 3.55 -0.13 0.00 -1.13 -5.00 105.19 102.53 3hea n GLY 46 Ca 0.18 -0.15 -0.25 0.00 0.00 0.00 0.00 46.02 45.80 3hea n GLY 46 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hea s TYR 47 N -2.00 2.52 -0.24 1.61 2.02 -0.90 -4.32 117.35 116.03 3hea s TYR 47 Ca 0.00 -0.27 -0.11 0.00 -0.37 0.00 0.00 57.07 56.32 3hea s TYR 47 Cb 0.00 -1.16 -0.05 0.00 -0.40 0.00 0.00 41.96 40.35 3hea s TYR 47 CO 0.00 0.60 0.19 0.50 -1.57 0.00 0.00 175.55 175.27 3hea s ARG 48 N -3.26 4.07 -0.07 -0.62 3.52 -0.58 -3.74 118.95 118.27 3hea s ARG 48 Ca 0.28 -0.23 0.03 0.00 -0.13 0.00 0.00 55.73 55.68 3hea s ARG 48 Cb -0.07 -3.55 -0.02 0.00 -1.56 0.00 0.00 34.95 29.75 3hea s ARG 48 CO 0.16 0.03 -0.16 0.95 -0.81 0.00 0.00 175.30 175.47 3hea s THR 49 N 1.14 2.87 -0.03 4.11 -4.23 0.47 0.03 115.64 120.00 3hea s THR 49 Ca 0.09 -0.78 0.02 0.00 -1.18 0.00 0.00 61.69 59.83 3hea s THR 49 Cb -0.14 -2.13 0.01 0.00 1.34 0.00 0.00 72.50 71.59 3hea s THR 49 CO 0.05 0.57 -0.07 -0.63 -0.54 0.00 0.00 174.62 174.01 3hea s ILE 50 N -0.40 0.63 -0.08 2.99 1.01 -0.02 -0.09 121.20 125.25 3hea s ILE 50 Ca 0.04 -0.24 -0.06 0.00 0.00 0.00 0.00 60.65 60.40 3hea s ILE 50 Cb -0.12 -0.60 0.03 0.00 0.01 0.00 0.00 42.46 41.78 3hea s ILE 50 CO 0.02 0.22 0.21 0.00 0.00 0.00 0.00 174.94 175.39 3hea s ALA 51 N 0.51 -0.49 0.24 9.38 0.00 -0.54 -0.37 121.76 130.49 3hea s ALA 51 Ca -0.07 0.73 0.09 0.00 0.00 0.00 0.00 51.96 52.70 3hea s ALA 51 Cb -0.11 -0.45 -0.04 0.00 0.00 0.00 0.00 23.12 22.52 3hea s ALA 51 CO 0.00 -0.14 0.01 -0.59 0.00 0.00 0.00 175.76 175.05 3hea s PHE 52 N 0.62 2.76 -0.24 0.00 -0.71 -1.25 -0.15 117.98 119.01 3hea s PHE 52 Ca -0.04 -0.20 -0.19 0.00 -1.04 0.00 0.00 56.93 55.47 3hea s PHE 52 Cb -0.06 -1.25 -0.03 0.00 -1.21 0.00 0.00 43.02 40.48 3hea s PHE 52 CO -0.03 0.59 0.54 -0.51 -1.34 0.00 0.00 175.22 174.46 3hea s ASP 53 N -3.53 6.50 0.55 1.98 1.01 0.01 -3.75 116.67 119.44 3hea s ASP 53 Ca 0.31 0.61 -0.21 0.00 0.71 0.00 0.00 52.55 53.96 3hea s ASP 53 Cb -0.07 -2.30 -0.06 0.00 1.01 0.00 0.00 42.92 41.50 3hea s ASP 53 CO 0.20 -0.27 1.13 -1.14 0.21 0.00 0.00 175.17 175.30 3hea n ARG 54 N 5.34 1.30 -1.54 8.23 0.63 -1.26 -4.38 116.66 124.98 3hea n ARG 54 Ca -0.04 0.48 -0.52 0.00 -0.92 0.00 0.00 57.85 56.86 3hea n ARG 54 Cb 0.50 -2.31 -0.05 0.00 0.45 0.00 0.00 32.46 31.04 3hea n ARG 54 CO 0.00 0.00 0.00 2.89 -2.51 0.00 0.00 177.63 178.01 3hea n ARG 55 N -0.81 0.73 -0.53 -0.14 1.85 -1.26 -0.81 116.66 115.69 3hea n ARG 55 Ca 0.12 0.26 0.00 0.00 -1.00 0.00 0.00 57.85 57.23 3hea n ARG 55 Cb 0.45 -1.75 0.00 0.00 -1.05 0.00 0.00 32.46 30.11 3hea n ARG 55 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3hea n GLY 56 N 2.00 0.85 3.28 2.89 0.00 0.60 -4.96 105.19 109.85 3hea n GLY 56 Ca 0.17 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.01 3hea n GLY 56 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hea s PHE 57 N -3.09 1.53 0.00 1.61 0.40 0.01 -0.13 117.98 118.30 3hea s PHE 57 Ca 0.00 -0.57 0.00 0.00 -0.60 0.00 0.00 56.93 55.76 3hea s PHE 57 Cb 0.00 -0.77 0.00 0.00 0.51 0.00 0.00 43.02 42.76 3hea s PHE 57 CO 0.00 0.22 0.00 0.41 0.70 0.00 0.00 175.22 176.55 3hea n GLY 58 N 0.21 3.29 0.69 4.36 0.00 -1.26 -1.29 105.19 111.19 3hea n GLY 58 Ca -0.13 0.11 0.12 0.00 0.00 0.00 0.00 46.02 46.12 3hea n GLY 58 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hea n ARG 59 N 14.00 1.93 -1.87 1.61 1.74 -1.26 -4.65 116.66 128.16 3hea n ARG 59 Ca 0.00 -1.38 -0.30 0.00 -0.77 0.00 0.00 57.85 55.40 3hea n ARG 59 Cb 0.00 -1.45 0.05 0.00 -1.02 0.00 0.00 32.46 30.04 3hea n ARG 59 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 3hea s SER 60 N -1.72 5.45 0.92 0.55 0.01 -0.41 -4.60 113.70 113.90 3hea s SER 60 Ca 0.34 1.16 -0.11 0.00 1.31 0.00 0.00 55.95 58.65 3hea s SER 60 Cb 0.20 -1.96 0.15 0.00 0.21 0.00 0.00 66.02 64.61 3hea s SER 60 CO 0.29 -1.34 1.11 -1.81 0.41 0.00 0.00 173.24 171.90 3hea s ASP 61 N -4.33 3.03 -0.66 2.44 1.01 0.07 -4.54 116.67 113.69 3hea s ASP 61 Ca 0.58 1.90 0.06 0.00 0.71 0.00 0.00 52.55 55.79 3hea s ASP 61 Cb -0.11 -2.45 0.24 0.00 1.01 0.00 0.00 42.92 41.60 3hea s ASP 61 CO 0.52 -2.98 0.72 0.00 0.21 0.00 0.00 175.17 173.63 3hea n GLN 62 N -4.14 2.45 -2.14 8.23 6.02 -1.26 -0.29 117.38 126.25 3hea n GLN 62 Ca 0.09 -4.65 -0.38 0.00 -0.01 0.00 0.00 57.00 52.05 3hea n GLN 62 Cb 0.53 -2.27 -0.00 0.00 1.02 0.00 0.00 30.24 29.52 3hea n GLN 62 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 3hea s PRO 63 N -2.33 3.76 0.24 -1.09 0.04 -1.26 -4.94 135.00 129.42 3hea s PRO 63 Ca 0.38 1.95 0.05 0.00 0.04 0.00 0.00 61.00 63.42 3hea s PRO 63 Cb 0.12 -2.52 0.25 0.00 0.04 0.00 0.00 34.50 32.39 3hea s PRO 63 CO -0.03 -0.60 1.55 2.35 0.04 0.00 0.00 177.00 180.31 3hea h TRP 64 N 2.22 0.27 -1.86 0.56 2.91 -2.00 -3.45 115.95 114.59 3hea h TRP 64 Ca -0.50 -0.10 -0.51 0.00 1.13 0.00 0.00 58.89 58.91 3hea h TRP 64 Cb 1.25 -0.05 -0.05 0.00 -0.51 0.00 0.00 29.16 29.81 3hea h TRP 64 CO 0.52 0.77 -0.47 0.95 -1.03 0.00 0.00 178.44 179.18 3hea s THR 65 N -3.70 3.43 0.00 2.65 -4.23 -1.26 -4.70 115.64 107.83 3hea s THR 65 Ca -0.04 -1.45 0.00 0.00 -1.18 0.00 0.00 61.69 59.03 3hea s THR 65 Cb 0.12 -3.14 0.00 0.00 1.34 0.00 0.00 72.50 70.82 3hea s THR 65 CO 0.80 -0.18 0.00 0.61 -0.54 0.00 0.00 174.62 175.31 3hea n GLY 66 N -1.31 0.41 2.67 3.99 0.00 -1.26 -4.95 105.19 104.74 3hea n GLY 66 Ca -0.02 -0.86 -0.41 0.00 0.00 0.00 0.00 46.02 44.72 3hea n GLY 66 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3hea n ASN 67 N 1.57 6.14 -3.85 1.61 3.02 -1.26 -4.51 115.26 117.98 3hea n ASN 67 Ca 0.00 -3.01 -0.09 0.00 -0.03 0.00 0.00 54.58 51.45 3hea n ASN 67 Cb 0.00 -1.49 -0.06 0.00 -0.61 0.00 0.00 39.78 37.62 3hea n ASN 67 CO 0.00 0.00 0.00 1.51 -2.62 0.00 0.00 177.26 176.15 3hea s ASP 68 N 1.26 0.01 0.32 6.41 1.47 -1.26 -4.59 116.67 120.28 3hea s ASP 68 Ca 0.48 -0.66 0.02 0.00 1.18 0.00 0.00 52.55 53.57 3hea s ASP 68 Cb 0.14 0.41 0.53 0.00 -0.34 0.00 0.00 42.92 43.66 3hea s ASP 68 CO -0.05 -0.83 1.87 1.88 0.68 0.00 0.00 175.17 178.72 3hea h TYR 69 N 2.57 0.68 -0.73 2.11 0.05 -1.93 -0.97 116.97 118.75 3hea h TYR 69 Ca -0.33 -0.06 -0.01 0.00 0.05 0.00 0.00 58.73 58.39 3hea h TYR 69 Cb 1.22 -0.20 -0.04 0.00 1.01 0.00 0.00 36.73 38.73 3hea h TYR 69 CO 0.39 0.60 0.43 -0.44 -1.05 0.00 0.00 178.16 178.09 3hea h ASP 70 N 0.64 0.89 -0.38 3.88 3.32 -1.96 0.35 116.42 123.16 3hea h ASP 70 Ca 0.14 -0.07 -0.11 0.00 0.02 0.00 0.00 57.03 57.02 3hea h ASP 70 Cb 0.28 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 3hea h ASP 70 CO 0.00 0.70 -0.18 0.74 -1.72 0.00 0.00 179.24 178.78 3hea h THR 71 N 1.00 1.28 -0.30 0.35 2.02 -1.71 -1.83 112.91 113.73 3hea h THR 71 Ca 0.26 -1.30 0.01 0.00 0.77 0.00 0.00 66.41 66.15 3hea h THR 71 Cb -0.02 1.31 -0.02 0.00 -1.74 0.00 0.00 68.15 67.69 3hea h THR 71 CO -0.05 0.43 0.18 -0.26 0.37 0.00 0.00 175.52 176.19 3hea h PHE 72 N 0.59 0.33 -0.75 3.16 0.04 -0.94 0.12 116.94 119.49 3hea h PHE 72 Ca 0.09 0.01 0.06 0.00 2.80 0.00 0.00 57.97 60.92 3hea h PHE 72 Cb 0.72 -0.11 -0.06 0.00 2.20 0.00 0.00 35.95 38.71 3hea h PHE 72 CO 0.06 0.20 0.45 0.00 -0.60 0.00 0.00 178.31 178.42 3hea h ALA 73 N 1.13 1.02 0.00 2.45 0.00 -0.90 -1.70 119.26 121.25 3hea h ALA 73 Ca 0.11 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.93 3hea h ALA 73 Cb -0.01 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 3hea h ALA 73 CO -0.05 0.17 -0.45 -0.44 0.00 0.00 0.00 179.25 178.48 3hea h ASP 74 N 0.83 0.00 -0.32 0.00 3.32 -0.80 -0.68 116.42 118.76 3hea h ASP 74 Ca 0.33 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.35 3hea h ASP 74 Cb 0.16 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 3hea h ASP 74 CO -0.17 0.45 0.10 0.44 -1.72 0.00 0.00 179.24 178.34 3hea h ASP 75 N 0.00 0.47 -0.71 6.45 3.32 -0.26 -0.84 116.42 124.84 3hea h ASP 75 Ca -0.00 -0.20 -0.02 0.00 0.02 0.00 0.00 57.03 56.82 3hea h ASP 75 Cb 0.92 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 40.31 3hea h ASP 75 CO 0.06 0.55 0.36 0.40 -1.72 0.00 0.00 179.24 178.89 3hea h ILE 76 N 0.36 1.23 -0.60 0.35 2.04 -0.96 -1.49 117.51 118.45 3hea h ILE 76 Ca 0.10 -0.62 0.04 0.00 1.00 0.00 0.00 64.86 65.38 3hea h ILE 76 Cb 0.24 0.33 -0.04 0.00 -0.74 0.00 0.00 36.82 36.61 3hea h ILE 76 CO -0.00 0.26 0.35 0.00 0.00 0.00 0.00 178.15 178.76 3hea h ALA 77 N 1.18 0.78 -0.66 1.87 0.00 -0.96 -0.87 119.26 120.59 3hea h ALA 77 Ca 0.25 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.10 3hea h ALA 77 Cb 0.09 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 3hea h ALA 77 CO -0.03 0.06 0.20 0.37 0.00 0.00 0.00 179.25 179.85 3hea h GLN 78 N 0.68 1.01 -0.38 0.00 4.15 -0.67 -0.99 115.11 118.91 3hea h GLN 78 Ca 0.25 -0.21 -0.03 0.00 0.77 0.00 0.00 58.65 59.43 3hea h GLN 78 Cb 0.07 -0.15 -0.02 0.00 0.21 0.00 0.00 27.48 27.59 3hea h GLN 78 CO -0.12 0.87 0.10 1.25 -1.93 0.00 0.00 178.83 179.00 3hea h LEU 79 N 0.98 0.57 -0.88 -2.39 5.85 -0.82 0.33 115.31 118.95 3hea h LEU 79 Ca 0.21 -0.22 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 3hea h LEU 79 Cb 0.29 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.13 3hea h LEU 79 CO -0.01 0.64 0.51 0.40 -0.34 0.00 0.00 178.44 179.65 3hea h ILE 80 N 0.46 1.25 -0.24 4.05 2.04 -0.87 -1.25 117.51 122.95 3hea h ILE 80 Ca 0.12 -0.56 -0.20 0.00 1.00 0.00 0.00 64.86 65.22 3hea h ILE 80 Cb 0.29 0.03 0.00 0.00 -0.74 0.00 0.00 36.82 36.40 3hea h ILE 80 CO -0.00 0.26 -0.63 -0.33 0.00 0.00 0.00 178.15 177.45 3hea h GLU 81 N 1.21 0.84 -0.74 2.37 4.39 -1.10 -0.19 114.58 121.36 3hea h GLU 81 Ca 0.31 -0.58 0.07 0.00 0.34 0.00 0.00 59.36 59.50 3hea h GLU 81 Cb -0.03 0.09 -0.06 0.00 -0.10 0.00 0.00 28.75 28.65 3hea h GLU 81 CO -0.06 1.21 0.42 1.25 -1.16 0.00 0.00 179.01 180.67 3hea h HIS 82 N 0.62 0.76 -0.07 4.33 2.76 -0.58 -1.55 115.15 121.41 3hea h HIS 82 Ca -0.01 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.19 3hea h HIS 82 Cb 1.25 -0.23 0.00 0.00 1.55 0.00 0.00 27.41 29.98 3hea h HIS 82 CO 0.08 0.34 0.00 1.28 -1.30 0.00 0.00 177.93 178.33 3hea n LEU 83 N -4.76 2.20 -4.02 0.26 4.77 -0.50 -4.96 117.00 109.99 3hea n LEU 83 Ca 0.10 -0.78 -0.31 0.00 -0.03 0.00 0.00 56.01 54.99 3hea n LEU 83 Cb 0.21 -0.03 -0.02 0.00 -2.33 0.00 0.00 43.42 41.24 3hea n LEU 83 CO 0.28 0.39 -0.26 -0.67 -1.33 0.00 0.00 177.39 175.81 3hea n ASP 84 N 0.71 -1.44 -4.77 -1.43 2.03 -0.23 -4.91 116.55 106.51 3hea n ASP 84 Ca 0.17 -1.12 -0.38 0.00 0.52 0.00 0.00 54.79 53.98 3hea n ASP 84 Cb 0.46 -2.54 -0.04 0.00 -0.72 0.00 0.00 41.12 38.28 3hea n ASP 84 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3hea s LEU 85 N -7.07 4.27 0.02 -2.67 1.43 -0.35 -5.03 118.68 109.29 3hea s LEU 85 Ca 0.16 2.11 0.01 0.00 -1.03 0.00 0.00 54.13 55.38 3hea s LEU 85 Cb -0.07 -4.01 -0.02 0.00 0.03 0.00 0.00 46.19 42.12 3hea s LEU 85 CO 0.92 -0.39 -0.04 -0.54 0.23 0.00 0.00 176.35 176.53 3hea s LYS 86 N -2.16 0.35 -1.47 1.70 1.02 -1.26 -4.81 119.74 113.11 3hea s LYS 86 Ca 0.54 -0.50 -0.08 0.00 0.02 0.00 0.00 55.97 55.94 3hea s LYS 86 Cb -0.25 -0.11 0.03 0.00 -0.52 0.00 0.00 37.83 36.98 3hea s LYS 86 CO 0.32 0.01 0.82 0.39 -0.92 0.00 0.00 175.35 175.97 3hea n GLU 87 N 1.98 -5.68 -2.56 1.68 1.02 -0.74 -4.56 120.64 111.78 3hea n GLU 87 Ca -0.20 0.78 -0.41 0.00 -0.02 0.00 0.00 57.16 57.31 3hea n GLU 87 Cb 0.56 -5.68 -0.04 0.00 -0.02 0.00 0.00 31.44 26.25 3hea n GLU 87 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3hea s VAL 88 N -3.21 3.88 -0.26 2.62 1.01 0.12 -4.27 120.40 120.30 3hea s VAL 88 Ca 0.46 1.70 -0.12 0.00 0.00 0.00 0.00 61.98 64.02 3hea s VAL 88 Cb -0.21 -4.09 -0.05 0.00 0.00 0.00 0.00 36.38 32.03 3hea s VAL 88 CO 0.57 0.33 0.23 -0.89 0.00 0.00 0.00 175.10 175.34 3hea s THR 89 N -0.54 5.29 -0.13 3.92 2.01 -0.53 -0.67 115.64 124.99 3hea s THR 89 Ca 0.47 0.30 -0.16 0.00 0.31 0.00 0.00 61.69 62.61 3hea s THR 89 Cb -0.29 -3.57 -0.04 0.00 0.01 0.00 0.00 72.50 68.61 3hea s THR 89 CO 0.35 0.26 0.39 -0.76 -0.69 0.00 0.00 174.62 174.18 3hea s LEU 90 N 1.55 4.27 -0.14 4.42 1.43 -0.64 -0.42 118.68 129.16 3hea s LEU 90 Ca 0.10 0.68 -0.00 0.00 -1.03 0.00 0.00 54.13 53.88 3hea s LEU 90 Cb -0.15 -2.55 0.03 0.00 0.03 0.00 0.00 46.19 43.55 3hea s LEU 90 CO 0.08 0.06 -0.10 -0.69 0.23 0.00 0.00 176.35 175.93 3hea s VAL 91 N 0.49 1.28 -0.05 -1.59 1.01 0.51 -0.25 120.40 121.81 3hea s VAL 91 Ca 0.22 -0.49 0.05 0.00 0.00 0.00 0.00 61.98 61.75 3hea s VAL 91 Cb -0.14 -1.27 -0.01 0.00 0.00 0.00 0.00 36.38 34.96 3hea s VAL 91 CO 0.07 0.37 -0.20 -0.83 0.00 0.00 0.00 175.10 174.52 3hea s GLY 92 N 1.60 1.06 -0.12 4.51 0.00 -0.54 0.25 107.32 114.08 3hea s GLY 92 Ca 0.04 -0.83 -0.01 0.00 0.00 0.00 0.00 44.72 43.93 3hea s GLY 92 CO -0.09 -0.48 -0.07 -0.12 0.00 0.00 0.00 173.10 172.33 3hea s PHE 93 N -0.06 2.93 0.00 1.90 5.36 -0.59 -0.67 117.98 126.86 3hea s PHE 93 Ca -0.03 -0.27 0.00 0.00 -0.96 0.00 0.00 56.93 55.67 3hea s PHE 93 Cb -0.12 -1.84 0.00 0.00 -0.34 0.00 0.00 43.02 40.72 3hea s PHE 93 CO 0.02 0.05 0.00 0.45 -1.46 0.00 0.00 175.22 174.28 3hea n SER 94 N 3.06 0.00 0.31 6.13 2.88 -0.34 0.16 113.62 125.82 3hea n SER 94 Ca -0.18 0.00 0.19 0.00 -1.33 0.00 0.00 58.87 57.56 3hea n SER 94 Cb 0.53 0.00 1.01 0.00 -0.75 0.00 0.00 64.21 65.00 3hea n SER 94 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3hea h MET 95 N 0.00 0.00 0.00 -1.46 -0.00 -1.85 -1.15 114.93 110.46 3hea h MET 95 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 3hea h MET 95 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.60 3hea h MET 95 CO 0.00 0.02 0.00 0.78 -0.00 0.00 0.00 176.91 177.71 3hea h GLY 96 N 0.54 0.00 1.64 -3.00 0.00 -0.28 -1.72 103.07 100.26 3hea h GLY 96 Ca -0.00 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.27 3hea h GLY 96 CO 0.00 0.00 -0.08 -1.33 0.00 0.00 0.00 176.54 175.13 3hea h GLY 97 N 1.88 0.47 0.98 4.60 0.00 -1.28 -3.18 103.07 106.54 3hea h GLY 97 Ca 0.00 -0.30 -0.11 0.00 0.00 0.00 0.00 47.33 46.92 3hea h GLY 97 CO 0.00 0.28 -0.22 -1.33 0.00 0.00 0.00 176.54 175.27 3hea h GLY 98 N 0.85 0.81 2.00 4.60 0.00 -1.47 -2.43 103.07 107.43 3hea h GLY 98 Ca 0.08 -0.76 -0.14 0.00 0.00 0.00 0.00 47.33 46.51 3hea h GLY 98 CO 0.02 0.69 -0.68 1.29 0.00 0.00 0.00 176.54 177.86 3hea h ASP 99 N 0.52 0.00 0.11 0.19 3.04 -1.62 0.42 116.42 119.07 3hea h ASP 99 Ca 0.07 0.00 -0.16 0.00 -3.24 0.00 0.00 57.03 53.70 3hea h ASP 99 Cb 0.77 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 39.05 3hea h ASP 99 CO 0.06 0.68 -0.57 -0.37 -2.04 0.00 0.00 179.24 177.01 3hea h VAL 100 N 0.00 1.34 -0.29 4.15 -1.51 -1.61 0.35 116.25 118.67 3hea h VAL 100 Ca -0.01 -1.84 -0.04 0.00 -1.23 0.00 0.00 66.70 63.58 3hea h VAL 100 Cb 1.37 1.83 -0.01 0.00 -2.13 0.00 0.00 31.29 32.35 3hea h VAL 100 CO 0.09 0.57 0.01 0.00 -1.23 0.00 0.00 177.57 177.00 3hea h ALA 101 N 1.02 0.39 0.00 5.19 0.00 -1.26 -2.63 119.26 121.96 3hea h ALA 101 Ca 0.00 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.63 3hea h ALA 101 Cb 1.10 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 3hea h ALA 101 CO 0.10 0.12 -0.31 -0.09 0.00 0.00 0.00 179.25 179.08 3hea h ARG 102 N 0.30 0.00 0.05 0.00 9.65 -0.89 -1.25 114.38 122.24 3hea h ARG 102 Ca 0.08 0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 58.96 3hea h ARG 102 Cb 0.41 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.99 3hea h ARG 102 CO 0.01 0.31 -0.02 -0.92 2.80 0.00 0.00 179.97 182.15 3hea h TYR 103 N 0.00 -0.06 -0.52 2.20 3.20 -0.78 -0.93 116.97 120.09 3hea h TYR 103 Ca -0.00 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.88 3hea h TYR 103 Cb 0.76 0.02 -0.03 0.00 1.54 0.00 0.00 36.73 39.02 3hea h TYR 103 CO 0.00 0.13 0.33 0.82 -1.64 0.00 0.00 178.16 177.80 3hea h ILE 104 N -0.23 1.10 -0.86 1.81 2.04 -1.13 0.11 117.51 120.34 3hea h ILE 104 Ca -0.01 -0.23 0.08 0.00 1.00 0.00 0.00 64.86 65.71 3hea h ILE 104 Cb 0.21 0.37 -0.07 0.00 -0.74 0.00 0.00 36.82 36.59 3hea h ILE 104 CO 0.01 0.12 0.52 0.00 0.00 0.00 0.00 178.15 178.80 3hea h ALA 105 N 1.21 1.21 0.00 1.87 0.00 -1.15 0.48 119.26 122.88 3hea h ALA 105 Ca 0.20 0.01 -0.24 0.00 0.00 0.00 0.00 54.91 54.89 3hea h ALA 105 Cb -0.03 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.53 3hea h ALA 105 CO -0.07 0.19 -1.41 0.00 0.00 0.00 0.00 179.25 177.97 3hea h ARG 106 N 0.89 0.00 0.00 0.00 3.08 -0.82 -3.39 114.38 114.14 3hea h ARG 106 Ca 0.40 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.45 3hea h ARG 106 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.34 3hea h ARG 106 CO -0.21 0.56 0.00 0.72 -1.07 0.00 0.00 179.97 179.97 3hea n HIS 107 N -3.09 0.00 -1.01 3.04 8.25 0.33 -5.09 115.22 117.65 3hea n HIS 107 Ca -0.10 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.36 3hea n HIS 107 Cb 0.96 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 32.07 3hea n HIS 107 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3hea n GLY 108 N 0.31 -2.20 0.34 -1.41 0.00 0.17 -4.69 105.19 97.71 3hea n GLY 108 Ca 0.00 -1.49 0.09 0.00 0.00 0.00 0.00 46.02 44.61 3hea n GLY 108 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3hea n SER 109 N -0.70 2.83 -0.19 1.61 3.41 -1.26 -4.48 113.62 114.84 3hea n SER 109 Ca 0.00 -2.97 0.17 0.00 -0.26 0.00 0.00 58.87 55.82 3hea n SER 109 Cb 0.03 -0.43 0.52 0.00 -0.26 0.00 0.00 64.21 64.06 3hea n SER 109 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hea h ALA 110 N 0.63 2.18 -0.13 7.33 0.00 -1.98 -0.23 119.26 127.06 3hea h ALA 110 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3hea h ALA 110 Cb 1.10 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.85 3hea h ALA 110 CO 0.07 -0.41 0.00 0.54 0.00 0.00 0.00 179.25 179.45 3hea n ARG 111 N -4.48 2.13 -4.27 0.00 1.74 -1.26 -4.73 116.66 105.79 3hea n ARG 111 Ca 0.16 -1.67 -0.34 0.00 -0.77 0.00 0.00 57.85 55.23 3hea n ARG 111 Cb 0.61 -1.47 -0.12 0.00 -1.02 0.00 0.00 32.46 30.46 3hea n ARG 111 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3hea s VAL 112 N -1.86 3.96 -0.11 1.55 1.01 -0.10 -0.70 120.40 124.16 3hea s VAL 112 Ca 0.33 -0.33 0.15 0.00 0.00 0.00 0.00 61.98 62.14 3hea s VAL 112 Cb 0.20 -2.76 -0.22 0.00 0.00 0.00 0.00 36.38 33.60 3hea s VAL 112 CO 0.31 0.47 0.50 0.00 0.00 0.00 0.00 175.10 176.37 3hea n ALA 113 N 3.76 1.63 -3.68 5.51 0.00 0.15 -4.80 120.51 123.09 3hea n ALA 113 Ca -0.17 -0.90 -0.02 0.00 0.00 0.00 0.00 53.44 52.35 3hea n ALA 113 Cb 0.52 -0.65 -0.01 0.00 0.00 0.00 0.00 19.45 19.31 3hea n ALA 113 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3hea s GLY 114 N -5.15 -0.32 -0.02 0.00 0.00 -1.22 -4.24 107.32 96.39 3hea s GLY 114 Ca -0.06 0.45 0.01 0.00 0.00 0.00 0.00 44.72 45.11 3hea s GLY 114 CO 0.83 0.09 -0.01 -2.27 0.00 0.00 0.00 173.10 171.74 3hea s LEU 115 N -2.89 1.56 -0.10 0.66 2.96 -0.18 -1.62 118.68 119.06 3hea s LEU 115 Ca 0.12 -0.03 0.02 0.00 -0.22 0.00 0.00 54.13 54.03 3hea s LEU 115 Cb 0.01 -0.16 0.01 0.00 0.50 0.00 0.00 46.19 46.55 3hea s LEU 115 CO -0.01 -0.04 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.11 3hea s VAL 116 N 0.51 1.63 -0.26 1.68 1.01 0.65 -0.71 120.40 124.92 3hea s VAL 116 Ca -0.05 -0.74 -0.00 0.00 0.00 0.00 0.00 61.98 61.19 3hea s VAL 116 Cb -0.08 -1.46 0.04 0.00 0.00 0.00 0.00 36.38 34.89 3hea s VAL 116 CO -0.01 0.47 -0.07 -0.76 0.00 0.00 0.00 175.10 174.72 3hea s LEU 117 N 0.74 3.34 -0.25 3.92 1.43 -0.12 -1.47 118.68 126.27 3hea s LEU 117 Ca -0.11 -1.10 -0.06 0.00 -1.03 0.00 0.00 54.13 51.82 3hea s LEU 117 Cb -0.16 -1.62 -0.01 0.00 0.03 0.00 0.00 46.19 44.43 3hea s LEU 117 CO 0.02 -0.17 0.02 -0.76 0.23 0.00 0.00 176.35 175.70 3hea s LEU 118 N 1.24 3.31 -1.83 1.79 1.43 0.16 -1.07 118.68 123.70 3hea s LEU 118 Ca -0.03 -0.41 -0.21 0.00 -1.03 0.00 0.00 54.13 52.45 3hea s LEU 118 Cb -0.18 -1.83 0.20 0.00 0.03 0.00 0.00 46.19 44.41 3hea s LEU 118 CO -0.05 -0.07 0.54 0.61 0.23 0.00 0.00 176.35 177.62 3hea n GLY 119 N 4.85 -0.37 3.87 -3.19 0.00 -0.02 -1.20 105.19 109.13 3hea n GLY 119 Ca -0.17 0.09 -0.31 0.00 0.00 0.00 0.00 46.02 45.64 3hea n GLY 119 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hea s ALA 120 N -3.39 3.24 -1.35 4.61 0.00 -1.26 -3.13 121.76 120.48 3hea s ALA 120 Ca 0.73 -0.12 0.27 0.00 0.00 0.00 0.00 51.96 52.84 3hea s ALA 120 Cb -0.42 -2.86 1.33 0.00 0.00 0.00 0.00 23.12 21.17 3hea s ALA 120 CO 1.02 -0.21 1.92 1.33 0.00 0.00 0.00 175.76 179.81 3hea n VAL 121 N -1.70 0.13 -2.21 0.00 0.24 -0.97 -4.26 118.33 109.55 3hea n VAL 121 Ca 0.04 0.03 -0.35 0.00 -2.04 0.00 0.00 64.34 62.02 3hea n VAL 121 Cb 0.54 -0.58 0.01 0.00 -1.47 0.00 0.00 33.84 32.34 3hea n VAL 121 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 3hea s THR 122 N -2.65 3.06 -0.90 3.34 -4.23 -1.26 -2.38 115.64 110.62 3hea s THR 122 Ca 0.23 0.67 0.25 0.00 -1.18 0.00 0.00 61.69 61.67 3hea s THR 122 Cb 0.18 -3.27 0.06 0.00 1.34 0.00 0.00 72.50 70.80 3hea s THR 122 CO 0.43 -0.14 1.47 -0.81 -0.54 0.00 0.00 174.62 175.03 3hea n PRO 123 N -1.31 0.08 -3.64 3.99 -0.04 -1.26 -3.58 135.00 129.24 3hea n PRO 123 Ca 0.12 0.03 -0.09 0.00 -0.04 0.00 0.00 63.50 63.51 3hea n PRO 123 Cb 0.51 -1.55 -0.07 0.00 -0.04 0.00 0.00 33.50 32.34 3hea n PRO 123 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 3hea s ILE 124 N -3.04 0.00 -0.04 0.52 2.07 -1.00 0.52 121.20 120.23 3hea s ILE 124 Ca 0.10 0.00 -0.05 0.00 -1.41 0.00 0.00 60.65 59.29 3hea s ILE 124 Cb 0.17 -1.00 -0.02 0.00 0.13 0.00 0.00 42.46 41.74 3hea s ILE 124 CO 0.68 0.00 -0.11 0.33 -1.91 0.00 0.00 174.94 173.93 3hea n PHE 125 N 2.74 0.00 -1.90 3.50 -0.00 -1.22 -4.65 117.46 115.93 3hea n PHE 125 Ca -0.14 0.00 -0.29 0.00 -0.00 0.00 0.00 57.45 57.01 3hea n PHE 125 Cb 0.56 -0.15 0.07 0.00 -0.00 0.00 0.00 39.48 39.96 3hea n PHE 125 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.76 176.96 3hea s GLY 126 N -3.78 1.61 0.36 7.13 0.00 -0.66 -1.51 107.32 110.47 3hea s GLY 126 Ca -0.09 -0.51 -0.28 0.00 0.00 0.00 0.00 44.72 43.84 3hea s GLY 126 CO 0.13 -0.08 1.48 1.20 0.00 0.00 0.00 173.10 175.83 3hea s GLN 127 N -5.46 4.13 0.34 2.90 -0.21 0.18 -4.42 119.66 117.11 3hea s GLN 127 Ca 0.60 2.55 0.06 0.00 0.02 0.00 0.00 55.36 58.58 3hea s GLN 127 Cb -0.11 -2.98 -0.07 0.00 1.00 0.00 0.00 33.01 30.85 3hea s GLN 127 CO 0.50 -0.52 0.01 0.15 -2.12 0.00 0.00 175.29 173.31 3hea s LYS 128 N -1.90 1.72 0.30 2.91 -0.14 -1.07 -4.87 119.74 116.70 3hea s LYS 128 Ca 0.54 -1.94 0.01 0.00 -1.36 0.00 0.00 55.97 53.22 3hea s LYS 128 Cb -0.46 -1.21 0.55 0.00 -1.68 0.00 0.00 37.83 35.03 3hea s LYS 128 CO 0.61 -0.07 1.90 -1.35 -0.76 0.00 0.00 175.35 175.68 3hea h PRO 129 N 2.05 0.97 -0.60 -1.68 0.11 -2.01 -0.07 132.00 130.77 3hea h PRO 129 Ca -0.42 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3hea h PRO 129 Cb 1.24 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 32.13 3hea h PRO 129 CO 0.72 0.64 0.00 -0.40 -0.21 0.00 0.00 178.00 178.76 3hea n ASP 130 N -4.51 3.52 -3.11 -2.05 5.75 -1.26 -4.37 116.55 110.53 3hea n ASP 130 Ca 0.14 -2.27 -0.17 0.00 -0.01 0.00 0.00 54.79 52.49 3hea n ASP 130 Cb 0.23 -0.47 -0.01 0.00 -1.03 0.00 0.00 41.12 39.84 3hea n ASP 130 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3hea n TYR 131 N 0.83 -0.37 0.30 2.11 9.36 -0.05 -4.93 117.16 124.41 3hea n TYR 131 Ca 0.19 -3.52 0.17 0.00 3.32 0.00 0.00 57.90 58.06 3hea n TYR 131 Cb 0.65 -0.06 0.80 0.00 -0.63 0.00 0.00 39.34 40.10 3hea n TYR 131 CO 0.00 0.00 0.00 -1.00 0.22 0.00 0.00 176.86 176.08 3hea h PRO 132 N 3.03 0.00 0.00 2.98 0.13 -1.74 -1.81 132.00 134.59 3hea h PRO 132 Ca 0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.19 3hea h PRO 132 Cb 0.99 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.12 3hea h PRO 132 CO 0.44 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.21 3hea n GLN 133 N -2.81 0.03 -1.09 0.86 0.00 -1.26 -4.81 117.38 108.30 3hea n GLN 133 Ca -0.01 0.17 -0.29 0.00 0.00 0.00 0.00 57.00 56.87 3hea n GLN 133 Cb 0.18 -1.55 0.22 0.00 0.00 0.00 0.00 30.24 29.09 3hea n GLN 133 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.06 177.26 3hea s GLY 134 N -3.08 1.57 -0.06 2.61 0.00 -0.70 -4.94 107.32 102.71 3hea s GLY 134 Ca 0.09 -0.72 -0.30 0.00 0.00 0.00 0.00 44.72 43.80 3hea s GLY 134 CO 0.39 0.07 1.15 0.14 0.00 0.00 0.00 173.10 174.85 3hea s VAL 135 N -2.97 4.38 0.35 1.40 1.01 -0.57 -4.31 120.40 119.70 3hea s VAL 135 Ca 0.69 1.69 -0.28 0.00 0.00 0.00 0.00 61.98 64.08 3hea s VAL 135 Cb -0.14 -4.09 -0.12 0.00 0.00 0.00 0.00 36.38 32.04 3hea s VAL 135 CO 0.57 0.01 1.34 -2.65 0.00 0.00 0.00 175.10 174.36 3hea n PRO 136 N 5.08 2.25 0.29 2.72 -0.02 -1.26 -0.65 135.00 143.42 3hea n PRO 136 Ca 0.10 0.79 0.17 0.00 -2.02 0.00 0.00 63.50 62.54 3hea n PRO 136 Cb 0.47 -2.41 0.89 0.00 -0.02 0.00 0.00 33.50 32.42 3hea n PRO 136 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3hea h LEU 137 N 2.62 0.00 -1.76 2.45 3.38 -1.93 -1.84 115.31 118.23 3hea h LEU 137 Ca -0.47 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.48 3hea h LEU 137 Cb 1.27 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.02 3hea h LEU 137 CO 0.63 0.05 -0.03 -0.78 0.09 0.00 0.00 178.44 178.39 3hea h ASP 138 N 0.00 0.10 -0.46 -0.43 3.58 -1.99 0.38 116.42 117.59 3hea h ASP 138 Ca -0.00 -0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.44 3hea h ASP 138 Cb 0.23 -0.02 -0.02 0.00 1.72 0.00 0.00 39.33 41.23 3hea h ASP 138 CO 0.01 0.15 0.27 0.58 -2.88 0.00 0.00 179.24 177.37 3hea h VAL 139 N 0.11 1.15 -0.07 2.25 2.07 -1.69 -1.39 116.25 118.68 3hea h VAL 139 Ca 0.03 -0.37 -0.19 0.00 0.82 0.00 0.00 66.70 66.99 3hea h VAL 139 Cb 0.14 0.56 -0.00 0.00 -1.52 0.00 0.00 31.29 30.46 3hea h VAL 139 CO 0.01 0.16 -0.76 -0.26 0.02 0.00 0.00 177.57 176.73 3hea h PHE 140 N 0.61 0.57 -0.46 1.57 0.04 -1.51 -2.50 116.94 115.25 3hea h PHE 140 Ca 0.17 -0.26 0.06 0.00 2.80 0.00 0.00 57.97 60.74 3hea h PHE 140 Cb 0.02 -0.08 -0.06 0.00 2.20 0.00 0.00 35.95 38.03 3hea h PHE 140 CO -0.03 1.03 0.15 0.00 -0.60 0.00 0.00 178.31 178.86 3hea h ALA 141 N 0.90 0.55 -0.69 2.45 0.00 -0.77 -0.94 119.26 120.76 3hea h ALA 141 Ca -0.04 0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 3hea h ALA 141 Cb 1.35 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 19.17 3hea h ALA 141 CO 0.13 -0.25 0.17 0.00 0.00 0.00 0.00 179.25 179.30 3hea h ARG 142 N 0.31 1.11 -0.36 0.00 3.08 -1.19 -1.55 114.38 115.79 3hea h ARG 142 Ca 0.22 -0.27 0.04 0.00 0.07 0.00 0.00 59.98 60.04 3hea h ARG 142 Cb 0.24 -0.15 -0.04 0.00 0.08 0.00 0.00 29.97 30.11 3hea h ARG 142 CO -0.24 0.99 0.13 0.74 -1.07 0.00 0.00 179.97 180.51 3hea h PHE 143 N 1.05 0.23 -0.84 3.04 0.04 -1.04 -1.19 116.94 118.23 3hea h PHE 143 Ca 0.22 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.99 3hea h PHE 143 Cb 0.37 -0.05 -0.04 0.00 2.20 0.00 0.00 35.95 38.43 3hea h PHE 143 CO 0.03 0.10 0.47 0.87 -0.60 0.00 0.00 178.31 179.18 3hea h LYS 144 N 0.28 1.16 -0.77 1.51 1.57 -0.95 0.31 116.57 119.68 3hea h LYS 144 Ca 0.16 -0.13 0.01 0.00 -1.87 0.00 0.00 60.65 58.83 3hea h LYS 144 Cb 0.13 -0.23 -0.04 0.00 0.08 0.00 0.00 32.23 32.17 3hea h LYS 144 CO -0.16 0.85 0.50 1.15 -0.57 0.00 0.00 179.45 181.22 3hea h THR 145 N 1.16 1.18 -0.38 -0.16 2.02 -0.90 -0.96 112.91 114.87 3hea h THR 145 Ca 0.30 -0.35 -0.12 0.00 0.77 0.00 0.00 66.41 67.01 3hea h THR 145 Cb 0.01 0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 66.48 3hea h THR 145 CO -0.05 0.19 -0.22 -0.33 0.37 0.00 0.00 175.52 175.47 3hea h GLU 146 N 1.02 0.83 -0.17 6.66 5.08 -0.72 -2.91 114.58 124.37 3hea h GLU 146 Ca 0.29 -0.38 -0.02 0.00 -1.00 0.00 0.00 59.36 58.24 3hea h GLU 146 Cb -0.09 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 3hea h GLU 146 CO -0.07 1.01 -0.00 -0.07 -1.00 0.00 0.00 179.01 178.88 3hea h LEU 147 N 0.63 0.23 -0.07 1.33 3.38 -0.71 -0.78 115.31 119.31 3hea h LEU 147 Ca 0.08 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3hea h LEU 147 Cb 0.79 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.48 3hea h LEU 147 CO 0.06 0.28 -0.01 0.18 0.09 0.00 0.00 178.44 179.04 3hea n LEU 148 N -4.39 0.13 -0.12 1.67 4.77 -0.38 -2.89 117.00 115.79 3hea n LEU 148 Ca -0.00 0.07 -0.24 0.00 -0.03 0.00 0.00 56.01 55.80 3hea n LEU 148 Cb 0.18 -0.11 -0.09 0.00 -2.33 0.00 0.00 43.42 41.07 3hea n LEU 148 CO 0.36 0.02 -1.30 0.29 -1.33 0.00 0.00 177.39 175.44 3hea n LYS 149 N -1.03 0.51 -2.96 3.23 5.02 -0.68 -4.97 118.16 117.29 3hea n LYS 149 Ca 0.20 0.21 -0.04 0.00 -2.02 0.00 0.00 58.31 56.65 3hea n LYS 149 Cb 0.18 -1.35 -0.00 0.00 -0.02 0.00 0.00 35.03 33.83 3hea n LYS 149 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3hea s ASP 150 N -6.97 -1.24 0.39 4.39 -1.08 -0.39 -5.01 116.67 106.77 3hea s ASP 150 Ca -0.32 -1.49 0.12 0.00 -0.52 0.00 0.00 52.55 50.33 3hea s ASP 150 Cb 0.12 1.76 0.80 0.00 -1.46 0.00 0.00 42.92 44.14 3hea s ASP 150 CO 0.43 -0.10 1.89 0.08 0.52 0.00 0.00 175.17 177.99 3hea h ARG 151 N 5.74 0.09 0.32 4.34 0.11 -1.70 -1.91 114.38 121.38 3hea h ARG 151 Ca 0.07 -0.03 -0.02 0.00 0.10 0.00 0.00 59.98 60.10 3hea h ARG 151 Cb 1.12 -0.01 0.00 0.00 1.11 0.00 0.00 29.97 32.19 3hea h ARG 151 CO 0.06 0.34 -0.15 0.00 0.10 0.00 0.00 179.97 180.32 3hea h ALA 152 N 1.67 -0.43 -0.21 0.08 0.00 -1.94 -1.10 119.26 117.32 3hea h ALA 152 Ca 0.01 -0.15 -0.12 0.00 0.00 0.00 0.00 54.91 54.65 3hea h ALA 152 Cb 0.48 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 3hea h ALA 152 CO 0.03 -0.65 -0.39 0.37 0.00 0.00 0.00 179.25 178.62 3hea h GLN 153 N -0.62 0.47 -0.14 0.00 5.75 -1.97 -1.72 115.11 116.89 3hea h GLN 153 Ca -0.04 -0.23 0.04 0.00 -0.15 0.00 0.00 58.65 58.27 3hea h GLN 153 Cb 0.44 -0.00 -0.04 0.00 1.07 0.00 0.00 27.48 28.95 3hea h GLN 153 CO 0.07 0.78 -0.14 0.35 -2.65 0.00 0.00 178.83 177.25 3hea h PHE 154 N 0.39 -0.34 -0.36 3.99 3.57 -1.26 -0.05 116.94 122.88 3hea h PHE 154 Ca 0.04 0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.45 3hea h PHE 154 Cb 0.85 0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.75 3hea h PHE 154 CO 0.03 -0.20 -0.23 0.82 -2.23 0.00 0.00 178.31 176.50 3hea h ILE 155 N -0.16 1.27 -0.35 1.41 2.04 -1.07 -0.89 117.51 119.75 3hea h ILE 155 Ca 0.09 -1.33 0.04 0.00 1.00 0.00 0.00 64.86 64.66 3hea h ILE 155 Cb 0.30 1.24 -0.04 0.00 -0.74 0.00 0.00 36.82 37.58 3hea h ILE 155 CO -0.23 0.44 0.13 -1.28 0.00 0.00 0.00 178.15 177.20 3hea h SER 156 N 0.62 0.15 0.84 1.72 0.87 -1.00 -1.90 113.55 114.85 3hea h SER 156 Ca 0.09 0.04 -0.03 0.00 -1.23 0.00 0.00 61.79 60.65 3hea h SER 156 Cb 0.73 0.02 -0.00 0.00 -0.44 0.00 0.00 62.40 62.70 3hea h SER 156 CO 0.06 0.12 -0.16 0.44 -0.53 0.00 0.00 176.83 176.75 3hea h ASP 157 N 0.28 0.00 0.70 6.23 3.32 -0.70 -2.78 116.42 123.47 3hea h ASP 157 Ca 0.16 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.16 3hea h ASP 157 Cb 0.13 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 3hea h ASP 157 CO -0.16 0.16 -0.22 0.15 -1.72 0.00 0.00 179.24 177.45 3hea h PHE 158 N 0.00 0.00 -0.80 4.55 3.04 -0.35 -3.22 116.94 120.16 3hea h PHE 158 Ca -0.00 0.00 0.16 0.00 3.98 0.00 0.00 57.97 62.10 3hea h PHE 158 Cb 0.63 0.00 -0.10 0.00 2.56 0.00 0.00 35.95 39.04 3hea h PHE 158 CO 0.00 0.22 0.34 -0.91 -2.02 0.00 0.00 178.31 175.95 3hea h ASN 159 N 0.00 0.34 0.81 0.41 2.35 -1.24 -1.57 115.58 116.68 3hea h ASN 159 Ca -0.00 0.11 -0.04 0.00 -0.55 0.00 0.00 56.30 55.82 3hea h ASN 159 Cb 0.64 0.08 0.01 0.00 0.05 0.00 0.00 38.32 39.09 3hea h ASN 159 CO 0.03 0.11 -0.39 0.00 -1.65 0.00 0.00 177.43 175.53 3hea h ALA 160 N 1.58 -1.09 -0.04 -0.83 0.00 -1.78 -1.43 119.26 115.67 3hea h ALA 160 Ca 0.45 -0.24 -0.10 0.00 0.00 0.00 0.00 54.91 55.02 3hea h ALA 160 Cb 0.71 0.42 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 3hea h ALA 160 CO -0.42 -1.10 -0.44 -1.00 0.00 0.00 0.00 179.25 176.30 3hea h PRO 161 N -1.12 0.09 -0.20 0.00 0.13 -1.75 -0.17 132.00 128.97 3hea h PRO 161 Ca -0.11 -0.04 0.01 0.00 -0.87 0.00 0.00 66.00 64.98 3hea h PRO 161 Cb 0.84 -0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.96 3hea h PRO 161 CO 0.18 0.51 0.12 0.35 -0.23 0.00 0.00 178.00 178.93 3hea h PHE 162 N 0.07 0.23 -0.01 1.56 3.04 -1.18 -3.04 116.94 117.61 3hea h PHE 162 Ca 0.00 0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.96 3hea h PHE 162 Cb 0.80 -0.08 0.00 0.00 2.56 0.00 0.00 35.95 39.24 3hea h PHE 162 CO 0.01 0.14 -0.30 0.66 -2.02 0.00 0.00 178.31 176.80 3hea n TYR 163 N -4.96 0.00 -1.21 0.41 4.01 -0.55 -0.55 117.16 114.31 3hea n TYR 163 Ca -0.03 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.65 3hea n TYR 163 Cb 0.03 -0.06 -0.03 0.00 -0.31 0.00 0.00 39.34 38.98 3hea n TYR 163 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3hea n GLY 164 N 1.35 0.84 0.35 2.72 0.00 -0.24 -4.68 105.19 105.54 3hea n GLY 164 Ca 0.12 -0.76 0.07 0.00 0.00 0.00 0.00 46.02 45.45 3hea n GLY 164 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3hea h ILE 165 N 0.00 0.99 0.00 -0.61 2.04 -1.29 0.18 117.51 118.82 3hea h ILE 165 Ca -0.13 -0.25 0.00 0.00 1.00 0.00 0.00 64.86 65.48 3hea h ILE 165 Cb 0.43 0.20 0.00 0.00 -0.74 0.00 0.00 36.82 36.71 3hea h ILE 165 CO 0.19 0.13 0.00 -0.46 0.00 0.00 0.00 178.15 178.01 3hea n ASN 166 N -4.49 0.00 -0.95 1.72 6.94 -1.24 -2.93 115.26 114.31 3hea n ASN 166 Ca 0.11 -0.34 0.05 0.00 -0.02 0.00 0.00 54.58 54.38 3hea n ASN 166 Cb 0.26 -0.14 0.12 0.00 -2.36 0.00 0.00 39.78 37.66 3hea n ASN 166 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 3hea n LYS 167 N -1.14 0.85 -0.43 -3.83 4.76 0.56 -5.00 118.16 113.94 3hea n LYS 167 Ca 0.13 -2.64 0.00 0.00 -2.87 0.00 0.00 58.31 52.92 3hea n LYS 167 Cb 0.12 -0.90 0.00 0.00 -1.84 0.00 0.00 35.03 32.41 3hea n LYS 167 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3hea n GLY 168 N -0.42 0.80 3.79 0.72 0.00 -1.05 -5.05 105.19 103.98 3hea n GLY 168 Ca 0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.80 3hea n GLY 168 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hea s GLN 169 N -0.53 3.67 -0.25 1.61 -1.52 -0.77 -5.00 119.66 116.87 3hea s GLN 169 Ca 0.00 1.43 -0.02 0.00 -1.95 0.00 0.00 55.36 54.82 3hea s GLN 169 Cb 0.00 -2.07 0.02 0.00 -0.22 0.00 0.00 33.01 30.75 3hea s GLN 169 CO 0.00 -0.55 -0.05 0.08 -0.25 0.00 0.00 175.29 174.52 3hea s VAL 170 N -1.92 2.97 -0.03 1.09 1.01 -1.26 -4.29 120.40 117.97 3hea s VAL 170 Ca 0.69 -0.98 0.02 0.00 0.00 0.00 0.00 61.98 61.71 3hea s VAL 170 Cb -0.18 -2.51 0.01 0.00 0.00 0.00 0.00 36.38 33.70 3hea s VAL 170 CO 0.22 0.20 -0.07 -0.69 0.00 0.00 0.00 175.10 174.76 3hea s VAL 171 N 1.34 0.64 0.81 2.92 1.01 -1.26 -4.97 120.40 120.89 3hea s VAL 171 Ca 0.01 -0.27 -0.10 0.00 0.00 0.00 0.00 61.98 61.61 3hea s VAL 171 Cb -0.17 -0.59 0.08 0.00 0.00 0.00 0.00 36.38 35.70 3hea s VAL 171 CO -0.04 0.21 1.10 -0.94 0.00 0.00 0.00 175.10 175.44 3hea s SER 172 N 0.33 4.16 0.30 3.32 1.04 -1.26 -4.89 113.70 116.70 3hea s SER 172 Ca -0.05 1.86 -0.02 0.00 0.48 0.00 0.00 55.95 58.22 3hea s SER 172 Cb -0.09 -2.50 0.44 0.00 0.10 0.00 0.00 66.02 63.96 3hea s SER 172 CO 0.00 -2.26 1.93 -0.61 0.98 0.00 0.00 173.24 173.28 3hea h GLN 173 N -1.29 1.00 -0.49 4.02 5.75 -2.00 -2.37 115.11 119.74 3hea h GLN 173 Ca -0.44 -0.10 0.06 0.00 -0.15 0.00 0.00 58.65 58.02 3hea h GLN 173 Cb 1.24 -0.21 -0.05 0.00 1.07 0.00 0.00 27.48 29.53 3hea h GLN 173 CO 0.50 0.72 0.19 0.78 -2.65 0.00 0.00 178.83 178.37 3hea h GLY 174 N 1.05 0.65 1.01 2.39 0.00 -1.99 0.34 103.07 106.54 3hea h GLY 174 Ca 0.26 -0.11 -0.05 0.00 0.00 0.00 0.00 47.33 47.43 3hea h GLY 174 CO -0.05 0.03 0.19 -2.08 0.00 0.00 0.00 176.54 174.64 3hea h VAL 175 N 0.38 1.25 -0.72 4.60 2.07 -1.88 0.09 116.25 122.03 3hea h VAL 175 Ca 0.23 -0.83 -0.06 0.00 0.82 0.00 0.00 66.70 66.85 3hea h VAL 175 Cb 0.22 0.62 -0.03 0.00 -1.52 0.00 0.00 31.29 30.58 3hea h VAL 175 CO -0.22 0.32 0.20 1.56 0.02 0.00 0.00 177.57 179.45 3hea h GLN 176 N 0.88 1.14 -0.29 1.57 4.20 -0.84 -0.82 115.11 120.95 3hea h GLN 176 Ca 0.20 -0.26 -0.01 0.00 0.06 0.00 0.00 58.65 58.64 3hea h GLN 176 Cb 0.29 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.90 3hea h GLN 176 CO -0.01 0.99 0.14 1.15 -0.67 0.00 0.00 178.83 180.43 3hea h THR 177 N 1.09 1.16 -0.70 -0.54 2.02 -0.12 -2.59 112.91 113.23 3hea h THR 177 Ca 0.23 -0.46 -0.04 0.00 0.77 0.00 0.00 66.41 66.92 3hea h THR 177 Cb 0.34 0.92 -0.03 0.00 -1.74 0.00 0.00 68.15 67.64 3hea h THR 177 CO -0.00 0.16 0.28 -0.61 0.37 0.00 0.00 175.52 175.72 3hea h GLN 178 N 0.34 1.03 -0.24 6.66 4.15 -0.77 -0.29 115.11 126.00 3hea h GLN 178 Ca 0.10 -0.17 0.00 0.00 0.77 0.00 0.00 58.65 59.35 3hea h GLN 178 Cb 0.13 -0.18 -0.01 0.00 0.21 0.00 0.00 27.48 27.63 3hea h GLN 178 CO -0.01 0.84 0.16 1.15 -1.93 0.00 0.00 178.83 179.03 3hea h THR 179 N 1.01 1.06 -0.44 2.39 2.02 -1.04 -1.58 112.91 116.32 3hea h THR 179 Ca 0.24 -0.11 -0.11 0.00 0.77 0.00 0.00 66.41 67.20 3hea h THR 179 Cb 0.19 0.71 -0.01 0.00 -1.74 0.00 0.00 68.15 67.29 3hea h THR 179 CO -0.02 0.06 -0.16 0.25 0.37 0.00 0.00 175.52 176.02 3hea h LEU 180 N 0.32 0.91 -0.14 2.58 5.85 -1.15 -1.83 115.31 121.84 3hea h LEU 180 Ca 0.09 -0.38 0.03 0.00 0.84 0.00 0.00 57.88 58.45 3hea h LEU 180 Cb -0.03 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.72 3hea h LEU 180 CO -0.02 1.08 -0.03 -0.61 -0.34 0.00 0.00 178.44 178.52 3hea h GLN 181 N 0.72 0.01 -0.24 1.25 4.15 -0.88 -0.85 115.11 119.28 3hea h GLN 181 Ca 0.11 -0.00 0.02 0.00 0.77 0.00 0.00 58.65 59.55 3hea h GLN 181 Cb 0.71 -0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.38 3hea h GLN 181 CO 0.05 0.01 0.09 0.82 -1.93 0.00 0.00 178.83 177.87 3hea h ILE 182 N 0.01 0.96 -0.96 2.39 2.04 -1.25 -2.83 117.51 117.86 3hea h ILE 182 Ca 0.07 -0.07 0.05 0.00 1.00 0.00 0.00 64.86 65.91 3hea h ILE 182 Cb 0.10 0.73 -0.06 0.00 -0.74 0.00 0.00 36.82 36.85 3hea h ILE 182 CO -0.14 0.04 0.63 0.00 0.00 0.00 0.00 178.15 178.68 3hea h ALA 183 N 1.14 1.41 0.00 1.87 0.00 -0.92 -1.91 119.26 120.85 3hea h ALA 183 Ca 0.10 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3hea h ALA 183 Cb 0.06 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 3hea h ALA 183 CO -0.09 0.47 -0.05 -0.07 0.00 0.00 0.00 179.25 179.51 3hea h LEU 184 N 1.17 0.00 -1.64 0.00 3.38 -0.92 -1.87 115.31 115.44 3hea h LEU 184 Ca 0.40 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.33 3hea h LEU 184 Cb 0.08 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 3hea h LEU 184 CO -0.14 0.05 -0.14 -0.07 0.09 0.00 0.00 178.44 178.24 3hea h LEU 185 N 0.00 0.05-10.25 1.67 3.38 -1.22 -3.46 115.31 105.49 3hea h LEU 185 Ca -0.00 -0.01 -0.51 0.00 0.09 0.00 0.00 57.88 57.45 3hea h LEU 185 Cb 0.42 -0.01 0.11 0.00 0.09 0.00 0.00 40.66 41.26 3hea h LEU 185 CO 0.01 0.20 0.35 0.00 0.09 0.00 0.00 178.44 179.09 3hea s ALA 186 N -4.73 2.43 0.28 1.53 0.00 -0.70 -4.51 121.76 116.06 3hea s ALA 186 Ca -0.04 0.40 -0.29 0.00 0.00 0.00 0.00 51.96 52.02 3hea s ALA 186 Cb 0.16 -3.28 -0.10 0.00 0.00 0.00 0.00 23.12 19.90 3hea s ALA 186 CO 0.70 -1.41 1.29 0.45 0.00 0.00 0.00 175.76 176.80 3hea s SER 187 N -2.98 6.86 0.22 0.00 0.15 0.81 -4.95 113.70 113.82 3hea s SER 187 Ca 0.64 2.56 -0.09 0.00 0.70 0.00 0.00 55.95 59.76 3hea s SER 187 Cb -0.18 -2.63 0.18 0.00 -1.71 0.00 0.00 66.02 61.68 3hea s SER 187 CO 0.47 -0.49 1.88 0.25 1.20 0.00 0.00 173.24 176.55 3hea h LEU 188 N 4.09 0.97 -0.16 3.45 5.85 -1.95 -0.34 115.31 127.23 3hea h LEU 188 Ca -0.47 -0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.19 3hea h LEU 188 Cb 1.22 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 42.00 3hea h LEU 188 CO 0.70 0.73 0.06 0.50 -0.34 0.00 0.00 178.44 180.09 3hea h LYS 189 N 1.13 0.24 -0.72 1.25 1.63 -1.96 -2.02 116.57 116.12 3hea h LYS 189 Ca 0.30 -0.04 -0.03 0.00 -0.85 0.00 0.00 60.65 60.03 3hea h LYS 189 Cb -0.09 -0.04 -0.03 0.00 -0.60 0.00 0.00 32.23 31.47 3hea h LYS 189 CO -0.06 0.33 0.35 0.00 -3.45 0.00 0.00 179.45 176.61 3hea h ALA 190 N 0.90 0.93 -0.84 5.00 0.00 -1.84 0.14 119.26 123.55 3hea h ALA 190 Ca 0.05 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 54.87 3hea h ALA 190 Cb 0.18 -0.29 -0.06 0.00 0.00 0.00 0.00 17.79 17.63 3hea h ALA 190 CO -0.00 0.50 0.53 1.15 0.00 0.00 0.00 179.25 181.42 3hea h THR 191 N 1.01 1.07 0.08 0.00 2.02 -0.86 -0.93 112.91 115.29 3hea h THR 191 Ca 0.25 -0.34 -0.16 0.00 0.77 0.00 0.00 66.41 66.94 3hea h THR 191 Cb 0.12 0.00 0.02 0.00 -1.74 0.00 0.00 68.15 66.55 3hea h THR 191 CO -0.03 0.18 -0.66 0.58 0.37 0.00 0.00 175.52 175.96 3hea h VAL 192 N 0.98 1.50 -0.80 3.16 2.07 -1.15 -3.29 116.25 118.71 3hea h VAL 192 Ca 0.36 -2.33 0.04 0.00 0.82 0.00 0.00 66.70 65.59 3hea h VAL 192 Cb 0.12 2.97 -0.05 0.00 -1.52 0.00 0.00 31.29 32.82 3hea h VAL 192 CO -0.16 0.66 0.53 0.44 0.02 0.00 0.00 177.57 179.06 3hea h ASP 193 N -0.32 0.85 -0.56 0.57 3.32 -0.82 -1.88 116.42 117.58 3hea h ASP 193 Ca -0.10 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 56.93 3hea h ASP 193 Cb 1.45 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 40.78 3hea h ASP 193 CO 0.13 0.58 0.35 0.00 -1.72 0.00 0.00 179.24 178.57 3hea h VAL 195 N 0.79 1.06 -0.63 0.00 2.07 -1.41 0.92 116.25 119.06 3hea h VAL 195 Ca 0.21 -0.16 0.09 0.00 0.82 0.00 0.00 66.70 67.66 3hea h VAL 195 Cb -0.03 0.94 -0.07 0.00 -1.52 0.00 0.00 31.29 30.61 3hea h VAL 195 CO -0.04 0.06 0.28 0.74 0.02 0.00 0.00 177.57 178.62 3hea h THR 196 N 0.14 0.83 0.27 2.57 2.02 -1.25 -1.09 112.91 116.39 3hea h THR 196 Ca 0.05 -0.17 -0.01 0.00 0.77 0.00 0.00 66.41 67.04 3hea h THR 196 Cb 0.03 0.29 0.00 0.00 -1.74 0.00 0.00 68.15 66.73 3hea h THR 196 CO -0.01 0.09 -0.13 0.00 0.37 0.00 0.00 175.52 175.84 3hea h ALA 197 N 1.40 -0.36 0.00 6.16 0.00 -0.64 -2.75 119.26 123.07 3hea h ALA 197 Ca 0.31 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 3hea h ALA 197 Cb 0.34 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 3hea h ALA 197 CO -0.27 -0.64 -0.10 0.27 0.00 0.00 0.00 179.25 178.51 3hea h PHE 198 N -0.49 0.00 -0.08 0.00 -5.15 -0.77 -1.60 116.94 108.84 3hea h PHE 198 Ca -0.04 0.00 -0.18 0.00 -0.20 0.00 0.00 57.97 57.55 3hea h PHE 198 Cb 0.37 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 36.53 3hea h PHE 198 CO -0.02 0.10 -0.73 0.00 -2.00 0.00 0.00 178.31 175.66 3hea h ALA 199 N 1.90 0.59 0.00 12.09 0.00 -1.20 -3.40 119.26 129.24 3hea h ALA 199 Ca -0.00 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.30 3hea h ALA 199 Cb 0.88 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.61 3hea h ALA 199 CO 0.01 0.76 -0.44 0.39 0.00 0.00 0.00 179.25 179.97 3hea n GLU 200 N -3.84 4.24 -2.59 0.00 1.02 -1.04 -1.65 120.64 116.78 3hea n GLU 200 Ca -0.04 -0.01 -0.42 0.00 -0.02 0.00 0.00 57.16 56.67 3hea n GLU 200 Cb 0.71 -0.77 -0.03 0.00 -0.02 0.00 0.00 31.44 31.33 3hea n GLU 200 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3hea s THR 201 N -1.55 4.47 -0.34 2.62 2.01 -0.61 -5.01 115.64 117.23 3hea s THR 201 Ca 0.00 1.81 -0.14 0.00 0.31 0.00 0.00 61.69 63.67 3hea s THR 201 Cb 0.02 -4.16 -0.02 0.00 0.01 0.00 0.00 72.50 68.36 3hea s THR 201 CO 0.12 0.16 0.30 -0.62 -0.69 0.00 0.00 174.62 173.89 3hea s ASP 202 N 0.89 6.12 -0.17 3.53 -1.08 -1.26 -4.52 116.67 120.18 3hea s ASP 202 Ca 0.54 -0.30 0.16 0.00 -0.52 0.00 0.00 52.55 52.43 3hea s ASP 202 Cb -0.25 -2.17 0.71 0.00 -1.46 0.00 0.00 42.92 39.76 3hea s ASP 202 CO 0.29 -0.27 1.63 0.49 0.52 0.00 0.00 175.17 177.83 3hea n PHE 203 N 5.24 1.60 -0.15 -5.34 3.72 0.18 -4.55 117.46 118.16 3hea n PHE 203 Ca -0.11 -0.70 -0.11 0.00 -0.05 0.00 0.00 57.45 56.48 3hea n PHE 203 Cb 0.50 -0.36 0.02 0.00 -0.94 0.00 0.00 39.48 38.69 3hea n PHE 203 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3hea h ARG 204 N 3.55 0.97 -0.66 -1.08 3.08 -1.91 -1.73 114.38 116.60 3hea h ARG 204 Ca 0.00 -0.41 -0.02 0.00 0.07 0.00 0.00 59.98 59.62 3hea h ARG 204 Cb 1.65 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 31.63 3hea h ARG 204 CO 0.33 1.08 0.33 -1.35 -1.07 0.00 0.00 179.97 179.29 3hea h PRO 205 N 0.84 0.92 -0.94 0.04 0.11 -1.93 -2.65 132.00 128.39 3hea h PRO 205 Ca 0.11 -0.11 0.01 0.00 0.11 0.00 0.00 66.00 66.11 3hea h PRO 205 Cb 0.78 -0.18 -0.05 0.00 0.11 0.00 0.00 31.00 31.67 3hea h PRO 205 CO 0.07 0.71 0.61 -0.44 -0.21 0.00 0.00 178.00 178.74 3hea h ASP 206 N 0.93 1.09 -0.92 -2.05 5.19 -1.68 -2.69 116.42 116.28 3hea h ASP 206 Ca 0.23 -0.04 0.03 0.00 -0.62 0.00 0.00 57.03 56.63 3hea h ASP 206 Cb 0.08 -0.27 -0.05 0.00 0.18 0.00 0.00 39.33 39.26 3hea h ASP 206 CO -0.03 0.80 0.61 0.24 -3.12 0.00 0.00 179.24 177.73 3hea h MET 207 N 1.28 1.16 0.00 3.56 2.86 -0.96 -0.50 114.93 122.32 3hea h MET 207 Ca 0.34 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.91 3hea h MET 207 Cb -0.13 -0.26 0.00 0.00 0.06 0.00 0.00 31.60 31.27 3hea h MET 207 CO -0.07 0.77 0.00 0.00 1.06 0.00 0.00 176.91 178.67 3hea h ALA 208 N 1.45 1.00 -0.02 6.32 0.00 -1.49 -2.67 119.26 123.85 3hea h ALA 208 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.27 3hea h ALA 208 Cb -0.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3hea h ALA 208 CO -0.10 0.00 -0.26 1.63 0.00 0.00 0.00 179.25 180.52 3hea n LYS 209 N -2.51 1.45 -2.63 0.00 5.02 -0.21 -4.84 118.16 114.44 3hea n LYS 209 Ca 0.01 -1.11 -0.43 0.00 -2.02 0.00 0.00 58.31 54.76 3hea n LYS 209 Cb 0.22 -1.48 -0.02 0.00 -0.02 0.00 0.00 35.03 33.73 3hea n LYS 209 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3hea s ILE 210 N -2.31 4.16 -0.29 -0.18 1.01 -1.01 -4.86 121.20 117.72 3hea s ILE 210 Ca 0.24 0.99 0.07 0.00 0.00 0.00 0.00 60.65 61.96 3hea s ILE 210 Cb 0.19 -4.64 0.46 0.00 0.01 0.00 0.00 42.46 38.48 3hea s ILE 210 CO 0.47 -1.14 1.22 -0.90 0.00 0.00 0.00 174.94 174.59 3hea n ASP 211 N 8.01 4.65 -4.21 3.58 5.75 -1.26 -4.52 116.55 128.56 3hea n ASP 211 Ca 0.09 -3.77 -0.13 0.00 -0.01 0.00 0.00 54.79 50.98 3hea n ASP 211 Cb 0.49 -0.38 -0.10 0.00 -1.03 0.00 0.00 41.12 40.10 3hea n ASP 211 CO 0.00 0.00 0.00 0.68 -0.11 0.00 0.00 177.20 177.77 3hea s VAL 212 N -4.46 0.95 0.25 2.12 -7.23 -1.26 -5.11 120.40 105.66 3hea s VAL 212 Ca 0.50 -1.94 -0.31 0.00 -1.81 0.00 0.00 61.98 58.43 3hea s VAL 212 Cb 0.41 -1.69 -0.14 0.00 0.56 0.00 0.00 36.38 35.52 3hea s VAL 212 CO 0.03 -0.76 1.25 -2.65 -0.31 0.00 0.00 175.10 172.66 3hea n PRO 213 N 0.00 1.70 -3.99 4.82 -0.02 -1.26 -4.76 135.00 131.49 3hea n PRO 213 Ca -0.12 0.60 -0.16 0.00 -2.02 0.00 0.00 63.50 61.80 3hea n PRO 213 Cb 0.60 -2.15 -0.15 0.00 -0.02 0.00 0.00 33.50 31.78 3hea n PRO 213 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3hea s THR 214 N -0.43 0.22 -0.12 3.45 2.01 -1.26 -1.01 115.64 118.49 3hea s THR 214 Ca 0.66 -0.02 0.02 0.00 0.31 0.00 0.00 61.69 62.65 3hea s THR 214 Cb -0.70 -0.25 -0.01 0.00 0.01 0.00 0.00 72.50 71.55 3hea s THR 214 CO 0.54 0.11 -0.18 -0.22 -0.69 0.00 0.00 174.62 174.18 3hea s LEU 215 N 0.51 2.40 -0.19 4.42 2.96 0.11 -0.49 118.68 128.41 3hea s LEU 215 Ca -0.05 -0.46 -0.03 0.00 -0.22 0.00 0.00 54.13 53.37 3hea s LEU 215 Cb -0.08 -1.52 -0.02 0.00 0.50 0.00 0.00 46.19 45.08 3hea s LEU 215 CO -0.01 0.14 -0.05 -0.69 -1.32 0.00 0.00 176.35 174.42 3hea s VAL 216 N 0.47 3.51 -0.04 1.68 1.01 0.11 -0.94 120.40 126.19 3hea s VAL 216 Ca -0.13 -0.47 0.06 0.00 0.00 0.00 0.00 61.98 61.45 3hea s VAL 216 Cb -0.17 -2.56 -0.01 0.00 0.00 0.00 0.00 36.38 33.64 3hea s VAL 216 CO 0.05 0.46 -0.23 -0.63 0.00 0.00 0.00 175.10 174.75 3hea s ILE 217 N 0.94 1.88 -0.17 2.22 1.01 -0.23 -0.14 121.20 126.71 3hea s ILE 217 Ca -0.00 -0.98 -0.20 0.00 0.00 0.00 0.00 60.65 59.46 3hea s ILE 217 Cb -0.15 -1.59 0.05 0.00 0.01 0.00 0.00 42.46 40.79 3hea s ILE 217 CO 0.01 0.53 0.55 -2.28 0.00 0.00 0.00 174.94 173.74 3hea s HIS 218 N -0.23 -0.57 0.03 3.97 2.46 -0.80 -0.84 115.29 119.31 3hea s HIS 218 Ca -0.00 1.31 -0.26 0.00 0.47 0.00 0.00 55.06 56.58 3hea s HIS 218 Cb -0.12 0.22 -0.05 0.00 -0.13 0.00 0.00 32.58 32.50 3hea s HIS 218 CO 0.02 -0.35 0.79 0.20 -2.47 0.00 0.00 174.74 172.94 3hea s GLY 219 N -0.08 2.79 0.00 1.59 0.00 -1.26 -1.30 107.32 109.06 3hea s GLY 219 Ca -0.03 0.31 0.14 0.00 0.00 0.00 0.00 44.72 45.14 3hea s GLY 219 CO 0.02 1.20 1.41 2.09 0.00 0.00 0.00 173.10 177.83 3hea n ASP 220 N 3.08 0.93 -1.13 1.64 5.75 -1.11 -2.66 116.55 123.03 3hea n ASP 220 Ca -0.01 -1.76 0.08 0.00 -0.01 0.00 0.00 54.79 53.09 3hea n ASP 220 Cb 0.50 -0.09 0.27 0.00 -1.03 0.00 0.00 41.12 40.78 3hea n ASP 220 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3hea n GLY 221 N 0.89 3.00 3.62 6.12 0.00 -0.75 -4.75 105.19 113.33 3hea n GLY 221 Ca 0.11 -0.74 -0.43 0.00 0.00 0.00 0.00 46.02 44.97 3hea n GLY 221 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3hea s ASP 222 N -1.15 6.14 0.00 1.61 -1.08 -1.03 -4.52 116.67 116.63 3hea s ASP 222 Ca 0.41 1.77 0.27 0.00 -0.52 0.00 0.00 52.55 54.47 3hea s ASP 222 Cb 0.26 -2.53 0.80 0.00 -1.46 0.00 0.00 42.92 39.99 3hea s ASP 222 CO 0.19 -1.43 1.60 0.00 0.52 0.00 0.00 175.17 176.05 3hea n GLN 223 N 7.97 0.32 -0.08 4.34 6.02 -1.26 -4.38 117.38 130.31 3hea n GLN 223 Ca 0.22 -0.15 -0.15 0.00 -0.01 0.00 0.00 57.00 56.91 3hea n GLN 223 Cb 0.45 -1.50 -0.05 0.00 1.02 0.00 0.00 30.24 30.16 3hea n GLN 223 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 3hea n ILE 224 N -1.21 1.27 -3.94 5.09 2.08 -1.26 -4.89 119.36 116.50 3hea n ILE 224 Ca 0.09 -0.05 -0.33 0.00 0.56 0.00 0.00 62.75 63.02 3hea n ILE 224 Cb 0.33 -1.96 -0.14 0.00 -0.75 0.00 0.00 39.64 37.13 3hea n ILE 224 CO 0.00 0.00 0.00 -0.69 0.56 0.00 0.00 176.55 176.42 3hea s VAL 225 N -2.51 2.67 0.04 1.39 1.01 -1.26 -5.07 120.40 116.66 3hea s VAL 225 Ca -0.25 -2.04 -0.31 0.00 0.00 0.00 0.00 61.98 59.38 3hea s VAL 225 Cb 0.07 -2.81 -0.10 0.00 0.00 0.00 0.00 36.38 33.54 3hea s VAL 225 CO 0.34 -0.49 1.94 -2.65 0.00 0.00 0.00 175.10 174.23 3hea n PRO 226 N 4.43 2.78 -0.17 2.72 -0.02 -1.26 -4.77 135.00 138.70 3hea n PRO 226 Ca -0.02 1.02 -0.04 0.00 -2.02 0.00 0.00 63.50 62.44 3hea n PRO 226 Cb 0.42 -2.95 0.06 0.00 -0.02 0.00 0.00 33.50 31.01 3hea n PRO 226 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 3hea h PHE 227 N 10.00 0.46 -0.10 6.00 3.04 -1.81 -2.56 116.94 131.97 3hea h PHE 227 Ca -0.49 0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.48 3hea h PHE 227 Cb 1.24 -0.13 -0.01 0.00 2.56 0.00 0.00 35.95 39.61 3hea h PHE 227 CO 0.91 0.21 0.07 0.93 -2.02 0.00 0.00 178.31 178.41 3hea h GLU 228 N 0.49 0.13 -0.14 1.11 4.39 -1.94 -2.01 114.58 116.60 3hea h GLU 228 Ca 0.24 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.93 3hea h GLU 228 Cb 0.17 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.79 3hea h GLU 228 CO -0.18 0.08 0.00 0.25 -1.16 0.00 0.00 179.01 178.01 3hea n THR 229 N -4.52 0.29 0.00 1.13 -2.24 -1.09 -4.33 114.28 103.51 3hea n THR 229 Ca -0.01 -0.64 0.00 0.00 -2.27 0.00 0.00 64.05 61.12 3hea n THR 229 Cb 0.09 1.08 0.00 0.00 -2.10 0.00 0.00 70.33 69.39 3hea n THR 229 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3hea n THR 230 N 0.83 0.00 -0.28 4.28 -2.24 -0.99 -4.65 114.28 111.23 3hea n THR 230 Ca 0.10 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 61.99 3hea n THR 230 Cb 0.40 0.00 0.25 0.00 -2.10 0.00 0.00 70.33 68.87 3hea n THR 230 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 3hea h GLY 231 N 0.00 1.20 0.74 3.38 0.00 -1.60 0.18 103.07 106.97 3hea h GLY 231 Ca 0.00 -0.00 0.05 0.00 0.00 0.00 0.00 47.33 47.37 3hea h GLY 231 CO 0.00 -0.32 0.35 1.70 0.00 0.00 0.00 176.54 178.27 3hea h LYS 232 N 0.20 0.65 -0.14 4.80 3.64 -1.63 -1.55 116.57 122.54 3hea h LYS 232 Ca 0.50 -0.04 -0.23 0.00 -1.27 0.00 0.00 60.65 59.62 3hea h LYS 232 Cb 0.97 -0.15 0.01 0.00 -0.41 0.00 0.00 32.23 32.65 3hea h LYS 232 CO -0.64 0.43 -0.80 0.28 -2.27 0.00 0.00 179.45 176.45 3hea h VAL 233 N 0.67 1.28 -0.74 2.00 2.07 -1.20 -3.19 116.25 117.14 3hea h VAL 233 Ca 0.27 -2.00 0.04 0.00 0.82 0.00 0.00 66.70 65.83 3hea h VAL 233 Cb 0.13 2.03 -0.05 0.00 -1.52 0.00 0.00 31.29 31.88 3hea h VAL 233 CO -0.15 0.63 0.46 0.00 0.02 0.00 0.00 177.57 178.52 3hea h ALA 234 N 0.53 0.98 -0.11 1.67 0.00 -0.46 -0.46 119.26 121.42 3hea h ALA 234 Ca -0.06 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 3hea h ALA 234 Cb 1.44 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 3hea h ALA 234 CO 0.17 0.21 -0.02 0.00 0.00 0.00 0.00 179.25 179.61 3hea h ALA 235 N 1.33 1.76 0.15 0.00 0.00 -1.32 -1.90 119.26 119.29 3hea h ALA 235 Ca 0.31 -0.09 -0.29 0.00 0.00 0.00 0.00 54.91 54.83 3hea h ALA 235 Cb 0.08 -0.06 0.02 0.00 0.00 0.00 0.00 17.79 17.83 3hea h ALA 235 CO -0.14 0.18 -1.27 0.93 0.00 0.00 0.00 179.25 178.96 3hea h GLU 236 N 0.16 0.47 0.00 0.00 5.08 -1.31 -3.34 114.58 115.63 3hea h GLU 236 Ca 0.04 -0.70 -0.07 0.00 -1.00 0.00 0.00 59.36 57.63 3hea h GLU 236 Cb 0.15 0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 3hea h GLU 236 CO 0.00 1.31 -0.33 -0.07 -1.00 0.00 0.00 179.01 178.93 3hea h LEU 237 N 0.17 0.00 -8.95 1.33 3.38 -0.74 -3.42 115.31 107.08 3hea h LEU 237 Ca -0.18 0.00 -0.62 0.00 0.09 0.00 0.00 57.88 57.17 3hea h LEU 237 Cb 1.96 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 42.58 3hea h LEU 237 CO 0.23 0.33 -0.05 -0.63 0.09 0.00 0.00 178.44 178.41 3hea s ILE 238 N -3.31 5.08 0.09 1.22 1.01 -0.75 -4.54 121.20 120.01 3hea s ILE 238 Ca 0.03 0.79 -0.31 0.00 0.00 0.00 0.00 60.65 61.15 3hea s ILE 238 Cb 0.09 -3.82 -0.09 0.00 0.01 0.00 0.00 42.46 38.65 3hea s ILE 238 CO 0.69 0.07 1.76 -0.75 0.00 0.00 0.00 174.94 176.71 3hea s LYS 239 N 2.28 4.16 0.00 2.79 2.20 -1.26 -2.22 119.74 127.69 3hea s LYS 239 Ca 0.20 2.48 0.00 0.00 -0.36 0.00 0.00 55.97 58.29 3hea s LYS 239 Cb -0.16 -3.64 0.00 0.00 -1.51 0.00 0.00 37.83 32.53 3hea s LYS 239 CO 0.10 -0.80 0.00 0.41 -0.36 0.00 0.00 175.35 174.69 3hea n GLY 240 N 4.15 0.86 3.76 5.54 0.00 -1.26 -4.88 105.19 113.37 3hea n GLY 240 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 3hea n GLY 240 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hea s ALA 241 N -3.39 3.14 -0.03 4.61 0.00 -0.94 -4.65 121.76 120.50 3hea s ALA 241 Ca 0.00 1.27 -0.04 0.00 0.00 0.00 0.00 51.96 53.19 3hea s ALA 241 Cb 0.00 -3.51 -0.04 0.00 0.00 0.00 0.00 23.12 19.57 3hea s ALA 241 CO 0.00 -0.99 0.19 -2.00 0.00 0.00 0.00 175.76 172.96 3hea s GLU 242 N -2.46 3.46 -0.09 0.00 2.12 0.35 -4.96 118.70 117.13 3hea s GLU 242 Ca 0.61 -0.24 0.04 0.00 0.36 0.00 0.00 54.97 55.75 3hea s GLU 242 Cb -0.39 -3.11 -0.00 0.00 0.26 0.00 0.00 34.13 30.89 3hea s GLU 242 CO 0.49 0.69 -0.24 -1.17 -0.54 0.00 0.00 175.26 174.49 3hea s LEU 243 N -1.73 2.10 -0.12 2.70 2.96 -1.26 0.07 118.68 123.40 3hea s LEU 243 Ca 0.25 -0.54 0.02 0.00 -0.22 0.00 0.00 54.13 53.64 3hea s LEU 243 Cb -0.13 -1.41 0.01 0.00 0.50 0.00 0.00 46.19 45.17 3hea s LEU 243 CO 0.15 0.18 -0.19 -0.54 -1.32 0.00 0.00 176.35 174.63 3hea s LYS 244 N 0.24 2.65 -0.23 1.98 1.02 0.80 -4.96 119.74 121.24 3hea s LYS 244 Ca -0.16 -0.72 -0.07 0.00 0.02 0.00 0.00 55.97 55.04 3hea s LYS 244 Cb -0.17 -2.16 -0.03 0.00 -0.52 0.00 0.00 37.83 34.94 3hea s LYS 244 CO 0.08 -0.02 0.07 0.08 -0.92 0.00 0.00 175.35 174.64 3hea s VAL 245 N 0.85 4.48 -0.38 3.17 1.01 -1.26 -1.91 120.40 126.36 3hea s VAL 245 Ca -0.08 -0.12 -0.22 0.00 0.00 0.00 0.00 61.98 61.55 3hea s VAL 245 Cb -0.15 -3.07 0.01 0.00 0.00 0.00 0.00 36.38 33.16 3hea s VAL 245 CO -0.01 0.37 0.75 -0.31 0.00 0.00 0.00 175.10 175.90 3hea s TYR 246 N 1.26 3.10 0.09 5.22 1.51 -0.42 -4.96 117.35 123.15 3hea s TYR 246 Ca 0.05 0.43 -0.31 0.00 -1.01 0.00 0.00 57.07 56.23 3hea s TYR 246 Cb -0.15 -3.38 -0.10 0.00 -0.11 0.00 0.00 41.96 38.22 3hea s TYR 246 CO 0.04 -0.75 1.88 0.21 -1.11 0.00 0.00 175.55 175.82 3hea s LYS 247 N 3.04 4.14 0.00 -0.62 2.20 -1.26 -2.02 119.74 125.22 3hea s LYS 247 Ca 0.29 2.61 0.00 0.00 -0.36 0.00 0.00 55.97 58.51 3hea s LYS 247 Cb -0.13 -3.79 0.00 0.00 -1.51 0.00 0.00 37.83 32.39 3hea s LYS 247 CO 0.17 -0.89 0.00 -0.25 -0.36 0.00 0.00 175.35 174.03 3hea n ASP 248 N 6.33 -3.58 -4.77 1.43 8.00 -1.26 -4.90 116.55 117.79 3hea n ASP 248 Ca 0.19 0.00 -0.36 0.00 0.71 0.00 0.00 54.79 55.33 3hea n ASP 248 Cb 0.39 -2.33 -0.00 0.00 -0.02 0.00 0.00 41.12 39.16 3hea n ASP 248 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3hea s ALA 249 N -1.49 2.78 0.79 2.24 0.00 -0.85 -4.32 121.76 120.91 3hea s ALA 249 Ca 0.00 0.85 -0.04 0.00 0.00 0.00 0.00 51.96 52.77 3hea s ALA 249 Cb 0.00 -3.36 0.07 0.00 0.00 0.00 0.00 23.12 19.83 3hea s ALA 249 CO 0.00 -0.72 0.46 -0.35 0.00 0.00 0.00 175.76 175.15 3hea n PRO 250 N -1.05 -0.14 -0.13 0.00 -0.04 -1.26 -1.80 135.00 130.57 3hea n PRO 250 Ca 0.10 -0.92 -0.10 0.00 -0.04 0.00 0.00 63.50 62.55 3hea n PRO 250 Cb 0.50 -0.42 -0.01 0.00 -0.04 0.00 0.00 33.50 33.53 3hea n PRO 250 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 3hea h HIS 251 N -0.94 0.67 -0.22 0.54 -0.00 -1.75 -3.28 115.15 110.16 3hea h HIS 251 Ca -0.15 -0.09 -0.20 0.00 -0.00 0.00 0.00 60.37 59.93 3hea h HIS 251 Cb 0.47 -0.18 -0.08 0.00 -0.00 0.00 0.00 27.41 27.62 3hea h HIS 251 CO 0.00 0.66 -0.07 0.41 -0.00 0.00 0.00 177.93 178.93 3hea n GLY 252 N -0.52 3.20 0.00 5.26 0.00 0.29 -4.59 105.19 108.83 3hea n GLY 252 Ca -0.01 -0.98 0.11 0.00 0.00 0.00 0.00 46.02 45.14 3hea n GLY 252 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 3hea n PHE 253 N 1.74 0.00 0.29 1.61 1.16 -1.24 -2.03 117.46 118.99 3hea n PHE 253 Ca 0.31 0.00 0.17 0.00 -1.87 0.00 0.00 57.45 56.06 3hea n PHE 253 Cb 0.71 -0.43 0.81 0.00 -1.61 0.00 0.00 39.48 38.95 3hea n PHE 253 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 3hea h ALA 254 N 2.85 1.05 0.00 1.98 0.00 -1.87 0.27 119.26 123.53 3hea h ALA 254 Ca 0.00 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 3hea h ALA 254 Cb 0.32 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3hea h ALA 254 CO 0.00 0.05 -0.73 0.28 0.00 0.00 0.00 179.25 178.85 3hea n VAL 255 N -3.21 1.45 0.20 0.00 0.31 -0.86 -3.77 118.33 112.44 3hea n VAL 255 Ca -0.01 0.15 0.04 0.00 -0.01 0.00 0.00 64.34 64.51 3hea n VAL 255 Cb 0.25 -2.31 0.40 0.00 -0.91 0.00 0.00 33.84 31.27 3hea n VAL 255 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 3hea h THR 256 N -1.00 1.14 -0.82 2.52 1.35 -1.48 -3.09 112.91 111.52 3hea h THR 256 Ca -0.09 -1.21 -0.51 0.00 -0.55 0.00 0.00 66.41 64.05 3hea h THR 256 Cb 0.72 1.67 -0.42 0.00 -1.73 0.00 0.00 68.15 68.39 3hea h THR 256 CO -0.05 0.33 -0.85 1.41 -0.25 0.00 0.00 175.52 176.10 3hea n HIS 257 N -3.98 2.61 0.01 4.73 -0.00 0.93 -4.92 115.22 114.61 3hea n HIS 257 Ca -0.02 -2.35 -0.10 0.00 -0.00 0.00 0.00 57.72 55.25 3hea n HIS 257 Cb 0.40 -0.29 -0.04 0.00 -0.00 0.00 0.00 29.99 30.06 3hea n HIS 257 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3hea h ALA 258 N 2.31 -0.08 -0.23 -1.41 0.00 -1.56 -1.04 119.26 117.25 3hea h ALA 258 Ca 0.28 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.22 3hea h ALA 258 Cb 1.41 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 19.46 3hea h ALA 258 CO 0.69 -0.60 0.09 0.37 0.00 0.00 0.00 179.25 179.80 3hea h GLN 259 N -0.19 0.34 -0.57 0.00 4.15 -1.89 0.11 115.11 117.07 3hea h GLN 259 Ca 0.08 -0.06 0.06 0.00 0.77 0.00 0.00 58.65 59.49 3hea h GLN 259 Cb 0.30 -0.05 -0.05 0.00 0.21 0.00 0.00 27.48 27.88 3hea h GLN 259 CO -0.20 0.40 0.27 0.37 -1.93 0.00 0.00 178.83 177.74 3hea h GLN 260 N 0.21 0.50 -0.26 1.69 4.15 -1.93 -0.72 115.11 118.76 3hea h GLN 260 Ca 0.08 -0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.45 3hea h GLN 260 Cb 0.18 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 27.75 3hea h GLN 260 CO -0.01 0.33 0.11 1.25 -1.93 0.00 0.00 178.83 178.58 3hea h LEU 261 N 0.52 0.36 -0.47 -2.39 5.85 -0.89 -0.83 115.31 117.46 3hea h LEU 261 Ca 0.26 -0.16 0.09 0.00 0.84 0.00 0.00 57.88 58.91 3hea h LEU 261 Cb 0.21 -0.09 -0.07 0.00 0.37 0.00 0.00 40.66 41.07 3hea h LEU 261 CO -0.20 0.42 0.03 0.78 -0.34 0.00 0.00 178.44 179.14 3hea h ASN 262 N 0.28 -0.13 -0.35 1.25 2.35 -0.39 -0.64 115.58 117.95 3hea h ASN 262 Ca 0.09 0.10 -0.10 0.00 -0.55 0.00 0.00 56.30 55.84 3hea h ASN 262 Cb 0.17 0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.69 3hea h ASN 262 CO -0.01 -0.03 -0.15 -0.33 -1.65 0.00 0.00 177.43 175.26 3hea h GLU 263 N 0.15 0.81 -0.55 0.81 5.08 -0.94 -1.85 114.58 118.09 3hea h GLU 263 Ca 0.24 -0.29 -0.10 0.00 -1.00 0.00 0.00 59.36 58.20 3hea h GLU 263 Cb 0.34 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 3hea h GLU 263 CO -0.36 0.91 -0.06 -0.44 -1.00 0.00 0.00 179.01 178.06 3hea h ASP 264 N 0.72 0.98 -0.51 1.42 3.32 -0.78 -1.34 116.42 120.23 3hea h ASP 264 Ca 0.11 -0.30 -0.03 0.00 0.02 0.00 0.00 57.03 56.84 3hea h ASP 264 Cb 0.66 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.92 3hea h ASP 264 CO 0.05 1.06 0.21 -0.07 -1.72 0.00 0.00 179.24 178.77 3hea h LEU 265 N 0.89 0.69 -0.26 1.55 3.38 -0.95 -1.16 115.31 119.46 3hea h LEU 265 Ca 0.15 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 3hea h LEU 265 Cb 0.60 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 3hea h LEU 265 CO 0.04 0.66 0.12 0.25 0.09 0.00 0.00 178.44 179.60 3hea h LEU 266 N 0.68 0.34 -0.68 1.67 5.85 -1.22 -1.50 115.31 120.44 3hea h LEU 266 Ca 0.17 -0.14 0.04 0.00 0.84 0.00 0.00 57.88 58.79 3hea h LEU 266 Cb 0.18 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.07 3hea h LEU 266 CO -0.02 0.39 0.41 0.00 -0.34 0.00 0.00 178.44 178.88 3hea h ALA 267 N 0.97 0.90 -0.40 1.25 0.00 -1.13 -0.11 119.26 120.74 3hea h ALA 267 Ca 0.09 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3hea h ALA 267 Cb 0.14 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3hea h ALA 267 CO -0.01 0.16 0.23 0.35 0.00 0.00 0.00 179.25 179.97 3hea h PHE 268 N 0.80 0.54 -0.25 0.00 3.57 -1.00 -1.90 116.94 118.69 3hea h PHE 268 Ca 0.28 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.73 3hea h PHE 268 Cb 0.07 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 38.62 3hea h PHE 268 CO -0.05 0.40 -0.03 -0.07 -2.23 0.00 0.00 178.31 176.33 3hea h LEU 269 N 0.51 0.35 -1.68 0.59 3.38 -0.72 -2.42 115.31 115.33 3hea h LEU 269 Ca 0.14 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3hea h LEU 269 Cb 0.03 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.69 3hea h LEU 269 CO -0.02 0.44 0.00 0.29 0.09 0.00 0.00 178.44 179.23 3hea n LYS 270 N -4.31 2.10 0.00 1.13 5.02 -0.11 -5.10 118.16 116.90 3hea n LYS 270 Ca 0.00 -1.61 0.00 0.00 -2.02 0.00 0.00 58.31 54.69 3hea n LYS 270 Cb 0.23 -1.38 0.00 0.00 -0.02 0.00 0.00 35.03 33.86 3hea n LYS 270 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77