#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 0.14 0.11 0.44 -4.23 -1.26 -1.00 115.64 109.84 3hea s THR 2 Ca 0.00 -1.12 0.01 0.00 -1.18 0.00 0.00 61.69 59.41 3hea s THR 2 Cb 0.00 -0.71 -0.04 0.00 1.34 0.00 0.00 72.50 73.09 3hea s THR 2 CO 0.00 -0.61 -0.03 0.72 -0.54 0.00 0.00 174.62 174.15 3hea s PHE 3 N -2.27 0.92 -0.21 3.99 -0.12 -0.79 -4.97 117.98 114.54 3hea s PHE 3 Ca -0.08 -0.99 -0.05 0.00 -0.05 0.00 0.00 56.93 55.76 3hea s PHE 3 Cb -0.04 -0.54 -0.02 0.00 -0.63 0.00 0.00 43.02 41.79 3hea s PHE 3 CO -0.04 -0.23 -0.01 0.08 -0.05 0.00 0.00 175.22 174.98 3hea s VAL 4 N -3.71 3.81 0.98 -2.49 1.01 -1.26 -0.23 120.40 118.52 3hea s VAL 4 Ca 0.15 -0.35 -0.12 0.00 0.00 0.00 0.00 61.98 61.66 3hea s VAL 4 Cb 0.06 -2.73 0.18 0.00 0.00 0.00 0.00 36.38 33.88 3hea s VAL 4 CO -0.03 0.42 1.09 0.00 0.00 0.00 0.00 175.10 176.58 3hea s ALA 5 N 1.21 1.01 0.33 5.51 0.00 0.47 -4.86 121.76 125.42 3hea s ALA 5 Ca 0.03 -0.19 0.09 0.00 0.00 0.00 0.00 51.96 51.89 3hea s ALA 5 Cb -0.15 -3.17 0.81 0.00 0.00 0.00 0.00 23.12 20.62 3hea s ALA 5 CO 0.01 -2.79 1.80 -0.22 0.00 0.00 0.00 175.76 174.56 3hea h LYS 6 N -1.86 0.67 -0.16 0.00 3.64 -1.96 -0.82 116.57 116.08 3hea h LYS 6 Ca -0.53 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.81 3hea h LYS 6 Cb 1.31 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.98 3hea h LYS 6 CO 0.55 0.45 0.00 -0.40 -2.27 0.00 0.00 179.45 177.78 3hea n ASP 7 N -4.69 1.32 0.00 4.20 5.75 -1.26 -4.89 116.55 116.97 3hea n ASP 7 Ca 0.22 -1.73 0.00 0.00 -0.01 0.00 0.00 54.79 53.27 3hea n ASP 7 Cb 0.59 -0.11 0.00 0.00 -1.03 0.00 0.00 41.12 40.58 3hea n ASP 7 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3hea n GLY 8 N 1.02 0.41 3.65 6.12 0.00 -0.31 -5.05 105.19 111.02 3hea n GLY 8 Ca 0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.00 4.01 -0.00 2.61 2.01 -1.25 -4.71 115.64 116.30 3hea s THR 9 Ca 0.00 1.20 -0.30 0.00 0.31 0.00 0.00 61.69 62.89 3hea s THR 9 Cb 0.00 -3.84 -0.05 0.00 0.01 0.00 0.00 72.50 68.62 3hea s THR 9 CO 0.00 -0.18 1.31 -1.58 -0.69 0.00 0.00 174.62 173.48 3hea s GLN 10 N 3.89 4.32 -0.18 4.92 0.74 -1.26 -0.40 119.66 131.70 3hea s GLN 10 Ca 0.62 1.86 -0.01 0.00 0.05 0.00 0.00 55.36 57.87 3hea s GLN 10 Cb -0.24 -3.52 -0.00 0.00 1.10 0.00 0.00 33.01 30.34 3hea s GLN 10 CO 0.21 -0.49 -0.12 0.42 -0.55 0.00 0.00 175.29 174.77 3hea s ILE 11 N 2.10 2.90 0.14 -2.34 1.01 0.68 -1.16 121.20 124.53 3hea s ILE 11 Ca 0.61 -0.68 -0.25 0.00 0.00 0.00 0.00 60.65 60.32 3hea s ILE 11 Cb -0.29 -2.26 -0.07 0.00 0.01 0.00 0.00 42.46 39.85 3hea s ILE 11 CO 0.26 0.49 0.78 -0.47 0.00 0.00 0.00 174.94 176.00 3hea s TYR 12 N 1.01 3.87 0.12 3.97 5.04 -1.26 -1.89 117.35 128.21 3hea s TYR 12 Ca -0.01 1.61 -0.10 0.00 -2.44 0.00 0.00 57.07 56.13 3hea s TYR 12 Cb -0.15 -2.79 0.00 0.00 0.35 0.00 0.00 41.96 39.38 3hea s TYR 12 CO -0.02 0.46 0.26 -0.59 -1.34 0.00 0.00 175.55 174.32 3hea s PHE 13 N -0.89 0.15 0.02 4.97 -0.71 -0.17 -0.11 117.98 121.23 3hea s PHE 13 Ca 0.37 -0.54 0.06 0.00 -1.04 0.00 0.00 56.93 55.78 3hea s PHE 13 Cb -0.23 0.01 -0.03 0.00 -1.21 0.00 0.00 43.02 41.57 3hea s PHE 13 CO 0.26 -0.64 -0.18 0.15 -1.34 0.00 0.00 175.22 173.48 3hea s LYS 14 N -3.88 2.18 -0.28 1.99 1.02 0.96 -1.25 119.74 120.48 3hea s LYS 14 Ca 0.08 -0.91 -0.02 0.00 0.02 0.00 0.00 55.97 55.15 3hea s LYS 14 Cb 0.04 -2.23 0.09 0.00 -0.52 0.00 0.00 37.83 35.21 3hea s LYS 14 CO -0.08 0.56 0.09 0.34 -0.92 0.00 0.00 175.35 175.34 3hea s ASP 15 N -1.22 3.68 -0.03 2.83 -1.08 -1.26 -1.65 116.67 117.93 3hea s ASP 15 Ca 0.14 -1.38 0.04 0.00 -0.52 0.00 0.00 52.55 50.83 3hea s ASP 15 Cb -0.10 -0.70 -0.03 0.00 -1.46 0.00 0.00 42.92 40.63 3hea s ASP 15 CO 0.04 -0.39 -0.15 0.26 0.52 0.00 0.00 175.17 175.44 3hea s TRP 16 N 1.77 2.68 0.00 -5.34 0.51 0.60 -4.97 118.94 114.18 3hea s TRP 16 Ca 0.07 -0.18 0.00 0.00 -2.12 0.00 0.00 56.10 53.87 3hea s TRP 16 Cb -0.17 -1.60 0.00 0.00 -0.81 0.00 0.00 33.47 30.89 3hea s TRP 16 CO -0.24 0.20 0.00 0.41 -0.51 0.00 0.00 176.95 176.81 3hea n GLY 17 N 2.17 -1.96 3.17 0.98 0.00 -1.26 -0.40 105.19 107.89 3hea n GLY 17 Ca -0.17 -1.38 -0.10 0.00 0.00 0.00 0.00 46.02 44.38 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 -3.95 0.27 0.00 1.61 1.04 -1.25 -4.69 113.70 106.72 3hea s SER 18 Ca 0.00 -1.19 0.00 0.00 0.48 0.00 0.00 55.95 55.24 3hea s SER 18 Cb 0.00 0.32 0.00 0.00 0.10 0.00 0.00 66.02 66.44 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 -0.12 -0.12 3.74 7.32 0.00 -1.26 -2.91 105.19 111.84 3hea n GLY 19 Ca -0.05 -2.21 -0.41 0.00 0.00 0.00 0.00 46.02 43.35 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 4.21 0.17 1.61 -0.14 -1.26 -4.19 119.74 120.15 3hea s LYS 20 Ca 0.00 2.40 -0.24 0.00 -1.36 0.00 0.00 55.97 56.76 3hea s LYS 20 Cb 0.00 -3.08 -0.08 0.00 -1.68 0.00 0.00 37.83 32.99 3hea s LYS 20 CO 0.00 -0.50 0.77 -1.25 -0.76 0.00 0.00 175.35 173.60 3hea s PRO 21 N -0.31 4.52 -0.16 -1.68 0.04 -1.26 -1.67 135.00 134.48 3hea s PRO 21 Ca 0.61 1.12 0.00 0.00 0.04 0.00 0.00 61.00 62.78 3hea s PRO 21 Cb -0.44 -3.21 0.02 0.00 0.04 0.00 0.00 34.50 30.92 3hea s PRO 21 CO 0.44 0.55 -0.15 0.08 0.04 0.00 0.00 177.00 177.96 3hea s VAL 22 N -1.20 1.66 -0.22 -0.36 1.01 0.13 -1.73 120.40 119.68 3hea s VAL 22 Ca 0.37 -0.72 -0.05 0.00 0.00 0.00 0.00 61.98 61.57 3hea s VAL 22 Cb -0.22 -1.56 -0.02 0.00 0.00 0.00 0.00 36.38 34.58 3hea s VAL 22 CO 0.25 0.44 0.01 -0.22 0.00 0.00 0.00 175.10 175.58 3hea s LEU 23 N 1.45 3.19 -0.15 3.92 0.20 -0.21 -0.59 118.68 126.48 3hea s LEU 23 Ca 0.04 -0.27 -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 43.76 3hea s LEU 23 CO -0.11 0.01 0.10 -0.36 -0.29 0.00 0.00 176.35 175.70 3hea s PHE 24 N 1.35 3.41 -0.25 5.38 0.40 0.10 -0.57 117.98 127.79 3hea s PHE 24 Ca 0.04 0.32 0.02 0.00 -0.60 0.00 0.00 56.93 56.71 3hea s PHE 24 Cb -0.15 -2.01 0.05 0.00 0.51 0.00 0.00 43.02 41.42 3hea s PHE 24 CO 0.01 0.44 -0.10 0.45 0.70 0.00 0.00 175.22 176.72 3hea s SER 25 N -0.31 4.30 0.81 1.36 0.15 0.58 -3.80 113.70 116.79 3hea s SER 25 Ca 0.10 -1.22 -0.11 0.00 0.70 0.00 0.00 55.95 55.42 3hea s SER 25 Cb -0.12 -1.57 0.08 0.00 -1.71 0.00 0.00 66.02 62.70 3hea s SER 25 CO 0.01 -0.17 1.09 -1.38 1.20 0.00 0.00 173.24 174.00 3hea s HIS 26 N 1.17 2.66 0.69 3.44 -3.43 -1.26 -1.85 115.29 116.72 3hea s HIS 26 Ca -0.06 1.29 -0.03 0.00 -0.80 0.00 0.00 55.06 55.47 3hea s HIS 26 Cb -0.19 -3.09 0.10 0.00 -1.43 0.00 0.00 32.58 27.97 3hea s HIS 26 CO -0.06 -1.90 0.97 0.20 -2.00 0.00 0.00 174.74 171.96 3hea s GLY 27 N -3.65 1.76 0.23 -1.38 0.00 -1.18 -3.17 107.32 99.93 3hea s GLY 27 Ca 0.61 -1.42 -0.27 0.00 0.00 0.00 0.00 44.72 43.65 3hea s GLY 27 CO 0.55 -0.94 0.86 0.86 0.00 0.00 0.00 173.10 174.44 3hea s TRP 28 N -3.13 3.87 -0.88 1.90 -0.00 -1.26 -1.38 118.94 118.06 3hea s TRP 28 Ca 0.63 1.74 0.01 0.00 -0.00 0.00 0.00 56.10 58.49 3hea s TRP 28 Cb -0.08 -2.86 0.32 0.00 -0.00 0.00 0.00 33.47 30.86 3hea s TRP 28 CO 0.44 0.42 1.49 -0.35 -0.00 0.00 0.00 176.95 178.95 3hea n PRO 29 N 1.26 4.60 0.00 5.86 -0.04 -1.26 -4.99 135.00 140.43 3hea n PRO 29 Ca -0.02 -4.72 0.00 0.00 -0.04 0.00 0.00 63.50 58.71 3hea n PRO 29 Cb 0.49 -2.39 0.00 0.00 -0.04 0.00 0.00 33.50 31.55 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 0.01 0.00 0.00 1.53 4.77 -0.48 -3.90 117.00 118.93 3hea n LEU 30 Ca 0.40 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 56.37 3hea n LEU 30 Cb 0.31 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.40 3hea n LEU 30 CO 0.47 0.00 0.04 -0.90 -1.33 0.00 0.00 177.39 175.67 3hea n ASP 31 N 0.00 -0.15 0.31 -1.43 5.68 -1.26 -4.26 116.55 115.44 3hea n ASP 31 Ca 0.00 -1.10 0.19 0.00 -0.50 0.00 0.00 54.79 53.38 3hea n ASP 31 Cb 0.00 0.25 1.05 0.00 -1.14 0.00 0.00 41.12 41.28 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 2.00 1.29 0.00 2.12 0.00 -1.91 -2.35 119.26 120.41 3hea h ALA 32 Ca -0.02 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 3hea h ALA 32 Cb 0.08 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 3hea h ALA 32 CO 0.03 -0.06 -0.01 -0.44 0.00 0.00 0.00 179.25 178.76 3hea h ASP 33 N 0.00 0.00 0.30 0.00 5.19 -1.96 -1.93 116.42 118.03 3hea h ASP 33 Ca 0.01 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.42 3hea h ASP 33 Cb 0.11 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.62 3hea h ASP 33 CO -0.00 0.01 0.00 0.00 -3.12 0.00 0.00 179.24 176.13 3hea h MET 34 N 0.00 0.00 -0.02 3.56 -0.00 -1.84 -2.26 114.93 114.37 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 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.83 3hea h MET 34 CO 0.00 0.00 -0.19 0.91 -0.00 0.00 0.00 176.91 177.63 3hea n TRP 35 N -2.80 0.00 -0.29 -0.10 7.02 -0.72 -4.68 117.44 115.86 3hea n TRP 35 Ca -0.01 0.00 0.13 0.00 -1.02 0.00 0.00 57.50 56.60 3hea n TRP 35 Cb 0.13 -0.01 0.38 0.00 -2.42 0.00 0.00 31.31 29.38 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 3.36 0.67 -0.08 -0.99 4.11 -1.53 0.08 114.58 120.21 3hea h GLU 36 Ca 0.00 -0.04 -0.20 0.00 0.07 0.00 0.00 59.36 59.19 3hea h GLU 36 Cb 0.82 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.92 3hea h GLU 36 CO 0.00 0.44 -0.77 1.88 0.07 0.00 0.00 179.01 180.63 3hea h TYR 37 N 0.69 0.64 -0.33 2.06 0.05 -1.84 -1.64 116.97 116.60 3hea h TYR 37 Ca 0.49 -0.29 -0.14 0.00 0.05 0.00 0.00 58.73 58.84 3hea h TYR 37 Cb 0.82 -0.09 -0.01 0.00 1.01 0.00 0.00 36.73 38.46 3hea h TYR 37 CO -0.00 1.07 -0.35 1.96 -1.05 0.00 0.00 178.16 179.78 3hea h GLN 38 N 0.31 0.76 -0.16 4.88 7.50 -1.47 -1.62 115.11 125.31 3hea h GLN 38 Ca -0.04 -0.37 -0.02 0.00 0.50 0.00 0.00 58.65 58.71 3hea h GLN 38 Cb 1.36 -0.00 -0.01 0.00 0.05 0.00 0.00 27.48 28.89 3hea h GLN 38 CO 0.14 1.00 0.02 0.52 -1.50 0.00 0.00 178.83 179.00 3hea h MET 39 N 0.64 0.27 -0.68 1.46 2.86 -1.02 -1.07 114.93 117.39 3hea h MET 39 Ca 0.06 -0.08 -0.03 0.00 -2.06 0.00 0.00 59.70 57.60 3hea h MET 39 Cb 0.89 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.49 3hea h MET 39 CO 0.08 0.46 0.32 1.49 1.06 0.00 0.00 176.91 180.32 3hea h GLU 40 N 0.05 0.98 0.03 1.72 4.22 -1.31 0.48 114.58 120.74 3hea h GLU 40 Ca 0.05 -0.15 0.00 0.00 0.08 0.00 0.00 59.36 59.34 3hea h GLU 40 Cb 0.33 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.40 3hea h GLU 40 CO 0.00 0.79 -0.02 -0.92 -2.18 0.00 0.00 179.01 176.68 3hea h TYR 41 N 0.95 -0.06 -0.04 0.92 3.20 -1.17 -1.98 116.97 118.79 3hea h TYR 41 Ca 0.23 0.00 -0.26 0.00 3.14 0.00 0.00 58.73 61.85 3hea h TYR 41 Cb 0.14 0.02 0.02 0.00 1.54 0.00 0.00 36.73 38.45 3hea h TYR 41 CO 0.01 -0.04 -0.97 -0.07 -1.64 0.00 0.00 178.16 175.44 3hea h LEU 42 N -0.06 0.91 -1.36 2.82 3.38 -1.10 -3.19 115.31 116.72 3hea h LEU 42 Ca 0.00 -0.70 -0.02 0.00 0.09 0.00 0.00 57.88 57.26 3hea h LEU 42 Cb 0.05 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.52 3hea h LEU 42 CO -0.00 1.50 -0.08 0.28 0.09 0.00 0.00 178.44 180.22 3hea h SER 43 N 0.43 0.00 0.01 -0.43 0.02 -0.90 -0.54 113.55 112.14 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 1.62 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.16 3hea h SER 43 CO 0.19 0.08 -0.01 -1.54 -1.14 0.00 0.00 176.83 174.42 3hea n SER 44 N -3.22 0.99 -0.63 3.07 3.41 -0.75 -3.74 113.62 112.75 3hea n SER 44 Ca 0.00 -1.30 0.06 0.00 -0.26 0.00 0.00 58.87 57.37 3hea n SER 44 Cb 0.34 0.00 0.19 0.00 -0.26 0.00 0.00 64.21 64.49 3hea n SER 44 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3hea n ARG 45 N -0.25 1.44 -0.43 4.33 1.74 -0.25 -4.98 116.66 118.27 3hea n ARG 45 Ca 0.20 -3.15 0.00 0.00 -0.77 0.00 0.00 57.85 54.13 3hea n ARG 45 Cb 0.28 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.23 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 -1.02 0.75 3.50 -0.13 0.00 -1.11 -5.01 105.19 102.17 3hea n GLY 46 Ca 0.18 -0.32 -0.26 0.00 0.00 0.00 0.00 46.02 45.62 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 2.45 -0.21 1.61 2.02 -0.97 -4.28 117.35 115.97 3hea s TYR 47 Ca 0.00 -0.29 -0.13 0.00 -0.37 0.00 0.00 57.07 56.27 3hea s TYR 47 Cb 0.00 -1.18 -0.04 0.00 -0.40 0.00 0.00 41.96 40.34 3hea s TYR 47 CO 0.00 0.55 0.29 0.50 -1.57 0.00 0.00 175.55 175.31 3hea s ARG 48 N -2.93 4.14 -0.06 -0.62 3.52 -0.67 -3.74 118.95 118.59 3hea s ARG 48 Ca 0.24 -0.01 0.04 0.00 -0.13 0.00 0.00 55.73 55.88 3hea s ARG 48 Cb -0.08 -3.52 -0.02 0.00 -1.56 0.00 0.00 34.95 29.77 3hea s ARG 48 CO 0.13 0.04 -0.18 0.95 -0.81 0.00 0.00 175.30 175.44 3hea s THR 49 N 1.09 2.71 -0.04 4.11 -4.23 0.47 0.17 115.64 119.92 3hea s THR 49 Ca 0.14 -0.84 0.02 0.00 -1.18 0.00 0.00 61.69 59.83 3hea s THR 49 Cb -0.14 -2.05 0.01 0.00 1.34 0.00 0.00 72.50 71.66 3hea s THR 49 CO 0.06 0.57 -0.09 -0.63 -0.54 0.00 0.00 174.62 173.99 3hea s ILE 50 N -0.37 0.80 -0.06 2.99 1.09 0.24 -0.29 121.20 125.60 3hea s ILE 50 Ca 0.03 -0.33 -0.05 0.00 -1.10 0.00 0.00 60.65 59.21 3hea s ILE 50 Cb -0.12 -0.74 0.02 0.00 -1.06 0.00 0.00 42.46 40.56 3hea s ILE 50 CO 0.02 0.26 0.15 0.00 -0.10 0.00 0.00 174.94 175.28 3hea s ALA 51 N 0.47 -0.36 0.24 9.38 0.00 -0.66 0.02 121.76 130.84 3hea s ALA 51 Ca -0.08 0.47 0.11 0.00 0.00 0.00 0.00 51.96 52.45 3hea s ALA 51 Cb -0.12 -0.28 -0.05 0.00 0.00 0.00 0.00 23.12 22.68 3hea s ALA 51 CO 0.01 -0.08 -0.13 -0.59 0.00 0.00 0.00 175.76 174.97 3hea s PHE 52 N 0.23 2.48 -0.25 0.00 -0.71 -1.25 -0.03 117.98 118.45 3hea s PHE 52 Ca -0.01 -0.28 -0.20 0.00 -1.04 0.00 0.00 56.93 55.40 3hea s PHE 52 Cb -0.02 -1.14 -0.02 0.00 -1.21 0.00 0.00 43.02 40.62 3hea s PHE 52 CO -0.01 0.60 0.59 -0.51 -1.34 0.00 0.00 175.22 174.56 3hea s ASP 53 N -3.23 6.54 0.55 1.98 1.01 0.85 -3.83 116.67 120.54 3hea s ASP 53 Ca 0.27 0.66 -0.21 0.00 0.71 0.00 0.00 52.55 53.99 3hea s ASP 53 Cb -0.07 -2.32 -0.06 0.00 1.01 0.00 0.00 42.92 41.49 3hea s ASP 53 CO 0.15 -0.33 1.15 -1.14 0.21 0.00 0.00 175.17 175.21 3hea n ARG 54 N 5.55 1.31 -1.59 8.23 0.63 -1.26 -4.35 116.66 125.17 3hea n ARG 54 Ca -0.02 0.49 -0.49 0.00 -0.92 0.00 0.00 57.85 56.91 3hea n ARG 54 Cb 0.49 -2.33 -0.04 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 -0.84 1.28 -0.47 -0.14 1.85 -1.26 -0.86 116.66 116.22 3hea n ARG 55 Ca 0.12 0.46 0.00 0.00 -1.00 0.00 0.00 57.85 57.42 3hea n ARG 55 Cb 0.45 -2.00 0.00 0.00 -1.05 0.00 0.00 32.46 29.86 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 2.11 0.97 3.25 2.89 0.00 -0.13 -4.96 105.19 109.33 3hea n GLY 56 Ca 0.15 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.99 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 -3.05 1.43 0.00 1.61 0.40 -0.04 0.02 117.98 118.34 3hea s PHE 57 Ca 0.00 -0.56 0.00 0.00 -0.60 0.00 0.00 56.93 55.77 3hea s PHE 57 Cb 0.00 -0.74 0.00 0.00 0.51 0.00 0.00 43.02 42.79 3hea s PHE 57 CO 0.00 0.16 0.00 0.41 0.70 0.00 0.00 175.22 176.49 3hea n GLY 58 N 0.45 3.31 0.69 4.36 0.00 -1.26 -1.87 105.19 110.87 3hea n GLY 58 Ca -0.15 0.00 0.10 0.00 0.00 0.00 0.00 46.02 45.97 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 1.90 -2.34 1.61 1.74 -1.26 -4.64 116.66 127.67 3hea n ARG 59 Ca 0.00 -1.36 -0.28 0.00 -0.77 0.00 0.00 57.85 55.43 3hea n ARG 59 Cb 0.00 -1.39 0.01 0.00 -1.02 0.00 0.00 32.46 30.06 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 -1.41 6.04 0.90 0.55 0.01 -0.78 -4.55 113.70 114.46 3hea s SER 60 Ca 0.32 1.01 -0.10 0.00 1.31 0.00 0.00 55.95 58.49 3hea s SER 60 Cb 0.17 -2.15 0.13 0.00 0.21 0.00 0.00 66.02 64.38 3hea s SER 60 CO 0.25 -0.81 1.12 -1.81 0.41 0.00 0.00 173.24 172.39 3hea s ASP 61 N -4.19 3.18 -0.73 2.44 1.01 -0.31 -4.51 116.67 113.57 3hea s ASP 61 Ca 0.51 1.99 0.04 0.00 0.71 0.00 0.00 52.55 55.81 3hea s ASP 61 Cb -0.11 -2.51 0.19 0.00 1.01 0.00 0.00 42.92 41.51 3hea s ASP 61 CO 0.48 -2.90 0.59 0.00 0.21 0.00 0.00 175.17 173.55 3hea n GLN 62 N -4.09 2.10 -2.29 8.23 6.02 -1.26 -0.95 117.38 125.14 3hea n GLN 62 Ca 0.10 -4.53 -0.37 0.00 -0.01 0.00 0.00 57.00 52.19 3hea n GLN 62 Cb 0.53 -2.30 -0.01 0.00 1.02 0.00 0.00 30.24 29.47 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 -1.67 3.82 0.21 -1.09 0.04 -1.26 -4.95 135.00 130.10 3hea s PRO 63 Ca 0.28 1.75 0.02 0.00 0.04 0.00 0.00 61.00 63.09 3hea s PRO 63 Cb -0.01 -2.43 0.18 0.00 0.04 0.00 0.00 34.50 32.28 3hea s PRO 63 CO -0.13 -0.49 1.52 2.35 0.04 0.00 0.00 177.00 180.28 3hea h TRP 64 N 2.13 0.42 -2.05 0.56 2.91 -2.00 -3.45 115.95 114.46 3hea h TRP 64 Ca -0.49 -0.16 -0.51 0.00 1.13 0.00 0.00 58.89 58.86 3hea h TRP 64 Cb 1.24 -0.07 -0.05 0.00 -0.51 0.00 0.00 29.16 29.77 3hea h TRP 64 CO 0.54 0.86 -0.50 0.95 -1.03 0.00 0.00 178.44 179.26 3hea s THR 65 N -3.75 3.99 0.00 2.65 -4.23 -1.26 -4.68 115.64 108.35 3hea s THR 65 Ca -0.05 -1.43 0.00 0.00 -1.18 0.00 0.00 61.69 59.03 3hea s THR 65 Cb 0.11 -3.27 0.00 0.00 1.34 0.00 0.00 72.50 70.68 3hea s THR 65 CO 0.81 -0.28 0.00 0.61 -0.54 0.00 0.00 174.62 175.22 3hea n GLY 66 N -1.23 0.54 2.67 3.99 0.00 -1.26 -4.95 105.19 104.94 3hea n GLY 66 Ca -0.05 -0.48 -0.41 0.00 0.00 0.00 0.00 46.02 45.08 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 0.86 5.82 -3.77 1.61 3.02 -1.26 -4.51 115.26 117.03 3hea n ASN 67 Ca 0.00 -2.95 -0.10 0.00 -0.03 0.00 0.00 54.58 51.51 3hea n ASN 67 Cb 0.00 -1.53 -0.06 0.00 -0.61 0.00 0.00 39.78 37.59 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 1.69 -0.06 0.28 6.41 1.47 -1.26 -4.58 116.67 120.61 3hea s ASP 68 Ca 0.49 -0.53 -0.01 0.00 1.18 0.00 0.00 52.55 53.68 3hea s ASP 68 Cb 0.14 0.43 0.41 0.00 -0.34 0.00 0.00 42.92 43.55 3hea s ASP 68 CO -0.05 -0.83 1.84 1.88 0.68 0.00 0.00 175.17 178.70 3hea h TYR 69 N 2.52 0.88 -0.64 2.11 0.05 -1.93 -0.79 116.97 119.19 3hea h TYR 69 Ca -0.33 -0.07 0.02 0.00 0.05 0.00 0.00 58.73 58.40 3hea h TYR 69 Cb 1.23 -0.26 -0.04 0.00 1.01 0.00 0.00 36.73 38.67 3hea h TYR 69 CO 0.38 0.71 0.40 -0.44 -1.05 0.00 0.00 178.16 178.15 3hea h ASP 70 N 0.84 0.66 -0.44 3.88 3.32 -1.96 0.13 116.42 122.85 3hea h ASP 70 Ca 0.19 -0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.16 3hea h ASP 70 Cb 0.24 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 3hea h ASP 70 CO -0.01 0.46 -0.05 0.74 -1.72 0.00 0.00 179.24 178.66 3hea h THR 71 N 0.79 1.27 -0.46 0.35 2.02 -1.69 -1.62 112.91 113.57 3hea h THR 71 Ca 0.25 -1.13 0.03 0.00 0.77 0.00 0.00 66.41 66.33 3hea h THR 71 Cb -0.01 1.11 -0.03 0.00 -1.74 0.00 0.00 68.15 67.48 3hea h THR 71 CO -0.09 0.39 0.25 -0.26 0.37 0.00 0.00 175.52 176.17 3hea h PHE 72 N 0.65 0.46 -0.92 3.16 0.04 -0.78 0.11 116.94 119.65 3hea h PHE 72 Ca 0.12 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.91 3hea h PHE 72 Cb 0.57 -0.14 -0.05 0.00 2.20 0.00 0.00 35.95 38.53 3hea h PHE 72 CO 0.04 0.25 0.60 0.00 -0.60 0.00 0.00 178.31 178.60 3hea h ALA 73 N 1.22 1.17 -0.01 2.45 0.00 -0.66 -2.17 119.26 121.27 3hea h ALA 73 Ca 0.19 -0.08 -0.14 0.00 0.00 0.00 0.00 54.91 54.89 3hea h ALA 73 Cb 0.06 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 3hea h ALA 73 CO -0.11 0.59 -0.65 -0.44 0.00 0.00 0.00 179.25 178.64 3hea h ASP 74 N 1.26 0.04 -0.38 0.00 3.32 -0.59 -1.37 116.42 118.69 3hea h ASP 74 Ca 0.34 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.36 3hea h ASP 74 Cb -0.12 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.40 3hea h ASP 74 CO -0.07 0.67 0.22 0.44 -1.72 0.00 0.00 179.24 178.78 3hea h ASP 75 N 0.02 0.46 -0.74 6.45 3.32 -0.51 -1.44 116.42 123.98 3hea h ASP 75 Ca -0.01 -0.06 -0.01 0.00 0.02 0.00 0.00 57.03 56.97 3hea h ASP 75 Cb 1.15 -0.12 -0.04 0.00 0.22 0.00 0.00 39.33 40.54 3hea h ASP 75 CO 0.09 0.39 0.43 0.40 -1.72 0.00 0.00 179.24 178.83 3hea h ILE 76 N 0.49 1.22 -0.55 0.35 2.04 -1.06 -1.98 117.51 118.02 3hea h ILE 76 Ca 0.13 -0.51 0.05 0.00 1.00 0.00 0.00 64.86 65.54 3hea h ILE 76 Cb 0.02 0.21 -0.05 0.00 -0.74 0.00 0.00 36.82 36.26 3hea h ILE 76 CO -0.02 0.23 0.27 0.00 0.00 0.00 0.00 178.15 178.63 3hea h ALA 77 N 1.22 0.71 -0.57 1.87 0.00 -1.07 -1.08 119.26 120.33 3hea h ALA 77 Ca 0.26 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.19 3hea h ALA 77 Cb -0.00 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 3hea h ALA 77 CO -0.05 -0.08 0.30 1.96 0.00 0.00 0.00 179.25 181.38 3hea h GLN 78 N 0.52 0.81 -0.35 0.00 4.20 -0.79 -0.23 115.11 119.26 3hea h GLN 78 Ca 0.25 -0.11 -0.00 0.00 0.06 0.00 0.00 58.65 58.85 3hea h GLN 78 Cb 0.18 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 27.79 3hea h GLN 78 CO -0.18 0.64 0.20 1.25 -0.67 0.00 0.00 178.83 180.07 3hea h LEU 79 N 0.78 0.43 -0.24 1.46 5.85 -1.08 0.21 115.31 122.71 3hea h LEU 79 Ca 0.20 -0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.83 3hea h LEU 79 Cb 0.08 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 3hea h LEU 79 CO -0.03 0.38 0.09 0.40 -0.34 0.00 0.00 178.44 178.94 3hea h ILE 80 N 0.45 1.17 -0.24 4.05 2.04 -0.97 -1.93 117.51 122.09 3hea h ILE 80 Ca 0.13 -0.53 -0.04 0.00 1.00 0.00 0.00 64.86 65.41 3hea h ILE 80 Cb 0.03 1.07 -0.01 0.00 -0.74 0.00 0.00 36.82 37.18 3hea h ILE 80 CO -0.02 0.18 -0.02 -0.33 0.00 0.00 0.00 178.15 177.96 3hea h GLU 81 N 0.24 0.44 -0.38 2.37 5.08 -0.93 0.15 114.58 121.55 3hea h GLU 81 Ca 0.08 -0.15 0.04 0.00 -1.00 0.00 0.00 59.36 58.33 3hea h GLU 81 Cb 0.19 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 3hea h GLU 81 CO -0.01 0.64 0.26 0.45 -1.00 0.00 0.00 179.01 179.35 3hea h HIS 82 N 0.20 0.33 -0.00 4.33 3.86 -0.53 0.39 115.15 123.72 3hea h HIS 82 Ca 0.07 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.28 3hea h HIS 82 Cb 0.45 -0.11 0.00 0.00 1.06 0.00 0.00 27.41 28.81 3hea h HIS 82 CO 0.04 0.18 -0.47 1.28 0.86 0.00 0.00 177.93 179.83 3hea n LEU 83 N -4.48 0.91 -3.76 2.43 4.77 -0.73 -4.97 117.00 111.17 3hea n LEU 83 Ca 0.04 -0.24 -0.23 0.00 -0.03 0.00 0.00 56.01 55.55 3hea n LEU 83 Cb 0.21 -0.15 0.03 0.00 -2.33 0.00 0.00 43.42 41.18 3hea n LEU 83 CO 0.35 0.19 -0.05 -0.67 -1.33 0.00 0.00 177.39 175.88 3hea n ASP 84 N -1.03 -1.76 -4.76 -1.43 2.03 0.12 -4.94 116.55 104.78 3hea n ASP 84 Ca 0.08 -0.83 -0.40 0.00 0.52 0.00 0.00 54.79 54.16 3hea n ASP 84 Cb 0.35 -3.94 -0.04 0.00 -0.72 0.00 0.00 41.12 36.77 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 -6.81 4.56 0.06 -2.67 1.43 -0.42 -5.03 118.68 109.79 3hea s LEU 85 Ca 0.13 2.25 0.04 0.00 -1.03 0.00 0.00 54.13 55.52 3hea s LEU 85 Cb -0.06 -3.63 -0.03 0.00 0.03 0.00 0.00 46.19 42.51 3hea s LEU 85 CO 0.82 -0.12 -0.13 -0.54 0.23 0.00 0.00 176.35 176.61 3hea s LYS 86 N -1.41 0.78 -1.39 1.70 1.02 -1.26 -4.80 119.74 114.38 3hea s LYS 86 Ca 0.44 -0.86 -0.07 0.00 0.02 0.00 0.00 55.97 55.49 3hea s LYS 86 Cb -0.32 -0.75 0.03 0.00 -0.52 0.00 0.00 37.83 36.28 3hea s LYS 86 CO 0.40 0.17 0.98 0.39 -0.92 0.00 0.00 175.35 176.37 3hea n GLU 87 N 1.47 -6.23 -2.74 1.68 1.02 -0.89 -4.52 120.64 110.44 3hea n GLU 87 Ca -0.21 0.70 -0.40 0.00 -0.02 0.00 0.00 57.16 57.23 3hea n GLU 87 Cb 0.54 -5.58 -0.05 0.00 -0.02 0.00 0.00 31.44 26.33 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 -3.40 4.25 -0.32 2.62 1.01 -0.07 -4.33 120.40 120.15 3hea s VAL 88 Ca 0.40 2.08 -0.14 0.00 0.00 0.00 0.00 61.98 64.32 3hea s VAL 88 Cb -0.19 -4.32 -0.02 0.00 0.00 0.00 0.00 36.38 31.84 3hea s VAL 88 CO 0.78 0.42 0.29 -0.89 0.00 0.00 0.00 175.10 175.71 3hea s THR 89 N -0.68 5.23 -0.07 3.92 2.01 -0.71 -0.14 115.64 125.22 3hea s THR 89 Ca 0.44 0.04 -0.22 0.00 0.31 0.00 0.00 61.69 62.25 3hea s THR 89 Cb -0.25 -3.72 -0.04 0.00 0.01 0.00 0.00 72.50 68.50 3hea s THR 89 CO 0.31 0.02 0.65 -0.76 -0.69 0.00 0.00 174.62 174.16 3hea s LEU 90 N 1.88 4.32 -0.20 4.42 1.43 -0.39 -1.05 118.68 129.10 3hea s LEU 90 Ca 0.09 1.13 0.00 0.00 -1.03 0.00 0.00 54.13 54.33 3hea s LEU 90 Cb -0.17 -3.00 0.05 0.00 0.03 0.00 0.00 46.19 43.10 3hea s LEU 90 CO 0.11 -0.07 -0.07 -0.69 0.23 0.00 0.00 176.35 175.85 3hea s VAL 91 N 0.65 1.43 -0.08 -1.59 1.01 0.26 0.02 120.40 122.09 3hea s VAL 91 Ca 0.35 -0.92 0.04 0.00 0.00 0.00 0.00 61.98 61.45 3hea s VAL 91 Cb -0.17 -1.59 -0.01 0.00 0.00 0.00 0.00 36.38 34.61 3hea s VAL 91 CO 0.17 0.09 -0.22 -0.83 0.00 0.00 0.00 175.10 174.31 3hea s GLY 92 N 1.48 1.37 -0.11 4.51 0.00 -0.32 -0.31 107.32 113.94 3hea s GLY 92 Ca -0.02 -0.99 -0.02 0.00 0.00 0.00 0.00 44.72 43.70 3hea s GLY 92 CO -0.08 -0.47 -0.03 -0.12 0.00 0.00 0.00 173.10 172.41 3hea s PHE 93 N 0.05 3.06 0.00 1.90 5.36 -0.77 -0.37 117.98 127.21 3hea s PHE 93 Ca -0.09 -0.01 0.00 0.00 -0.96 0.00 0.00 56.93 55.87 3hea s PHE 93 Cb -0.15 -1.83 0.00 0.00 -0.34 0.00 0.00 43.02 40.69 3hea s PHE 93 CO 0.06 0.27 0.00 0.45 -1.46 0.00 0.00 175.22 174.53 3hea n SER 94 N 2.65 0.00 0.31 6.13 2.88 -0.16 0.16 113.62 125.59 3hea n SER 94 Ca -0.18 0.00 0.18 0.00 -1.33 0.00 0.00 58.87 57.54 3hea n SER 94 Cb 0.53 0.00 1.00 0.00 -0.75 0.00 0.00 64.21 64.99 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 -1.13 114.93 110.49 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 0.23 0.00 1.74 -3.00 0.00 -0.24 -1.31 103.07 100.49 3hea h GLY 96 Ca -0.00 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.25 3hea h GLY 96 CO 0.00 0.00 -0.26 -1.33 0.00 0.00 0.00 176.54 174.95 3hea h GLY 97 N 1.76 0.33 1.07 4.60 0.00 -1.25 -3.14 103.07 106.44 3hea h GLY 97 Ca 0.00 -0.26 -0.14 0.00 0.00 0.00 0.00 47.33 46.93 3hea h GLY 97 CO 0.00 0.24 -0.29 -1.33 0.00 0.00 0.00 176.54 175.16 3hea h GLY 98 N 1.00 0.95 2.00 4.60 0.00 -1.39 -2.51 103.07 107.73 3hea h GLY 98 Ca 0.04 -0.92 -0.12 0.00 0.00 0.00 0.00 47.33 46.33 3hea h GLY 98 CO 0.04 0.84 -0.57 1.29 0.00 0.00 0.00 176.54 178.14 3hea h ASP 99 N 0.69 0.00 0.14 0.19 2.03 -1.60 -0.01 116.42 117.86 3hea h ASP 99 Ca 0.07 0.00 -0.18 0.00 -0.73 0.00 0.00 57.03 56.19 3hea h ASP 99 Cb 0.87 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.36 3hea h ASP 99 CO 0.08 0.57 -0.69 -0.37 -1.03 0.00 0.00 179.24 177.80 3hea h VAL 100 N 0.00 1.35 -0.27 4.15 -1.51 -1.59 -0.30 116.25 118.08 3hea h VAL 100 Ca -0.01 -2.02 -0.04 0.00 -1.23 0.00 0.00 66.70 63.40 3hea h VAL 100 Cb 1.35 2.00 -0.01 0.00 -2.13 0.00 0.00 31.29 32.50 3hea h VAL 100 CO 0.07 0.62 0.01 0.00 -1.23 0.00 0.00 177.57 177.04 3hea h ALA 101 N 0.90 0.36 0.00 5.19 0.00 -1.36 -2.83 119.26 121.51 3hea h ALA 101 Ca -0.02 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.61 3hea h ALA 101 Cb 1.26 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 3hea h ALA 101 CO 0.12 0.09 -0.29 -0.09 0.00 0.00 0.00 179.25 179.09 3hea h ARG 102 N 0.25 0.00 0.07 0.00 9.65 -0.98 -1.29 114.38 122.07 3hea h ARG 102 Ca 0.08 0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 58.95 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 0.29 -0.03 -0.92 2.80 0.00 0.00 179.97 182.12 3hea h TYR 103 N 0.00 -0.08 -0.59 2.20 3.20 -0.89 -0.71 116.97 120.10 3hea h TYR 103 Ca -0.00 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.86 3hea h TYR 103 Cb 0.53 0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.80 3hea h TYR 103 CO 0.00 0.02 0.35 0.82 -1.64 0.00 0.00 178.16 177.72 3hea h ILE 104 N -0.17 1.18 -0.68 1.81 2.04 -1.26 0.39 117.51 120.82 3hea h ILE 104 Ca -0.01 -0.40 0.05 0.00 1.00 0.00 0.00 64.86 65.50 3hea h ILE 104 Cb 0.14 0.37 -0.05 0.00 -0.74 0.00 0.00 36.82 36.54 3hea h ILE 104 CO 0.02 0.18 0.39 0.00 0.00 0.00 0.00 178.15 178.74 3hea h ALA 105 N 1.18 0.90 0.02 1.87 0.00 -1.11 0.42 119.26 122.54 3hea h ALA 105 Ca 0.21 0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.87 3hea h ALA 105 Cb -0.01 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 3hea h ALA 105 CO -0.04 0.10 -1.32 0.00 0.00 0.00 0.00 179.25 177.99 3hea h ARG 106 N 0.74 0.05 -0.00 0.00 3.08 -0.80 -3.39 114.38 114.05 3hea h ARG 106 Ca 0.29 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 60.26 3hea h ARG 106 Cb 0.14 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.22 3hea h ARG 106 CO -0.16 0.86 -0.05 0.72 -1.07 0.00 0.00 179.97 180.27 3hea n HIS 107 N -3.27 0.00 -0.58 3.04 8.25 0.14 -5.09 115.22 117.70 3hea n HIS 107 Ca -0.08 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.43 3hea n HIS 107 Cb 1.00 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 32.09 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 0.68 -2.15 0.61 -1.41 0.00 0.15 -4.68 105.19 98.38 3hea n GLY 108 Ca 0.01 -1.42 0.09 0.00 0.00 0.00 0.00 46.02 44.69 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 -1.85 3.35 -0.30 1.61 3.41 -1.26 -4.55 113.62 114.03 3hea n SER 109 Ca 0.00 -3.05 0.12 0.00 -0.26 0.00 0.00 58.87 55.68 3hea n SER 109 Cb 0.18 -0.51 0.36 0.00 -0.26 0.00 0.00 64.21 63.98 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 1.18 1.79 -0.26 7.33 0.00 -1.98 -0.41 119.26 126.91 3hea h ALA 110 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3hea h ALA 110 Cb 1.29 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3hea h ALA 110 CO 0.15 -0.05 0.00 0.54 0.00 0.00 0.00 179.25 179.89 3hea n ARG 111 N -4.59 2.00 -4.49 0.00 1.74 -1.26 -4.74 116.66 105.31 3hea n ARG 111 Ca 0.19 -1.51 -0.33 0.00 -0.77 0.00 0.00 57.85 55.42 3hea n ARG 111 Cb 0.48 -1.43 -0.14 0.00 -1.02 0.00 0.00 32.46 30.36 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 -1.67 3.18 -0.13 1.55 1.01 -0.16 -0.90 120.40 123.28 3hea s VAL 112 Ca 0.34 -0.60 0.15 0.00 0.00 0.00 0.00 61.98 61.87 3hea s VAL 112 Cb 0.19 -2.37 -0.24 0.00 0.00 0.00 0.00 36.38 33.96 3hea s VAL 112 CO 0.27 0.50 0.32 0.00 0.00 0.00 0.00 175.10 176.19 3hea n ALA 113 N 3.88 1.48 -3.68 5.51 0.00 0.80 -4.79 120.51 123.71 3hea n ALA 113 Ca -0.18 -1.07 -0.06 0.00 0.00 0.00 0.00 53.44 52.13 3hea n ALA 113 Cb 0.52 -0.48 -0.02 0.00 0.00 0.00 0.00 19.45 19.48 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 -5.36 -0.30 -0.02 0.00 0.00 -1.19 -4.23 107.32 96.21 3hea s GLY 114 Ca -0.09 0.32 0.01 0.00 0.00 0.00 0.00 44.72 44.96 3hea s GLY 114 CO 0.82 0.08 -0.04 -2.27 0.00 0.00 0.00 173.10 171.69 3hea s LEU 115 N -2.81 1.59 -0.10 0.66 2.96 -0.35 -1.26 118.68 119.37 3hea s LEU 115 Ca 0.09 -0.10 0.02 0.00 -0.22 0.00 0.00 54.13 53.93 3hea s LEU 115 Cb -0.02 -0.34 0.01 0.00 0.50 0.00 0.00 46.19 46.35 3hea s LEU 115 CO -0.01 -0.01 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.16 3hea s VAL 116 N 0.48 1.53 -0.28 1.68 1.01 0.10 -0.69 120.40 124.23 3hea s VAL 116 Ca -0.06 -0.67 -0.01 0.00 0.00 0.00 0.00 61.98 61.24 3hea s VAL 116 Cb -0.09 -1.38 0.05 0.00 0.00 0.00 0.00 36.38 34.95 3hea s VAL 116 CO -0.00 0.45 -0.03 -0.76 0.00 0.00 0.00 175.10 174.75 3hea s LEU 117 N 0.89 3.69 -0.24 3.92 1.43 0.24 -1.17 118.68 127.44 3hea s LEU 117 Ca -0.08 -1.21 -0.06 0.00 -1.03 0.00 0.00 54.13 51.75 3hea s LEU 117 Cb -0.15 -1.68 -0.01 0.00 0.03 0.00 0.00 46.19 44.37 3hea s LEU 117 CO -0.00 -0.22 0.02 -0.76 0.23 0.00 0.00 176.35 175.61 3hea s LEU 118 N 1.25 3.23 -1.80 1.79 1.43 0.50 -0.90 118.68 124.17 3hea s LEU 118 Ca -0.05 -0.36 -0.22 0.00 -1.03 0.00 0.00 54.13 52.48 3hea s LEU 118 Cb -0.19 -1.83 0.20 0.00 0.03 0.00 0.00 46.19 44.40 3hea s LEU 118 CO -0.02 -0.05 0.69 0.61 0.23 0.00 0.00 176.35 177.81 3hea n GLY 119 N 4.86 -0.42 3.83 -3.19 0.00 -0.09 -0.99 105.19 109.19 3hea n GLY 119 Ca -0.17 0.10 -0.33 0.00 0.00 0.00 0.00 46.02 45.62 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 -3.26 3.22 -1.23 4.61 0.00 -1.26 -2.92 121.76 120.92 3hea s ALA 120 Ca 0.80 0.23 0.16 0.00 0.00 0.00 0.00 51.96 53.15 3hea s ALA 120 Cb -0.45 -2.95 0.77 0.00 0.00 0.00 0.00 23.12 20.49 3hea s ALA 120 CO 0.98 0.24 1.50 1.33 0.00 0.00 0.00 175.76 179.82 3hea n VAL 121 N -0.27 0.69 -2.22 0.00 0.24 -1.03 -4.23 118.33 111.51 3hea n VAL 121 Ca 0.04 0.17 -0.37 0.00 -2.04 0.00 0.00 64.34 62.15 3hea n VAL 121 Cb 0.53 -0.89 -0.00 0.00 -1.47 0.00 0.00 33.84 32.00 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 -2.77 3.03 -1.00 3.34 -4.23 -1.26 -2.54 115.64 110.21 3hea s THR 122 Ca 0.12 0.74 0.24 0.00 -1.18 0.00 0.00 61.69 61.61 3hea s THR 122 Cb 0.11 -3.36 -0.03 0.00 1.34 0.00 0.00 72.50 70.57 3hea s THR 122 CO 0.27 -0.04 1.34 -0.81 -0.54 0.00 0.00 174.62 174.84 3hea n PRO 123 N -0.74 0.00 -3.64 3.99 -0.04 -1.26 -3.51 135.00 129.80 3hea n PRO 123 Ca 0.09 -0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.44 3hea n PRO 123 Cb 0.48 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.38 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 -3.00 0.00 -0.04 0.52 2.07 -1.05 0.43 121.20 120.13 3hea s ILE 124 Ca 0.11 0.00 -0.08 0.00 -1.41 0.00 0.00 60.65 59.26 3hea s ILE 124 Cb 0.17 -1.00 -0.03 0.00 0.13 0.00 0.00 42.46 41.74 3hea s ILE 124 CO 0.72 0.00 -0.16 0.33 -1.91 0.00 0.00 174.94 173.92 3hea n PHE 125 N 2.67 0.00 -1.96 3.50 -0.00 -1.22 -4.63 117.46 115.81 3hea n PHE 125 Ca -0.14 0.00 -0.30 0.00 -0.00 0.00 0.00 57.45 57.01 3hea n PHE 125 Cb 0.56 -0.23 0.04 0.00 -0.00 0.00 0.00 39.48 39.85 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 -4.29 1.63 0.43 7.13 0.00 -0.78 -1.62 107.32 109.81 3hea s GLY 126 Ca -0.13 -0.37 -0.26 0.00 0.00 0.00 0.00 44.72 43.95 3hea s GLY 126 CO 0.20 -0.03 1.43 -1.06 0.00 0.00 0.00 173.10 173.64 3hea n GLN 127 N -2.92 2.33 -4.40 2.90 6.02 0.70 -4.49 117.38 117.52 3hea n GLN 127 Ca 0.06 0.83 -0.20 0.00 -0.01 0.00 0.00 57.00 57.68 3hea n GLN 127 Cb 0.57 -2.61 -0.10 0.00 1.02 0.00 0.00 30.24 29.11 3hea n GLN 127 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 3hea s LYS 128 N -2.32 1.50 0.31 -1.09 -0.14 -1.06 -4.86 119.74 112.08 3hea s LYS 128 Ca 0.59 -1.78 0.02 0.00 -1.36 0.00 0.00 55.97 53.43 3hea s LYS 128 Cb -0.46 -0.89 0.57 0.00 -1.68 0.00 0.00 37.83 35.37 3hea s LYS 128 CO 0.59 -0.07 1.89 -1.35 -0.76 0.00 0.00 175.35 175.66 3hea h PRO 129 N 2.30 0.95 -0.37 -1.68 0.11 -2.01 0.49 132.00 131.79 3hea h PRO 129 Ca -0.40 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3hea h PRO 129 Cb 1.23 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 32.13 3hea h PRO 129 CO 0.67 0.63 0.00 -0.40 -0.21 0.00 0.00 178.00 178.69 3hea n ASP 130 N -4.52 2.16 -3.09 -2.05 5.75 -1.26 -4.31 116.55 109.24 3hea n ASP 130 Ca 0.15 -1.94 -0.18 0.00 -0.01 0.00 0.00 54.79 52.81 3hea n ASP 130 Cb 0.25 -0.24 -0.02 0.00 -1.03 0.00 0.00 41.12 40.08 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 0.67 0.67 0.32 2.11 9.36 0.15 -4.91 117.16 125.53 3hea n TYR 131 Ca 0.15 -3.70 0.20 0.00 3.32 0.00 0.00 57.90 57.87 3hea n TYR 131 Cb 0.36 -0.42 1.11 0.00 -0.63 0.00 0.00 39.34 39.76 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 2.99 0.00 0.00 2.98 0.13 -1.72 -1.78 132.00 134.60 3hea h PRO 132 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 3hea h PRO 132 Cb 0.96 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.09 3hea h PRO 132 CO 0.53 0.00 0.00 -0.56 -0.23 0.00 0.00 178.00 177.74 3hea h GLN 133 N 0.00 0.00 -7.28 0.86 -0.00 -1.91 -3.45 115.11 103.33 3hea h GLN 133 Ca 0.00 0.00 -0.44 0.00 -0.00 0.00 0.00 58.65 58.22 3hea h GLN 133 Cb 0.03 0.00 0.18 0.00 -0.00 0.00 0.00 27.48 27.69 3hea h GLN 133 CO -0.00 0.00 0.11 0.20 -0.00 0.00 0.00 178.83 179.14 3hea s GLY 134 N -3.73 1.55 0.04 0.06 0.00 -0.69 -4.96 107.32 99.58 3hea s GLY 134 Ca 0.05 -0.43 -0.30 0.00 0.00 0.00 0.00 44.72 44.04 3hea s GLY 134 CO 0.47 0.29 1.33 0.14 0.00 0.00 0.00 173.10 175.33 3hea s VAL 135 N -2.79 3.74 0.32 1.40 1.01 -0.64 -4.20 120.40 119.24 3hea s VAL 135 Ca 0.67 1.19 -0.29 0.00 0.00 0.00 0.00 61.98 63.55 3hea s VAL 135 Cb -0.19 -3.76 -0.12 0.00 0.00 0.00 0.00 36.38 32.31 3hea s VAL 135 CO 0.60 0.04 1.40 -2.65 0.00 0.00 0.00 175.10 174.49 3hea n PRO 136 N 4.66 2.31 0.29 2.72 -0.02 -1.26 -0.21 135.00 143.48 3hea n PRO 136 Ca 0.11 0.81 0.16 0.00 -2.02 0.00 0.00 63.50 62.56 3hea n PRO 136 Cb 0.44 -2.47 0.87 0.00 -0.02 0.00 0.00 33.50 32.32 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 3.31 0.00 -0.86 2.45 3.38 -1.93 -1.63 115.31 120.03 3hea h LEU 137 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.50 3hea h LEU 137 Cb 1.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.01 3hea h LEU 137 CO 0.68 0.06 0.00 -2.24 0.09 0.00 0.00 178.44 177.03 3hea h ASP 138 N 0.00 0.00 -0.24 -0.43 3.04 -1.98 0.14 116.42 116.95 3hea h ASP 138 Ca -0.00 0.00 -0.01 0.00 -3.24 0.00 0.00 57.03 53.77 3hea h ASP 138 Cb 0.20 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 38.48 3hea h ASP 138 CO 0.01 0.00 0.09 0.58 -2.04 0.00 0.00 179.24 177.88 3hea h VAL 139 N 0.00 1.17 -0.14 4.15 2.07 -1.65 -1.81 116.25 120.04 3hea h VAL 139 Ca 0.00 -0.53 -0.17 0.00 0.82 0.00 0.00 66.70 66.82 3hea h VAL 139 Cb 0.53 1.08 -0.01 0.00 -1.52 0.00 0.00 31.29 31.37 3hea h VAL 139 CO 0.00 0.17 -0.62 -0.26 0.02 0.00 0.00 177.57 176.88 3hea h PHE 140 N 0.23 0.62 -0.82 1.57 0.04 -1.51 -2.39 116.94 114.67 3hea h PHE 140 Ca 0.08 -0.24 0.07 0.00 2.80 0.00 0.00 57.97 60.68 3hea h PHE 140 Cb 0.19 -0.11 -0.06 0.00 2.20 0.00 0.00 35.95 38.17 3hea h PHE 140 CO -0.01 0.97 0.49 0.00 -0.60 0.00 0.00 178.31 179.17 3hea h ALA 141 N 0.97 1.14 -0.39 2.45 0.00 -0.93 -0.57 119.26 121.93 3hea h ALA 141 Ca -0.01 0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.77 3hea h ALA 141 Cb 1.17 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 3hea h ALA 141 CO 0.11 0.19 -0.32 0.00 0.00 0.00 0.00 179.25 179.24 3hea h ARG 142 N 0.88 0.87 -0.45 0.00 3.08 -1.20 -1.57 114.38 115.99 3hea h ARG 142 Ca 0.37 -0.41 0.06 0.00 0.07 0.00 0.00 59.98 60.07 3hea h ARG 142 Cb 0.23 -0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.22 3hea h ARG 142 CO -0.19 1.06 0.15 0.74 -1.07 0.00 0.00 179.97 180.66 3hea h PHE 143 N 0.73 0.27 -0.69 3.04 0.04 -0.90 -1.09 116.94 118.34 3hea h PHE 143 Ca 0.08 0.02 -0.07 0.00 2.80 0.00 0.00 57.97 60.80 3hea h PHE 143 Cb 0.88 -0.05 -0.03 0.00 2.20 0.00 0.00 35.95 38.95 3hea h PHE 143 CO 0.05 0.09 0.15 0.87 -0.60 0.00 0.00 178.31 178.87 3hea h LYS 144 N 0.32 1.12 -0.85 1.51 1.57 -0.91 0.43 116.57 119.76 3hea h LYS 144 Ca 0.21 -0.28 -0.00 0.00 -1.87 0.00 0.00 60.65 58.71 3hea h LYS 144 Cb 0.21 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.34 3hea h LYS 144 CO -0.22 1.00 0.52 1.15 -0.57 0.00 0.00 179.45 181.33 3hea h THR 145 N 1.05 1.23 -0.14 -0.16 2.02 -0.94 -0.89 112.91 115.08 3hea h THR 145 Ca 0.21 -0.50 -0.18 0.00 0.77 0.00 0.00 66.41 66.71 3hea h THR 145 Cb 0.40 0.03 -0.00 0.00 -1.74 0.00 0.00 68.15 66.84 3hea h THR 145 CO 0.01 0.24 -0.65 -0.33 0.37 0.00 0.00 175.52 175.16 3hea h GLU 146 N 1.17 0.54 -0.25 6.66 4.39 -0.83 -3.02 114.58 123.25 3hea h GLU 146 Ca 0.31 -0.39 -0.05 0.00 0.34 0.00 0.00 59.36 59.57 3hea h GLU 146 Cb -0.06 0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 3hea h GLU 146 CO -0.06 1.01 -0.06 -0.07 -1.16 0.00 0.00 179.01 178.67 3hea h LEU 147 N 0.39 0.36 -0.08 1.33 3.38 -0.55 -1.16 115.31 118.98 3hea h LEU 147 Ca -0.02 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.89 3hea h LEU 147 Cb 1.22 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.88 3hea h LEU 147 CO 0.12 0.47 -0.02 0.18 0.09 0.00 0.00 178.44 179.28 3hea n LEU 148 N -4.28 0.15 -0.13 1.67 4.77 -0.37 -2.77 117.00 116.04 3hea n LEU 148 Ca 0.00 0.10 -0.25 0.00 -0.03 0.00 0.00 56.01 55.83 3hea n LEU 148 Cb 0.25 -0.16 -0.10 0.00 -2.33 0.00 0.00 43.42 41.09 3hea n LEU 148 CO 0.38 0.03 -1.39 0.29 -1.33 0.00 0.00 177.39 175.37 3hea n LYS 149 N -1.07 0.58 -3.01 3.23 5.02 -0.82 -4.96 118.16 117.13 3hea n LYS 149 Ca 0.18 0.22 -0.01 0.00 -2.02 0.00 0.00 58.31 56.67 3hea n LYS 149 Cb 0.21 -1.46 -0.00 0.00 -0.02 0.00 0.00 35.03 33.76 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 -7.12 -1.50 0.36 4.39 -1.08 -0.50 -5.02 116.67 106.20 3hea s ASP 150 Ca -0.36 -1.21 0.13 0.00 -0.52 0.00 0.00 52.55 50.58 3hea s ASP 150 Cb 0.13 1.94 0.68 0.00 -1.46 0.00 0.00 42.92 44.20 3hea s ASP 150 CO 0.50 -0.12 1.80 0.08 0.52 0.00 0.00 175.17 177.94 3hea h ARG 151 N 6.10 0.00 0.17 4.34 0.11 -1.69 -2.35 114.38 121.06 3hea h ARG 151 Ca 0.05 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.13 3hea h ARG 151 Cb 1.15 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.23 3hea h ARG 151 CO 0.06 0.41 -0.08 0.00 0.10 0.00 0.00 179.97 180.45 3hea h ALA 152 N 1.59 -0.23 -0.22 0.08 0.00 -1.94 -1.66 119.26 116.88 3hea h ALA 152 Ca -0.00 -0.12 -0.13 0.00 0.00 0.00 0.00 54.91 54.66 3hea h ALA 152 Cb 0.73 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 3hea h ALA 152 CO 0.05 -0.55 -0.40 0.37 0.00 0.00 0.00 179.25 178.72 3hea h GLN 153 N -0.40 0.50 -0.29 0.00 5.75 -1.97 -1.65 115.11 117.05 3hea h GLN 153 Ca -0.02 -0.25 0.06 0.00 -0.15 0.00 0.00 58.65 58.29 3hea h GLN 153 Cb 0.31 0.00 -0.05 0.00 1.07 0.00 0.00 27.48 28.80 3hea h GLN 153 CO 0.04 0.82 -0.07 0.35 -2.65 0.00 0.00 178.83 177.32 3hea h PHE 154 N 0.42 -0.14 -0.29 3.99 3.57 -1.32 0.63 116.94 123.80 3hea h PHE 154 Ca 0.04 0.03 -0.16 0.00 3.53 0.00 0.00 57.97 61.41 3hea h PHE 154 Cb 0.88 0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.72 3hea h PHE 154 CO 0.03 -0.12 -0.45 0.82 -2.23 0.00 0.00 178.31 176.36 3hea h ILE 155 N 0.01 1.29 -0.56 1.41 2.04 -1.16 -0.85 117.51 119.68 3hea h ILE 155 Ca 0.14 -1.64 0.08 0.00 1.00 0.00 0.00 64.86 64.44 3hea h ILE 155 Cb 0.21 1.55 -0.07 0.00 -0.74 0.00 0.00 36.82 37.77 3hea h ILE 155 CO -0.30 0.53 0.20 -1.28 0.00 0.00 0.00 178.15 177.30 3hea h SER 156 N 0.60 0.19 0.43 1.72 0.87 -0.98 -1.97 113.55 114.41 3hea h SER 156 Ca 0.04 0.07 -0.07 0.00 -1.23 0.00 0.00 61.79 60.60 3hea h SER 156 Cb 1.02 0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 63.02 3hea h SER 156 CO 0.10 0.12 -0.35 0.44 -0.53 0.00 0.00 176.83 176.62 3hea h ASP 157 N 0.38 0.00 0.79 6.23 3.32 -0.55 -2.95 116.42 123.63 3hea h ASP 157 Ca 0.28 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.29 3hea h ASP 157 Cb 0.33 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.88 3hea h ASP 157 CO -0.29 0.35 -0.19 0.15 -1.72 0.00 0.00 179.24 177.54 3hea h PHE 158 N 0.00 0.00 -0.71 4.55 3.04 -0.39 -3.15 116.94 120.28 3hea h PHE 158 Ca -0.00 0.00 0.15 0.00 3.98 0.00 0.00 57.97 62.10 3hea h PHE 158 Cb 0.66 0.00 -0.11 0.00 2.56 0.00 0.00 35.95 39.05 3hea h PHE 158 CO 0.00 0.19 0.11 -0.91 -2.02 0.00 0.00 178.31 175.69 3hea h ASN 159 N 0.00 -0.10 0.72 0.41 2.35 -1.30 -1.39 115.58 116.26 3hea h ASN 159 Ca -0.00 0.15 -0.03 0.00 -0.55 0.00 0.00 56.30 55.87 3hea h ASN 159 Cb 0.64 0.23 -0.00 0.00 0.05 0.00 0.00 38.32 39.24 3hea h ASN 159 CO 0.03 -0.08 -0.43 0.00 -1.65 0.00 0.00 177.43 175.30 3hea h ALA 160 N 1.61 -1.24 0.00 -0.83 0.00 -1.77 -1.56 119.26 115.48 3hea h ALA 160 Ca 0.39 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 3hea h ALA 160 Cb 0.67 0.54 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 3hea h ALA 160 CO -0.53 -1.20 -0.32 -1.00 0.00 0.00 0.00 179.25 176.20 3hea h PRO 161 N -1.07 0.00 -0.10 0.00 0.13 -1.76 0.14 132.00 129.34 3hea h PRO 161 Ca -0.10 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.03 3hea h PRO 161 Cb 0.86 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.98 3hea h PRO 161 CO 0.10 0.32 0.05 0.35 -0.23 0.00 0.00 178.00 178.59 3hea h PHE 162 N 0.00 0.14 -0.01 1.56 3.57 -1.09 -3.12 116.94 117.99 3hea h PHE 162 Ca -0.00 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.49 3hea h PHE 162 Cb 0.59 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.28 3hea h PHE 162 CO 0.00 0.18 -0.40 0.66 -2.23 0.00 0.00 178.31 176.52 3hea n TYR 163 N -4.96 0.00 -1.95 0.41 4.01 -0.60 -0.80 117.16 113.26 3hea n TYR 163 Ca -0.05 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.61 3hea n TYR 163 Cb 0.08 -0.08 -0.01 0.00 -0.31 0.00 0.00 39.34 39.02 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 1.39 0.24 0.24 2.72 0.00 0.07 -4.72 105.19 105.14 3hea n GLY 164 Ca 0.10 -0.60 0.09 0.00 0.00 0.00 0.00 46.02 45.60 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 0.87 -0.00 -0.61 1.08 -1.03 -0.88 117.51 116.94 3hea h ILE 165 Ca -0.17 -0.65 0.00 0.00 -0.39 0.00 0.00 64.86 63.65 3hea h ILE 165 Cb 1.00 1.38 0.00 0.00 -3.07 0.00 0.00 36.82 36.13 3hea h ILE 165 CO 0.21 0.17 -0.01 -0.46 -0.69 0.00 0.00 178.15 177.38 3hea n ASN 166 N -3.97 0.02 -1.38 1.72 6.94 -1.24 -2.82 115.26 114.53 3hea n ASN 166 Ca -0.02 -0.18 -0.10 0.00 -0.02 0.00 0.00 54.58 54.26 3hea n ASN 166 Cb 0.26 -0.27 0.12 0.00 -2.36 0.00 0.00 39.78 37.53 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 -1.27 2.52 0.00 -3.83 4.76 -0.44 -4.97 118.16 114.93 3hea n LYS 167 Ca 0.14 -3.64 0.00 0.00 -2.87 0.00 0.00 58.31 51.95 3hea n LYS 167 Cb 0.24 -1.96 0.00 0.00 -1.84 0.00 0.00 35.03 31.47 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 -0.94 2.07 3.40 0.72 0.00 -1.13 -4.98 105.19 104.33 3hea n GLY 168 Ca 0.34 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.00 3hea n GLY 168 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3hea n GLN 169 N -1.88 0.25 -4.09 1.61 1.13 -0.57 -4.94 117.38 108.88 3hea n GLN 169 Ca 0.00 0.11 -0.33 0.00 -1.94 0.00 0.00 57.00 54.85 3hea n GLN 169 Cb 0.00 -1.64 -0.16 0.00 0.11 0.00 0.00 30.24 28.55 3hea n GLN 169 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 3hea s VAL 170 N -1.92 2.17 -0.02 5.09 1.01 -1.26 -4.37 120.40 121.10 3hea s VAL 170 Ca 0.63 -1.16 0.01 0.00 0.00 0.00 0.00 61.98 61.46 3hea s VAL 170 Cb -0.36 -2.04 0.01 0.00 0.00 0.00 0.00 36.38 33.99 3hea s VAL 170 CO 0.61 0.34 -0.03 -0.69 0.00 0.00 0.00 175.10 175.33 3hea s VAL 171 N 1.24 0.34 0.85 2.92 1.01 -1.26 -4.96 120.40 120.54 3hea s VAL 171 Ca 0.00 -0.09 -0.11 0.00 0.00 0.00 0.00 61.98 61.79 3hea s VAL 171 Cb -0.15 -0.35 0.10 0.00 0.00 0.00 0.00 36.38 35.98 3hea s VAL 171 CO -0.10 0.14 1.10 -0.94 0.00 0.00 0.00 175.10 175.30 3hea s SER 172 N 0.48 3.77 0.30 3.32 1.04 -1.26 -4.90 113.70 116.45 3hea s SER 172 Ca -0.05 1.78 -0.01 0.00 0.48 0.00 0.00 55.95 58.15 3hea s SER 172 Cb -0.09 -2.42 0.48 0.00 0.10 0.00 0.00 66.02 64.10 3hea s SER 172 CO -0.01 -2.50 1.93 1.56 0.98 0.00 0.00 173.24 175.21 3hea h GLN 173 N -1.45 1.06 -0.37 4.02 1.08 -2.01 -2.69 115.11 114.75 3hea h GLN 173 Ca -0.46 -0.06 0.04 0.00 -1.45 0.00 0.00 58.65 56.72 3hea h GLN 173 Cb 1.26 -0.24 -0.04 0.00 -0.05 0.00 0.00 27.48 28.41 3hea h GLN 173 CO 0.50 0.70 0.13 0.78 -0.95 0.00 0.00 178.83 179.99 3hea h GLY 174 N 1.09 0.47 1.03 3.46 0.00 -1.99 0.28 103.07 107.41 3hea h GLY 174 Ca 0.37 -0.07 -0.04 0.00 0.00 0.00 0.00 47.33 47.58 3hea h GLY 174 CO -0.12 0.02 0.31 -2.08 0.00 0.00 0.00 176.54 174.68 3hea h VAL 175 N 0.28 1.25 -0.58 4.60 2.07 -1.88 0.23 116.25 122.21 3hea h VAL 175 Ca 0.17 -0.77 -0.09 0.00 0.82 0.00 0.00 66.70 66.83 3hea h VAL 175 Cb 0.15 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 30.26 3hea h VAL 175 CO -0.18 0.31 0.01 1.56 0.02 0.00 0.00 177.57 179.29 3hea h GLN 176 N 1.07 1.00 -0.19 1.57 4.20 -1.10 -0.56 115.11 121.10 3hea h GLN 176 Ca 0.25 -0.30 -0.01 0.00 0.06 0.00 0.00 58.65 58.65 3hea h GLN 176 Cb 0.19 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.86 3hea h GLN 176 CO -0.02 0.98 0.09 1.15 -0.67 0.00 0.00 178.83 180.35 3hea h THR 177 N 0.92 1.14 -0.87 -0.54 2.02 -0.13 -2.52 112.91 112.93 3hea h THR 177 Ca 0.17 -0.42 0.00 0.00 0.77 0.00 0.00 66.41 66.93 3hea h THR 177 Cb 0.53 1.07 -0.04 0.00 -1.74 0.00 0.00 68.15 67.97 3hea h THR 177 CO 0.03 0.14 0.56 -0.61 0.37 0.00 0.00 175.52 176.01 3hea h GLN 178 N 0.17 1.17 -0.34 6.66 4.15 -0.79 -0.97 115.11 125.16 3hea h GLN 178 Ca 0.07 -0.08 0.04 0.00 0.77 0.00 0.00 58.65 59.44 3hea h GLN 178 Cb 0.14 -0.26 -0.04 0.00 0.21 0.00 0.00 27.48 27.54 3hea h GLN 178 CO -0.01 0.79 0.13 1.15 -1.93 0.00 0.00 178.83 178.96 3hea h THR 179 N 1.19 0.92 -0.47 2.39 2.02 -0.95 -1.47 112.91 116.54 3hea h THR 179 Ca 0.32 -0.10 -0.13 0.00 0.77 0.00 0.00 66.41 67.27 3hea h THR 179 Cb -0.10 0.61 -0.01 0.00 -1.74 0.00 0.00 68.15 66.91 3hea h THR 179 CO -0.07 0.05 -0.21 0.25 0.37 0.00 0.00 175.52 175.92 3hea h LEU 180 N 0.28 1.00 -0.32 2.58 5.85 -1.15 -1.58 115.31 121.96 3hea h LEU 180 Ca 0.15 -0.39 0.02 0.00 0.84 0.00 0.00 57.88 58.50 3hea h LEU 180 Cb 0.11 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.84 3hea h LEU 180 CO -0.15 1.17 0.17 -0.61 -0.34 0.00 0.00 178.44 178.68 3hea h GLN 181 N 0.82 0.34 0.08 1.25 4.15 -0.95 -0.51 115.11 120.28 3hea h GLN 181 Ca 0.11 -0.02 -0.00 0.00 0.77 0.00 0.00 58.65 59.50 3hea h GLN 181 Cb 0.78 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 28.40 3hea h GLN 181 CO 0.06 0.22 -0.04 0.82 -1.93 0.00 0.00 178.83 177.97 3hea h ILE 182 N 0.35 0.96 -0.55 2.39 2.04 -1.21 -2.95 117.51 118.53 3hea h ILE 182 Ca 0.13 -0.10 0.06 0.00 1.00 0.00 0.00 64.86 65.95 3hea h ILE 182 Cb 0.04 1.02 -0.03 0.00 -0.74 0.00 0.00 36.82 37.11 3hea h ILE 182 CO -0.08 0.03 0.37 0.00 0.00 0.00 0.00 178.15 178.46 3hea h ALA 183 N 0.77 1.84 0.00 1.87 0.00 -0.97 -1.51 119.26 121.26 3hea h ALA 183 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3hea h ALA 183 Cb 0.12 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3hea h ALA 183 CO 0.02 0.07 0.00 -0.07 0.00 0.00 0.00 179.25 179.27 3hea h LEU 184 N 0.53 0.00 -1.37 0.00 3.38 -0.93 -2.57 115.31 114.35 3hea h LEU 184 Ca 0.24 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.14 3hea h LEU 184 Cb 0.27 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 3hea h LEU 184 CO -0.07 0.00 -0.31 -0.07 0.09 0.00 0.00 178.44 178.08 3hea h LEU 185 N 0.00 0.00-10.23 1.67 3.38 -1.19 -3.46 115.31 105.49 3hea h LEU 185 Ca 0.00 0.00 -0.51 0.00 0.09 0.00 0.00 57.88 57.46 3hea h LEU 185 Cb 0.58 0.00 0.12 0.00 0.09 0.00 0.00 40.66 41.45 3hea h LEU 185 CO 0.00 0.31 0.35 0.00 0.09 0.00 0.00 178.44 179.20 3hea s ALA 186 N -4.28 2.30 0.27 1.53 0.00 -0.97 -4.50 121.76 116.10 3hea s ALA 186 Ca -0.03 0.54 -0.29 0.00 0.00 0.00 0.00 51.96 52.18 3hea s ALA 186 Cb 0.15 -3.34 -0.10 0.00 0.00 0.00 0.00 23.12 19.83 3hea s ALA 186 CO 0.71 -1.59 1.32 0.45 0.00 0.00 0.00 175.76 176.65 3hea s SER 187 N -2.68 6.83 0.14 0.00 0.15 0.10 -4.95 113.70 113.29 3hea s SER 187 Ca 0.67 2.56 -0.18 0.00 0.70 0.00 0.00 55.95 59.70 3hea s SER 187 Cb -0.21 -2.63 -0.00 0.00 -1.71 0.00 0.00 66.02 61.47 3hea s SER 187 CO 0.46 -0.53 1.76 0.25 1.20 0.00 0.00 173.24 176.38 3hea h LEU 188 N 4.37 0.16 -0.37 3.45 5.85 -1.95 -0.17 115.31 126.65 3hea h LEU 188 Ca -0.47 0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.32 3hea h LEU 188 Cb 1.22 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 42.20 3hea h LEU 188 CO 0.72 0.13 0.12 0.50 -0.34 0.00 0.00 178.44 179.57 3hea h LYS 189 N 0.26 0.27 -0.57 1.25 1.63 -1.96 -1.32 116.57 116.13 3hea h LYS 189 Ca 0.12 -0.02 -0.08 0.00 -0.85 0.00 0.00 60.65 59.82 3hea h LYS 189 Cb 0.06 -0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 31.61 3hea h LYS 189 CO -0.10 0.18 0.04 0.00 -3.45 0.00 0.00 179.45 176.12 3hea h ALA 190 N 1.24 0.76 -0.75 5.00 0.00 -1.83 -0.28 119.26 123.40 3hea h ALA 190 Ca 0.17 -0.28 0.05 0.00 0.00 0.00 0.00 54.91 54.85 3hea h ALA 190 Cb 0.15 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.68 3hea h ALA 190 CO -0.18 0.56 0.46 1.15 0.00 0.00 0.00 179.25 181.24 3hea h THR 191 N 0.87 1.05 0.07 0.00 2.02 -0.64 -0.83 112.91 115.44 3hea h THR 191 Ca 0.17 -0.30 -0.16 0.00 0.77 0.00 0.00 66.41 66.89 3hea h THR 191 Cb 0.49 0.11 0.02 0.00 -1.74 0.00 0.00 68.15 67.02 3hea h THR 191 CO 0.02 0.16 -0.67 0.58 0.37 0.00 0.00 175.52 175.98 3hea h VAL 192 N 0.86 1.48 -0.98 3.16 2.07 -1.08 -3.28 116.25 118.49 3hea h VAL 192 Ca 0.32 -2.29 0.07 0.00 0.82 0.00 0.00 66.70 65.62 3hea h VAL 192 Cb 0.11 2.91 -0.07 0.00 -1.52 0.00 0.00 31.29 32.73 3hea h VAL 192 CO -0.15 0.65 0.63 0.44 0.02 0.00 0.00 177.57 179.17 3hea h ASP 193 N -0.28 0.99 -0.64 0.57 5.19 -0.93 -1.99 116.42 119.33 3hea h ASP 193 Ca -0.10 0.01 0.03 0.00 -0.62 0.00 0.00 57.03 56.35 3hea h ASP 193 Cb 1.44 -0.19 -0.03 0.00 0.18 0.00 0.00 39.33 40.72 3hea h ASP 193 CO 0.13 0.62 0.42 0.00 -3.12 0.00 0.00 179.24 177.28 3hea h VAL 195 N 0.78 1.13 -0.61 0.00 2.07 -1.42 0.87 116.25 119.08 3hea h VAL 195 Ca 0.25 -0.35 0.05 0.00 0.82 0.00 0.00 66.70 67.47 3hea h VAL 195 Cb 0.03 0.80 -0.05 0.00 -1.52 0.00 0.00 31.29 30.55 3hea h VAL 195 CO -0.07 0.13 0.33 0.74 0.02 0.00 0.00 177.57 178.73 3hea h THR 196 N 0.38 0.97 0.06 2.57 2.02 -1.31 -0.70 112.91 116.90 3hea h THR 196 Ca 0.11 -0.21 -0.00 0.00 0.77 0.00 0.00 66.41 67.07 3hea h THR 196 Cb 0.07 0.30 0.00 0.00 -1.74 0.00 0.00 68.15 66.77 3hea h THR 196 CO -0.02 0.11 -0.03 0.00 0.37 0.00 0.00 175.52 175.96 3hea h ALA 197 N 1.32 -0.08 0.00 6.16 0.00 -0.63 -2.78 119.26 123.25 3hea h ALA 197 Ca 0.27 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 3hea h ALA 197 Cb 0.16 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 3hea h ALA 197 CO -0.17 -0.46 -0.14 0.27 0.00 0.00 0.00 179.25 178.75 3hea h PHE 198 N -0.24 0.00 -0.24 0.00 -5.15 -0.78 -1.96 116.94 108.57 3hea h PHE 198 Ca -0.01 0.00 -0.15 0.00 -0.20 0.00 0.00 57.97 57.61 3hea h PHE 198 Cb 0.21 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 36.37 3hea h PHE 198 CO -0.02 0.14 -0.46 0.00 -2.00 0.00 0.00 178.31 175.96 3hea h ALA 199 N 1.86 0.73 0.00 12.09 0.00 -1.13 -3.40 119.26 129.42 3hea h ALA 199 Ca -0.00 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3hea h ALA 199 Cb 1.07 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.76 3hea h ALA 199 CO 0.02 0.67 -0.23 0.39 0.00 0.00 0.00 179.25 180.09 3hea n GLU 200 N -4.01 5.47 -2.50 0.00 1.02 -1.05 -1.86 120.64 117.71 3hea n GLU 200 Ca -0.02 -0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.70 3hea n GLU 200 Cb 0.56 -0.68 -0.03 0.00 -0.02 0.00 0.00 31.44 31.27 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 -1.36 4.17 -0.35 2.62 2.01 -0.74 -5.01 115.64 116.98 3hea s THR 201 Ca 0.01 1.61 -0.12 0.00 0.31 0.00 0.00 61.69 63.50 3hea s THR 201 Cb 0.02 -4.03 -0.00 0.00 0.01 0.00 0.00 72.50 68.49 3hea s THR 201 CO 0.12 0.16 0.22 -0.62 -0.69 0.00 0.00 174.62 173.81 3hea s ASP 202 N 0.81 5.89 -0.10 3.53 -1.08 -1.26 -4.51 116.67 119.95 3hea s ASP 202 Ca 0.55 -0.58 0.18 0.00 -0.52 0.00 0.00 52.55 52.19 3hea s ASP 202 Cb -0.28 -2.09 0.68 0.00 -1.46 0.00 0.00 42.92 39.77 3hea s ASP 202 CO 0.30 -0.27 1.59 0.49 0.52 0.00 0.00 175.17 177.80 3hea n PHE 203 N 5.07 1.35 -0.25 -5.34 3.72 0.17 -4.51 117.46 117.66 3hea n PHE 203 Ca -0.13 -0.61 -0.07 0.00 -0.05 0.00 0.00 57.45 56.59 3hea n PHE 203 Cb 0.49 -0.21 0.05 0.00 -0.94 0.00 0.00 39.48 38.86 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 3.88 1.13 -0.65 -1.08 3.08 -1.90 -1.54 114.38 117.30 3hea h ARG 204 Ca 0.00 -0.27 0.01 0.00 0.07 0.00 0.00 59.98 59.78 3hea h ARG 204 Cb 1.36 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 31.23 3hea h ARG 204 CO 0.19 1.00 0.43 -1.35 -1.07 0.00 0.00 179.97 179.17 3hea h PRO 205 N 1.06 0.86 -0.84 0.04 0.11 -1.92 -2.49 132.00 128.82 3hea h PRO 205 Ca 0.22 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.27 3hea h PRO 205 Cb 0.37 -0.19 -0.04 0.00 0.11 0.00 0.00 31.00 31.25 3hea h PRO 205 CO 0.00 0.57 0.47 -0.44 -0.21 0.00 0.00 178.00 178.39 3hea h ASP 206 N 0.88 1.03 -0.57 -2.05 5.19 -1.61 -2.84 116.42 116.46 3hea h ASP 206 Ca 0.24 -0.08 0.07 0.00 -0.62 0.00 0.00 57.03 56.64 3hea h ASP 206 Cb -0.10 -0.26 -0.03 0.00 0.18 0.00 0.00 39.33 39.11 3hea h ASP 206 CO -0.05 0.82 0.38 0.24 -3.12 0.00 0.00 179.24 177.51 3hea h MET 207 N 1.17 0.48 0.00 3.56 2.86 -0.88 -0.18 114.93 121.94 3hea h MET 207 Ca 0.30 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.91 3hea h MET 207 Cb 0.01 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 31.56 3hea h MET 207 CO -0.05 0.32 0.00 0.00 1.06 0.00 0.00 176.91 178.24 3hea n ALA 208 N -2.50 2.07 1.05 6.32 0.00 -1.07 -2.89 120.51 123.49 3hea n ALA 208 Ca 0.08 0.01 0.12 0.00 0.00 0.00 0.00 53.44 53.66 3hea n ALA 208 Cb 0.28 -1.44 0.20 0.00 0.00 0.00 0.00 19.45 18.49 3hea n ALA 208 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3hea n LYS 209 N -2.25 0.25 -2.77 0.00 4.76 -0.09 -4.84 118.16 113.22 3hea n LYS 209 Ca 0.04 -0.17 -0.43 0.00 -2.87 0.00 0.00 58.31 54.89 3hea n LYS 209 Cb 0.36 -1.50 -0.04 0.00 -1.84 0.00 0.00 35.03 32.02 3hea n LYS 209 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3hea s ILE 210 N -2.86 4.35 -0.25 -0.18 1.01 -1.14 -4.84 121.20 117.28 3hea s ILE 210 Ca 0.14 0.61 0.09 0.00 0.00 0.00 0.00 60.65 61.49 3hea s ILE 210 Cb 0.18 -4.54 0.44 0.00 0.01 0.00 0.00 42.46 38.55 3hea s ILE 210 CO 0.68 -1.05 1.21 -0.90 0.00 0.00 0.00 174.94 174.88 3hea n ASP 211 N 7.54 3.23 -4.31 3.58 5.75 -1.26 -4.52 116.55 126.55 3hea n ASP 211 Ca 0.05 -3.83 -0.18 0.00 -0.01 0.00 0.00 54.79 50.82 3hea n ASP 211 Cb 0.48 -0.44 -0.10 0.00 -1.03 0.00 0.00 41.12 40.03 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 -3.88 1.60 0.20 2.12 -7.23 -1.26 -5.11 120.40 106.84 3hea s VAL 212 Ca 0.44 -2.08 -0.33 0.00 -1.81 0.00 0.00 61.98 58.20 3hea s VAL 212 Cb 0.39 -1.91 -0.14 0.00 0.56 0.00 0.00 36.38 35.27 3hea s VAL 212 CO -0.02 -0.56 1.42 -2.65 -0.31 0.00 0.00 175.10 172.99 3hea n PRO 213 N -0.14 1.89 -4.30 4.82 -0.02 -1.26 -4.76 135.00 131.23 3hea n PRO 213 Ca -0.10 0.68 -0.19 0.00 -2.02 0.00 0.00 63.50 61.87 3hea n PRO 213 Cb 0.59 -2.35 -0.15 0.00 -0.02 0.00 0.00 33.50 31.57 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 0.25 0.65 -0.17 3.45 2.01 -1.26 -1.21 115.64 119.37 3hea s THR 214 Ca 0.73 -0.30 0.01 0.00 0.31 0.00 0.00 61.69 62.45 3hea s THR 214 Cb -0.71 -0.59 0.02 0.00 0.01 0.00 0.00 72.50 71.23 3hea s THR 214 CO 0.46 0.21 -0.20 -0.22 -0.69 0.00 0.00 174.62 174.18 3hea s LEU 215 N 0.18 2.10 -0.21 4.42 2.96 0.14 -0.75 118.68 127.52 3hea s LEU 215 Ca -0.02 -0.63 -0.09 0.00 -0.22 0.00 0.00 54.13 53.17 3hea s LEU 215 Cb -0.07 -1.46 -0.04 0.00 0.50 0.00 0.00 46.19 45.12 3hea s LEU 215 CO 0.00 0.02 0.10 -0.69 -1.32 0.00 0.00 176.35 174.46 3hea s VAL 216 N 1.19 4.91 -0.05 1.68 1.01 0.50 -0.59 120.40 129.06 3hea s VAL 216 Ca 0.02 0.02 0.04 0.00 0.00 0.00 0.00 61.98 62.07 3hea s VAL 216 Cb -0.14 -3.26 -0.00 0.00 0.00 0.00 0.00 36.38 32.98 3hea s VAL 216 CO -0.10 0.40 -0.18 -0.63 0.00 0.00 0.00 175.10 174.58 3hea s ILE 217 N 0.84 1.52 -0.12 2.22 1.01 -0.08 -0.47 121.20 126.12 3hea s ILE 217 Ca 0.05 -0.77 -0.19 0.00 0.00 0.00 0.00 60.65 59.75 3hea s ILE 217 Cb -0.13 -1.30 0.04 0.00 0.01 0.00 0.00 42.46 41.08 3hea s ILE 217 CO 0.02 0.44 0.47 -2.28 0.00 0.00 0.00 174.94 173.59 3hea s HIS 218 N 0.03 -0.46 0.08 3.97 2.46 -0.91 -0.91 115.29 119.55 3hea s HIS 218 Ca -0.04 1.01 -0.22 0.00 0.47 0.00 0.00 55.06 56.28 3hea s HIS 218 Cb -0.12 0.20 -0.07 0.00 -0.13 0.00 0.00 32.58 32.46 3hea s HIS 218 CO 0.03 -0.35 0.65 0.20 -2.47 0.00 0.00 174.74 172.80 3hea s GLY 219 N -0.37 2.74 0.00 1.59 0.00 -1.26 -1.25 107.32 108.77 3hea s GLY 219 Ca -0.05 0.14 0.20 0.00 0.00 0.00 0.00 44.72 45.01 3hea s GLY 219 CO 0.03 0.68 1.51 2.09 0.00 0.00 0.00 173.10 177.42 3hea n ASP 220 N 1.98 1.73 -1.36 1.64 5.68 -1.09 -2.85 116.55 122.28 3hea n ASP 220 Ca -0.08 -1.74 0.12 0.00 -0.50 0.00 0.00 54.79 52.59 3hea n ASP 220 Cb 0.50 -0.12 0.33 0.00 -1.14 0.00 0.00 41.12 40.69 3hea n ASP 220 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3hea n GLY 221 N 1.13 2.51 3.63 6.12 0.00 -0.70 -4.76 105.19 113.12 3hea n GLY 221 Ca 0.16 -0.80 -0.43 0.00 0.00 0.00 0.00 46.02 44.95 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 -1.00 5.96 0.04 1.61 -1.08 -1.01 -4.58 116.67 116.61 3hea s ASP 222 Ca 0.49 2.09 0.25 0.00 -0.52 0.00 0.00 52.55 54.87 3hea s ASP 222 Cb 0.26 -2.52 0.58 0.00 -1.46 0.00 0.00 42.92 39.78 3hea s ASP 222 CO 0.33 -1.53 1.48 0.00 0.52 0.00 0.00 175.17 175.98 3hea n GLN 223 N 8.15 0.10 -0.12 4.34 6.02 -1.26 -4.33 117.38 130.28 3hea n GLN 223 Ca 0.24 0.03 -0.23 0.00 -0.01 0.00 0.00 57.00 57.03 3hea n GLN 223 Cb 0.44 -1.57 -0.08 0.00 1.02 0.00 0.00 30.24 30.05 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 -1.71 1.41 -4.00 5.09 2.08 -1.26 -4.84 119.36 116.12 3hea n ILE 224 Ca 0.05 -0.25 -0.31 0.00 0.56 0.00 0.00 62.75 62.80 3hea n ILE 224 Cb 0.37 -1.93 -0.15 0.00 -0.75 0.00 0.00 39.64 37.18 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 -2.53 2.17 0.03 1.39 1.01 -1.26 -5.08 120.40 116.12 3hea s VAL 225 Ca -0.34 -2.27 -0.30 0.00 0.00 0.00 0.00 61.98 59.08 3hea s VAL 225 Cb 0.12 -2.60 -0.08 0.00 0.00 0.00 0.00 36.38 33.81 3hea s VAL 225 CO 0.43 -0.60 1.84 -2.84 0.00 0.00 0.00 175.10 173.93 3hea s PRO 226 N 0.96 4.16 0.20 2.72 0.02 -1.26 -4.80 135.00 136.99 3hea s PRO 226 Ca 0.11 2.48 -0.12 0.00 0.02 0.00 0.00 61.00 63.48 3hea s PRO 226 Cb -0.19 -3.98 0.23 0.00 0.02 0.00 0.00 34.50 30.59 3hea s PRO 226 CO -0.09 -0.89 1.68 0.35 -0.33 0.00 0.00 177.00 177.72 3hea h PHE 227 N 9.81 0.01 -0.70 6.54 3.04 -1.81 -2.77 116.94 131.07 3hea h PHE 227 Ca -0.46 0.04 0.13 0.00 3.98 0.00 0.00 57.97 61.66 3hea h PHE 227 Cb 1.22 0.08 -0.04 0.00 2.56 0.00 0.00 35.95 39.76 3hea h PHE 227 CO 0.90 -0.11 0.47 0.93 -2.02 0.00 0.00 178.31 178.48 3hea h GLU 228 N 0.14 0.39 -0.19 1.11 4.39 -1.94 -2.09 114.58 116.39 3hea h GLU 228 Ca 0.28 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.95 3hea h GLU 228 Cb 0.43 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 28.99 3hea h GLU 228 CO -0.44 0.26 0.00 0.25 -1.16 0.00 0.00 179.01 177.92 3hea n THR 229 N -4.47 0.47 0.00 1.13 -2.24 -1.09 -4.34 114.28 103.74 3hea n THR 229 Ca 0.13 -0.73 0.00 0.00 -2.27 0.00 0.00 64.05 61.17 3hea n THR 229 Cb 0.48 0.90 0.00 0.00 -2.10 0.00 0.00 70.33 69.61 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 0.67 0.00 -0.32 4.28 -2.24 -0.92 -4.63 114.28 111.12 3hea n THR 230 Ca 0.10 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.96 3hea n THR 230 Cb 0.37 0.00 0.18 0.00 -2.10 0.00 0.00 70.33 68.78 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 0.87 0.78 3.38 0.00 -1.58 0.22 103.07 106.74 3hea h GLY 231 Ca 0.00 0.22 0.06 0.00 0.00 0.00 0.00 47.33 47.61 3hea h GLY 231 CO 0.00 -0.39 0.65 1.70 0.00 0.00 0.00 176.54 178.50 3hea h LYS 232 N 0.02 1.17 0.11 4.80 3.64 -1.65 -1.65 116.57 123.01 3hea h LYS 232 Ca 0.48 -0.07 -0.26 0.00 -1.27 0.00 0.00 60.65 59.53 3hea h LYS 232 Cb 0.85 -0.26 0.03 0.00 -0.41 0.00 0.00 32.23 32.43 3hea h LYS 232 CO -0.88 0.77 -1.10 0.28 -2.27 0.00 0.00 179.45 176.25 3hea h VAL 233 N 1.20 1.33 -0.69 2.00 2.07 -0.90 -3.22 116.25 118.05 3hea h VAL 233 Ca 0.42 -2.42 0.09 0.00 0.82 0.00 0.00 66.70 65.62 3hea h VAL 233 Cb 0.12 2.76 -0.07 0.00 -1.52 0.00 0.00 31.29 32.58 3hea h VAL 233 CO -0.16 0.72 0.33 0.00 0.02 0.00 0.00 177.57 178.48 3hea h ALA 234 N 0.26 0.93 0.00 1.67 0.00 -0.47 -0.93 119.26 120.72 3hea h ALA 234 Ca -0.17 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 3hea h ALA 234 Cb 1.80 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.56 3hea h ALA 234 CO 0.21 -0.08 -0.16 0.00 0.00 0.00 0.00 179.25 179.22 3hea h ALA 235 N 1.43 1.59 0.04 0.00 0.00 -1.37 -1.78 119.26 119.17 3hea h ALA 235 Ca 0.34 -0.15 -0.26 0.00 0.00 0.00 0.00 54.91 54.85 3hea h ALA 235 Cb 0.37 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 3hea h ALA 235 CO -0.28 0.20 -1.29 0.93 0.00 0.00 0.00 179.25 178.81 3hea h GLU 236 N 0.00 0.09 0.00 0.00 5.08 -1.28 -3.36 114.58 115.12 3hea h GLU 236 Ca -0.00 -0.16 -0.07 0.00 -1.00 0.00 0.00 59.36 58.13 3hea h GLU 236 Cb 0.31 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 3hea h GLU 236 CO 0.02 0.96 -0.53 -0.07 -1.00 0.00 0.00 179.01 178.39 3hea h LEU 237 N 0.03 0.00 -8.98 1.33 3.38 -0.78 -3.43 115.31 106.85 3hea h LEU 237 Ca -0.13 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 57.22 3hea h LEU 237 Cb 1.90 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 42.53 3hea h LEU 237 CO 0.14 0.28 0.07 -0.63 0.09 0.00 0.00 178.44 178.39 3hea s ILE 238 N -3.09 5.03 0.08 1.22 1.01 -0.71 -4.55 121.20 120.19 3hea s ILE 238 Ca 0.03 1.00 -0.31 0.00 0.00 0.00 0.00 60.65 61.38 3hea s ILE 238 Cb 0.07 -3.88 -0.09 0.00 0.01 0.00 0.00 42.46 38.57 3hea s ILE 238 CO 0.74 0.06 1.72 -0.75 0.00 0.00 0.00 174.94 176.70 3hea s LYS 239 N 2.40 4.18 0.00 2.79 2.20 -1.26 -2.18 119.74 127.86 3hea s LYS 239 Ca 0.24 2.42 0.00 0.00 -0.36 0.00 0.00 55.97 58.27 3hea s LYS 239 Cb -0.16 -3.63 0.00 0.00 -1.51 0.00 0.00 37.83 32.53 3hea s LYS 239 CO 0.09 -0.78 0.00 0.41 -0.36 0.00 0.00 175.35 174.71 3hea n GLY 240 N 4.09 0.92 3.77 5.54 0.00 -1.26 -4.88 105.19 113.37 3hea n GLY 240 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 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 -3.66 3.24 -0.08 4.61 0.00 -0.93 -4.64 121.76 120.30 3hea s ALA 241 Ca 0.00 1.40 -0.05 0.00 0.00 0.00 0.00 51.96 53.31 3hea s ALA 241 Cb 0.00 -3.56 -0.04 0.00 0.00 0.00 0.00 23.12 19.52 3hea s ALA 241 CO 0.00 -1.10 0.14 -2.00 0.00 0.00 0.00 175.76 172.80 3hea s GLU 242 N -2.41 3.40 -0.11 0.00 2.12 0.07 -4.95 118.70 116.82 3hea s GLU 242 Ca 0.60 -0.22 0.02 0.00 0.36 0.00 0.00 54.97 55.74 3hea s GLU 242 Cb -0.42 -3.13 -0.01 0.00 0.26 0.00 0.00 34.13 30.83 3hea s GLU 242 CO 0.54 0.74 -0.20 -1.17 -0.54 0.00 0.00 175.26 174.63 3hea s LEU 243 N -1.35 2.35 -0.14 2.70 2.96 -1.26 -0.37 118.68 123.57 3hea s LEU 243 Ca 0.19 -0.46 0.01 0.00 -0.22 0.00 0.00 54.13 53.65 3hea s LEU 243 Cb -0.12 -1.49 0.02 0.00 0.50 0.00 0.00 46.19 45.09 3hea s LEU 243 CO 0.09 0.17 -0.17 -0.54 -1.32 0.00 0.00 176.35 174.58 3hea s LYS 244 N 0.31 2.53 -0.25 1.98 1.02 0.38 -4.98 119.74 120.73 3hea s LYS 244 Ca -0.15 -0.66 -0.09 0.00 0.02 0.00 0.00 55.97 55.09 3hea s LYS 244 Cb -0.17 -2.18 -0.04 0.00 -0.52 0.00 0.00 37.83 34.92 3hea s LYS 244 CO 0.07 -0.14 0.12 0.08 -0.92 0.00 0.00 175.35 174.56 3hea s VAL 245 N 1.18 4.79 -0.46 3.17 1.01 -1.26 -2.13 120.40 126.69 3hea s VAL 245 Ca -0.01 -0.01 -0.25 0.00 0.00 0.00 0.00 61.98 61.71 3hea s VAL 245 Cb -0.14 -3.24 0.03 0.00 0.00 0.00 0.00 36.38 33.02 3hea s VAL 245 CO -0.07 0.32 0.90 -0.31 0.00 0.00 0.00 175.10 175.95 3hea s TYR 246 N 1.47 2.94 0.12 5.22 1.51 -0.38 -4.96 117.35 123.26 3hea s TYR 246 Ca 0.06 0.36 -0.31 0.00 -1.01 0.00 0.00 57.07 56.17 3hea s TYR 246 Cb -0.15 -3.91 -0.10 0.00 -0.11 0.00 0.00 41.96 37.69 3hea s TYR 246 CO 0.06 -1.07 1.85 0.21 -1.11 0.00 0.00 175.55 175.49 3hea s LYS 247 N 3.67 4.13 0.00 -0.62 2.20 -1.26 -1.90 119.74 125.96 3hea s LYS 247 Ca 0.36 2.61 0.00 0.00 -0.36 0.00 0.00 55.97 58.58 3hea s LYS 247 Cb -0.10 -3.66 0.00 0.00 -1.51 0.00 0.00 37.83 32.55 3hea s LYS 247 CO 0.25 -0.86 0.00 -0.25 -0.36 0.00 0.00 175.35 174.13 3hea n ASP 248 N 5.91 -1.73 -4.78 1.43 8.00 -1.26 -4.90 116.55 119.22 3hea n ASP 248 Ca 0.18 0.00 -0.36 0.00 0.71 0.00 0.00 54.79 55.32 3hea n ASP 248 Cb 0.38 -1.76 -0.01 0.00 -0.02 0.00 0.00 41.12 39.71 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 -1.94 2.88 0.80 2.24 0.00 -0.80 -4.26 121.76 120.69 3hea s ALA 249 Ca 0.00 0.83 -0.03 0.00 0.00 0.00 0.00 51.96 52.76 3hea s ALA 249 Cb 0.00 -3.35 0.07 0.00 0.00 0.00 0.00 23.12 19.84 3hea s ALA 249 CO 0.00 -0.60 0.40 -0.35 0.00 0.00 0.00 175.76 175.21 3hea n PRO 250 N -0.76 -0.12 -0.11 0.00 -0.04 -1.26 -1.72 135.00 130.99 3hea n PRO 250 Ca 0.09 -0.78 -0.10 0.00 -0.04 0.00 0.00 63.50 62.67 3hea n PRO 250 Cb 0.50 -0.37 -0.03 0.00 -0.04 0.00 0.00 33.50 33.56 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 0.54 -0.13 0.54 -0.00 -1.76 -3.29 115.15 110.10 3hea h HIS 251 Ca -0.13 -0.07 -0.19 0.00 -0.00 0.00 0.00 60.37 59.98 3hea h HIS 251 Cb 0.40 -0.15 -0.07 0.00 -0.00 0.00 0.00 27.41 27.59 3hea h HIS 251 CO 0.00 0.57 -0.19 0.41 -0.00 0.00 0.00 177.93 178.71 3hea n GLY 252 N -0.55 3.08 0.01 5.26 0.00 0.02 -4.60 105.19 108.42 3hea n GLY 252 Ca -0.02 -1.03 0.11 0.00 0.00 0.00 0.00 46.02 45.08 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 2.04 0.10 0.29 1.61 1.16 -1.24 -2.03 117.46 119.38 3hea n PHE 253 Ca 0.34 0.03 0.17 0.00 -1.87 0.00 0.00 57.45 56.13 3hea n PHE 253 Cb 0.78 -0.55 0.82 0.00 -1.61 0.00 0.00 39.48 38.92 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 2.72 1.06 0.00 1.98 0.00 -1.87 0.28 119.26 123.41 3hea h ALA 254 Ca 0.00 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 3hea h ALA 254 Cb 0.40 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 3hea h ALA 254 CO 0.00 0.05 -0.80 0.28 0.00 0.00 0.00 179.25 178.78 3hea n VAL 255 N -3.22 1.46 0.19 0.00 0.31 -0.86 -3.76 118.33 112.45 3hea n VAL 255 Ca -0.01 0.13 0.06 0.00 -0.01 0.00 0.00 64.34 64.51 3hea n VAL 255 Cb 0.24 -2.27 0.37 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 0.90 -0.57 2.52 1.35 -1.49 -3.13 112.91 111.49 3hea h THR 256 Ca -0.12 -1.42 -0.41 0.00 -0.55 0.00 0.00 66.41 63.91 3hea h THR 256 Cb 0.79 1.86 -0.37 0.00 -1.73 0.00 0.00 68.15 68.70 3hea h THR 256 CO -0.08 0.35 -0.85 1.41 -0.25 0.00 0.00 175.52 176.10 3hea n HIS 257 N -3.60 2.01 -0.00 4.73 -0.00 0.96 -4.92 115.22 114.41 3hea n HIS 257 Ca -0.01 -2.05 -0.09 0.00 -0.00 0.00 0.00 57.72 55.57 3hea n HIS 257 Cb 0.48 -0.30 -0.03 0.00 -0.00 0.00 0.00 29.99 30.14 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 2.08 -0.14 -0.43 -1.41 0.00 -1.55 -1.31 119.26 116.49 3hea h ALA 258 Ca 0.20 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 3hea h ALA 258 Cb 1.43 0.39 -0.02 0.00 0.00 0.00 0.00 17.79 19.60 3hea h ALA 258 CO 0.53 -0.65 0.22 0.37 0.00 0.00 0.00 179.25 179.72 3hea h GLN 259 N -0.25 0.62 -0.60 0.00 4.15 -1.89 0.52 115.11 117.65 3hea h GLN 259 Ca 0.10 -0.08 0.02 0.00 0.77 0.00 0.00 58.65 59.46 3hea h GLN 259 Cb 0.40 -0.12 -0.04 0.00 0.21 0.00 0.00 27.48 27.94 3hea h GLN 259 CO -0.28 0.51 0.38 0.37 -1.93 0.00 0.00 178.83 177.88 3hea h GLN 260 N 0.56 0.74 -0.25 1.69 4.15 -1.91 -1.30 115.11 118.79 3hea h GLN 260 Ca 0.15 -0.04 -0.02 0.00 0.77 0.00 0.00 58.65 59.51 3hea h GLN 260 Cb 0.09 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 27.60 3hea h GLN 260 CO -0.02 0.49 0.10 1.25 -1.93 0.00 0.00 178.83 178.71 3hea h LEU 261 N 0.76 0.34 -0.51 -2.39 5.85 -0.83 -0.60 115.31 117.93 3hea h LEU 261 Ca 0.23 -0.17 0.10 0.00 0.84 0.00 0.00 57.88 58.88 3hea h LEU 261 Cb -0.02 -0.09 -0.08 0.00 0.37 0.00 0.00 40.66 40.84 3hea h LEU 261 CO -0.08 0.42 0.05 0.78 -0.34 0.00 0.00 178.44 179.27 3hea h ASN 262 N 0.25 -0.12 -0.24 1.25 2.35 -0.57 0.33 115.58 118.82 3hea h ASN 262 Ca 0.08 0.11 -0.13 0.00 -0.55 0.00 0.00 56.30 55.81 3hea h ASN 262 Cb 0.19 0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.72 3hea h ASN 262 CO -0.01 -0.03 -0.30 -0.33 -1.65 0.00 0.00 177.43 175.11 3hea h GLU 263 N 0.17 0.75 -0.55 0.81 5.08 -1.05 -1.80 114.58 117.99 3hea h GLU 263 Ca 0.26 -0.34 -0.10 0.00 -1.00 0.00 0.00 59.36 58.18 3hea h GLU 263 Cb 0.38 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 3hea h GLU 263 CO -0.39 0.95 -0.06 -0.44 -1.00 0.00 0.00 179.01 178.08 3hea h ASP 264 N 0.64 0.98 -0.25 1.42 3.32 -0.55 -0.38 116.42 121.60 3hea h ASP 264 Ca 0.07 -0.30 -0.02 0.00 0.02 0.00 0.00 57.03 56.81 3hea h ASP 264 Cb 0.83 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 40.10 3hea h ASP 264 CO 0.07 1.07 0.09 -0.07 -1.72 0.00 0.00 179.24 178.68 3hea h LEU 265 N 0.90 0.35 -0.72 1.55 3.38 -0.80 -0.85 115.31 119.12 3hea h LEU 265 Ca 0.15 -0.18 0.03 0.00 0.09 0.00 0.00 57.88 57.97 3hea h LEU 265 Cb 0.60 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.22 3hea h LEU 265 CO 0.04 0.43 0.46 0.25 0.09 0.00 0.00 178.44 179.71 3hea h LEU 266 N 0.24 0.76 -0.50 1.67 5.85 -1.23 -0.83 115.31 121.28 3hea h LEU 266 Ca 0.08 -0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.77 3hea h LEU 266 Cb 0.20 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.04 3hea h LEU 266 CO -0.01 0.53 0.22 0.00 -0.34 0.00 0.00 178.44 178.85 3hea h ALA 267 N 1.30 0.64 -0.58 1.25 0.00 -0.89 -1.53 119.26 119.45 3hea h ALA 267 Ca 0.29 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 55.07 3hea h ALA 267 Cb -0.00 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 3hea h ALA 267 CO -0.10 0.23 0.38 0.35 0.00 0.00 0.00 179.25 180.11 3hea h PHE 268 N 0.66 0.72 -0.36 0.00 3.57 -0.78 -1.27 116.94 119.49 3hea h PHE 268 Ca 0.17 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.65 3hea h PHE 268 Cb 0.15 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 38.63 3hea h PHE 268 CO -0.00 0.45 0.08 -0.07 -2.23 0.00 0.00 178.31 176.54 3hea h LEU 269 N 0.78 0.48 -0.94 0.59 3.38 -0.86 -2.63 115.31 116.11 3hea h LEU 269 Ca 0.21 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.12 3hea h LEU 269 Cb -0.08 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.54 3hea h LEU 269 CO -0.05 0.49 -0.10 0.29 0.09 0.00 0.00 178.44 179.17 3hea n LYS 270 N -4.34 1.48 0.00 1.13 5.02 -0.60 -5.10 118.16 115.75 3hea n LYS 270 Ca 0.02 -0.94 0.00 0.00 -2.02 0.00 0.00 58.31 55.37 3hea n LYS 270 Cb 0.19 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 33.72 3hea n LYS 270 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77