#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bis n SER -1 N 0.00 1.84 -4.77 1.61 2.88 -1.26 -5.03 113.62 108.90 2bis n SER -1 Ca 0.00 -0.03 -0.34 0.00 -1.33 0.00 0.00 58.87 57.17 2bis n SER -1 Cb 0.00 0.49 0.03 0.00 -0.75 0.00 0.00 64.21 63.97 2bis n SER -1 CO 0.00 0.00 0.00 -2.28 -1.23 0.00 0.00 175.04 171.53 2bis s HIS 0 N -2.35 2.60 0.27 0.66 5.65 -1.26 -5.06 115.29 115.81 2bis s HIS 0 Ca -0.13 1.55 -0.07 0.00 0.25 0.00 0.00 55.06 56.66 2bis s HIS 0 Cb 0.05 -3.26 -0.01 0.00 -1.18 0.00 0.00 32.58 28.18 2bis s HIS 0 CO 0.53 -1.71 0.41 0.00 -0.65 0.00 0.00 174.74 173.33 2bis s MET 1 N -3.65 1.61 -0.27 2.88 0.00 -1.26 -5.05 119.30 113.55 2bis s MET 1 Ca 0.71 -1.49 0.02 0.00 0.00 0.00 0.00 55.69 54.93 2bis s MET 1 Cb -0.23 0.43 0.06 0.00 0.00 0.00 0.00 34.83 35.08 2bis s MET 1 CO 0.34 -0.65 -0.08 0.21 0.00 0.00 0.00 175.02 174.85 2bis s LYS 2 N -3.72 2.26 -0.25 3.16 2.20 -1.26 -1.29 119.74 120.83 2bis s LYS 2 Ca 0.28 -1.35 -0.08 0.00 -0.36 0.00 0.00 55.97 54.45 2bis s LYS 2 Cb 0.01 -2.98 -0.04 0.00 -1.51 0.00 0.00 37.83 33.32 2bis s LYS 2 CO 0.13 -0.60 0.10 0.08 -0.36 0.00 0.00 175.35 174.70 2bis s VAL 3 N 1.13 4.63 -0.37 4.02 1.01 0.12 -0.49 120.40 130.45 2bis s VAL 3 Ca -0.07 -0.07 -0.19 0.00 0.00 0.00 0.00 61.98 61.65 2bis s VAL 3 Cb -0.20 -3.17 0.00 0.00 0.00 0.00 0.00 36.38 33.02 2bis s VAL 3 CO -0.04 0.33 0.55 -0.22 0.00 0.00 0.00 175.10 175.72 2bis s LEU 4 N 1.51 4.37 -0.21 3.92 2.96 0.24 -0.61 118.68 130.86 2bis s LEU 4 Ca 0.06 -0.06 -0.04 0.00 -0.22 0.00 0.00 54.13 53.88 2bis s LEU 4 Cb -0.15 -2.64 -0.01 0.00 0.50 0.00 0.00 46.19 43.89 2bis s LEU 4 CO 0.05 -0.55 -0.05 -0.22 -1.32 0.00 0.00 176.35 174.27 2bis s LEU 5 N 2.51 2.91 -0.16 -0.68 0.20 0.48 0.17 118.68 124.11 2bis s LEU 5 Ca 0.20 -0.37 -0.05 0.00 0.69 0.00 0.00 54.13 54.59 2bis s LEU 5 Cb -0.15 -1.74 -0.04 0.00 -0.43 0.00 0.00 46.19 43.84 2bis s LEU 5 CO 0.14 -0.00 0.03 -0.76 -0.29 0.00 0.00 176.35 175.47 2bis s LEU 6 N 1.37 3.64 -0.17 -0.68 1.43 -0.19 -1.86 118.68 122.22 2bis s LEU 6 Ca 0.04 0.05 -0.13 0.00 -1.03 0.00 0.00 54.13 53.06 2bis s LEU 6 Cb -0.14 -1.89 0.05 0.00 0.03 0.00 0.00 46.19 44.24 2bis s LEU 6 CO -0.02 0.22 0.44 -0.83 0.23 0.00 0.00 176.35 176.38 2bis s GLY 7 N 0.09 -0.34 0.42 -3.19 0.00 -1.01 -2.13 107.32 101.17 2bis s GLY 7 Ca 0.03 1.37 0.23 0.00 0.00 0.00 0.00 44.72 46.35 2bis s GLY 7 CO 0.01 1.31 1.64 -2.75 0.00 0.00 0.00 173.10 173.31 2bis h PHE 8 N 6.05 0.00 -3.48 1.90 3.57 -1.87 -3.38 116.94 119.73 2bis h PHE 8 Ca -0.30 0.00 -0.67 0.00 3.53 0.00 0.00 57.97 60.53 2bis h PHE 8 Cb 1.18 0.00 -0.20 0.00 2.79 0.00 0.00 35.95 39.72 2bis h PHE 8 CO 0.34 0.11 -0.84 -1.21 -2.23 0.00 0.00 178.31 174.47 2bis s GLU 9 N -3.24 1.47 -0.29 1.11 2.02 -1.26 -4.56 118.70 113.95 2bis s GLU 9 Ca 0.05 -1.46 -0.20 0.00 0.02 0.00 0.00 54.97 53.39 2bis s GLU 9 Cb 0.06 -1.87 0.13 0.00 0.10 0.00 0.00 34.13 32.56 2bis s GLU 9 CO 0.67 0.42 0.97 0.12 0.02 0.00 0.00 175.26 177.46 2bis s PHE 10 N -1.43 -0.58 0.32 1.61 5.36 -1.20 -4.57 117.98 117.50 2bis s PHE 10 Ca 0.18 1.24 -0.28 0.00 -0.96 0.00 0.00 56.93 57.11 2bis s PHE 10 Cb -0.09 0.38 -0.13 0.00 -0.34 0.00 0.00 43.02 42.84 2bis s PHE 10 CO 0.08 -0.28 1.13 1.28 -1.46 0.00 0.00 175.22 175.97 2bis n LEU 11 N 3.16 2.61 -0.52 6.12 4.32 -1.25 -0.87 117.00 130.57 2bis n LEU 11 Ca -0.16 1.18 0.06 0.00 -0.02 0.00 0.00 56.01 57.07 2bis n LEU 11 Cb 0.57 -1.38 0.18 0.00 -1.62 0.00 0.00 43.42 41.17 2bis n LEU 11 CO 0.02 -1.01 0.64 -0.81 -1.22 0.00 0.00 177.39 175.01 2bis n PRO 12 N 0.61 1.65 -2.64 3.23 -0.04 -1.26 -5.06 135.00 131.49 2bis n PRO 12 Ca 0.07 -1.01 -0.42 0.00 -0.04 0.00 0.00 63.50 62.11 2bis n PRO 12 Cb 0.34 -1.25 -0.03 0.00 -0.04 0.00 0.00 33.50 32.52 2bis n PRO 12 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2bis s VAL 13 N -1.65 3.99 0.12 0.52 1.01 -0.05 -5.01 120.40 119.33 2bis s VAL 13 Ca 0.22 -0.32 -0.05 0.00 0.00 0.00 0.00 61.98 61.83 2bis s VAL 13 Cb 0.11 -4.91 -0.05 0.00 0.00 0.00 0.00 36.38 31.52 2bis s VAL 13 CO 0.15 -1.78 0.36 -0.54 0.00 0.00 0.00 175.10 173.29 2bis s LYS 14 N 4.89 3.62 0.00 2.72 1.02 -1.26 -3.24 119.74 127.49 2bis s LYS 14 Ca 0.36 -0.08 0.00 0.00 0.02 0.00 0.00 55.97 56.27 2bis s LYS 14 Cb -0.06 -2.88 0.00 0.00 -0.52 0.00 0.00 37.83 34.36 2bis s LYS 14 CO 0.03 0.49 0.00 0.28 -0.92 0.00 0.00 175.35 175.24 2bis n VAL 15 N 0.24 0.00 -2.32 3.17 0.31 -1.26 -5.08 118.33 113.39 2bis n VAL 15 Ca -0.04 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.21 2bis n VAL 15 Cb 0.52 0.00 0.05 0.00 -0.91 0.00 0.00 33.84 33.50 2bis n VAL 15 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2bis n GLY 16 N 1.29 0.60 0.00 2.92 0.00 -1.26 -4.94 105.19 103.80 2bis n GLY 16 Ca 0.00 -1.97 0.05 0.00 0.00 0.00 0.00 46.02 44.10 2bis n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bis n GLY 17 N 2.05 -0.62 0.06 -0.02 0.00 -1.26 -3.81 105.19 101.59 2bis n GLY 17 Ca 0.06 -0.06 -0.12 0.00 0.00 0.00 0.00 46.02 45.91 2bis n GLY 17 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2bis h LEU 18 N 0.00 0.06 -0.64 0.99 5.85 -1.98 -2.13 115.31 117.46 2bis h LEU 18 Ca 0.00 -0.10 0.06 0.00 0.84 0.00 0.00 57.88 58.68 2bis h LEU 18 Cb 0.00 -0.02 -0.06 0.00 0.37 0.00 0.00 40.66 40.96 2bis h LEU 18 CO 0.00 0.14 0.34 0.00 -0.34 0.00 0.00 178.44 178.58 2bis h ALA 19 N 0.92 0.85 -0.69 1.25 0.00 -1.81 -0.49 119.26 119.29 2bis h ALA 19 Ca 0.02 0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.01 2bis h ALA 19 Cb 0.10 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 17.74 2bis h ALA 19 CO -0.00 -0.01 0.39 0.93 0.00 0.00 0.00 179.25 180.56 2bis h GLU 20 N 0.62 0.70 -0.29 0.00 5.08 -1.77 -1.88 114.58 117.04 2bis h GLU 20 Ca 0.29 -0.04 -0.10 0.00 -1.00 0.00 0.00 59.36 58.51 2bis h GLU 20 Cb 0.21 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 2bis h GLU 20 CO -0.20 0.46 -0.20 0.00 -1.00 0.00 0.00 179.01 178.07 2bis h ALA 21 N 1.36 0.42 -0.50 3.43 0.00 -0.46 -1.01 119.26 122.50 2bis h ALA 21 Ca 0.31 -0.36 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 2bis h ALA 21 Cb 0.19 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2bis h ALA 21 CO -0.18 0.37 0.01 -0.07 0.00 0.00 0.00 179.25 179.37 2bis h LEU 22 N 0.40 0.81 -0.23 0.00 3.38 -1.17 -0.29 115.31 118.21 2bis h LEU 22 Ca 0.06 -0.20 -0.04 0.00 0.09 0.00 0.00 57.88 57.79 2bis h LEU 22 Cb 0.75 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 2bis h LEU 22 CO 0.06 0.87 -0.01 0.74 0.09 0.00 0.00 178.44 180.19 2bis h THR 23 N 0.78 1.26 -0.76 0.22 2.02 -1.23 0.80 112.91 116.01 2bis h THR 23 Ca 0.15 -0.92 0.00 0.00 0.77 0.00 0.00 66.41 66.41 2bis h THR 23 Cb 0.46 1.40 -0.04 0.00 -1.74 0.00 0.00 68.15 68.24 2bis h THR 23 CO 0.02 0.29 0.48 0.00 0.37 0.00 0.00 175.52 176.68 2bis h ALA 24 N 0.80 1.42 0.09 6.16 0.00 -1.03 -0.18 119.26 126.51 2bis h ALA 24 Ca 0.07 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2bis h ALA 24 Cb 0.42 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2bis h ALA 24 CO 0.01 0.52 -0.04 0.82 0.00 0.00 0.00 179.25 180.57 2bis h ILE 25 N 1.04 1.14 -0.50 0.00 2.04 -0.84 -2.18 117.51 118.22 2bis h ILE 25 Ca 0.28 -0.91 0.09 0.00 1.00 0.00 0.00 64.86 65.32 2bis h ILE 25 Cb -0.08 1.72 -0.08 0.00 -0.74 0.00 0.00 36.82 37.64 2bis h ILE 25 CO -0.06 0.22 0.05 0.28 0.00 0.00 0.00 178.15 178.65 2bis h SER 26 N -0.54 -0.10 -0.19 1.72 0.02 -0.61 -0.30 113.55 113.54 2bis h SER 26 Ca -0.01 0.11 -0.09 0.00 -0.84 0.00 0.00 61.79 60.95 2bis h SER 26 Cb 0.45 0.17 -0.02 0.00 0.14 0.00 0.00 62.40 63.14 2bis h SER 26 CO 0.02 -0.02 -0.19 -0.33 -1.14 0.00 0.00 176.83 175.17 2bis h GLU 27 N 0.17 0.62 -0.10 3.45 5.08 -1.09 -1.73 114.58 120.98 2bis h GLU 27 Ca 0.25 -0.22 -0.05 0.00 -1.00 0.00 0.00 59.36 58.35 2bis h GLU 27 Cb 0.37 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.57 2bis h GLU 27 CO -0.38 0.77 -0.12 0.00 -1.00 0.00 0.00 179.01 178.29 2bis h ALA 28 N 1.24 0.15 -0.29 3.43 0.00 -0.67 0.25 119.26 123.38 2bis h ALA 28 Ca 0.09 -0.31 0.06 0.00 0.00 0.00 0.00 54.91 54.74 2bis h ALA 28 Cb 0.63 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.33 2bis h ALA 28 CO 0.04 0.01 -0.10 -0.07 0.00 0.00 0.00 179.25 179.14 2bis h LEU 29 N -0.16 -0.34 -0.61 0.00 4.07 -1.13 -2.20 115.31 114.95 2bis h LEU 29 Ca 0.01 0.10 0.03 0.00 0.08 0.00 0.00 57.88 58.10 2bis h LEU 29 Cb 0.65 0.21 -0.04 0.00 1.08 0.00 0.00 40.66 42.56 2bis h LEU 29 CO 0.03 -0.12 0.37 0.00 -1.08 0.00 0.00 178.44 177.63 2bis h ALA 30 N 1.23 0.79 -0.95 1.53 0.00 -1.10 -1.51 119.26 119.25 2bis h ALA 30 Ca 0.14 -0.01 0.11 0.00 0.00 0.00 0.00 54.91 55.16 2bis h ALA 30 Cb 0.25 -0.17 -0.08 0.00 0.00 0.00 0.00 17.79 17.79 2bis h ALA 30 CO -0.32 0.10 0.61 0.77 0.00 0.00 0.00 179.25 180.41 2bis h SER 31 N 0.72 0.85 0.48 0.00 0.02 -0.29 -2.08 113.55 113.24 2bis h SER 31 Ca 0.25 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.24 2bis h SER 31 Cb 0.04 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.45 2bis h SER 31 CO -0.11 0.47 0.00 0.18 -1.14 0.00 0.00 176.83 176.23 2bis n LEU 32 N -4.57 0.12 0.00 5.07 4.77 -0.58 -4.84 117.00 116.97 2bis n LEU 32 Ca 0.17 0.53 0.00 0.00 -0.03 0.00 0.00 56.01 56.69 2bis n LEU 32 Cb 0.35 -0.52 0.00 0.00 -2.33 0.00 0.00 43.42 40.92 2bis n LEU 32 CO 0.29 -0.34 0.00 0.61 -1.33 0.00 0.00 177.39 176.62 2bis n GLY 33 N -0.18 0.77 3.83 -0.72 0.00 -0.78 -5.06 105.19 103.04 2bis n GLY 33 Ca 0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 2bis n GLY 33 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2bis s HIS 34 N -2.00 3.30 -0.15 1.61 3.76 -1.13 -4.71 115.29 115.96 2bis s HIS 34 Ca 0.00 1.53 -0.17 0.00 -0.15 0.00 0.00 55.06 56.27 2bis s HIS 34 Cb 0.00 -2.87 -0.04 0.00 1.11 0.00 0.00 32.58 30.78 2bis s HIS 34 CO 0.00 -0.44 0.44 -2.00 -0.85 0.00 0.00 174.74 171.89 2bis s GLU 35 N -3.70 4.28 -0.13 1.40 2.12 -0.41 -4.26 118.70 118.00 2bis s GLU 35 Ca 0.61 0.35 0.00 0.00 0.36 0.00 0.00 54.97 56.30 2bis s GLU 35 Cb -0.11 -3.47 0.02 0.00 0.26 0.00 0.00 34.13 30.83 2bis s GLU 35 CO 0.25 0.09 -0.11 0.08 -0.54 0.00 0.00 175.26 175.04 2bis s VAL 36 N 0.86 1.28 -0.16 3.70 1.01 -0.94 -0.70 120.40 125.44 2bis s VAL 36 Ca 0.23 -0.45 -0.06 0.00 0.00 0.00 0.00 61.98 61.70 2bis s VAL 36 Cb -0.15 -1.24 -0.04 0.00 0.00 0.00 0.00 36.38 34.95 2bis s VAL 36 CO 0.09 0.41 0.03 -0.76 0.00 0.00 0.00 175.10 174.87 2bis s LEU 37 N 1.57 3.67 -0.19 3.92 1.43 0.22 0.08 118.68 129.38 2bis s LEU 37 Ca 0.04 0.05 -0.04 0.00 -1.03 0.00 0.00 54.13 53.15 2bis s LEU 37 Cb -0.13 -1.91 -0.02 0.00 0.03 0.00 0.00 46.19 44.16 2bis s LEU 37 CO -0.09 0.20 -0.02 -0.69 0.23 0.00 0.00 176.35 175.98 2bis s VAL 38 N 0.21 3.79 -0.06 -1.59 1.01 0.00 -0.39 120.40 123.38 2bis s VAL 38 Ca 0.02 -0.37 -0.04 0.00 0.00 0.00 0.00 61.98 61.59 2bis s VAL 38 Cb -0.13 -2.70 -0.04 0.00 0.00 0.00 0.00 36.38 33.51 2bis s VAL 38 CO 0.01 0.44 0.15 -0.36 0.00 0.00 0.00 175.10 175.34 2bis s PHE 39 N 0.97 3.54 -0.01 5.22 0.08 -0.78 -1.02 117.98 125.99 2bis s PHE 39 Ca 0.01 0.42 -0.28 0.00 0.12 0.00 0.00 56.93 57.19 2bis s PHE 39 Cb -0.14 -1.87 0.09 0.00 -0.57 0.00 0.00 43.02 40.52 2bis s PHE 39 CO 0.01 0.68 0.76 -0.08 -0.10 0.00 0.00 175.22 176.49 2bis s THR 40 N -1.18 0.00 0.67 0.64 -1.32 -1.00 -2.40 115.64 111.06 2bis s THR 40 Ca 0.21 0.00 -0.13 0.00 -1.21 0.00 0.00 61.69 60.56 2bis s THR 40 Cb -0.12 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.87 2bis s THR 40 CO 0.12 0.00 1.08 -2.84 -2.21 0.00 0.00 174.62 170.76 2bis s PRO 41 N -2.24 2.87 0.10 7.08 0.02 -1.26 -0.93 135.00 140.63 2bis s PRO 41 Ca -0.03 1.18 0.01 0.00 0.02 0.00 0.00 61.00 62.18 2bis s PRO 41 Cb -0.01 -1.97 -0.25 0.00 0.02 0.00 0.00 34.50 32.29 2bis s PRO 41 CO -0.02 -1.17 1.21 1.03 -0.33 0.00 0.00 177.00 177.72 2bis h SER 42 N -0.28 0.23 -4.54 2.53 0.87 -0.87 -3.42 113.55 108.08 2bis h SER 42 Ca -0.45 -0.25 -0.38 0.00 -1.23 0.00 0.00 61.79 59.48 2bis h SER 42 Cb 1.23 -0.07 -0.00 0.00 -0.44 0.00 0.00 62.40 63.11 2bis h SER 42 CO 0.55 1.19 -0.55 1.41 -0.53 0.00 0.00 176.83 178.91 2bis n HIS 43 N -3.45 -1.74 -0.84 2.24 8.25 0.10 -1.42 115.22 118.35 2bis n HIS 43 Ca -0.05 0.38 0.00 0.00 -0.26 0.00 0.00 57.72 57.80 2bis n HIS 43 Cb 0.98 -3.74 0.00 0.00 1.12 0.00 0.00 29.99 28.35 2bis n HIS 43 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2bis n GLY 44 N -1.27 0.28 0.08 -1.41 0.00 -1.07 -3.95 105.19 97.84 2bis n GLY 44 Ca -0.10 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.99 2bis n GLY 44 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bis n ARG 45 N -1.23 0.63 -4.67 1.61 5.12 -0.51 -4.96 116.66 112.66 2bis n ARG 45 Ca 0.00 0.04 -0.30 0.00 -1.93 0.00 0.00 57.85 55.67 2bis n ARG 45 Cb 0.16 -1.72 -0.09 0.00 -1.16 0.00 0.00 32.46 29.65 2bis n ARG 45 CO 0.00 0.00 0.00 -0.06 -1.93 0.00 0.00 177.63 175.64 2bis s PHE 46 N -3.26 2.05 -0.24 -1.55 0.40 -1.25 -5.16 117.98 108.97 2bis s PHE 46 Ca -0.04 -0.91 -0.14 0.00 -0.60 0.00 0.00 56.93 55.24 2bis s PHE 46 Cb 0.10 -1.58 0.07 0.00 0.51 0.00 0.00 43.02 42.13 2bis s PHE 46 CO 0.83 0.21 0.59 1.14 0.70 0.00 0.00 175.22 178.70 2bis s GLN 47 N -3.81 0.60 0.42 0.44 -2.07 -1.26 -4.96 119.66 109.02 2bis s GLN 47 Ca 0.19 1.08 0.04 0.00 -1.82 0.00 0.00 55.36 54.84 2bis s GLN 47 Cb 0.05 0.09 -0.01 0.00 -1.09 0.00 0.00 33.01 32.05 2bis s GLN 47 CO 0.10 -0.15 0.13 0.41 -1.32 0.00 0.00 175.29 174.45 2bis n GLY 48 N 4.32 3.28 3.74 2.60 0.00 -1.26 -4.76 105.19 113.11 2bis n GLY 48 Ca -0.21 -2.15 -0.41 0.00 0.00 0.00 0.00 46.02 43.25 2bis n GLY 48 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2bis s GLU 49 N -3.59 4.55 -0.48 1.61 8.01 -1.05 -4.52 118.70 123.23 2bis s GLU 49 Ca 0.18 1.83 -0.27 0.00 0.01 0.00 0.00 54.97 56.73 2bis s GLU 49 Cb 0.01 -3.23 -0.04 0.00 -4.31 0.00 0.00 34.13 26.56 2bis s GLU 49 CO 0.13 0.03 2.04 -1.21 0.01 0.00 0.00 175.26 176.26 2bis s GLU 50 N -0.67 2.67 0.00 1.61 8.01 -1.26 -1.69 118.70 127.37 2bis s GLU 50 Ca 0.49 1.16 0.25 0.00 0.01 0.00 0.00 54.97 56.88 2bis s GLU 50 Cb -0.32 -4.40 0.44 0.00 -4.31 0.00 0.00 34.13 25.54 2bis s GLU 50 CO 0.38 -2.65 1.38 0.44 0.01 0.00 0.00 175.26 174.82 2bis n ILE 51 N 7.54 0.00 -0.75 -1.63 -5.35 -0.12 -4.98 119.36 114.07 2bis n ILE 51 Ca 0.27 -0.27 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 2bis n ILE 51 Cb 0.51 0.93 0.00 0.00 -1.74 0.00 0.00 39.64 39.34 2bis n ILE 51 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2bis n GLY 52 N 1.34 -2.45 2.71 3.28 0.00 -1.23 -5.01 105.19 103.83 2bis n GLY 52 Ca 0.13 -1.27 -0.20 0.00 0.00 0.00 0.00 46.02 44.69 2bis n GLY 52 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2bis s LYS 53 N -1.95 -0.03 0.16 1.61 2.47 -1.26 -0.85 119.74 119.89 2bis s LYS 53 Ca 0.00 0.39 0.09 0.00 -1.56 0.00 0.00 55.97 54.89 2bis s LYS 53 Cb 0.00 -0.57 -0.04 0.00 -1.46 0.00 0.00 37.83 35.76 2bis s LYS 53 CO 0.00 -0.36 -0.12 0.96 0.16 0.00 0.00 175.35 175.99 2bis s ILE 54 N 2.21 3.09 -0.31 5.43 -4.36 -0.37 -4.93 121.20 121.96 2bis s ILE 54 Ca 0.04 -1.60 -0.16 0.00 -0.26 0.00 0.00 60.65 58.68 2bis s ILE 54 Cb -0.12 -2.50 -0.02 0.00 1.25 0.00 0.00 42.46 41.07 2bis s ILE 54 CO -0.05 -0.04 0.42 -0.60 0.24 0.00 0.00 174.94 174.92 2bis s ARG 55 N -2.59 3.80 -0.03 0.37 3.52 -1.26 -0.96 118.95 121.80 2bis s ARG 55 Ca 0.23 -0.11 0.01 0.00 -0.13 0.00 0.00 55.73 55.73 2bis s ARG 55 Cb -0.09 -3.73 0.02 0.00 -1.56 0.00 0.00 34.95 29.58 2bis s ARG 55 CO 0.14 -0.44 -0.04 0.08 -0.81 0.00 0.00 175.30 174.22 2bis s VAL 56 N 2.16 0.43 -1.50 7.11 1.01 -0.33 -4.84 120.40 124.43 2bis s VAL 56 Ca 0.16 -0.11 -0.03 0.00 0.00 0.00 0.00 61.98 61.99 2bis s VAL 56 Cb -0.16 -0.45 0.03 0.00 0.00 0.00 0.00 36.38 35.80 2bis s VAL 56 CO 0.11 0.18 0.33 0.49 0.00 0.00 0.00 175.10 176.21 2bis n PHE 57 N 3.75 -1.52 -1.00 5.22 3.01 -1.26 -1.93 117.46 123.73 2bis n PHE 57 Ca -0.23 0.71 -0.00 0.00 1.01 0.00 0.00 57.45 58.94 2bis n PHE 57 Cb 0.53 -3.29 -0.00 0.00 -0.01 0.00 0.00 39.48 36.71 2bis n PHE 57 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2bis n GLY 58 N -2.08 0.35 3.20 1.37 0.00 -1.26 -4.98 105.19 101.78 2bis n GLY 58 Ca -0.26 -0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.63 2bis n GLY 58 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2bis s GLU 59 N -0.64 0.91 -0.20 1.61 2.02 -0.81 -5.13 118.70 116.46 2bis s GLU 59 Ca 0.00 -1.34 -0.14 0.00 0.02 0.00 0.00 54.97 53.51 2bis s GLU 59 Cb 0.00 -0.40 -0.04 0.00 0.10 0.00 0.00 34.13 33.79 2bis s GLU 59 CO 0.00 0.03 0.32 -1.21 0.02 0.00 0.00 175.26 174.42 2bis s GLU 60 N -3.62 4.18 -0.13 1.61 2.02 -1.26 -1.19 118.70 120.30 2bis s GLU 60 Ca 0.12 0.08 0.02 0.00 0.02 0.00 0.00 54.97 55.22 2bis s GLU 60 Cb 0.03 -3.51 0.00 0.00 0.10 0.00 0.00 34.13 30.75 2bis s GLU 60 CO -0.02 0.05 -0.20 0.08 0.02 0.00 0.00 175.26 175.19 2bis s VAL 61 N 1.04 2.26 -0.40 2.63 1.01 -0.13 -4.96 120.40 121.85 2bis s VAL 61 Ca 0.16 -0.92 -0.23 0.00 0.00 0.00 0.00 61.98 60.99 2bis s VAL 61 Cb -0.14 -1.91 0.02 0.00 0.00 0.00 0.00 36.38 34.35 2bis s VAL 61 CO 0.06 0.54 0.76 -1.58 0.00 0.00 0.00 175.10 174.88 2bis s GLN 62 N 0.65 3.59 0.07 2.72 2.00 -1.26 -1.24 119.66 126.19 2bis s GLN 62 Ca -0.10 0.09 -0.30 0.00 -2.00 0.00 0.00 55.36 53.05 2bis s GLN 62 Cb -0.16 -3.86 -0.05 0.00 0.80 0.00 0.00 33.01 29.73 2bis s GLN 62 CO 0.02 -0.94 1.11 0.08 -0.50 0.00 0.00 175.29 175.06 2bis s VAL 63 N 3.11 4.25 0.24 1.34 1.01 -0.03 -4.30 120.40 126.02 2bis s VAL 63 Ca 0.29 1.68 0.11 0.00 0.00 0.00 0.00 61.98 64.07 2bis s VAL 63 Cb -0.13 -4.08 -0.05 0.00 0.00 0.00 0.00 36.38 32.13 2bis s VAL 63 CO 0.19 0.17 -0.15 -0.54 0.00 0.00 0.00 175.10 174.77 2bis s LYS 64 N 0.71 1.83 -0.10 2.72 1.02 0.13 -0.94 119.74 125.11 2bis s LYS 64 Ca 0.54 -1.57 -0.04 0.00 0.02 0.00 0.00 55.97 54.93 2bis s LYS 64 Cb -0.27 -1.93 0.05 0.00 -0.52 0.00 0.00 37.83 35.16 2bis s LYS 64 CO 0.30 0.37 0.21 0.08 -0.92 0.00 0.00 175.35 175.39 2bis s VAL 65 N -2.16 -0.13 -0.41 3.17 1.01 -0.68 -0.41 120.40 120.78 2bis s VAL 65 Ca 0.27 0.21 -0.04 0.00 0.00 0.00 0.00 61.98 62.42 2bis s VAL 65 Cb -0.07 -0.34 0.10 0.00 0.00 0.00 0.00 36.38 36.08 2bis s VAL 65 CO 0.15 0.09 0.22 -0.55 0.00 0.00 0.00 175.10 175.00 2bis s SER 66 N 1.57 5.34 0.18 3.32 0.15 -0.03 -2.53 113.70 121.69 2bis s SER 66 Ca -0.06 -1.90 -0.28 0.00 0.70 0.00 0.00 55.95 54.41 2bis s SER 66 Cb -0.11 -1.86 -0.08 0.00 -1.71 0.00 0.00 66.02 62.26 2bis s SER 66 CO -0.07 -0.54 0.89 -0.47 1.20 0.00 0.00 173.24 174.24 2bis s TYR 67 N 1.21 3.91 -0.08 3.44 5.04 -1.26 -2.03 117.35 127.58 2bis s TYR 67 Ca 0.06 1.79 -0.06 0.00 -2.44 0.00 0.00 57.07 56.42 2bis s TYR 67 Cb -0.23 -2.93 0.02 0.00 0.35 0.00 0.00 41.96 39.17 2bis s TYR 67 CO -0.03 0.40 0.20 -2.00 -1.34 0.00 0.00 175.55 172.78 2bis s GLU 68 N -0.80 0.21 -0.04 4.97 2.12 0.95 -4.99 118.70 121.12 2bis s GLU 68 Ca 0.41 0.32 0.03 0.00 0.36 0.00 0.00 54.97 56.08 2bis s GLU 68 Cb -0.24 0.05 0.01 0.00 0.26 0.00 0.00 34.13 34.21 2bis s GLU 68 CO 0.29 -0.06 -0.11 -2.00 -0.54 0.00 0.00 175.26 172.85 2bis s GLU 69 N 0.37 1.28 -0.36 4.30 2.12 -1.26 0.11 118.70 125.26 2bis s GLU 69 Ca -0.02 -0.36 0.02 0.00 0.36 0.00 0.00 54.97 54.96 2bis s GLU 69 Cb -0.04 -1.14 0.15 0.00 0.26 0.00 0.00 34.13 33.37 2bis s GLU 69 CO -0.02 0.09 0.32 1.03 -0.54 0.00 0.00 175.26 176.15 2bis s ARG 70 N 0.36 0.59 7.73 4.30 0.52 0.21 -5.02 118.95 127.65 2bis s ARG 70 Ca -0.07 -0.97 0.00 0.00 -0.52 0.00 0.00 55.73 54.17 2bis s ARG 70 Cb -0.12 -0.90 0.00 0.00 0.52 0.00 0.00 34.95 34.45 2bis s ARG 70 CO 0.02 -1.19 0.00 0.41 0.02 0.00 0.00 175.30 174.55 2bis n GLY 71 N 4.24 3.30 0.12 -3.53 0.00 -1.26 -1.80 105.19 106.26 2bis n GLY 71 Ca 0.11 -0.13 0.13 0.00 0.00 0.00 0.00 46.02 46.12 2bis n GLY 71 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2bis h ASN 72 N 0.00 0.00 -3.31 1.61 2.35 -1.87 -3.44 115.58 110.91 2bis h ASN 72 Ca 0.00 0.00 -0.58 0.00 -0.55 0.00 0.00 56.30 55.17 2bis h ASN 72 Cb 0.00 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 38.30 2bis h ASN 72 CO 0.00 0.00 0.36 -0.22 -1.65 0.00 0.00 177.43 175.92 2bis s LEU 73 N -4.68 4.19 -0.14 1.61 2.96 -0.74 -2.20 118.68 119.67 2bis s LEU 73 Ca 0.09 1.19 0.02 0.00 -0.22 0.00 0.00 54.13 55.21 2bis s LEU 73 Cb 0.11 -3.23 0.01 0.00 0.50 0.00 0.00 46.19 43.58 2bis s LEU 73 CO 0.56 -0.37 -0.20 -0.13 -1.32 0.00 0.00 176.35 174.89 2bis s ARG 74 N 2.01 3.08 -0.20 1.98 0.52 0.11 -0.62 118.95 125.84 2bis s ARG 74 Ca 0.38 -0.83 -0.03 0.00 -0.52 0.00 0.00 55.73 54.74 2bis s ARG 74 Cb -0.17 -2.47 -0.01 0.00 0.52 0.00 0.00 34.95 32.82 2bis s ARG 74 CO 0.13 0.01 -0.06 0.42 0.02 0.00 0.00 175.30 175.82 2bis s ILE 75 N 0.76 3.32 -0.33 1.52 1.01 0.31 -0.82 121.20 126.97 2bis s ILE 75 Ca -0.08 -0.53 -0.04 0.00 0.00 0.00 0.00 60.65 60.01 2bis s ILE 75 Cb -0.16 -2.48 0.05 0.00 0.01 0.00 0.00 42.46 39.88 2bis s ILE 75 CO -0.00 0.45 0.07 -0.31 0.00 0.00 0.00 174.94 175.15 2bis s TYR 76 N 1.16 3.29 -0.48 3.97 1.51 -0.18 -0.04 117.35 126.58 2bis s TYR 76 Ca 0.02 -1.72 -0.19 0.00 -1.01 0.00 0.00 57.07 54.16 2bis s TYR 76 Cb -0.14 -2.29 0.05 0.00 -0.11 0.00 0.00 41.96 39.46 2bis s TYR 76 CO -0.01 -0.79 0.60 1.03 -1.11 0.00 0.00 175.55 175.27 2bis s ARG 77 N 1.31 3.15 -0.26 -0.62 0.52 -0.86 -2.37 118.95 119.82 2bis s ARG 77 Ca -0.02 -0.76 -0.20 0.00 -0.52 0.00 0.00 55.73 54.22 2bis s ARG 77 Cb -0.20 -4.05 -0.02 0.00 0.52 0.00 0.00 34.95 31.21 2bis s ARG 77 CO 0.00 -1.12 0.64 0.42 0.02 0.00 0.00 175.30 175.26 2bis s ILE 78 N 2.60 4.98 0.45 1.52 1.01 -0.11 -0.85 121.20 130.80 2bis s ILE 78 Ca 0.16 1.13 0.07 0.00 0.00 0.00 0.00 60.65 62.01 2bis s ILE 78 Cb -0.18 -3.94 -0.02 0.00 0.01 0.00 0.00 42.46 38.33 2bis s ILE 78 CO 0.14 0.01 0.27 -0.83 0.00 0.00 0.00 174.94 174.53 2bis s GLY 79 N 1.48 2.34 0.00 6.18 0.00 0.45 -0.52 107.32 117.24 2bis s GLY 79 Ca 0.26 -1.76 0.00 0.00 0.00 0.00 0.00 44.72 43.22 2bis s GLY 79 CO 0.09 -1.89 0.00 0.61 0.00 0.00 0.00 173.10 171.91 2bis n GLY 80 N -1.44 -1.72 0.00 0.20 0.00 -1.26 0.22 105.19 101.19 2bis n GLY 80 Ca -0.01 0.75 0.00 0.00 0.00 0.00 0.00 46.02 46.76 2bis n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bis n GLY 81 N 0.00 0.59 0.19 -0.02 0.00 -1.26 -4.67 105.19 100.02 2bis n GLY 81 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.16 2bis n GLY 81 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2bis h LEU 82 N 0.00 0.00 0.00 0.99 3.38 -1.95 -1.91 115.31 115.82 2bis h LEU 82 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2bis h LEU 82 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2bis h LEU 82 CO 0.00 0.00 0.00 0.18 0.09 0.00 0.00 178.44 178.71 2bis n LEU 83 N -2.47 0.00 -0.67 1.67 4.77 -1.26 -2.56 117.00 116.47 2bis n LEU 83 Ca -0.00 0.36 0.11 0.00 -0.03 0.00 0.00 56.01 56.45 2bis n LEU 83 Cb 0.14 -0.36 0.04 0.00 -2.33 0.00 0.00 43.42 40.91 2bis n LEU 83 CO 0.17 -0.12 0.44 0.47 -1.33 0.00 0.00 177.39 177.02 2bis n ASP 84 N -1.36 2.39 -4.75 -1.43 10.43 -0.72 0.01 116.55 121.13 2bis n ASP 84 Ca 0.08 -1.69 -0.41 0.00 2.57 0.00 0.00 54.79 55.33 2bis n ASP 84 Cb 0.19 0.25 -0.03 0.00 1.84 0.00 0.00 41.12 43.37 2bis n ASP 84 CO 0.00 0.00 0.00 -0.94 -1.07 0.00 0.00 177.20 175.19 2bis s SER 85 N -2.12 6.96 0.10 -2.24 1.04 -1.06 -2.59 113.70 113.79 2bis s SER 85 Ca 0.22 2.40 0.25 0.00 0.48 0.00 0.00 55.95 59.30 2bis s SER 85 Cb 0.18 -2.62 0.98 0.00 0.10 0.00 0.00 66.02 64.66 2bis s SER 85 CO 0.41 -0.45 1.79 -0.62 0.98 0.00 0.00 173.24 175.36 2bis n GLU 86 N 2.11 0.11 -2.54 4.02 1.02 -1.25 -3.93 120.64 120.18 2bis n GLU 86 Ca 0.04 0.16 -0.41 0.00 -0.02 0.00 0.00 57.16 56.93 2bis n GLU 86 Cb 0.43 -1.65 -0.03 0.00 -0.02 0.00 0.00 31.44 30.17 2bis n GLU 86 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2bis s ASP 87 N -3.68 6.34 0.10 1.62 -1.08 -1.26 -4.91 116.67 113.79 2bis s ASP 87 Ca 0.11 -1.04 -0.24 0.00 -0.52 0.00 0.00 52.55 50.86 2bis s ASP 87 Cb 0.14 -2.57 -0.08 0.00 -1.46 0.00 0.00 42.92 38.96 2bis s ASP 87 CO 0.50 -1.66 1.40 0.58 0.52 0.00 0.00 175.17 176.51 2bis h VAL 88 N 6.52 0.00 -0.34 1.11 2.07 -1.92 0.37 116.25 124.06 2bis h VAL 88 Ca 0.01 0.00 -0.48 0.00 0.82 0.00 0.00 66.70 67.06 2bis h VAL 88 Cb 1.03 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.73 2bis h VAL 88 CO 1.37 0.00 1.53 -1.22 0.02 0.00 0.00 177.57 179.27 2bis n TYR 89 N -4.65 1.42 0.00 1.57 4.02 -1.26 -4.88 117.16 113.39 2bis n TYR 89 Ca -0.02 -2.28 0.00 0.00 -0.01 0.00 0.00 57.90 55.58 2bis n TYR 89 Cb 0.24 -1.89 0.00 0.00 -0.02 0.00 0.00 39.34 37.67 2bis n TYR 89 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2bis n GLY 90 N 2.48 -2.52 3.58 2.72 0.00 0.13 -4.50 105.19 107.07 2bis n GLY 90 Ca 0.59 -1.25 -0.27 0.00 0.00 0.00 0.00 46.02 45.09 2bis n GLY 90 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2bis s PRO 91 N -5.24 2.39 0.12 1.61 0.02 -1.26 -4.62 135.00 128.02 2bis s PRO 91 Ca 0.00 -1.05 0.00 0.00 0.02 0.00 0.00 61.00 59.97 2bis s PRO 91 Cb 0.00 -5.21 0.00 0.00 0.02 0.00 0.00 34.50 29.31 2bis s PRO 91 CO 0.00 -4.07 0.00 0.41 -0.33 0.00 0.00 177.00 173.01 2bis n GLY 92 N 5.90 -1.57 0.45 0.52 0.00 -1.26 -3.50 105.19 105.73 2bis n GLY 92 Ca 0.44 -1.40 -0.19 0.00 0.00 0.00 0.00 46.02 44.87 2bis n GLY 92 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 2bis h TRP 93 N -0.46 -1.04 -0.72 1.61 2.91 -1.87 0.22 115.95 116.60 2bis h TRP 93 Ca 0.00 -0.02 0.01 0.00 1.13 0.00 0.00 58.89 60.02 2bis h TRP 93 Cb 0.45 0.35 -0.04 0.00 -0.51 0.00 0.00 29.16 29.41 2bis h TRP 93 CO -1.02 -0.64 0.47 0.22 -1.03 0.00 0.00 178.44 176.44 2bis h ASP 94 N -1.11 0.80 -0.87 2.65 3.58 -1.98 -2.41 116.42 117.08 2bis h ASP 94 Ca -0.11 -0.02 0.10 0.00 0.42 0.00 0.00 57.03 57.42 2bis h ASP 94 Cb 0.85 -0.19 -0.07 0.00 1.72 0.00 0.00 39.33 41.63 2bis h ASP 94 CO 0.17 0.57 0.52 1.23 -2.88 0.00 0.00 179.24 178.86 2bis h GLY 95 N 0.95 1.36 1.00 -0.78 0.00 -1.55 -0.18 103.07 103.87 2bis h GLY 95 Ca 0.27 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 47.25 2bis h GLY 95 CO -0.07 0.16 0.03 -2.00 0.00 0.00 0.00 176.54 174.66 2bis h LEU 96 N 0.86 0.05 -0.16 3.11 5.85 -0.07 -0.76 115.31 124.20 2bis h LEU 96 Ca 0.42 -0.00 -0.02 0.00 0.84 0.00 0.00 57.88 59.11 2bis h LEU 96 Cb 0.36 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 2bis h LEU 96 CO -0.24 0.04 0.01 0.40 -0.34 0.00 0.00 178.44 178.31 2bis h ILE 97 N 0.07 1.24 -0.90 4.05 2.04 -1.13 -0.03 117.51 122.85 2bis h ILE 97 Ca 0.02 -0.79 0.14 0.00 1.00 0.00 0.00 64.86 65.23 2bis h ILE 97 Cb -0.01 1.46 -0.07 0.00 -0.74 0.00 0.00 36.82 37.46 2bis h ILE 97 CO -0.01 0.23 0.58 0.03 0.00 0.00 0.00 178.15 178.99 2bis h ARG 98 N 0.03 0.72 -0.44 2.37 3.08 -0.99 0.74 114.38 119.90 2bis h ARG 98 Ca 0.05 -0.04 -0.12 0.00 0.07 0.00 0.00 59.98 59.93 2bis h ARG 98 Cb 0.35 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 2bis h ARG 98 CO 0.01 0.47 -0.22 -0.22 -1.07 0.00 0.00 179.97 178.94 2bis h LYS 99 N 0.74 0.88 -0.46 0.04 3.64 -0.50 -1.75 116.57 119.15 2bis h LYS 99 Ca 0.45 -0.36 -0.08 0.00 -1.27 0.00 0.00 60.65 59.38 2bis h LYS 99 Cb 0.66 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.43 2bis h LYS 99 CO -0.21 1.01 -0.04 0.00 -2.27 0.00 0.00 179.45 177.94 2bis h ALA 100 N 0.99 0.63 -0.30 5.00 0.00 0.75 -1.16 119.26 125.17 2bis h ALA 100 Ca 0.10 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 2bis h ALA 100 Cb 0.76 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 2bis h ALA 100 CO 0.06 0.46 0.04 0.28 0.00 0.00 0.00 179.25 180.10 2bis h VAL 101 N 0.69 1.16 -0.15 0.00 2.07 -0.87 -1.93 116.25 117.21 2bis h VAL 101 Ca 0.13 -0.59 -0.05 0.00 0.82 0.00 0.00 66.70 67.01 2bis h VAL 101 Cb 0.56 0.89 -0.00 0.00 -1.52 0.00 0.00 31.29 31.22 2bis h VAL 101 CO 0.03 0.21 -0.11 0.74 0.02 0.00 0.00 177.57 178.46 2bis h THR 102 N 0.43 1.33 -0.93 2.57 2.02 -1.06 -2.55 112.91 114.72 2bis h THR 102 Ca 0.10 -1.21 0.21 0.00 0.77 0.00 0.00 66.41 66.28 2bis h THR 102 Cb 0.22 1.80 -0.07 0.00 -1.74 0.00 0.00 68.15 68.36 2bis h THR 102 CO 0.00 0.35 0.61 0.15 0.37 0.00 0.00 175.52 177.00 2bis h PHE 103 N -0.02 0.60 0.07 3.16 3.57 -0.87 0.72 116.94 124.16 2bis h PHE 103 Ca 0.03 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.54 2bis h PHE 103 Cb 0.61 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 39.16 2bis h PHE 103 CO 0.07 0.15 -0.03 0.78 -2.23 0.00 0.00 178.31 177.05 2bis h GLY 104 N 0.44 -0.09 1.21 2.40 0.00 -1.03 0.41 103.07 106.42 2bis h GLY 104 Ca 0.49 0.03 -0.05 0.00 0.00 0.00 0.00 47.33 47.80 2bis h GLY 104 CO -0.20 -0.03 0.20 3.21 0.00 0.00 0.00 176.54 179.72 2bis h ARG 105 N -0.49 0.99 -0.15 4.80 -0.00 -1.04 -2.34 114.38 116.16 2bis h ARG 105 Ca -0.01 -0.20 -0.19 0.00 -0.50 0.00 0.00 59.98 59.08 2bis h ARG 105 Cb 0.43 -0.15 -0.00 0.00 0.00 0.00 0.00 29.97 30.25 2bis h ARG 105 CO 0.01 0.85 -0.68 0.00 0.00 0.00 0.00 179.97 180.15 2bis h ALA 106 N 1.26 0.52 -0.37 0.04 0.00 -0.85 -1.60 119.26 118.27 2bis h ALA 106 Ca 0.21 -0.57 0.07 0.00 0.00 0.00 0.00 54.91 54.62 2bis h ALA 106 Cb 0.27 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 17.94 2bis h ALA 106 CO -0.01 0.71 -0.06 0.77 0.00 0.00 0.00 179.25 180.67 2bis h SER 107 N 0.43 -0.27 -0.14 0.00 0.02 -0.01 -1.97 113.55 111.62 2bis h SER 107 Ca -0.02 0.10 -0.00 0.00 -0.84 0.00 0.00 61.79 61.03 2bis h SER 107 Cb 1.27 0.20 -0.01 0.00 0.14 0.00 0.00 62.40 64.00 2bis h SER 107 CO 0.13 -0.09 0.08 0.58 -1.14 0.00 0.00 176.83 176.39 2bis h VAL 108 N 0.04 1.06 -0.99 2.27 2.07 -1.17 -0.42 116.25 119.11 2bis h VAL 108 Ca 0.18 -0.14 0.09 0.00 0.82 0.00 0.00 66.70 67.64 2bis h VAL 108 Cb 0.27 0.91 -0.07 0.00 -1.52 0.00 0.00 31.29 30.88 2bis h VAL 108 CO -0.35 0.06 0.63 0.25 0.02 0.00 0.00 177.57 178.17 2bis h LEU 109 N 0.16 0.97 -0.08 2.57 5.85 -1.14 0.93 115.31 124.57 2bis h LEU 109 Ca 0.05 0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.75 2bis h LEU 109 Cb 0.02 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 40.87 2bis h LEU 109 CO -0.01 0.58 -0.13 0.25 -0.34 0.00 0.00 178.44 178.80 2bis h LEU 110 N 1.08 0.24 -0.38 2.25 5.85 -1.07 -2.04 115.31 121.24 2bis h LEU 110 Ca 0.45 -0.54 0.02 0.00 0.84 0.00 0.00 57.88 58.64 2bis h LEU 110 Cb 0.29 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 2bis h LEU 110 CO -0.20 0.74 0.22 0.25 -0.34 0.00 0.00 178.44 179.12 2bis h LEU 111 N -0.25 0.36 -1.32 2.25 5.85 -0.81 -1.35 115.31 120.05 2bis h LEU 111 Ca 0.01 0.00 0.06 0.00 0.84 0.00 0.00 57.88 58.78 2bis h LEU 111 Cb 0.69 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 41.60 2bis h LEU 111 CO 0.03 0.26 0.50 -1.13 -0.34 0.00 0.00 178.44 177.76 2bis h ASN 112 N 0.46 0.73 -0.27 1.25 -0.00 -0.83 -1.43 115.58 115.49 2bis h ASN 112 Ca 0.15 0.00 -0.09 0.00 -0.00 0.00 0.00 56.30 56.36 2bis h ASN 112 Cb 0.00 -0.16 -0.01 0.00 -0.00 0.00 0.00 38.32 38.16 2bis h ASN 112 CO -0.07 0.48 -0.19 -0.78 -0.00 0.00 0.00 177.43 176.88 2bis h ASP 113 N 0.84 0.63 0.00 1.15 3.58 -0.79 -3.00 116.42 118.84 2bis h ASP 113 Ca 0.32 -0.44 -0.04 0.00 0.42 0.00 0.00 57.03 57.29 2bis h ASP 113 Cb 0.20 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 41.06 2bis h ASP 113 CO -0.11 0.93 -0.09 -0.07 -2.88 0.00 0.00 179.24 177.02 2bis h LEU 114 N 0.33 0.20 -0.01 2.28 3.38 -0.66 -2.93 115.31 117.90 2bis h LEU 114 Ca 0.05 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2bis h LEU 114 Cb 0.72 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.42 2bis h LEU 114 CO 0.05 0.33 0.00 0.18 0.09 0.00 0.00 178.44 179.09 2bis n LEU 115 N -4.32 0.01 0.13 1.67 4.77 -0.59 -1.37 117.00 117.30 2bis n LEU 115 Ca -0.01 0.50 0.03 0.00 -0.03 0.00 0.00 56.01 56.50 2bis n LEU 115 Cb 0.24 -0.50 0.40 0.00 -2.33 0.00 0.00 43.42 41.22 2bis n LEU 115 CO 0.37 -0.33 0.89 0.03 -1.33 0.00 0.00 177.39 177.02 2bis h ARG 116 N 0.00 0.21 0.00 3.23 3.08 -1.60 -3.35 114.38 115.95 2bis h ARG 116 Ca 0.00 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.00 2bis h ARG 116 Cb 0.18 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.20 2bis h ARG 116 CO 0.00 0.36 0.00 0.39 -1.07 0.00 0.00 179.97 179.65 2bis n GLU 117 N -4.28 1.57 -3.48 0.04 -0.58 -0.47 -5.09 120.64 108.36 2bis n GLU 117 Ca -0.01 -1.02 -0.11 0.00 -0.42 0.00 0.00 57.16 55.60 2bis n GLU 117 Cb 0.27 -0.79 -0.02 0.00 -0.57 0.00 0.00 31.44 30.33 2bis n GLU 117 CO 0.00 0.00 0.00 -1.83 -0.48 0.00 0.00 177.13 174.82 2bis s GLU 118 N -0.54 1.29 0.46 3.49 -1.05 -1.00 -5.15 118.70 116.21 2bis s GLU 118 Ca 0.00 -0.51 -0.22 0.00 -0.15 0.00 0.00 54.97 54.08 2bis s GLU 118 Cb 0.00 0.57 -0.08 0.00 -0.44 0.00 0.00 34.13 34.18 2bis s GLU 118 CO 0.00 -0.57 1.10 -2.14 0.95 0.00 0.00 175.26 174.60 2bis s PRO 119 N -3.71 3.83 0.23 -4.83 0.02 -1.26 -4.43 135.00 124.85 2bis s PRO 119 Ca 0.02 1.60 -0.28 0.00 0.02 0.00 0.00 61.00 62.36 2bis s PRO 119 Cb -0.02 -2.33 -0.16 0.00 0.02 0.00 0.00 34.50 32.01 2bis s PRO 119 CO -0.10 -0.45 0.64 -0.11 -0.33 0.00 0.00 177.00 176.64 2bis n LEU 120 N -0.56 -0.47 -4.75 -5.54 7.94 -1.26 -4.93 117.00 107.42 2bis n LEU 120 Ca 0.08 1.13 -0.38 0.00 -1.11 0.00 0.00 56.01 55.72 2bis n LEU 120 Cb 0.50 -1.04 0.03 0.00 0.53 0.00 0.00 43.42 43.44 2bis n LEU 120 CO 0.45 -2.61 0.95 -2.84 -1.11 0.00 0.00 177.39 172.23 2bis s PRO 121 N -1.16 3.20 0.56 1.96 0.02 -1.26 -4.92 135.00 133.40 2bis s PRO 121 Ca 0.62 2.14 0.34 0.00 0.02 0.00 0.00 61.00 64.13 2bis s PRO 121 Cb -0.85 -2.25 1.53 0.00 0.02 0.00 0.00 34.50 32.95 2bis s PRO 121 CO 0.57 -1.11 2.05 -0.44 -0.33 0.00 0.00 177.00 177.74 2bis h ASP 122 N 1.49 0.00 -4.05 2.53 3.32 -1.15 -3.46 116.42 115.10 2bis h ASP 122 Ca -0.51 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.54 2bis h ASP 122 Cb 1.29 0.00 -0.22 0.00 0.22 0.00 0.00 39.33 40.62 2bis h ASP 122 CO 0.57 0.03 0.27 0.54 -1.72 0.00 0.00 179.24 178.94 2bis s VAL 123 N -3.80 0.00 -0.29 -1.35 0.11 -1.17 -4.26 120.40 109.64 2bis s VAL 123 Ca -0.00 0.00 -0.11 0.00 -2.93 0.00 0.00 61.98 58.94 2bis s VAL 123 Cb 0.10 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.91 2bis s VAL 123 CO 0.53 0.00 0.19 0.54 -3.33 0.00 0.00 175.10 173.03 2bis s VAL 124 N -0.20 5.15 -0.40 2.04 0.11 -0.46 -0.59 120.40 126.05 2bis s VAL 124 Ca -0.02 0.02 -0.00 0.00 -2.93 0.00 0.00 61.98 59.05 2bis s VAL 124 Cb -0.03 -3.50 0.11 0.00 -1.53 0.00 0.00 36.38 31.42 2bis s VAL 124 CO 0.01 0.19 0.16 -2.28 -3.33 0.00 0.00 175.10 169.86 2bis s HIS 125 N 1.73 3.63 0.14 1.54 5.04 0.46 -1.58 115.29 126.25 2bis s HIS 125 Ca 0.07 -2.67 0.06 0.00 -1.54 0.00 0.00 55.06 50.97 2bis s HIS 125 Cb -0.16 -3.10 -0.04 0.00 0.04 0.00 0.00 32.58 29.31 2bis s HIS 125 CO 0.10 -0.95 0.04 -0.59 -2.34 0.00 0.00 174.74 171.00 2bis s PHE 126 N 0.95 2.98 -0.07 3.88 -0.12 -0.82 -1.02 117.98 123.76 2bis s PHE 126 Ca 0.10 -0.06 0.01 0.00 -0.05 0.00 0.00 56.93 56.93 2bis s PHE 126 Cb -0.21 -1.47 0.02 0.00 -0.63 0.00 0.00 43.02 40.72 2bis s PHE 126 CO -0.05 0.51 -0.10 -1.01 -0.05 0.00 0.00 175.22 174.52 2bis s HIS 127 N -1.60 1.33 0.37 3.49 3.76 -0.91 -1.37 115.29 120.38 2bis s HIS 127 Ca 0.28 -0.52 0.00 0.00 -0.15 0.00 0.00 55.06 54.67 2bis s HIS 127 Cb -0.10 -1.04 0.00 0.00 1.11 0.00 0.00 32.58 32.55 2bis s HIS 127 CO 0.20 -0.32 0.00 -0.25 -0.85 0.00 0.00 174.74 173.52 2bis n ASP 128 N 4.14 -5.73 0.25 1.40 8.00 -0.14 -4.14 116.55 120.34 2bis n ASP 128 Ca -0.21 0.83 0.13 0.00 0.71 0.00 0.00 54.79 56.26 2bis n ASP 128 Cb 0.51 -3.79 0.58 0.00 -0.02 0.00 0.00 41.12 38.40 2bis n ASP 128 CO 0.00 0.00 0.00 4.11 -0.39 0.00 0.00 177.20 180.92 2bis h TRP 129 N -1.29 0.00 -0.40 1.24 5.08 -1.92 -2.76 115.95 115.89 2bis h TRP 129 Ca -0.09 0.00 0.12 0.00 1.08 0.00 0.00 58.89 59.99 2bis h TRP 129 Cb 1.14 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 27.28 2bis h TRP 129 CO 0.02 0.13 0.30 0.45 -1.28 0.00 0.00 178.44 178.05 2bis h HIS 130 N 0.00 0.00 -0.47 0.12 3.86 -1.98 -2.33 115.15 114.36 2bis h HIS 130 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2bis h HIS 130 Cb 0.60 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.07 2bis h HIS 130 CO 0.00 0.00 0.00 0.25 0.86 0.00 0.00 177.93 179.04 2bis n THR 131 N -4.35 0.88 0.09 2.45 -2.24 -1.04 -4.56 114.28 105.50 2bis n THR 131 Ca 0.07 -0.70 -0.08 0.00 -2.27 0.00 0.00 64.05 61.06 2bis n THR 131 Cb 0.49 0.19 -0.00 0.00 -2.10 0.00 0.00 70.33 68.91 2bis n THR 131 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 2bis h VAL 132 N 2.81 1.51 -0.40 2.28 2.07 -1.60 -0.38 116.25 122.54 2bis h VAL 132 Ca 0.00 -2.66 -0.01 0.00 0.82 0.00 0.00 66.70 64.85 2bis h VAL 132 Cb 0.81 2.48 -0.02 0.00 -1.52 0.00 0.00 31.29 33.04 2bis h VAL 132 CO 0.06 0.77 0.20 -0.26 0.02 0.00 0.00 177.57 178.36 2bis h PHE 133 N 0.09 0.57 0.48 1.57 -1.00 -1.81 0.07 116.94 116.90 2bis h PHE 133 Ca -0.04 -0.03 -0.02 0.00 2.81 0.00 0.00 57.97 60.70 2bis h PHE 133 Cb 1.50 -0.18 -0.00 0.00 3.61 0.00 0.00 35.95 40.88 2bis h PHE 133 CO 0.02 0.47 -0.26 0.00 -1.61 0.00 0.00 178.31 176.93 2bis h ALA 134 N 1.05 -0.69 -0.39 2.45 0.00 -1.75 -1.86 119.26 118.06 2bis h ALA 134 Ca 0.14 -0.14 0.08 0.00 0.00 0.00 0.00 54.91 54.98 2bis h ALA 134 Cb 0.11 0.31 -0.07 0.00 0.00 0.00 0.00 17.79 18.14 2bis h ALA 134 CO -0.02 -0.90 -0.04 0.78 0.00 0.00 0.00 179.25 179.07 2bis h GLY 135 N -0.69 0.34 1.45 0.00 0.00 -1.01 -1.44 103.07 101.72 2bis h GLY 135 Ca -0.06 0.08 -0.12 0.00 0.00 0.00 0.00 47.33 47.23 2bis h GLY 135 CO 0.08 -0.12 -0.32 0.00 0.00 0.00 0.00 176.54 176.18 2bis h ALA 136 N 1.37 0.90 -0.25 3.60 0.00 -0.99 -1.50 119.26 122.38 2bis h ALA 136 Ca 0.19 -0.40 -0.20 0.00 0.00 0.00 0.00 54.91 54.50 2bis h ALA 136 Cb 0.28 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2bis h ALA 136 CO -0.36 0.62 -0.61 -0.07 0.00 0.00 0.00 179.25 178.83 2bis h LEU 137 N 0.53 0.96 -0.27 0.00 3.38 -1.15 0.74 115.31 119.49 2bis h LEU 137 Ca 0.06 -0.54 -0.05 0.00 0.09 0.00 0.00 57.88 57.44 2bis h LEU 137 Cb 0.81 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 2bis h LEU 137 CO 0.07 1.34 -0.03 0.40 0.09 0.00 0.00 178.44 180.31 2bis h ILE 138 N 0.63 1.27 -0.76 1.22 2.04 -1.11 -2.14 117.51 118.65 2bis h ILE 138 Ca -0.00 -1.00 -0.00 0.00 1.00 0.00 0.00 64.86 64.86 2bis h ILE 138 Cb 1.23 1.38 -0.04 0.00 -0.74 0.00 0.00 36.82 38.65 2bis h ILE 138 CO 0.13 0.32 0.46 0.50 0.00 0.00 0.00 178.15 179.56 2bis h LYS 139 N 0.26 1.03 -0.09 2.37 1.63 -1.27 0.32 116.57 120.82 2bis h LYS 139 Ca 0.07 -0.09 0.00 0.00 -0.85 0.00 0.00 60.65 59.78 2bis h LYS 139 Cb 0.48 -0.22 -0.01 0.00 -0.60 0.00 0.00 32.23 31.88 2bis h LYS 139 CO 0.02 0.73 0.05 -0.22 -3.45 0.00 0.00 179.45 176.58 2bis h LYS 140 N 1.04 0.11 0.03 1.90 3.64 -0.62 -2.10 116.57 120.56 2bis h LYS 140 Ca 0.27 -0.01 -0.36 0.00 -1.27 0.00 0.00 60.65 59.29 2bis h LYS 140 Cb -0.04 -0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 31.70 2bis h LYS 140 CO -0.05 0.07 -2.19 0.66 -2.27 0.00 0.00 179.45 175.67 2bis n TYR 141 N -5.04 0.47 0.39 1.91 4.02 -0.82 -4.39 117.16 113.69 2bis n TYR 141 Ca -0.05 0.13 0.12 0.00 -0.01 0.00 0.00 57.90 58.09 2bis n TYR 141 Cb 0.03 -1.07 0.23 0.00 -0.02 0.00 0.00 39.34 38.52 2bis n TYR 141 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 2bis n PHE 142 N -3.11 0.49 -3.94 -0.72 3.01 0.11 -4.97 117.46 108.33 2bis n PHE 142 Ca -0.33 -0.24 -0.29 0.00 1.01 0.00 0.00 57.45 57.59 2bis n PHE 142 Cb 1.07 0.00 -0.07 0.00 -0.01 0.00 0.00 39.48 40.46 2bis n PHE 142 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 2bis n LYS 143 N 1.39 -0.86 -4.21 -1.08 4.76 -0.79 -4.91 118.16 112.46 2bis n LYS 143 Ca 0.19 0.09 -0.33 0.00 -2.87 0.00 0.00 58.31 55.39 2bis n LYS 143 Cb 0.58 -3.28 -0.08 0.00 -1.84 0.00 0.00 35.03 30.41 2bis n LYS 143 CO 0.00 0.00 0.00 -1.50 -1.37 0.00 0.00 177.40 174.53 2bis s ILE 144 N -3.47 4.45 0.19 -0.18 2.07 -1.26 -5.05 121.20 117.95 2bis s ILE 144 Ca 0.32 -0.45 -0.33 0.00 -1.41 0.00 0.00 60.65 58.79 2bis s ILE 144 Cb -0.19 -2.99 -0.14 0.00 0.13 0.00 0.00 42.46 39.27 2bis s ILE 144 CO 0.81 0.41 1.44 -2.65 -1.91 0.00 0.00 174.94 173.03 2bis n PRO 145 N 1.43 1.90 -5.08 3.50 -0.02 -1.26 -4.74 135.00 130.73 2bis n PRO 145 Ca -0.15 0.68 -0.32 0.00 -2.02 0.00 0.00 63.50 61.69 2bis n PRO 145 Cb 0.53 -2.36 -0.16 0.00 -0.02 0.00 0.00 33.50 31.49 2bis n PRO 145 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2bis s ALA 146 N 0.34 2.33 -0.18 3.55 0.00 -1.26 -1.35 121.76 125.19 2bis s ALA 146 Ca 0.74 -0.96 0.01 0.00 0.00 0.00 0.00 51.96 51.75 2bis s ALA 146 Cb -0.71 -0.91 0.02 0.00 0.00 0.00 0.00 23.12 21.52 2bis s ALA 146 CO 0.45 0.32 -0.20 0.08 0.00 0.00 0.00 175.76 176.42 2bis s VAL 147 N 0.16 2.10 -0.28 0.00 1.01 -0.62 -0.49 120.40 122.29 2bis s VAL 147 Ca -0.11 -0.93 -0.10 0.00 0.00 0.00 0.00 61.98 60.84 2bis s VAL 147 Cb -0.16 -1.88 -0.04 0.00 0.00 0.00 0.00 36.38 34.30 2bis s VAL 147 CO 0.06 0.54 0.16 0.12 0.00 0.00 0.00 175.10 175.98 2bis s PHE 148 N 1.28 3.18 -0.20 5.22 5.36 -0.73 -1.95 117.98 130.16 2bis s PHE 148 Ca 0.05 -0.09 -0.04 0.00 -0.96 0.00 0.00 56.93 55.89 2bis s PHE 148 Cb -0.13 -2.35 -0.02 0.00 -0.34 0.00 0.00 43.02 40.19 2bis s PHE 148 CO -0.13 -0.25 -0.04 0.99 -1.46 0.00 0.00 175.22 174.34 2bis s THR 149 N 1.71 3.54 -0.21 0.12 2.01 -0.47 -0.37 115.64 121.97 2bis s THR 149 Ca 0.07 -0.45 -0.08 0.00 0.31 0.00 0.00 61.69 61.54 2bis s THR 149 Cb -0.16 -2.59 -0.04 0.00 0.01 0.00 0.00 72.50 69.72 2bis s THR 149 CO 0.09 0.44 0.08 -0.63 -0.69 0.00 0.00 174.62 173.91 2bis s ILE 150 N 1.09 4.72 -0.35 1.82 1.01 -0.20 -0.96 121.20 128.33 2bis s ILE 150 Ca 0.01 -0.05 0.23 0.00 0.00 0.00 0.00 60.65 60.84 2bis s ILE 150 Cb -0.15 -3.16 -0.11 0.00 0.01 0.00 0.00 42.46 39.05 2bis s ILE 150 CO 0.00 0.41 0.93 1.41 0.00 0.00 0.00 174.94 177.69 2bis n HIS 151 N 4.06 0.49 -3.65 3.97 8.25 -1.26 -3.74 115.22 123.34 2bis n HIS 151 Ca -0.16 0.14 0.02 0.00 -0.26 0.00 0.00 57.72 57.46 2bis n HIS 151 Cb 0.52 -0.66 -0.06 0.00 1.12 0.00 0.00 29.99 30.91 2bis n HIS 151 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 2bis s ARG 152 N -3.33 0.06 -0.17 -0.41 3.52 -1.26 -4.81 118.95 112.56 2bis s ARG 152 Ca -0.00 0.11 -0.29 0.00 -0.13 0.00 0.00 55.73 55.41 2bis s ARG 152 Cb 0.12 0.01 -0.01 0.00 -1.56 0.00 0.00 34.95 33.52 2bis s ARG 152 CO 0.82 -0.01 1.12 -1.17 -0.81 0.00 0.00 175.30 175.25 2bis s LEU 153 N 1.01 4.17 0.03 -0.88 2.96 -1.26 -4.93 118.68 119.79 2bis s LEU 153 Ca -0.08 1.56 0.24 0.00 -0.22 0.00 0.00 54.13 55.63 2bis s LEU 153 Cb -0.02 -3.54 0.28 0.00 0.50 0.00 0.00 46.19 43.40 2bis s LEU 153 CO -0.10 -0.65 1.24 -3.20 -1.32 0.00 0.00 176.35 172.32 2bis n ASN 154 N 6.04 0.62 -4.05 3.68 4.05 -1.26 -5.00 115.26 119.33 2bis n ASN 154 Ca 0.12 -0.29 -0.27 0.00 0.45 0.00 0.00 54.58 54.59 2bis n ASN 154 Cb 0.46 0.47 -0.04 0.00 1.23 0.00 0.00 39.78 41.90 2bis n ASN 154 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 177.26 174.50 2bis n LYS 155 N -1.69 -2.68 -0.65 1.20 5.02 -1.26 -4.96 118.16 113.14 2bis n LYS 155 Ca 0.04 0.32 0.00 0.00 -2.02 0.00 0.00 58.31 56.65 2bis n LYS 155 Cb 0.37 -4.29 0.00 0.00 -0.02 0.00 0.00 35.03 31.09 2bis n LYS 155 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 2bis n SER 156 N -2.96 0.00 -4.14 4.39 3.41 -1.26 -5.19 113.62 107.87 2bis n SER 156 Ca -0.31 -0.37 -0.10 0.00 -0.26 0.00 0.00 58.87 57.83 2bis n SER 156 Cb 0.69 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.54 2bis n SER 156 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2bis s LYS 157 N -0.11 1.03 0.09 4.33 1.02 -1.26 -4.42 119.74 120.42 2bis s LYS 157 Ca 0.00 -1.46 0.06 0.00 0.02 0.00 0.00 55.97 54.59 2bis s LYS 157 Cb 0.00 0.27 -0.03 0.00 -0.52 0.00 0.00 37.83 37.55 2bis s LYS 157 CO 0.00 -0.32 -0.15 -0.51 -0.92 0.00 0.00 175.35 173.45 2bis s LEU 158 N -3.07 2.32 0.52 3.17 1.43 -0.62 -4.92 118.68 117.52 2bis s LEU 158 Ca 0.27 -0.69 -0.23 0.00 -1.03 0.00 0.00 54.13 52.45 2bis s LEU 158 Cb 0.07 -0.60 -0.06 0.00 0.03 0.00 0.00 46.19 45.63 2bis s LEU 158 CO 0.04 -0.07 1.39 -2.65 0.23 0.00 0.00 176.35 175.29 2bis n PRO 159 N 1.01 1.87 -0.36 1.29 -0.02 -1.26 -1.57 135.00 135.95 2bis n PRO 159 Ca -0.19 0.68 0.30 0.00 -2.02 0.00 0.00 63.50 62.27 2bis n PRO 159 Cb 0.55 -2.60 0.61 0.00 -0.02 0.00 0.00 33.50 32.04 2bis n PRO 159 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2bis h ALA 160 N 1.69 2.63 -0.92 3.55 0.00 -0.97 -3.00 119.26 122.25 2bis h ALA 160 Ca -0.51 0.04 0.18 0.00 0.00 0.00 0.00 54.91 54.62 2bis h ALA 160 Cb 1.29 0.08 -0.17 0.00 0.00 0.00 0.00 17.79 19.00 2bis h ALA 160 CO 0.58 -1.07 -0.25 0.35 0.00 0.00 0.00 179.25 178.87 2bis h PHE 161 N 0.21 -0.55 0.00 0.00 3.57 -1.90 -0.27 116.94 118.00 2bis h PHE 161 Ca 0.64 0.08 -0.07 0.00 3.53 0.00 0.00 57.97 62.16 2bis h PHE 161 Cb 2.00 0.38 -0.01 0.00 2.79 0.00 0.00 35.95 41.12 2bis h PHE 161 CO -0.00 -0.40 -0.33 1.88 -2.23 0.00 0.00 178.31 177.23 2bis h TYR 162 N -0.00 0.00 -0.22 0.41 -1.99 -1.91 -1.65 116.97 111.59 2bis h TYR 162 Ca 0.43 0.00 -0.20 0.00 2.00 0.00 0.00 58.73 60.96 2bis h TYR 162 Cb 0.66 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.39 2bis h TYR 162 CO -0.72 0.33 -0.63 0.74 -0.00 0.00 0.00 178.16 177.87 2bis h PHE 163 N 0.00 1.02 -0.47 4.88 -1.00 -1.25 -1.49 116.94 118.64 2bis h PHE 163 Ca -0.00 -0.39 -0.00 0.00 2.81 0.00 0.00 57.97 60.38 2bis h PHE 163 Cb 0.65 -0.18 -0.02 0.00 3.61 0.00 0.00 35.95 40.01 2bis h PHE 163 CO 0.00 1.21 0.28 0.45 -1.61 0.00 0.00 178.31 178.64 2bis h HIS 164 N 0.58 0.62 -0.02 -0.55 3.86 -1.00 0.40 115.15 119.04 2bis h HIS 164 Ca -0.01 -0.00 -0.11 0.00 -1.16 0.00 0.00 60.37 59.08 2bis h HIS 164 Cb 1.24 -0.20 -0.02 0.00 1.06 0.00 0.00 27.41 29.49 2bis h HIS 164 CO 0.07 0.43 -0.52 0.93 0.86 0.00 0.00 177.93 179.71 2bis h GLU 165 N 0.62 0.04 0.00 2.45 4.39 -1.33 -2.79 114.58 117.96 2bis h GLU 165 Ca 0.17 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.84 2bis h GLU 165 Cb -0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 2bis h GLU 165 CO -0.03 0.55 0.00 0.00 -1.16 0.00 0.00 179.01 178.37 2bis h ALA 166 N 1.44 1.00 0.00 3.43 0.00 -1.14 -3.44 119.26 120.55 2bis h ALA 166 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2bis h ALA 166 Cb 0.93 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.72 2bis h ALA 166 CO 0.07 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.73 2bis n GLY 167 N 0.02 1.13 2.47 0.00 0.00 -1.00 -4.92 105.19 102.89 2bis n GLY 167 Ca 0.01 -0.43 -0.12 0.00 0.00 0.00 0.00 46.02 45.48 2bis n GLY 167 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2bis n LEU 168 N 0.00 3.12 -0.23 0.99 4.77 0.10 -4.89 117.00 120.85 2bis n LEU 168 Ca 0.00 -3.87 0.02 0.00 -0.03 0.00 0.00 56.01 52.13 2bis n LEU 168 Cb 0.18 0.09 0.14 0.00 -2.33 0.00 0.00 43.42 41.51 2bis n LEU 168 CO 0.00 1.56 1.02 0.28 -1.33 0.00 0.00 177.39 178.92 2bis h SER 169 N 2.44 0.32 -0.07 -1.43 0.02 -1.83 -0.93 113.55 112.07 2bis h SER 169 Ca 0.10 0.08 0.02 0.00 -0.84 0.00 0.00 61.79 61.15 2bis h SER 169 Cb 1.37 0.04 -0.00 0.00 0.14 0.00 0.00 62.40 63.95 2bis h SER 169 CO 0.47 0.17 0.36 1.05 -1.14 0.00 0.00 176.83 177.74 2bis h GLU 170 N 0.48 0.00 -0.07 3.45 9.09 -1.92 0.60 114.58 126.21 2bis h GLU 170 Ca 0.35 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.76 2bis h GLU 170 Cb 0.45 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.55 2bis h GLU 170 CO -0.32 0.00 0.00 1.28 0.05 0.00 0.00 179.01 180.02 2bis n LEU 171 N -3.02 1.16 -3.45 3.06 4.77 -0.35 -4.45 117.00 114.73 2bis n LEU 171 Ca -0.00 -0.44 -0.26 0.00 -0.03 0.00 0.00 56.01 55.27 2bis n LEU 171 Cb 0.43 -0.04 -0.09 0.00 -2.33 0.00 0.00 43.42 41.39 2bis n LEU 171 CO 0.15 0.22 -0.14 0.00 -1.33 0.00 0.00 177.39 176.30 2bis n ALA 172 N -0.06 3.21 -0.12 -1.18 0.00 0.21 -4.90 120.51 117.68 2bis n ALA 172 Ca 0.18 -3.98 -0.09 0.00 0.00 0.00 0.00 53.44 49.55 2bis n ALA 172 Cb 0.27 -0.87 0.05 0.00 0.00 0.00 0.00 19.45 18.90 2bis n ALA 172 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2bis h PRO 173 N 4.68 0.87 -6.72 0.00 0.13 -1.78 -3.46 132.00 125.72 2bis h PRO 173 Ca 0.17 -0.37 -0.46 0.00 -0.87 0.00 0.00 66.00 64.47 2bis h PRO 173 Cb 0.79 -0.03 0.03 0.00 0.13 0.00 0.00 31.00 31.92 2bis h PRO 173 CO 0.61 1.01 -0.08 0.71 -0.23 0.00 0.00 178.00 180.02 2bis s TYR 174 N -4.61 3.21 0.31 1.56 4.12 -1.26 -4.99 117.35 115.69 2bis s TYR 174 Ca -0.10 0.24 0.26 0.00 0.02 0.00 0.00 57.07 57.50 2bis s TYR 174 Cb 0.13 -2.35 1.26 0.00 -1.52 0.00 0.00 41.96 39.48 2bis s TYR 174 CO 0.85 -0.39 1.98 -1.35 0.02 0.00 0.00 175.55 176.66 2bis h PRO 175 N 0.36 0.00 -5.06 -1.71 0.11 -1.96 -3.41 132.00 120.33 2bis h PRO 175 Ca -0.46 0.00 -0.45 0.00 0.11 0.00 0.00 66.00 65.20 2bis h PRO 175 Cb 1.25 0.00 -0.29 0.00 0.11 0.00 0.00 31.00 32.07 2bis h PRO 175 CO 0.57 0.16 -0.80 -0.51 -0.21 0.00 0.00 178.00 177.21 2bis s ASP 176 N -6.15 1.42 -0.04 -2.05 1.01 -1.26 -0.41 116.67 109.20 2bis s ASP 176 Ca -0.02 -0.22 0.02 0.00 0.71 0.00 0.00 52.55 53.04 2bis s ASP 176 Cb 0.12 -0.17 0.01 0.00 1.01 0.00 0.00 42.92 43.89 2bis s ASP 176 CO 0.60 0.15 -0.08 -0.63 0.21 0.00 0.00 175.17 175.41 2bis s ILE 177 N -0.26 0.78 -0.39 0.77 1.09 -0.61 -4.93 121.20 117.65 2bis s ILE 177 Ca 0.04 -0.31 -0.29 0.00 -1.10 0.00 0.00 60.65 58.99 2bis s ILE 177 Cb -0.05 -0.73 0.01 0.00 -1.06 0.00 0.00 42.46 40.63 2bis s ILE 177 CO -0.00 0.26 1.46 -0.62 -0.10 0.00 0.00 174.94 175.93 2bis s ASP 178 N 0.50 6.30 0.60 3.58 -1.08 -1.26 -1.58 116.67 123.74 2bis s ASP 178 Ca -0.08 0.92 0.38 0.00 -0.52 0.00 0.00 52.55 53.25 2bis s ASP 178 Cb -0.12 -2.54 1.87 0.00 -1.46 0.00 0.00 42.92 40.68 2bis s ASP 178 CO 0.01 -1.44 2.17 1.55 0.52 0.00 0.00 175.17 177.98 2bis h PRO 179 N 10.88 0.00 -0.10 4.34 0.13 -1.95 -2.09 132.00 143.22 2bis h PRO 179 Ca -0.28 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.69 2bis h PRO 179 Cb 1.11 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.23 2bis h PRO 179 CO 1.08 0.01 -0.63 0.93 -0.23 0.00 0.00 178.00 179.15 2bis h GLU 180 N 0.00 0.35 -0.15 0.86 5.08 -1.90 -1.26 114.58 117.56 2bis h GLU 180 Ca -0.00 -0.25 -0.04 0.00 -1.00 0.00 0.00 59.36 58.07 2bis h GLU 180 Cb 0.26 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.55 2bis h GLU 180 CO 0.00 0.87 -0.05 1.25 -1.00 0.00 0.00 179.01 180.08 2bis h HIS 181 N 0.26 0.34 -0.29 4.33 2.76 -1.83 -2.88 115.15 117.83 2bis h HIS 181 Ca -0.01 -0.08 0.06 0.00 -2.20 0.00 0.00 60.37 58.15 2bis h HIS 181 Cb 1.16 -0.08 -0.07 0.00 1.55 0.00 0.00 27.41 29.98 2bis h HIS 181 CO 0.03 0.60 -0.15 1.15 -1.30 0.00 0.00 177.93 178.26 2bis h THR 182 N -0.02 0.54 -0.84 6.26 2.02 -1.35 0.53 112.91 120.04 2bis h THR 182 Ca 0.04 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.23 2bis h THR 182 Cb 0.50 0.54 -0.04 0.00 -1.74 0.00 0.00 68.15 67.41 2bis h THR 182 CO 0.02 0.00 0.55 1.23 0.37 0.00 0.00 175.52 177.69 2bis h GLY 183 N -0.11 1.20 1.80 2.16 0.00 -1.32 -2.09 103.07 104.71 2bis h GLY 183 Ca 0.15 -0.43 -0.14 0.00 0.00 0.00 0.00 47.33 46.90 2bis h GLY 183 CO -0.36 0.41 -0.61 -1.33 0.00 0.00 0.00 176.54 174.65 2bis h GLY 184 N 1.12 0.22 0.85 4.60 0.00 -1.08 -1.61 103.07 107.18 2bis h GLY 184 Ca 0.32 -0.28 -0.00 0.00 0.00 0.00 0.00 47.33 47.37 2bis h GLY 184 CO -0.08 0.25 -0.00 -1.82 0.00 0.00 0.00 176.54 174.89 2bis h TYR 185 N 0.15 -0.01 0.00 5.60 3.20 0.30 -3.10 116.97 123.11 2bis h TYR 185 Ca -0.01 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.86 2bis h TYR 185 Cb 1.11 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.38 2bis h TYR 185 CO 0.02 0.14 0.00 -0.84 -1.64 0.00 0.00 178.16 175.84 2bis h ILE 186 N -0.16 0.00 -3.97 1.81 -0.00 -1.41 -3.46 117.51 110.32 2bis h ILE 186 Ca -0.00 -0.55 -0.49 0.00 -0.00 0.00 0.00 64.86 63.82 2bis h ILE 186 Cb 0.15 1.52 0.04 0.00 -0.00 0.00 0.00 36.82 38.53 2bis h ILE 186 CO 0.00 0.00 0.45 0.00 -0.00 0.00 0.00 178.15 178.60 2bis s ALA 187 N -3.16 3.06 0.09 0.16 0.00 -0.61 -4.84 121.76 116.46 2bis s ALA 187 Ca 0.09 0.82 -0.09 0.00 0.00 0.00 0.00 51.96 52.78 2bis s ALA 187 Cb 0.11 -3.33 -0.21 0.00 0.00 0.00 0.00 23.12 19.69 2bis s ALA 187 CO 0.59 -0.41 1.19 -0.44 0.00 0.00 0.00 175.76 176.69 2bis h ASP 188 N 2.37 0.69 -3.48 0.00 3.32 -1.09 -3.45 116.42 114.78 2bis h ASP 188 Ca -0.49 -0.61 -0.38 0.00 0.02 0.00 0.00 57.03 55.57 2bis h ASP 188 Cb 1.23 -0.22 -0.34 0.00 0.22 0.00 0.00 39.33 40.22 2bis h ASP 188 CO 0.62 1.43 -0.76 -0.63 -1.72 0.00 0.00 179.24 178.17 2bis s ILE 189 N -3.08 0.40 -0.03 0.35 -1.09 -1.14 -4.82 121.20 111.79 2bis s ILE 189 Ca -0.07 -0.05 -0.06 0.00 -2.23 0.00 0.00 60.65 58.24 2bis s ILE 189 Cb 0.07 -0.45 -0.04 0.00 -1.58 0.00 0.00 42.46 40.46 2bis s ILE 189 CO 0.90 0.19 0.21 -0.69 -1.23 0.00 0.00 174.94 174.32 2bis s VAL 190 N 0.91 5.39 0.09 2.92 1.01 0.10 -1.76 120.40 129.06 2bis s VAL 190 Ca -0.11 0.09 0.04 0.00 0.00 0.00 0.00 61.98 61.99 2bis s VAL 190 Cb -0.14 -3.52 -0.03 0.00 0.00 0.00 0.00 36.38 32.68 2bis s VAL 190 CO -0.00 0.42 -0.10 0.42 0.00 0.00 0.00 175.10 175.84 2bis s THR 191 N -1.23 0.91 0.29 3.92 -4.23 0.50 -1.61 115.64 114.19 2bis s THR 191 Ca 0.24 -1.59 0.02 0.00 -1.18 0.00 0.00 61.69 59.18 2bis s THR 191 Cb -0.13 -1.30 -0.04 0.00 1.34 0.00 0.00 72.50 72.37 2bis s THR 191 CO 0.14 -0.54 0.13 0.28 -0.54 0.00 0.00 174.62 174.09 2bis s THR 192 N -2.35 0.48 -1.14 3.99 -1.32 -0.79 -1.03 115.64 113.48 2bis s THR 192 Ca 0.04 -2.00 0.26 0.00 -1.21 0.00 0.00 61.69 58.78 2bis s THR 192 Cb -0.03 -2.57 0.09 0.00 -1.51 0.00 0.00 72.50 68.48 2bis s THR 192 CO -0.00 0.00 1.52 0.52 -2.21 0.00 0.00 174.62 174.45 2bis n VAL 193 N -0.55 0.00 -3.51 5.08 0.31 -1.25 0.54 118.33 118.95 2bis n VAL 193 Ca 0.00 -0.02 -0.14 0.00 -0.01 0.00 0.00 64.34 64.17 2bis n VAL 193 Cb 0.66 0.17 -0.04 0.00 -0.91 0.00 0.00 33.84 33.71 2bis n VAL 193 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 2bis s SER 194 N -2.90 -0.51 0.16 4.52 1.04 -1.26 -3.59 113.70 111.17 2bis s SER 194 Ca 0.14 0.16 -0.09 0.00 0.48 0.00 0.00 55.95 56.64 2bis s SER 194 Cb 0.18 0.54 0.02 0.00 0.10 0.00 0.00 66.02 66.86 2bis s SER 194 CO 0.64 -0.81 1.54 -0.09 0.98 0.00 0.00 173.24 175.50 2bis h ARG 195 N 2.48 0.95 -0.37 4.02 2.43 -1.88 -2.19 114.38 119.82 2bis h ARG 195 Ca -0.32 -0.43 -0.12 0.00 -0.81 0.00 0.00 59.98 58.30 2bis h ARG 195 Cb 1.24 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.76 2bis h ARG 195 CO 0.40 1.09 -0.25 0.78 -1.51 0.00 0.00 179.97 180.48 2bis h GLY 196 N 0.86 0.89 1.79 2.80 0.00 -1.92 -1.75 103.07 105.76 2bis h GLY 196 Ca 0.09 -0.85 -0.10 0.00 0.00 0.00 0.00 47.33 46.47 2bis h GLY 196 CO 0.07 0.77 -0.37 -1.82 0.00 0.00 0.00 176.54 175.20 2bis h TYR 197 N 0.62 0.27 -0.39 5.60 3.20 -1.70 0.21 116.97 124.77 2bis h TYR 197 Ca 0.07 -0.07 0.01 0.00 3.14 0.00 0.00 58.73 61.89 2bis h TYR 197 Cb 0.82 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 39.01 2bis h TYR 197 CO 0.06 0.58 0.24 1.25 -1.64 0.00 0.00 178.16 178.65 2bis h LEU 198 N 0.20 0.41 0.03 2.82 5.85 -1.18 -1.35 115.31 122.10 2bis h LEU 198 Ca 0.02 -0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.74 2bis h LEU 198 Cb 0.75 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.69 2bis h LEU 198 CO 0.06 0.30 -0.02 0.40 -0.34 0.00 0.00 178.44 178.84 2bis h ILE 199 N 0.50 1.33 -0.83 4.05 2.04 -0.72 -2.18 117.51 121.70 2bis h ILE 199 Ca 0.15 -1.18 0.14 0.00 1.00 0.00 0.00 64.86 64.97 2bis h ILE 199 Cb -0.03 2.11 -0.06 0.00 -0.74 0.00 0.00 36.82 38.10 2bis h ILE 199 CO -0.05 0.30 0.54 0.44 0.00 0.00 0.00 178.15 179.38 2bis h ASP 200 N -0.57 0.57 -0.58 1.72 5.19 -0.64 -1.57 116.42 120.54 2bis h ASP 200 Ca -0.00 0.03 -0.02 0.00 -0.62 0.00 0.00 57.03 56.41 2bis h ASP 200 Cb 0.52 -0.08 -0.01 0.00 0.18 0.00 0.00 39.33 39.94 2bis h ASP 200 CO 0.01 0.30 0.03 -0.62 -3.12 0.00 0.00 179.24 175.83 2bis n GLU 201 N -4.53 4.73 -0.10 3.56 -0.58 -0.51 -4.55 120.64 118.66 2bis n GLU 201 Ca 0.16 -3.09 0.19 0.00 -0.42 0.00 0.00 57.16 54.00 2bis n GLU 201 Cb 0.47 -2.25 0.61 0.00 -0.57 0.00 0.00 31.44 29.69 2bis n GLU 201 CO 0.00 0.00 0.00 2.35 -0.48 0.00 0.00 177.13 179.00 2bis h TRP 202 N 3.79 0.23 -0.95 -0.32 -0.00 -0.61 0.58 115.95 118.67 2bis h TRP 202 Ca 0.03 0.01 0.20 0.00 -0.00 0.00 0.00 58.89 59.12 2bis h TRP 202 Cb 2.00 -0.07 -0.18 0.00 -0.00 0.00 0.00 29.16 30.91 2bis h TRP 202 CO 1.10 0.08 -0.20 0.78 -0.00 0.00 0.00 178.44 180.21 2bis h GLY 203 N 0.19 0.76 0.23 2.65 0.00 -1.83 0.12 103.07 105.20 2bis h GLY 203 Ca 0.33 0.29 -0.16 0.00 0.00 0.00 0.00 47.33 47.79 2bis h GLY 203 CO -0.06 -0.38 -0.82 -2.75 0.00 0.00 0.00 176.54 172.53 2bis h PHE 204 N 0.00 0.18 0.00 5.60 3.57 -1.30 -3.40 116.94 121.61 2bis h PHE 204 Ca 0.47 -0.13 -0.03 0.00 3.53 0.00 0.00 57.97 61.81 2bis h PHE 204 Cb 0.76 -0.01 -0.00 0.00 2.79 0.00 0.00 35.95 39.49 2bis h PHE 204 CO -0.70 1.32 -0.12 0.74 -2.23 0.00 0.00 178.31 177.32 2bis h PHE 205 N -0.74 0.00 0.00 0.41 -1.00 -1.07 -2.79 116.94 111.75 2bis h PHE 205 Ca -0.19 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.58 2bis h PHE 205 Cb 1.36 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.92 2bis h PHE 205 CO 0.18 0.12 -0.01 0.07 -1.61 0.00 0.00 178.31 177.06 2bis h ARG 206 N 0.00 0.00 0.00 1.51 0.11 -1.18 -1.04 114.38 113.78 2bis h ARG 206 Ca -0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2bis h ARG 206 Cb 0.50 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.58 2bis h ARG 206 CO 0.02 0.01 0.00 0.09 0.10 0.00 0.00 179.97 180.19 2bis n ASN 207 N -3.40 0.45 -0.33 0.08 5.03 -1.05 -2.15 115.26 113.89 2bis n ASN 207 Ca -0.03 0.65 0.09 0.00 0.87 0.00 0.00 54.58 56.16 2bis n ASN 207 Cb 0.10 -0.73 0.17 0.00 -1.02 0.00 0.00 39.78 38.30 2bis n ASN 207 CO 0.00 0.00 0.00 0.49 -1.83 0.00 0.00 177.26 175.92 2bis n PHE 208 N -2.04 0.21 -1.68 3.10 3.01 -0.39 -5.04 117.46 114.63 2bis n PHE 208 Ca 0.01 -1.07 -0.61 0.00 1.01 0.00 0.00 57.45 56.80 2bis n PHE 208 Cb 0.13 -0.21 -0.08 0.00 -0.01 0.00 0.00 39.48 39.31 2bis n PHE 208 CO 0.00 0.00 0.00 -1.91 1.01 0.00 0.00 176.76 175.86 2bis n GLU 209 N -1.23 0.60 0.00 -1.08 0.00 -0.91 0.21 120.64 118.23 2bis n GLU 209 Ca 0.18 0.22 0.00 0.00 0.00 0.00 0.00 57.16 57.56 2bis n GLU 209 Cb 0.71 -1.81 0.00 0.00 0.00 0.00 0.00 31.44 30.34 2bis n GLU 209 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2bis n GLY 210 N 3.51 3.00 0.01 8.31 0.00 -0.45 -4.81 105.19 114.77 2bis n GLY 210 Ca 0.26 -0.81 0.13 0.00 0.00 0.00 0.00 46.02 45.60 2bis n GLY 210 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2bis n LYS 211 N 0.00 0.05 -4.01 1.61 5.02 0.13 -4.62 118.16 116.34 2bis n LYS 211 Ca 0.00 0.03 -0.35 0.00 -2.02 0.00 0.00 58.31 55.97 2bis n LYS 211 Cb 0.00 -1.54 -0.09 0.00 -0.02 0.00 0.00 35.03 33.38 2bis n LYS 211 CO 0.00 0.00 0.00 -1.50 -0.52 0.00 0.00 177.40 175.38 2bis s ILE 212 N -3.03 4.90 0.12 -0.18 1.10 -0.97 0.03 121.20 123.18 2bis s ILE 212 Ca 0.12 -0.00 0.01 0.00 -0.51 0.00 0.00 60.65 60.27 2bis s ILE 212 Cb 0.17 -3.18 -0.00 0.00 0.15 0.00 0.00 42.46 39.60 2bis s ILE 212 CO 0.63 0.51 0.13 1.07 -2.11 0.00 0.00 174.94 175.17 2bis n THR 213 N 3.08 0.00 -4.68 4.00 5.66 -0.64 0.46 114.28 122.15 2bis n THR 213 Ca -0.17 -0.76 -0.30 0.00 -3.05 0.00 0.00 64.05 59.77 2bis n THR 213 Cb 0.53 0.41 -0.13 0.00 -1.55 0.00 0.00 70.33 69.59 2bis n THR 213 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 175.07 171.30 2bis s TYR 214 N -3.28 2.41 -0.19 1.09 -0.85 -1.26 -1.89 117.35 113.37 2bis s TYR 214 Ca 0.12 -0.35 -0.02 0.00 -0.52 0.00 0.00 57.07 56.30 2bis s TYR 214 Cb 0.00 -1.38 0.06 0.00 0.38 0.00 0.00 41.96 41.02 2bis s TYR 214 CO 0.09 0.23 0.02 0.08 -1.52 0.00 0.00 175.55 174.45 2bis s VAL 215 N -0.92 0.62 0.82 -3.49 1.01 0.19 -4.87 120.40 113.77 2bis s VAL 215 Ca 0.14 -0.58 -0.14 0.00 0.00 0.00 0.00 61.98 61.40 2bis s VAL 215 Cb -0.10 -1.08 0.05 0.00 0.00 0.00 0.00 36.38 35.24 2bis s VAL 215 CO 0.04 -0.16 0.88 0.49 0.00 0.00 0.00 175.10 176.35 2bis n PHE 216 N 5.02 0.22 -1.65 5.22 0.99 -1.25 -4.11 117.46 121.90 2bis n PHE 216 Ca -0.09 0.36 -0.10 0.00 -0.00 0.00 0.00 57.45 57.62 2bis n PHE 216 Cb 0.47 -1.99 0.06 0.00 -1.00 0.00 0.00 39.48 37.02 2bis n PHE 216 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.76 176.85 2bis n ASN 217 N -2.21 0.17 -3.34 4.37 5.03 -1.24 -4.71 115.26 113.34 2bis n ASN 217 Ca 0.11 -1.25 -0.20 0.00 0.87 0.00 0.00 54.58 54.12 2bis n ASN 217 Cb 0.51 -0.32 -0.06 0.00 -1.02 0.00 0.00 39.78 38.88 2bis n ASN 217 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2bis n GLY 218 N 1.99 3.32 3.17 7.41 0.00 -1.26 -4.75 105.19 115.07 2bis n GLY 218 Ca 0.06 -2.03 -0.13 0.00 0.00 0.00 0.00 46.02 43.92 2bis n GLY 218 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2bis s ILE 219 N -2.90 -0.01 -1.28 -0.61 2.07 -0.61 -4.88 121.20 112.98 2bis s ILE 219 Ca 0.21 0.03 -0.18 0.00 -1.41 0.00 0.00 60.65 59.30 2bis s ILE 219 Cb 0.01 -0.42 0.03 0.00 0.13 0.00 0.00 42.46 42.21 2bis s ILE 219 CO 0.15 0.01 1.83 -0.67 -1.91 0.00 0.00 174.94 174.35 2bis n ASP 220 N 3.26 4.44 0.00 4.50 2.03 -1.26 -4.62 116.55 124.90 2bis n ASP 220 Ca -0.16 -2.87 0.11 0.00 0.52 0.00 0.00 54.79 52.40 2bis n ASP 220 Cb 0.57 -1.72 0.51 0.00 -0.72 0.00 0.00 41.12 39.76 2bis n ASP 220 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2bis h SER 222 N 0.00 0.28 0.18 0.00 4.64 -2.00 -3.32 113.55 113.32 2bis h SER 222 Ca 0.00 -0.25 -0.01 0.00 -0.47 0.00 0.00 61.79 61.06 2bis h SER 222 Cb 0.39 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 2bis h SER 222 CO 0.00 1.08 -0.09 0.15 -0.87 0.00 0.00 176.83 177.11 2bis h PHE 223 N 0.10 -0.22 -0.90 4.77 3.57 -1.75 -3.37 116.94 119.13 2bis h PHE 223 Ca -0.06 -0.01 -0.65 0.00 3.53 0.00 0.00 57.97 60.78 2bis h PHE 223 Cb 1.62 0.07 -0.08 0.00 2.79 0.00 0.00 35.95 40.35 2bis h PHE 223 CO 0.03 0.20 2.02 -1.58 -2.23 0.00 0.00 178.31 176.75 2bis s TRP 224 N -3.73 2.70 -0.02 0.41 0.52 -1.02 -4.90 118.94 112.89 2bis s TRP 224 Ca -0.13 -1.39 -0.01 0.00 0.02 0.00 0.00 56.10 54.59 2bis s TRP 224 Cb 0.01 -4.72 0.02 0.00 -1.15 0.00 0.00 33.47 27.62 2bis s TRP 224 CO 0.51 -1.82 0.05 1.21 0.02 0.00 0.00 176.95 176.91 2bis s ASN 225 N 4.47 -0.01 0.52 2.95 3.84 -1.25 -4.44 114.94 121.02 2bis s ASN 225 Ca 0.53 0.09 0.24 0.00 0.21 0.00 0.00 52.86 53.93 2bis s ASN 225 Cb 0.03 0.03 1.44 0.00 -0.55 0.00 0.00 41.25 42.20 2bis s ASN 225 CO 0.04 -0.07 2.11 -0.33 -2.79 0.00 0.00 177.10 176.06 2bis h GLU 226 N 6.69 0.00 0.00 0.43 5.08 -1.90 -3.03 114.58 121.85 2bis h GLU 226 Ca -0.35 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.01 2bis h GLU 226 Cb 1.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 2bis h GLU 226 CO 0.48 0.09 0.09 0.66 -1.00 0.00 0.00 179.01 179.32 2bis h SER 227 N 0.00 0.00 0.62 1.42 4.64 -1.96 0.69 113.55 118.96 2bis h SER 227 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2bis h SER 227 Cb 0.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 2bis h SER 227 CO 0.01 0.00 0.00 -1.22 -0.87 0.00 0.00 176.83 174.75 2bis n TYR 228 N -2.77 0.00 -3.97 4.77 4.02 -1.15 -4.88 117.16 113.19 2bis n TYR 228 Ca -0.02 0.00 -0.23 0.00 -0.01 0.00 0.00 57.90 57.63 2bis n TYR 228 Cb 0.14 -0.38 -0.06 0.00 -0.02 0.00 0.00 39.34 39.02 2bis n TYR 228 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 2bis s LEU 229 N -2.75 3.22 0.09 7.72 1.43 0.23 -5.09 118.68 123.53 2bis s LEU 229 Ca 0.18 -0.92 0.02 0.00 -1.03 0.00 0.00 54.13 52.37 2bis s LEU 229 Cb 0.16 -1.67 -0.04 0.00 0.03 0.00 0.00 46.19 44.67 2bis s LEU 229 CO 0.40 -0.52 -0.06 0.42 0.23 0.00 0.00 176.35 176.81 2bis s THR 230 N -2.53 0.64 0.11 5.49 -4.23 -1.26 -5.06 115.64 108.80 2bis s THR 230 Ca 0.42 -1.82 0.00 0.00 -1.18 0.00 0.00 61.69 59.12 2bis s THR 230 Cb 0.01 -1.53 0.00 0.00 1.34 0.00 0.00 72.50 72.32 2bis s THR 230 CO 0.24 -0.82 0.00 0.61 -0.54 0.00 0.00 174.62 174.11 2bis n GLY 231 N 0.16 -1.50 3.80 3.99 0.00 -1.26 -4.71 105.19 105.68 2bis n GLY 231 Ca -0.14 -1.41 -0.29 0.00 0.00 0.00 0.00 46.02 44.18 2bis n GLY 231 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2bis s SER 232 N -3.79 4.19 0.33 1.61 1.04 -1.26 -4.90 113.70 110.91 2bis s SER 232 Ca 0.00 1.17 0.08 0.00 0.48 0.00 0.00 55.95 57.67 2bis s SER 232 Cb 0.00 -1.84 0.59 0.00 0.10 0.00 0.00 66.02 64.87 2bis s SER 232 CO 0.00 -2.15 1.79 -0.09 0.98 0.00 0.00 173.24 173.77 2bis h ARG 233 N -1.21 0.24 -0.32 4.02 2.43 -1.90 -2.20 114.38 115.44 2bis h ARG 233 Ca -0.48 -0.09 -0.16 0.00 -0.81 0.00 0.00 59.98 58.44 2bis h ARG 233 Cb 1.29 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.82 2bis h ARG 233 CO 0.61 0.52 -0.42 -0.44 -1.51 0.00 0.00 179.97 178.73 2bis h ASP 234 N 0.22 0.87 -0.43 -3.80 3.45 -1.93 -1.65 116.42 113.14 2bis h ASP 234 Ca 0.03 -0.41 -0.01 0.00 0.43 0.00 0.00 57.03 57.07 2bis h ASP 234 Cb 0.63 -0.24 -0.02 0.00 -0.56 0.00 0.00 39.33 39.14 2bis h ASP 234 CO 0.05 1.17 0.22 -0.33 -1.57 0.00 0.00 179.24 178.77 2bis h GLU 235 N 0.65 0.61 -0.67 3.56 5.08 -1.89 -1.68 114.58 120.25 2bis h GLU 235 Ca 0.05 -0.08 -0.06 0.00 -1.00 0.00 0.00 59.36 58.27 2bis h GLU 235 Cb 0.99 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 30.10 2bis h GLU 235 CO 0.09 0.51 0.19 0.00 -1.00 0.00 0.00 179.01 178.80 2bis h ARG 236 N 0.55 1.04 -0.22 2.33 3.08 -1.30 -1.77 114.38 118.09 2bis h ARG 236 Ca 0.15 -0.22 -0.07 0.00 0.07 0.00 0.00 59.98 59.90 2bis h ARG 236 Cb 0.09 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 29.98 2bis h ARG 236 CO -0.02 0.90 -0.15 -0.22 -1.07 0.00 0.00 179.97 179.41 2bis h LYS 237 N 0.99 0.49 -1.00 0.04 3.64 -1.22 -1.45 116.57 118.06 2bis h LYS 237 Ca 0.21 -0.23 0.01 0.00 -1.27 0.00 0.00 60.65 59.38 2bis h LYS 237 Cb 0.32 -0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.08 2bis h LYS 237 CO -0.00 0.79 0.66 -0.22 -2.27 0.00 0.00 179.45 178.41 2bis h LYS 238 N 0.18 1.30 -0.18 1.90 3.64 -1.18 -0.31 116.57 121.92 2bis h LYS 238 Ca 0.04 -0.08 -0.01 0.00 -1.27 0.00 0.00 60.65 59.33 2bis h LYS 238 Cb 0.67 -0.29 -0.01 0.00 -0.41 0.00 0.00 32.23 32.19 2bis h LYS 238 CO 0.04 0.86 0.06 1.03 -2.27 0.00 0.00 179.45 179.17 2bis h SER 239 N 1.34 0.26 0.11 4.20 0.87 -1.25 -1.46 113.55 117.62 2bis h SER 239 Ca 0.37 -0.20 -0.01 0.00 -1.23 0.00 0.00 61.79 60.72 2bis h SER 239 Cb -0.13 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 61.76 2bis h SER 239 CO -0.09 0.40 -0.05 0.25 -0.53 0.00 0.00 176.83 176.81 2bis h LEU 240 N 0.11 -0.12 -0.68 2.23 5.85 -0.90 -2.22 115.31 119.58 2bis h LEU 240 Ca 0.06 -0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.72 2bis h LEU 240 Cb 0.23 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.26 2bis h LEU 240 CO -0.00 -0.02 0.45 -0.07 -0.34 0.00 0.00 178.44 178.46 2bis h LEU 241 N -0.22 0.79 -1.47 2.25 3.38 -1.07 -1.97 115.31 117.01 2bis h LEU 241 Ca -0.02 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 2bis h LEU 241 Cb 0.18 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 2bis h LEU 241 CO 0.02 0.57 -0.09 0.77 0.09 0.00 0.00 178.44 179.80 2bis h SER 242 N 0.93 0.00 0.77 -0.43 4.64 -0.82 -0.81 113.55 117.83 2bis h SER 242 Ca 0.25 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.55 2bis h SER 242 Cb -0.10 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 61.98 2bis h SER 242 CO -0.05 0.09 -0.11 0.11 -0.87 0.00 0.00 176.83 176.00 2bis h LYS 243 N 0.00 0.00 -0.02 4.77 1.57 -0.72 -2.72 116.57 119.45 2bis h LYS 243 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2bis h LYS 243 Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.86 2bis h LYS 243 CO 0.01 0.11 -0.06 1.19 -0.57 0.00 0.00 179.45 180.14 2bis n PHE 244 N -3.33 0.00 -0.22 -1.35 3.72 -0.41 -4.95 117.46 110.92 2bis n PHE 244 Ca -0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 2bis n PHE 244 Cb 0.32 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 38.86 2bis n PHE 244 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2bis n GLY 245 N 1.30 0.81 3.72 1.37 0.00 -0.96 -5.03 105.19 106.40 2bis n GLY 245 Ca 0.15 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.93 2bis n GLY 245 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2bis s MET 246 N -0.78 2.59 0.50 1.61 -1.94 -0.58 -4.96 119.30 115.74 2bis s MET 246 Ca 0.00 -1.15 0.08 0.00 -1.71 0.00 0.00 55.69 52.91 2bis s MET 246 Cb 0.00 -2.40 0.03 0.00 2.01 0.00 0.00 34.83 34.47 2bis s MET 246 CO 0.00 0.42 0.52 0.16 -0.01 0.00 0.00 175.02 176.11 2bis s ASP 247 N -3.43 5.02 0.46 3.03 1.47 -1.26 -2.27 116.67 119.68 2bis s ASP 247 Ca 0.31 -0.88 -0.24 0.00 1.18 0.00 0.00 52.55 52.92 2bis s ASP 247 Cb -0.08 -0.06 -0.09 0.00 -0.34 0.00 0.00 42.92 42.35 2bis s ASP 247 CO 0.21 -0.99 1.16 -0.62 0.68 0.00 0.00 175.17 175.62 2bis n GLU 248 N -1.84 1.58 -3.67 2.11 1.02 -1.26 -4.95 120.64 113.64 2bis n GLU 248 Ca 0.06 0.57 -0.01 0.00 -0.02 0.00 0.00 57.16 57.76 2bis n GLU 248 Cb 0.62 -2.27 -0.01 0.00 -0.02 0.00 0.00 31.44 29.76 2bis n GLU 248 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2bis s GLY 249 N -0.74 -0.34 -0.22 0.62 0.00 -1.26 -5.04 107.32 100.34 2bis s GLY 249 Ca 0.65 0.51 -0.29 0.00 0.00 0.00 0.00 44.72 45.59 2bis s GLY 249 CO 0.55 0.10 1.37 0.14 0.00 0.00 0.00 173.10 175.25 2bis s VAL 250 N -2.79 4.08 -0.29 1.40 1.01 -0.42 -4.77 120.40 118.62 2bis s VAL 250 Ca 0.13 1.26 -0.06 0.00 0.00 0.00 0.00 61.98 63.31 2bis s VAL 250 Cb 0.02 -3.97 0.01 0.00 0.00 0.00 0.00 36.38 32.44 2bis s VAL 250 CO -0.02 -0.29 0.05 -0.89 0.00 0.00 0.00 175.10 173.95 2bis s THR 251 N 4.18 3.73 -0.11 3.92 2.01 -1.26 -0.35 115.64 127.75 2bis s THR 251 Ca 0.59 -0.78 -0.05 0.00 0.31 0.00 0.00 61.69 61.77 2bis s THR 251 Cb -0.21 -2.93 -0.04 0.00 0.01 0.00 0.00 72.50 69.34 2bis s THR 251 CO 0.21 0.10 0.08 -0.36 -0.69 0.00 0.00 174.62 173.96 2bis s PHE 252 N 1.46 3.38 0.07 4.92 0.40 -0.02 -0.97 117.98 127.22 2bis s PHE 252 Ca 0.02 0.34 0.07 0.00 -0.60 0.00 0.00 56.93 56.76 2bis s PHE 252 Cb -0.17 -1.90 -0.03 0.00 0.51 0.00 0.00 43.02 41.43 2bis s PHE 252 CO 0.01 0.56 -0.19 1.41 0.70 0.00 0.00 175.22 177.71 2bis s MET 253 N -0.81 1.15 -0.01 0.44 1.75 0.11 -1.95 119.30 119.99 2bis s MET 253 Ca 0.13 -1.01 0.03 0.00 -1.25 0.00 0.00 55.69 53.58 2bis s MET 253 Cb -0.12 -1.31 -0.01 0.00 2.84 0.00 0.00 34.83 36.24 2bis s MET 253 CO 0.03 0.32 -0.09 0.12 -0.65 0.00 0.00 175.02 174.74 2bis s PHE 254 N -1.01 0.86 -0.14 4.11 5.36 -0.63 0.04 117.98 126.57 2bis s PHE 254 Ca 0.05 -0.17 -0.04 0.00 -0.96 0.00 0.00 56.93 55.82 2bis s PHE 254 Cb -0.09 -0.56 0.07 0.00 -0.34 0.00 0.00 43.02 42.09 2bis s PHE 254 CO 0.03 -0.02 0.21 -1.50 -1.46 0.00 0.00 175.22 172.48 2bis s ILE 255 N -0.19 -0.33 0.00 3.12 2.07 -1.26 -1.36 121.20 123.25 2bis s ILE 255 Ca 0.03 0.17 0.00 0.00 -1.41 0.00 0.00 60.65 59.44 2bis s ILE 255 Cb -0.04 -0.47 0.00 0.00 0.13 0.00 0.00 42.46 42.08 2bis s ILE 255 CO -0.00 0.01 0.00 0.61 -1.91 0.00 0.00 174.94 173.65 2bis n GLY 256 N 5.33 1.47 3.62 1.50 0.00 -0.89 -5.02 105.19 111.19 2bis n GLY 256 Ca -0.05 -0.69 -0.49 0.00 0.00 0.00 0.00 46.02 44.79 2bis n GLY 256 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2bis n ARG 257 N -0.32 1.53 -2.80 1.61 3.00 -1.26 -4.00 116.66 114.42 2bis n ARG 257 Ca 0.00 0.55 -0.42 0.00 -0.00 0.00 0.00 57.85 57.98 2bis n ARG 257 Cb 0.00 -2.19 -0.03 0.00 0.00 0.00 0.00 32.46 30.24 2bis n ARG 257 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 2bis s PHE 258 N 0.34 3.56 0.18 -0.14 0.40 0.67 -4.69 117.98 118.30 2bis s PHE 258 Ca 0.78 1.51 -0.24 0.00 -0.60 0.00 0.00 56.93 58.38 2bis s PHE 258 Cb -0.81 -3.06 0.06 0.00 0.51 0.00 0.00 43.02 39.72 2bis s PHE 258 CO 0.46 -0.09 0.95 0.16 0.70 0.00 0.00 175.22 177.41 2bis s ASP 259 N 1.02 -0.13 0.00 1.36 1.47 -1.26 -2.34 116.67 116.78 2bis s ASP 259 Ca 0.46 -0.52 0.00 0.00 1.18 0.00 0.00 52.55 53.67 2bis s ASP 259 Cb -0.19 0.53 0.00 0.00 -0.34 0.00 0.00 42.92 42.92 2bis s ASP 259 CO 0.21 -1.00 0.03 0.54 0.68 0.00 0.00 175.17 175.63 2bis n ARG 260 N -0.52 0.00 -2.94 2.11 5.12 -1.26 -4.60 116.66 114.57 2bis n ARG 260 Ca -0.05 0.03 -0.13 0.00 -1.93 0.00 0.00 57.85 55.76 2bis n ARG 260 Cb 0.60 -0.49 0.02 0.00 -1.16 0.00 0.00 32.46 31.43 2bis n ARG 260 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2bis n GLY 261 N -0.06 2.28 1.70 -0.13 0.00 -1.26 -4.86 105.19 102.86 2bis n GLY 261 Ca 0.00 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 44.97 2bis n GLY 261 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bis n GLN 262 N 0.17 0.00 0.14 1.61 0.00 -1.26 -4.76 117.38 113.27 2bis n GLN 262 Ca 0.15 0.00 0.08 0.00 0.00 0.00 0.00 57.00 57.23 2bis n GLN 262 Cb 0.71 -0.16 0.05 0.00 0.00 0.00 0.00 30.24 30.85 2bis n GLN 262 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.06 177.93 2bis h LYS 263 N 0.00 0.00 0.00 2.61 1.79 -1.86 0.26 116.57 119.37 2bis h LYS 263 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2bis h LYS 263 Cb 0.12 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.77 2bis h LYS 263 CO 0.00 0.15 0.00 0.41 -1.08 0.00 0.00 179.45 178.93 2bis n GLY 264 N 1.20 0.58 0.22 3.86 0.00 -1.25 -3.46 105.19 106.34 2bis n GLY 264 Ca 0.00 -0.81 0.04 0.00 0.00 0.00 0.00 46.02 45.25 2bis n GLY 264 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2bis h VAL 265 N 0.00 1.18 -0.53 1.61 3.04 -1.85 -2.31 116.25 117.39 2bis h VAL 265 Ca 0.00 -0.86 -0.06 0.00 -1.01 0.00 0.00 66.70 64.77 2bis h VAL 265 Cb 0.37 1.41 -0.02 0.00 -2.01 0.00 0.00 31.29 31.03 2bis h VAL 265 CO 0.00 0.25 0.09 -2.24 -1.01 0.00 0.00 177.57 174.66 2bis h ASP 266 N 0.06 0.78 -0.01 3.17 2.03 -1.90 -1.18 116.42 119.37 2bis h ASP 266 Ca 0.01 -0.15 -0.14 0.00 -0.73 0.00 0.00 57.03 56.02 2bis h ASP 266 Cb 0.44 -0.20 -0.01 0.00 -0.83 0.00 0.00 39.33 38.72 2bis h ASP 266 CO 0.03 0.79 -0.43 0.58 -1.03 0.00 0.00 179.24 179.17 2bis h VAL 267 N 0.79 1.31 -0.42 4.15 2.07 -1.80 -2.04 116.25 120.29 2bis h VAL 267 Ca 0.17 -1.62 -0.03 0.00 0.82 0.00 0.00 66.70 66.04 2bis h VAL 267 Cb 0.34 1.61 -0.02 0.00 -1.52 0.00 0.00 31.29 31.70 2bis h VAL 267 CO 0.00 0.51 0.14 0.25 0.02 0.00 0.00 177.57 178.49 2bis h LEU 268 N 0.44 0.61 -0.45 2.57 5.85 -1.09 -2.03 115.31 121.21 2bis h LEU 268 Ca 0.03 -0.20 -0.09 0.00 0.84 0.00 0.00 57.88 58.46 2bis h LEU 268 Cb 0.94 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.79 2bis h LEU 268 CO 0.08 0.64 -0.07 -0.07 -0.34 0.00 0.00 178.44 178.69 2bis h LEU 269 N 0.54 0.84 -0.83 2.25 3.38 -1.15 0.47 115.31 120.81 2bis h LEU 269 Ca 0.14 -0.34 0.08 0.00 0.09 0.00 0.00 57.88 57.84 2bis h LEU 269 Cb 0.25 -0.23 -0.07 0.00 0.09 0.00 0.00 40.66 40.70 2bis h LEU 269 CO -0.01 0.99 0.49 0.11 0.09 0.00 0.00 178.44 180.11 2bis h LYS 270 N 0.68 0.83 -0.22 1.13 1.57 -1.36 -2.22 116.57 116.98 2bis h LYS 270 Ca 0.12 -0.05 -0.18 0.00 -1.87 0.00 0.00 60.65 58.67 2bis h LYS 270 Cb 0.59 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.72 2bis h LYS 270 CO 0.04 0.55 -0.59 0.00 -0.57 0.00 0.00 179.45 178.88 2bis h ALA 271 N 1.43 0.54 -0.93 3.86 0.00 -0.54 -1.13 119.26 122.49 2bis h ALA 271 Ca 0.38 -0.53 0.04 0.00 0.00 0.00 0.00 54.91 54.80 2bis h ALA 271 Cb 0.27 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 17.93 2bis h ALA 271 CO -0.21 0.69 0.60 0.82 0.00 0.00 0.00 179.25 181.15 2bis h ILE 272 N 0.54 1.14 0.05 0.00 2.04 0.06 -1.25 117.51 120.09 2bis h ILE 272 Ca 0.00 -0.39 -0.00 0.00 1.00 0.00 0.00 64.86 65.46 2bis h ILE 272 Cb 1.17 -0.12 0.00 0.00 -0.74 0.00 0.00 36.82 37.14 2bis h ILE 272 CO 0.12 0.21 -0.02 -0.33 0.00 0.00 0.00 178.15 178.13 2bis h GLU 273 N 1.15 -0.06 -0.89 2.37 5.08 -1.08 -1.29 114.58 119.85 2bis h GLU 273 Ca 0.38 0.00 0.19 0.00 -1.00 0.00 0.00 59.36 58.93 2bis h GLU 273 Cb 0.04 0.01 -0.11 0.00 0.50 0.00 0.00 28.75 29.19 2bis h GLU 273 CO -0.13 0.20 0.44 0.82 -1.00 0.00 0.00 179.01 179.34 2bis h ILE 274 N -0.33 0.59 -0.08 3.13 2.04 -1.02 -2.16 117.51 119.69 2bis h ILE 274 Ca -0.01 -0.18 -0.15 0.00 1.00 0.00 0.00 64.86 65.53 2bis h ILE 274 Cb 0.29 0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.39 2bis h ILE 274 CO 0.01 0.10 -0.60 -0.07 0.00 0.00 0.00 178.15 177.59 2bis h LEU 275 N 0.53 0.31 -2.02 1.44 3.38 -0.94 -3.31 115.31 114.69 2bis h LEU 275 Ca 0.53 -0.18 0.09 0.00 0.09 0.00 0.00 57.88 58.42 2bis h LEU 275 Cb 0.90 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 2bis h LEU 275 CO -0.45 0.84 0.39 0.77 0.09 0.00 0.00 178.44 180.08 2bis h SER 276 N 0.21 0.00 -0.47 -0.43 4.64 -0.55 0.14 113.55 117.10 2bis h SER 276 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2bis h SER 276 Cb 1.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 2bis h SER 276 CO 0.09 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.51 2bis n SER 277 N -3.64 3.50 -4.92 4.97 3.41 -1.25 -4.88 113.62 110.81 2bis n SER 277 Ca 0.05 -1.97 -0.26 0.00 -0.26 0.00 0.00 58.87 56.43 2bis n SER 277 Cb 0.54 -0.30 -0.02 0.00 -0.26 0.00 0.00 64.21 64.17 2bis n SER 277 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2bis s LYS 278 N -1.28 3.55 0.29 4.33 1.02 0.50 -5.01 119.74 123.14 2bis s LYS 278 Ca 0.39 -0.10 0.09 0.00 0.02 0.00 0.00 55.97 56.36 2bis s LYS 278 Cb 0.22 -2.60 0.44 0.00 -0.52 0.00 0.00 37.83 35.37 2bis s LYS 278 CO 0.30 0.10 1.67 -0.22 -0.92 0.00 0.00 175.35 176.29 2bis h LYS 279 N 0.99 0.10 -0.11 1.68 3.64 -1.91 -3.14 116.57 117.83 2bis h LYS 279 Ca -0.48 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 58.84 2bis h LYS 279 Cb 1.21 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 2bis h LYS 279 CO 0.63 0.59 0.00 -0.85 -2.27 0.00 0.00 179.45 177.55 2bis n GLU 280 N -3.94 1.40 -0.17 1.90 0.00 -1.26 -4.05 120.64 114.51 2bis n GLU 280 Ca -0.02 -0.60 0.08 0.00 0.00 0.00 0.00 57.16 56.62 2bis n GLU 280 Cb 0.53 -1.30 0.38 0.00 0.00 0.00 0.00 31.44 31.06 2bis n GLU 280 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.13 177.48 2bis h PHE 281 N 1.15 0.72 0.00 -1.84 3.57 -1.76 -1.84 116.94 116.93 2bis h PHE 281 Ca 0.00 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.52 2bis h PHE 281 Cb 0.25 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 38.76 2bis h PHE 281 CO 0.07 0.36 0.00 0.00 -2.23 0.00 0.00 178.31 176.51 2bis n GLN 282 N -4.49 0.04 0.14 1.11 0.00 -1.26 -1.94 117.38 110.99 2bis n GLN 282 Ca 0.11 0.11 0.12 0.00 0.00 0.00 0.00 57.00 57.34 2bis n GLN 282 Cb 0.28 -1.50 0.15 0.00 0.00 0.00 0.00 30.24 29.16 2bis n GLN 282 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.06 177.99 2bis h GLU 283 N 0.00 0.00 -6.08 2.61 5.08 -1.63 -3.48 114.58 111.08 2bis h GLU 283 Ca 0.00 0.00 -0.59 0.00 -1.00 0.00 0.00 59.36 57.77 2bis h GLU 283 Cb 0.36 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.57 2bis h GLU 283 CO 0.00 0.00 -0.38 -1.64 -1.00 0.00 0.00 179.01 175.99 2bis s MET 284 N -3.24 3.55 -0.01 2.33 -1.94 -0.82 -1.30 119.30 117.87 2bis s MET 284 Ca 0.05 -0.23 0.03 0.00 -1.71 0.00 0.00 55.69 53.83 2bis s MET 284 Cb 0.09 -2.91 -0.00 0.00 2.01 0.00 0.00 34.83 34.01 2bis s MET 284 CO 0.71 0.51 -0.10 1.03 -0.01 0.00 0.00 175.02 177.16 2bis s ARG 285 N -2.66 0.88 -0.08 2.03 1.81 0.53 -4.82 118.95 116.63 2bis s ARG 285 Ca 0.39 -0.34 0.04 0.00 -1.72 0.00 0.00 55.73 54.09 2bis s ARG 285 Cb -0.12 -0.84 0.00 0.00 -0.45 0.00 0.00 34.95 33.54 2bis s ARG 285 CO 0.26 0.18 -0.20 -0.06 -0.68 0.00 0.00 175.30 174.80 2bis s PHE 286 N -0.07 2.14 -0.18 -0.53 0.40 -0.72 -0.84 117.98 118.17 2bis s PHE 286 Ca 0.01 -0.82 0.01 0.00 -0.60 0.00 0.00 56.93 55.54 2bis s PHE 286 Cb -0.06 -1.46 0.03 0.00 0.51 0.00 0.00 43.02 42.04 2bis s PHE 286 CO -0.00 -0.34 -0.16 0.42 0.70 0.00 0.00 175.22 175.84 2bis s ILE 287 N 0.37 1.89 -0.20 0.64 1.09 -0.82 -0.41 121.20 123.76 2bis s ILE 287 Ca -0.15 -0.95 -0.00 0.00 -1.10 0.00 0.00 60.65 58.45 2bis s ILE 287 Cb -0.16 -1.79 0.01 0.00 -1.06 0.00 0.00 42.46 39.46 2bis s ILE 287 CO 0.06 0.41 -0.15 -0.63 -0.10 0.00 0.00 174.94 174.54 2bis s ILE 288 N 1.33 2.47 -0.02 2.92 1.01 -0.06 -1.60 121.20 127.26 2bis s ILE 288 Ca 0.03 -0.84 0.06 0.00 0.00 0.00 0.00 60.65 59.90 2bis s ILE 288 Cb -0.14 -2.09 -0.02 0.00 0.01 0.00 0.00 42.46 40.22 2bis s ILE 288 CO -0.11 0.47 -0.21 -0.63 0.00 0.00 0.00 174.94 174.46 2bis s ILE 289 N 1.34 1.68 -2.88 2.92 1.01 -0.46 -1.17 121.20 123.64 2bis s ILE 289 Ca 0.05 -0.91 0.00 0.00 0.00 0.00 0.00 60.65 59.79 2bis s ILE 289 Cb -0.14 -1.40 0.00 0.00 0.01 0.00 0.00 42.46 40.93 2bis s ILE 289 CO -0.10 0.48 0.00 0.61 0.00 0.00 0.00 174.94 175.93 2bis n GLY 290 N 2.59 0.89 1.25 6.18 0.00 -0.92 -2.10 105.19 113.08 2bis n GLY 290 Ca -0.15 -2.10 -0.03 0.00 0.00 0.00 0.00 46.02 43.73 2bis n GLY 290 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2bis n LYS 291 N -1.17 0.36 0.00 1.61 0.00 -1.26 -4.03 118.16 113.67 2bis n LYS 291 Ca 0.00 -0.72 0.00 0.00 -0.00 0.00 0.00 58.31 57.59 2bis n LYS 291 Cb 0.00 0.90 0.00 0.00 -0.00 0.00 0.00 35.03 35.93 2bis n LYS 291 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2bis n GLY 292 N -0.18 1.05 3.61 2.58 0.00 -1.26 -0.24 105.19 110.75 2bis n GLY 292 Ca -0.03 -0.35 -0.43 0.00 0.00 0.00 0.00 46.02 45.21 2bis n GLY 292 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2bis s ASP 293 N -4.00 6.05 0.40 1.61 3.68 -0.99 -4.91 116.67 118.52 2bis s ASP 293 Ca 0.00 1.48 0.10 0.00 2.13 0.00 0.00 52.55 56.25 2bis s ASP 293 Cb 0.00 -2.53 0.89 0.00 -1.45 0.00 0.00 42.92 39.83 2bis s ASP 293 CO 0.00 -1.55 1.98 1.55 0.13 0.00 0.00 175.17 177.28 2bis h PRO 294 N 12.19 0.55 -0.35 4.34 0.13 -1.98 0.11 132.00 146.98 2bis h PRO 294 Ca -0.35 -0.03 -0.02 0.00 -0.87 0.00 0.00 66.00 64.73 2bis h PRO 294 Cb 1.17 -0.12 -0.02 0.00 0.13 0.00 0.00 31.00 32.16 2bis h PRO 294 CO 1.01 0.36 0.15 0.93 -0.23 0.00 0.00 178.00 180.23 2bis h GLU 295 N 0.57 0.51 -0.27 0.86 5.08 -2.00 -2.29 114.58 117.03 2bis h GLU 295 Ca 0.27 -0.09 -0.16 0.00 -1.00 0.00 0.00 59.36 58.39 2bis h GLU 295 Cb 0.34 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 2bis h GLU 295 CO -0.08 0.49 -0.47 -0.07 -1.00 0.00 0.00 179.01 177.88 2bis h LEU 296 N 0.42 0.78 -0.43 1.33 3.38 -1.73 -2.49 115.31 116.56 2bis h LEU 296 Ca 0.12 -0.38 0.04 0.00 0.09 0.00 0.00 57.88 57.74 2bis h LEU 296 Cb 0.16 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.65 2bis h LEU 296 CO -0.01 1.12 0.21 -0.33 0.09 0.00 0.00 178.44 179.52 2bis h GLU 297 N 0.57 0.40 -0.55 1.13 5.08 -0.71 -1.06 114.58 119.45 2bis h GLU 297 Ca 0.03 -0.02 -0.11 0.00 -1.00 0.00 0.00 59.36 58.25 2bis h GLU 297 Cb 1.03 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.17 2bis h GLU 297 CO 0.10 0.27 -0.10 0.78 -1.00 0.00 0.00 179.01 179.05 2bis h GLY 298 N 0.42 1.12 0.46 -3.84 0.00 -1.37 -2.01 103.07 97.84 2bis h GLY 298 Ca 0.19 -0.90 0.05 0.00 0.00 0.00 0.00 47.33 46.67 2bis h GLY 298 CO -0.14 0.83 -0.09 -0.25 0.00 0.00 0.00 176.54 176.89 2bis h TRP 299 N 0.91 -0.20 0.04 5.60 7.01 -1.23 -0.12 115.95 127.95 2bis h TRP 299 Ca 0.14 0.02 0.03 0.00 2.11 0.00 0.00 58.89 61.19 2bis h TRP 299 Cb 0.67 0.13 -0.05 0.00 -2.10 0.00 0.00 29.16 27.81 2bis h TRP 299 CO 0.05 -0.14 -0.40 0.00 -2.79 0.00 0.00 178.44 175.15 2bis h ALA 300 N 1.18 -0.66 -0.42 2.65 0.00 -1.07 -2.56 119.26 118.37 2bis h ALA 300 Ca 0.12 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.02 2bis h ALA 300 Cb 0.23 0.70 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 2bis h ALA 300 CO -0.27 -0.95 0.28 0.00 0.00 0.00 0.00 179.25 178.31 2bis h ARG 301 N -0.58 0.39 0.00 0.00 3.08 -1.11 -0.49 114.38 115.67 2bis h ARG 301 Ca 0.04 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.07 2bis h ARG 301 Cb 0.65 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.61 2bis h ARG 301 CO -0.29 0.26 0.00 0.66 -1.07 0.00 0.00 179.97 179.53 2bis h SER 302 N 0.41 0.00 0.50 7.04 4.64 -0.68 0.57 113.55 126.03 2bis h SER 302 Ca 0.18 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 61.21 2bis h SER 302 Cb 0.19 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.24 2bis h SER 302 CO -0.04 0.00 -1.67 -0.07 -0.87 0.00 0.00 176.83 174.18 2bis h LEU 303 N 0.00 0.04 -0.76 5.97 3.38 -0.80 -2.86 115.31 120.28 2bis h LEU 303 Ca 0.00 -0.08 0.01 0.00 0.09 0.00 0.00 57.88 57.90 2bis h LEU 303 Cb 0.59 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.29 2bis h LEU 303 CO 0.00 1.07 0.50 -0.08 0.09 0.00 0.00 178.44 180.02 2bis h GLU 304 N 0.01 1.01 0.12 1.13 4.81 -0.40 -1.65 114.58 119.59 2bis h GLU 304 Ca -0.27 -0.06 -0.27 0.00 -0.13 0.00 0.00 59.36 58.62 2bis h GLU 304 Cb 2.00 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 31.15 2bis h GLU 304 CO 0.09 0.67 -1.26 1.49 -0.73 0.00 0.00 179.01 179.26 2bis h GLU 305 N 1.03 0.25 -0.30 1.92 4.81 -1.06 -3.32 114.58 117.91 2bis h GLU 305 Ca 0.28 -0.42 -0.10 0.00 -0.13 0.00 0.00 59.36 58.99 2bis h GLU 305 Cb -0.12 0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 2bis h GLU 305 CO -0.06 1.18 -0.23 -0.22 -0.73 0.00 0.00 179.01 178.96 2bis h LYS 306 N 0.07 0.56 -5.20 1.92 3.64 -1.46 -3.44 116.57 112.66 2bis h LYS 306 Ca -0.14 -0.21 -0.52 0.00 -1.27 0.00 0.00 60.65 58.51 2bis h LYS 306 Cb 1.96 -0.04 -0.31 0.00 -0.41 0.00 0.00 32.23 33.44 2bis h LYS 306 CO 0.19 0.75 -0.82 -1.01 -2.27 0.00 0.00 179.45 176.29 2bis s HIS 307 N -4.56 1.48 -1.00 1.91 3.76 -0.63 -5.00 115.29 111.25 2bis s HIS 307 Ca -0.08 -0.38 0.05 0.00 -0.15 0.00 0.00 55.06 54.50 2bis s HIS 307 Cb 0.14 -0.99 0.25 0.00 1.11 0.00 0.00 32.58 33.08 2bis s HIS 307 CO 0.80 -0.12 0.95 0.41 -0.85 0.00 0.00 174.74 175.93 2bis n GLY 308 N 3.06 1.60 0.06 -2.22 0.00 -1.26 -3.31 105.19 103.12 2bis n GLY 308 Ca -0.17 -0.28 0.06 0.00 0.00 0.00 0.00 46.02 45.63 2bis n GLY 308 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2bis n ASN 309 N 0.19 0.37 -4.20 1.61 4.05 -1.26 -4.85 115.26 111.17 2bis n ASN 309 Ca 0.09 0.15 -0.32 0.00 0.45 0.00 0.00 54.58 54.94 2bis n ASN 309 Cb 0.48 1.15 -0.17 0.00 1.23 0.00 0.00 39.78 42.48 2bis n ASN 309 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 2bis s VAL 310 N -3.24 2.11 -0.07 3.44 1.01 -1.21 -1.76 120.40 120.69 2bis s VAL 310 Ca -0.05 -0.98 0.01 0.00 0.00 0.00 0.00 61.98 60.96 2bis s VAL 310 Cb 0.11 -1.83 -0.03 0.00 0.00 0.00 0.00 36.38 34.63 2bis s VAL 310 CO 0.85 0.55 -0.09 -0.75 0.00 0.00 0.00 175.10 175.67 2bis s LYS 311 N 0.59 2.71 0.03 2.72 2.47 0.45 -4.57 119.74 124.14 2bis s LYS 311 Ca -0.13 -0.59 0.08 0.00 -1.56 0.00 0.00 55.97 53.78 2bis s LYS 311 Cb -0.17 -2.54 -0.03 0.00 -1.46 0.00 0.00 37.83 33.64 2bis s LYS 311 CO 0.03 0.64 -0.23 0.08 0.16 0.00 0.00 175.35 176.03 2bis s VAL 312 N -0.75 1.87 -0.03 4.02 1.01 -1.26 -0.88 120.40 124.38 2bis s VAL 312 Ca 0.12 -1.23 0.01 0.00 0.00 0.00 0.00 61.98 60.88 2bis s VAL 312 Cb -0.11 -1.60 0.01 0.00 0.00 0.00 0.00 36.38 34.68 2bis s VAL 312 CO 0.01 0.32 -0.05 -0.63 0.00 0.00 0.00 175.10 174.76 2bis s ILE 313 N -0.75 0.50 -0.02 2.22 1.01 -0.31 -4.95 121.20 118.90 2bis s ILE 313 Ca 0.09 -0.17 0.01 0.00 0.00 0.00 0.00 60.65 60.58 2bis s ILE 313 Cb -0.09 -0.49 -0.01 0.00 0.01 0.00 0.00 42.46 41.87 2bis s ILE 313 CO 0.01 0.19 0.02 0.35 0.00 0.00 0.00 174.94 175.52 2bis n THR 314 N 3.62 0.00 -2.33 2.92 -2.24 -1.26 -2.16 114.28 112.84 2bis n THR 314 Ca -0.21 -0.22 -0.26 0.00 -2.27 0.00 0.00 64.05 61.09 2bis n THR 314 Cb 0.53 0.71 0.05 0.00 -2.10 0.00 0.00 70.33 69.52 2bis n THR 314 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 2bis s GLU 315 N -1.62 2.50 0.42 -0.78 -1.05 -1.26 -4.42 118.70 112.49 2bis s GLU 315 Ca -0.00 -0.22 -0.10 0.00 -0.15 0.00 0.00 54.97 54.50 2bis s GLU 315 Cb 0.01 -2.24 -0.06 0.00 -0.44 0.00 0.00 34.13 31.39 2bis s GLU 315 CO 0.03 -0.98 0.78 1.41 0.95 0.00 0.00 175.26 177.46 2bis s MET 316 N -5.10 3.75 0.19 -4.83 -2.45 -1.26 -4.79 119.30 104.81 2bis s MET 316 Ca 0.57 0.45 0.07 0.00 -1.25 0.00 0.00 55.69 55.54 2bis s MET 316 Cb -0.11 -2.37 -0.05 0.00 1.25 0.00 0.00 34.83 33.55 2bis s MET 316 CO 0.44 -0.08 -0.14 -0.51 1.05 0.00 0.00 175.02 175.78 2bis s LEU 317 N -4.01 2.54 0.53 4.11 1.43 -1.26 -5.14 118.68 116.88 2bis s LEU 317 Ca 0.51 -0.99 -0.19 0.00 -1.03 0.00 0.00 54.13 52.43 2bis s LEU 317 Cb -0.10 -0.66 -0.06 0.00 0.03 0.00 0.00 46.19 45.40 2bis s LEU 317 CO 0.34 -0.17 1.06 -0.94 0.23 0.00 0.00 176.35 176.87 2bis s SER 318 N -3.20 6.06 0.38 2.29 1.04 -1.26 -4.91 113.70 114.11 2bis s SER 318 Ca 0.21 1.92 0.10 0.00 0.48 0.00 0.00 55.95 58.66 2bis s SER 318 Cb -0.01 -2.55 0.87 0.00 0.10 0.00 0.00 66.02 64.42 2bis s SER 318 CO 0.06 -0.98 1.92 0.03 0.98 0.00 0.00 173.24 175.25 2bis h ARG 319 N 1.11 0.61 -0.68 4.02 3.08 -2.00 -0.29 114.38 120.22 2bis h ARG 319 Ca -0.49 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 59.50 2bis h ARG 319 Cb 1.23 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 31.11 2bis h ARG 319 CO 0.58 0.40 0.30 0.93 -1.07 0.00 0.00 179.97 181.11 2bis h GLU 320 N 0.62 1.00 -0.09 0.04 3.07 -1.99 0.23 114.58 117.47 2bis h GLU 320 Ca 0.37 -0.17 -0.22 0.00 -0.50 0.00 0.00 59.36 58.84 2bis h GLU 320 Cb 0.58 -0.17 0.01 0.00 -0.84 0.00 0.00 28.75 28.33 2bis h GLU 320 CO -0.14 0.81 -0.83 0.35 -1.40 0.00 0.00 179.01 177.80 2bis h PHE 321 N 0.96 0.91 -0.88 4.33 3.57 -1.76 -2.26 116.94 121.82 2bis h PHE 321 Ca 0.23 -0.43 0.08 0.00 3.53 0.00 0.00 57.97 61.38 2bis h PHE 321 Cb 0.16 -0.13 -0.06 0.00 2.79 0.00 0.00 35.95 38.72 2bis h PHE 321 CO 0.01 1.24 0.57 0.28 -2.23 0.00 0.00 178.31 178.19 2bis h VAL 322 N 0.43 1.02 -0.43 1.41 2.07 -0.82 -0.70 116.25 119.24 2bis h VAL 322 Ca -0.06 -0.32 -0.11 0.00 0.82 0.00 0.00 66.70 67.03 2bis h VAL 322 Cb 1.46 -0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.21 2bis h VAL 322 CO 0.16 0.17 -0.16 -0.09 0.02 0.00 0.00 177.57 177.67 2bis h ARG 323 N 0.94 0.81 -0.38 1.57 2.43 -0.38 -1.55 114.38 117.81 2bis h ARG 323 Ca 0.39 -0.30 -0.06 0.00 -0.81 0.00 0.00 59.98 59.20 2bis h ARG 323 Cb 0.28 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.77 2bis h ARG 323 CO -0.15 0.92 0.01 1.49 -1.51 0.00 0.00 179.97 180.73 2bis h GLU 324 N 0.72 0.67 0.08 0.20 4.81 -0.83 -1.58 114.58 118.65 2bis h GLU 324 Ca 0.11 -0.21 0.00 0.00 -0.13 0.00 0.00 59.36 59.14 2bis h GLU 324 Cb 0.67 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.96 2bis h GLU 324 CO 0.05 0.76 -0.25 -0.07 -0.73 0.00 0.00 179.01 178.77 2bis h LEU 325 N 0.49 -0.74 -1.18 1.64 3.38 -0.98 -2.52 115.31 115.41 2bis h LEU 325 Ca 0.11 0.08 0.31 0.00 0.09 0.00 0.00 57.88 58.46 2bis h LEU 325 Cb 0.45 0.27 -0.12 0.00 0.09 0.00 0.00 40.66 41.34 2bis h LEU 325 CO 0.02 -0.27 0.65 1.88 0.09 0.00 0.00 178.44 180.81 2bis h TYR 326 N -0.37 0.80 -0.01 1.13 0.99 -1.30 0.14 116.97 118.35 2bis h TYR 326 Ca -0.01 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.75 2bis h TYR 326 Cb 0.37 -0.22 0.00 0.00 1.00 0.00 0.00 36.73 37.87 2bis h TYR 326 CO -0.34 -0.05 0.00 0.41 -0.00 0.00 0.00 178.16 178.17 2bis n GLY 327 N -1.39 -0.83 0.88 3.88 0.00 -0.60 -3.65 105.19 103.49 2bis n GLY 327 Ca 0.30 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.12 2bis n GLY 327 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2bis n SER 328 N -0.71 0.69 -4.54 1.61 7.64 0.42 -4.88 113.62 113.85 2bis n SER 328 Ca 0.18 0.00 -0.28 0.00 1.01 0.00 0.00 58.87 59.78 2bis n SER 328 Cb 0.12 0.00 0.23 0.00 -1.01 0.00 0.00 64.21 63.55 2bis n SER 328 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 2bis s VAL 329 N -1.98 2.05 -0.15 0.44 -7.23 -0.74 -4.49 120.40 108.29 2bis s VAL 329 Ca 0.00 0.01 0.18 0.00 -1.81 0.00 0.00 61.98 60.36 2bis s VAL 329 Cb 0.00 -2.17 -0.25 0.00 0.56 0.00 0.00 36.38 34.52 2bis s VAL 329 CO 0.00 -0.02 0.26 0.47 -0.31 0.00 0.00 175.10 175.51 2bis n ASP 330 N -4.73 0.20 -3.81 4.85 10.43 -0.14 -4.67 116.55 118.67 2bis n ASP 330 Ca 0.04 0.09 -0.12 0.00 2.57 0.00 0.00 54.79 57.37 2bis n ASP 330 Cb 0.55 0.88 -0.11 0.00 1.84 0.00 0.00 41.12 44.27 2bis n ASP 330 CO 0.00 0.00 0.00 -0.36 -1.07 0.00 0.00 177.20 175.77 2bis s PHE 331 N -2.65 -0.17 -0.17 1.24 0.40 -0.57 -2.56 117.98 113.49 2bis s PHE 331 Ca -0.08 0.39 -0.04 0.00 -0.60 0.00 0.00 56.93 56.60 2bis s PHE 331 Cb 0.07 0.05 -0.03 0.00 0.51 0.00 0.00 43.02 43.63 2bis s PHE 331 CO 0.84 -0.16 -0.02 0.08 0.70 0.00 0.00 175.22 176.66 2bis s VAL 332 N -0.26 3.89 -0.24 -0.44 1.01 -0.76 0.09 120.40 123.69 2bis s VAL 332 Ca -0.04 -0.35 -0.13 0.00 0.00 0.00 0.00 61.98 61.47 2bis s VAL 332 Cb -0.03 -2.73 -0.04 0.00 0.00 0.00 0.00 36.38 33.58 2bis s VAL 332 CO 0.01 0.47 0.27 -0.63 0.00 0.00 0.00 175.10 175.21 2bis s ILE 333 N 0.65 5.27 -0.52 2.22 1.01 0.11 0.07 121.20 130.01 2bis s ILE 333 Ca -0.02 0.40 0.04 0.00 0.00 0.00 0.00 60.65 61.07 2bis s ILE 333 Cb -0.14 -3.61 0.13 0.00 0.01 0.00 0.00 42.46 38.85 2bis s ILE 333 CO 0.02 0.27 0.26 -0.63 0.00 0.00 0.00 174.94 174.87 2bis s ILE 334 N 1.42 2.48 -0.47 2.92 1.09 0.22 -4.55 121.20 124.31 2bis s ILE 334 Ca 0.12 -3.28 -0.02 0.00 -1.10 0.00 0.00 60.65 56.37 2bis s ILE 334 Cb -0.15 -2.72 0.26 0.00 -1.06 0.00 0.00 42.46 38.79 2bis s ILE 334 CO 0.07 -0.81 2.15 -0.81 -0.10 0.00 0.00 174.94 175.44 2bis n PRO 335 N 3.11 2.21 -1.55 2.79 -0.04 -1.26 -1.55 135.00 138.71 2bis n PRO 335 Ca 0.06 -2.30 -0.32 0.00 -0.04 0.00 0.00 63.50 60.90 2bis n PRO 335 Cb 0.32 -1.93 0.07 0.00 -0.04 0.00 0.00 33.50 31.92 2bis n PRO 335 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2bis s SER 336 N -0.43 4.85 -0.06 3.54 0.01 -1.22 -3.94 113.70 116.45 2bis s SER 336 Ca 0.46 1.93 -0.16 0.00 1.31 0.00 0.00 55.95 59.50 2bis s SER 336 Cb 0.35 -2.54 -0.30 0.00 0.21 0.00 0.00 66.02 63.74 2bis s SER 336 CO -0.07 -1.80 0.73 1.88 0.41 0.00 0.00 173.24 174.39 2bis h TYR 337 N -0.44 0.62 -3.87 2.43 -1.99 -0.76 -3.42 116.97 109.55 2bis h TYR 337 Ca -0.45 -0.46 -0.26 0.00 2.00 0.00 0.00 58.73 59.56 2bis h TYR 337 Cb 1.24 -0.02 -0.18 0.00 2.00 0.00 0.00 36.73 39.76 2bis h TYR 337 CO 0.56 1.53 -0.72 -0.59 -0.00 0.00 0.00 178.16 178.94 2bis s PHE 338 N -2.51 0.83 -0.29 4.88 -0.12 -1.26 -4.86 117.98 114.66 2bis s PHE 338 Ca -0.16 -0.69 0.03 0.00 -0.05 0.00 0.00 56.93 56.07 2bis s PHE 338 Cb 0.04 -0.48 0.18 0.00 -0.63 0.00 0.00 43.02 42.13 2bis s PHE 338 CO 0.83 -0.09 0.53 -2.00 -0.05 0.00 0.00 175.22 174.44 2bis s GLU 339 N -2.66 0.51 0.16 1.99 2.56 -1.26 -4.93 118.70 115.07 2bis s GLU 339 Ca 0.01 0.51 -0.22 0.00 0.00 0.00 0.00 54.97 55.27 2bis s GLU 339 Cb -0.03 0.09 0.04 0.00 2.00 0.00 0.00 34.13 36.24 2bis s GLU 339 CO -0.02 -0.95 1.63 -1.35 -0.56 0.00 0.00 175.26 174.01 2bis h PRO 340 N 8.06 -0.22 0.00 4.30 0.11 -1.91 -1.82 132.00 140.52 2bis h PRO 340 Ca -0.08 0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.05 2bis h PRO 340 Cb 1.16 0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2bis h PRO 340 CO 0.21 -0.15 0.00 0.34 -0.21 0.00 0.00 178.00 178.19 2bis n PHE 341 N -5.38 0.00 0.00 0.65 -0.00 -1.26 -3.16 117.46 108.30 2bis n PHE 341 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 2bis n PHE 341 Cb 0.30 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 39.78 2bis n PHE 341 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2bis n GLY 342 N 3.82 0.55 0.36 7.13 0.00 -1.26 -3.08 105.19 112.70 2bis n GLY 342 Ca 0.00 -0.60 -0.03 0.00 0.00 0.00 0.00 46.02 45.39 2bis n GLY 342 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2bis h LEU 343 N 0.00 1.06 -0.53 0.99 5.85 -1.99 -3.04 115.31 117.65 2bis h LEU 343 Ca 0.00 -0.08 0.10 0.00 0.84 0.00 0.00 57.88 58.74 2bis h LEU 343 Cb 0.00 -0.27 -0.09 0.00 0.37 0.00 0.00 40.66 40.67 2bis h LEU 343 CO 0.00 0.84 -0.03 0.58 -0.34 0.00 0.00 178.44 179.48 2bis h VAL 344 N 1.20 0.55 -0.35 1.05 2.07 -1.98 0.95 116.25 119.74 2bis h VAL 344 Ca 0.31 -0.03 0.02 0.00 0.82 0.00 0.00 66.70 67.82 2bis h VAL 344 Cb -0.00 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 30.21 2bis h VAL 344 CO -0.05 0.02 0.23 0.00 0.02 0.00 0.00 177.57 177.79 2bis h ALA 345 N 1.49 1.83 0.13 1.67 0.00 -1.95 0.52 119.26 122.95 2bis h ALA 345 Ca 0.26 -0.02 -0.29 0.00 0.00 0.00 0.00 54.91 54.86 2bis h ALA 345 Cb 0.41 -0.11 0.02 0.00 0.00 0.00 0.00 17.79 18.11 2bis h ALA 345 CO -0.47 0.13 -1.25 -0.07 0.00 0.00 0.00 179.25 177.60 2bis h LEU 346 N 0.40 0.73 -0.27 0.00 3.38 -0.93 0.95 115.31 119.58 2bis h LEU 346 Ca 0.14 -0.70 -0.02 0.00 0.09 0.00 0.00 57.88 57.39 2bis h LEU 346 Cb 0.06 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 2bis h LEU 346 CO -0.03 1.52 0.10 -0.33 0.09 0.00 0.00 178.44 179.80 2bis h GLU 347 N 0.21 0.40 0.05 1.13 5.08 -0.85 -0.64 114.58 119.95 2bis h GLU 347 Ca -0.17 -0.07 0.02 0.00 -1.00 0.00 0.00 59.36 58.14 2bis h GLU 347 Cb 1.93 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 31.06 2bis h GLU 347 CO 0.23 0.44 -0.44 0.00 -1.00 0.00 0.00 179.01 178.23 2bis h ALA 348 N 0.95 -0.75 -0.68 3.43 0.00 -0.89 -2.94 119.26 118.37 2bis h ALA 348 Ca 0.09 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 2bis h ALA 348 Cb 0.19 0.77 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 2bis h ALA 348 CO -0.01 -1.00 0.35 0.52 0.00 0.00 0.00 179.25 179.11 2bis h MET 349 N -0.63 0.95 -0.71 0.00 2.86 -0.64 -1.33 114.93 115.44 2bis h MET 349 Ca 0.03 -0.12 0.13 0.00 -2.06 0.00 0.00 59.70 57.69 2bis h MET 349 Cb 0.68 -0.18 -0.09 0.00 0.06 0.00 0.00 31.60 32.07 2bis h MET 349 CO -0.30 0.72 0.25 0.00 1.06 0.00 0.00 176.91 178.64 2bis n LEU 351 N -5.04 1.69 0.00 0.00 4.77 -0.59 -4.71 117.00 113.12 2bis n LEU 351 Ca 0.13 -0.70 0.00 0.00 -0.03 0.00 0.00 56.01 55.40 2bis n LEU 351 Cb 0.38 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.37 2bis n LEU 351 CO 0.18 0.35 0.00 0.61 -1.33 0.00 0.00 177.39 177.20 2bis n GLY 352 N 1.14 0.72 3.70 -0.72 0.00 -0.52 -4.36 105.19 105.15 2bis n GLY 352 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 2bis n GLY 352 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bis s ALA 353 N -2.70 3.45 -0.15 4.61 0.00 -0.69 -4.67 121.76 121.61 2bis s ALA 353 Ca 0.00 0.73 -0.26 0.00 0.00 0.00 0.00 51.96 52.43 2bis s ALA 353 Cb 0.00 -3.49 -0.02 0.00 0.00 0.00 0.00 23.12 19.61 2bis s ALA 353 CO 0.00 -0.63 0.85 0.42 0.00 0.00 0.00 175.76 176.40 2bis s ILE 354 N 1.74 4.88 0.31 0.00 1.01 -1.06 -3.34 121.20 124.74 2bis s ILE 354 Ca 0.58 1.68 -0.25 0.00 0.00 0.00 0.00 60.65 62.65 2bis s ILE 354 Cb -0.27 -4.15 -0.10 0.00 0.01 0.00 0.00 42.46 37.95 2bis s ILE 354 CO 0.25 0.04 0.90 -2.16 0.00 0.00 0.00 174.94 173.97 2bis s PRO 355 N 2.03 4.51 -0.22 2.79 0.04 -1.26 -1.83 135.00 141.07 2bis s PRO 355 Ca 0.40 1.23 -0.00 0.00 0.04 0.00 0.00 61.00 62.67 2bis s PRO 355 Cb -0.17 -2.80 0.06 0.00 0.04 0.00 0.00 34.50 31.63 2bis s PRO 355 CO 0.14 0.29 -0.03 0.42 0.04 0.00 0.00 177.00 177.86 2bis s ILE 356 N -1.61 1.26 0.02 0.56 1.01 0.11 -2.32 121.20 120.22 2bis s ILE 356 Ca 0.49 -1.00 0.00 0.00 0.00 0.00 0.00 60.65 60.14 2bis s ILE 356 Cb -0.18 -1.57 -0.02 0.00 0.01 0.00 0.00 42.46 40.71 2bis s ILE 356 CO 0.23 -0.10 -0.03 0.00 0.00 0.00 0.00 174.94 175.05 2bis s ALA 357 N 1.53 0.12 0.37 9.38 0.00 -0.44 0.70 121.76 133.42 2bis s ALA 357 Ca -0.04 -0.47 -0.27 0.00 0.00 0.00 0.00 51.96 51.18 2bis s ALA 357 Cb -0.18 0.11 -0.11 0.00 0.00 0.00 0.00 23.12 22.93 2bis s ALA 357 CO -0.07 -0.11 1.29 0.43 0.00 0.00 0.00 175.76 177.30 2bis n SER 358 N 1.93 2.73 -4.10 0.00 7.64 -0.59 -1.55 113.62 119.68 2bis n SER 358 Ca -0.21 1.18 -0.43 0.00 1.01 0.00 0.00 58.87 60.42 2bis n SER 358 Cb 0.56 -1.50 0.00 0.00 -1.01 0.00 0.00 64.21 62.27 2bis n SER 358 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2bis n ALA 359 N 0.16 4.72 0.00 -0.43 0.00 -0.55 -4.54 120.51 119.87 2bis n ALA 359 Ca 0.05 -4.03 0.00 0.00 0.00 0.00 0.00 53.44 49.46 2bis n ALA 359 Cb 0.37 -3.35 0.00 0.00 0.00 0.00 0.00 19.45 16.47 2bis n ALA 359 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2bis n VAL 360 N 4.95 0.00 0.00 0.00 0.24 -1.26 -4.86 118.33 117.41 2bis n VAL 360 Ca 0.46 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.76 2bis n VAL 360 Cb 0.41 0.18 0.00 0.00 -1.47 0.00 0.00 33.84 32.96 2bis n VAL 360 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2bis n GLY 361 N 1.90 1.43 0.23 7.63 0.00 -1.25 -4.40 105.19 110.74 2bis n GLY 361 Ca 0.00 0.28 0.06 0.00 0.00 0.00 0.00 46.02 46.35 2bis n GLY 361 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2bis h GLY 362 N 0.00 0.03 0.37 -0.02 0.00 -1.28 -2.76 103.07 99.41 2bis h GLY 362 Ca 0.00 -0.02 0.11 0.00 0.00 0.00 0.00 47.33 47.42 2bis h GLY 362 CO 0.00 0.02 0.36 1.41 0.00 0.00 0.00 176.54 178.32 2bis h LEU 363 N 0.03 0.44 -1.50 3.11 3.38 -1.78 1.25 115.31 120.24 2bis h LEU 363 Ca 0.01 0.07 0.06 0.00 0.09 0.00 0.00 57.88 58.11 2bis h LEU 363 Cb 0.25 0.01 -0.04 0.00 0.09 0.00 0.00 40.66 40.97 2bis h LEU 363 CO 0.02 0.23 0.41 -0.09 0.09 0.00 0.00 178.44 179.09 2bis h ARG 364 N 0.58 0.60 0.11 1.13 2.43 -1.73 0.48 114.38 117.97 2bis h ARG 364 Ca 0.38 -0.04 -0.14 0.00 -0.81 0.00 0.00 59.98 59.38 2bis h ARG 364 Cb 0.46 -0.13 0.02 0.00 -0.42 0.00 0.00 29.97 29.89 2bis h ARG 364 CO -0.31 0.39 -0.60 -0.44 -1.51 0.00 0.00 179.97 177.50 2bis h ASP 365 N 0.61 0.35 -0.53 -3.80 3.32 -0.44 -3.39 116.42 112.55 2bis h ASP 365 Ca 0.26 -0.97 -0.04 0.00 0.02 0.00 0.00 57.03 56.31 2bis h ASP 365 Cb 0.26 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.67 2bis h ASP 365 CO -0.08 1.29 0.19 0.40 -1.72 0.00 0.00 179.24 179.32 2bis h ILE 366 N -0.53 1.22 -3.04 0.35 2.04 0.18 -3.43 117.51 114.29 2bis h ILE 366 Ca -0.11 -0.73 -0.62 0.00 1.00 0.00 0.00 64.86 64.41 2bis h ILE 366 Cb 1.48 0.71 -0.08 0.00 -0.74 0.00 0.00 36.82 38.19 2bis h ILE 366 CO 0.11 0.27 -0.35 -0.63 0.00 0.00 0.00 178.15 177.55 2bis s ILE 367 N -5.48 5.31 0.41 -0.67 1.01 0.12 -5.01 121.20 116.89 2bis s ILE 367 Ca -0.13 0.49 0.04 0.00 0.00 0.00 0.00 60.65 61.05 2bis s ILE 367 Cb 0.12 -3.57 -0.04 0.00 0.01 0.00 0.00 42.46 38.97 2bis s ILE 367 CO 0.79 0.50 0.06 0.42 0.00 0.00 0.00 174.94 176.71 2bis s THR 368 N -0.32 1.15 0.44 2.92 -4.23 -1.26 -4.74 115.64 109.60 2bis s THR 368 Ca 0.17 -2.00 0.26 0.00 -1.18 0.00 0.00 61.69 58.94 2bis s THR 368 Cb -0.13 -2.56 0.28 0.00 1.34 0.00 0.00 72.50 71.44 2bis s THR 368 CO 0.06 0.00 2.09 0.78 -0.54 0.00 0.00 174.62 177.00 2bis h ASN 369 N 1.79 0.00 0.40 3.99 -0.26 -1.99 -0.13 115.58 119.38 2bis h ASN 369 Ca -0.40 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.34 2bis h ASN 369 Cb 1.27 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.53 2bis h ASN 369 CO 0.69 0.11 -0.58 -0.62 -1.06 0.00 0.00 177.43 175.97 2bis n GLU 370 N -3.77 0.04 -0.01 0.81 4.71 -1.26 -4.28 120.64 116.87 2bis n GLU 370 Ca -0.02 -0.02 -0.00 0.00 -0.01 0.00 0.00 57.16 57.10 2bis n GLU 370 Cb 0.22 -1.50 -0.04 0.00 -1.01 0.00 0.00 31.44 29.11 2bis n GLU 370 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 177.13 177.47 2bis n THR 371 N -1.46 0.19 -2.29 2.62 -2.24 -0.95 -4.64 114.28 105.51 2bis n THR 371 Ca 0.06 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 2bis n THR 371 Cb 0.34 -0.28 0.00 0.00 -2.10 0.00 0.00 70.33 68.29 2bis n THR 371 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2bis n GLY 372 N 2.45 1.69 2.75 3.38 0.00 -0.10 -4.39 105.19 110.96 2bis n GLY 372 Ca -0.05 -0.55 -0.22 0.00 0.00 0.00 0.00 46.02 45.20 2bis n GLY 372 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2bis s ILE 373 N -1.93 0.24 -0.10 -0.61 1.01 -0.98 -4.45 121.20 114.39 2bis s ILE 373 Ca 0.00 0.20 -0.05 0.00 0.00 0.00 0.00 60.65 60.80 2bis s ILE 373 Cb 0.00 -0.42 -0.04 0.00 0.01 0.00 0.00 42.46 42.01 2bis s ILE 373 CO 0.00 0.23 0.09 -0.76 0.00 0.00 0.00 174.94 174.51 2bis s LEU 374 N 1.97 4.09 0.06 2.97 1.43 -1.26 -1.33 118.68 126.61 2bis s LEU 374 Ca 0.04 0.34 0.01 0.00 -1.03 0.00 0.00 54.13 53.50 2bis s LEU 374 Cb -0.12 -2.01 -0.03 0.00 0.03 0.00 0.00 46.19 44.05 2bis s LEU 374 CO -0.04 0.39 -0.06 0.68 0.23 0.00 0.00 176.35 177.54 2bis s VAL 375 N -1.00 0.52 0.46 -1.59 -7.23 -0.60 -4.93 120.40 106.05 2bis s VAL 375 Ca 0.15 -1.49 -0.22 0.00 -1.81 0.00 0.00 61.98 58.61 2bis s VAL 375 Cb -0.12 -1.11 -0.08 0.00 0.56 0.00 0.00 36.38 35.63 2bis s VAL 375 CO 0.04 -0.66 1.12 -1.59 -0.31 0.00 0.00 175.10 173.70 2bis s LYS 376 N -2.75 3.78 0.35 4.82 -2.85 -1.26 -1.48 119.74 120.36 2bis s LYS 376 Ca 0.00 1.63 -0.08 0.00 -1.00 0.00 0.00 55.97 56.52 2bis s LYS 376 Cb -0.02 -2.32 -0.06 0.00 -2.06 0.00 0.00 37.83 33.37 2bis s LYS 376 CO -0.03 -0.50 0.68 0.00 0.10 0.00 0.00 175.35 175.60 2bis s ALA 377 N -1.67 3.46 -0.87 0.59 0.00 -1.26 -4.35 121.76 117.67 2bis s ALA 377 Ca 0.64 -0.33 -0.02 0.00 0.00 0.00 0.00 51.96 52.25 2bis s ALA 377 Cb -0.25 -2.54 0.00 0.00 0.00 0.00 0.00 23.12 20.33 2bis s ALA 377 CO 0.30 0.12 0.74 0.41 0.00 0.00 0.00 175.76 177.32 2bis n GLY 378 N -1.08 -0.11 3.11 0.00 0.00 -1.26 -5.02 105.19 100.84 2bis n GLY 378 Ca 0.01 -0.06 -0.02 0.00 0.00 0.00 0.00 46.02 45.94 2bis n GLY 378 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2bis s ASP 379 N -3.71 -0.99 0.48 1.61 -1.08 -1.26 -5.02 116.67 106.69 2bis s ASP 379 Ca 0.13 -0.83 0.14 0.00 -0.52 0.00 0.00 52.55 51.47 2bis s ASP 379 Cb -0.06 1.69 1.13 0.00 -1.46 0.00 0.00 42.92 44.22 2bis s ASP 379 CO 0.51 -0.20 2.08 -0.65 0.52 0.00 0.00 175.17 177.42 2bis h PRO 380 N 7.13 0.22 0.44 4.34 0.11 -1.93 -2.26 132.00 140.06 2bis h PRO 380 Ca 0.04 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.12 2bis h PRO 380 Cb 1.16 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.22 2bis h PRO 380 CO 0.13 0.15 -0.21 0.78 -0.21 0.00 0.00 178.00 178.63 2bis h GLY 381 N 0.23 -0.62 2.00 -0.55 0.00 -1.93 0.20 103.07 102.39 2bis h GLY 381 Ca 0.12 0.23 -0.05 0.00 0.00 0.00 0.00 47.33 47.63 2bis h GLY 381 CO -0.02 -0.23 -0.22 0.83 0.00 0.00 0.00 176.54 176.90 2bis h GLU 382 N -0.66 0.00 -0.04 4.80 4.39 -1.86 -1.33 114.58 119.87 2bis h GLU 382 Ca -0.06 0.00 -0.22 0.00 0.34 0.00 0.00 59.36 59.42 2bis h GLU 382 Cb 0.49 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.16 2bis h GLU 382 CO 0.10 0.22 -0.82 1.25 -1.16 0.00 0.00 179.01 178.60 2bis h LEU 383 N 0.00 0.79 -0.82 1.33 5.85 -1.24 -2.72 115.31 118.50 2bis h LEU 383 Ca -0.00 -0.71 -0.07 0.00 0.84 0.00 0.00 57.88 57.94 2bis h LEU 383 Cb 0.47 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.23 2bis h LEU 383 CO 0.03 1.39 0.15 0.00 -0.34 0.00 0.00 178.44 179.67 2bis h ALA 384 N 0.41 1.03 -0.40 1.25 0.00 -0.10 -0.14 119.26 121.31 2bis h ALA 384 Ca -0.09 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.52 2bis h ALA 384 Cb 1.48 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 2bis h ALA 384 CO 0.16 0.63 -0.00 -0.91 0.00 0.00 0.00 179.25 179.13 2bis h ASN 385 N 0.98 0.61 -0.40 0.00 2.35 -1.30 -1.45 115.58 116.36 2bis h ASN 385 Ca 0.21 -0.13 -0.09 0.00 -0.55 0.00 0.00 56.30 55.73 2bis h ASN 385 Cb 0.36 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.56 2bis h ASN 385 CO 0.00 0.69 -0.10 0.00 -1.65 0.00 0.00 177.43 176.37 2bis h ALA 386 N 1.39 0.56 -0.33 -0.83 0.00 -1.15 0.27 119.26 119.17 2bis h ALA 386 Ca 0.13 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 2bis h ALA 386 Cb 0.39 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 2bis h ALA 386 CO 0.01 0.43 0.14 0.82 0.00 0.00 0.00 179.25 180.66 2bis h ILE 387 N 0.60 1.12 -0.18 0.00 2.04 -0.79 -0.68 117.51 119.62 2bis h ILE 387 Ca 0.10 -0.37 -0.18 0.00 1.00 0.00 0.00 64.86 65.41 2bis h ILE 387 Cb 0.62 0.72 -0.00 0.00 -0.74 0.00 0.00 36.82 37.42 2bis h ILE 387 CO 0.04 0.14 -0.62 0.25 0.00 0.00 0.00 178.15 177.97 2bis h LEU 388 N 0.46 0.70 -0.27 1.44 5.85 -0.85 -2.65 115.31 119.98 2bis h LEU 388 Ca 0.12 -0.40 -0.21 0.00 0.84 0.00 0.00 57.88 58.23 2bis h LEU 388 Cb 0.08 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 40.90 2bis h LEU 388 CO -0.01 1.15 -0.86 0.11 -0.34 0.00 0.00 178.44 178.49 2bis h LYS 389 N 0.46 0.36 -0.55 1.25 6.56 -0.54 -2.91 116.57 121.20 2bis h LYS 389 Ca -0.01 -0.36 0.00 0.00 -1.06 0.00 0.00 60.65 59.23 2bis h LYS 389 Cb 1.19 0.09 -0.03 0.00 -0.57 0.00 0.00 32.23 32.92 2bis h LYS 389 CO 0.12 1.03 0.35 0.00 -2.06 0.00 0.00 179.45 178.88 2bis h ALA 390 N 0.86 1.58 -0.43 3.86 0.00 -1.15 -2.43 119.26 121.55 2bis h ALA 390 Ca -0.06 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 2bis h ALA 390 Cb 1.47 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 2bis h ALA 390 CO 0.14 0.38 0.15 1.25 0.00 0.00 0.00 179.25 181.17 2bis h LEU 391 N 0.75 0.62 -1.78 0.00 5.85 -1.31 -2.73 115.31 116.70 2bis h LEU 391 Ca 0.20 -0.19 0.12 0.00 0.84 0.00 0.00 57.88 58.85 2bis h LEU 391 Cb -0.06 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 40.78 2bis h LEU 391 CO -0.04 0.64 0.38 -0.33 -0.34 0.00 0.00 178.44 178.75 2bis h GLU 392 N 0.56 0.23 -6.35 1.25 5.08 -1.25 -3.41 114.58 110.70 2bis h GLU 392 Ca 0.14 -0.01 -0.57 0.00 -1.00 0.00 0.00 59.36 57.92 2bis h GLU 392 Cb 0.23 -0.05 0.02 0.00 0.50 0.00 0.00 28.75 29.45 2bis h GLU 392 CO -0.01 0.15 1.14 1.28 -1.00 0.00 0.00 179.01 180.58 2bis n LEU 393 N -4.44 3.79 0.00 1.33 4.77 -1.03 -4.90 117.00 116.51 2bis n LEU 393 Ca 0.10 0.95 0.00 0.00 -0.03 0.00 0.00 56.01 57.03 2bis n LEU 393 Cb 0.46 -1.46 0.00 0.00 -2.33 0.00 0.00 43.42 40.09 2bis n LEU 393 CO 0.35 0.07 0.08 -1.54 -1.33 0.00 0.00 177.39 175.02 2bis n SER 394 N 6.74 0.00 0.07 -1.43 3.41 -1.26 -4.88 113.62 116.27 2bis n SER 394 Ca 0.21 0.26 0.00 0.00 -0.26 0.00 0.00 58.87 59.08 2bis n SER 394 Cb 0.35 -0.13 0.00 0.00 -0.26 0.00 0.00 64.21 64.17 2bis n SER 394 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 2bis n ARG 395 N -0.89 0.00 -0.06 4.33 0.63 -1.26 -4.85 116.66 114.56 2bis n ARG 395 Ca 0.00 0.00 0.02 0.00 -0.92 0.00 0.00 57.85 56.95 2bis n ARG 395 Cb 0.00 0.00 0.34 0.00 0.45 0.00 0.00 32.46 33.25 2bis n ARG 395 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 2bis h SER 396 N 0.00 0.59 -0.95 6.15 4.64 -2.00 -0.41 113.55 121.57 2bis h SER 396 Ca 0.00 -0.04 0.17 0.00 -0.47 0.00 0.00 61.79 61.45 2bis h SER 396 Cb 0.00 -0.15 -0.08 0.00 -0.31 0.00 0.00 62.40 61.86 2bis h SER 396 CO 0.00 0.49 0.60 0.44 -0.87 0.00 0.00 176.83 177.49 2bis h ASP 397 N 0.67 0.65 0.14 4.97 3.32 -1.95 -2.65 116.42 121.57 2bis h ASP 397 Ca 0.17 0.06 -0.28 0.00 0.02 0.00 0.00 57.03 57.00 2bis h ASP 397 Cb 0.04 -0.06 0.02 0.00 0.22 0.00 0.00 39.33 39.55 2bis h ASP 397 CO -0.03 0.28 -1.15 -0.07 -1.72 0.00 0.00 179.24 176.56 2bis h LEU 398 N 0.66 0.83 -0.84 1.55 3.38 -1.44 -3.14 115.31 116.32 2bis h LEU 398 Ca 0.50 -0.73 0.18 0.00 0.09 0.00 0.00 57.88 57.93 2bis h LEU 398 Cb 0.89 -0.26 -0.11 0.00 0.09 0.00 0.00 40.66 41.27 2bis h LEU 398 CO -0.26 1.53 0.35 -1.28 0.09 0.00 0.00 178.44 178.87 2bis h SER 399 N 0.30 0.31 0.74 -0.43 0.87 -0.96 -1.93 113.55 112.46 2bis h SER 399 Ca -0.16 0.13 -0.25 0.00 -1.23 0.00 0.00 61.79 60.28 2bis h SER 399 Cb 1.81 0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 63.88 2bis h SER 399 CO 0.22 0.05 -1.19 0.50 -0.53 0.00 0.00 176.83 175.88 2bis h LYS 400 N 0.43 0.17 -0.88 2.24 1.63 -1.64 -2.88 116.57 115.65 2bis h LYS 400 Ca 0.49 -0.29 0.16 0.00 -0.85 0.00 0.00 60.65 60.17 2bis h LYS 400 Cb 0.85 0.11 -0.07 0.00 -0.60 0.00 0.00 32.23 32.52 2bis h LYS 400 CO -0.47 1.12 0.57 0.74 -3.45 0.00 0.00 179.45 177.95 2bis h PHE 401 N 0.05 0.71 -0.09 1.91 -1.00 -1.38 -1.48 116.94 115.65 2bis h PHE 401 Ca -0.10 0.02 -0.20 0.00 2.81 0.00 0.00 57.97 60.50 2bis h PHE 401 Cb 1.91 -0.22 0.01 0.00 3.61 0.00 0.00 35.95 41.26 2bis h PHE 401 CO 0.04 0.24 -0.73 0.00 -1.61 0.00 0.00 178.31 176.25 2bis h ARG 402 N 0.58 0.66 -0.04 1.51 3.08 -1.33 -2.41 114.38 116.43 2bis h ARG 402 Ca 0.45 -0.58 0.01 0.00 0.07 0.00 0.00 59.98 59.92 2bis h ARG 402 Cb 0.85 0.14 -0.01 0.00 0.08 0.00 0.00 29.97 31.03 2bis h ARG 402 CO -0.19 1.20 -0.00 1.49 -1.07 0.00 0.00 179.97 181.39 2bis h GLU 403 N 0.32 0.01 -0.48 0.04 4.57 -1.34 -1.84 114.58 115.86 2bis h GLU 403 Ca -0.07 -0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.09 2bis h GLU 403 Cb 1.38 -0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.94 2bis h GLU 403 CO 0.15 0.01 0.22 -0.91 -1.18 0.00 0.00 179.01 177.29 2bis h ASN 404 N 0.01 0.61 -0.28 1.04 2.35 -1.32 -2.00 115.58 116.00 2bis h ASN 404 Ca 0.02 -0.06 -0.09 0.00 -0.55 0.00 0.00 56.30 55.63 2bis h ASN 404 Cb 0.02 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.23 2bis h ASN 404 CO -0.04 0.53 -0.16 0.00 -1.65 0.00 0.00 177.43 176.11 2bis h LYS 406 N 0.34 0.83 -0.13 0.00 1.57 -1.15 0.34 116.57 118.37 2bis h LYS 406 Ca 0.06 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 2bis h LYS 406 Cb 0.69 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.82 2bis h LYS 406 CO 0.05 0.59 0.05 0.87 -0.57 0.00 0.00 179.45 180.43 2bis h LYS 407 N 0.83 0.20 -0.29 3.15 1.57 -1.27 -2.34 116.57 118.42 2bis h LYS 407 Ca 0.22 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.95 2bis h LYS 407 Cb -0.03 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 2bis h LYS 407 CO -0.04 0.32 0.14 -0.09 -0.57 0.00 0.00 179.45 179.20 2bis h ARG 408 N 0.04 0.42 -0.10 3.15 2.43 -0.56 -2.61 114.38 117.15 2bis h ARG 408 Ca 0.04 -0.06 0.01 0.00 -0.81 0.00 0.00 59.98 59.16 2bis h ARG 408 Cb 0.20 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 29.67 2bis h ARG 408 CO -0.00 0.40 0.06 0.00 -1.51 0.00 0.00 179.97 178.92 2bis h ALA 409 N 0.99 1.96 0.00 2.80 0.00 -0.27 -1.67 119.26 123.07 2bis h ALA 409 Ca 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2bis h ALA 409 Cb 0.13 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2bis h ALA 409 CO -0.01 0.03 0.00 0.52 0.00 0.00 0.00 179.25 179.79 2bis h MET 410 N 0.11 0.00 -0.00 0.00 2.86 -1.04 -2.88 114.93 113.97 2bis h MET 410 Ca 0.04 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.68 2bis h MET 410 Cb 0.02 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.68 2bis h MET 410 CO -0.01 0.00 -0.05 -1.13 1.06 0.00 0.00 176.91 176.79 2bis n SER 411 N -3.05 0.07 -2.89 1.22 3.41 -0.63 -3.72 113.62 108.03 2bis n SER 411 Ca 0.03 0.19 -0.34 0.00 -0.26 0.00 0.00 58.87 58.49 2bis n SER 411 Cb 0.48 -0.35 -0.01 0.00 -0.26 0.00 0.00 64.21 64.06 2bis n SER 411 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 2bis n PHE 412 N -1.40 2.26 -2.50 7.33 3.01 -1.09 -4.89 117.46 120.17 2bis n PHE 412 Ca 0.09 -2.25 -0.35 0.00 1.01 0.00 0.00 57.45 55.96 2bis n PHE 412 Cb 0.31 -1.38 -0.03 0.00 -0.01 0.00 0.00 39.48 38.37 2bis n PHE 412 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 2bis s SER 413 N -0.22 6.33 0.53 4.37 1.04 -1.24 -1.58 113.70 122.93 2bis s SER 413 Ca 0.54 1.98 0.19 0.00 0.48 0.00 0.00 55.95 59.15 2bis s SER 413 Cb 0.35 -2.57 1.39 0.00 0.10 0.00 0.00 66.02 65.29 2bis s SER 413 CO -0.25 -0.79 2.16 -0.50 0.98 0.00 0.00 173.24 174.84 2bis h TRP 414 N 1.67 0.00 -0.09 5.02 4.06 -1.88 -2.37 115.95 122.36 2bis h TRP 414 Ca -0.49 0.00 0.04 0.00 2.06 0.00 0.00 58.89 60.50 2bis h TRP 414 Cb 1.22 0.00 -0.05 0.00 -1.00 0.00 0.00 29.16 29.33 2bis h TRP 414 CO 0.56 0.02 -0.25 1.49 -3.56 0.00 0.00 178.44 176.69 2bis h GLU 415 N 0.00 -0.33 -0.76 0.49 4.81 -1.92 -1.34 114.58 115.53 2bis h GLU 415 Ca -0.00 0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.21 2bis h GLU 415 Cb 0.03 0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.45 2bis h GLU 415 CO 0.00 -0.22 0.32 0.87 -0.73 0.00 0.00 179.01 179.25 2bis h LYS 416 N -0.34 1.12 -0.01 1.92 1.57 -1.84 -0.98 116.57 118.00 2bis h LYS 416 Ca 0.09 -0.19 -0.02 0.00 -1.87 0.00 0.00 60.65 58.66 2bis h LYS 416 Cb 0.47 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.59 2bis h LYS 416 CO -0.28 0.90 -0.07 1.03 -0.57 0.00 0.00 179.45 180.46 2bis h SER 417 N 1.10 0.02 0.27 0.86 0.87 -1.08 -1.87 113.55 113.71 2bis h SER 417 Ca 0.26 -0.00 -0.34 0.00 -1.23 0.00 0.00 61.79 60.48 2bis h SER 417 Cb 0.19 -0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.14 2bis h SER 417 CO -0.02 0.09 -1.72 0.00 -0.53 0.00 0.00 176.83 174.64 2bis h ALA 418 N 1.91 0.25 -0.88 6.23 0.00 -0.88 -2.70 119.26 123.19 2bis h ALA 418 Ca 0.00 -1.18 0.10 0.00 0.00 0.00 0.00 54.91 53.83 2bis h ALA 418 Cb 0.13 0.44 -0.06 0.00 0.00 0.00 0.00 17.79 18.30 2bis h ALA 418 CO 0.01 1.12 0.57 0.93 0.00 0.00 0.00 179.25 181.87 2bis h GLU 419 N 0.09 0.84 0.15 0.00 5.08 -0.89 -0.73 114.58 119.12 2bis h GLU 419 Ca -0.33 -0.05 -0.29 0.00 -1.00 0.00 0.00 59.36 57.69 2bis h GLU 419 Cb 2.07 -0.19 0.01 0.00 0.50 0.00 0.00 28.75 31.14 2bis h GLU 419 CO 0.16 0.56 -1.32 -0.09 -1.00 0.00 0.00 179.01 177.31 2bis h ARG 420 N 0.87 0.32 -0.43 2.33 2.43 -1.43 -2.89 114.38 115.57 2bis h ARG 420 Ca 0.41 -0.55 0.00 0.00 -0.81 0.00 0.00 59.98 59.03 2bis h ARG 420 Cb 0.41 0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 30.14 2bis h ARG 420 CO -0.17 1.25 0.27 1.88 -1.51 0.00 0.00 179.97 181.69 2bis h TYR 421 N 0.09 0.55 -0.57 2.20 0.99 -1.10 -0.90 116.97 118.22 2bis h TYR 421 Ca -0.17 0.01 -0.03 0.00 2.00 0.00 0.00 58.73 60.54 2bis h TYR 421 Cb 2.02 -0.18 -0.03 0.00 1.00 0.00 0.00 36.73 39.54 2bis h TYR 421 CO 0.08 0.36 0.24 0.28 -0.00 0.00 0.00 178.16 179.12 2bis h VAL 422 N 0.59 1.22 -0.91 -2.88 2.07 -1.09 0.94 116.25 116.19 2bis h VAL 422 Ca 0.16 -0.68 0.05 0.00 0.82 0.00 0.00 66.70 67.05 2bis h VAL 422 Cb -0.04 0.60 -0.06 0.00 -1.52 0.00 0.00 31.29 30.27 2bis h VAL 422 CO -0.03 0.26 0.58 0.11 0.02 0.00 0.00 177.57 178.51 2bis h LYS 423 N 0.78 1.06 0.00 1.57 1.57 -1.14 -2.26 116.57 118.16 2bis h LYS 423 Ca 0.19 -0.06 -0.08 0.00 -1.87 0.00 0.00 60.65 58.82 2bis h LYS 423 Cb 0.19 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 2bis h LYS 423 CO -0.02 0.70 -0.40 0.00 -0.57 0.00 0.00 179.45 179.17 2bis h ALA 424 N 1.40 0.91 -0.42 3.86 0.00 -0.54 0.23 119.26 124.70 2bis h ALA 424 Ca 0.38 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2bis h ALA 424 Cb 0.08 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 2bis h ALA 424 CO -0.14 0.50 0.23 1.88 0.00 0.00 0.00 179.25 181.72 2bis h TYR 425 N 0.00 0.55 -0.02 0.00 0.99 -0.21 -2.76 116.97 115.51 2bis h TYR 425 Ca -0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 2bis h TYR 425 Cb 1.00 -0.18 0.00 0.00 1.00 0.00 0.00 36.73 38.55 2bis h TYR 425 CO 0.00 0.38 -0.18 0.25 -0.00 0.00 0.00 178.16 178.61 2bis n THR 426 N -4.43 0.00 -0.99 -2.88 -2.24 -1.20 -4.91 114.28 97.63 2bis n THR 426 Ca 0.03 -0.38 0.00 0.00 -2.27 0.00 0.00 64.05 61.43 2bis n THR 426 Cb 0.09 1.30 0.00 0.00 -2.10 0.00 0.00 70.33 69.63 2bis n THR 426 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2bis n GLY 427 N 1.36 0.88 2.22 3.38 0.00 -1.04 -4.92 105.19 107.07 2bis n GLY 427 Ca 0.13 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.94 2bis n GLY 427 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2bis n SER 428 N 0.00 5.85 -3.83 1.61 7.64 0.78 -4.80 113.62 120.87 2bis n SER 428 Ca 0.00 -2.41 -0.12 0.00 1.01 0.00 0.00 58.87 57.35 2bis n SER 428 Cb 0.00 -1.30 -0.10 0.00 -1.01 0.00 0.00 64.21 61.79 2bis n SER 428 CO 0.00 0.00 0.00 -0.51 -3.01 0.00 0.00 175.04 171.52 2bis s ILE 429 N 1.85 0.06 0.65 0.44 2.07 -1.25 -4.66 121.20 120.36 2bis s ILE 429 Ca 0.59 -0.47 -0.15 0.00 -1.41 0.00 0.00 60.65 59.20 2bis s ILE 429 Cb 0.22 -0.44 -0.00 0.00 0.13 0.00 0.00 42.46 42.37 2bis s ILE 429 CO -0.02 -0.26 1.11 1.51 -1.91 0.00 0.00 174.94 175.37 2bis s ASP 430 N -1.00 5.14 0.27 4.50 -4.77 -1.26 -5.06 116.67 114.49 2bis s ASP 430 Ca -0.11 2.02 -0.13 0.00 -3.30 0.00 0.00 52.55 51.03 2bis s ASP 430 Cb -0.06 -2.55 0.00 0.00 -1.09 0.00 0.00 42.92 39.22 2bis s ASP 430 CO 0.02 -1.61 0.52 0.00 0.70 0.00 0.00 175.17 174.80 2bis s ARG 431 N -4.03 1.65 -0.22 2.11 3.03 -1.26 -4.67 118.95 115.55 2bis s ARG 431 Ca 0.67 -1.28 -0.13 0.00 2.03 0.00 0.00 55.73 57.02 2bis s ARG 431 Cb -0.21 0.49 -0.05 0.00 -1.03 0.00 0.00 34.95 34.16 2bis s ARG 431 CO 0.40 -0.70 0.26 0.00 -1.13 0.00 0.00 175.30 174.13 2bis s ALA 432 N -3.82 3.59 -0.09 7.88 0.00 0.17 -4.92 121.76 124.58 2bis s ALA 432 Ca 0.22 -0.73 0.04 0.00 0.00 0.00 0.00 51.96 51.48 2bis s ALA 432 Cb -0.01 -2.45 -0.00 0.00 0.00 0.00 0.00 23.12 20.66 2bis s ALA 432 CO 0.10 -0.23 -0.23 -0.06 0.00 0.00 0.00 175.76 175.34 2bis s PHE 433 N 1.14 2.45 0.55 0.00 0.08 -1.26 -1.34 117.98 119.60 2bis s PHE 433 Ca 0.12 -0.96 0.23 0.00 0.12 0.00 0.00 56.93 56.44 2bis s PHE 433 Cb -0.14 -1.64 1.55 0.00 -0.57 0.00 0.00 43.02 42.22 2bis s PHE 433 CO 0.06 -0.38 2.19 0.22 -0.10 0.00 0.00 175.22 177.21 2bis h ASP 434 N 6.64 0.00 -0.19 1.36 3.58 -1.95 0.68 116.42 126.53 2bis h ASP 434 Ca -0.22 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.23 2bis h ASP 434 Cb 1.23 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.28 2bis h ASP 434 CO 0.47 0.01 0.00 2.22 -2.88 0.00 0.00 179.24 179.06 2bis n PHE 435 N -4.15 0.26 -3.65 0.28 1.16 -1.26 -4.74 117.46 105.36 2bis n PHE 435 Ca -0.03 -0.13 -0.39 0.00 -1.87 0.00 0.00 57.45 55.03 2bis n PHE 435 Cb 0.10 0.00 -0.10 0.00 -1.61 0.00 0.00 39.48 37.87 2bis n PHE 435 CO 0.00 0.00 0.00 0.42 -1.87 0.00 0.00 176.76 175.31 2bis s ILE 436 N -1.74 3.87 -2.00 1.97 1.01 0.23 -5.30 121.20 119.24 2bis s ILE 436 Ca 0.22 -1.79 0.24 0.00 0.00 0.00 0.00 60.65 59.32 2bis s ILE 436 Cb 0.11 -3.53 0.70 0.00 0.01 0.00 0.00 42.46 39.74 2bis s ILE 436 CO 0.16 -0.67 1.82 0.18 0.00 0.00 0.00 174.94 176.43