#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 0.11 0.24 0.44 -4.23 -1.26 -1.30 115.64 109.65 3hea s THR 2 Ca 0.00 -0.95 0.01 0.00 -1.18 0.00 0.00 61.69 59.57 3hea s THR 2 Cb 0.00 -0.76 -0.05 0.00 1.34 0.00 0.00 72.50 73.03 3hea s THR 2 CO 0.00 -0.52 0.09 0.72 -0.54 0.00 0.00 174.62 174.37 3hea s PHE 3 N -2.25 1.44 -0.19 3.99 -0.12 -0.89 -4.97 117.98 114.99 3hea s PHE 3 Ca -0.08 -1.19 -0.01 0.00 -0.05 0.00 0.00 56.93 55.60 3hea s PHE 3 Cb -0.03 -0.82 -0.00 0.00 -0.63 0.00 0.00 43.02 41.54 3hea s PHE 3 CO -0.03 -0.36 -0.11 0.08 -0.05 0.00 0.00 175.22 174.75 3hea s VAL 4 N -3.80 2.89 0.82 -2.49 1.01 -1.26 -0.17 120.40 117.40 3hea s VAL 4 Ca 0.36 -0.67 -0.11 0.00 0.00 0.00 0.00 61.98 61.56 3hea s VAL 4 Cb 0.07 -2.26 0.09 0.00 0.00 0.00 0.00 36.38 34.28 3hea s VAL 4 CO 0.12 0.48 1.09 0.00 0.00 0.00 0.00 175.10 176.79 3hea s ALA 5 N 1.16 1.96 0.31 5.51 0.00 0.10 -4.86 121.76 125.94 3hea s ALA 5 Ca 0.01 0.11 0.06 0.00 0.00 0.00 0.00 51.96 52.14 3hea s ALA 5 Cb -0.14 -3.23 0.85 0.00 0.00 0.00 0.00 23.12 20.59 3hea s ALA 5 CO -0.04 -2.01 1.62 -0.22 0.00 0.00 0.00 175.76 175.11 3hea h LYS 6 N -1.30 0.12 -0.14 0.00 3.64 -1.95 0.16 116.57 117.11 3hea h LYS 6 Ca -0.46 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 3hea h LYS 6 Cb 1.25 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.05 3hea h LYS 6 CO 0.53 0.08 0.00 -0.40 -2.27 0.00 0.00 179.45 177.39 3hea n ASP 7 N -5.29 1.04 0.00 4.20 5.68 -1.26 -4.86 116.55 116.06 3hea n ASP 7 Ca 0.25 -1.73 0.00 0.00 -0.50 0.00 0.00 54.79 52.81 3hea n ASP 7 Cb 0.82 -0.09 0.00 0.00 -1.14 0.00 0.00 41.12 40.71 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 0.94 0.56 3.64 6.12 0.00 0.55 -5.05 105.19 111.94 3hea n GLY 8 Ca 0.12 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.72 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 4.32 0.04 2.61 2.01 -1.24 -4.75 115.64 116.63 3hea s THR 9 Ca 0.00 1.52 -0.30 0.00 0.31 0.00 0.00 61.69 63.21 3hea s THR 9 Cb 0.00 -4.25 -0.05 0.00 0.01 0.00 0.00 72.50 68.21 3hea s THR 9 CO 0.00 -0.43 1.18 -1.58 -0.69 0.00 0.00 174.62 173.10 3hea s GLN 10 N 3.86 4.44 -0.17 4.92 0.74 -1.26 0.02 119.66 132.21 3hea s GLN 10 Ca 0.51 1.73 -0.01 0.00 0.05 0.00 0.00 55.36 57.64 3hea s GLN 10 Cb -0.15 -3.38 -0.01 0.00 1.10 0.00 0.00 33.01 30.57 3hea s GLN 10 CO 0.19 -0.25 -0.12 0.42 -0.55 0.00 0.00 175.29 174.97 3hea s ILE 11 N 1.16 2.96 0.16 -2.34 -1.09 0.76 -1.01 121.20 121.80 3hea s ILE 11 Ca 0.58 -0.67 -0.28 0.00 -2.23 0.00 0.00 60.65 58.05 3hea s ILE 11 Cb -0.28 -2.27 -0.07 0.00 -1.58 0.00 0.00 42.46 38.25 3hea s ILE 11 CO 0.28 0.50 0.88 -0.47 -1.23 0.00 0.00 174.94 174.90 3hea s TYR 12 N 0.86 3.89 0.08 3.97 5.04 -1.26 -2.09 117.35 127.83 3hea s TYR 12 Ca -0.03 1.75 -0.09 0.00 -2.44 0.00 0.00 57.07 56.26 3hea s TYR 12 Cb -0.15 -2.92 0.00 0.00 0.35 0.00 0.00 41.96 39.24 3hea s TYR 12 CO 0.00 0.39 0.20 -0.59 -1.34 0.00 0.00 175.55 174.21 3hea s PHE 13 N -0.74 0.11 -0.04 4.97 -0.71 -0.42 -0.34 117.98 120.81 3hea s PHE 13 Ca 0.41 -0.47 0.01 0.00 -1.04 0.00 0.00 56.93 55.84 3hea s PHE 13 Cb -0.24 -0.04 -0.03 0.00 -1.21 0.00 0.00 43.02 41.50 3hea s PHE 13 CO 0.29 -0.52 -0.05 0.15 -1.34 0.00 0.00 175.22 173.75 3hea s LYS 14 N -3.49 2.73 -0.30 1.99 1.02 0.91 -1.65 119.74 120.95 3hea s LYS 14 Ca 0.02 -0.59 -0.02 0.00 0.02 0.00 0.00 55.97 55.40 3hea s LYS 14 Cb 0.03 -2.61 0.10 0.00 -0.52 0.00 0.00 37.83 34.83 3hea s LYS 14 CO -0.09 0.65 0.11 0.34 -0.92 0.00 0.00 175.35 175.43 3hea s ASP 15 N -1.12 3.85 -0.07 2.83 2.15 -1.26 -1.49 116.67 121.56 3hea s ASP 15 Ca 0.15 -1.51 0.01 0.00 0.43 0.00 0.00 52.55 51.64 3hea s ASP 15 Cb -0.11 -0.68 -0.03 0.00 -0.30 0.00 0.00 42.92 41.80 3hea s ASP 15 CO 0.05 -0.42 -0.09 0.26 -0.17 0.00 0.00 175.17 174.79 3hea s TRP 16 N 1.79 2.87 0.00 -5.34 0.51 0.25 -4.98 118.94 114.04 3hea s TRP 16 Ca 0.09 -0.08 0.00 0.00 -2.12 0.00 0.00 56.10 53.99 3hea s TRP 16 Cb -0.17 -1.71 0.00 0.00 -0.81 0.00 0.00 33.47 30.78 3hea s TRP 16 CO -0.29 0.24 0.00 0.41 -0.51 0.00 0.00 176.95 176.80 3hea n GLY 17 N 2.39 -1.68 3.15 0.98 0.00 -1.26 -1.04 105.19 107.72 3hea n GLY 17 Ca -0.18 -1.30 -0.08 0.00 0.00 0.00 0.00 46.02 44.46 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 0.33 0.00 1.61 1.04 -1.25 -4.68 113.70 106.76 3hea s SER 18 Ca 0.00 -0.91 0.00 0.00 0.48 0.00 0.00 55.95 55.52 3hea s SER 18 Cb 0.00 0.27 0.00 0.00 0.10 0.00 0.00 66.02 66.39 3hea s SER 18 CO 0.00 -0.67 0.00 0.61 0.98 0.00 0.00 173.24 174.16 3hea n GLY 19 N 0.02 0.14 3.76 7.32 0.00 -1.26 -2.98 105.19 112.18 3hea n GLY 19 Ca -0.13 -2.27 -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 4.11 0.16 1.61 -0.14 -1.26 -4.00 119.74 120.23 3hea s LYS 20 Ca 0.00 2.59 -0.25 0.00 -1.36 0.00 0.00 55.97 56.94 3hea s LYS 20 Cb 0.00 -3.01 -0.08 0.00 -1.68 0.00 0.00 37.83 33.06 3hea s LYS 20 CO 0.00 -0.62 0.78 -1.25 -0.76 0.00 0.00 175.35 173.50 3hea s PRO 21 N -0.77 4.58 -0.16 -1.68 0.04 -1.26 -1.47 135.00 134.28 3hea s PRO 21 Ca 0.62 1.17 0.00 0.00 0.04 0.00 0.00 61.00 62.83 3hea s PRO 21 Cb -0.48 -3.27 0.03 0.00 0.04 0.00 0.00 34.50 30.82 3hea s PRO 21 CO 0.51 0.56 -0.14 0.08 0.04 0.00 0.00 177.00 178.05 3hea s VAL 22 N -1.10 1.62 -0.18 -0.36 1.01 0.14 -1.38 120.40 120.16 3hea s VAL 22 Ca 0.36 -0.74 -0.04 0.00 0.00 0.00 0.00 61.98 61.57 3hea s VAL 22 Cb -0.23 -1.55 -0.02 0.00 0.00 0.00 0.00 36.38 34.57 3hea s VAL 22 CO 0.26 0.40 -0.04 -0.22 0.00 0.00 0.00 175.10 175.50 3hea s LEU 23 N 1.45 3.09 -0.12 3.92 0.20 -0.23 -0.63 118.68 126.36 3hea s LEU 23 Ca 0.04 -0.24 -0.03 0.00 0.69 0.00 0.00 54.13 54.59 3hea s LEU 23 Cb -0.14 -1.76 -0.03 0.00 -0.43 0.00 0.00 46.19 43.84 3hea s LEU 23 CO -0.10 0.10 -0.02 -0.36 -0.29 0.00 0.00 176.35 175.68 3hea s PHE 24 N 0.77 3.08 -0.25 5.38 0.40 0.80 -0.14 117.98 128.01 3hea s PHE 24 Ca -0.02 -0.06 0.00 0.00 -0.60 0.00 0.00 56.93 56.26 3hea s PHE 24 Cb -0.15 -1.88 0.04 0.00 0.51 0.00 0.00 43.02 41.54 3hea s PHE 24 CO 0.02 0.20 -0.09 0.45 0.70 0.00 0.00 175.22 176.49 3hea s SER 25 N -0.20 4.25 0.76 1.36 0.15 0.16 -3.81 113.70 116.38 3hea s SER 25 Ca 0.04 -1.09 -0.11 0.00 0.70 0.00 0.00 55.95 55.49 3hea s SER 25 Cb -0.13 -1.60 0.05 0.00 -1.71 0.00 0.00 66.02 62.63 3hea s SER 25 CO 0.02 -0.15 1.08 -1.38 1.20 0.00 0.00 173.24 174.01 3hea s HIS 26 N 1.23 2.93 0.71 3.44 -3.43 -1.26 -1.44 115.29 117.46 3hea s HIS 26 Ca -0.03 1.27 -0.04 0.00 -0.80 0.00 0.00 55.06 55.45 3hea s HIS 26 Cb -0.18 -3.03 0.09 0.00 -1.43 0.00 0.00 32.58 28.04 3hea s HIS 26 CO -0.06 -1.57 0.99 0.20 -2.00 0.00 0.00 174.74 172.31 3hea s GLY 27 N -3.84 1.75 0.27 -1.38 0.00 -1.16 -3.31 107.32 99.64 3hea s GLY 27 Ca 0.60 -1.28 -0.25 0.00 0.00 0.00 0.00 44.72 43.79 3hea s GLY 27 CO 0.55 -0.81 0.88 0.86 0.00 0.00 0.00 173.10 174.58 3hea s TRP 28 N -3.19 3.77 -0.88 1.90 -0.00 -1.26 -1.40 118.94 117.88 3hea s TRP 28 Ca 0.63 1.71 0.01 0.00 -0.00 0.00 0.00 56.10 58.45 3hea s TRP 28 Cb -0.08 -2.86 0.33 0.00 -0.00 0.00 0.00 33.47 30.86 3hea s TRP 28 CO 0.44 0.32 1.54 -0.35 -0.00 0.00 0.00 176.95 178.90 3hea n PRO 29 N 0.91 4.73 0.00 5.86 -0.04 -1.26 -5.00 135.00 140.19 3hea n PRO 29 Ca -0.01 -4.73 0.00 0.00 -0.04 0.00 0.00 63.50 58.72 3hea n PRO 29 Cb 0.49 -2.39 0.00 0.00 -0.04 0.00 0.00 33.50 31.56 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 -0.11 0.00 0.00 1.53 4.77 -0.49 -3.86 117.00 118.83 3hea n LEU 30 Ca 0.42 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.40 3hea n LEU 30 Cb 0.30 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.39 3hea n LEU 30 CO 0.46 0.00 0.00 -0.90 -1.33 0.00 0.00 177.39 175.62 3hea n ASP 31 N 0.00 0.00 0.33 -1.43 5.68 -1.26 -4.27 116.55 115.61 3hea n ASP 31 Ca 0.00 -0.97 0.22 0.00 -0.50 0.00 0.00 54.79 53.54 3hea n ASP 31 Cb 0.00 0.00 1.19 0.00 -1.14 0.00 0.00 41.12 41.17 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 1.76 1.05 0.00 2.12 0.00 -1.90 -2.35 119.26 119.94 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 -0.07 -0.44 0.00 0.00 0.00 179.25 178.74 3hea h ASP 33 N 0.00 0.00 0.04 0.00 5.19 -1.95 -1.99 116.42 117.71 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 0.01 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.52 3hea h ASP 33 CO 0.00 0.07 -0.00 0.00 -3.12 0.00 0.00 179.24 176.19 3hea h MET 34 N 0.00 0.00 -0.14 3.56 -0.00 -1.84 -2.02 114.93 114.49 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 0.28 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.88 3hea h MET 34 CO 0.01 0.00 0.00 0.91 -0.00 0.00 0.00 176.91 177.83 3hea n TRP 35 N -3.21 0.16 -0.31 -0.10 7.02 -0.75 -4.66 117.44 115.59 3hea n TRP 35 Ca -0.03 -0.08 0.09 0.00 -1.02 0.00 0.00 57.50 56.46 3hea n TRP 35 Cb 0.08 0.00 0.30 0.00 -2.42 0.00 0.00 31.31 29.27 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 3.98 0.85 -0.04 -0.99 4.11 -1.49 -0.21 114.58 120.79 3hea h GLU 36 Ca 0.00 -0.05 -0.19 0.00 0.07 0.00 0.00 59.36 59.19 3hea h GLU 36 Cb 0.86 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 3hea h GLU 36 CO 0.00 0.56 -0.78 1.88 0.07 0.00 0.00 179.01 180.74 3hea h TYR 37 N 0.87 0.42 -0.34 2.06 0.05 -1.84 -1.80 116.97 116.40 3hea h TYR 37 Ca 0.46 -0.20 -0.15 0.00 0.05 0.00 0.00 58.73 58.88 3hea h TYR 37 Cb 0.53 -0.06 -0.01 0.00 1.01 0.00 0.00 36.73 38.21 3hea h TYR 37 CO -0.00 0.97 -0.40 1.96 -1.05 0.00 0.00 178.16 179.64 3hea h GLN 38 N 0.19 0.83 -0.17 4.88 7.50 -1.64 -1.97 115.11 124.73 3hea h GLN 38 Ca -0.04 -0.44 -0.02 0.00 0.50 0.00 0.00 58.65 58.65 3hea h GLN 38 Cb 1.37 0.01 -0.01 0.00 0.05 0.00 0.00 27.48 28.91 3hea h GLN 38 CO 0.13 1.08 0.01 0.52 -1.50 0.00 0.00 178.83 179.07 3hea h MET 39 N 0.68 0.30 -0.62 1.46 2.86 -1.02 -1.17 114.93 117.42 3hea h MET 39 Ca 0.05 -0.09 -0.01 0.00 -2.06 0.00 0.00 59.70 57.59 3hea h MET 39 Cb 0.97 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.57 3hea h MET 39 CO 0.09 0.49 0.33 1.49 1.06 0.00 0.00 176.91 180.37 3hea h GLU 40 N 0.07 0.88 -0.28 1.72 4.22 -1.38 0.95 114.58 120.75 3hea h GLU 40 Ca 0.05 -0.11 0.00 0.00 0.08 0.00 0.00 59.36 59.38 3hea h GLU 40 Cb 0.35 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 3hea h GLU 40 CO 0.01 0.67 0.18 -0.92 -2.18 0.00 0.00 179.01 176.78 3hea h TYR 41 N 0.85 0.36 0.15 0.92 3.20 -1.19 -1.51 116.97 119.75 3hea h TYR 41 Ca 0.22 0.01 -0.29 0.00 3.14 0.00 0.00 58.73 61.80 3hea h TYR 41 Cb 0.06 -0.12 0.02 0.00 1.54 0.00 0.00 36.73 38.23 3hea h TYR 41 CO -0.01 0.24 -1.28 -0.07 -1.64 0.00 0.00 178.16 175.40 3hea h LEU 42 N 0.38 0.59 -1.13 2.82 3.38 -1.11 -3.25 115.31 116.99 3hea h LEU 42 Ca 0.10 -0.61 -0.02 0.00 0.09 0.00 0.00 57.88 57.45 3hea h LEU 42 Cb -0.03 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.52 3hea h LEU 42 CO -0.02 1.46 -0.09 0.28 0.09 0.00 0.00 178.44 180.16 3hea h SER 43 N 0.13 0.00 -0.09 -0.43 0.02 -0.77 -1.53 113.55 110.88 3hea h SER 43 Ca -0.17 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.78 3hea h SER 43 Cb 1.99 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.53 3hea h SER 43 CO 0.22 0.09 0.00 -1.54 -1.14 0.00 0.00 176.83 174.46 3hea n SER 44 N -3.20 1.16 -0.88 3.07 3.41 -0.57 -3.67 113.62 112.93 3hea n SER 44 Ca 0.01 -1.55 0.05 0.00 -0.26 0.00 0.00 58.87 57.12 3hea n SER 44 Cb 0.39 -0.05 0.14 0.00 -0.26 0.00 0.00 64.21 64.42 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 -0.04 1.02 -0.43 4.33 1.74 -0.64 -4.99 116.66 117.64 3hea n ARG 45 Ca 0.17 -2.81 0.00 0.00 -0.77 0.00 0.00 57.85 54.44 3hea n ARG 45 Cb 0.26 -1.05 0.00 0.00 -1.02 0.00 0.00 32.46 30.65 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 -0.57 0.76 3.57 -0.13 0.00 -1.15 -5.01 105.19 102.65 3hea n GLY 46 Ca 0.14 -0.25 -0.27 0.00 0.00 0.00 0.00 46.02 45.64 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 2.63 -0.21 1.61 2.02 -0.79 -4.30 117.35 116.32 3hea s TYR 47 Ca 0.00 -0.22 -0.16 0.00 -0.37 0.00 0.00 57.07 56.31 3hea s TYR 47 Cb 0.00 -1.29 -0.04 0.00 -0.40 0.00 0.00 41.96 40.23 3hea s TYR 47 CO 0.00 0.51 0.43 0.50 -1.57 0.00 0.00 175.55 175.42 3hea s ARG 48 N -2.82 4.17 -0.07 -0.62 3.52 -0.54 -3.75 118.95 118.84 3hea s ARG 48 Ca 0.25 0.25 0.04 0.00 -0.13 0.00 0.00 55.73 56.13 3hea s ARG 48 Cb -0.09 -3.55 -0.02 0.00 -1.56 0.00 0.00 34.95 29.73 3hea s ARG 48 CO 0.15 -0.08 -0.18 0.95 -0.81 0.00 0.00 175.30 175.33 3hea s THR 49 N 1.44 2.73 -0.04 4.11 -4.23 -0.21 0.24 115.64 119.68 3hea s THR 49 Ca 0.20 -0.82 0.02 0.00 -1.18 0.00 0.00 61.69 59.91 3hea s THR 49 Cb -0.15 -2.07 0.01 0.00 1.34 0.00 0.00 72.50 71.64 3hea s THR 49 CO 0.08 0.57 -0.09 -0.63 -0.54 0.00 0.00 174.62 174.01 3hea s ILE 50 N -0.29 0.84 -0.06 2.99 1.09 0.19 -0.58 121.20 125.39 3hea s ILE 50 Ca 0.01 -0.34 -0.04 0.00 -1.10 0.00 0.00 60.65 59.18 3hea s ILE 50 Cb -0.13 -0.78 0.02 0.00 -1.06 0.00 0.00 42.46 40.52 3hea s ILE 50 CO 0.03 0.28 0.15 0.00 -0.10 0.00 0.00 174.94 175.29 3hea s ALA 51 N 0.52 -0.34 0.28 9.38 0.00 -0.56 -0.14 121.76 130.90 3hea s ALA 51 Ca -0.09 0.50 0.11 0.00 0.00 0.00 0.00 51.96 52.47 3hea s ALA 51 Cb -0.12 -0.31 -0.05 0.00 0.00 0.00 0.00 23.12 22.64 3hea s ALA 51 CO 0.01 -0.10 -0.10 -0.59 0.00 0.00 0.00 175.76 174.99 3hea s PHE 52 N 0.41 2.49 -0.32 0.00 -0.71 -1.25 -0.06 117.98 118.55 3hea s PHE 52 Ca -0.03 -0.29 -0.18 0.00 -1.04 0.00 0.00 56.93 55.39 3hea s PHE 52 Cb -0.04 -1.11 -0.01 0.00 -1.21 0.00 0.00 43.02 40.64 3hea s PHE 52 CO -0.02 0.66 0.53 -0.51 -1.34 0.00 0.00 175.22 174.55 3hea s ASP 53 N -3.60 6.38 0.52 1.98 1.01 0.54 -3.65 116.67 119.85 3hea s ASP 53 Ca 0.31 0.20 -0.21 0.00 0.71 0.00 0.00 52.55 53.56 3hea s ASP 53 Cb -0.05 -2.28 -0.08 0.00 1.01 0.00 0.00 42.92 41.51 3hea s ASP 53 CO 0.18 -0.43 0.90 -1.14 0.21 0.00 0.00 175.17 174.88 3hea n ARG 54 N 5.72 1.01 -1.57 8.23 0.63 -1.26 -4.36 116.66 125.07 3hea n ARG 54 Ca -0.04 0.38 -0.48 0.00 -0.92 0.00 0.00 57.85 56.79 3hea n ARG 54 Cb 0.49 -2.02 -0.04 0.00 0.45 0.00 0.00 32.46 31.34 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 -0.33 1.10 -0.48 -0.14 1.85 -1.26 -1.09 116.66 116.30 3hea n ARG 55 Ca 0.11 0.39 0.00 0.00 -1.00 0.00 0.00 57.85 57.35 3hea n ARG 55 Cb 0.44 -1.83 0.00 0.00 -1.05 0.00 0.00 32.46 30.02 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 1.84 1.11 3.31 2.89 0.00 0.45 -4.96 105.19 109.82 3hea n GLY 56 Ca 0.14 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.96 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 -3.13 1.68 0.00 1.61 0.40 -0.25 0.06 117.98 118.34 3hea s PHE 57 Ca 0.00 -0.52 0.00 0.00 -0.60 0.00 0.00 56.93 55.81 3hea s PHE 57 Cb 0.00 -0.83 0.00 0.00 0.51 0.00 0.00 43.02 42.70 3hea s PHE 57 CO 0.00 0.28 0.00 0.41 0.70 0.00 0.00 175.22 176.61 3hea n GLY 58 N 0.21 3.24 0.81 4.36 0.00 -1.26 -1.79 105.19 110.76 3hea n GLY 58 Ca -0.13 0.14 0.12 0.00 0.00 0.00 0.00 46.02 46.15 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 2.08 -2.13 1.61 1.74 -1.26 -4.62 116.66 128.08 3hea n ARG 59 Ca 0.00 -1.61 -0.29 0.00 -0.77 0.00 0.00 57.85 55.19 3hea n ARG 59 Cb 0.00 -1.46 0.03 0.00 -1.02 0.00 0.00 32.46 30.01 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 -1.74 5.62 0.95 0.55 0.01 -0.74 -4.58 113.70 113.79 3hea s SER 60 Ca 0.34 0.98 -0.11 0.00 1.31 0.00 0.00 55.95 58.47 3hea s SER 60 Cb 0.20 -1.91 0.17 0.00 0.21 0.00 0.00 66.02 64.69 3hea s SER 60 CO 0.30 -1.14 1.11 -1.81 0.41 0.00 0.00 173.24 172.11 3hea s ASP 61 N -4.31 2.70 -0.70 2.44 1.01 -0.18 -4.53 116.67 113.10 3hea s ASP 61 Ca 0.55 1.94 0.05 0.00 0.71 0.00 0.00 52.55 55.81 3hea s ASP 61 Cb -0.11 -2.47 0.18 0.00 1.01 0.00 0.00 42.92 41.53 3hea s ASP 61 CO 0.49 -3.20 0.54 0.00 0.21 0.00 0.00 175.17 173.21 3hea n GLN 62 N -4.28 1.96 -2.28 8.23 6.02 -1.26 -0.41 117.38 125.36 3hea n GLN 62 Ca 0.09 -4.53 -0.38 0.00 -0.01 0.00 0.00 57.00 52.17 3hea n GLN 62 Cb 0.53 -2.28 -0.02 0.00 1.02 0.00 0.00 30.24 29.49 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 -1.65 4.03 0.17 -1.09 0.04 -1.26 -4.95 135.00 130.29 3hea s PRO 63 Ca 0.27 1.86 -0.05 0.00 0.04 0.00 0.00 61.00 63.12 3hea s PRO 63 Cb -0.01 -2.66 0.05 0.00 0.04 0.00 0.00 34.50 31.92 3hea s PRO 63 CO -0.14 -0.34 1.46 2.35 0.04 0.00 0.00 177.00 180.36 3hea h TRP 64 N 2.60 0.77 -1.72 0.56 2.91 -2.00 -3.45 115.95 115.62 3hea h TRP 64 Ca -0.49 -0.29 -0.50 0.00 1.13 0.00 0.00 58.89 58.74 3hea h TRP 64 Cb 1.24 -0.14 -0.04 0.00 -0.51 0.00 0.00 29.16 29.71 3hea h TRP 64 CO 0.55 1.05 -0.43 0.95 -1.03 0.00 0.00 178.44 179.53 3hea s THR 65 N -3.93 3.13 0.00 2.65 -4.23 -1.26 -4.69 115.64 107.31 3hea s THR 65 Ca -0.08 -1.40 0.00 0.00 -1.18 0.00 0.00 61.69 59.04 3hea s THR 65 Cb 0.11 -3.09 0.00 0.00 1.34 0.00 0.00 72.50 70.86 3hea s THR 65 CO 0.85 -0.11 0.00 0.61 -0.54 0.00 0.00 174.62 175.44 3hea n GLY 66 N -1.42 0.45 2.69 3.99 0.00 -1.26 -4.96 105.19 104.69 3hea n GLY 66 Ca 0.00 -0.59 -0.41 0.00 0.00 0.00 0.00 46.02 45.02 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 1.08 5.90 -3.85 1.61 3.02 -1.26 -4.50 115.26 117.26 3hea n ASN 67 Ca 0.00 -3.00 -0.09 0.00 -0.03 0.00 0.00 54.58 51.45 3hea n ASN 67 Cb 0.00 -1.50 -0.06 0.00 -0.61 0.00 0.00 39.78 37.61 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 1.36 -0.02 0.31 6.41 1.47 -1.26 -4.60 116.67 120.34 3hea s ASP 68 Ca 0.48 -0.67 0.02 0.00 1.18 0.00 0.00 52.55 53.56 3hea s ASP 68 Cb 0.13 0.43 0.51 0.00 -0.34 0.00 0.00 42.92 43.66 3hea s ASP 68 CO -0.04 -0.86 1.84 1.88 0.68 0.00 0.00 175.17 178.66 3hea h TYR 69 N 2.53 0.65 -0.48 2.11 0.05 -1.92 -0.07 116.97 119.84 3hea h TYR 69 Ca -0.32 -0.07 0.01 0.00 0.05 0.00 0.00 58.73 58.39 3hea h TYR 69 Cb 1.23 -0.18 -0.02 0.00 1.01 0.00 0.00 36.73 38.76 3hea h TYR 69 CO 0.39 0.62 0.31 -0.44 -1.05 0.00 0.00 178.16 177.99 3hea h ASP 70 N 0.59 0.54 -0.36 3.88 3.32 -1.96 0.12 116.42 122.56 3hea h ASP 70 Ca 0.12 -0.01 -0.09 0.00 0.02 0.00 0.00 57.03 57.07 3hea h ASP 70 Cb 0.36 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 3hea h ASP 70 CO 0.01 0.39 -0.12 0.74 -1.72 0.00 0.00 179.24 178.55 3hea h THR 71 N 0.64 1.28 -0.65 0.35 2.02 -1.70 -1.69 112.91 113.16 3hea h THR 71 Ca 0.17 -1.21 0.06 0.00 0.77 0.00 0.00 66.41 66.21 3hea h THR 71 Cb -0.07 1.31 -0.05 0.00 -1.74 0.00 0.00 68.15 67.59 3hea h THR 71 CO -0.04 0.40 0.36 -0.26 0.37 0.00 0.00 175.52 176.35 3hea h PHE 72 N 0.51 0.66 -0.73 3.16 0.04 -0.82 0.12 116.94 119.89 3hea h PHE 72 Ca 0.09 0.02 -0.05 0.00 2.80 0.00 0.00 57.97 60.84 3hea h PHE 72 Cb 0.64 -0.20 -0.03 0.00 2.20 0.00 0.00 35.95 38.55 3hea h PHE 72 CO 0.05 0.32 0.28 0.00 -0.60 0.00 0.00 178.31 178.36 3hea h ALA 73 N 1.34 0.94 -0.02 2.45 0.00 -0.63 -2.10 119.26 121.24 3hea h ALA 73 Ca 0.29 -0.19 -0.13 0.00 0.00 0.00 0.00 54.91 54.88 3hea h ALA 73 Cb 0.18 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3hea h ALA 73 CO -0.18 0.58 -0.58 -0.44 0.00 0.00 0.00 179.25 178.63 3hea h ASP 74 N 1.05 0.09 -0.25 0.00 3.32 -0.66 -1.30 116.42 118.66 3hea h ASP 74 Ca 0.24 -0.05 0.03 0.00 0.02 0.00 0.00 57.03 57.27 3hea h ASP 74 Cb 0.23 -0.02 -0.03 0.00 0.22 0.00 0.00 39.33 39.73 3hea h ASP 74 CO -0.02 0.65 0.09 0.44 -1.72 0.00 0.00 179.24 178.68 3hea h ASP 75 N 0.06 0.10 -0.55 6.45 3.32 -0.51 -0.56 116.42 124.73 3hea h ASP 75 Ca -0.00 0.03 -0.04 0.00 0.02 0.00 0.00 57.03 57.03 3hea h ASP 75 Cb 1.04 0.02 -0.03 0.00 0.22 0.00 0.00 39.33 40.58 3hea h ASP 75 CO 0.08 0.09 0.20 0.40 -1.72 0.00 0.00 179.24 178.29 3hea h ILE 76 N 0.20 1.22 -0.59 0.35 2.04 -1.07 -1.41 117.51 118.26 3hea h ILE 76 Ca 0.11 -0.74 0.00 0.00 1.00 0.00 0.00 64.86 65.23 3hea h ILE 76 Cb 0.08 0.55 -0.03 0.00 -0.74 0.00 0.00 36.82 36.68 3hea h ILE 76 CO -0.11 0.29 0.37 0.00 0.00 0.00 0.00 178.15 178.70 3hea h ALA 77 N 1.36 0.75 -0.35 1.87 0.00 -0.84 -1.30 119.26 120.75 3hea h ALA 77 Ca 0.20 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 3hea h ALA 77 Cb 0.22 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3hea h ALA 77 CO -0.01 0.21 -0.12 1.96 0.00 0.00 0.00 179.25 181.28 3hea h GLN 78 N 0.80 0.62 0.05 0.00 4.20 -0.55 0.28 115.11 120.50 3hea h GLN 78 Ca 0.21 -0.19 -0.00 0.00 0.06 0.00 0.00 58.65 58.73 3hea h GLN 78 Cb -0.05 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 27.67 3hea h GLN 78 CO -0.04 0.73 -0.02 1.25 -0.67 0.00 0.00 178.83 180.07 3hea h LEU 79 N 0.56 -0.06 -0.73 1.46 5.85 -1.03 0.44 115.31 121.81 3hea h LEU 79 Ca 0.10 -0.21 0.06 0.00 0.84 0.00 0.00 57.88 58.68 3hea h LEU 79 Cb 0.54 0.02 -0.06 0.00 0.37 0.00 0.00 40.66 41.53 3hea h LEU 79 CO 0.03 0.18 0.42 0.40 -0.34 0.00 0.00 178.44 179.12 3hea h ILE 80 N -0.29 0.97 -0.01 4.05 2.04 -1.03 -1.34 117.51 121.89 3hea h ILE 80 Ca -0.01 -0.26 -0.20 0.00 1.00 0.00 0.00 64.86 65.39 3hea h ILE 80 Cb 0.26 0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 36.49 3hea h ILE 80 CO 0.01 0.14 -0.86 -0.33 0.00 0.00 0.00 178.15 177.11 3hea h GLU 81 N 0.75 0.30 -0.71 2.37 5.08 -0.85 0.49 114.58 122.01 3hea h GLU 81 Ca 0.33 -0.31 0.07 0.00 -1.00 0.00 0.00 59.36 58.45 3hea h GLU 81 Cb 0.21 0.08 -0.06 0.00 0.50 0.00 0.00 28.75 29.48 3hea h GLU 81 CO -0.19 1.00 0.40 1.25 -1.00 0.00 0.00 179.01 180.46 3hea h HIS 82 N 0.18 0.73 -0.02 4.33 2.76 0.37 -2.32 115.15 121.18 3hea h HIS 82 Ca -0.05 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.14 3hea h HIS 82 Cb 1.48 -0.22 0.00 0.00 1.55 0.00 0.00 27.41 30.21 3hea h HIS 82 CO 0.04 0.33 -0.10 1.28 -1.30 0.00 0.00 177.93 178.18 3hea n LEU 83 N -4.77 1.68 -3.97 0.26 4.77 -0.55 -4.95 117.00 109.47 3hea n LEU 83 Ca 0.10 -0.55 -0.26 0.00 -0.03 0.00 0.00 56.01 55.27 3hea n LEU 83 Cb 0.20 -0.03 -0.02 0.00 -2.33 0.00 0.00 43.42 41.24 3hea n LEU 83 CO 0.28 0.29 -0.24 -0.67 -1.33 0.00 0.00 177.39 175.73 3hea n ASP 84 N 0.16 -0.35 -4.79 -1.43 2.03 -0.13 -4.92 116.55 107.12 3hea n ASP 84 Ca 0.16 -1.01 -0.34 0.00 0.52 0.00 0.00 54.79 54.11 3hea n ASP 84 Cb 0.40 -3.01 -0.03 0.00 -0.72 0.00 0.00 41.12 37.76 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 -6.99 3.89 0.01 -2.67 1.43 -0.03 -5.02 118.68 109.31 3hea s LEU 85 Ca 0.02 1.97 -0.07 0.00 -1.03 0.00 0.00 54.13 55.02 3hea s LEU 85 Cb -0.01 -4.50 0.00 0.00 0.03 0.00 0.00 46.19 41.71 3hea s LEU 85 CO 0.89 -0.76 0.14 -0.54 0.23 0.00 0.00 176.35 176.31 3hea s LYS 86 N -3.11 0.50 -1.46 1.70 1.02 -1.26 -4.86 119.74 112.27 3hea s LYS 86 Ca 0.66 -0.44 -0.08 0.00 0.02 0.00 0.00 55.97 56.13 3hea s LYS 86 Cb -0.18 0.21 0.04 0.00 -0.52 0.00 0.00 37.83 37.38 3hea s LYS 86 CO 0.22 -0.12 0.72 0.39 -0.92 0.00 0.00 175.35 175.64 3hea n GLU 87 N 1.36 -5.02 -2.88 1.68 1.02 -0.61 -4.56 120.64 111.62 3hea n GLU 87 Ca -0.22 0.72 -0.40 0.00 -0.02 0.00 0.00 57.16 57.24 3hea n GLU 87 Cb 0.56 -5.58 -0.05 0.00 -0.02 0.00 0.00 31.44 26.35 3hea n GLU 87 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3hea s VAL 88 N -3.15 4.44 -0.35 2.62 0.11 -0.32 -4.35 120.40 119.41 3hea s VAL 88 Ca 0.44 1.84 -0.19 0.00 -2.93 0.00 0.00 61.98 61.13 3hea s VAL 88 Cb -0.21 -4.21 -0.00 0.00 -1.53 0.00 0.00 36.38 30.43 3hea s VAL 88 CO 0.54 0.43 0.57 -0.89 -3.33 0.00 0.00 175.10 172.41 3hea s THR 89 N -0.59 4.97 -0.02 5.04 2.01 -0.48 -0.47 115.64 126.10 3hea s THR 89 Ca 0.40 0.47 -0.22 0.00 0.31 0.00 0.00 61.69 62.65 3hea s THR 89 Cb -0.23 -4.00 -0.05 0.00 0.01 0.00 0.00 72.50 68.23 3hea s THR 89 CO 0.27 -0.24 0.65 -0.76 -0.69 0.00 0.00 174.62 173.85 3hea s LEU 90 N 2.52 4.39 -0.13 4.42 1.43 -0.19 -1.06 118.68 130.05 3hea s LEU 90 Ca 0.21 1.21 -0.00 0.00 -1.03 0.00 0.00 54.13 54.52 3hea s LEU 90 Cb -0.15 -3.01 0.03 0.00 0.03 0.00 0.00 46.19 43.08 3hea s LEU 90 CO 0.14 0.02 -0.08 -0.69 0.23 0.00 0.00 176.35 175.96 3hea s VAL 91 N 0.15 1.16 -0.05 -1.59 1.01 0.80 -0.28 120.40 121.59 3hea s VAL 91 Ca 0.34 -0.43 0.05 0.00 0.00 0.00 0.00 61.98 61.94 3hea s VAL 91 Cb -0.18 -1.19 -0.01 0.00 0.00 0.00 0.00 36.38 35.00 3hea s VAL 91 CO 0.18 0.34 -0.21 -0.83 0.00 0.00 0.00 175.10 174.57 3hea s GLY 92 N 1.65 1.12 -0.12 4.51 0.00 -0.42 0.39 107.32 114.45 3hea s GLY 92 Ca 0.04 -0.89 -0.01 0.00 0.00 0.00 0.00 44.72 43.86 3hea s GLY 92 CO -0.09 -0.53 -0.07 -0.12 0.00 0.00 0.00 173.10 172.30 3hea s PHE 93 N -0.10 2.95 0.00 1.90 5.36 -0.52 -0.42 117.98 127.14 3hea s PHE 93 Ca -0.03 -0.28 0.00 0.00 -0.96 0.00 0.00 56.93 55.66 3hea s PHE 93 Cb -0.12 -1.85 0.00 0.00 -0.34 0.00 0.00 43.02 40.70 3hea s PHE 93 CO 0.03 0.04 0.00 0.45 -1.46 0.00 0.00 175.22 174.28 3hea n SER 94 N 3.12 0.00 0.30 6.13 2.88 0.02 -0.63 113.62 125.44 3hea n SER 94 Ca -0.18 0.00 0.17 0.00 -1.33 0.00 0.00 58.87 57.53 3hea n SER 94 Cb 0.53 0.00 0.92 0.00 -0.75 0.00 0.00 64.21 64.91 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 -1.63 114.93 109.99 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 0.04 0.00 0.78 -0.00 0.00 0.00 176.91 177.73 3hea h GLY 96 N 0.49 0.00 1.71 -3.00 0.00 -0.86 -1.73 103.07 99.68 3hea h GLY 96 Ca -0.00 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 3hea h GLY 96 CO 0.01 0.00 0.02 -1.33 0.00 0.00 0.00 176.54 175.23 3hea h GLY 97 N 2.16 0.40 1.11 4.60 0.00 -1.39 -3.14 103.07 106.81 3hea h GLY 97 Ca 0.00 -0.21 -0.16 0.00 0.00 0.00 0.00 47.33 46.96 3hea h GLY 97 CO 0.00 0.20 -0.40 -1.33 0.00 0.00 0.00 176.54 175.01 3hea h GLY 98 N 0.65 0.98 2.00 4.60 0.00 -1.47 -2.52 103.07 107.31 3hea h GLY 98 Ca 0.09 -1.03 -0.16 0.00 0.00 0.00 0.00 47.33 46.23 3hea h GLY 98 CO 0.00 0.93 -0.76 1.29 0.00 0.00 0.00 176.54 178.00 3hea h ASP 99 N 0.70 0.00 -0.18 0.19 3.04 -1.61 -0.13 116.42 118.43 3hea h ASP 99 Ca 0.05 0.00 -0.18 0.00 -3.24 0.00 0.00 57.03 53.66 3hea h ASP 99 Cb 1.00 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 39.29 3hea h ASP 99 CO 0.10 0.76 -0.56 -0.37 -2.04 0.00 0.00 179.24 177.12 3hea h VAL 100 N 0.00 1.29 -0.15 4.15 -1.51 -1.62 0.00 116.25 118.42 3hea h VAL 100 Ca -0.01 -1.77 -0.00 0.00 -1.23 0.00 0.00 66.70 63.70 3hea h VAL 100 Cb 1.45 1.69 -0.01 0.00 -2.13 0.00 0.00 31.29 32.29 3hea h VAL 100 CO 0.10 0.57 0.09 0.00 -1.23 0.00 0.00 177.57 177.10 3hea h ALA 101 N 0.77 0.19 0.00 5.19 0.00 -1.38 -2.59 119.26 121.44 3hea h ALA 101 Ca 0.01 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 3hea h ALA 101 Cb 1.15 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 3hea h ALA 101 CO 0.12 -0.31 -0.34 -0.09 0.00 0.00 0.00 179.25 178.63 3hea h ARG 102 N 0.18 0.00 0.01 0.00 9.65 -1.00 -0.95 114.38 122.27 3hea h ARG 102 Ca 0.05 0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 58.93 3hea h ARG 102 Cb 0.01 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.59 3hea h ARG 102 CO -0.01 0.34 -0.01 -0.92 2.80 0.00 0.00 179.97 182.18 3hea h TYR 103 N 0.00 -0.02 -0.21 2.20 3.20 -0.82 -0.66 116.97 120.67 3hea h TYR 103 Ca -0.00 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 61.89 3hea h TYR 103 Cb 0.69 0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.95 3hea h TYR 103 CO 0.00 0.05 0.07 0.82 -1.64 0.00 0.00 178.16 177.46 3hea h ILE 104 N -0.08 0.96 -0.75 1.81 2.04 -1.07 0.26 117.51 120.68 3hea h ILE 104 Ca -0.00 -0.06 0.12 0.00 1.00 0.00 0.00 64.86 65.92 3hea h ILE 104 Cb 0.08 0.77 -0.08 0.00 -0.74 0.00 0.00 36.82 36.84 3hea h ILE 104 CO 0.00 0.03 0.35 0.00 0.00 0.00 0.00 178.15 178.53 3hea h ALA 105 N 1.12 1.06 0.00 1.87 0.00 -1.04 0.20 119.26 122.48 3hea h ALA 105 Ca 0.09 0.08 -0.18 0.00 0.00 0.00 0.00 54.91 54.90 3hea h ALA 105 Cb 0.05 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 3hea h ALA 105 CO -0.09 -0.12 -1.28 0.00 0.00 0.00 0.00 179.25 177.76 3hea h ARG 106 N 0.54 0.00 -0.00 0.00 3.08 -0.79 -3.39 114.38 113.82 3hea h ARG 106 Ca 0.39 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.44 3hea h ARG 106 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.57 3hea h ARG 106 CO -0.34 0.40 -0.00 0.72 -1.07 0.00 0.00 179.97 179.68 3hea n HIS 107 N -3.00 0.00 -0.18 3.04 8.25 0.90 -5.09 115.22 119.14 3hea n HIS 107 Ca -0.08 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.39 3hea n HIS 107 Cb 0.86 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.97 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 0.54 -2.25 0.50 -1.41 0.00 0.70 -4.70 105.19 98.57 3hea n GLY 108 Ca 0.00 -1.52 0.08 0.00 0.00 0.00 0.00 46.02 44.58 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 -1.11 2.76 -0.37 1.61 3.41 -1.26 -4.50 113.62 114.16 3hea n SER 109 Ca 0.00 -3.23 0.04 0.00 -0.26 0.00 0.00 58.87 55.42 3hea n SER 109 Cb 0.03 -0.50 0.19 0.00 -0.26 0.00 0.00 64.21 63.68 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 0.77 1.44 -0.16 7.33 0.00 -1.98 -1.35 119.26 125.30 3hea h ALA 110 Ca 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3hea h ALA 110 Cb 1.21 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.72 3hea h ALA 110 CO 0.11 0.39 0.00 0.54 0.00 0.00 0.00 179.25 180.29 3hea n ARG 111 N -4.53 1.85 -4.35 0.00 1.74 -1.26 -4.71 116.66 105.39 3hea n ARG 111 Ca 0.16 -1.27 -0.34 0.00 -0.77 0.00 0.00 57.85 55.64 3hea n ARG 111 Cb 0.23 -1.43 -0.12 0.00 -1.02 0.00 0.00 32.46 30.13 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 -1.80 4.04 -0.14 1.55 1.01 -0.51 -1.18 120.40 123.38 3hea s VAL 112 Ca 0.34 -0.31 0.19 0.00 0.00 0.00 0.00 61.98 62.20 3hea s VAL 112 Cb 0.19 -2.77 -0.26 0.00 0.00 0.00 0.00 36.38 33.54 3hea s VAL 112 CO 0.28 0.50 0.30 0.00 0.00 0.00 0.00 175.10 176.18 3hea n ALA 113 N 3.41 1.93 -3.62 5.51 0.00 0.38 -4.79 120.51 123.32 3hea n ALA 113 Ca -0.17 -0.99 -0.01 0.00 0.00 0.00 0.00 53.44 52.26 3hea n ALA 113 Cb 0.52 -0.46 -0.01 0.00 0.00 0.00 0.00 19.45 19.50 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 -5.12 -0.36 -0.02 0.00 0.00 -1.22 -4.26 107.32 96.34 3hea s GLY 114 Ca -0.08 0.90 0.00 0.00 0.00 0.00 0.00 44.72 45.54 3hea s GLY 114 CO 0.85 0.24 -0.00 -2.27 0.00 0.00 0.00 173.10 171.91 3hea s LEU 115 N -2.72 1.40 -0.10 0.66 2.96 -0.05 -1.02 118.68 119.81 3hea s LEU 115 Ca 0.12 -0.02 0.03 0.00 -0.22 0.00 0.00 54.13 54.04 3hea s LEU 115 Cb 0.02 -0.17 0.00 0.00 0.50 0.00 0.00 46.19 46.55 3hea s LEU 115 CO -0.04 -0.07 -0.21 -0.69 -1.32 0.00 0.00 176.35 174.02 3hea s VAL 116 N 0.71 1.89 -0.26 1.68 1.01 0.61 -0.51 120.40 125.53 3hea s VAL 116 Ca -0.07 -0.91 0.00 0.00 0.00 0.00 0.00 61.98 61.00 3hea s VAL 116 Cb -0.10 -1.66 0.05 0.00 0.00 0.00 0.00 36.38 34.67 3hea s VAL 116 CO -0.01 0.52 -0.07 -0.76 0.00 0.00 0.00 175.10 174.78 3hea s LEU 117 N 0.51 3.43 -0.23 3.92 1.43 -0.19 -1.30 118.68 126.26 3hea s LEU 117 Ca -0.15 -1.17 -0.06 0.00 -1.03 0.00 0.00 54.13 51.72 3hea s LEU 117 Cb -0.17 -1.63 -0.02 0.00 0.03 0.00 0.00 46.19 44.40 3hea s LEU 117 CO 0.06 -0.18 0.01 -0.76 0.23 0.00 0.00 176.35 175.70 3hea s LEU 118 N 1.22 3.18 -1.71 1.79 1.43 0.44 -1.13 118.68 123.89 3hea s LEU 118 Ca -0.05 -0.29 -0.21 0.00 -1.03 0.00 0.00 54.13 52.56 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 -0.04 -0.02 0.60 0.61 0.23 0.00 0.00 176.35 177.74 3hea n GLY 119 N 4.79 -0.42 3.84 -3.19 0.00 -0.11 -0.80 105.19 109.30 3hea n GLY 119 Ca -0.17 0.08 -0.32 0.00 0.00 0.00 0.00 46.02 45.61 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 -3.16 3.13 -1.42 4.61 0.00 -1.26 -3.09 121.76 120.57 3hea s ALA 120 Ca 0.75 0.15 0.24 0.00 0.00 0.00 0.00 51.96 53.10 3hea s ALA 120 Cb -0.43 -3.02 1.20 0.00 0.00 0.00 0.00 23.12 20.87 3hea s ALA 120 CO 0.92 -0.07 1.79 1.33 0.00 0.00 0.00 175.76 179.73 3hea n VAL 121 N -1.23 0.24 -2.22 0.00 0.24 -0.97 -4.30 118.33 110.10 3hea n VAL 121 Ca 0.06 0.06 -0.36 0.00 -2.04 0.00 0.00 64.34 62.06 3hea n VAL 121 Cb 0.54 -0.67 0.00 0.00 -1.47 0.00 0.00 33.84 32.25 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 -2.58 3.05 -0.94 3.34 -4.23 -1.26 -2.40 115.64 110.61 3hea s THR 122 Ca 0.22 0.71 0.26 0.00 -1.18 0.00 0.00 61.69 61.70 3hea s THR 122 Cb 0.16 -3.32 0.05 0.00 1.34 0.00 0.00 72.50 70.73 3hea s THR 122 CO 0.37 -0.08 1.49 -0.81 -0.54 0.00 0.00 174.62 175.04 3hea n PRO 123 N -0.99 0.05 -3.64 3.99 -0.04 -1.26 -3.60 135.00 129.51 3hea n PRO 123 Ca 0.10 0.01 -0.09 0.00 -0.04 0.00 0.00 63.50 63.48 3hea n PRO 123 Cb 0.49 -1.53 -0.07 0.00 -0.04 0.00 0.00 33.50 32.35 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 -3.03 0.00 -0.04 0.52 2.07 -1.01 0.49 121.20 120.21 3hea s ILE 124 Ca 0.11 0.00 -0.06 0.00 -1.41 0.00 0.00 60.65 59.28 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 0.67 0.00 -0.12 0.33 -1.91 0.00 0.00 174.94 173.91 3hea n PHE 125 N 2.60 0.00 -1.97 3.50 -0.00 -1.22 -4.64 117.46 115.73 3hea n PHE 125 Ca -0.14 0.00 -0.28 0.00 -0.00 0.00 0.00 57.45 57.03 3hea n PHE 125 Cb 0.56 -0.18 0.08 0.00 -0.00 0.00 0.00 39.48 39.94 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 -3.89 1.61 0.41 7.13 0.00 -0.76 -1.41 107.32 110.41 3hea s GLY 126 Ca -0.10 -0.68 -0.26 0.00 0.00 0.00 0.00 44.72 43.67 3hea s GLY 126 CO 0.15 -0.22 1.39 1.20 0.00 0.00 0.00 173.10 175.62 3hea s GLN 127 N -5.48 3.94 0.28 2.90 -0.21 -0.12 -4.42 119.66 116.55 3hea s GLN 127 Ca 0.61 2.35 0.04 0.00 0.02 0.00 0.00 55.36 58.38 3hea s GLN 127 Cb -0.11 -2.80 -0.06 0.00 1.00 0.00 0.00 33.01 31.04 3hea s GLN 127 CO 0.48 -0.59 0.03 0.15 -2.12 0.00 0.00 175.29 173.24 3hea s LYS 128 N -2.24 1.51 0.22 2.91 -0.14 -1.02 -4.89 119.74 116.10 3hea s LYS 128 Ca 0.57 -1.81 -0.07 0.00 -1.36 0.00 0.00 55.97 53.30 3hea s LYS 128 Cb -0.42 -0.76 0.35 0.00 -1.68 0.00 0.00 37.83 35.32 3hea s LYS 128 CO 0.55 -0.14 1.73 -1.35 -0.76 0.00 0.00 175.35 175.38 3hea h PRO 129 N 2.28 0.38 -0.65 -1.68 0.11 -2.02 0.16 132.00 130.59 3hea h PRO 129 Ca -0.40 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.69 3hea h PRO 129 Cb 1.24 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3hea h PRO 129 CO 0.67 0.25 0.00 -0.40 -0.21 0.00 0.00 178.00 178.31 3hea n ASP 130 N -5.02 3.04 -3.02 -2.05 5.75 -1.26 -4.33 116.55 109.65 3hea n ASP 130 Ca 0.11 -2.32 -0.15 0.00 -0.01 0.00 0.00 54.79 52.42 3hea n ASP 130 Cb 0.34 -0.48 0.01 0.00 -1.03 0.00 0.00 41.12 39.96 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 0.44 -0.68 0.28 2.11 9.36 0.55 -4.93 117.16 124.29 3hea n TYR 131 Ca 0.14 -3.25 0.11 0.00 3.32 0.00 0.00 57.90 58.22 3hea n TYR 131 Cb 0.61 0.20 0.50 0.00 -0.63 0.00 0.00 39.34 40.02 3hea n TYR 131 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 3hea n PRO 132 N 0.26 0.15 0.03 2.98 -0.04 -1.17 -1.69 135.00 135.53 3hea n PRO 132 Ca 0.18 0.52 0.12 0.00 -0.04 0.00 0.00 63.50 64.27 3hea n PRO 132 Cb 0.69 -1.88 0.48 0.00 -0.04 0.00 0.00 33.50 32.75 3hea n PRO 132 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3hea n GLN 133 N -2.18 0.07 -1.07 0.54 0.00 -1.26 -4.83 117.38 108.65 3hea n GLN 133 Ca 0.00 0.16 -0.29 0.00 0.00 0.00 0.00 57.00 56.87 3hea n GLN 133 Cb 0.13 -1.60 0.22 0.00 0.00 0.00 0.00 30.24 28.99 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 -3.16 1.57 -0.08 2.61 0.00 -0.68 -4.94 107.32 102.64 3hea s GLY 134 Ca 0.10 -0.72 -0.30 0.00 0.00 0.00 0.00 44.72 43.81 3hea s GLY 134 CO 0.45 0.07 1.16 0.14 0.00 0.00 0.00 173.10 174.92 3hea s VAL 135 N -2.96 4.38 0.38 1.40 1.01 -0.50 -4.31 120.40 119.80 3hea s VAL 135 Ca 0.69 1.69 -0.26 0.00 0.00 0.00 0.00 61.98 64.10 3hea s VAL 135 Cb -0.14 -4.09 -0.11 0.00 0.00 0.00 0.00 36.38 32.04 3hea s VAL 135 CO 0.57 -0.01 1.17 -2.65 0.00 0.00 0.00 175.10 174.17 3hea n PRO 136 N 5.26 1.75 0.26 2.72 -0.02 -1.26 -0.94 135.00 142.77 3hea n PRO 136 Ca 0.11 0.62 0.14 0.00 -2.02 0.00 0.00 63.50 62.34 3hea n PRO 136 Cb 0.47 -2.19 0.67 0.00 -0.02 0.00 0.00 33.50 32.43 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 2.07 0.00 -1.73 2.45 3.38 -1.93 -2.31 115.31 117.23 3hea h LEU 137 Ca -0.45 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.49 3hea h LEU 137 Cb 1.31 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.06 3hea h LEU 137 CO 0.60 0.11 -0.12 -2.24 0.09 0.00 0.00 178.44 176.88 3hea h ASP 138 N 0.00 0.00 -0.52 -0.43 2.03 -1.99 -0.74 116.42 114.77 3hea h ASP 138 Ca -0.00 0.00 -0.03 0.00 -0.73 0.00 0.00 57.03 56.27 3hea h ASP 138 Cb 0.49 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 38.97 3hea h ASP 138 CO 0.01 0.12 0.22 0.58 -1.03 0.00 0.00 179.24 179.15 3hea h VAL 139 N 0.00 1.21 -0.02 4.15 2.07 -1.77 -1.71 116.25 120.18 3hea h VAL 139 Ca -0.00 -0.64 -0.20 0.00 0.82 0.00 0.00 66.70 66.68 3hea h VAL 139 Cb 0.44 0.66 -0.00 0.00 -1.52 0.00 0.00 31.29 30.87 3hea h VAL 139 CO 0.02 0.24 -0.86 -0.26 0.02 0.00 0.00 177.57 176.73 3hea h PHE 140 N 0.70 0.48 -0.98 1.57 0.04 -1.52 -2.58 116.94 114.64 3hea h PHE 140 Ca 0.17 -0.25 0.01 0.00 2.80 0.00 0.00 57.97 60.70 3hea h PHE 140 Cb 0.17 -0.06 -0.05 0.00 2.20 0.00 0.00 35.95 38.21 3hea h PHE 140 CO 0.00 1.05 0.65 0.00 -0.60 0.00 0.00 178.31 179.41 3hea h ALA 141 N 0.88 1.25 -0.48 2.45 0.00 -1.06 -1.16 119.26 121.13 3hea h ALA 141 Ca -0.05 -0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.67 3hea h ALA 141 Cb 1.47 -0.40 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 3hea h ALA 141 CO 0.14 0.64 -0.15 0.00 0.00 0.00 0.00 179.25 179.88 3hea h ARG 142 N 1.34 0.96 -0.60 0.00 3.08 -1.23 -1.72 114.38 116.20 3hea h ARG 142 Ca 0.36 -0.38 0.06 0.00 0.07 0.00 0.00 59.98 60.08 3hea h ARG 142 Cb -0.15 -0.05 -0.05 0.00 0.08 0.00 0.00 29.97 29.80 3hea h ARG 142 CO -0.08 1.05 0.31 0.74 -1.07 0.00 0.00 179.97 180.93 3hea h PHE 143 N 0.81 0.57 -0.70 3.04 0.04 -1.10 -1.32 116.94 118.27 3hea h PHE 143 Ca 0.12 0.02 -0.07 0.00 2.80 0.00 0.00 57.97 60.84 3hea h PHE 143 Cb 0.72 -0.17 -0.03 0.00 2.20 0.00 0.00 35.95 38.67 3hea h PHE 143 CO 0.05 0.27 0.17 0.87 -0.60 0.00 0.00 178.31 179.06 3hea h LYS 144 N 0.59 1.13 -0.65 1.51 1.57 -1.04 -0.05 116.57 119.63 3hea h LYS 144 Ca 0.27 -0.28 0.01 0.00 -1.87 0.00 0.00 60.65 58.79 3hea h LYS 144 Cb 0.18 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.31 3hea h LYS 144 CO -0.18 1.00 0.42 1.15 -0.57 0.00 0.00 179.45 181.27 3hea h THR 145 N 1.07 1.15 -0.52 -0.16 2.02 -0.92 -0.77 112.91 114.76 3hea h THR 145 Ca 0.22 -0.29 -0.10 0.00 0.77 0.00 0.00 66.41 67.00 3hea h THR 145 Cb 0.38 0.22 -0.02 0.00 -1.74 0.00 0.00 68.15 66.99 3hea h THR 145 CO 0.00 0.16 -0.08 -0.33 0.37 0.00 0.00 175.52 175.64 3hea h GLU 146 N 0.86 0.96 -0.14 6.66 4.39 -0.86 -2.78 114.58 123.67 3hea h GLU 146 Ca 0.24 -0.33 -0.05 0.00 0.34 0.00 0.00 59.36 59.56 3hea h GLU 146 Cb -0.07 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.49 3hea h GLU 146 CO -0.06 1.00 -0.16 -0.07 -1.16 0.00 0.00 179.01 178.55 3hea h LEU 147 N 0.86 0.22 -0.21 1.33 3.38 -0.69 -1.06 115.31 119.14 3hea h LEU 147 Ca 0.14 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3hea h LEU 147 Cb 0.62 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.32 3hea h LEU 147 CO 0.04 0.40 -0.04 0.18 0.09 0.00 0.00 178.44 179.11 3hea n LEU 148 N -4.25 0.37 -0.13 1.67 4.77 -0.32 -2.88 117.00 116.21 3hea n LEU 148 Ca -0.01 -0.02 -0.28 0.00 -0.03 0.00 0.00 56.01 55.68 3hea n LEU 148 Cb 0.29 -0.11 -0.10 0.00 -2.33 0.00 0.00 43.42 41.17 3hea n LEU 148 CO 0.38 0.06 -1.42 0.29 -1.33 0.00 0.00 177.39 175.38 3hea n LYS 149 N -0.87 0.58 -2.95 3.23 5.02 -0.81 -4.96 118.16 117.40 3hea n LYS 149 Ca 0.18 0.24 -0.02 0.00 -2.02 0.00 0.00 58.31 56.69 3hea n LYS 149 Cb 0.22 -1.46 0.00 0.00 -0.02 0.00 0.00 35.03 33.77 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 -7.30 -1.48 0.41 4.39 -1.08 -0.47 -5.01 116.67 106.14 3hea s ASP 150 Ca -0.37 -1.32 0.18 0.00 -0.52 0.00 0.00 52.55 50.52 3hea s ASP 150 Cb 0.14 1.91 0.91 0.00 -1.46 0.00 0.00 42.92 44.42 3hea s ASP 150 CO 0.49 -0.10 1.88 0.08 0.52 0.00 0.00 175.17 178.04 3hea h ARG 151 N 5.84 0.00 0.07 4.34 0.11 -1.70 -1.86 114.38 121.18 3hea h ARG 151 Ca 0.05 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.13 3hea h ARG 151 Cb 1.14 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.22 3hea h ARG 151 CO 0.05 0.30 -0.04 0.00 0.10 0.00 0.00 179.97 180.38 3hea h ALA 152 N 1.70 -0.10 -0.16 0.08 0.00 -1.94 -1.63 119.26 117.21 3hea h ALA 152 Ca -0.00 -0.16 -0.17 0.00 0.00 0.00 0.00 54.91 54.58 3hea h ALA 152 Cb 0.61 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 3hea h ALA 152 CO 0.04 -0.40 -0.60 0.37 0.00 0.00 0.00 179.25 178.66 3hea h GLN 153 N -0.41 0.52 -0.44 0.00 5.75 -1.96 -1.73 115.11 116.83 3hea h GLN 153 Ca -0.01 -0.35 0.07 0.00 -0.15 0.00 0.00 58.65 58.21 3hea h GLN 153 Cb 0.35 0.05 -0.06 0.00 1.07 0.00 0.00 27.48 28.89 3hea h GLN 153 CO 0.02 0.96 0.08 0.35 -2.65 0.00 0.00 178.83 177.59 3hea h PHE 154 N 0.39 0.13 -0.16 3.99 3.57 -1.32 0.11 116.94 123.65 3hea h PHE 154 Ca -0.00 0.03 -0.17 0.00 3.53 0.00 0.00 57.97 61.36 3hea h PHE 154 Cb 1.15 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.89 3hea h PHE 154 CO 0.05 -0.00 -0.59 0.82 -2.23 0.00 0.00 178.31 176.35 3hea h ILE 155 N 0.21 1.33 -0.26 1.41 2.04 -1.15 -0.58 117.51 120.51 3hea h ILE 155 Ca 0.22 -1.87 0.03 0.00 1.00 0.00 0.00 64.86 64.24 3hea h ILE 155 Cb 0.28 1.85 -0.03 0.00 -0.74 0.00 0.00 36.82 38.18 3hea h ILE 155 CO -0.29 0.58 0.06 -1.28 0.00 0.00 0.00 178.15 177.22 3hea h SER 156 N 0.39 0.03 0.33 1.72 0.87 -0.95 -2.22 113.55 113.73 3hea h SER 156 Ca -0.00 0.04 -0.06 0.00 -1.23 0.00 0.00 61.79 60.54 3hea h SER 156 Cb 1.14 0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 63.14 3hea h SER 156 CO 0.11 0.05 -0.28 0.44 -0.53 0.00 0.00 176.83 176.62 3hea h ASP 157 N 0.16 0.00 0.26 6.23 3.32 -0.79 -2.57 116.42 123.03 3hea h ASP 157 Ca 0.12 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.15 3hea h ASP 157 Cb 0.11 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.66 3hea h ASP 157 CO -0.15 0.28 -0.10 0.15 -1.72 0.00 0.00 179.24 177.71 3hea h PHE 158 N 0.00 0.00 -0.79 4.55 3.04 -0.48 -3.10 116.94 120.17 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 0.53 0.00 -0.10 0.00 2.56 0.00 0.00 35.95 38.94 3hea h PHE 158 CO 0.00 0.10 0.33 -0.91 -2.02 0.00 0.00 178.31 175.80 3hea h ASN 159 N 0.00 0.31 0.73 0.41 2.35 -1.26 -1.77 115.58 116.35 3hea h ASN 159 Ca -0.00 0.11 -0.03 0.00 -0.55 0.00 0.00 56.30 55.83 3hea h ASN 159 Cb 0.25 0.09 -0.00 0.00 0.05 0.00 0.00 38.32 38.71 3hea h ASN 159 CO 0.01 0.10 -0.42 0.00 -1.65 0.00 0.00 177.43 175.48 3hea h ALA 160 N 1.57 -1.09 -0.03 -0.83 0.00 -1.75 -1.71 119.26 115.42 3hea h ALA 160 Ca 0.44 -0.22 -0.12 0.00 0.00 0.00 0.00 54.91 55.01 3hea h ALA 160 Cb 0.69 0.50 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 3hea h ALA 160 CO -0.42 -1.13 -0.52 -1.00 0.00 0.00 0.00 179.25 176.19 3hea h PRO 161 N -1.07 0.08 -0.24 0.00 0.13 -1.75 0.11 132.00 129.26 3hea h PRO 161 Ca -0.10 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.99 3hea h PRO 161 Cb 0.85 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.97 3hea h PRO 161 CO 0.12 0.58 0.16 0.35 -0.23 0.00 0.00 178.00 178.97 3hea h PHE 162 N 0.06 0.30 -0.00 1.56 3.04 -1.21 -3.07 116.94 117.62 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 0.94 -0.10 0.00 0.00 2.56 0.00 0.00 35.95 39.35 3hea h PHE 162 CO 0.01 0.19 -0.62 0.66 -2.02 0.00 0.00 178.31 176.53 3hea n TYR 163 N -4.92 0.00 -1.06 0.41 4.01 -0.65 -0.39 117.16 114.56 3hea n TYR 163 Ca -0.03 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.70 3hea n TYR 163 Cb 0.03 -0.13 -0.01 0.00 -0.31 0.00 0.00 39.34 38.92 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 1.47 0.49 0.29 2.72 0.00 -0.11 -4.72 105.19 105.33 3hea n GLY 164 Ca 0.06 -1.02 0.02 0.00 0.00 0.00 0.00 46.02 45.09 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 0.88 0.00 -0.61 1.08 -1.07 0.86 117.51 118.65 3hea h ILE 165 Ca -0.03 -0.24 0.00 0.00 -0.39 0.00 0.00 64.86 64.20 3hea h ILE 165 Cb 0.11 0.11 0.00 0.00 -3.07 0.00 0.00 36.82 33.97 3hea h ILE 165 CO 0.04 0.13 0.00 -0.46 -0.69 0.00 0.00 178.15 177.17 3hea n ASN 166 N -4.79 0.00 -2.52 1.72 6.94 -1.23 -2.80 115.26 112.57 3hea n ASN 166 Ca 0.13 0.20 -0.12 0.00 -0.02 0.00 0.00 54.58 54.77 3hea n ASN 166 Cb 0.28 -0.32 0.03 0.00 -2.36 0.00 0.00 39.78 37.41 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 -1.32 2.39 0.00 -3.83 5.02 0.26 -5.01 118.16 115.68 3hea n LYS 167 Ca 0.04 -3.79 0.00 0.00 -2.02 0.00 0.00 58.31 52.55 3hea n LYS 167 Cb 0.08 -1.82 0.00 0.00 -0.02 0.00 0.00 35.03 33.27 3hea n LYS 167 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hea n GLY 168 N -0.52 2.94 3.74 0.72 0.00 -1.12 -5.03 105.19 105.92 3hea n GLY 168 Ca 0.22 -0.04 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 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 0.00 2.78 -0.21 1.61 -1.52 -0.99 -4.99 119.66 116.34 3hea s GLN 169 Ca 0.00 2.10 -0.03 0.00 -1.95 0.00 0.00 55.36 55.47 3hea s GLN 169 Cb 0.00 -1.98 -0.00 0.00 -0.22 0.00 0.00 33.01 30.80 3hea s GLN 169 CO 0.00 -1.43 -0.06 0.08 -0.25 0.00 0.00 175.29 173.63 3hea s VAL 170 N -1.38 3.21 -0.05 1.09 1.01 -1.26 -4.31 120.40 118.71 3hea s VAL 170 Ca 0.79 -0.55 0.03 0.00 0.00 0.00 0.00 61.98 62.25 3hea s VAL 170 Cb -0.38 -2.45 0.00 0.00 0.00 0.00 0.00 36.38 33.56 3hea s VAL 170 CO 0.41 0.44 -0.14 0.68 0.00 0.00 0.00 175.10 176.49 3hea s VAL 171 N 1.45 1.23 0.82 2.92 -7.23 -1.26 -4.99 120.40 113.34 3hea s VAL 171 Ca 0.06 -0.58 -0.11 0.00 -1.81 0.00 0.00 61.98 59.54 3hea s VAL 171 Cb -0.14 -1.08 0.09 0.00 0.56 0.00 0.00 36.38 35.81 3hea s VAL 171 CO -0.04 0.37 1.13 -0.94 -0.31 0.00 0.00 175.10 175.30 3hea s SER 172 N 0.27 3.82 0.40 4.85 1.04 -1.26 -4.90 113.70 117.93 3hea s SER 172 Ca -0.07 2.04 0.10 0.00 0.48 0.00 0.00 55.95 58.50 3hea s SER 172 Cb -0.12 -2.55 0.85 0.00 0.10 0.00 0.00 66.02 64.29 3hea s SER 172 CO 0.02 -2.50 1.97 -0.61 0.98 0.00 0.00 173.24 173.10 3hea h GLN 173 N -1.30 0.27 -0.34 4.02 5.75 -2.00 -2.73 115.11 118.79 3hea h GLN 173 Ca -0.44 -0.05 0.01 0.00 -0.15 0.00 0.00 58.65 58.02 3hea h GLN 173 Cb 1.25 -0.05 -0.02 0.00 1.07 0.00 0.00 27.48 29.74 3hea h GLN 173 CO 0.47 0.34 0.21 0.78 -2.65 0.00 0.00 178.83 177.97 3hea h GLY 174 N 0.62 0.47 1.07 2.39 0.00 -1.99 -0.02 103.07 105.61 3hea h GLY 174 Ca 0.06 -0.16 -0.04 0.00 0.00 0.00 0.00 47.33 47.19 3hea h GLY 174 CO 0.01 0.15 0.36 -2.08 0.00 0.00 0.00 176.54 174.98 3hea h VAL 175 N 0.42 1.26 -0.27 4.60 2.07 -1.87 -0.54 116.25 121.92 3hea h VAL 175 Ca 0.13 -0.77 -0.13 0.00 0.82 0.00 0.00 66.70 66.75 3hea h VAL 175 Cb -0.02 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 29.99 3hea h VAL 175 CO -0.05 0.32 -0.37 1.56 0.02 0.00 0.00 177.57 179.05 3hea h GLN 176 N 1.17 0.62 -0.39 1.57 4.20 -1.21 -0.91 115.11 120.15 3hea h GLN 176 Ca 0.28 -0.30 -0.05 0.00 0.06 0.00 0.00 58.65 58.63 3hea h GLN 176 Cb 0.16 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.93 3hea h GLN 176 CO -0.03 0.89 0.04 1.15 -0.67 0.00 0.00 178.83 180.21 3hea h THR 177 N 0.51 1.25 -0.70 -0.54 2.02 -0.74 -1.95 112.91 112.76 3hea h THR 177 Ca 0.05 -0.92 -0.07 0.00 0.77 0.00 0.00 66.41 66.24 3hea h THR 177 Cb 0.88 1.09 -0.03 0.00 -1.74 0.00 0.00 68.15 68.34 3hea h THR 177 CO 0.08 0.31 0.17 -0.61 0.37 0.00 0.00 175.52 175.84 3hea h GLN 178 N 0.50 1.12 -0.02 6.66 4.15 -0.95 -0.16 115.11 126.41 3hea h GLN 178 Ca 0.12 -0.27 0.01 0.00 0.77 0.00 0.00 58.65 59.27 3hea h GLN 178 Cb 0.41 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 27.95 3hea h GLN 178 CO 0.01 0.99 -0.02 1.15 -1.93 0.00 0.00 178.83 179.03 3hea h THR 179 N 1.06 0.93 -0.50 2.39 2.02 -1.07 -1.09 112.91 116.66 3hea h THR 179 Ca 0.22 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.35 3hea h THR 179 Cb 0.37 0.93 -0.02 0.00 -1.74 0.00 0.00 68.15 67.70 3hea h THR 179 CO 0.00 0.00 0.11 0.25 0.37 0.00 0.00 175.52 176.25 3hea h LEU 180 N -0.03 0.76 -0.41 2.58 5.85 -1.16 -1.15 115.31 121.76 3hea h LEU 180 Ca 0.02 -0.24 0.04 0.00 0.84 0.00 0.00 57.88 58.53 3hea h LEU 180 Cb 0.05 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 40.85 3hea h LEU 180 CO -0.04 0.80 0.19 -0.61 -0.34 0.00 0.00 178.44 178.44 3hea h GLN 181 N 0.68 0.38 -0.17 1.25 4.15 -0.84 -0.32 115.11 120.24 3hea h GLN 181 Ca 0.15 -0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.55 3hea h GLN 181 Cb 0.35 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 27.94 3hea h GLN 181 CO 0.00 0.25 0.08 0.82 -1.93 0.00 0.00 178.83 178.06 3hea h ILE 182 N 0.39 1.13 -0.87 2.39 2.04 -1.13 -3.01 117.51 118.45 3hea h ILE 182 Ca 0.18 -0.37 0.08 0.00 1.00 0.00 0.00 64.86 65.75 3hea h ILE 182 Cb 0.10 1.06 -0.06 0.00 -0.74 0.00 0.00 36.82 37.19 3hea h ILE 182 CO -0.14 0.12 0.56 0.00 0.00 0.00 0.00 178.15 178.70 3hea h ALA 183 N 0.95 1.61 0.00 1.87 0.00 -0.73 -2.11 119.26 120.85 3hea h ALA 183 Ca 0.06 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3hea h ALA 183 Cb 0.12 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 3hea h ALA 183 CO -0.01 0.23 -0.03 -0.07 0.00 0.00 0.00 179.25 179.37 3hea h LEU 184 N 0.91 0.00 -1.48 0.00 3.38 -0.94 -2.50 115.31 114.68 3hea h LEU 184 Ca 0.39 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.31 3hea h LEU 184 Cb 0.33 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 3hea h LEU 184 CO -0.16 0.03 -0.27 -0.07 0.09 0.00 0.00 178.44 178.07 3hea h LEU 185 N 0.00 0.00-10.24 1.67 3.38 -1.27 -3.46 115.31 105.39 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 0.52 0.00 0.11 0.00 0.09 0.00 0.00 40.66 41.38 3hea h LEU 185 CO 0.00 0.27 0.36 0.00 0.09 0.00 0.00 178.44 179.15 3hea s ALA 186 N -4.32 2.41 0.33 1.53 0.00 -0.94 -4.53 121.76 116.23 3hea s ALA 186 Ca -0.03 0.44 -0.29 0.00 0.00 0.00 0.00 51.96 52.09 3hea s ALA 186 Cb 0.15 -3.30 -0.10 0.00 0.00 0.00 0.00 23.12 19.86 3hea s ALA 186 CO 0.69 -1.43 1.40 0.45 0.00 0.00 0.00 175.76 176.87 3hea s SER 187 N -2.87 6.61 0.18 0.00 0.15 0.11 -4.95 113.70 112.93 3hea s SER 187 Ca 0.65 2.80 -0.13 0.00 0.70 0.00 0.00 55.95 59.97 3hea s SER 187 Cb -0.19 -2.65 0.08 0.00 -1.71 0.00 0.00 66.02 61.55 3hea s SER 187 CO 0.46 -0.68 1.79 0.25 1.20 0.00 0.00 173.24 176.26 3hea h LEU 188 N 3.66 0.75 -0.18 3.45 5.85 -1.95 -0.87 115.31 126.02 3hea h LEU 188 Ca -0.49 -0.10 0.01 0.00 0.84 0.00 0.00 57.88 58.14 3hea h LEU 188 Cb 1.23 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 42.06 3hea h LEU 188 CO 0.68 0.63 0.10 0.50 -0.34 0.00 0.00 178.44 180.01 3hea h LYS 189 N 0.81 0.21 -0.58 1.25 1.63 -1.95 -1.56 116.57 116.38 3hea h LYS 189 Ca 0.21 -0.01 -0.08 0.00 -0.85 0.00 0.00 60.65 59.92 3hea h LYS 189 Cb 0.05 -0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 31.61 3hea h LYS 189 CO -0.03 0.14 0.05 0.00 -3.45 0.00 0.00 179.45 176.15 3hea h ALA 190 N 1.08 1.00 -0.63 5.00 0.00 -1.85 0.12 119.26 123.97 3hea h ALA 190 Ca 0.07 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 3hea h ALA 190 Cb -0.01 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 3hea h ALA 190 CO -0.03 0.62 0.39 1.15 0.00 0.00 0.00 179.25 181.38 3hea h THR 191 N 0.89 1.18 0.03 0.00 2.02 -0.81 -0.79 112.91 115.43 3hea h THR 191 Ca 0.17 -0.39 -0.19 0.00 0.77 0.00 0.00 66.41 66.77 3hea h THR 191 Cb 0.45 0.30 0.02 0.00 -1.74 0.00 0.00 68.15 67.18 3hea h THR 191 CO 0.02 0.19 -0.77 0.58 0.37 0.00 0.00 175.52 175.90 3hea h VAL 192 N 0.86 1.40 -0.94 3.16 2.07 -1.13 -3.29 116.25 118.38 3hea h VAL 192 Ca 0.23 -2.21 0.03 0.00 0.82 0.00 0.00 66.70 65.57 3hea h VAL 192 Cb -0.04 2.65 -0.05 0.00 -1.52 0.00 0.00 31.29 32.34 3hea h VAL 192 CO -0.04 0.65 0.61 0.44 0.02 0.00 0.00 177.57 179.25 3hea h ASP 193 N -0.02 1.03 -0.42 0.57 3.32 -0.64 -1.89 116.42 118.37 3hea h ASP 193 Ca -0.11 -0.01 0.04 0.00 0.02 0.00 0.00 57.03 56.97 3hea h ASP 193 Cb 1.49 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 40.77 3hea h ASP 193 CO 0.15 0.72 0.28 0.00 -1.72 0.00 0.00 179.24 178.67 3hea h VAL 195 N 0.40 1.21 -0.37 0.00 2.07 -1.41 0.15 116.25 118.31 3hea h VAL 195 Ca 0.18 -0.70 0.02 0.00 0.82 0.00 0.00 66.70 67.01 3hea h VAL 195 Cb 0.20 0.91 -0.03 0.00 -1.52 0.00 0.00 31.29 30.85 3hea h VAL 195 CO -0.04 0.25 0.20 0.74 0.02 0.00 0.00 177.57 178.73 3hea h THR 196 N 0.51 1.00 0.16 2.57 2.02 -1.20 -0.71 112.91 117.27 3hea h THR 196 Ca 0.13 -0.14 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 3hea h THR 196 Cb 0.25 0.57 0.00 0.00 -1.74 0.00 0.00 68.15 67.23 3hea h THR 196 CO -0.00 0.07 -0.08 0.00 0.37 0.00 0.00 175.52 175.88 3hea h ALA 197 N 1.18 -0.21 0.00 6.16 0.00 -0.73 -2.57 119.26 123.08 3hea h ALA 197 Ca 0.15 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 3hea h ALA 197 Cb 0.04 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3hea h ALA 197 CO -0.09 -0.60 -0.21 0.27 0.00 0.00 0.00 179.25 178.62 3hea h PHE 198 N -0.26 0.00 -0.20 0.00 -5.15 -0.94 -1.84 116.94 108.55 3hea h PHE 198 Ca -0.02 0.00 -0.12 0.00 -0.20 0.00 0.00 57.97 57.62 3hea h PHE 198 Cb 0.20 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 36.36 3hea h PHE 198 CO -0.05 0.21 -0.40 0.00 -2.00 0.00 0.00 178.31 176.06 3hea h ALA 199 N 1.79 0.93 0.00 12.09 0.00 -1.05 -3.40 119.26 129.62 3hea h ALA 199 Ca -0.00 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3hea h ALA 199 Cb 0.94 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.62 3hea h ALA 199 CO 0.03 0.63 -0.15 0.39 0.00 0.00 0.00 179.25 180.15 3hea n GLU 200 N -4.03 5.82 -2.66 0.00 1.02 -0.98 -1.82 120.64 117.99 3hea n GLU 200 Ca -0.02 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.71 3hea n GLU 200 Cb 0.50 -0.56 -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 -1.12 4.67 -0.33 2.62 2.01 -0.70 -5.01 115.64 117.78 3hea s THR 201 Ca 0.00 1.96 -0.12 0.00 0.31 0.00 0.00 61.69 63.84 3hea s THR 201 Cb 0.00 -4.25 -0.01 0.00 0.01 0.00 0.00 72.50 68.25 3hea s THR 201 CO 0.00 0.17 0.21 -0.62 -0.69 0.00 0.00 174.62 173.69 3hea s ASP 202 N 0.88 5.87 -0.13 3.53 -1.08 -1.26 -4.51 116.67 119.97 3hea s ASP 202 Ca 0.52 -0.49 0.17 0.00 -0.52 0.00 0.00 52.55 52.24 3hea s ASP 202 Cb -0.23 -2.09 0.70 0.00 -1.46 0.00 0.00 42.92 39.85 3hea s ASP 202 CO 0.29 -0.23 1.62 0.49 0.52 0.00 0.00 175.17 177.85 3hea n PHE 203 N 5.06 1.49 -0.25 -5.34 3.72 0.18 -4.53 117.46 117.79 3hea n PHE 203 Ca -0.13 -0.64 -0.07 0.00 -0.05 0.00 0.00 57.45 56.55 3hea n PHE 203 Cb 0.49 -0.28 0.04 0.00 -0.94 0.00 0.00 39.48 38.80 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 3.80 1.10 -0.52 -1.08 3.08 -1.90 -1.55 114.38 117.31 3hea h ARG 204 Ca 0.00 -0.26 -0.00 0.00 0.07 0.00 0.00 59.98 59.79 3hea h ARG 204 Cb 1.50 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 31.37 3hea h ARG 204 CO 0.26 0.96 0.32 -1.35 -1.07 0.00 0.00 179.97 179.09 3hea h PRO 205 N 1.03 0.69 -0.78 0.04 0.11 -1.92 -2.64 132.00 128.53 3hea h PRO 205 Ca 0.22 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 66.24 3hea h PRO 205 Cb 0.35 -0.15 -0.04 0.00 0.11 0.00 0.00 31.00 31.27 3hea h PRO 205 CO -0.00 0.48 0.35 -0.44 -0.21 0.00 0.00 178.00 178.18 3hea h ASP 206 N 0.71 1.04 -0.86 -2.05 5.19 -1.61 -2.96 116.42 115.87 3hea h ASP 206 Ca 0.19 -0.13 0.09 0.00 -0.62 0.00 0.00 57.03 56.56 3hea h ASP 206 Cb -0.04 -0.27 -0.06 0.00 0.18 0.00 0.00 39.33 39.14 3hea h ASP 206 CO -0.04 0.89 0.56 0.24 -3.12 0.00 0.00 179.24 177.77 3hea h MET 207 N 1.12 0.83 0.00 3.56 2.86 -0.97 -0.99 114.93 121.34 3hea h MET 207 Ca 0.27 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.86 3hea h MET 207 Cb 0.15 -0.19 0.00 0.00 0.06 0.00 0.00 31.60 31.62 3hea h MET 207 CO -0.03 0.55 0.00 0.00 1.06 0.00 0.00 176.91 178.49 3hea h ALA 208 N 1.56 1.00 -0.00 6.32 0.00 -1.57 -2.86 119.26 123.71 3hea h ALA 208 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.31 3hea h ALA 208 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3hea h ALA 208 CO -0.16 0.00 -0.24 1.63 0.00 0.00 0.00 179.25 180.47 3hea n LYS 209 N -3.07 0.38 -2.71 0.00 4.76 -0.39 -4.78 118.16 112.35 3hea n LYS 209 Ca 0.02 -0.17 -0.42 0.00 -2.87 0.00 0.00 58.31 54.87 3hea n LYS 209 Cb 0.39 -1.50 -0.03 0.00 -1.84 0.00 0.00 35.03 32.05 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 -2.74 4.09 -0.36 -0.18 1.01 -1.08 -4.86 121.20 117.10 3hea s ILE 210 Ca 0.20 0.21 0.06 0.00 0.00 0.00 0.00 60.65 61.12 3hea s ILE 210 Cb 0.19 -4.74 0.47 0.00 0.01 0.00 0.00 42.46 38.39 3hea s ILE 210 CO 0.56 -1.50 1.42 -0.90 0.00 0.00 0.00 174.94 174.52 3hea n ASP 211 N 8.31 4.60 -4.37 3.58 5.75 -1.26 -4.51 116.55 128.66 3hea n ASP 211 Ca 0.01 -3.78 -0.19 0.00 -0.01 0.00 0.00 54.79 50.82 3hea n ASP 211 Cb 0.48 -0.55 -0.10 0.00 -1.03 0.00 0.00 41.12 39.92 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 -4.21 1.38 0.27 2.12 -7.23 -1.26 -5.11 120.40 106.35 3hea s VAL 212 Ca 0.51 -2.09 -0.30 0.00 -1.81 0.00 0.00 61.98 58.28 3hea s VAL 212 Cb 0.43 -2.31 -0.12 0.00 0.56 0.00 0.00 36.38 34.94 3hea s VAL 212 CO 0.01 -0.38 1.59 -2.65 -0.31 0.00 0.00 175.10 173.35 3hea n PRO 213 N -0.46 2.61 -4.10 4.82 -0.02 -1.26 -4.80 135.00 131.79 3hea n PRO 213 Ca -0.06 0.93 -0.16 0.00 -2.02 0.00 0.00 63.50 62.19 3hea n PRO 213 Cb 0.63 -2.70 -0.15 0.00 -0.02 0.00 0.00 33.50 31.26 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 0.14 0.36 -0.13 3.45 2.01 -1.26 -0.87 115.64 119.33 3hea s THR 214 Ca 0.66 -0.14 0.03 0.00 0.31 0.00 0.00 61.69 62.55 3hea s THR 214 Cb -0.52 -0.34 0.01 0.00 0.01 0.00 0.00 72.50 71.65 3hea s THR 214 CO 0.47 0.13 -0.22 -0.22 -0.69 0.00 0.00 174.62 174.09 3hea s LEU 215 N 0.22 2.14 -0.19 4.42 2.96 0.33 -0.86 118.68 127.70 3hea s LEU 215 Ca -0.02 -0.59 -0.05 0.00 -0.22 0.00 0.00 54.13 53.25 3hea s LEU 215 Cb -0.06 -1.45 -0.03 0.00 0.50 0.00 0.00 46.19 45.16 3hea s LEU 215 CO -0.00 0.09 0.01 -0.69 -1.32 0.00 0.00 176.35 174.44 3hea s VAL 216 N 0.74 4.09 -0.04 1.68 1.01 0.62 -1.02 120.40 127.49 3hea s VAL 216 Ca -0.09 -0.27 0.06 0.00 0.00 0.00 0.00 61.98 61.68 3hea s VAL 216 Cb -0.16 -2.84 -0.01 0.00 0.00 0.00 0.00 36.38 33.37 3hea s VAL 216 CO -0.00 0.44 -0.21 -0.63 0.00 0.00 0.00 175.10 174.69 3hea s ILE 217 N 0.85 1.72 -0.17 2.22 1.01 -0.29 -0.13 121.20 126.42 3hea s ILE 217 Ca 0.01 -0.89 -0.15 0.00 0.00 0.00 0.00 60.65 59.61 3hea s ILE 217 Cb -0.14 -1.45 0.04 0.00 0.01 0.00 0.00 42.46 40.92 3hea s ILE 217 CO 0.02 0.49 0.44 -2.28 0.00 0.00 0.00 174.94 173.61 3hea s HIS 218 N -0.20 -0.49 0.13 3.97 2.46 -0.80 -0.94 115.29 119.42 3hea s HIS 218 Ca 0.00 1.19 -0.28 0.00 0.47 0.00 0.00 55.06 56.44 3hea s HIS 218 Cb -0.11 0.17 -0.07 0.00 -0.13 0.00 0.00 32.58 32.44 3hea s HIS 218 CO 0.02 -0.23 0.87 0.20 -2.47 0.00 0.00 174.74 173.12 3hea s GLY 219 N 0.24 2.95 -0.04 1.59 0.00 -1.26 -1.74 107.32 109.07 3hea s GLY 219 Ca -0.00 0.46 0.11 0.00 0.00 0.00 0.00 44.72 45.29 3hea s GLY 219 CO 0.00 1.19 1.26 2.09 0.00 0.00 0.00 173.10 177.65 3hea n ASP 220 N 2.31 2.55 -0.73 1.64 5.68 -1.09 -2.74 116.55 124.18 3hea n ASP 220 Ca -0.01 -2.14 0.06 0.00 -0.50 0.00 0.00 54.79 52.20 3hea n ASP 220 Cb 0.49 -0.36 0.18 0.00 -1.14 0.00 0.00 41.12 40.29 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 0.91 2.99 3.60 6.12 0.00 -0.48 -4.69 105.19 113.64 3hea n GLY 221 Ca 0.14 -0.52 -0.43 0.00 0.00 0.00 0.00 46.02 45.21 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 -1.16 5.53 0.04 1.61 -1.08 -1.01 -4.55 116.67 116.04 3hea s ASP 222 Ca 0.28 1.84 0.27 0.00 -0.52 0.00 0.00 52.55 54.41 3hea s ASP 222 Cb 0.17 -2.51 0.85 0.00 -1.46 0.00 0.00 42.92 39.97 3hea s ASP 222 CO 0.15 -1.91 1.68 0.00 0.52 0.00 0.00 175.17 175.61 3hea n GLN 223 N 8.69 0.07 -0.12 4.34 6.02 -1.26 -4.29 117.38 130.83 3hea n GLN 223 Ca 0.29 0.04 -0.23 0.00 -0.01 0.00 0.00 57.00 57.09 3hea n GLN 223 Cb 0.45 -1.56 -0.08 0.00 1.02 0.00 0.00 30.24 30.07 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 -1.68 1.47 -4.03 5.09 2.08 -1.26 -4.88 119.36 116.15 3hea n ILE 224 Ca 0.06 -0.23 -0.32 0.00 0.56 0.00 0.00 62.75 62.83 3hea n ILE 224 Cb 0.36 -1.99 -0.15 0.00 -0.75 0.00 0.00 39.64 37.12 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 -2.59 2.30 -0.07 1.39 1.01 -1.26 -5.07 120.40 116.10 3hea s VAL 225 Ca -0.35 -2.09 -0.29 0.00 0.00 0.00 0.00 61.98 59.25 3hea s VAL 225 Cb 0.11 -2.58 -0.06 0.00 0.00 0.00 0.00 36.38 33.85 3hea s VAL 225 CO 0.45 -0.41 1.84 -2.16 0.00 0.00 0.00 175.10 174.83 3hea s PRO 226 N 0.98 3.95 0.25 2.72 0.04 -1.26 -4.78 135.00 136.90 3hea s PRO 226 Ca 0.04 2.23 -0.03 0.00 0.04 0.00 0.00 61.00 63.28 3hea s PRO 226 Cb -0.19 -4.11 0.49 0.00 0.04 0.00 0.00 34.50 30.73 3hea s PRO 226 CO -0.07 -1.15 1.73 0.35 0.04 0.00 0.00 177.00 177.91 3hea h PHE 227 N 10.92 0.56 -0.65 0.56 3.04 -1.82 -2.66 116.94 126.89 3hea h PHE 227 Ca -0.42 0.04 0.07 0.00 3.98 0.00 0.00 57.97 61.63 3hea h PHE 227 Cb 1.20 -0.13 -0.04 0.00 2.56 0.00 0.00 35.95 39.55 3hea h PHE 227 CO 0.92 0.07 0.43 0.93 -2.02 0.00 0.00 178.31 178.64 3hea h GLU 228 N 0.46 0.61 -0.21 1.11 4.39 -1.95 -1.48 114.58 117.51 3hea h GLU 228 Ca 0.44 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 60.10 3hea h GLU 228 Cb 0.67 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.19 3hea h GLU 228 CO -0.41 0.40 0.00 0.25 -1.16 0.00 0.00 179.01 178.09 3hea n THR 229 N -4.48 0.55 0.00 1.13 -2.24 -1.05 -4.35 114.28 103.84 3hea n THR 229 Ca 0.10 -0.77 0.00 0.00 -2.27 0.00 0.00 64.05 61.10 3hea n THR 229 Cb 0.25 0.84 0.00 0.00 -2.10 0.00 0.00 70.33 69.32 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 0.62 0.00 -0.26 4.28 -2.24 -1.02 -4.63 114.28 111.03 3hea n THR 230 Ca 0.10 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 61.93 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 1.14 0.86 3.38 0.00 -1.59 0.18 103.07 107.04 3hea h GLY 231 Ca 0.00 -0.16 0.04 0.00 0.00 0.00 0.00 47.33 47.20 3hea h GLY 231 CO 0.00 -0.07 0.55 1.70 0.00 0.00 0.00 176.54 178.72 3hea h LYS 232 N 0.47 1.02 0.02 4.80 3.64 -1.53 -2.05 116.57 122.95 3hea h LYS 232 Ca 0.41 -0.06 -0.23 0.00 -1.27 0.00 0.00 60.65 59.50 3hea h LYS 232 Cb 0.59 -0.23 0.02 0.00 -0.41 0.00 0.00 32.23 32.20 3hea h LYS 232 CO -0.38 0.68 -0.90 0.28 -2.27 0.00 0.00 179.45 176.86 3hea h VAL 233 N 1.05 1.34 -0.98 2.00 2.07 -1.27 -3.21 116.25 117.26 3hea h VAL 233 Ca 0.34 -2.23 0.09 0.00 0.82 0.00 0.00 66.70 65.73 3hea h VAL 233 Cb 0.03 2.54 -0.07 0.00 -1.52 0.00 0.00 31.29 32.26 3hea h VAL 233 CO -0.12 0.67 0.62 0.00 0.02 0.00 0.00 177.57 178.76 3hea h ALA 234 N 0.34 1.41 0.00 1.67 0.00 -0.54 -0.31 119.26 121.83 3hea h ALA 234 Ca -0.12 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 3hea h ALA 234 Cb 1.59 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 3hea h ALA 234 CO 0.18 0.32 -0.25 0.00 0.00 0.00 0.00 179.25 179.49 3hea h ALA 235 N 1.49 1.43 0.15 0.00 0.00 -1.41 -1.83 119.26 119.09 3hea h ALA 235 Ca 0.45 -0.23 -0.31 0.00 0.00 0.00 0.00 54.91 54.82 3hea h ALA 235 Cb 0.32 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.07 3hea h ALA 235 CO -0.22 0.32 -1.49 0.93 0.00 0.00 0.00 179.25 178.79 3hea h GLU 236 N 0.00 0.32 0.00 0.00 4.39 -1.25 -3.36 114.58 114.69 3hea h GLU 236 Ca -0.00 -0.55 -0.02 0.00 0.34 0.00 0.00 59.36 59.12 3hea h GLU 236 Cb 0.49 0.21 -0.00 0.00 -0.10 0.00 0.00 28.75 29.35 3hea h GLU 236 CO 0.03 1.22 -0.10 -0.07 -1.16 0.00 0.00 179.01 178.93 3hea h LEU 237 N 0.09 0.00 -8.91 1.33 3.38 -0.85 -3.43 115.31 106.92 3hea h LEU 237 Ca -0.23 0.00 -0.63 0.00 0.09 0.00 0.00 57.88 57.10 3hea h LEU 237 Cb 2.04 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 42.65 3hea h LEU 237 CO 0.19 0.10 -0.24 -0.63 0.09 0.00 0.00 178.44 177.96 3hea s ILE 238 N -3.30 5.17 0.07 1.22 1.01 -0.71 -4.52 121.20 120.14 3hea s ILE 238 Ca 0.05 0.50 -0.30 0.00 0.00 0.00 0.00 60.65 60.90 3hea s ILE 238 Cb 0.07 -3.72 -0.09 0.00 0.01 0.00 0.00 42.46 38.73 3hea s ILE 238 CO 0.65 0.12 1.81 -0.75 0.00 0.00 0.00 174.94 176.77 3hea s LYS 239 N 2.07 4.16 0.00 2.79 2.20 -1.26 -2.06 119.74 127.64 3hea s LYS 239 Ca 0.15 2.49 0.00 0.00 -0.36 0.00 0.00 55.97 58.25 3hea s LYS 239 Cb -0.16 -3.81 0.00 0.00 -1.51 0.00 0.00 37.83 32.35 3hea s LYS 239 CO 0.10 -0.85 0.00 0.41 -0.36 0.00 0.00 175.35 174.65 3hea n GLY 240 N 4.26 1.20 3.77 5.54 0.00 -1.26 -4.87 105.19 113.82 3hea n GLY 240 Ca 0.18 0.00 -0.40 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 -3.16 3.34 -0.02 4.61 0.00 -0.87 -4.64 121.76 121.01 3hea s ALA 241 Ca 0.00 1.48 -0.02 0.00 0.00 0.00 0.00 51.96 53.42 3hea s ALA 241 Cb 0.00 -3.59 -0.04 0.00 0.00 0.00 0.00 23.12 19.49 3hea s ALA 241 CO 0.00 -1.13 0.13 -2.00 0.00 0.00 0.00 175.76 172.77 3hea s GLU 242 N -2.33 3.28 -0.11 0.00 2.12 -0.04 -4.95 118.70 116.67 3hea s GLU 242 Ca 0.58 -0.37 0.04 0.00 0.36 0.00 0.00 54.97 55.58 3hea s GLU 242 Cb -0.44 -3.00 0.00 0.00 0.26 0.00 0.00 34.13 30.95 3hea s GLU 242 CO 0.58 0.68 -0.23 -1.17 -0.54 0.00 0.00 175.26 174.57 3hea s LEU 243 N -1.74 2.08 -0.12 2.70 2.96 -1.26 -0.27 118.68 123.03 3hea s LEU 243 Ca 0.24 -0.56 0.03 0.00 -0.22 0.00 0.00 54.13 53.62 3hea s LEU 243 Cb -0.12 -1.40 0.00 0.00 0.50 0.00 0.00 46.19 45.17 3hea s LEU 243 CO 0.15 0.14 -0.23 -0.54 -1.32 0.00 0.00 176.35 174.55 3hea s LYS 244 N 0.46 3.06 -0.25 1.98 1.02 0.82 -4.97 119.74 121.86 3hea s LYS 244 Ca -0.16 -0.86 -0.05 0.00 0.02 0.00 0.00 55.97 54.92 3hea s LYS 244 Cb -0.17 -2.37 -0.01 0.00 -0.52 0.00 0.00 37.83 34.76 3hea s LYS 244 CO 0.06 0.11 0.01 0.08 -0.92 0.00 0.00 175.35 174.69 3hea s VAL 245 N 0.51 3.66 -0.32 3.17 1.01 -1.26 -1.91 120.40 125.25 3hea s VAL 245 Ca -0.14 -0.52 -0.26 0.00 0.00 0.00 0.00 61.98 61.06 3hea s VAL 245 Cb -0.17 -2.74 0.01 0.00 0.00 0.00 0.00 36.38 33.48 3hea s VAL 245 CO 0.05 0.31 0.92 -0.31 0.00 0.00 0.00 175.10 176.07 3hea s TYR 246 N 1.50 3.17 0.05 5.22 1.51 -0.71 -4.96 117.35 123.13 3hea s TYR 246 Ca 0.05 0.96 -0.30 0.00 -1.01 0.00 0.00 57.07 56.76 3hea s TYR 246 Cb -0.15 -3.46 -0.08 0.00 -0.11 0.00 0.00 41.96 38.15 3hea s TYR 246 CO -0.01 -0.68 1.67 0.21 -1.11 0.00 0.00 175.55 175.63 3hea s LYS 247 N 3.30 4.19 0.00 -0.62 2.20 -1.26 -2.17 119.74 125.39 3hea s LYS 247 Ca 0.38 2.32 0.00 0.00 -0.36 0.00 0.00 55.97 58.32 3hea s LYS 247 Cb -0.13 -3.67 0.00 0.00 -1.51 0.00 0.00 37.83 32.51 3hea s LYS 247 CO 0.14 -0.76 0.00 -0.25 -0.36 0.00 0.00 175.35 174.13 3hea n ASP 248 N 5.88 -3.93 -4.76 1.43 8.00 -1.26 -4.90 116.55 117.01 3hea n ASP 248 Ca 0.16 0.00 -0.38 0.00 0.71 0.00 0.00 54.79 55.28 3hea n ASP 248 Cb 0.41 -2.63 0.01 0.00 -0.02 0.00 0.00 41.12 38.89 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 -1.32 2.98 0.86 2.24 0.00 -0.92 -4.24 121.76 121.36 3hea s ALA 249 Ca 0.00 1.14 -0.04 0.00 0.00 0.00 0.00 51.96 53.06 3hea s ALA 249 Cb 0.00 -3.47 0.07 0.00 0.00 0.00 0.00 23.12 19.72 3hea s ALA 249 CO 0.00 -0.95 0.43 -0.35 0.00 0.00 0.00 175.76 174.90 3hea n PRO 250 N -0.55 -0.23 -0.01 0.00 -0.04 -1.26 -1.39 135.00 131.53 3hea n PRO 250 Ca 0.08 -0.78 -0.12 0.00 -0.04 0.00 0.00 63.50 62.63 3hea n PRO 250 Cb 0.46 -0.41 -0.08 0.00 -0.04 0.00 0.00 33.50 33.43 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 -1.05 0.08 0.00 0.54 -0.00 -1.77 -3.30 115.15 109.66 3hea h HIS 251 Ca -0.14 -0.01 -0.25 0.00 -0.00 0.00 0.00 60.37 59.97 3hea h HIS 251 Cb 0.42 -0.02 -0.05 0.00 -0.00 0.00 0.00 27.41 27.75 3hea h HIS 251 CO 0.00 0.35 0.31 0.41 -0.00 0.00 0.00 177.93 179.00 3hea n GLY 252 N -0.29 3.05 0.07 5.26 0.00 0.48 -4.58 105.19 109.17 3hea n GLY 252 Ca -0.07 -1.16 0.12 0.00 0.00 0.00 0.00 46.02 44.91 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 2.72 0.52 0.29 1.61 1.16 -1.24 -2.22 117.46 120.29 3hea n PHE 253 Ca 0.45 0.17 0.15 0.00 -1.87 0.00 0.00 57.45 56.35 3hea n PHE 253 Cb 0.75 -0.77 0.88 0.00 -1.61 0.00 0.00 39.48 38.73 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 2.62 1.40 0.00 1.98 0.00 -1.87 0.32 119.26 123.72 3hea h ALA 254 Ca 0.00 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 3hea h ALA 254 Cb 0.55 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 3hea h ALA 254 CO 0.00 0.05 -0.81 0.28 0.00 0.00 0.00 179.25 178.77 3hea h VAL 255 N 0.00 0.38 0.00 0.00 2.07 -1.83 -3.28 116.25 113.59 3hea h VAL 255 Ca -0.00 -1.49 -0.08 0.00 0.82 0.00 0.00 66.70 65.95 3hea h VAL 255 Cb 0.12 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 3hea h VAL 255 CO 0.01 0.13 -0.40 0.71 0.02 0.00 0.00 177.57 178.04 3hea h THR 256 N -1.00 1.10 -0.91 2.57 1.35 -1.45 -3.17 112.91 111.39 3hea h THR 256 Ca -0.14 -1.45 -0.49 0.00 -0.55 0.00 0.00 66.41 63.78 3hea h THR 256 Cb 0.83 1.82 -0.42 0.00 -1.73 0.00 0.00 68.15 68.65 3hea h THR 256 CO -0.09 0.39 -0.89 1.41 -0.25 0.00 0.00 175.52 176.09 3hea n HIS 257 N -3.80 2.50 0.12 4.73 -0.00 0.11 -4.93 115.22 113.95 3hea n HIS 257 Ca -0.01 -2.49 -0.13 0.00 -0.00 0.00 0.00 57.72 55.09 3hea n HIS 257 Cb 0.46 -0.26 -0.06 0.00 -0.00 0.00 0.00 29.99 30.13 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 2.44 -0.30 -0.61 -1.41 0.00 -1.58 -1.21 119.26 116.57 3hea h ALA 258 Ca 0.22 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 3hea h ALA 258 Cb 1.30 0.24 -0.03 0.00 0.00 0.00 0.00 17.79 19.30 3hea h ALA 258 CO 0.65 -0.70 0.33 0.37 0.00 0.00 0.00 179.25 179.91 3hea h GLN 259 N -0.34 0.85 -0.47 0.00 4.15 -1.90 0.14 115.11 117.55 3hea h GLN 259 Ca 0.01 -0.10 0.01 0.00 0.77 0.00 0.00 58.65 59.33 3hea h GLN 259 Cb 0.34 -0.17 -0.02 0.00 0.21 0.00 0.00 27.48 27.84 3hea h GLN 259 CO -0.06 0.65 0.31 0.37 -1.93 0.00 0.00 178.83 178.17 3hea h GLN 260 N 0.83 0.61 -0.31 1.69 4.15 -1.93 -1.49 115.11 118.67 3hea h GLN 260 Ca 0.21 -0.04 -0.00 0.00 0.77 0.00 0.00 58.65 59.59 3hea h GLN 260 Cb 0.05 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 27.59 3hea h GLN 260 CO -0.03 0.41 0.18 1.25 -1.93 0.00 0.00 178.83 178.70 3hea h LEU 261 N 0.63 0.38 -0.39 -2.39 5.85 -0.85 -1.33 115.31 117.20 3hea h LEU 261 Ca 0.17 -0.07 0.07 0.00 0.84 0.00 0.00 57.88 58.90 3hea h LEU 261 Cb -0.07 -0.10 -0.06 0.00 0.37 0.00 0.00 40.66 40.81 3hea h LEU 261 CO -0.04 0.33 0.02 0.78 -0.34 0.00 0.00 178.44 179.20 3hea h ASN 262 N 0.39 -0.11 -0.49 1.25 2.35 -0.68 -0.06 115.58 118.24 3hea h ASN 262 Ca 0.11 0.08 -0.09 0.00 -0.55 0.00 0.00 56.30 55.85 3hea h ASN 262 Cb 0.03 0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.52 3hea h ASN 262 CO -0.02 -0.02 -0.02 -0.33 -1.65 0.00 0.00 177.43 175.39 3hea h GLU 263 N 0.13 0.93 -0.52 0.81 5.08 -1.12 -1.86 114.58 118.03 3hea h GLU 263 Ca 0.19 -0.28 -0.11 0.00 -1.00 0.00 0.00 59.36 58.16 3hea h GLU 263 Cb 0.26 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 3hea h GLU 263 CO -0.30 0.93 -0.10 -0.44 -1.00 0.00 0.00 179.01 178.10 3hea h ASP 264 N 0.85 0.97 -0.43 1.42 3.32 -0.65 -0.83 116.42 121.07 3hea h ASP 264 Ca 0.15 -0.31 -0.02 0.00 0.02 0.00 0.00 57.03 56.88 3hea h ASP 264 Cb 0.53 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.79 3hea h ASP 264 CO 0.03 1.08 0.21 -0.07 -1.72 0.00 0.00 179.24 178.77 3hea h LEU 265 N 0.87 0.56 -0.31 1.55 3.38 -0.87 -1.46 115.31 119.03 3hea h LEU 265 Ca 0.14 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3hea h LEU 265 Cb 0.65 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 3hea h LEU 265 CO 0.04 0.53 0.20 0.25 0.09 0.00 0.00 178.44 179.56 3hea h LEU 266 N 0.55 0.36 -0.81 1.67 5.85 -1.14 -1.22 115.31 120.58 3hea h LEU 266 Ca 0.15 -0.02 0.06 0.00 0.84 0.00 0.00 57.88 58.90 3hea h LEU 266 Cb 0.12 -0.09 -0.06 0.00 0.37 0.00 0.00 40.66 41.00 3hea h LEU 266 CO -0.02 0.28 0.50 0.00 -0.34 0.00 0.00 178.44 178.86 3hea h ALA 267 N 1.10 1.10 -0.09 1.25 0.00 -1.05 -1.07 119.26 120.50 3hea h ALA 267 Ca 0.11 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 3hea h ALA 267 Cb -0.03 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.54 3hea h ALA 267 CO -0.02 0.24 0.04 0.35 0.00 0.00 0.00 179.25 179.85 3hea h PHE 268 N 0.92 0.13 -0.50 0.00 3.57 -0.84 -1.27 116.94 118.94 3hea h PHE 268 Ca 0.35 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.88 3hea h PHE 268 Cb 0.14 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 38.82 3hea h PHE 268 CO -0.04 0.23 0.34 -0.07 -2.23 0.00 0.00 178.31 176.53 3hea h LEU 269 N -0.01 0.48 -0.94 0.59 3.38 -0.87 -1.95 115.31 115.99 3hea h LEU 269 Ca 0.03 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3hea h LEU 269 Cb 0.15 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.79 3hea h LEU 269 CO -0.00 0.33 -0.02 0.29 0.09 0.00 0.00 178.44 179.12 3hea n LYS 270 N -4.47 1.60 0.00 1.13 5.02 -0.44 -5.11 118.16 115.90 3hea n LYS 270 Ca 0.06 -0.94 0.00 0.00 -2.02 0.00 0.00 58.31 55.41 3hea n LYS 270 Cb 0.16 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 33.69 3hea n LYS 270 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77