#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3non s SER 2 N 0.00 5.16 0.24 1.61 1.04 -1.26 -4.95 113.70 115.54 3non s SER 2 Ca 0.00 0.30 0.20 0.00 0.48 0.00 0.00 55.95 56.94 3non s SER 2 Cb 0.00 -1.13 0.95 0.00 0.10 0.00 0.00 66.02 65.93 3non s SER 2 CO 0.00 -1.29 1.62 0.00 0.98 0.00 0.00 173.24 174.55 3non n HIS 3 N -2.60 0.65 -0.27 5.02 -0.00 -1.26 -1.46 115.22 115.31 3non n HIS 3 Ca 0.07 0.29 0.11 0.00 -0.00 0.00 0.00 57.72 58.19 3non n HIS 3 Cb 0.60 -0.97 0.31 0.00 -0.00 0.00 0.00 29.99 29.93 3non n HIS 3 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.34 175.01 3non n MET 4 N -2.13 2.85 -1.74 -1.40 0.00 -1.26 -5.01 117.12 108.43 3non n MET 4 Ca 0.01 -2.54 -0.38 0.00 0.00 0.00 0.00 57.70 54.79 3non n MET 4 Cb 0.14 -1.62 0.05 0.00 0.00 0.00 0.00 33.22 31.79 3non n MET 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3non n ALA 5 N 1.41 1.52 -1.87 3.04 0.00 -0.53 -4.93 120.51 119.14 3non n ALA 5 Ca 0.23 0.10 -0.42 0.00 0.00 0.00 0.00 53.44 53.35 3non n ALA 5 Cb 0.65 -2.36 -0.03 0.00 0.00 0.00 0.00 19.45 17.71 3non n ALA 5 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3non s VAL 6 N -1.31 2.73 -0.38 0.00 1.01 -0.31 -4.74 120.40 117.41 3non s VAL 6 Ca 0.75 0.34 -0.17 0.00 0.00 0.00 0.00 61.98 62.89 3non s VAL 6 Cb -0.41 -3.22 0.00 0.00 0.00 0.00 0.00 36.38 32.76 3non s VAL 6 CO 0.47 0.01 0.45 -1.10 0.00 0.00 0.00 175.10 174.92 3non s GLN 7 N 2.15 3.40 -0.15 2.72 -1.52 -1.26 -0.51 119.66 124.48 3non s GLN 7 Ca 0.75 -0.47 0.01 0.00 -1.95 0.00 0.00 55.36 53.69 3non s GLN 7 Cb -0.43 -3.87 -0.00 0.00 -0.22 0.00 0.00 33.01 28.48 3non s GLN 7 CO 0.33 -0.70 -0.16 0.42 -0.25 0.00 0.00 175.29 174.93 3non s ILE 8 N 2.21 2.66 -0.07 1.08 1.01 0.12 -0.37 121.20 127.84 3non s ILE 8 Ca 0.14 -0.78 0.03 0.00 0.00 0.00 0.00 60.65 60.05 3non s ILE 8 Cb -0.16 -2.11 0.01 0.00 0.01 0.00 0.00 42.46 40.20 3non s ILE 8 CO 0.13 0.52 -0.15 -0.83 0.00 0.00 0.00 174.94 174.61 3non s GLY 9 N 0.71 0.92 -0.13 6.18 0.00 -0.00 -0.19 107.32 114.80 3non s GLY 9 Ca -0.07 -0.57 -0.05 0.00 0.00 0.00 0.00 44.72 44.03 3non s GLY 9 CO 0.01 -0.07 0.04 -1.36 0.00 0.00 0.00 173.10 171.72 3non s PHE 10 N 0.46 3.25 -0.12 1.90 0.08 -0.15 -0.52 117.98 122.87 3non s PHE 10 Ca -0.13 0.17 -0.29 0.00 0.12 0.00 0.00 56.93 56.79 3non s PHE 10 Cb -0.15 -1.92 -0.03 0.00 -0.57 0.00 0.00 43.02 40.34 3non s PHE 10 CO 0.04 0.37 1.43 -0.51 -0.10 0.00 0.00 175.22 176.45 3non s LEU 11 N -0.39 4.24 -0.23 -0.37 2.01 -0.86 -0.73 118.68 122.34 3non s LEU 11 Ca 0.09 1.92 -0.01 0.00 0.01 0.00 0.00 54.13 56.13 3non s LEU 11 Cb -0.12 -3.54 0.02 0.00 0.01 0.00 0.00 46.19 42.56 3non s LEU 11 CO 0.02 -0.83 -0.09 -0.22 1.01 0.00 0.00 176.35 176.23 3non s LEU 12 N 3.74 2.92 0.06 1.79 2.96 -0.28 -4.35 118.68 125.52 3non s LEU 12 Ca 0.63 -0.76 0.02 0.00 -0.22 0.00 0.00 54.13 53.80 3non s LEU 12 Cb -0.27 -1.63 -0.03 0.00 0.50 0.00 0.00 46.19 44.76 3non s LEU 12 CO 0.21 -0.08 -0.07 0.72 -1.32 0.00 0.00 176.35 175.81 3non s PHE 13 N 1.34 0.71 0.22 5.38 -0.12 -1.26 -4.35 117.98 119.90 3non s PHE 13 Ca 0.02 -0.68 -0.32 0.00 -0.05 0.00 0.00 56.93 55.91 3non s PHE 13 Cb -0.16 -0.43 -0.14 0.00 -0.63 0.00 0.00 43.02 41.67 3non s PHE 13 CO -0.06 -0.13 1.35 -2.30 -0.05 0.00 0.00 175.22 174.03 3non n PRO 14 N 0.88 1.81 -1.57 1.99 -0.02 -1.26 -1.76 135.00 135.07 3non n PRO 14 Ca -0.19 0.65 -0.09 0.00 -2.02 0.00 0.00 63.50 61.84 3non n PRO 14 Cb 0.57 -2.26 -0.03 0.00 -0.02 0.00 0.00 33.50 31.76 3non n PRO 14 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3non n GLU 15 N 1.96 -0.69 -1.73 -0.52 -0.58 -0.24 -4.11 120.64 114.74 3non n GLU 15 Ca 0.12 0.71 -0.37 0.00 -0.42 0.00 0.00 57.16 57.20 3non n GLU 15 Cb 0.30 -4.65 0.06 0.00 -0.57 0.00 0.00 31.44 26.58 3non n GLU 15 CO 0.00 0.00 0.00 1.55 -0.48 0.00 0.00 177.13 178.20 3non n VAL 16 N -3.14 4.76 -2.63 2.62 3.14 -0.72 -1.51 118.33 120.84 3non n VAL 16 Ca -0.10 -0.50 -0.42 0.00 -2.96 0.00 0.00 64.34 60.36 3non n VAL 16 Cb 0.40 -1.53 -0.03 0.00 -1.06 0.00 0.00 33.84 31.62 3non n VAL 16 CO 0.00 0.00 0.00 -1.58 -6.46 0.00 0.00 176.83 168.79 3non s GLN 17 N -3.28 3.35 0.35 1.45 2.00 0.20 -0.40 119.66 123.33 3non s GLN 17 Ca 0.81 -0.08 0.03 0.00 -2.00 0.00 0.00 55.36 54.11 3non s GLN 17 Cb -0.39 -4.09 0.65 0.00 0.80 0.00 0.00 33.01 29.98 3non s GLN 17 CO 0.42 -1.81 2.01 -0.56 -0.50 0.00 0.00 175.29 174.85 3non h GLN 18 N 9.67 0.82 0.00 1.67 -0.00 -1.92 -1.52 115.11 123.81 3non h GLN 18 Ca -0.26 -0.05 -0.03 0.00 -0.00 0.00 0.00 58.65 58.31 3non h GLN 18 Cb 1.06 -0.18 -0.00 0.00 -0.00 0.00 0.00 27.48 28.35 3non h GLN 18 CO 1.20 0.54 -0.14 1.25 -0.00 0.00 0.00 178.83 181.68 3non h LEU 19 N 0.84 0.00 -1.83 0.06 5.85 -1.95 0.12 115.31 118.40 3non h LEU 19 Ca 0.23 0.00 0.09 0.00 0.84 0.00 0.00 57.88 59.04 3non h LEU 19 Cb -0.08 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 40.92 3non h LEU 19 CO -0.05 0.14 0.30 0.44 -0.34 0.00 0.00 178.44 178.92 3non h ASP 20 N 0.00 0.18 0.00 1.25 5.19 -1.50 -1.60 116.42 119.93 3non h ASP 20 Ca -0.00 0.00 -0.24 0.00 -0.62 0.00 0.00 57.03 56.17 3non h ASP 20 Cb 0.37 -0.03 -0.04 0.00 0.18 0.00 0.00 39.33 39.81 3non h ASP 20 CO 0.02 0.11 -1.50 -0.11 -3.12 0.00 0.00 179.24 174.64 3non n LEU 21 N -4.46 1.89 0.18 1.55 0.00 -0.24 -4.45 117.00 111.47 3non n LEU 21 Ca 0.06 0.42 0.04 0.00 0.00 0.00 0.00 56.01 56.54 3non n LEU 21 Cb 0.36 -0.89 0.32 0.00 0.00 0.00 0.00 43.42 43.22 3non n LEU 21 CO 0.35 0.19 0.66 0.71 0.00 0.00 0.00 177.39 179.30 3non h THR 22 N -1.00 1.03 0.75 1.96 1.35 -0.83 0.18 112.91 116.35 3non h THR 22 Ca -0.37 -1.57 -0.04 0.00 -0.55 0.00 0.00 66.41 63.89 3non h THR 22 Cb 1.24 1.92 0.01 0.00 -1.73 0.00 0.00 68.15 69.59 3non h THR 22 CO -0.22 0.40 -0.36 1.23 -0.25 0.00 0.00 175.52 176.32 3non h GLY 23 N 1.85 -1.05 0.70 5.82 0.00 -1.52 -2.19 103.07 106.68 3non h GLY 23 Ca -0.00 0.39 0.10 0.00 0.00 0.00 0.00 47.33 47.82 3non h GLY 23 CO 0.05 -0.38 0.57 -2.55 0.00 0.00 0.00 176.54 174.23 3non h PRO 24 N -1.24 0.80 -0.22 4.80 0.11 -1.74 -2.52 132.00 132.00 3non h PRO 24 Ca -0.10 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.96 3non h PRO 24 Cb 0.78 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 31.70 3non h PRO 24 CO 0.17 0.53 0.13 1.25 -0.21 0.00 0.00 178.00 179.87 3non h HIS 25 N 0.83 0.28 0.00 0.65 2.76 -0.84 0.50 115.15 119.33 3non h HIS 25 Ca 0.41 0.00 -0.09 0.00 -2.20 0.00 0.00 60.37 58.49 3non h HIS 25 Cb 0.47 -0.09 -0.01 0.00 1.55 0.00 0.00 27.41 29.32 3non h HIS 25 CO -0.00 0.22 -0.42 0.22 -1.30 0.00 0.00 177.93 176.64 3non h ASP 26 N 0.27 0.00 0.36 3.26 3.58 -1.11 0.10 116.42 122.88 3non h ASP 26 Ca 0.08 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.51 3non h ASP 26 Cb 0.01 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.07 3non h ASP 26 CO -0.01 0.42 -0.17 0.58 -2.88 0.00 0.00 179.24 177.18 3non h VAL 27 N 0.00 0.61 -0.16 2.25 2.07 -1.08 -3.24 116.25 116.70 3non h VAL 27 Ca -0.00 -0.49 -0.13 0.00 0.82 0.00 0.00 66.70 66.89 3non h VAL 27 Cb 0.78 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 31.39 3non h VAL 27 CO 0.06 0.09 -0.46 -0.07 0.02 0.00 0.00 177.57 177.20 3non h LEU 28 N -0.78 0.45 -0.48 2.57 3.38 -0.72 -2.34 115.31 117.37 3non h LEU 28 Ca -0.05 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.71 3non h LEU 28 Cb 0.52 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.14 3non h LEU 28 CO 0.08 0.84 0.00 0.00 0.09 0.00 0.00 178.44 179.46 3non n ALA 29 N -2.49 1.48 0.98 1.53 0.00 0.34 -1.79 120.51 120.55 3non n ALA 29 Ca -0.02 0.05 0.14 0.00 0.00 0.00 0.00 53.44 53.61 3non n ALA 29 Cb 0.54 -1.28 0.59 0.00 0.00 0.00 0.00 19.45 19.30 3non n ALA 29 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3non n SER 30 N -1.90 0.07 -4.89 0.00 7.64 -0.88 -4.92 113.62 108.73 3non n SER 30 Ca 0.02 0.46 -0.29 0.00 1.01 0.00 0.00 58.87 60.07 3non n SER 30 Cb 0.15 -0.47 0.01 0.00 -1.01 0.00 0.00 64.21 62.89 3non n SER 30 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3non s LEU 31 N -3.08 3.41 0.17 -3.43 1.43 -0.74 -5.00 118.68 111.44 3non s LEU 31 Ca 0.14 1.09 -0.31 0.00 -1.03 0.00 0.00 54.13 54.02 3non s LEU 31 Cb 0.19 -4.06 -0.09 0.00 0.03 0.00 0.00 46.19 42.26 3non s LEU 31 CO 0.54 -0.77 1.43 -2.84 0.23 0.00 0.00 176.35 174.94 3non s PRO 32 N -4.96 4.30 -1.00 1.29 0.02 -1.26 -4.08 135.00 129.31 3non s PRO 32 Ca 0.51 2.19 -0.15 0.00 0.02 0.00 0.00 61.00 63.57 3non s PRO 32 Cb -0.11 -3.18 0.01 0.00 0.02 0.00 0.00 34.50 31.25 3non s PRO 32 CO 0.49 -0.44 0.67 -3.47 -0.33 0.00 0.00 177.00 173.92 3non n ASP 33 N 3.31 -4.94 -4.54 2.53 2.03 -1.26 -4.80 116.55 108.88 3non n ASP 33 Ca 0.10 -1.02 -0.25 0.00 0.52 0.00 0.00 54.79 54.14 3non n ASP 33 Cb 0.41 -2.25 -0.09 0.00 -0.72 0.00 0.00 41.12 38.47 3non n ASP 33 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 3non s VAL 34 N -3.25 2.91 -0.08 5.18 -7.23 -1.26 -1.16 120.40 115.52 3non s VAL 34 Ca 0.25 -2.03 0.00 0.00 -1.81 0.00 0.00 61.98 58.39 3non s VAL 34 Cb -0.12 -2.50 0.02 0.00 0.56 0.00 0.00 36.38 34.34 3non s VAL 34 CO 0.91 -0.28 -0.06 -1.58 -0.31 0.00 0.00 175.10 173.77 3non s GLN 35 N -3.26 1.20 -0.19 4.82 0.74 0.33 -2.22 119.66 121.09 3non s GLN 35 Ca 0.28 -0.18 -0.02 0.00 0.05 0.00 0.00 55.36 55.49 3non s GLN 35 Cb -0.07 -1.24 -0.00 0.00 1.10 0.00 0.00 33.01 32.80 3non s GLN 35 CO 0.16 -0.17 -0.11 0.08 -0.55 0.00 0.00 175.29 174.71 3non s VAL 36 N 1.34 2.95 -0.01 1.34 1.01 -1.26 -0.71 120.40 125.07 3non s VAL 36 Ca -0.03 -0.65 -0.02 0.00 0.00 0.00 0.00 61.98 61.28 3non s VAL 36 Cb -0.14 -2.30 -0.04 0.00 0.00 0.00 0.00 36.38 33.91 3non s VAL 36 CO -0.03 0.48 0.13 -1.00 0.00 0.00 0.00 175.10 174.68 3non s HIS 37 N 1.15 3.42 -0.24 5.22 0.09 0.73 -4.99 115.29 120.67 3non s HIS 37 Ca 0.01 0.28 0.00 0.00 -0.00 0.00 0.00 55.06 55.35 3non s HIS 37 Cb -0.14 -1.78 0.03 0.00 -0.00 0.00 0.00 32.58 30.69 3non s HIS 37 CO -0.03 0.60 -0.10 -0.51 -0.00 0.00 0.00 174.74 174.70 3non s LEU 38 N -1.84 3.07 -0.15 0.89 1.43 -1.26 -0.98 118.68 119.84 3non s LEU 38 Ca 0.25 -0.98 -0.02 0.00 -1.03 0.00 0.00 54.13 52.35 3non s LEU 38 Cb -0.12 -1.60 -0.02 0.00 0.03 0.00 0.00 46.19 44.48 3non s LEU 38 CO 0.16 -0.12 -0.09 -0.63 0.23 0.00 0.00 176.35 175.90 3non s ILE 39 N 1.26 3.30 0.00 -0.59 1.01 0.09 -0.03 121.20 126.23 3non s ILE 39 Ca -0.01 -0.56 0.00 0.00 0.00 0.00 0.00 60.65 60.08 3non s ILE 39 Cb -0.17 -2.42 0.00 0.00 0.01 0.00 0.00 42.46 39.88 3non s ILE 39 CO -0.06 0.50 0.00 1.87 0.00 0.00 0.00 174.94 177.25 3non n TRP 40 N 3.76 -0.25 0.11 3.97 -0.00 -0.86 -1.13 117.44 123.04 3non n TRP 40 Ca -0.18 0.00 0.05 0.00 -0.00 0.00 0.00 57.50 57.37 3non n TRP 40 Cb 0.52 0.00 0.50 0.00 -0.00 0.00 0.00 31.31 32.34 3non n TRP 40 CO 0.00 0.00 0.00 0.87 -0.00 0.00 0.00 177.69 178.56 3non h LYS 41 N 0.00 0.32 -2.96 5.87 1.57 -1.88 -1.55 116.57 117.93 3non h LYS 41 Ca 0.00 -0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 58.70 3non h LYS 41 Cb 0.00 -0.07 -0.15 0.00 0.08 0.00 0.00 32.23 32.09 3non h LYS 41 CO 0.00 0.22 0.02 -1.21 -0.57 0.00 0.00 179.45 177.92 3non s GLU 42 N -5.29 1.06 0.65 3.15 0.41 -1.26 -4.44 118.70 112.99 3non s GLU 42 Ca -0.07 -0.38 -0.17 0.00 -0.41 0.00 0.00 54.97 53.94 3non s GLU 42 Cb 0.17 0.48 -0.00 0.00 -1.78 0.00 0.00 34.13 33.00 3non s GLU 42 CO 0.71 -0.40 1.22 -2.14 -0.49 0.00 0.00 175.26 174.16 3non s PRO 43 N -2.92 2.60 0.00 0.39 0.02 -1.26 -4.66 135.00 129.17 3non s PRO 43 Ca -0.03 1.83 0.00 0.00 0.02 0.00 0.00 61.00 62.82 3non s PRO 43 Cb -0.00 -1.88 0.00 0.00 0.02 0.00 0.00 34.50 32.64 3non s PRO 43 CO -0.05 -1.50 0.00 0.41 -0.33 0.00 0.00 177.00 175.53 3non n GLY 44 N 0.49 0.95 3.76 0.52 0.00 -0.64 -4.92 105.19 105.36 3non n GLY 44 Ca 0.14 -2.03 -0.41 0.00 0.00 0.00 0.00 46.02 43.72 3non n GLY 44 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3non s PRO 45 N -1.13 4.43 -0.06 1.61 0.04 -1.26 -0.77 135.00 137.85 3non s PRO 45 Ca 0.00 2.10 -0.00 0.00 0.04 0.00 0.00 61.00 63.14 3non s PRO 45 Cb 0.00 -3.11 0.03 0.00 0.04 0.00 0.00 34.50 31.45 3non s PRO 45 CO 0.00 -0.10 -0.02 0.08 0.04 0.00 0.00 177.00 176.99 3non s VAL 46 N -0.98 0.46 -0.24 -0.36 1.01 0.23 -4.89 120.40 115.63 3non s VAL 46 Ca 0.49 -0.00 -0.16 0.00 0.00 0.00 0.00 61.98 62.30 3non s VAL 46 Cb -0.38 -0.55 -0.03 0.00 0.00 0.00 0.00 36.38 35.42 3non s VAL 46 CO 0.48 0.24 0.44 -0.69 0.00 0.00 0.00 175.10 175.57 3non s VAL 47 N 1.45 5.14 0.89 2.92 1.01 -1.26 -0.85 120.40 129.70 3non s VAL 47 Ca -0.03 0.74 -0.12 0.00 0.00 0.00 0.00 61.98 62.57 3non s VAL 47 Cb -0.13 -3.76 0.13 0.00 0.00 0.00 0.00 36.38 32.61 3non s VAL 47 CO -0.03 0.16 1.11 0.00 0.00 0.00 0.00 175.10 176.34 3non s ALA 48 N 1.90 1.70 0.56 5.51 0.00 -0.31 -1.08 121.76 130.03 3non s ALA 48 Ca 0.19 -0.29 0.24 0.00 0.00 0.00 0.00 51.96 52.10 3non s ALA 48 Cb -0.15 -3.11 1.57 0.00 0.00 0.00 0.00 23.12 21.43 3non s ALA 48 CO 0.09 -2.24 2.19 0.66 0.00 0.00 0.00 175.76 176.46 3non h SER 49 N -1.47 0.00 0.93 0.00 4.64 -0.89 0.19 113.55 116.96 3non h SER 49 Ca -0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 3non h SER 49 Cb 1.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 3non h SER 49 CO 0.59 0.00 -0.08 -1.54 -0.87 0.00 0.00 176.83 174.93 3non n SER 50 N -4.14 0.10 0.00 4.97 3.41 -1.26 -4.90 113.62 111.79 3non n SER 50 Ca -0.02 0.39 0.00 0.00 -0.26 0.00 0.00 58.87 58.98 3non n SER 50 Cb 0.13 -0.39 0.00 0.00 -0.26 0.00 0.00 64.21 63.69 3non n SER 50 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3non n GLY 51 N 1.49 1.15 3.73 5.00 0.00 0.06 -5.06 105.19 111.57 3non n GLY 51 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 3non n GLY 51 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3non s LEU 52 N 0.00 4.38 -0.20 0.99 0.20 -1.26 -4.69 118.68 118.10 3non s LEU 52 Ca 0.00 2.64 -0.15 0.00 0.69 0.00 0.00 54.13 57.31 3non s LEU 52 Cb 0.00 -3.61 -0.04 0.00 -0.43 0.00 0.00 46.19 42.11 3non s LEU 52 CO 0.00 -0.76 0.34 -0.69 -0.29 0.00 0.00 176.35 174.96 3non s VAL 53 N 0.49 5.24 0.44 1.68 1.01 -1.26 -1.16 120.40 126.84 3non s VAL 53 Ca 0.64 0.60 0.07 0.00 0.00 0.00 0.00 61.98 63.29 3non s VAL 53 Cb -0.43 -3.68 -0.01 0.00 0.00 0.00 0.00 36.38 32.27 3non s VAL 53 CO 0.38 0.29 0.39 -0.76 0.00 0.00 0.00 175.10 175.40 3non s LEU 54 N 1.13 3.29 -0.16 3.92 1.43 -0.03 -4.95 118.68 123.32 3non s LEU 54 Ca 0.17 -0.82 -0.01 0.00 -1.03 0.00 0.00 54.13 52.44 3non s LEU 54 Cb -0.14 -1.91 0.04 0.00 0.03 0.00 0.00 46.19 44.21 3non s LEU 54 CO 0.07 -0.73 -0.04 -1.58 0.23 0.00 0.00 176.35 174.29 3non s GLN 55 N -4.16 1.27 0.26 1.70 0.74 -1.26 -0.60 119.66 117.60 3non s GLN 55 Ca 0.47 -0.43 -0.30 0.00 0.05 0.00 0.00 55.36 55.15 3non s GLN 55 Cb -0.03 -1.89 -0.10 0.00 1.10 0.00 0.00 33.01 32.09 3non s GLN 55 CO 0.27 -0.43 1.31 0.00 -0.55 0.00 0.00 175.29 175.89 3non s ALA 56 N 1.69 3.52 -0.53 1.58 0.00 0.05 -4.80 121.76 123.28 3non s ALA 56 Ca 0.01 1.18 0.22 0.00 0.00 0.00 0.00 51.96 53.37 3non s ALA 56 Cb -0.15 -3.48 -0.21 0.00 0.00 0.00 0.00 23.12 19.28 3non s ALA 56 CO -0.07 -0.57 0.77 0.25 0.00 0.00 0.00 175.76 176.13 3non n THR 57 N 1.88 0.05 -3.62 0.00 -2.24 0.95 -1.62 114.28 109.68 3non n THR 57 Ca 0.04 -0.25 -0.15 0.00 -2.27 0.00 0.00 64.05 61.42 3non n THR 57 Cb 0.42 0.42 -0.07 0.00 -2.10 0.00 0.00 70.33 69.01 3non n THR 57 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 3non s THR 58 N -3.25 0.03 0.79 4.28 -1.32 -1.05 -4.80 115.64 110.33 3non s THR 58 Ca 0.01 -0.26 -0.11 0.00 -1.21 0.00 0.00 61.69 60.11 3non s THR 58 Cb 0.15 -0.88 0.07 0.00 -1.51 0.00 0.00 72.50 70.32 3non s THR 58 CO 0.87 -0.15 1.09 -0.94 -2.21 0.00 0.00 174.62 173.28 3non s SER 59 N -1.57 4.48 0.18 8.08 1.04 -1.25 -2.02 113.70 122.63 3non s SER 59 Ca -0.09 1.43 -0.19 0.00 0.48 0.00 0.00 55.95 57.58 3non s SER 59 Cb -0.02 -2.18 0.13 0.00 0.10 0.00 0.00 66.02 64.05 3non s SER 59 CO 0.03 -2.00 1.62 -0.26 0.98 0.00 0.00 173.24 173.62 3non h PHE 60 N -1.10 -0.59 -0.19 5.02 0.04 -1.49 -2.14 116.94 116.49 3non h PHE 60 Ca -0.47 0.05 -0.05 0.00 2.80 0.00 0.00 57.97 60.31 3non h PHE 60 Cb 1.26 0.33 -0.01 0.00 2.20 0.00 0.00 35.95 39.73 3non h PHE 60 CO 0.49 -0.31 -0.11 0.00 -0.60 0.00 0.00 178.31 177.78 3non h ALA 61 N 1.17 1.46 -0.02 2.45 0.00 -1.90 -2.72 119.26 119.70 3non h ALA 61 Ca 0.22 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3non h ALA 61 Cb 0.47 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3non h ALA 61 CO -0.56 0.38 -0.24 -0.25 0.00 0.00 0.00 179.25 178.59 3non n ASP 62 N -4.27 1.83 -4.73 0.00 8.00 -1.07 -4.92 116.55 111.41 3non n ASP 62 Ca -0.00 -1.43 -0.42 0.00 0.71 0.00 0.00 54.79 53.66 3non n ASP 62 Cb 0.27 0.20 -0.03 0.00 -0.02 0.00 0.00 41.12 41.54 3non n ASP 62 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3non s PRO 64 N 0.42 0.55 0.23 0.00 0.02 -1.26 -4.93 135.00 130.03 3non s PRO 64 Ca 0.61 1.23 -0.32 0.00 0.02 0.00 0.00 61.00 62.54 3non s PRO 64 Cb -0.38 -1.70 -0.13 0.00 0.02 0.00 0.00 34.50 32.32 3non s PRO 64 CO 0.35 -2.84 1.60 -2.30 -0.33 0.00 0.00 177.00 173.48 3non n PRO 65 N -4.35 2.48 -3.81 5.54 -0.02 -1.26 -4.96 135.00 128.61 3non n PRO 65 Ca 0.08 0.89 -0.37 0.00 -2.02 0.00 0.00 63.50 62.08 3non n PRO 65 Cb 0.53 -2.66 -0.06 0.00 -0.02 0.00 0.00 33.50 31.29 3non n PRO 65 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3non s LEU 66 N 0.45 4.39 0.11 2.45 1.43 -1.26 -4.82 118.68 121.43 3non s LEU 66 Ca 0.72 0.54 -0.03 0.00 -1.03 0.00 0.00 54.13 54.32 3non s LEU 66 Cb -0.57 -2.15 -0.16 0.00 0.03 0.00 0.00 46.19 43.34 3non s LEU 66 CO 0.41 0.38 1.25 0.44 0.23 0.00 0.00 176.35 179.06 3non h ASP 67 N 5.04 0.41 -3.41 2.29 3.32 -1.07 -3.36 116.42 119.64 3non h ASP 67 Ca -0.54 -0.38 -0.44 0.00 0.02 0.00 0.00 57.03 55.69 3non h ASP 67 Cb 1.22 -0.13 -0.34 0.00 0.22 0.00 0.00 39.33 40.30 3non h ASP 67 CO 0.60 1.23 -0.78 -0.69 -1.72 0.00 0.00 179.24 177.87 3non s VAL 68 N -2.98 0.69 -0.07 -1.35 1.01 -0.77 -0.36 120.40 116.58 3non s VAL 68 Ca -0.04 -0.19 0.01 0.00 0.00 0.00 0.00 61.98 61.76 3non s VAL 68 Cb 0.08 -0.70 -0.03 0.00 0.00 0.00 0.00 36.38 35.74 3non s VAL 68 CO 0.86 0.27 -0.10 -0.51 0.00 0.00 0.00 175.10 175.63 3non s ILE 69 N 1.00 3.46 -0.05 2.22 2.07 -0.95 -0.82 121.20 128.13 3non s ILE 69 Ca -0.09 -0.57 -0.00 0.00 -1.41 0.00 0.00 60.65 58.58 3non s ILE 69 Cb -0.14 -2.40 0.03 0.00 0.13 0.00 0.00 42.46 40.07 3non s ILE 69 CO -0.00 0.59 -0.00 0.00 -1.91 0.00 0.00 174.94 173.61 3non s ILE 71 N 1.51 4.77 0.91 0.00 -1.09 -0.43 -2.03 121.20 124.83 3non s ILE 71 Ca -0.02 -0.48 -0.13 0.00 -2.23 0.00 0.00 60.65 57.78 3non s ILE 71 Cb -0.13 -3.49 0.14 0.00 -1.58 0.00 0.00 42.46 37.40 3non s ILE 71 CO -0.03 -0.03 1.19 -2.16 -1.23 0.00 0.00 174.94 172.68 3non s PRO 72 N 1.63 1.13 0.00 2.79 0.04 -1.26 -1.48 135.00 137.85 3non s PRO 72 Ca 0.04 0.06 0.00 0.00 0.04 0.00 0.00 61.00 61.15 3non s PRO 72 Cb -0.18 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.51 3non s PRO 72 CO 0.07 -2.16 0.00 0.41 0.04 0.00 0.00 177.00 175.36 3non n GLY 73 N -2.80 4.31 0.00 0.56 0.00 -1.10 -3.49 105.19 102.67 3non n GLY 73 Ca 0.09 -2.07 0.00 0.00 0.00 0.00 0.00 46.02 44.05 3non n GLY 73 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3non n GLY 74 N 5.00 1.18 0.34 -0.02 0.00 -1.26 -0.62 105.19 109.81 3non n GLY 74 Ca 0.00 -2.15 0.16 0.00 0.00 0.00 0.00 46.02 44.03 3non n GLY 74 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3non h THR 75 N 1.81 0.56 0.00 2.61 2.02 -1.82 -1.40 112.91 116.70 3non h THR 75 Ca 0.00 -0.20 0.00 0.00 0.77 0.00 0.00 66.41 66.98 3non h THR 75 Cb 0.00 -0.08 0.00 0.00 -1.74 0.00 0.00 68.15 66.33 3non h THR 75 CO 0.00 0.11 0.00 0.61 0.37 0.00 0.00 175.52 176.61 3non n GLY 76 N -1.32 -0.79 0.33 2.16 0.00 -0.57 -2.93 105.19 102.07 3non n GLY 76 Ca 0.26 -0.01 0.03 0.00 0.00 0.00 0.00 46.02 46.30 3non n GLY 76 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3non h VAL 77 N 0.00 1.13 -0.36 1.61 2.07 -1.53 -2.68 116.25 116.48 3non h VAL 77 Ca 0.00 -0.25 0.05 0.00 0.82 0.00 0.00 66.70 67.32 3non h VAL 77 Cb 0.13 0.34 -0.04 0.00 -1.52 0.00 0.00 31.29 30.20 3non h VAL 77 CO 0.00 0.13 0.11 1.23 0.02 0.00 0.00 177.57 179.06 3non h GLY 78 N 0.72 0.45 1.02 2.17 0.00 -1.76 -0.12 103.07 105.54 3non h GLY 78 Ca 0.20 -0.06 -0.08 0.00 0.00 0.00 0.00 47.33 47.40 3non h GLY 78 CO -0.05 0.01 0.03 0.00 0.00 0.00 0.00 176.54 176.54 3non h ALA 79 N 1.25 0.71 -0.12 3.60 0.00 -1.78 -3.10 119.26 119.82 3non h ALA 79 Ca 0.17 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 3non h ALA 79 Cb 0.16 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3non h ALA 79 CO -0.19 0.50 -0.08 1.25 0.00 0.00 0.00 179.25 180.72 3non h LEU 80 N 0.79 0.16 -0.65 0.00 5.85 -0.97 -1.61 115.31 118.88 3non h LEU 80 Ca 0.15 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.85 3non h LEU 80 Cb 0.48 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.47 3non h LEU 80 CO 0.02 0.27 0.00 0.23 -0.34 0.00 0.00 178.44 178.62 3non n MET 81 N -4.35 0.12 -0.92 1.25 2.81 -0.15 -1.89 117.12 113.99 3non n MET 81 Ca -0.01 0.45 0.05 0.00 -1.81 0.00 0.00 57.70 56.38 3non n MET 81 Cb 0.21 -1.77 0.15 0.00 -0.71 0.00 0.00 33.22 31.10 3non n MET 81 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 3non n GLU 82 N -2.00 1.08 -3.46 0.03 1.02 -0.62 -4.81 120.64 111.88 3non n GLU 82 Ca 0.01 -2.89 -0.43 0.00 -0.02 0.00 0.00 57.16 53.84 3non n GLU 82 Cb 0.14 -1.09 -0.07 0.00 -0.02 0.00 0.00 31.44 30.40 3non n GLU 82 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3non s ASP 83 N -2.84 5.94 0.48 1.62 -1.08 -0.80 -4.96 116.67 115.04 3non s ASP 83 Ca 0.37 -2.00 0.17 0.00 -0.52 0.00 0.00 52.55 50.57 3non s ASP 83 Cb 0.38 -2.09 1.17 0.00 -1.46 0.00 0.00 42.92 40.92 3non s ASP 83 CO -0.10 -0.72 2.06 -0.65 0.52 0.00 0.00 175.17 176.28 3non h PRO 84 N 8.46 0.00 -0.12 4.34 0.11 -1.93 -1.06 132.00 141.80 3non h PRO 84 Ca -0.20 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.89 3non h PRO 84 Cb 1.07 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 3non h PRO 84 CO 0.90 0.12 -0.01 0.37 -0.21 0.00 0.00 178.00 179.17 3non h GLN 85 N 0.00 0.22 -0.40 1.05 4.15 -1.96 -0.74 115.11 117.43 3non h GLN 85 Ca -0.00 -0.08 -0.04 0.00 0.77 0.00 0.00 58.65 59.30 3non h GLN 85 Cb 0.22 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 27.87 3non h GLN 85 CO 0.02 0.48 0.09 0.00 -1.93 0.00 0.00 178.83 177.49 3non h ALA 86 N 0.73 0.53 -0.67 3.38 0.00 -1.80 -2.20 119.26 119.23 3non h ALA 86 Ca 0.03 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.68 3non h ALA 86 Cb 0.39 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 3non h ALA 86 CO 0.01 0.22 0.15 -0.07 0.00 0.00 0.00 179.25 179.56 3non h LEU 87 N 0.51 1.02 -0.58 0.00 3.38 -1.18 -1.29 115.31 117.19 3non h LEU 87 Ca 0.13 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 3non h LEU 87 Cb 0.33 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 3non h LEU 87 CO 0.00 0.99 0.30 0.00 0.09 0.00 0.00 178.44 179.82 3non h ALA 88 N 1.13 0.74 -0.42 1.53 0.00 -1.04 -0.28 119.26 120.93 3non h ALA 88 Ca 0.21 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 55.02 3non h ALA 88 Cb 0.38 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 3non h ALA 88 CO 0.00 0.28 0.25 0.35 0.00 0.00 0.00 179.25 180.14 3non h PHE 89 N 0.78 0.47 -0.49 0.00 3.57 -1.04 -0.33 116.94 119.89 3non h PHE 89 Ca 0.20 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.71 3non h PHE 89 Cb 0.08 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 38.65 3non h PHE 89 CO -0.01 0.28 0.30 0.82 -2.23 0.00 0.00 178.31 177.47 3non h ILE 90 N 0.51 1.15 -0.58 1.41 2.04 -0.92 -0.73 117.51 120.39 3non h ILE 90 Ca 0.16 -0.33 -0.00 0.00 1.00 0.00 0.00 64.86 65.69 3non h ILE 90 Cb -0.00 0.49 -0.03 0.00 -0.74 0.00 0.00 36.82 36.54 3non h ILE 90 CO -0.07 0.15 0.36 0.03 0.00 0.00 0.00 178.15 178.62 3non h ARG 91 N 0.66 0.78 -0.24 2.37 3.08 -0.72 0.40 114.38 120.70 3non h ARG 91 Ca 0.18 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.16 3non h ARG 91 Cb -0.01 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 29.86 3non h ARG 91 CO -0.03 0.55 0.15 1.96 -1.07 0.00 0.00 179.97 181.53 3non h GLN 92 N 0.78 0.33 -0.41 0.04 4.20 -0.61 -2.32 115.11 117.13 3non h GLN 92 Ca 0.21 -0.03 -0.14 0.00 0.06 0.00 0.00 58.65 58.75 3non h GLN 92 Cb -0.04 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.66 3non h GLN 92 CO -0.04 0.24 -0.30 1.96 -0.67 0.00 0.00 178.83 180.02 3non h GLN 93 N 0.31 0.92 0.00 1.46 1.08 -0.98 -2.93 115.11 114.98 3non h GLN 93 Ca 0.09 -0.45 -0.02 0.00 -1.45 0.00 0.00 58.65 56.82 3non h GLN 93 Cb -0.00 -0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.42 3non h GLN 93 CO -0.02 1.10 -0.10 0.00 -0.95 0.00 0.00 178.83 178.87 3non h ALA 94 N 0.80 1.44 0.00 3.87 0.00 -0.77 -0.98 119.26 123.62 3non h ALA 94 Ca 0.08 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3non h ALA 94 Cb 0.89 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 3non h ALA 94 CO 0.08 0.12 -0.11 0.00 0.00 0.00 0.00 179.25 179.34 3non h ALA 95 N 1.90 1.56 0.00 0.00 0.00 -1.22 -3.25 119.26 118.26 3non h ALA 95 Ca -0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3non h ALA 95 Cb 0.23 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3non h ALA 95 CO 0.01 0.14 0.00 0.54 0.00 0.00 0.00 179.25 179.94 3non n ARG 96 N -4.04 3.33 -2.26 0.00 1.74 -0.92 -5.07 116.66 109.44 3non n ARG 96 Ca -0.02 -0.15 -0.36 0.00 -0.77 0.00 0.00 57.85 56.54 3non n ARG 96 Cb 0.20 -0.60 -0.00 0.00 -1.02 0.00 0.00 32.46 31.04 3non n ARG 96 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3non s ALA 97 N -0.52 2.82 0.18 7.54 0.00 -0.42 -4.93 121.76 126.44 3non s ALA 97 Ca 0.00 0.87 -0.04 0.00 0.00 0.00 0.00 51.96 52.79 3non s ALA 97 Cb 0.00 -3.37 0.09 0.00 0.00 0.00 0.00 23.12 19.84 3non s ALA 97 CO 0.00 -0.71 1.48 -0.09 0.00 0.00 0.00 175.76 176.44 3non h ARG 98 N 1.59 0.56 -4.75 0.00 2.43 -0.91 -3.43 114.38 109.87 3non h ARG 98 Ca -0.50 -0.37 -0.42 0.00 -0.81 0.00 0.00 59.98 57.88 3non h ARG 98 Cb 1.25 0.05 -0.30 0.00 -0.42 0.00 0.00 29.97 30.56 3non h ARG 98 CO 0.58 0.98 -0.79 0.71 -1.51 0.00 0.00 179.97 179.95 3non s TYR 99 N -3.95 0.93 -0.24 2.20 2.02 -0.72 -4.78 117.35 112.82 3non s TYR 99 Ca -0.07 -0.20 -0.03 0.00 -0.37 0.00 0.00 57.07 56.40 3non s TYR 99 Cb 0.11 -0.63 0.01 0.00 -0.40 0.00 0.00 41.96 41.05 3non s TYR 99 CO 0.85 -0.05 -0.05 0.08 -1.57 0.00 0.00 175.55 174.80 3non s VAL 100 N -0.06 3.14 0.11 0.71 1.01 -0.31 -2.23 120.40 122.76 3non s VAL 100 Ca 0.01 -0.75 -0.02 0.00 0.00 0.00 0.00 61.98 61.22 3non s VAL 100 Cb -0.06 -2.50 -0.04 0.00 0.00 0.00 0.00 36.38 33.78 3non s VAL 100 CO -0.00 0.31 0.05 0.42 0.00 0.00 0.00 175.10 175.89 3non s THR 101 N 1.41 0.13 0.20 3.92 -4.23 -0.28 -1.64 115.64 115.15 3non s THR 101 Ca 0.03 -1.83 -0.22 0.00 -1.18 0.00 0.00 61.69 58.49 3non s THR 101 Cb -0.15 -1.87 0.05 0.00 1.34 0.00 0.00 72.50 71.87 3non s THR 101 CO -0.04 -0.60 0.64 -0.94 -0.54 0.00 0.00 174.62 173.14 3non s SER 102 N -3.00 -0.47 -0.14 3.99 1.04 -1.02 -1.32 113.70 112.78 3non s SER 102 Ca 0.19 -0.19 0.16 0.00 0.48 0.00 0.00 55.95 56.58 3non s SER 102 Cb 0.07 0.64 0.41 0.00 0.10 0.00 0.00 66.02 67.24 3non s SER 102 CO -0.02 -1.09 1.20 0.52 0.98 0.00 0.00 173.24 174.83 3non n VAL 103 N -0.40 1.51 0.00 5.02 0.31 -0.55 -0.87 118.33 123.35 3non n VAL 103 Ca -0.13 -2.49 0.00 0.00 -0.01 0.00 0.00 64.34 61.71 3non n VAL 103 Cb 0.63 0.14 0.00 0.00 -0.91 0.00 0.00 33.84 33.70 3non n VAL 103 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 3non n THR 105 N -0.64 0.00 0.06 2.52 -2.24 -1.26 -2.71 114.28 110.01 3non n THR 105 Ca 0.15 0.00 0.18 0.00 -2.27 0.00 0.00 64.05 62.11 3non n THR 105 Cb 0.82 -0.31 0.69 0.00 -2.10 0.00 0.00 70.33 69.43 3non n THR 105 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 3non h GLY 106 N 0.00 0.00 2.00 3.38 0.00 -1.71 -0.82 103.07 105.92 3non h GLY 106 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 3non h GLY 106 CO 0.00 0.00 -0.20 1.48 0.00 0.00 0.00 176.54 177.82 3non h SER 107 N 0.00 0.00 0.36 0.19 4.64 -1.80 -1.59 113.55 115.36 3non h SER 107 Ca 0.20 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.45 3non h SER 107 Cb 0.81 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.89 3non h SER 107 CO -0.00 0.20 -0.33 -0.07 -0.87 0.00 0.00 176.83 175.75 3non h LEU 108 N 0.00 0.00 -0.15 5.97 3.38 -1.49 0.26 115.31 123.29 3non h LEU 108 Ca -0.00 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 3non h LEU 108 Cb 0.46 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.21 3non h LEU 108 CO 0.03 0.33 -0.20 0.58 0.09 0.00 0.00 178.44 179.27 3non h VAL 109 N 0.00 1.36 -0.89 1.22 2.07 -1.35 -0.07 116.25 118.58 3non h VAL 109 Ca -0.00 -1.41 0.13 0.00 0.82 0.00 0.00 66.70 66.23 3non h VAL 109 Cb 0.61 1.94 -0.09 0.00 -1.52 0.00 0.00 31.29 32.23 3non h VAL 109 CO 0.04 0.42 0.51 -0.07 0.02 0.00 0.00 177.57 178.50 3non h LEU 110 N 0.01 0.70 -0.31 2.57 3.38 -1.06 -0.46 115.31 120.14 3non h LEU 110 Ca 0.02 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 3non h LEU 110 Cb 0.76 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 3non h LEU 110 CO 0.05 0.35 0.14 1.23 0.09 0.00 0.00 178.44 180.30 3non h GLY 111 N 0.79 0.48 2.00 0.83 0.00 -0.74 -1.77 103.07 104.65 3non h GLY 111 Ca 0.46 -0.25 -0.02 0.00 0.00 0.00 0.00 47.33 47.53 3non h GLY 111 CO -0.30 0.23 -0.09 0.00 0.00 0.00 0.00 176.54 176.38 3non h ALA 112 N 0.99 1.84 0.00 3.60 0.00 -0.41 -0.73 119.26 124.55 3non h ALA 112 Ca 0.10 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3non h ALA 112 Cb 0.14 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3non h ALA 112 CO -0.01 0.11 0.00 0.00 0.00 0.00 0.00 179.25 179.35 3non n ALA 113 N -2.52 2.39 -0.92 0.00 0.00 -0.24 -4.90 120.51 114.33 3non n ALA 113 Ca -0.03 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.27 3non n ALA 113 Cb 0.17 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.18 3non n ALA 113 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3non n GLY 114 N 0.89 0.50 0.93 0.00 0.00 -0.28 -4.85 105.19 102.38 3non n GLY 114 Ca 0.15 -0.90 0.12 0.00 0.00 0.00 0.00 46.02 45.39 3non n GLY 114 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3non n LEU 115 N 0.00 2.95 -0.41 0.99 4.77 -0.70 -4.39 117.00 120.20 3non n LEU 115 Ca 0.00 -1.00 0.06 0.00 -0.03 0.00 0.00 56.01 55.04 3non n LEU 115 Cb 0.04 0.00 0.13 0.00 -2.33 0.00 0.00 43.42 41.26 3non n LEU 115 CO 0.00 0.49 0.60 0.18 -1.33 0.00 0.00 177.39 177.33 3non n LEU 116 N 1.30 2.77 -4.64 2.23 4.77 -1.26 -4.91 117.00 117.27 3non n LEU 116 Ca 0.14 -2.44 -0.42 0.00 -0.03 0.00 0.00 56.01 53.25 3non n LEU 116 Cb 0.59 -0.28 -0.03 0.00 -2.33 0.00 0.00 43.42 41.37 3non n LEU 116 CO 0.15 0.65 1.58 -1.10 -1.33 0.00 0.00 177.39 177.34 3non s GLN 117 N -1.78 3.84 -1.45 3.23 -1.52 -1.26 -1.64 119.66 119.07 3non s GLN 117 Ca 0.23 2.22 0.00 0.00 -1.95 0.00 0.00 55.36 55.86 3non s GLN 117 Cb 0.17 -4.16 0.00 0.00 -0.22 0.00 0.00 33.01 28.80 3non s GLN 117 CO 0.07 -1.28 0.00 0.41 -0.25 0.00 0.00 175.29 174.24 3non n GLY 118 N 4.80 1.07 3.56 3.09 0.00 0.57 -4.96 105.19 113.33 3non n GLY 118 Ca 0.22 -0.33 -0.34 0.00 0.00 0.00 0.00 46.02 45.57 3non n GLY 118 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3non s LYS 119 N -3.58 2.76 0.16 1.61 -0.14 -0.65 -4.82 119.74 115.08 3non s LYS 119 Ca 0.00 -0.57 -0.30 0.00 -1.36 0.00 0.00 55.97 53.74 3non s LYS 119 Cb 0.00 -2.57 -0.08 0.00 -1.68 0.00 0.00 37.83 33.50 3non s LYS 119 CO 0.00 0.64 1.28 1.03 -0.76 0.00 0.00 175.35 177.54 3non s ARG 120 N -0.75 4.41 0.12 1.68 0.52 -1.26 -0.10 118.95 123.57 3non s ARG 120 Ca 0.11 1.98 -0.22 0.00 -0.52 0.00 0.00 55.73 57.09 3non s ARG 120 Cb -0.11 -3.23 0.06 0.00 0.52 0.00 0.00 34.95 32.18 3non s ARG 120 CO 0.01 -0.25 0.54 0.00 0.02 0.00 0.00 175.30 175.62 3non s ALA 121 N 0.37 -1.38 0.44 2.13 0.00 -0.68 -4.56 121.76 118.08 3non s ALA 121 Ca 0.57 0.43 0.03 0.00 0.00 0.00 0.00 51.96 52.99 3non s ALA 121 Cb -0.35 0.68 -0.03 0.00 0.00 0.00 0.00 23.12 23.42 3non s ALA 121 CO 0.35 -0.66 0.05 -0.08 0.00 0.00 0.00 175.76 175.42 3non s THR 122 N -3.34 1.13 0.18 0.00 -1.32 -1.26 -1.08 115.64 109.95 3non s THR 122 Ca -0.01 -2.00 -0.08 0.00 -1.21 0.00 0.00 61.69 58.39 3non s THR 122 Cb -0.00 -2.43 0.03 0.00 -1.51 0.00 0.00 72.50 68.59 3non s THR 122 CO -0.09 0.00 0.43 1.07 -2.21 0.00 0.00 174.62 173.82 3non n THR 123 N -1.04 0.00 -1.70 5.08 5.66 -1.26 -4.71 114.28 116.31 3non n THR 123 Ca -0.11 -0.47 -0.43 0.00 -3.05 0.00 0.00 64.05 59.99 3non n THR 123 Cb 0.66 0.49 -0.02 0.00 -1.55 0.00 0.00 70.33 69.92 3non n THR 123 CO 0.00 0.00 0.00 1.57 -3.05 0.00 0.00 175.07 173.59 3non n HIS 124 N -0.29 2.35 -0.17 1.09 -0.00 -1.26 -3.79 115.22 113.14 3non n HIS 124 Ca -0.04 0.45 0.18 0.00 -0.00 0.00 0.00 57.72 58.31 3non n HIS 124 Cb 0.30 -2.47 0.54 0.00 -0.00 0.00 0.00 29.99 28.36 3non n HIS 124 CO 0.00 0.00 0.00 0.11 -0.00 0.00 0.00 176.34 176.45 3non h TRP 125 N 3.57 0.43 0.00 1.57 5.08 -1.96 -1.25 115.95 123.39 3non h TRP 125 Ca -0.46 0.01 0.00 0.00 1.08 0.00 0.00 58.89 59.52 3non h TRP 125 Cb 1.27 -0.13 0.00 0.00 -3.00 0.00 0.00 29.16 27.30 3non h TRP 125 CO 0.54 0.15 0.00 0.00 -1.28 0.00 0.00 178.44 177.85 3non h ALA 126 N 1.64 1.00 -0.12 0.11 0.00 -2.00 -3.16 119.26 116.73 3non h ALA 126 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.30 3non h ALA 126 Cb 0.99 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.78 3non h ALA 126 CO -0.12 0.00 0.00 0.66 0.00 0.00 0.00 179.25 179.79 3non n TYR 127 N -2.85 0.15 0.07 0.00 4.01 -0.50 -4.80 117.16 113.23 3non n TYR 127 Ca 0.02 -0.32 0.08 0.00 -0.16 0.00 0.00 57.90 57.53 3non n TYR 127 Cb 0.37 -0.02 0.54 0.00 -0.31 0.00 0.00 39.34 39.91 3non n TYR 127 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 3non h HIS 128 N 1.09 0.28 0.00 -0.72 2.76 -1.44 -0.30 115.15 116.83 3non h HIS 128 Ca 0.00 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.18 3non h HIS 128 Cb 0.48 -0.09 0.00 0.00 1.55 0.00 0.00 27.41 29.35 3non h HIS 128 CO 0.08 0.16 0.00 -0.85 -1.30 0.00 0.00 177.93 176.02 3non n GLU 129 N -4.49 0.09 0.00 5.26 0.28 -1.26 -2.37 120.64 118.16 3non n GLU 129 Ca 0.03 0.47 0.14 0.00 -0.16 0.00 0.00 57.16 57.64 3non n GLU 129 Cb 0.19 -1.74 0.55 0.00 1.43 0.00 0.00 31.44 31.88 3non n GLU 129 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 3non n LEU 130 N -1.92 0.71 -0.04 -1.84 4.77 -0.12 -4.03 117.00 114.52 3non n LEU 130 Ca 0.01 -0.12 -0.13 0.00 -0.03 0.00 0.00 56.01 55.74 3non n LEU 130 Cb 0.10 -0.14 -0.08 0.00 -2.33 0.00 0.00 43.42 40.98 3non n LEU 130 CO 0.11 0.13 0.61 -0.07 -1.33 0.00 0.00 177.39 176.84 3non h LEU 131 N 0.91 0.29 -0.58 2.23 3.38 -1.65 -3.35 115.31 116.54 3non h LEU 131 Ca 0.00 -0.48 0.04 0.00 0.09 0.00 0.00 57.88 57.52 3non h LEU 131 Cb 0.40 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.02 3non h LEU 131 CO 0.00 0.71 0.34 0.00 0.09 0.00 0.00 178.44 179.58 3non h ALA 132 N 0.58 0.76 0.00 1.53 0.00 -1.70 -1.39 119.26 119.04 3non h ALA 132 Ca 0.02 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 3non h ALA 132 Cb 0.63 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 3non h ALA 132 CO 0.03 0.04 -0.00 -1.35 0.00 0.00 0.00 179.25 177.97 3non h PRO 133 N 0.66 0.00 -0.31 0.00 0.11 -1.79 0.50 132.00 131.16 3non h PRO 133 Ca 0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.35 3non h PRO 133 Cb 0.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.18 3non h PRO 133 CO -0.12 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 178.95 3non n LEU 134 N -3.14 2.03 0.00 2.35 4.77 -0.57 -4.80 117.00 117.65 3non n LEU 134 Ca -0.02 -0.95 0.00 0.00 -0.03 0.00 0.00 56.01 55.00 3non n LEU 134 Cb 0.11 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 40.99 3non n LEU 134 CO 0.22 0.48 0.00 0.61 -1.33 0.00 0.00 177.39 177.36 3non n GLY 135 N 1.15 0.45 3.82 -0.72 0.00 0.17 -4.20 105.19 105.86 3non n GLY 135 Ca 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 3non n GLY 135 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3non s ALA 136 N -2.17 2.82 -0.46 4.61 0.00 -0.93 -0.31 121.76 125.31 3non s ALA 136 Ca 0.00 0.29 -0.20 0.00 0.00 0.00 0.00 51.96 52.05 3non s ALA 136 Cb 0.00 -3.19 0.03 0.00 0.00 0.00 0.00 23.12 19.96 3non s ALA 136 CO 0.00 -0.73 0.61 0.42 0.00 0.00 0.00 175.76 176.05 3non s ILE 137 N -2.60 4.88 0.12 0.00 1.01 0.86 -3.92 121.20 121.55 3non s ILE 137 Ca 0.61 -0.17 -0.31 0.00 0.00 0.00 0.00 60.65 60.79 3non s ILE 137 Cb -0.14 -4.21 -0.07 0.00 0.01 0.00 0.00 42.46 38.04 3non s ILE 137 CO 0.39 -0.65 1.28 -2.16 0.00 0.00 0.00 174.94 173.80 3non s PRO 138 N 2.66 4.40 -0.11 2.79 0.04 -1.26 -1.68 135.00 141.84 3non s PRO 138 Ca 0.18 1.93 0.02 0.00 0.04 0.00 0.00 61.00 63.17 3non s PRO 138 Cb -0.16 -3.28 0.02 0.00 0.04 0.00 0.00 34.50 31.12 3non s PRO 138 CO 0.16 -0.29 -0.14 0.08 0.04 0.00 0.00 177.00 176.84 3non s VAL 139 N 0.78 1.44 -1.27 -0.36 1.01 -0.24 -4.90 120.40 116.86 3non s VAL 139 Ca 0.60 -0.61 -0.08 0.00 0.00 0.00 0.00 61.98 61.89 3non s VAL 139 Cb -0.33 -1.33 0.17 0.00 0.00 0.00 0.00 36.38 34.89 3non s VAL 139 CO 0.32 0.43 1.94 1.41 0.00 0.00 0.00 175.10 179.20 3non n HIS 140 N 4.24 2.80 -4.00 5.22 8.25 -1.26 -4.26 115.22 126.22 3non n HIS 140 Ca -0.19 -2.77 -0.09 0.00 -0.26 0.00 0.00 57.72 54.41 3non n HIS 140 Cb 0.51 -1.86 -0.11 0.00 1.12 0.00 0.00 29.99 29.65 3non n HIS 140 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 3non s GLU 141 N -0.20 0.36 0.27 -0.41 2.02 -1.26 -5.08 118.70 114.40 3non s GLU 141 Ca 0.42 -0.69 0.08 0.00 0.02 0.00 0.00 54.97 54.79 3non s GLU 141 Cb 0.11 0.11 0.35 0.00 0.10 0.00 0.00 34.13 34.80 3non s GLU 141 CO -0.01 -0.05 1.62 -0.09 0.02 0.00 0.00 175.26 176.75 3non h ARG 142 N 4.45 0.12 -3.70 1.61 2.43 -1.93 -3.41 114.38 113.95 3non h ARG 142 Ca -0.32 -0.08 -0.41 0.00 -0.81 0.00 0.00 59.98 58.36 3non h ARG 142 Cb 1.20 0.01 -0.37 0.00 -0.42 0.00 0.00 29.97 30.39 3non h ARG 142 CO 0.44 0.66 -0.76 0.08 -1.51 0.00 0.00 179.97 178.88 3non s VAL 143 N -3.77 0.30 -0.09 0.20 1.01 -1.26 -0.63 120.40 116.16 3non s VAL 143 Ca -0.03 0.12 0.03 0.00 0.00 0.00 0.00 61.98 62.11 3non s VAL 143 Cb 0.13 -0.44 0.01 0.00 0.00 0.00 0.00 36.38 36.07 3non s VAL 143 CO 0.77 0.22 -0.19 -0.69 0.00 0.00 0.00 175.10 175.22 3non s VAL 144 N 1.68 1.70 -0.10 2.92 1.01 0.15 -4.98 120.40 122.78 3non s VAL 144 Ca 0.00 -0.81 0.01 0.00 0.00 0.00 0.00 61.98 61.19 3non s VAL 144 Cb -0.13 -1.49 -0.02 0.00 0.00 0.00 0.00 36.38 34.74 3non s VAL 144 CO -0.04 0.48 -0.13 -0.60 0.00 0.00 0.00 175.10 174.81 3non s ARG 145 N 0.49 3.06 -0.31 2.72 3.52 -1.26 -1.09 118.95 126.06 3non s ARG 145 Ca -0.17 -0.68 -0.02 0.00 -0.13 0.00 0.00 55.73 54.74 3non s ARG 145 Cb -0.17 -2.55 0.12 0.00 -1.56 0.00 0.00 34.95 30.79 3non s ARG 145 CO 0.07 0.38 0.20 0.34 -0.81 0.00 0.00 175.30 175.48 3non s ASP 146 N -0.08 2.86 1.91 -2.12 -1.08 -0.68 -4.92 116.67 112.54 3non s ASP 146 Ca -0.02 -1.46 0.00 0.00 -0.52 0.00 0.00 52.55 50.55 3non s ASP 146 Cb -0.14 -0.13 0.00 0.00 -1.46 0.00 0.00 42.92 41.19 3non s ASP 146 CO 0.04 -0.38 0.00 0.61 0.52 0.00 0.00 175.17 175.95 3non n GLY 147 N 4.85 3.78 1.09 2.66 0.00 -1.26 -1.31 105.19 114.99 3non n GLY 147 Ca 0.01 -0.02 0.07 0.00 0.00 0.00 0.00 46.02 46.08 3non n GLY 147 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3non n ASN 148 N 7.15 3.16 -4.79 1.61 6.94 -1.26 -4.84 115.26 123.24 3non n ASN 148 Ca 0.00 -2.17 -0.39 0.00 -0.02 0.00 0.00 54.58 52.00 3non n ASN 148 Cb 0.00 -0.42 -0.06 0.00 -2.36 0.00 0.00 39.78 36.94 3non n ASN 148 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 3non s LEU 149 N -1.25 4.52 -0.07 -4.53 1.43 -0.43 -1.16 118.68 117.20 3non s LEU 149 Ca 0.35 1.38 -0.03 0.00 -1.03 0.00 0.00 54.13 54.80 3non s LEU 149 Cb 0.21 -3.05 0.04 0.00 0.03 0.00 0.00 46.19 43.42 3non s LEU 149 CO 0.20 0.20 0.10 -0.22 0.23 0.00 0.00 176.35 176.86 3non s LEU 150 N -0.87 0.08 0.00 1.79 2.96 -0.65 -1.69 118.68 120.29 3non s LEU 150 Ca 0.32 0.11 0.07 0.00 -0.22 0.00 0.00 54.13 54.41 3non s LEU 150 Cb -0.20 0.00 -0.02 0.00 0.50 0.00 0.00 46.19 46.47 3non s LEU 150 CO 0.21 -0.26 -0.22 0.42 -1.32 0.00 0.00 176.35 175.19 3non s THR 151 N 2.21 1.71 0.14 3.68 -4.23 -0.25 -2.43 115.64 116.47 3non s THR 151 Ca 0.04 -1.02 0.05 0.00 -1.18 0.00 0.00 61.69 59.58 3non s THR 151 Cb -0.12 -1.44 -0.04 0.00 1.34 0.00 0.00 72.50 72.24 3non s THR 151 CO -0.05 0.40 0.11 -0.83 -0.54 0.00 0.00 174.62 173.72 3non s GLY 152 N -0.72 1.79 0.00 3.99 0.00 -0.05 -0.67 107.32 111.67 3non s GLY 152 Ca 0.08 -1.17 0.00 0.00 0.00 0.00 0.00 44.72 43.63 3non s GLY 152 CO 0.00 -1.17 0.00 0.61 0.00 0.00 0.00 173.10 172.54 3non n GLY 153 N -0.12 -0.79 3.75 0.20 0.00 0.20 -4.24 105.19 104.19 3non n GLY 153 Ca -0.08 -1.40 -0.37 0.00 0.00 0.00 0.00 46.02 44.16 3non n GLY 153 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3non s GLY 154 N -0.39 2.83 0.00 -0.02 0.00 -1.25 -4.49 107.32 104.01 3non s GLY 154 Ca 0.00 1.18 0.00 0.00 0.00 0.00 0.00 44.72 45.90 3non s GLY 154 CO 0.00 1.64 0.00 1.39 0.00 0.00 0.00 173.10 176.13 3non n ILE 155 N -1.19 0.00 0.37 0.90 5.41 -1.26 -0.35 119.36 123.23 3non n ILE 155 Ca 0.11 0.00 0.09 0.00 1.00 0.00 0.00 62.75 63.95 3non n ILE 155 Cb 0.47 0.00 0.39 0.00 -0.71 0.00 0.00 39.64 39.79 3non n ILE 155 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 3non n THR 156 N 0.00 1.03 0.30 1.39 -2.24 -1.26 -1.58 114.28 111.92 3non n THR 156 Ca 0.00 0.32 0.19 0.00 -2.27 0.00 0.00 64.05 62.28 3non n THR 156 Cb 0.00 -1.19 1.02 0.00 -2.10 0.00 0.00 70.33 68.05 3non n THR 156 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3non h ALA 157 N 2.30 1.35 -1.06 6.98 0.00 -0.92 -2.14 119.26 125.76 3non h ALA 157 Ca 0.00 -0.00 0.28 0.00 0.00 0.00 0.00 54.91 55.19 3non h ALA 157 Cb 0.25 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 17.95 3non h ALA 157 CO 0.00 -0.10 0.70 0.78 0.00 0.00 0.00 179.25 180.63 3non h GLY 158 N 0.00 1.02 0.84 0.00 0.00 -1.51 0.25 103.07 103.67 3non h GLY 158 Ca 0.02 -0.17 -0.10 0.00 0.00 0.00 0.00 47.33 47.08 3non h GLY 158 CO -0.00 -0.12 -0.27 -2.22 0.00 0.00 0.00 176.54 173.92 3non h ILE 159 N 0.32 1.34 -0.41 2.60 2.04 -1.64 0.51 117.51 122.28 3non h ILE 159 Ca 0.59 -1.49 -0.03 0.00 1.00 0.00 0.00 64.86 64.93 3non h ILE 159 Cb 1.64 1.89 -0.02 0.00 -0.74 0.00 0.00 36.82 39.58 3non h ILE 159 CO -0.25 0.45 0.15 0.44 0.00 0.00 0.00 178.15 178.94 3non h ASP 160 N 0.14 0.57 -0.48 1.72 3.32 -1.53 -1.84 116.42 118.32 3non h ASP 160 Ca 0.02 -0.18 0.08 0.00 0.02 0.00 0.00 57.03 56.96 3non h ASP 160 Cb 0.85 -0.15 -0.06 0.00 0.22 0.00 0.00 39.33 40.19 3non h ASP 160 CO 0.06 0.60 0.10 0.15 -1.72 0.00 0.00 179.24 178.43 3non h PHE 161 N 0.51 0.17 -0.14 4.55 3.57 -0.94 -1.70 116.94 122.96 3non h PHE 161 Ca 0.13 0.03 -0.14 0.00 3.53 0.00 0.00 57.97 61.52 3non h PHE 161 Cb 0.22 -0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.94 3non h PHE 161 CO 0.00 0.01 -0.53 0.00 -2.23 0.00 0.00 178.31 175.57 3non h ALA 162 N 1.36 0.85 -0.31 2.41 0.00 -0.57 0.35 119.26 123.35 3non h ALA 162 Ca 0.24 -0.50 -0.11 0.00 0.00 0.00 0.00 54.91 54.54 3non h ALA 162 Cb 0.30 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3non h ALA 162 CO -0.30 0.68 -0.26 -0.07 0.00 0.00 0.00 179.25 179.29 3non h LEU 163 N 0.30 0.64 -0.27 0.00 3.38 -1.15 0.76 115.31 118.97 3non h LEU 163 Ca 0.01 -0.23 -0.02 0.00 0.09 0.00 0.00 57.88 57.73 3non h LEU 163 Cb 1.02 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.59 3non h LEU 163 CO 0.09 0.88 0.10 0.74 0.09 0.00 0.00 178.44 180.35 3non h THR 164 N 0.55 1.18 -0.74 0.22 2.02 -0.86 -2.40 112.91 112.88 3non h THR 164 Ca 0.07 -0.54 -0.00 0.00 0.77 0.00 0.00 66.41 66.71 3non h THR 164 Cb 0.74 1.04 -0.04 0.00 -1.74 0.00 0.00 68.15 68.15 3non h THR 164 CO 0.06 0.18 0.45 0.25 0.37 0.00 0.00 175.52 176.83 3non h LEU 165 N 0.28 0.89 -0.86 2.58 5.85 -0.76 -2.41 115.31 120.87 3non h LEU 165 Ca 0.09 -0.06 0.09 0.00 0.84 0.00 0.00 57.88 58.84 3non h LEU 165 Cb 0.19 -0.22 -0.07 0.00 0.37 0.00 0.00 40.66 40.92 3non h LEU 165 CO -0.01 0.69 0.51 0.00 -0.34 0.00 0.00 178.44 179.29 3non h ALA 166 N 1.24 1.23 -0.12 1.25 0.00 -0.66 0.70 119.26 122.90 3non h ALA 166 Ca 0.27 0.02 -0.09 0.00 0.00 0.00 0.00 54.91 55.11 3non h ALA 166 Cb -0.04 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3non h ALA 166 CO -0.05 0.16 -0.32 0.00 0.00 0.00 0.00 179.25 179.05 3non h ALA 167 N 1.46 1.25 -0.10 0.00 0.00 -0.96 -0.50 119.26 120.41 3non h ALA 167 Ca 0.41 -0.34 -0.23 0.00 0.00 0.00 0.00 54.91 54.75 3non h ALA 167 Cb 0.34 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.05 3non h ALA 167 CO -0.23 0.51 -0.84 0.93 0.00 0.00 0.00 179.25 179.62 3non h GLU 168 N 0.20 0.68 -0.13 0.00 4.39 -0.85 -2.86 114.58 116.00 3non h GLU 168 Ca 0.03 -0.60 -0.14 0.00 0.34 0.00 0.00 59.36 58.99 3non h GLU 168 Cb 0.66 0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 29.44 3non h GLU 168 CO 0.05 1.21 -0.52 -0.07 -1.16 0.00 0.00 179.01 178.52 3non h LEU 169 N 0.44 0.41 0.00 1.33 3.38 -0.71 -3.44 115.31 116.72 3non h LEU 169 Ca -0.07 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.70 3non h LEU 169 Cb 1.46 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 42.10 3non h LEU 169 CO 0.16 0.85 0.00 0.49 0.09 0.00 0.00 178.44 180.04 3non n PHE 170 N -3.95 0.00 -3.83 1.13 3.72 -0.21 -5.10 117.46 109.21 3non n PHE 170 Ca -0.02 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.30 3non n PHE 170 Cb 0.57 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.11 3non n PHE 170 CO 0.00 0.00 0.00 0.16 -0.05 0.00 0.00 176.76 176.87 3non s ASP 171 N 1.00 -0.14 0.26 4.37 1.47 -1.08 -4.93 116.67 117.62 3non s ASP 171 Ca 0.00 -0.84 -0.05 0.00 1.18 0.00 0.00 52.55 52.84 3non s ASP 171 Cb 0.00 0.77 0.30 0.00 -0.34 0.00 0.00 42.92 43.66 3non s ASP 171 CO 0.00 -1.48 1.87 0.00 0.68 0.00 0.00 175.17 176.24 3non h ALA 172 N 2.00 1.22 -0.96 2.11 0.00 -1.90 -1.98 119.26 119.76 3non h ALA 172 Ca -0.25 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 54.54 3non h ALA 172 Cb 1.25 -0.32 -0.05 0.00 0.00 0.00 0.00 17.79 18.67 3non h ALA 172 CO 0.31 0.61 0.63 0.00 0.00 0.00 0.00 179.25 180.81 3non h ALA 173 N 1.33 1.34 -0.16 0.00 0.00 -1.96 0.74 119.26 120.55 3non h ALA 173 Ca 0.28 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 55.05 3non h ALA 173 Cb 0.06 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 17.48 3non h ALA 173 CO -0.04 0.60 -0.20 1.15 0.00 0.00 0.00 179.25 180.76 3non h THR 174 N 1.27 1.35 -0.96 0.00 2.02 -1.86 -0.92 112.91 113.81 3non h THR 174 Ca 0.36 -1.40 0.01 0.00 0.77 0.00 0.00 66.41 66.15 3non h THR 174 Cb -0.10 1.90 -0.05 0.00 -1.74 0.00 0.00 68.15 68.16 3non h THR 174 CO -0.09 0.41 0.63 0.00 0.37 0.00 0.00 175.52 176.84 3non h ALA 175 N 0.60 1.22 -0.47 6.16 0.00 -1.07 -1.38 119.26 124.31 3non h ALA 175 Ca 0.02 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 3non h ALA 175 Cb 0.75 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 3non h ALA 175 CO 0.05 0.62 -0.08 1.96 0.00 0.00 0.00 179.25 181.80 3non h GLN 176 N 1.30 0.84 -0.38 0.00 4.20 -0.71 0.28 115.11 120.63 3non h GLN 176 Ca 0.35 -0.27 -0.03 0.00 0.06 0.00 0.00 58.65 58.76 3non h GLN 176 Cb -0.14 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.55 3non h GLN 176 CO -0.07 0.89 0.11 -0.09 -0.67 0.00 0.00 178.83 179.00 3non h ARG 177 N 0.76 0.59 -0.65 1.46 2.43 -0.71 -1.39 114.38 116.88 3non h ARG 177 Ca 0.13 -0.13 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 3non h ARG 177 Cb 0.57 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 30.00 3non h ARG 177 CO 0.03 0.61 0.32 0.28 -1.51 0.00 0.00 179.97 179.70 3non h VAL 178 N 0.47 1.22 -0.70 0.20 2.07 -0.98 -0.07 116.25 118.46 3non h VAL 178 Ca 0.12 -0.61 0.10 0.00 0.82 0.00 0.00 66.70 67.13 3non h VAL 178 Cb 0.27 0.43 -0.07 0.00 -1.52 0.00 0.00 31.29 30.39 3non h VAL 178 CO -0.00 0.25 0.34 -0.61 0.02 0.00 0.00 177.57 177.56 3non h GLN 179 N 0.89 0.55 -0.42 1.57 4.15 -0.74 0.32 115.11 121.43 3non h GLN 179 Ca 0.22 -0.03 -0.13 0.00 0.77 0.00 0.00 58.65 59.47 3non h GLN 179 Cb 0.11 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 27.66 3non h GLN 179 CO -0.03 0.36 -0.27 1.25 -1.93 0.00 0.00 178.83 178.22 3non h LEU 180 N 0.56 0.96 -1.63 -2.39 5.85 -0.86 -1.23 115.31 116.57 3non h LEU 180 Ca 0.35 -0.42 -0.01 0.00 0.84 0.00 0.00 57.88 58.63 3non h LEU 180 Cb 0.39 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 3non h LEU 180 CO -0.28 1.18 0.10 1.56 -0.34 0.00 0.00 178.44 180.65 3non h GLN 181 N 0.74 0.34 0.00 1.25 4.20 -0.47 -1.21 115.11 119.97 3non h GLN 181 Ca 0.09 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.76 3non h GLN 181 Cb 0.84 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.56 3non h GLN 181 CO 0.07 0.28 0.00 1.28 -0.67 0.00 0.00 178.83 179.80 3non n LEU 182 N -4.44 0.00 -4.20 1.46 4.77 0.05 -4.91 117.00 109.73 3non n LEU 182 Ca 0.01 0.29 -0.32 0.00 -0.03 0.00 0.00 56.01 55.96 3non n LEU 182 Cb 0.12 -0.29 -0.06 0.00 -2.33 0.00 0.00 43.42 40.87 3non n LEU 182 CO 0.36 -0.02 -0.26 1.21 -1.33 0.00 0.00 177.39 177.35 3non n GLU 183 N -1.29 -2.19 -2.67 3.23 2.13 -0.46 -4.83 120.64 114.57 3non n GLU 183 Ca 0.13 0.26 -0.43 0.00 0.66 0.00 0.00 57.16 57.78 3non n GLU 183 Cb 0.23 -4.36 0.00 0.00 0.27 0.00 0.00 31.44 27.58 3non n GLU 183 CO 0.00 0.00 0.00 0.98 -0.41 0.00 0.00 177.13 177.70 3non n TYR 184 N -4.42 4.22 -3.56 4.31 9.36 -0.53 -4.68 117.16 121.85 3non n TYR 184 Ca -0.19 -3.11 -0.27 0.00 3.32 0.00 0.00 57.90 57.65 3non n TYR 184 Cb 0.62 -2.16 -0.09 0.00 -0.63 0.00 0.00 39.34 37.08 3non n TYR 184 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3non n ALA 185 N 5.30 3.68 -1.75 2.98 0.00 -1.26 -4.96 120.51 124.50 3non n ALA 185 Ca 0.39 -4.52 -0.38 0.00 0.00 0.00 0.00 53.44 48.94 3non n ALA 185 Cb 0.41 -0.93 0.04 0.00 0.00 0.00 0.00 19.45 18.97 3non n ALA 185 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3non s PRO 186 N -1.94 3.07 -0.41 0.00 0.04 -1.26 -4.98 135.00 129.52 3non s PRO 186 Ca 0.34 2.12 0.07 0.00 0.04 0.00 0.00 61.00 63.57 3non s PRO 186 Cb 0.08 -2.16 0.23 0.00 0.04 0.00 0.00 34.50 32.69 3non s PRO 186 CO -0.08 -1.21 0.48 0.00 0.04 0.00 0.00 177.00 176.23 3non n ALA 187 N -1.20 2.62 -1.78 8.56 0.00 -1.26 -5.13 120.51 122.32 3non n ALA 187 Ca 0.11 -3.39 -0.41 0.00 0.00 0.00 0.00 53.44 49.75 3non n ALA 187 Cb 0.46 -0.80 -0.01 0.00 0.00 0.00 0.00 19.45 19.10 3non n ALA 187 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 3non s PRO 188 N -0.91 4.14 0.02 0.00 0.02 -1.26 -4.87 135.00 132.14 3non s PRO 188 Ca 0.35 2.53 0.23 0.00 0.02 0.00 0.00 61.00 64.13 3non s PRO 188 Cb 0.13 -3.01 0.97 0.00 0.02 0.00 0.00 34.50 32.62 3non s PRO 188 CO -0.13 -0.54 1.74 -0.35 -0.33 0.00 0.00 177.00 177.39 3non n PRO 189 N 1.30 0.02 -4.46 5.54 -0.04 -1.26 -4.78 135.00 131.33 3non n PRO 189 Ca 0.04 0.12 -0.24 0.00 -0.04 0.00 0.00 63.50 63.38 3non n PRO 189 Cb 0.39 -1.53 -0.08 0.00 -0.04 0.00 0.00 33.50 32.24 3non n PRO 189 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3non s PHE 190 N -3.02 1.77 -0.22 0.54 0.08 -1.26 -5.08 117.98 110.80 3non s PHE 190 Ca 0.11 -1.39 0.12 0.00 0.12 0.00 0.00 56.93 55.89 3non s PHE 190 Cb 0.15 -1.04 0.44 0.00 -0.57 0.00 0.00 43.02 41.99 3non s PHE 190 CO 0.43 -0.45 1.20 0.09 -0.10 0.00 0.00 175.22 176.39 3non n ASN 191 N -1.39 2.66 -1.92 1.36 3.02 -1.26 -4.79 115.26 112.93 3non n ASN 191 Ca -0.03 -3.55 -0.14 0.00 -0.03 0.00 0.00 54.58 50.82 3non n ASN 191 Cb 0.64 -0.44 0.22 0.00 -0.61 0.00 0.00 39.78 39.59 3non n ASN 191 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3non n ALA 192 N -0.80 5.01 1.34 5.41 0.00 -1.26 -3.02 120.51 127.20 3non n ALA 192 Ca 0.25 -2.79 0.15 0.00 0.00 0.00 0.00 53.44 51.04 3non n ALA 192 Cb 0.83 -1.23 0.71 0.00 0.00 0.00 0.00 19.45 19.76 3non n ALA 192 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3non n GLY 193 N -0.88 -1.28 3.10 0.00 0.00 -1.26 -4.51 105.19 100.35 3non n GLY 193 Ca 0.49 -0.15 -0.15 0.00 0.00 0.00 0.00 46.02 46.20 3non n GLY 193 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3non s SER 194 N -2.64 1.16 0.48 1.61 0.15 -1.26 -5.01 113.70 108.18 3non s SER 194 Ca 0.26 -0.54 0.32 0.00 0.70 0.00 0.00 55.95 56.69 3non s SER 194 Cb 0.20 -0.01 1.72 0.00 -1.71 0.00 0.00 66.02 66.22 3non s SER 194 CO 0.48 -0.13 1.99 1.55 1.20 0.00 0.00 173.24 178.33 3non h PRO 195 N 4.56 0.00 0.00 5.44 0.13 -1.91 0.85 132.00 141.07 3non h PRO 195 Ca -0.37 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 3non h PRO 195 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 3non h PRO 195 CO 0.41 0.00 -0.29 -0.25 -0.23 0.00 0.00 178.00 177.64 3non n ASP 196 N -2.65 0.67 0.00 1.44 8.00 -1.26 -4.39 116.55 118.35 3non n ASP 196 Ca -0.02 0.32 0.00 0.00 0.71 0.00 0.00 54.79 55.81 3non n ASP 196 Cb 0.07 -0.31 0.00 0.00 -0.02 0.00 0.00 41.12 40.87 3non n ASP 196 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3non n THR 197 N -2.07 0.00 -1.42 -3.53 -2.24 -0.52 -4.98 114.28 99.51 3non n THR 197 Ca 0.05 0.00 -0.50 0.00 -2.27 0.00 0.00 64.05 61.33 3non n THR 197 Cb 0.42 -0.79 -0.04 0.00 -2.10 0.00 0.00 70.33 67.82 3non n THR 197 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3non n ALA 198 N -1.90 -3.01 -1.51 6.98 0.00 0.18 -4.63 120.51 116.61 3non n ALA 198 Ca 0.00 0.47 -0.50 0.00 0.00 0.00 0.00 53.44 53.41 3non n ALA 198 Cb 0.43 -1.64 -0.04 0.00 0.00 0.00 0.00 19.45 18.20 3non n ALA 198 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3non n PRO 199 N 1.10 0.62 -0.28 0.00 -0.02 -1.26 -4.79 135.00 130.36 3non n PRO 199 Ca 0.18 0.22 0.14 0.00 -2.02 0.00 0.00 63.50 62.02 3non n PRO 199 Cb 0.22 -1.55 0.40 0.00 -0.02 0.00 0.00 33.50 32.54 3non n PRO 199 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3non h ALA 200 N 2.43 1.90 -0.98 3.55 0.00 -1.89 0.15 119.26 124.42 3non h ALA 200 Ca -0.40 0.03 0.06 0.00 0.00 0.00 0.00 54.91 54.60 3non h ALA 200 Cb 1.39 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 19.02 3non h ALA 200 CO 0.64 -0.18 0.63 0.66 0.00 0.00 0.00 179.25 181.00 3non h SER 201 N 0.63 1.02 -0.32 0.00 4.64 -1.99 -1.99 113.55 115.54 3non h SER 201 Ca 0.48 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.68 3non h SER 201 Cb 0.88 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 62.74 3non h SER 201 CO -0.23 0.67 -0.28 0.58 -0.87 0.00 0.00 176.83 176.70 3non h VAL 202 N 1.17 1.27 -0.55 0.95 2.07 -1.06 -2.39 116.25 117.71 3non h VAL 202 Ca 0.41 -1.42 -0.03 0.00 0.82 0.00 0.00 66.70 66.48 3non h VAL 202 Cb 0.12 1.27 -0.03 0.00 -1.52 0.00 0.00 31.29 31.13 3non h VAL 202 CO -0.16 0.48 0.22 0.58 0.02 0.00 0.00 177.57 178.71 3non h VAL 203 N 0.70 1.20 0.34 2.57 2.07 -1.03 -2.72 116.25 119.38 3non h VAL 203 Ca 0.08 -0.61 -0.02 0.00 0.82 0.00 0.00 66.70 66.97 3non h VAL 203 Cb 0.82 0.54 0.00 0.00 -1.52 0.00 0.00 31.29 31.13 3non h VAL 203 CO 0.07 0.24 -0.16 1.56 0.02 0.00 0.00 177.57 179.30 3non h GLN 204 N 0.79 -0.44 0.01 1.57 4.20 -1.06 -1.18 115.11 119.00 3non h GLN 204 Ca 0.19 0.03 0.03 0.00 0.06 0.00 0.00 58.65 58.96 3non h GLN 204 Cb 0.15 0.10 -0.04 0.00 0.30 0.00 0.00 27.48 27.99 3non h GLN 204 CO -0.02 -0.12 -0.20 0.37 -0.67 0.00 0.00 178.83 178.20 3non h GLN 205 N -0.94 -0.31 -0.31 1.46 5.75 -1.51 0.30 115.11 119.55 3non h GLN 205 Ca -0.05 0.02 0.09 0.00 -0.15 0.00 0.00 58.65 58.57 3non h GLN 205 Cb 0.52 0.07 -0.01 0.00 1.07 0.00 0.00 27.48 29.13 3non h GLN 205 CO 0.08 -0.21 0.31 0.00 -2.65 0.00 0.00 178.83 176.36 3non h ALA 206 N 0.57 2.04 0.39 3.38 0.00 -1.58 -0.30 119.26 123.76 3non h ALA 206 Ca 0.05 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 3non h ALA 206 Cb 0.39 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3non h ALA 206 CO -0.17 -0.47 -0.19 0.00 0.00 0.00 0.00 179.25 178.42 3non h ARG 207 N 0.00 -0.51 -0.82 0.00 3.08 0.43 -2.78 114.38 113.78 3non h ARG 207 Ca 0.15 0.03 0.16 0.00 0.07 0.00 0.00 59.98 60.40 3non h ARG 207 Cb 0.76 0.12 -0.06 0.00 0.08 0.00 0.00 29.97 30.87 3non h ARG 207 CO -0.00 -0.34 0.55 -0.56 -1.07 0.00 0.00 179.97 178.55 3non h GLN 208 N -0.89 0.45 -0.20 0.04 3.07 -0.02 -0.96 115.11 116.59 3non h GLN 208 Ca -0.05 -0.03 -0.18 0.00 0.09 0.00 0.00 58.65 58.48 3non h GLN 208 Cb 0.40 -0.10 0.00 0.00 0.08 0.00 0.00 27.48 27.87 3non h GLN 208 CO 0.09 0.30 -0.57 0.00 0.09 0.00 0.00 178.83 178.73 3non h ARG 209 N 0.46 0.74 0.00 0.06 3.08 -1.16 -2.83 114.38 114.73 3non h ARG 209 Ca 0.41 -0.53 0.00 0.00 0.07 0.00 0.00 59.98 59.93 3non h ARG 209 Cb 0.93 0.09 0.00 0.00 0.08 0.00 0.00 29.97 31.06 3non h ARG 209 CO -0.15 1.15 0.00 0.00 -1.07 0.00 0.00 179.97 179.90 3non n ALA 210 N -2.57 2.00 -0.07 0.04 0.00 -0.45 -4.18 120.51 115.29 3non n ALA 210 Ca -0.06 -0.09 -0.10 0.00 0.00 0.00 0.00 53.44 53.19 3non n ALA 210 Cb 0.64 -1.29 -0.03 0.00 0.00 0.00 0.00 19.45 18.76 3non n ALA 210 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3non h ALA 211 N 2.89 0.31 -0.48 0.00 0.00 -1.08 0.63 119.26 121.54 3non h ALA 211 Ca 0.00 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 3non h ALA 211 Cb 0.14 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3non h ALA 211 CO 0.00 -0.15 -0.04 -0.44 0.00 0.00 0.00 179.25 178.62 3non h ASP 212 N 0.28 0.79 -0.51 0.00 3.32 -1.79 -0.63 116.42 117.88 3non h ASP 212 Ca 0.08 -0.21 -0.01 0.00 0.02 0.00 0.00 57.03 56.91 3non h ASP 212 Cb 0.07 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.39 3non h ASP 212 CO -0.01 0.88 0.27 -1.28 -1.72 0.00 0.00 179.24 177.37 3non h SER 213 N 0.75 0.65 -0.47 6.45 0.87 -1.70 -1.67 113.55 118.43 3non h SER 213 Ca 0.14 -0.11 -0.01 0.00 -1.23 0.00 0.00 61.79 60.58 3non h SER 213 Cb 0.51 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 62.28 3non h SER 213 CO 0.03 0.57 0.26 0.25 -0.53 0.00 0.00 176.83 177.41 3non h LEU 214 N 0.68 0.59 -0.47 2.23 5.85 -0.38 0.18 115.31 123.99 3non h LEU 214 Ca 0.18 -0.09 0.05 0.00 0.84 0.00 0.00 57.88 58.86 3non h LEU 214 Cb 0.08 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 40.91 3non h LEU 214 CO -0.03 0.51 0.19 0.45 -0.34 0.00 0.00 178.44 179.22 3non h HIS 215 N 0.62 0.34 -0.45 1.25 3.86 -1.01 0.12 115.15 119.86 3non h HIS 215 Ca 0.16 0.02 -0.10 0.00 -1.16 0.00 0.00 60.37 59.30 3non h HIS 215 Cb 0.05 -0.08 -0.01 0.00 1.06 0.00 0.00 27.41 28.43 3non h HIS 215 CO -0.02 0.14 -0.10 0.87 0.86 0.00 0.00 177.93 179.68 3non h LYS 216 N 0.38 0.86 -0.05 2.45 1.57 -0.95 -2.68 116.57 118.15 3non h LYS 216 Ca 0.22 -0.33 -0.06 0.00 -1.87 0.00 0.00 60.65 58.61 3non h LYS 216 Cb 0.19 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 3non h LYS 216 CO -0.20 0.96 -0.27 0.00 -0.57 0.00 0.00 179.45 179.38 3non h ARG 217 N 0.70 0.08 -0.36 3.15 2.47 -0.41 -2.14 114.38 117.87 3non h ARG 217 Ca 0.12 -0.02 -0.04 0.00 -1.26 0.00 0.00 59.98 58.77 3non h ARG 217 Cb 0.64 -0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.94 3non h ARG 217 CO 0.04 0.35 0.08 -0.09 0.56 0.00 0.00 179.97 180.91 3non h ARG 218 N 0.07 0.58 -0.46 0.04 2.43 -0.53 0.11 114.38 116.63 3non h ARG 218 Ca 0.01 -0.15 -0.11 0.00 -0.81 0.00 0.00 59.98 58.93 3non h ARG 218 Cb 0.52 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.98 3non h ARG 218 CO 0.04 0.63 -0.15 0.93 -1.51 0.00 0.00 179.97 179.91 3non h GLU 219 N 0.43 0.87 -0.62 0.20 5.08 -1.15 -1.13 114.58 118.26 3non h GLU 219 Ca 0.11 -0.32 0.02 0.00 -1.00 0.00 0.00 59.36 58.17 3non h GLU 219 Cb 0.32 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.48 3non h GLU 219 CO 0.00 0.96 0.39 0.82 -1.00 0.00 0.00 179.01 180.19 3non h ILE 220 N 0.77 1.11 -0.44 3.13 2.04 -1.25 -0.90 117.51 121.98 3non h ILE 220 Ca 0.12 -0.27 0.03 0.00 1.00 0.00 0.00 64.86 65.74 3non h ILE 220 Cb 0.67 0.26 -0.04 0.00 -0.74 0.00 0.00 36.82 36.98 3non h ILE 220 CO 0.05 0.14 0.23 0.74 0.00 0.00 0.00 178.15 179.31 3non h THR 221 N 0.79 0.99 -0.15 -0.27 2.02 -0.36 0.49 112.91 116.41 3non h THR 221 Ca 0.24 -0.16 -0.12 0.00 0.77 0.00 0.00 66.41 67.14 3non h THR 221 Cb -0.03 0.49 -0.01 0.00 -1.74 0.00 0.00 68.15 66.86 3non h THR 221 CO -0.08 0.08 -0.44 -0.07 0.37 0.00 0.00 175.52 175.39 3non h LEU 222 N 0.46 0.37 -0.44 2.58 3.38 -0.90 0.14 115.31 120.90 3non h LEU 222 Ca 0.19 -0.17 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 3non h LEU 222 Cb 0.08 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 3non h LEU 222 CO -0.12 0.77 0.08 0.03 0.09 0.00 0.00 178.44 179.29 3non h ARG 223 N 0.29 0.72 -0.77 1.13 3.08 -0.72 -1.31 114.38 116.79 3non h ARG 223 Ca 0.02 -0.19 0.03 0.00 0.07 0.00 0.00 59.98 59.92 3non h ARG 223 Cb 0.89 -0.09 -0.05 0.00 0.08 0.00 0.00 29.97 30.80 3non h ARG 223 CO 0.07 0.74 0.49 0.00 -1.07 0.00 0.00 179.97 180.20 3non h ALA 224 N 0.95 1.01 -0.65 0.04 0.00 -0.57 -2.34 119.26 117.70 3non h ALA 224 Ca 0.14 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 3non h ALA 224 Cb 0.36 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 3non h ALA 224 CO 0.01 0.29 0.26 0.00 0.00 0.00 0.00 179.25 179.81 3non h ALA 225 N 1.32 1.24 -0.03 0.00 0.00 -0.49 -2.39 119.26 118.92 3non h ALA 225 Ca 0.31 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 3non h ALA 225 Cb 0.01 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 3non h ALA 225 CO -0.11 0.56 -0.28 0.00 0.00 0.00 0.00 179.25 179.41 3non h ALA 226 N 1.36 1.48 -0.02 0.00 0.00 -0.71 -0.13 119.26 121.23 3non h ALA 226 Ca 0.22 -0.27 -0.12 0.00 0.00 0.00 0.00 54.91 54.73 3non h ALA 226 Cb 0.17 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3non h ALA 226 CO -0.02 0.39 -0.57 0.00 0.00 0.00 0.00 179.25 179.05 3non h ARG 227 N 0.04 0.05 -0.24 0.00 3.08 -1.10 -0.33 114.38 115.89 3non h ARG 227 Ca 0.01 -0.03 -0.16 0.00 0.07 0.00 0.00 59.98 59.86 3non h ARG 227 Cb 0.53 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.58 3non h ARG 227 CO 0.04 0.60 -0.52 -0.07 -1.07 0.00 0.00 179.97 178.95 3non h LEU 228 N 0.04 0.74 -0.42 3.04 3.38 -1.13 -3.03 115.31 117.92 3non h LEU 228 Ca -0.00 -0.38 0.00 0.00 0.09 0.00 0.00 57.88 57.58 3non h LEU 228 Cb 1.01 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.55 3non h LEU 228 CO 0.08 1.12 0.00 0.00 0.09 0.00 0.00 178.44 179.72 3non n ALA 229 N -2.53 1.79 -0.52 1.53 0.00 -0.14 -5.12 120.51 115.52 3non n ALA 229 Ca -0.03 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3non n ALA 229 Cb 0.59 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.67 3non n ALA 229 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50