#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bis h SER -1 N 0.00 0.34 -3.57 1.61 4.64 -2.03 -3.47 113.55 111.07 2bis h SER -1 Ca 0.00 -0.64 -0.53 0.00 -0.47 0.00 0.00 61.79 60.15 2bis h SER -1 Cb 0.00 -0.11 0.08 0.00 -0.31 0.00 0.00 62.40 62.06 2bis h SER -1 CO 0.00 1.56 0.79 -2.28 -0.87 0.00 0.00 176.83 176.03 2bis s HIS 0 N -2.58 2.83 0.20 4.77 2.46 -1.26 -5.02 115.29 116.69 2bis s HIS 0 Ca -0.14 1.04 -0.06 0.00 0.47 0.00 0.00 55.06 56.37 2bis s HIS 0 Cb 0.07 -3.93 -0.02 0.00 -0.13 0.00 0.00 32.58 28.56 2bis s HIS 0 CO 0.81 -2.93 0.25 0.00 -2.47 0.00 0.00 174.74 170.41 2bis s MET 1 N -1.04 1.28 -0.29 2.88 0.00 -1.26 -5.05 119.30 115.81 2bis s MET 1 Ca 0.57 -1.43 -0.03 0.00 0.00 0.00 0.00 55.69 54.81 2bis s MET 1 Cb -0.45 0.35 0.04 0.00 0.00 0.00 0.00 34.83 34.77 2bis s MET 1 CO 0.51 -0.46 0.01 0.21 0.00 0.00 0.00 175.02 175.28 2bis s LYS 2 N -4.08 2.67 -0.23 3.16 2.20 -1.26 -1.40 119.74 120.81 2bis s LYS 2 Ca 0.29 -1.11 -0.08 0.00 -0.36 0.00 0.00 55.97 54.72 2bis s LYS 2 Cb 0.04 -3.18 -0.03 0.00 -1.51 0.00 0.00 37.83 33.14 2bis s LYS 2 CO 0.08 -0.53 0.08 0.08 -0.36 0.00 0.00 175.35 174.70 2bis s VAL 3 N 1.33 4.56 -0.35 4.02 1.01 -0.54 0.21 120.40 130.64 2bis s VAL 3 Ca -0.02 -0.10 -0.19 0.00 0.00 0.00 0.00 61.98 61.68 2bis s VAL 3 Cb -0.18 -3.11 -0.00 0.00 0.00 0.00 0.00 36.38 33.09 2bis s VAL 3 CO -0.01 0.37 0.54 -0.22 0.00 0.00 0.00 175.10 175.78 2bis s LEU 4 N 1.21 4.32 -0.21 3.92 2.96 -0.04 -1.07 118.68 129.77 2bis s LEU 4 Ca 0.05 0.03 -0.06 0.00 -0.22 0.00 0.00 54.13 53.92 2bis s LEU 4 Cb -0.14 -2.64 -0.03 0.00 0.50 0.00 0.00 46.19 43.88 2bis s LEU 4 CO 0.04 -0.51 0.03 -0.22 -1.32 0.00 0.00 176.35 174.37 2bis s LEU 5 N 2.47 3.41 -0.32 -0.68 0.20 0.80 0.40 118.68 124.96 2bis s LEU 5 Ca 0.20 -0.14 -0.07 0.00 0.69 0.00 0.00 54.13 54.81 2bis s LEU 5 Cb -0.15 -1.87 0.02 0.00 -0.43 0.00 0.00 46.19 43.76 2bis s LEU 5 CO 0.14 0.07 0.09 -0.76 -0.29 0.00 0.00 176.35 175.60 2bis s LEU 6 N 0.98 4.09 0.00 -0.68 1.43 -0.30 -0.24 118.68 123.95 2bis s LEU 6 Ca 0.02 -0.92 0.03 0.00 -1.03 0.00 0.00 54.13 52.24 2bis s LEU 6 Cb -0.14 -1.88 -0.01 0.00 0.03 0.00 0.00 46.19 44.19 2bis s LEU 6 CO 0.02 -0.26 -0.10 -0.83 0.23 0.00 0.00 176.35 175.41 2bis s GLY 7 N 1.46 0.53 0.05 -3.19 0.00 -0.99 -1.74 107.32 103.43 2bis s GLY 7 Ca 0.01 -0.50 0.27 0.00 0.00 0.00 0.00 44.72 44.49 2bis s GLY 7 CO 0.03 -0.44 1.65 0.33 0.00 0.00 0.00 173.10 174.66 2bis n PHE 8 N 2.64 0.21 -3.78 1.90 7.35 -1.26 -4.12 117.46 120.40 2bis n PHE 8 Ca -0.15 0.06 -0.13 0.00 -0.76 0.00 0.00 57.45 56.48 2bis n PHE 8 Cb 0.56 -0.50 -0.11 0.00 0.35 0.00 0.00 39.48 39.78 2bis n PHE 8 CO 0.00 0.00 0.00 -1.83 -0.76 0.00 0.00 176.76 174.17 2bis s GLU 9 N -3.04 0.31 -0.02 -4.13 -1.05 -1.26 -4.58 118.70 104.94 2bis s GLU 9 Ca 0.11 0.38 -0.16 0.00 -0.15 0.00 0.00 54.97 55.15 2bis s GLU 9 Cb 0.17 0.15 0.03 0.00 -0.44 0.00 0.00 34.13 34.04 2bis s GLU 9 CO 0.62 -0.04 0.34 0.12 0.95 0.00 0.00 175.26 177.26 2bis s PHE 10 N 0.15 -0.23 0.37 4.83 5.36 -1.26 -3.95 117.98 123.25 2bis s PHE 10 Ca -0.00 0.36 -0.28 0.00 -0.96 0.00 0.00 56.93 56.06 2bis s PHE 10 Cb -0.02 0.12 -0.10 0.00 -0.34 0.00 0.00 43.02 42.69 2bis s PHE 10 CO 0.00 -0.40 1.35 -0.51 -1.46 0.00 0.00 175.22 174.21 2bis s LEU 11 N -1.26 4.32 0.00 6.12 1.02 -1.25 -0.76 118.68 126.88 2bis s LEU 11 Ca -0.13 2.78 0.17 0.00 0.02 0.00 0.00 54.13 56.97 2bis s LEU 11 Cb -0.05 -3.74 0.67 0.00 0.02 0.00 0.00 46.19 43.09 2bis s LEU 11 CO 0.05 -0.74 1.48 -0.81 0.02 0.00 0.00 176.35 176.35 2bis n PRO 12 N 0.48 1.58 -2.16 1.29 -0.04 -1.26 -5.03 135.00 129.85 2bis n PRO 12 Ca 0.02 -0.88 -0.42 0.00 -0.04 0.00 0.00 63.50 62.17 2bis n PRO 12 Cb 0.42 -1.33 0.00 0.00 -0.04 0.00 0.00 33.50 32.55 2bis n PRO 12 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2bis n VAL 13 N 0.13 4.01 -1.74 0.52 0.31 0.06 -4.99 118.33 116.63 2bis n VAL 13 Ca 0.14 -3.92 -0.39 0.00 -0.01 0.00 0.00 64.34 60.16 2bis n VAL 13 Cb 0.26 -2.45 0.04 0.00 -0.91 0.00 0.00 33.84 30.77 2bis n VAL 13 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 2bis n LYS 14 N 4.90 1.83 0.11 5.55 5.02 -1.26 -4.03 118.16 130.28 2bis n LYS 14 Ca 0.44 0.67 0.00 0.00 -2.02 0.00 0.00 58.31 57.40 2bis n LYS 14 Cb 0.38 -2.58 0.00 0.00 -0.02 0.00 0.00 35.03 32.81 2bis n LYS 14 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2bis n VAL 15 N -0.81 0.00 -0.85 -0.18 0.31 -1.26 -5.06 118.33 110.48 2bis n VAL 15 Ca 0.09 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.42 2bis n VAL 15 Cb 0.44 -0.43 0.00 0.00 -0.91 0.00 0.00 33.84 32.94 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 1.08 3.87 0.00 2.92 0.00 -1.26 -5.02 105.19 106.78 2bis n GLY 16 Ca 0.00 -1.76 0.12 0.00 0.00 0.00 0.00 46.02 44.38 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 5.00 -1.22 0.26 -0.02 0.00 -1.26 -4.31 105.19 103.64 2bis n GLY 17 Ca 0.00 -0.38 0.03 0.00 0.00 0.00 0.00 46.02 45.67 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 0.31 -0.07 0.99 5.85 -1.95 0.34 115.31 120.78 2bis h LEU 18 Ca 0.00 0.09 0.03 0.00 0.84 0.00 0.00 57.88 58.84 2bis h LEU 18 Cb 0.52 0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.55 2bis h LEU 18 CO 0.00 0.15 -0.53 0.00 -0.34 0.00 0.00 178.44 177.72 2bis h ALA 19 N 1.49 -0.90 -0.86 1.25 0.00 -1.75 0.87 119.26 119.36 2bis h ALA 19 Ca 0.37 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.24 2bis h ALA 19 Cb 0.50 0.97 -0.05 0.00 0.00 0.00 0.00 17.79 19.21 2bis h ALA 19 CO -0.35 -1.09 0.57 1.49 0.00 0.00 0.00 179.25 179.87 2bis h GLU 20 N -0.62 1.07 0.02 0.00 4.57 -1.46 -1.90 114.58 116.27 2bis h GLU 20 Ca 0.03 -0.06 -0.00 0.00 -1.18 0.00 0.00 59.36 58.14 2bis h GLU 20 Cb 0.70 -0.24 0.00 0.00 -0.16 0.00 0.00 28.75 29.05 2bis h GLU 20 CO -0.40 0.71 -0.01 0.00 -1.18 0.00 0.00 179.01 178.13 2bis h ALA 21 N 1.48 -0.03 -0.26 2.92 0.00 0.08 -1.73 119.26 121.72 2bis h ALA 21 Ca 0.33 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 55.03 2bis h ALA 21 Cb -0.03 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2bis h ALA 21 CO -0.09 -0.39 -0.21 -0.07 0.00 0.00 0.00 179.25 178.49 2bis h LEU 22 N -0.28 0.48 -0.93 0.00 3.38 -0.75 -2.07 115.31 115.14 2bis h LEU 22 Ca -0.00 -0.15 -0.08 0.00 0.09 0.00 0.00 57.88 57.74 2bis h LEU 22 Cb 0.26 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 2bis h LEU 22 CO 0.01 0.70 -0.06 0.74 0.09 0.00 0.00 178.44 179.91 2bis h THR 23 N 0.44 1.24 -0.14 0.22 2.02 -1.30 -2.07 112.91 113.33 2bis h THR 23 Ca 0.07 -1.05 -0.10 0.00 0.77 0.00 0.00 66.41 66.10 2bis h THR 23 Cb 0.61 0.99 0.00 0.00 -1.74 0.00 0.00 68.15 68.01 2bis h THR 23 CO 0.04 0.36 -0.30 0.00 0.37 0.00 0.00 175.52 175.99 2bis h ALA 24 N 1.27 0.23 -0.19 6.16 0.00 -0.96 -1.62 119.26 124.15 2bis h ALA 24 Ca 0.12 -0.41 0.02 0.00 0.00 0.00 0.00 54.91 54.64 2bis h ALA 24 Cb 0.50 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 2bis h ALA 24 CO 0.03 0.25 0.06 0.82 0.00 0.00 0.00 179.25 180.41 2bis h ILE 25 N 0.06 0.95 -0.31 0.00 2.04 -1.37 0.31 117.51 119.18 2bis h ILE 25 Ca 0.00 -0.05 0.05 0.00 1.00 0.00 0.00 64.86 65.86 2bis h ILE 25 Cb 0.90 0.79 -0.04 0.00 -0.74 0.00 0.00 36.82 37.73 2bis h ILE 25 CO 0.07 0.03 0.04 0.28 0.00 0.00 0.00 178.15 178.56 2bis h SER 26 N 0.15 -0.05 -0.28 1.72 0.02 -1.35 0.12 113.55 113.88 2bis h SER 26 Ca 0.08 0.06 -0.07 0.00 -0.84 0.00 0.00 61.79 61.02 2bis h SER 26 Cb 0.05 0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.68 2bis h SER 26 CO -0.09 0.01 -0.11 -0.33 -1.14 0.00 0.00 176.83 175.17 2bis h GLU 27 N 0.14 0.56 -0.65 3.45 5.08 -0.95 -0.19 114.58 122.03 2bis h GLU 27 Ca 0.15 -0.24 0.03 0.00 -1.00 0.00 0.00 59.36 58.30 2bis h GLU 27 Cb 0.18 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.37 2bis h GLU 27 CO -0.22 0.79 0.43 0.00 -1.00 0.00 0.00 179.01 179.01 2bis h ALA 28 N 0.76 1.62 -0.20 3.43 0.00 -0.21 -1.09 119.26 123.57 2bis h ALA 28 Ca 0.07 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 2bis h ALA 28 Cb 0.61 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 2bis h ALA 28 CO 0.04 0.32 -0.15 1.25 0.00 0.00 0.00 179.25 180.71 2bis h LEU 29 N 0.79 0.48 -1.43 0.00 5.85 -0.43 -2.95 115.31 117.62 2bis h LEU 29 Ca 0.25 -0.45 -0.02 0.00 0.84 0.00 0.00 57.88 58.51 2bis h LEU 29 Cb 0.03 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 40.91 2bis h LEU 29 CO -0.07 0.83 0.19 0.00 -0.34 0.00 0.00 178.44 179.05 2bis h ALA 30 N 0.67 1.56 0.00 1.25 0.00 -0.57 -2.38 119.26 119.78 2bis h ALA 30 Ca 0.04 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 2bis h ALA 30 Cb 0.67 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 2bis h ALA 30 CO 0.04 0.35 -0.33 0.77 0.00 0.00 0.00 179.25 180.08 2bis h SER 31 N 0.57 0.00 0.11 0.00 0.02 -1.07 -2.48 113.55 110.71 2bis h SER 31 Ca 0.14 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.09 2bis h SER 31 Cb 0.08 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.62 2bis h SER 31 CO -0.02 0.33 0.00 0.18 -1.14 0.00 0.00 176.83 176.18 2bis n LEU 32 N -3.90 0.00 0.00 5.07 4.77 -0.90 -4.86 117.00 117.18 2bis n LEU 32 Ca -0.02 0.08 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 2bis n LEU 32 Cb 0.40 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 2bis n LEU 32 CO 0.37 -0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.02 2bis n GLY 33 N 0.55 0.85 3.85 -0.72 0.00 -0.93 -5.02 105.19 103.77 2bis n GLY 33 Ca 0.16 -0.03 -0.33 0.00 0.00 0.00 0.00 46.02 45.82 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 3.46 -0.26 1.61 3.76 -1.20 -4.72 115.29 115.94 2bis s HIS 34 Ca 0.00 1.14 -0.19 0.00 -0.15 0.00 0.00 55.06 55.86 2bis s HIS 34 Cb 0.00 -2.46 -0.02 0.00 1.11 0.00 0.00 32.58 31.21 2bis s HIS 34 CO 0.00 0.22 0.57 -2.00 -0.85 0.00 0.00 174.74 172.68 2bis s GLU 35 N -2.65 4.08 -0.17 1.40 2.12 -0.49 -4.29 118.70 118.71 2bis s GLU 35 Ca 0.49 0.42 0.01 0.00 0.36 0.00 0.00 54.97 56.25 2bis s GLU 35 Cb -0.12 -3.65 0.01 0.00 0.26 0.00 0.00 34.13 30.63 2bis s GLU 35 CO 0.19 -0.39 -0.19 0.08 -0.54 0.00 0.00 175.26 174.42 2bis s VAL 36 N 2.41 2.25 -0.10 3.70 1.01 -0.72 -1.47 120.40 127.48 2bis s VAL 36 Ca 0.24 -0.89 -0.00 0.00 0.00 0.00 0.00 61.98 61.32 2bis s VAL 36 Cb -0.16 -1.94 -0.03 0.00 0.00 0.00 0.00 36.38 34.26 2bis s VAL 36 CO 0.09 0.53 -0.08 -0.76 0.00 0.00 0.00 175.10 174.88 2bis s LEU 37 N 1.08 3.08 -0.10 3.92 1.43 -0.23 0.09 118.68 127.94 2bis s LEU 37 Ca -0.00 -0.12 0.03 0.00 -1.03 0.00 0.00 54.13 53.01 2bis s LEU 37 Cb -0.14 -1.69 -0.01 0.00 0.03 0.00 0.00 46.19 44.38 2bis s LEU 37 CO -0.07 0.27 -0.20 -0.69 0.23 0.00 0.00 176.35 175.90 2bis s VAL 38 N -0.28 2.42 -0.17 -1.59 1.01 0.75 -0.14 120.40 122.40 2bis s VAL 38 Ca 0.04 -0.90 -0.03 0.00 0.00 0.00 0.00 61.98 61.09 2bis s VAL 38 Cb -0.13 -1.96 -0.02 0.00 0.00 0.00 0.00 36.38 34.28 2bis s VAL 38 CO 0.03 0.55 -0.07 -0.36 0.00 0.00 0.00 175.10 175.25 2bis s PHE 39 N 0.25 2.94 0.04 5.22 0.40 0.66 -0.07 117.98 127.42 2bis s PHE 39 Ca -0.14 -0.61 -0.09 0.00 -0.60 0.00 0.00 56.93 55.50 2bis s PHE 39 Cb -0.17 -1.97 0.00 0.00 0.51 0.00 0.00 43.02 41.39 2bis s PHE 39 CO 0.07 -0.26 0.17 -0.08 0.70 0.00 0.00 175.22 175.83 2bis s THR 40 N 0.72 0.11 0.77 0.64 -1.32 -1.12 -2.36 115.64 113.10 2bis s THR 40 Ca -0.03 -0.91 -0.11 0.00 -1.21 0.00 0.00 61.69 59.43 2bis s THR 40 Cb -0.15 -0.87 0.06 0.00 -1.51 0.00 0.00 72.50 70.03 2bis s THR 40 CO 0.02 -0.50 1.09 -2.84 -2.21 0.00 0.00 174.62 170.17 2bis s PRO 41 N -2.47 2.25 0.04 7.08 0.02 -1.26 -1.07 135.00 139.58 2bis s PRO 41 Ca -0.06 1.06 0.07 0.00 0.02 0.00 0.00 61.00 62.10 2bis s PRO 41 Cb -0.02 -1.90 -0.23 0.00 0.02 0.00 0.00 34.50 32.37 2bis s PRO 41 CO -0.04 -1.62 0.99 0.66 -0.33 0.00 0.00 177.00 176.67 2bis h SER 42 N -1.10 0.06 -2.26 2.53 4.64 -1.62 -3.41 113.55 112.39 2bis h SER 42 Ca -0.44 -0.09 -0.37 0.00 -0.47 0.00 0.00 61.79 60.42 2bis h SER 42 Cb 1.24 -0.02 -0.05 0.00 -0.31 0.00 0.00 62.40 63.26 2bis h SER 42 CO 0.53 1.07 -0.45 1.41 -0.87 0.00 0.00 176.83 178.53 2bis n HIS 43 N -3.26 -0.69 -2.02 4.77 8.25 -0.62 -1.58 115.22 120.08 2bis n HIS 43 Ca -0.09 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.20 2bis n HIS 43 Cb 1.00 -3.53 -0.03 0.00 1.12 0.00 0.00 29.99 28.55 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 -0.95 0.43 0.03 -1.41 0.00 -0.64 -3.37 105.19 99.27 2bis n GLY 44 Ca -0.21 -0.18 0.11 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.60 0.32 -4.17 1.61 5.12 -0.61 -4.91 116.66 111.42 2bis n ARG 45 Ca -0.19 -0.02 -0.16 0.00 -1.93 0.00 0.00 57.85 55.55 2bis n ARG 45 Cb 0.62 -1.59 -0.13 0.00 -1.16 0.00 0.00 32.46 30.20 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 -3.22 0.79 -0.12 -1.55 0.40 -1.26 -5.14 117.98 107.88 2bis s PHE 46 Ca 0.03 -0.36 -0.01 0.00 -0.60 0.00 0.00 56.93 55.99 2bis s PHE 46 Cb 0.14 -0.48 -0.02 0.00 0.51 0.00 0.00 43.02 43.17 2bis s PHE 46 CO 0.82 -0.03 -0.07 -1.14 0.70 0.00 0.00 175.22 175.50 2bis s GLN 47 N -1.10 3.32 0.53 0.44 0.74 -1.26 -4.89 119.66 117.45 2bis s GLN 47 Ca -0.04 -0.57 0.07 0.00 0.05 0.00 0.00 55.36 54.87 2bis s GLN 47 Cb -0.07 -2.75 0.04 0.00 1.10 0.00 0.00 33.01 31.33 2bis s GLN 47 CO 0.01 0.36 0.49 0.20 -0.55 0.00 0.00 175.29 175.80 2bis s GLY 48 N 0.01 2.19 0.14 2.59 0.00 -1.26 -4.77 107.32 106.21 2bis s GLY 48 Ca -0.01 -1.55 -0.30 0.00 0.00 0.00 0.00 44.72 42.86 2bis s GLY 48 CO 0.03 -1.85 1.20 -0.54 0.00 0.00 0.00 173.10 171.94 2bis s GLU 49 N -4.35 4.47 0.33 2.90 8.01 -0.68 -4.54 118.70 124.84 2bis s GLU 49 Ca 0.42 1.84 -0.29 0.00 0.01 0.00 0.00 54.97 56.95 2bis s GLU 49 Cb -0.03 -3.28 -0.10 0.00 -4.31 0.00 0.00 34.13 26.41 2bis s GLU 49 CO 0.26 -0.15 1.28 -1.83 0.01 0.00 0.00 175.26 174.83 2bis s GLU 50 N 0.27 4.36 0.00 1.61 1.03 -1.26 -0.53 118.70 124.18 2bis s GLU 50 Ca 0.55 2.16 0.00 0.00 0.03 0.00 0.00 54.97 57.71 2bis s GLU 50 Cb -0.31 -3.06 0.00 0.00 -0.80 0.00 0.00 34.13 29.96 2bis s GLU 50 CO 0.34 -0.16 0.10 0.44 -1.33 0.00 0.00 175.26 174.65 2bis n ILE 51 N 0.79 0.00 0.00 1.83 -5.35 -0.35 -4.93 119.36 111.35 2bis n ILE 51 Ca 0.00 -0.30 0.00 0.00 -0.27 0.00 0.00 62.75 62.18 2bis n ILE 51 Cb 0.42 1.14 0.00 0.00 -1.74 0.00 0.00 39.64 39.46 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 0.40 2.40 3.53 3.28 0.00 -1.22 -5.02 105.19 108.56 2bis n GLY 52 Ca 0.00 -0.87 -0.32 0.00 0.00 0.00 0.00 46.02 44.82 2bis n GLY 52 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bis s LYS 53 N -2.00 2.46 0.13 1.61 1.02 -1.26 0.47 119.74 122.17 2bis s LYS 53 Ca 0.00 -0.75 0.05 0.00 0.02 0.00 0.00 55.97 55.30 2bis s LYS 53 Cb 0.00 -2.41 -0.04 0.00 -0.52 0.00 0.00 37.83 34.86 2bis s LYS 53 CO 0.00 0.60 -0.13 0.96 -0.92 0.00 0.00 175.35 175.87 2bis s ILE 54 N -0.88 1.27 -0.16 2.17 -4.36 -0.37 -4.90 121.20 113.96 2bis s ILE 54 Ca 0.14 -1.83 -0.12 0.00 -0.26 0.00 0.00 60.65 58.58 2bis s ILE 54 Cb -0.11 -1.63 -0.05 0.00 1.25 0.00 0.00 42.46 41.93 2bis s ILE 54 CO 0.04 -0.53 0.23 -0.60 0.24 0.00 0.00 174.94 174.32 2bis s ARG 55 N -3.04 4.13 -0.07 0.37 3.52 -1.26 0.37 118.95 122.97 2bis s ARG 55 Ca 0.11 -0.02 -0.04 0.00 -0.13 0.00 0.00 55.73 55.66 2bis s ARG 55 Cb -0.02 -3.39 0.03 0.00 -1.56 0.00 0.00 34.95 30.01 2bis s ARG 55 CO 0.02 0.34 0.16 0.08 -0.81 0.00 0.00 175.30 175.10 2bis s VAL 56 N 0.20 -0.03 -1.22 7.11 1.01 -0.60 -4.85 120.40 122.00 2bis s VAL 56 Ca 0.14 0.13 -0.08 0.00 0.00 0.00 0.00 61.98 62.16 2bis s VAL 56 Cb -0.12 -0.26 -0.01 0.00 0.00 0.00 0.00 36.38 35.98 2bis s VAL 56 CO 0.02 0.05 0.73 0.49 0.00 0.00 0.00 175.10 176.39 2bis n PHE 57 N 3.88 -1.95 -4.22 5.22 3.01 -1.26 -1.12 117.46 121.02 2bis n PHE 57 Ca -0.22 0.70 -0.32 0.00 1.01 0.00 0.00 57.45 58.61 2bis n PHE 57 Cb 0.54 -3.95 -0.09 0.00 -0.01 0.00 0.00 39.48 35.97 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 -1.61 -0.20 3.62 1.37 0.00 -1.26 -4.97 105.19 102.13 2bis n GLY 58 Ca -0.20 0.13 -0.14 0.00 0.00 0.00 0.00 46.02 45.81 2bis n GLY 58 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2bis s GLU 59 N -6.94 0.84 0.38 1.61 -1.05 -0.27 -5.14 118.70 108.11 2bis s GLU 59 Ca 0.26 0.88 -0.25 0.00 -0.15 0.00 0.00 54.97 55.71 2bis s GLU 59 Cb -0.15 0.41 -0.09 0.00 -0.44 0.00 0.00 34.13 33.85 2bis s GLU 59 CO 0.93 -0.12 1.04 -1.83 0.95 0.00 0.00 175.26 176.22 2bis s GLU 60 N 0.18 4.28 -0.01 -4.83 -1.05 -1.26 -1.56 118.70 114.44 2bis s GLU 60 Ca -0.01 1.50 0.00 0.00 -0.15 0.00 0.00 54.97 56.31 2bis s GLU 60 Cb -0.04 -2.64 0.01 0.00 -0.44 0.00 0.00 34.13 31.02 2bis s GLU 60 CO 0.01 -0.04 0.01 0.54 0.95 0.00 0.00 175.26 176.73 2bis s VAL 61 N -1.61 -0.01 -0.52 1.83 0.11 0.16 -4.93 120.40 115.42 2bis s VAL 61 Ca 0.55 0.07 -0.24 0.00 -2.93 0.00 0.00 61.98 59.44 2bis s VAL 61 Cb -0.22 -0.04 0.04 0.00 -1.53 0.00 0.00 36.38 34.63 2bis s VAL 61 CO 0.28 0.03 0.88 -1.58 -3.33 0.00 0.00 175.10 171.39 2bis s GLN 62 N 0.38 3.34 -0.10 1.54 2.00 -1.26 -1.24 119.66 124.33 2bis s GLN 62 Ca -0.03 -0.25 -0.30 0.00 -2.00 0.00 0.00 55.36 52.78 2bis s GLN 62 Cb -0.05 -4.02 -0.01 0.00 0.80 0.00 0.00 33.01 29.72 2bis s GLN 62 CO -0.01 -1.37 1.03 0.08 -0.50 0.00 0.00 175.29 174.52 2bis s VAL 63 N 3.69 4.71 0.24 1.34 1.01 0.18 -4.22 120.40 127.35 2bis s VAL 63 Ca 0.30 1.98 0.09 0.00 0.00 0.00 0.00 61.98 64.34 2bis s VAL 63 Cb -0.13 -4.28 -0.04 0.00 0.00 0.00 0.00 36.38 31.94 2bis s VAL 63 CO 0.20 0.01 0.03 -0.54 0.00 0.00 0.00 175.10 174.80 2bis s LYS 64 N 2.02 2.43 -0.04 2.72 1.02 -0.51 -1.21 119.74 126.16 2bis s LYS 64 Ca 0.49 -1.27 -0.03 0.00 0.02 0.00 0.00 55.97 55.19 2bis s LYS 64 Cb -0.19 -2.28 0.02 0.00 -0.52 0.00 0.00 37.83 34.85 2bis s LYS 64 CO 0.19 0.40 0.10 0.08 -0.92 0.00 0.00 175.35 175.20 2bis s VAL 65 N -2.12 -0.02 -0.24 3.17 1.01 0.31 -0.81 120.40 121.70 2bis s VAL 65 Ca 0.30 0.08 -0.03 0.00 0.00 0.00 0.00 61.98 62.33 2bis s VAL 65 Cb -0.07 -0.17 0.01 0.00 0.00 0.00 0.00 36.38 36.15 2bis s VAL 65 CO 0.20 0.03 -0.03 -0.44 0.00 0.00 0.00 175.10 174.86 2bis s SER 66 N 0.49 4.43 -0.09 3.32 0.01 0.49 -1.68 113.70 120.65 2bis s SER 66 Ca -0.04 -0.66 -0.10 0.00 1.31 0.00 0.00 55.95 56.47 2bis s SER 66 Cb -0.05 -1.73 -0.05 0.00 0.21 0.00 0.00 66.02 64.41 2bis s SER 66 CO -0.02 -0.10 0.22 -0.47 0.41 0.00 0.00 173.24 173.28 2bis s TYR 67 N 1.41 3.62 -0.00 2.43 5.04 -1.26 -1.11 117.35 127.47 2bis s TYR 67 Ca 0.03 0.65 -0.00 0.00 -2.44 0.00 0.00 57.07 55.30 2bis s TYR 67 Cb -0.16 -2.07 0.00 0.00 0.35 0.00 0.00 41.96 40.09 2bis s TYR 67 CO -0.03 0.67 0.01 -2.00 -1.34 0.00 0.00 175.55 172.86 2bis s GLU 68 N -0.90 0.01 -0.09 4.97 2.12 -0.59 -5.03 118.70 119.21 2bis s GLU 68 Ca 0.17 0.01 0.01 0.00 0.36 0.00 0.00 54.97 55.52 2bis s GLU 68 Cb -0.13 0.01 0.02 0.00 0.26 0.00 0.00 34.13 34.28 2bis s GLU 68 CO 0.06 -0.00 -0.10 -2.00 -0.54 0.00 0.00 175.26 172.68 2bis s GLU 69 N -0.01 1.65 -0.21 4.30 2.12 -1.26 -0.61 118.70 124.68 2bis s GLU 69 Ca -0.00 -0.35 -0.03 0.00 0.36 0.00 0.00 54.97 54.95 2bis s GLU 69 Cb -0.00 -1.50 0.06 0.00 0.26 0.00 0.00 34.13 32.95 2bis s GLU 69 CO 0.00 -0.10 0.04 -0.98 -0.54 0.00 0.00 175.26 173.67 2bis s ARG 70 N 1.11 0.71 4.26 4.30 1.70 -0.72 -5.04 118.95 125.27 2bis s ARG 70 Ca -0.06 -0.50 0.00 0.00 -0.47 0.00 0.00 55.73 54.70 2bis s ARG 70 Cb -0.14 -2.12 0.00 0.00 -0.57 0.00 0.00 34.95 32.12 2bis s ARG 70 CO -0.02 -0.67 0.00 0.41 -1.08 0.00 0.00 175.30 173.94 2bis n GLY 71 N 5.02 2.54 0.05 3.88 0.00 -1.26 -2.58 105.19 112.84 2bis n GLY 71 Ca -0.09 -0.31 0.09 0.00 0.00 0.00 0.00 46.02 45.71 2bis n GLY 71 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2bis n ASN 72 N 0.46 0.24 -4.71 1.61 3.02 -1.26 -4.63 115.26 109.99 2bis n ASN 72 Ca 0.00 0.56 -0.40 0.00 -0.03 0.00 0.00 54.58 54.71 2bis n ASN 72 Cb 0.00 -0.61 -0.04 0.00 -0.61 0.00 0.00 39.78 38.51 2bis n ASN 72 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 2bis s LEU 73 N -3.55 4.32 -0.21 3.41 2.96 -1.07 -1.76 118.68 122.79 2bis s LEU 73 Ca 0.06 1.28 0.01 0.00 -0.22 0.00 0.00 54.13 55.25 2bis s LEU 73 Cb 0.09 -3.18 0.05 0.00 0.50 0.00 0.00 46.19 43.64 2bis s LEU 73 CO 0.30 -0.16 -0.09 -0.13 -1.32 0.00 0.00 176.35 174.95 2bis s ARG 74 N 0.94 1.88 -0.24 1.98 0.52 0.11 -1.76 118.95 122.37 2bis s ARG 74 Ca 0.40 -0.87 -0.08 0.00 -0.52 0.00 0.00 55.73 54.66 2bis s ARG 74 Cb -0.18 -2.44 -0.04 0.00 0.52 0.00 0.00 34.95 32.81 2bis s ARG 74 CO 0.20 -0.48 0.09 0.42 0.02 0.00 0.00 175.30 175.55 2bis s ILE 75 N 1.41 4.60 -0.46 1.52 1.01 0.22 -0.18 121.20 129.32 2bis s ILE 75 Ca -0.03 -0.08 0.04 0.00 0.00 0.00 0.00 60.65 60.58 2bis s ILE 75 Cb -0.17 -3.15 0.12 0.00 0.01 0.00 0.00 42.46 39.28 2bis s ILE 75 CO -0.07 0.35 0.20 -0.31 0.00 0.00 0.00 174.94 175.10 2bis s TYR 76 N 1.39 3.38 -0.27 3.97 1.51 0.90 -1.54 117.35 126.69 2bis s TYR 76 Ca 0.06 -3.09 -0.28 0.00 -1.01 0.00 0.00 57.07 52.74 2bis s TYR 76 Cb -0.15 -2.88 0.01 0.00 -0.11 0.00 0.00 41.96 38.84 2bis s TYR 76 CO 0.05 -0.82 1.02 1.03 -1.11 0.00 0.00 175.55 175.72 2bis s ARG 77 N 0.12 4.16 -0.31 -0.62 0.52 -0.27 -2.78 118.95 119.77 2bis s ARG 77 Ca 0.15 1.17 -0.06 0.00 -0.52 0.00 0.00 55.73 56.46 2bis s ARG 77 Cb -0.23 -3.68 0.02 0.00 0.52 0.00 0.00 34.95 31.58 2bis s ARG 77 CO -0.03 -0.73 0.09 0.42 0.02 0.00 0.00 175.30 175.07 2bis s ILE 78 N 3.32 3.84 0.62 1.52 1.01 -0.24 -0.38 121.20 130.90 2bis s ILE 78 Ca 0.43 -0.90 0.06 0.00 0.00 0.00 0.00 60.65 60.24 2bis s ILE 78 Cb -0.14 -3.07 0.10 0.00 0.01 0.00 0.00 42.46 39.37 2bis s ILE 78 CO 0.10 -0.03 0.86 -0.83 0.00 0.00 0.00 174.94 175.04 2bis s GLY 79 N 1.45 1.74 0.00 6.18 0.00 0.01 -2.41 107.32 114.30 2bis s GLY 79 Ca 0.01 -2.00 0.00 0.00 0.00 0.00 0.00 44.72 42.73 2bis s GLY 79 CO 0.02 -1.50 0.00 0.61 0.00 0.00 0.00 173.10 172.23 2bis n GLY 80 N -2.45 -0.52 0.00 0.20 0.00 -1.26 -1.43 105.19 99.73 2bis n GLY 80 Ca 0.15 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 0.22 0.32 -0.02 0.00 -1.26 -3.79 105.19 100.65 2bis n GLY 81 Ca 0.00 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.19 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 -1.17 0.99 3.38 -1.95 -2.08 115.31 114.49 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 -3.67 0.54 0.20 1.67 4.77 -1.26 -0.63 117.00 118.62 2bis n LEU 83 Ca -0.01 0.72 0.12 0.00 -0.03 0.00 0.00 56.01 56.81 2bis n LEU 83 Cb 0.19 -0.75 0.14 0.00 -2.33 0.00 0.00 43.42 40.67 2bis n LEU 83 CO 0.26 -0.83 0.70 0.44 -1.33 0.00 0.00 177.39 176.62 2bis h ASP 84 N 0.00 0.00 -2.59 -1.43 3.45 -1.47 -1.63 116.42 112.75 2bis h ASP 84 Ca 0.00 0.00 -0.55 0.00 0.43 0.00 0.00 57.03 56.91 2bis h ASP 84 Cb 0.08 0.00 0.07 0.00 -0.56 0.00 0.00 39.33 38.92 2bis h ASP 84 CO 0.00 0.00 0.87 -0.24 -1.57 0.00 0.00 179.24 178.30 2bis n SER 85 N -3.04 3.49 0.20 6.45 2.88 0.20 -1.62 113.62 122.17 2bis n SER 85 Ca 0.03 1.09 0.09 0.00 -1.33 0.00 0.00 58.87 58.75 2bis n SER 85 Cb 0.53 -1.50 0.26 0.00 -0.75 0.00 0.00 64.21 62.75 2bis n SER 85 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 2bis h GLU 86 N 5.89 0.00 -6.08 -1.46 5.08 -1.88 -3.39 114.58 112.74 2bis h GLU 86 Ca -0.44 0.00 -0.51 0.00 -1.00 0.00 0.00 59.36 57.41 2bis h GLU 86 Cb 1.23 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.41 2bis h GLU 86 CO 0.89 0.23 1.20 0.34 -1.00 0.00 0.00 179.01 180.67 2bis s ASP 87 N -6.24 5.95 0.12 1.42 3.68 -1.26 -4.85 116.67 115.49 2bis s ASP 87 Ca 0.04 -0.74 -0.32 0.00 2.13 0.00 0.00 52.55 53.65 2bis s ASP 87 Cb 0.08 -2.56 -0.10 0.00 -1.45 0.00 0.00 42.92 38.88 2bis s ASP 87 CO 0.67 -1.98 1.57 0.58 0.13 0.00 0.00 175.17 176.14 2bis h VAL 88 N 6.68 0.06 -0.54 1.11 2.07 -1.93 0.18 116.25 123.88 2bis h VAL 88 Ca -0.03 0.00 -0.47 0.00 0.82 0.00 0.00 66.70 67.02 2bis h VAL 88 Cb 1.04 0.06 -0.09 0.00 -1.52 0.00 0.00 31.29 30.78 2bis h VAL 88 CO 1.31 0.00 1.13 -1.22 0.02 0.00 0.00 177.57 178.82 2bis n TYR 89 N -5.45 1.40 0.00 1.57 4.02 -1.26 -4.84 117.16 112.60 2bis n TYR 89 Ca -0.06 -2.17 0.00 0.00 -0.01 0.00 0.00 57.90 55.66 2bis n TYR 89 Cb 0.38 -1.74 0.00 0.00 -0.02 0.00 0.00 39.34 37.97 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 2.05 -1.24 3.58 2.72 0.00 0.62 -4.57 105.19 108.36 2bis n GLY 90 Ca 0.55 -1.34 -0.33 0.00 0.00 0.00 0.00 46.02 44.90 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 -5.21 2.99 0.19 1.61 0.02 -1.25 -4.65 135.00 128.70 2bis s PRO 91 Ca 0.00 -1.33 0.00 0.00 0.02 0.00 0.00 61.00 59.69 2bis s PRO 91 Cb 0.00 -5.32 0.00 0.00 0.02 0.00 0.00 34.50 29.20 2bis s PRO 91 CO 0.00 -3.34 0.00 0.41 -0.33 0.00 0.00 177.00 173.74 2bis n GLY 92 N 5.84 -2.16 0.23 0.52 0.00 -1.26 -3.05 105.19 105.30 2bis n GLY 92 Ca 0.45 -1.34 -0.07 0.00 0.00 0.00 0.00 46.02 45.06 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 -0.57 -0.82 -0.00 1.61 -0.00 -1.89 0.18 115.95 114.45 2bis h TRP 93 Ca -0.03 0.04 0.00 0.00 -0.00 0.00 0.00 58.89 58.90 2bis h TRP 93 Cb 0.56 0.38 -0.00 0.00 -0.00 0.00 0.00 29.16 30.09 2bis h TRP 93 CO -0.15 -0.25 0.00 0.22 -0.00 0.00 0.00 178.44 178.26 2bis h ASP 94 N -0.24 0.00 -0.47 2.65 1.82 -1.99 -1.72 116.42 116.48 2bis h ASP 94 Ca 0.03 0.00 -0.07 0.00 -0.39 0.00 0.00 57.03 56.59 2bis h ASP 94 Cb 0.31 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.30 2bis h ASP 94 CO -0.26 0.00 0.00 1.23 -1.61 0.00 0.00 179.24 178.61 2bis h GLY 95 N 0.00 0.90 0.84 -0.78 0.00 -1.06 -2.17 103.07 100.80 2bis h GLY 95 Ca 0.00 -0.66 -0.02 0.00 0.00 0.00 0.00 47.33 46.65 2bis h GLY 95 CO -0.00 0.60 0.03 -2.00 0.00 0.00 0.00 176.54 175.18 2bis h LEU 96 N 0.68 0.33 -0.61 3.11 5.85 0.19 -1.94 115.31 122.93 2bis h LEU 96 Ca 0.13 -0.26 -0.01 0.00 0.84 0.00 0.00 57.88 58.58 2bis h LEU 96 Cb 0.50 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.41 2bis h LEU 96 CO 0.02 0.51 0.34 0.40 -0.34 0.00 0.00 178.44 179.37 2bis h ILE 97 N 0.14 1.19 -0.26 4.05 2.04 -1.44 -1.52 117.51 121.72 2bis h ILE 97 Ca 0.06 -0.48 -0.09 0.00 1.00 0.00 0.00 64.86 65.35 2bis h ILE 97 Cb 0.32 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 36.79 2bis h ILE 97 CO 0.00 0.21 -0.21 0.03 0.00 0.00 0.00 178.15 178.18 2bis h ARG 98 N 0.83 0.47 -0.03 2.37 3.08 -1.24 -0.47 114.38 119.38 2bis h ARG 98 Ca 0.21 -0.16 -0.08 0.00 0.07 0.00 0.00 59.98 60.02 2bis h ARG 98 Cb 0.04 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 2bis h ARG 98 CO -0.04 0.66 -0.35 -0.22 -1.07 0.00 0.00 179.97 178.96 2bis h LYS 99 N 0.42 0.05 0.00 0.04 3.64 -1.04 -0.52 116.57 119.17 2bis h LYS 99 Ca 0.07 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.43 2bis h LYS 99 Cb 0.61 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.43 2bis h LYS 99 CO 0.04 0.40 -0.00 0.00 -2.27 0.00 0.00 179.45 177.62 2bis h ALA 100 N 1.60 -0.00 -0.37 5.00 0.00 -0.23 -0.99 119.26 124.28 2bis h ALA 100 Ca 0.00 -0.38 0.08 0.00 0.00 0.00 0.00 54.91 54.61 2bis h ALA 100 Cb 0.64 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.35 2bis h ALA 100 CO 0.05 -0.12 -0.19 0.28 0.00 0.00 0.00 179.25 179.28 2bis h VAL 101 N -0.78 0.45 -0.37 0.00 2.07 -1.14 -0.09 116.25 116.39 2bis h VAL 101 Ca -0.00 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.60 2bis h VAL 101 Cb 0.76 0.45 -0.08 0.00 -1.52 0.00 0.00 31.29 30.90 2bis h VAL 101 CO 0.00 0.00 -0.21 0.74 0.02 0.00 0.00 177.57 178.12 2bis h THR 102 N -0.12 0.40 -0.57 2.57 2.02 -1.13 -1.98 112.91 114.09 2bis h THR 102 Ca 0.18 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.43 2bis h THR 102 Cb 0.41 0.40 -0.03 0.00 -1.74 0.00 0.00 68.15 67.19 2bis h THR 102 CO -0.45 0.00 0.38 0.15 0.37 0.00 0.00 175.52 175.98 2bis h PHE 103 N -0.16 0.54 0.62 3.16 3.57 -0.23 0.99 116.94 125.43 2bis h PHE 103 Ca 0.18 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.67 2bis h PHE 103 Cb 0.44 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.99 2bis h PHE 103 CO -0.43 0.29 -0.47 0.78 -2.23 0.00 0.00 178.31 176.25 2bis h GLY 104 N 0.54 -1.21 1.34 2.40 0.00 -0.31 0.83 103.07 106.65 2bis h GLY 104 Ca 0.25 0.53 -0.08 0.00 0.00 0.00 0.00 47.33 48.02 2bis h GLY 104 CO -0.07 -0.40 -0.05 3.21 0.00 0.00 0.00 176.54 179.23 2bis h ARG 105 N -1.05 0.79 -0.82 4.80 3.08 -0.76 -0.50 114.38 119.91 2bis h ARG 105 Ca -0.08 -0.24 -0.04 0.00 0.07 0.00 0.00 59.98 59.70 2bis h ARG 105 Cb 0.88 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.81 2bis h ARG 105 CO 0.02 0.83 0.37 0.00 -1.07 0.00 0.00 179.97 180.12 2bis h ALA 106 N 1.21 1.06 -0.73 0.04 0.00 -0.89 -1.21 119.26 118.74 2bis h ALA 106 Ca 0.13 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 2bis h ALA 106 Cb 0.52 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 2bis h ALA 106 CO 0.03 0.65 0.32 0.77 0.00 0.00 0.00 179.25 181.01 2bis h SER 107 N 1.18 0.98 0.75 0.00 0.02 0.32 -1.49 113.55 115.32 2bis h SER 107 Ca 0.28 -0.16 -0.04 0.00 -0.84 0.00 0.00 61.79 61.04 2bis h SER 107 Cb 0.16 -0.25 0.01 0.00 0.14 0.00 0.00 62.40 62.45 2bis h SER 107 CO -0.03 0.87 -0.36 0.58 -1.14 0.00 0.00 176.83 176.75 2bis h VAL 108 N 1.03 0.26 -0.89 2.27 2.07 -0.89 -1.80 116.25 118.31 2bis h VAL 108 Ca 0.25 -0.01 0.22 0.00 0.82 0.00 0.00 66.70 67.97 2bis h VAL 108 Cb 0.17 0.26 -0.13 0.00 -1.52 0.00 0.00 31.29 30.08 2bis h VAL 108 CO -0.02 0.00 0.37 0.25 0.02 0.00 0.00 177.57 178.18 2bis h LEU 109 N -1.02 0.28 -0.08 2.57 5.85 -0.96 0.94 115.31 122.90 2bis h LEU 109 Ca -0.10 0.16 -0.25 0.00 0.84 0.00 0.00 57.88 58.53 2bis h LEU 109 Cb 0.78 0.15 0.01 0.00 0.37 0.00 0.00 40.66 41.97 2bis h LEU 109 CO 0.17 -0.02 -0.98 0.25 -0.34 0.00 0.00 178.44 177.52 2bis h LEU 110 N 0.37 0.81 0.77 2.25 5.85 -1.14 -2.27 115.31 121.96 2bis h LEU 110 Ca 0.55 -0.63 -0.04 0.00 0.84 0.00 0.00 57.88 58.60 2bis h LEU 110 Cb 1.05 -0.25 0.01 0.00 0.37 0.00 0.00 40.66 41.84 2bis h LEU 110 CO -0.54 1.43 -0.37 0.25 -0.34 0.00 0.00 178.44 178.87 2bis h LEU 111 N 0.37 -0.88 -1.37 2.25 5.85 -0.45 -2.59 115.31 118.49 2bis h LEU 111 Ca -0.11 0.02 0.43 0.00 0.84 0.00 0.00 57.88 59.06 2bis h LEU 111 Cb 1.62 0.23 -0.13 0.00 0.37 0.00 0.00 40.66 42.75 2bis h LEU 111 CO 0.19 -0.58 0.83 -1.13 -0.34 0.00 0.00 178.44 177.41 2bis h ASN 112 N -1.11 0.25 0.44 1.25 -1.24 -0.85 0.17 115.58 114.49 2bis h ASN 112 Ca -0.11 0.15 -0.23 0.00 0.71 0.00 0.00 56.30 56.82 2bis h ASN 112 Cb 0.81 0.14 0.00 0.00 0.73 0.00 0.00 38.32 39.99 2bis h ASN 112 CO 0.17 -0.20 -1.01 0.44 -1.29 0.00 0.00 177.43 175.55 2bis h ASP 113 N 0.08 0.47 1.06 1.15 3.32 -1.15 -3.18 116.42 118.18 2bis h ASP 113 Ca 0.82 -0.41 -0.03 0.00 0.02 0.00 0.00 57.03 57.44 2bis h ASP 113 Cb 2.55 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 41.95 2bis h ASP 113 CO -0.44 1.23 -0.12 -0.07 -1.72 0.00 0.00 179.24 178.11 2bis h LEU 114 N 0.18 0.00 -0.38 1.55 3.38 -0.31 -2.78 115.31 116.95 2bis h LEU 114 Ca -0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.88 2bis h LEU 114 Cb 1.67 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.42 2bis h LEU 114 CO 0.17 0.12 0.00 -0.07 0.09 0.00 0.00 178.44 178.75 2bis h LEU 115 N 0.00 0.00 -2.01 1.67 3.38 -1.33 -1.28 115.31 115.74 2bis h LEU 115 Ca -0.00 0.00 0.15 0.00 0.09 0.00 0.00 57.88 58.12 2bis h LEU 115 Cb 0.69 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 2bis h LEU 115 CO 0.02 0.00 0.40 0.03 0.09 0.00 0.00 178.44 178.97 2bis h ARG 116 N 0.00 0.00 0.00 1.13 3.08 -1.58 -3.30 114.38 113.72 2bis h ARG 116 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2bis h ARG 116 Cb 0.62 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.67 2bis h ARG 116 CO 0.00 0.00 -0.29 0.39 -1.07 0.00 0.00 179.97 179.00 2bis n GLU 117 N -4.24 0.00 -3.94 0.04 1.02 -0.96 -5.10 120.64 107.47 2bis n GLU 117 Ca 0.09 -0.77 -0.09 0.00 -0.02 0.00 0.00 57.16 56.38 2bis n GLU 117 Cb 0.62 -0.47 -0.09 0.00 -0.02 0.00 0.00 31.44 31.47 2bis n GLU 117 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2bis s GLU 118 N 0.00 0.58 0.79 3.49 2.02 -0.52 -5.13 118.70 119.93 2bis s GLU 118 Ca 0.00 -0.78 -0.11 0.00 0.02 0.00 0.00 54.97 54.10 2bis s GLU 118 Cb 0.00 0.23 0.07 0.00 0.10 0.00 0.00 34.13 34.52 2bis s GLU 118 CO 0.00 -0.14 1.09 -1.25 0.02 0.00 0.00 175.26 174.98 2bis s PRO 119 N -2.66 2.14 0.41 0.39 0.05 -1.26 -4.43 135.00 129.63 2bis s PRO 119 Ca -0.05 0.78 -0.27 0.00 0.05 0.00 0.00 61.00 61.51 2bis s PRO 119 Cb -0.01 -1.91 -0.10 0.00 0.05 0.00 0.00 34.50 32.53 2bis s PRO 119 CO -0.05 -1.62 1.47 -1.17 0.05 0.00 0.00 177.00 175.69 2bis s LEU 120 N -5.81 4.23 0.56 -3.56 2.96 -1.26 -4.92 118.68 110.88 2bis s LEU 120 Ca 0.61 3.02 -0.16 0.00 -0.22 0.00 0.00 54.13 57.37 2bis s LEU 120 Cb -0.15 -3.78 -0.05 0.00 0.50 0.00 0.00 46.19 42.71 2bis s LEU 120 CO 0.55 -1.02 1.03 -2.16 -1.32 0.00 0.00 176.35 173.43 2bis s PRO 121 N -2.25 3.57 0.50 0.98 0.04 -1.26 -4.92 135.00 131.66 2bis s PRO 121 Ca 0.56 1.11 0.27 0.00 0.04 0.00 0.00 61.00 62.97 2bis s PRO 121 Cb -0.46 -2.07 1.30 0.00 0.04 0.00 0.00 34.50 33.31 2bis s PRO 121 CO 0.61 -0.59 2.00 -0.44 0.04 0.00 0.00 177.00 178.62 2bis h ASP 122 N 0.63 0.00 -4.81 6.66 3.32 -0.62 -3.45 116.42 118.15 2bis h ASP 122 Ca -0.47 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.51 2bis h ASP 122 Cb 1.21 0.00 -0.20 0.00 0.22 0.00 0.00 39.33 40.56 2bis h ASP 122 CO 0.59 0.15 0.07 0.54 -1.72 0.00 0.00 179.24 178.87 2bis s VAL 123 N -4.02 0.01 -0.29 -1.35 0.11 -1.17 -4.07 120.40 109.62 2bis s VAL 123 Ca -0.02 -0.09 -0.07 0.00 -2.93 0.00 0.00 61.98 58.87 2bis s VAL 123 Cb 0.12 -0.90 0.01 0.00 -1.53 0.00 0.00 36.38 34.08 2bis s VAL 123 CO 0.60 -0.05 0.08 0.54 -3.33 0.00 0.00 175.10 172.93 2bis s VAL 124 N -0.94 3.93 -0.39 2.04 0.11 0.36 -0.86 120.40 124.65 2bis s VAL 124 Ca -0.09 -0.70 -0.09 0.00 -2.93 0.00 0.00 61.98 58.16 2bis s VAL 124 Cb -0.02 -3.03 0.06 0.00 -1.53 0.00 0.00 36.38 31.86 2bis s VAL 124 CO 0.07 0.08 0.21 -2.28 -3.33 0.00 0.00 175.10 169.86 2bis s HIS 125 N 1.49 3.30 0.03 1.54 5.04 0.16 -1.73 115.29 125.12 2bis s HIS 125 Ca 0.02 -1.35 0.05 0.00 -1.54 0.00 0.00 55.06 52.25 2bis s HIS 125 Cb -0.17 -2.67 -0.03 0.00 0.04 0.00 0.00 32.58 29.74 2bis s HIS 125 CO 0.02 -0.77 -0.10 -0.59 -2.34 0.00 0.00 174.74 170.96 2bis s PHE 126 N 1.46 2.77 -0.13 3.88 -0.12 -0.24 -1.15 117.98 124.45 2bis s PHE 126 Ca 0.02 -0.12 0.03 0.00 -0.05 0.00 0.00 56.93 56.81 2bis s PHE 126 Cb -0.21 -1.54 0.01 0.00 -0.63 0.00 0.00 43.02 40.65 2bis s PHE 126 CO 0.04 0.35 -0.22 -1.01 -0.05 0.00 0.00 175.22 174.32 2bis s HIS 127 N -1.02 2.65 0.52 3.49 3.76 -0.71 -1.62 115.29 122.35 2bis s HIS 127 Ca 0.17 -1.29 0.00 0.00 -0.15 0.00 0.00 55.06 53.79 2bis s HIS 127 Cb -0.11 -1.79 0.00 0.00 1.11 0.00 0.00 32.58 31.79 2bis s HIS 127 CO 0.08 -0.58 0.00 -0.25 -0.85 0.00 0.00 174.74 173.14 2bis n ASP 128 N 3.98 -8.64 0.01 1.40 8.00 -0.33 -4.16 116.55 116.82 2bis n ASP 128 Ca -0.20 1.11 0.01 0.00 0.71 0.00 0.00 54.79 56.43 2bis n ASP 128 Cb 0.52 -4.79 0.33 0.00 -0.02 0.00 0.00 41.12 37.16 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 -1.42 0.50 -0.97 1.24 5.08 -1.89 -2.97 115.95 115.52 2bis h TRP 129 Ca -0.11 -0.04 0.26 0.00 1.08 0.00 0.00 58.89 60.09 2bis h TRP 129 Cb 1.39 -0.15 -0.05 0.00 -3.00 0.00 0.00 29.16 27.34 2bis h TRP 129 CO 0.02 0.47 0.67 0.45 -1.28 0.00 0.00 178.44 178.77 2bis h HIS 130 N 0.48 0.23 -0.48 0.12 3.86 -1.95 0.13 115.15 117.55 2bis h HIS 130 Ca 0.11 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.33 2bis h HIS 130 Cb 0.25 -0.07 0.00 0.00 1.06 0.00 0.00 27.41 28.65 2bis h HIS 130 CO 0.01 0.04 0.00 0.25 0.86 0.00 0.00 177.93 179.09 2bis n THR 131 N -4.37 0.63 -0.33 2.45 -2.24 -1.12 -4.44 114.28 104.86 2bis n THR 131 Ca 0.21 -0.68 -0.04 0.00 -2.27 0.00 0.00 64.05 61.28 2bis n THR 131 Cb 0.94 0.44 0.09 0.00 -2.10 0.00 0.00 70.33 69.70 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 3.20 1.26 -0.50 2.28 2.07 -0.87 -0.35 116.25 123.34 2bis h VAL 132 Ca 0.00 -0.61 -0.01 0.00 0.82 0.00 0.00 66.70 66.90 2bis h VAL 132 Cb 0.72 0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.49 2bis h VAL 132 CO 0.00 0.28 0.26 -0.26 0.02 0.00 0.00 177.57 177.87 2bis h PHE 133 N 1.25 0.69 -0.11 1.57 -1.00 -1.79 0.22 116.94 117.77 2bis h PHE 133 Ca 0.32 -0.02 -0.00 0.00 2.81 0.00 0.00 57.97 61.07 2bis h PHE 133 Cb -0.00 -0.22 -0.01 0.00 3.61 0.00 0.00 35.95 39.33 2bis h PHE 133 CO 0.01 0.53 0.05 0.00 -1.61 0.00 0.00 178.31 177.28 2bis h ALA 134 N 1.10 0.14 0.73 2.45 0.00 -1.70 -2.63 119.26 119.36 2bis h ALA 134 Ca 0.17 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 2bis h ALA 134 Cb 0.07 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 17.82 2bis h ALA 134 CO -0.03 -0.29 -0.35 0.78 0.00 0.00 0.00 179.25 179.37 2bis h GLY 135 N 0.04 -1.02 0.32 0.00 0.00 -0.78 -1.70 103.07 99.93 2bis h GLY 135 Ca 0.04 0.38 0.20 0.00 0.00 0.00 0.00 47.33 47.95 2bis h GLY 135 CO -0.00 -0.37 0.59 0.00 0.00 0.00 0.00 176.54 176.76 2bis h ALA 136 N -0.79 2.21 0.06 3.60 0.00 -0.65 0.23 119.26 123.92 2bis h ALA 136 Ca -0.10 0.02 -0.21 0.00 0.00 0.00 0.00 54.91 54.62 2bis h ALA 136 Cb 0.76 -0.03 0.02 0.00 0.00 0.00 0.00 17.79 18.55 2bis h ALA 136 CO 0.16 -0.49 -0.85 -0.07 0.00 0.00 0.00 179.25 178.00 2bis h LEU 137 N 0.40 0.65 -0.50 0.00 3.38 -1.19 -1.11 115.31 116.93 2bis h LEU 137 Ca 0.47 -0.81 -0.03 0.00 0.09 0.00 0.00 57.88 57.59 2bis h LEU 137 Cb 1.16 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.69 2bis h LEU 137 CO -0.17 1.39 0.20 0.40 0.09 0.00 0.00 178.44 180.34 2bis h ILE 138 N -0.02 1.21 -0.62 1.22 2.04 -0.68 -1.71 117.51 118.96 2bis h ILE 138 Ca -0.12 -0.66 -0.04 0.00 1.00 0.00 0.00 64.86 65.04 2bis h ILE 138 Cb 1.57 0.71 -0.03 0.00 -0.74 0.00 0.00 36.82 38.33 2bis h ILE 138 CO 0.16 0.25 0.24 0.50 0.00 0.00 0.00 178.15 179.31 2bis h LYS 139 N 0.67 0.91 0.03 2.37 1.63 -0.60 -0.67 116.57 120.91 2bis h LYS 139 Ca 0.17 -0.15 -0.21 0.00 -0.85 0.00 0.00 60.65 59.61 2bis h LYS 139 Cb 0.20 -0.16 -0.02 0.00 -0.60 0.00 0.00 32.23 31.66 2bis h LYS 139 CO -0.01 0.75 -0.97 -0.22 -3.45 0.00 0.00 179.45 175.55 2bis h LYS 140 N 0.90 0.13 0.01 1.90 3.64 -0.94 -2.76 116.57 119.44 2bis h LYS 140 Ca 0.21 -0.17 -0.34 0.00 -1.27 0.00 0.00 60.65 59.08 2bis h LYS 140 Cb 0.18 0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 32.01 2bis h LYS 140 CO -0.02 0.99 -1.90 0.66 -2.27 0.00 0.00 179.45 176.92 2bis n TYR 141 N -3.54 0.58 1.12 1.91 4.02 -0.66 -4.51 117.16 116.08 2bis n TYR 141 Ca -0.03 0.23 0.12 0.00 -0.01 0.00 0.00 57.90 58.21 2bis n TYR 141 Cb 0.88 -1.06 0.25 0.00 -0.02 0.00 0.00 39.34 39.38 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 -4.22 0.00 -3.90 -0.72 3.01 -0.26 -4.96 117.46 106.40 2bis n PHE 142 Ca -0.42 0.00 -0.30 0.00 1.01 0.00 0.00 57.45 57.74 2bis n PHE 142 Cb 0.81 -0.13 0.02 0.00 -0.01 0.00 0.00 39.48 40.18 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 -0.85 -5.40 -3.88 -1.08 4.76 -1.04 -4.96 118.16 105.71 2bis n LYS 143 Ca 0.09 0.59 -0.21 0.00 -2.87 0.00 0.00 58.31 55.92 2bis n LYS 143 Cb 0.36 -5.48 -0.03 0.00 -1.84 0.00 0.00 35.03 28.05 2bis n LYS 143 CO 0.00 0.00 0.00 0.96 -1.37 0.00 0.00 177.40 176.99 2bis s ILE 144 N -3.28 4.50 0.34 -0.18 -4.36 -1.26 -5.07 121.20 111.89 2bis s ILE 144 Ca 0.66 -1.17 -0.27 0.00 -0.26 0.00 0.00 60.65 59.61 2bis s ILE 144 Cb -0.33 -3.53 -0.12 0.00 1.25 0.00 0.00 42.46 39.73 2bis s ILE 144 CO 0.82 -0.27 1.13 -2.65 0.24 0.00 0.00 174.94 174.21 2bis n PRO 145 N -1.39 1.69 -4.08 0.37 -0.02 -1.26 -4.81 135.00 125.50 2bis n PRO 145 Ca -0.06 0.60 -0.19 0.00 -2.02 0.00 0.00 63.50 61.83 2bis n PRO 145 Cb 0.58 -2.11 -0.16 0.00 -0.02 0.00 0.00 33.50 31.79 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 -1.13 0.52 -0.05 3.55 0.00 -1.26 -0.49 121.76 122.91 2bis s ALA 146 Ca 0.58 0.03 0.06 0.00 0.00 0.00 0.00 51.96 52.64 2bis s ALA 146 Cb -0.61 -0.36 -0.01 0.00 0.00 0.00 0.00 23.12 22.14 2bis s ALA 146 CO 0.60 -0.02 -0.25 0.08 0.00 0.00 0.00 175.76 176.17 2bis s VAL 147 N 0.90 2.08 -0.30 0.00 1.01 -0.71 -0.37 120.40 123.02 2bis s VAL 147 Ca -0.11 -1.07 0.01 0.00 0.00 0.00 0.00 61.98 60.81 2bis s VAL 147 Cb -0.14 -1.74 0.06 0.00 0.00 0.00 0.00 36.38 34.56 2bis s VAL 147 CO -0.00 0.57 -0.02 0.12 0.00 0.00 0.00 175.10 175.76 2bis s PHE 148 N -0.27 3.35 -0.17 5.22 5.36 -1.13 -1.08 117.98 129.26 2bis s PHE 148 Ca -0.00 -2.24 -0.13 0.00 -0.96 0.00 0.00 56.93 53.60 2bis s PHE 148 Cb -0.13 -2.21 -0.05 0.00 -0.34 0.00 0.00 43.02 40.29 2bis s PHE 148 CO 0.03 -0.87 0.26 0.99 -1.46 0.00 0.00 175.22 174.17 2bis s THR 149 N 1.14 5.33 -0.23 0.12 2.01 -0.64 -0.95 115.64 122.42 2bis s THR 149 Ca -0.04 0.47 -0.04 0.00 0.31 0.00 0.00 61.69 62.39 2bis s THR 149 Cb -0.20 -3.60 -0.01 0.00 0.01 0.00 0.00 72.50 68.70 2bis s THR 149 CO -0.04 0.40 -0.02 -0.63 -0.69 0.00 0.00 174.62 173.64 2bis s ILE 150 N 0.43 3.51 -0.75 1.82 1.01 0.21 -1.18 121.20 126.24 2bis s ILE 150 Ca 0.15 -0.46 0.24 0.00 0.00 0.00 0.00 60.65 60.57 2bis s ILE 150 Cb -0.13 -2.61 -0.04 0.00 0.01 0.00 0.00 42.46 39.69 2bis s ILE 150 CO 0.03 0.40 1.22 1.41 0.00 0.00 0.00 174.94 177.99 2bis n HIS 151 N 4.81 0.26 -3.65 3.97 8.25 -1.26 -3.91 115.22 123.69 2bis n HIS 151 Ca -0.18 0.08 -0.00 0.00 -0.26 0.00 0.00 57.72 57.36 2bis n HIS 151 Cb 0.51 -0.42 -0.07 0.00 1.12 0.00 0.00 29.99 31.13 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 -3.12 0.04 -0.44 -0.41 3.52 -1.26 -4.81 118.95 112.47 2bis s ARG 152 Ca 0.07 0.06 -0.29 0.00 -0.13 0.00 0.00 55.73 55.44 2bis s ARG 152 Cb 0.15 0.01 0.02 0.00 -1.56 0.00 0.00 34.95 33.58 2bis s ARG 152 CO 0.75 -0.01 1.24 -0.51 -0.81 0.00 0.00 175.30 175.96 2bis s LEU 153 N 0.51 3.64 0.34 -0.88 1.02 -1.26 -4.87 118.68 117.18 2bis s LEU 153 Ca -0.00 0.64 0.20 0.00 0.02 0.00 0.00 54.13 54.99 2bis s LEU 153 Cb -0.04 -3.55 0.18 0.00 0.02 0.00 0.00 46.19 42.81 2bis s LEU 153 CO -0.13 -1.29 1.46 -1.13 0.02 0.00 0.00 176.35 175.28 2bis h ASN 154 N 9.68 0.00 -4.79 2.29 -1.24 -2.03 -3.48 115.58 116.01 2bis h ASN 154 Ca -0.25 0.00 -0.27 0.00 0.71 0.00 0.00 56.30 56.49 2bis h ASN 154 Cb 1.08 0.00 0.12 0.00 0.73 0.00 0.00 38.32 40.25 2bis h ASN 154 CO 1.11 0.22 -0.57 1.17 -1.29 0.00 0.00 177.43 178.07 2bis n LYS 155 N -3.10 -5.41 -2.24 6.67 4.81 -1.26 -5.00 118.16 112.62 2bis n LYS 155 Ca 0.02 0.65 -0.02 0.00 -0.87 0.00 0.00 58.31 58.09 2bis n LYS 155 Cb 0.63 -5.10 -0.01 0.00 0.02 0.00 0.00 35.03 30.57 2bis n LYS 155 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 2bis n SER 156 N -2.45 -0.04 -4.41 3.14 3.41 -1.26 -5.17 113.62 106.84 2bis n SER 156 Ca -0.16 -1.24 -0.21 0.00 -0.26 0.00 0.00 58.87 57.00 2bis n SER 156 Cb 0.61 0.18 -0.10 0.00 -0.26 0.00 0.00 64.21 64.64 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 -2.15 1.51 0.06 4.33 1.02 -1.26 -4.15 119.74 119.09 2bis s LYS 157 Ca 0.04 -1.69 0.08 0.00 0.02 0.00 0.00 55.97 54.42 2bis s LYS 157 Cb 0.00 -1.39 -0.03 0.00 -0.52 0.00 0.00 37.83 35.89 2bis s LYS 157 CO 0.03 0.22 -0.23 -0.51 -0.92 0.00 0.00 175.35 173.95 2bis s LEU 158 N -3.42 2.20 0.51 3.17 1.43 0.94 -4.86 118.68 118.65 2bis s LEU 158 Ca 0.26 -0.58 -0.22 0.00 -1.03 0.00 0.00 54.13 52.56 2bis s LEU 158 Cb -0.02 -1.06 -0.06 0.00 0.03 0.00 0.00 46.19 45.08 2bis s LEU 158 CO 0.11 0.17 1.29 -2.84 0.23 0.00 0.00 176.35 175.31 2bis s PRO 159 N -1.38 3.40 0.59 1.29 0.02 -1.26 -0.30 135.00 137.36 2bis s PRO 159 Ca 0.09 2.08 0.34 0.00 0.02 0.00 0.00 61.00 63.53 2bis s PRO 159 Cb -0.09 -2.34 1.83 0.00 0.02 0.00 0.00 34.50 33.92 2bis s PRO 159 CO 0.03 -0.93 2.19 0.00 -0.33 0.00 0.00 177.00 177.96 2bis h ALA 160 N 1.73 1.20 -0.93 -1.55 0.00 -1.23 -2.61 119.26 115.87 2bis h ALA 160 Ca -0.50 -0.04 0.27 0.00 0.00 0.00 0.00 54.91 54.63 2bis h ALA 160 Cb 1.28 -0.01 -0.17 0.00 0.00 0.00 0.00 17.79 18.90 2bis h ALA 160 CO 0.59 0.05 0.14 0.35 0.00 0.00 0.00 179.25 180.38 2bis h PHE 161 N 0.00 0.16 -0.33 0.00 3.57 -1.90 -1.80 116.94 116.64 2bis h PHE 161 Ca -0.00 0.06 -0.15 0.00 3.53 0.00 0.00 57.97 61.41 2bis h PHE 161 Cb 0.19 0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.00 2bis h PHE 161 CO 0.00 -0.35 -0.40 1.88 -2.23 0.00 0.00 178.31 177.21 2bis h TYR 162 N 0.08 0.98 0.00 0.41 -1.99 -1.85 -2.38 116.97 112.22 2bis h TYR 162 Ca 0.59 -0.29 -0.07 0.00 2.00 0.00 0.00 58.73 60.95 2bis h TYR 162 Cb 1.25 -0.21 -0.01 0.00 2.00 0.00 0.00 36.73 39.76 2bis h TYR 162 CO -0.37 1.08 -0.35 0.74 -0.00 0.00 0.00 178.16 179.26 2bis h PHE 163 N 0.67 0.00 -0.21 4.88 -1.00 -1.55 -2.07 116.94 117.66 2bis h PHE 163 Ca 0.05 0.00 -0.10 0.00 2.81 0.00 0.00 57.97 60.73 2bis h PHE 163 Cb 0.97 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.53 2bis h PHE 163 CO 0.05 0.35 -0.26 0.45 -1.61 0.00 0.00 178.31 177.30 2bis h HIS 164 N 0.00 0.67 0.00 -0.55 3.86 -1.05 0.25 115.15 118.33 2bis h HIS 164 Ca -0.00 -0.21 -0.05 0.00 -1.16 0.00 0.00 60.37 58.95 2bis h HIS 164 Cb 0.81 -0.14 -0.01 0.00 1.06 0.00 0.00 27.41 29.13 2bis h HIS 164 CO 0.00 0.92 -0.22 0.93 0.86 0.00 0.00 177.93 180.42 2bis h GLU 165 N 0.23 0.00 0.00 2.45 4.39 -1.30 -1.76 114.58 118.59 2bis h GLU 165 Ca 0.03 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.73 2bis h GLU 165 Cb 0.82 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.47 2bis h GLU 165 CO 0.06 0.22 0.00 0.00 -1.16 0.00 0.00 179.01 178.13 2bis n ALA 166 N -2.32 2.22 -2.75 3.43 0.00 -0.79 -4.74 120.51 115.57 2bis n ALA 166 Ca -0.01 -0.07 -0.07 0.00 0.00 0.00 0.00 53.44 53.28 2bis n ALA 166 Cb 0.33 -1.44 0.03 0.00 0.00 0.00 0.00 19.45 18.37 2bis n ALA 166 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2bis n GLY 167 N 1.24 0.35 2.73 0.00 0.00 -0.66 -4.98 105.19 103.87 2bis n GLY 167 Ca 0.06 -0.33 -0.04 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.05 1.86 0.24 0.99 4.77 0.86 -4.91 117.00 118.77 2bis n LEU 168 Ca -0.03 -3.34 0.06 0.00 -0.03 0.00 0.00 56.01 52.67 2bis n LEU 168 Cb 0.53 0.39 0.55 0.00 -2.33 0.00 0.00 43.42 42.56 2bis n LEU 168 CO 0.22 1.25 0.96 0.28 -1.33 0.00 0.00 177.39 178.76 2bis h SER 169 N 2.66 0.00 -0.08 -1.43 0.02 -1.83 -0.86 113.55 112.03 2bis h SER 169 Ca -0.08 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.86 2bis h SER 169 Cb 1.26 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.80 2bis h SER 169 CO 0.31 0.12 0.05 1.05 -1.14 0.00 0.00 176.83 177.22 2bis h GLU 170 N 0.00 0.13 0.00 3.45 9.09 -1.90 -2.45 114.58 122.90 2bis h GLU 170 Ca -0.00 -0.01 0.00 0.00 0.05 0.00 0.00 59.36 59.40 2bis h GLU 170 Cb 0.22 -0.03 0.00 0.00 -1.65 0.00 0.00 28.75 27.29 2bis h GLU 170 CO 0.02 0.11 -0.23 1.28 0.05 0.00 0.00 179.01 180.23 2bis n LEU 171 N -4.50 0.27 -3.11 3.06 4.77 -0.33 -4.31 117.00 112.84 2bis n LEU 171 Ca -0.01 0.29 -0.26 0.00 -0.03 0.00 0.00 56.01 55.99 2bis n LEU 171 Cb 0.10 -0.38 -0.05 0.00 -2.33 0.00 0.00 43.42 40.76 2bis n LEU 171 CO 0.35 0.04 0.07 0.00 -1.33 0.00 0.00 177.39 176.51 2bis n ALA 172 N -1.53 4.12 1.88 -1.18 0.00 -0.92 -4.86 120.51 118.03 2bis n ALA 172 Ca 0.06 -4.52 0.09 0.00 0.00 0.00 0.00 53.44 49.07 2bis n ALA 172 Cb 0.35 -0.80 0.53 0.00 0.00 0.00 0.00 19.45 19.52 2bis n ALA 172 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2bis n PRO 173 N 0.19 0.94 -4.54 0.00 -0.04 -1.26 -4.81 135.00 125.49 2bis n PRO 173 Ca 0.30 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.51 2bis n PRO 173 Cb 0.43 -1.30 -0.11 0.00 -0.04 0.00 0.00 33.50 32.49 2bis n PRO 173 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2bis s TYR 174 N -2.00 2.27 0.23 0.54 1.51 -1.26 -5.05 117.35 113.60 2bis s TYR 174 Ca 0.27 -0.73 -0.00 0.00 -1.01 0.00 0.00 57.07 55.59 2bis s TYR 174 Cb 0.12 -1.50 0.25 0.00 -0.11 0.00 0.00 41.96 40.72 2bis s TYR 174 CO 0.21 0.32 1.60 -1.35 -1.11 0.00 0.00 175.55 175.22 2bis h PRO 175 N 1.97 0.50 -5.51 -1.71 0.11 -1.95 -3.41 132.00 122.00 2bis h PRO 175 Ca -0.42 -0.26 -0.52 0.00 0.11 0.00 0.00 66.00 64.91 2bis h PRO 175 Cb 1.24 0.01 -0.29 0.00 0.11 0.00 0.00 31.00 32.07 2bis h PRO 175 CO 0.75 0.83 -0.82 -0.51 -0.21 0.00 0.00 178.00 178.04 2bis s ASP 176 N -6.86 1.88 -0.05 -2.05 1.11 -1.26 -0.87 116.67 108.57 2bis s ASP 176 Ca -0.07 -0.31 0.01 0.00 0.18 0.00 0.00 52.55 52.36 2bis s ASP 176 Cb 0.12 -0.20 0.02 0.00 1.07 0.00 0.00 42.92 43.94 2bis s ASP 176 CO 0.82 0.18 -0.05 -0.63 1.18 0.00 0.00 175.17 176.67 2bis s ILE 177 N -0.43 0.59 -0.22 0.77 1.09 0.59 -4.87 121.20 118.71 2bis s ILE 177 Ca 0.06 -0.15 -0.29 0.00 -1.10 0.00 0.00 60.65 59.17 2bis s ILE 177 Cb -0.06 -0.61 -0.02 0.00 -1.06 0.00 0.00 42.46 40.71 2bis s ILE 177 CO -0.00 0.24 1.46 -0.62 -0.10 0.00 0.00 174.94 175.91 2bis s ASP 178 N 0.93 6.61 0.17 3.58 -1.08 -1.26 -0.04 116.67 125.58 2bis s ASP 178 Ca -0.11 1.57 0.24 0.00 -0.52 0.00 0.00 52.55 53.74 2bis s ASP 178 Cb -0.14 -2.54 0.91 0.00 -1.46 0.00 0.00 42.92 39.69 2bis s ASP 178 CO 0.00 -1.07 1.74 -0.81 0.52 0.00 0.00 175.17 175.55 2bis n PRO 179 N 7.30 0.17 0.09 4.34 -0.04 -1.26 -2.28 135.00 143.32 2bis n PRO 179 Ca 0.16 0.26 -0.08 0.00 -0.04 0.00 0.00 63.50 63.80 2bis n PRO 179 Cb 0.45 -1.75 -0.02 0.00 -0.04 0.00 0.00 33.50 32.14 2bis n PRO 179 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2bis h GLU 180 N 0.00 0.15 -0.32 0.54 5.08 -1.90 -2.30 114.58 115.84 2bis h GLU 180 Ca 0.00 -0.18 -0.17 0.00 -1.00 0.00 0.00 59.36 58.02 2bis h GLU 180 Cb 0.53 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.83 2bis h GLU 180 CO 0.00 0.95 -0.46 1.25 -1.00 0.00 0.00 179.01 179.76 2bis h HIS 181 N 0.08 1.02 0.27 4.33 2.76 -1.85 -2.90 115.15 118.86 2bis h HIS 181 Ca -0.04 -0.33 -0.01 0.00 -2.20 0.00 0.00 60.37 57.79 2bis h HIS 181 Cb 1.55 -0.21 0.00 0.00 1.55 0.00 0.00 27.41 30.31 2bis h HIS 181 CO 0.02 1.13 -0.13 1.15 -1.30 0.00 0.00 177.93 178.81 2bis h THR 182 N 0.67 0.75 -0.57 6.26 2.02 -1.48 0.56 112.91 121.12 2bis h THR 182 Ca 0.04 -0.08 0.11 0.00 0.77 0.00 0.00 66.41 67.24 2bis h THR 182 Cb 1.04 0.80 -0.11 0.00 -1.74 0.00 0.00 68.15 68.14 2bis h THR 182 CO 0.10 0.02 -0.29 1.23 0.37 0.00 0.00 175.52 176.95 2bis h GLY 183 N -0.40 0.01 2.00 2.16 0.00 -1.44 -0.28 103.07 105.12 2bis h GLY 183 Ca -0.04 0.38 -0.08 0.00 0.00 0.00 0.00 47.33 47.59 2bis h GLY 183 CO 0.06 -0.22 -0.37 -1.33 0.00 0.00 0.00 176.54 174.68 2bis h GLY 184 N -0.14 0.00 1.39 4.60 0.00 -1.34 -2.47 103.07 105.11 2bis h GLY 184 Ca 0.24 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.43 2bis h GLY 184 CO -0.65 0.00 -0.44 -1.82 0.00 0.00 0.00 176.54 173.63 2bis h TYR 185 N 0.00 0.80 0.00 5.60 3.20 0.87 -3.25 116.97 124.19 2bis h TYR 185 Ca -0.00 -0.25 -0.11 0.00 3.14 0.00 0.00 58.73 61.51 2bis h TYR 185 Cb 0.78 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.87 2bis h TYR 185 CO 0.00 0.98 -1.12 -0.84 -1.64 0.00 0.00 178.16 175.55 2bis h ILE 186 N 0.54 0.40 -4.15 1.81 -0.00 -1.27 -3.47 117.51 111.37 2bis h ILE 186 Ca 0.04 -1.73 -0.50 0.00 -0.00 0.00 0.00 64.86 62.67 2bis h ILE 186 Cb 0.97 1.95 0.09 0.00 -0.00 0.00 0.00 36.82 39.83 2bis h ILE 186 CO 0.09 0.23 0.40 0.00 -0.00 0.00 0.00 178.15 178.87 2bis s ALA 187 N -3.05 2.58 -0.04 0.16 0.00 -0.94 -4.89 121.76 115.58 2bis s ALA 187 Ca -0.01 0.67 0.02 0.00 0.00 0.00 0.00 51.96 52.64 2bis s ALA 187 Cb 0.09 -3.33 -0.25 0.00 0.00 0.00 0.00 23.12 19.62 2bis s ALA 187 CO 0.79 -1.03 0.67 -0.44 0.00 0.00 0.00 175.76 175.75 2bis h ASP 188 N 0.58 0.24 -5.17 0.00 3.32 -1.02 -3.46 116.42 110.91 2bis h ASP 188 Ca -0.48 -0.44 -0.11 0.00 0.02 0.00 0.00 57.03 56.01 2bis h ASP 188 Cb 1.25 -0.08 -0.16 0.00 0.22 0.00 0.00 39.33 40.57 2bis h ASP 188 CO 0.55 1.38 -0.55 0.27 -1.72 0.00 0.00 179.24 179.18 2bis s ILE 189 N -2.60 0.17 -0.03 0.35 -5.25 -1.21 -4.85 121.20 107.79 2bis s ILE 189 Ca -0.11 -1.41 0.03 0.00 -0.99 0.00 0.00 60.65 58.17 2bis s ILE 189 Cb 0.07 -1.26 0.00 0.00 2.95 0.00 0.00 42.46 44.22 2bis s ILE 189 CO 0.82 -0.78 -0.13 -0.69 -1.79 0.00 0.00 174.94 172.37 2bis s VAL 190 N -3.47 1.07 0.10 8.37 1.01 0.21 -2.82 120.40 124.87 2bis s VAL 190 Ca 0.02 -0.52 0.08 0.00 0.00 0.00 0.00 61.98 61.57 2bis s VAL 190 Cb 0.04 -0.93 -0.04 0.00 0.00 0.00 0.00 36.38 35.45 2bis s VAL 190 CO -0.09 0.32 -0.22 0.42 0.00 0.00 0.00 175.10 175.54 2bis s THR 191 N 0.13 1.77 0.00 3.92 -4.23 -0.12 -0.11 115.64 117.00 2bis s THR 191 Ca -0.03 -1.55 0.00 0.00 -1.18 0.00 0.00 61.69 58.92 2bis s THR 191 Cb -0.10 -1.60 0.00 0.00 1.34 0.00 0.00 72.50 72.14 2bis s THR 191 CO 0.01 -0.03 0.00 1.07 -0.54 0.00 0.00 174.62 175.13 2bis n THR 192 N 1.10 0.00 0.50 3.99 5.66 -0.88 -0.62 114.28 124.03 2bis n THR 192 Ca -0.19 0.00 0.05 0.00 -3.05 0.00 0.00 64.05 60.86 2bis n THR 192 Cb 0.53 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 69.29 2bis n THR 192 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 175.07 172.54 2bis n VAL 193 N 0.00 0.00 -3.48 1.08 0.31 -1.25 -0.48 118.33 114.50 2bis n VAL 193 Ca 0.00 -0.34 -0.15 0.00 -0.01 0.00 0.00 64.34 63.84 2bis n VAL 193 Cb 0.00 1.09 -0.04 0.00 -0.91 0.00 0.00 33.84 33.98 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 -1.64 -0.59 0.24 4.52 1.04 -1.25 -3.44 113.70 112.58 2bis s SER 194 Ca 0.08 0.32 -0.02 0.00 0.48 0.00 0.00 55.95 56.81 2bis s SER 194 Cb 0.09 0.56 0.28 0.00 0.10 0.00 0.00 66.02 67.05 2bis s SER 194 CO 0.33 -0.79 1.70 -0.09 0.98 0.00 0.00 173.24 175.37 2bis h ARG 195 N 2.52 0.73 -0.07 4.02 2.43 -1.90 -2.97 114.38 119.14 2bis h ARG 195 Ca -0.31 -0.25 -0.21 0.00 -0.81 0.00 0.00 59.98 58.40 2bis h ARG 195 Cb 1.23 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.72 2bis h ARG 195 CO 0.39 0.84 -0.83 0.78 -1.51 0.00 0.00 179.97 179.63 2bis h GLY 196 N 0.97 0.61 1.08 2.80 0.00 -1.92 -1.76 103.07 104.85 2bis h GLY 196 Ca 0.11 -0.93 -0.03 0.00 0.00 0.00 0.00 47.33 46.49 2bis h GLY 196 CO 0.04 0.82 0.41 -1.82 0.00 0.00 0.00 176.54 175.99 2bis h TYR 197 N 0.35 1.18 -0.68 5.60 3.20 -1.67 0.69 116.97 125.65 2bis h TYR 197 Ca -0.06 -0.05 0.03 0.00 3.14 0.00 0.00 58.73 61.79 2bis h TYR 197 Cb 1.45 -0.37 -0.04 0.00 1.54 0.00 0.00 36.73 39.30 2bis h TYR 197 CO 0.07 0.85 0.42 1.25 -1.64 0.00 0.00 178.16 179.10 2bis h LEU 198 N 1.18 0.67 -0.05 2.82 5.85 -1.34 0.24 115.31 124.67 2bis h LEU 198 Ca 0.29 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 59.01 2bis h LEU 198 Cb 0.10 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 40.99 2bis h LEU 198 CO -0.04 0.46 0.00 0.40 -0.34 0.00 0.00 178.44 178.93 2bis h ILE 199 N 0.81 1.23 -0.35 4.05 1.08 -0.98 -2.08 117.51 121.26 2bis h ILE 199 Ca 0.28 -0.70 0.03 0.00 -0.39 0.00 0.00 64.86 64.08 2bis h ILE 199 Cb 0.05 1.61 -0.03 0.00 -3.07 0.00 0.00 36.82 35.38 2bis h ILE 199 CO -0.12 0.19 0.16 0.44 -0.69 0.00 0.00 178.15 178.13 2bis h ASP 200 N -0.19 0.22 -0.73 1.72 3.32 -0.58 -2.51 116.42 117.67 2bis h ASP 200 Ca 0.01 0.02 -0.30 0.00 0.02 0.00 0.00 57.03 56.79 2bis h ASP 200 Cb 0.30 -0.02 -0.18 0.00 0.22 0.00 0.00 39.33 39.66 2bis h ASP 200 CO 0.00 0.16 0.37 -0.62 -1.72 0.00 0.00 179.24 177.44 2bis n GLU 201 N -4.97 2.80 -0.14 3.56 -0.58 0.81 -4.60 120.64 117.52 2bis n GLU 201 Ca 0.01 -2.58 0.04 0.00 -0.42 0.00 0.00 57.16 54.20 2bis n GLU 201 Cb 0.10 -2.05 0.34 0.00 -0.57 0.00 0.00 31.44 29.26 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 1.68 0.74 -0.86 -0.32 2.91 -0.90 -1.67 115.95 117.53 2bis h TRP 202 Ca 0.36 0.02 0.24 0.00 1.13 0.00 0.00 58.89 60.64 2bis h TRP 202 Cb 2.32 -0.25 -0.04 0.00 -0.51 0.00 0.00 29.16 30.68 2bis h TRP 202 CO 1.21 0.44 0.61 0.78 -1.03 0.00 0.00 178.44 180.45 2bis h GLY 203 N 0.78 0.13 0.00 2.65 0.00 -1.84 0.77 103.07 105.55 2bis h GLY 203 Ca 0.26 -0.03 -0.24 0.00 0.00 0.00 0.00 47.33 47.32 2bis h GLY 203 CO -0.07 -0.00 -1.33 0.33 0.00 0.00 0.00 176.54 175.46 2bis n PHE 204 N -4.32 0.90 0.27 5.60 7.35 -0.72 -4.50 117.46 122.05 2bis n PHE 204 Ca 0.18 0.39 0.12 0.00 -0.76 0.00 0.00 57.45 57.38 2bis n PHE 204 Cb 0.89 -1.06 0.74 0.00 0.35 0.00 0.00 39.48 40.40 2bis n PHE 204 CO 0.00 0.00 0.00 0.74 -0.76 0.00 0.00 176.76 176.74 2bis h PHE 205 N -1.00 0.00 -0.15 -5.13 0.05 -0.42 -1.82 116.94 108.47 2bis h PHE 205 Ca -0.36 0.00 0.04 0.00 3.82 0.00 0.00 57.97 61.48 2bis h PHE 205 Cb 1.27 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 39.22 2bis h PHE 205 CO 0.05 0.09 0.44 -0.09 -0.18 0.00 0.00 178.31 178.62 2bis h ARG 206 N 0.00 0.00 0.00 1.51 2.43 0.30 -0.07 114.38 118.54 2bis h ARG 206 Ca -0.00 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 2bis h ARG 206 Cb 0.24 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.78 2bis h ARG 206 CO 0.01 0.00 -0.04 -0.91 -1.51 0.00 0.00 179.97 177.52 2bis h ASN 207 N 0.00 0.00 -0.01 -3.80 -0.26 -1.57 -2.71 115.58 107.23 2bis h ASN 207 Ca 0.07 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.81 2bis h ASN 207 Cb 0.95 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.21 2bis h ASN 207 CO -0.00 0.04 0.00 0.49 -1.06 0.00 0.00 177.43 176.90 2bis n PHE 208 N -3.47 0.02 0.00 1.19 3.01 -0.04 -5.04 117.46 113.13 2bis n PHE 208 Ca -0.02 -0.94 0.00 0.00 1.01 0.00 0.00 57.45 57.50 2bis n PHE 208 Cb 0.15 -0.14 0.00 0.00 -0.01 0.00 0.00 39.48 39.48 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 -1.30 0.00 0.00 -1.08 0.00 -1.03 -0.50 120.64 116.74 2bis n GLU 209 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.30 2bis n GLU 209 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 31.44 32.04 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 0.00 2.59 0.88 8.31 0.00 0.12 -4.70 105.19 112.40 2bis n GLY 210 Ca 0.00 -0.45 0.07 0.00 0.00 0.00 0.00 46.02 45.64 2bis n GLY 210 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2bis n LYS 211 N 0.00 3.01 -4.70 1.61 2.85 0.35 -4.81 118.16 116.47 2bis n LYS 211 Ca 0.00 -2.43 -0.33 0.00 -1.05 0.00 0.00 58.31 54.50 2bis n LYS 211 Cb 0.00 -1.54 -0.14 0.00 -0.65 0.00 0.00 35.03 32.70 2bis n LYS 211 CO 0.00 0.00 0.00 -1.50 -0.05 0.00 0.00 177.40 175.85 2bis s ILE 212 N -1.66 3.00 0.02 0.58 1.10 -0.74 0.66 121.20 124.16 2bis s ILE 212 Ca 0.34 -0.67 0.00 0.00 -0.51 0.00 0.00 60.65 59.81 2bis s ILE 212 Cb 0.22 -2.27 -0.00 0.00 0.15 0.00 0.00 42.46 40.56 2bis s ILE 212 CO 0.16 0.52 0.02 1.07 -2.11 0.00 0.00 174.94 174.59 2bis n THR 213 N 3.66 0.00 -4.26 4.00 5.66 0.85 0.39 114.28 124.58 2bis n THR 213 Ca -0.18 -0.10 -0.18 0.00 -3.05 0.00 0.00 64.05 60.54 2bis n THR 213 Cb 0.52 0.05 -0.13 0.00 -1.55 0.00 0.00 70.33 69.23 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 -3.36 1.08 -0.17 1.09 -0.85 -1.26 -2.06 117.35 111.81 2bis s TYR 214 Ca 0.02 -0.37 -0.05 0.00 -0.52 0.00 0.00 57.07 56.14 2bis s TYR 214 Cb 0.00 -0.64 0.06 0.00 0.38 0.00 0.00 41.96 41.76 2bis s TYR 214 CO 0.01 0.02 0.09 0.08 -1.52 0.00 0.00 175.55 174.22 2bis s VAL 215 N -0.95 -0.04 0.49 -3.49 1.01 0.37 -4.91 120.40 112.88 2bis s VAL 215 Ca -0.01 -0.19 -0.24 0.00 0.00 0.00 0.00 61.98 61.54 2bis s VAL 215 Cb -0.08 -0.61 -0.07 0.00 0.00 0.00 0.00 36.38 35.62 2bis s VAL 215 CO 0.01 -0.27 1.42 0.49 0.00 0.00 0.00 175.10 176.75 2bis n PHE 216 N 5.26 2.59 -1.09 5.22 0.99 -1.26 -4.32 117.46 124.85 2bis n PHE 216 Ca -0.07 0.43 -0.30 0.00 -0.00 0.00 0.00 57.45 57.51 2bis n PHE 216 Cb 0.49 -2.43 0.23 0.00 -1.00 0.00 0.00 39.48 36.77 2bis n PHE 216 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 176.76 175.96 2bis s ASN 217 N -0.64 1.30 0.15 4.37 0.02 -1.22 -4.59 114.94 114.33 2bis s ASN 217 Ca 0.65 0.77 0.01 0.00 -1.02 0.00 0.00 52.86 53.27 2bis s ASN 217 Cb -0.43 -1.12 -0.00 0.00 0.02 0.00 0.00 41.25 39.72 2bis s ASN 217 CO 0.54 -3.91 0.02 0.61 0.02 0.00 0.00 177.10 174.38 2bis n GLY 218 N -0.96 3.93 2.96 0.66 0.00 -1.26 -4.82 105.19 105.71 2bis n GLY 218 Ca 0.11 -2.15 -0.13 0.00 0.00 0.00 0.00 46.02 43.84 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 -1.77 0.31 -0.90 -0.61 1.10 -0.35 -4.89 121.20 114.10 2bis s ILE 219 Ca 0.03 -0.44 -0.16 0.00 -0.51 0.00 0.00 60.65 59.56 2bis s ILE 219 Cb 0.00 -0.32 0.17 0.00 0.15 0.00 0.00 42.46 42.47 2bis s ILE 219 CO 0.02 -0.10 0.98 -0.62 -2.11 0.00 0.00 174.94 173.11 2bis s ASP 220 N -0.58 6.72 0.00 4.50 2.15 -1.26 -4.34 116.67 123.86 2bis s ASP 220 Ca -0.03 -2.39 0.18 0.00 0.43 0.00 0.00 52.55 50.74 2bis s ASP 220 Cb -0.04 -2.31 1.08 0.00 -0.30 0.00 0.00 42.92 41.34 2bis s ASP 220 CO -0.00 -0.82 1.50 0.00 -0.17 0.00 0.00 175.17 175.67 2bis h SER 222 N 0.00 0.81 0.02 0.00 4.64 -2.00 -3.35 113.55 113.67 2bis h SER 222 Ca 0.00 -0.45 -0.09 0.00 -0.47 0.00 0.00 61.79 60.78 2bis h SER 222 Cb 0.00 -0.23 0.01 0.00 -0.31 0.00 0.00 62.40 61.86 2bis h SER 222 CO 0.00 1.22 -0.35 0.15 -0.87 0.00 0.00 176.83 176.97 2bis h PHE 223 N 0.54 0.32 -1.16 4.77 3.57 -1.92 -3.38 116.94 119.69 2bis h PHE 223 Ca 0.00 -0.19 -0.74 0.00 3.53 0.00 0.00 57.97 60.58 2bis h PHE 223 Cb 1.17 -0.03 -0.13 0.00 2.79 0.00 0.00 35.95 39.76 2bis h PHE 223 CO 0.06 1.03 2.18 0.91 -2.23 0.00 0.00 178.31 180.26 2bis n TRP 224 N -4.42 3.55 -3.83 0.41 7.02 -1.22 -4.90 117.44 114.05 2bis n TRP 224 Ca -0.10 -2.93 -0.13 0.00 -1.02 0.00 0.00 57.50 53.31 2bis n TRP 224 Cb 0.57 -2.18 -0.15 0.00 -2.42 0.00 0.00 31.31 27.13 2bis n TRP 224 CO 0.00 0.00 0.00 1.21 -2.02 0.00 0.00 177.69 176.88 2bis s ASN 225 N 1.97 0.02 0.50 -0.99 2.47 -1.26 -4.37 114.94 113.29 2bis s ASN 225 Ca 0.43 0.02 0.21 0.00 0.42 0.00 0.00 52.86 53.94 2bis s ASN 225 Cb 0.08 -0.02 1.28 0.00 -1.45 0.00 0.00 41.25 41.14 2bis s ASN 225 CO -0.01 -0.06 2.07 -0.33 -3.72 0.00 0.00 177.10 175.05 2bis h GLU 226 N 6.63 0.00 -1.21 0.43 5.08 -1.90 -2.94 114.58 120.66 2bis h GLU 226 Ca -0.33 0.00 0.35 0.00 -1.00 0.00 0.00 59.36 58.38 2bis h GLU 226 Cb 1.17 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.32 2bis h GLU 226 CO 0.50 0.12 0.80 0.66 -1.00 0.00 0.00 179.01 180.09 2bis h SER 227 N 0.00 0.28 0.57 1.42 4.64 -1.96 0.30 113.55 118.81 2bis h SER 227 Ca -0.00 0.09 -0.02 0.00 -0.47 0.00 0.00 61.79 61.38 2bis h SER 227 Cb 0.26 0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 62.40 2bis h SER 227 CO 0.02 -0.03 -0.11 1.88 -0.87 0.00 0.00 176.83 177.72 2bis h TYR 228 N 0.20 0.00 -2.18 4.77 -1.99 -1.90 -3.44 116.97 112.43 2bis h TYR 228 Ca 0.69 0.00 -0.45 0.00 2.00 0.00 0.00 58.73 60.97 2bis h TYR 228 Cb 2.12 0.00 0.06 0.00 2.00 0.00 0.00 36.73 40.91 2bis h TYR 228 CO -0.00 0.11 -0.01 -0.51 -0.00 0.00 0.00 178.16 177.75 2bis s LEU 229 N -6.84 3.18 -0.14 3.88 1.43 0.09 -5.12 118.68 115.17 2bis s LEU 229 Ca -0.02 -0.23 -0.12 0.00 -1.03 0.00 0.00 54.13 52.74 2bis s LEU 229 Cb 0.12 -2.45 0.04 0.00 0.03 0.00 0.00 46.19 43.92 2bis s LEU 229 CO 0.57 -1.38 0.36 0.42 0.23 0.00 0.00 176.35 176.55 2bis s THR 230 N -2.86 -0.00 0.00 5.49 -4.23 -1.26 -5.05 115.64 107.72 2bis s THR 230 Ca 0.61 0.02 0.00 0.00 -1.18 0.00 0.00 61.69 61.13 2bis s THR 230 Cb -0.08 -0.51 0.00 0.00 1.34 0.00 0.00 72.50 73.25 2bis s THR 230 CO 0.40 0.01 0.00 0.61 -0.54 0.00 0.00 174.62 175.10 2bis n GLY 231 N 3.09 1.80 3.94 3.99 0.00 -1.26 -4.80 105.19 111.95 2bis n GLY 231 Ca -0.15 -2.05 -0.29 0.00 0.00 0.00 0.00 46.02 43.53 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 0.00 3.10 0.07 1.61 1.04 -1.26 -4.88 113.70 113.39 2bis s SER 232 Ca 0.00 0.18 -0.20 0.00 0.48 0.00 0.00 55.95 56.41 2bis s SER 232 Cb 0.00 -0.21 -0.10 0.00 0.10 0.00 0.00 66.02 65.81 2bis s SER 232 CO 0.00 -2.73 1.51 -0.09 0.98 0.00 0.00 173.24 172.91 2bis h ARG 233 N -1.60 0.37 -0.68 4.02 2.43 -1.97 -2.31 114.38 114.63 2bis h ARG 233 Ca -0.44 -0.11 0.03 0.00 -0.81 0.00 0.00 59.98 58.65 2bis h ARG 233 Cb 1.23 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 30.70 2bis h ARG 233 CO 0.36 0.55 0.42 -0.44 -1.51 0.00 0.00 179.97 179.35 2bis h ASP 234 N 0.13 0.68 -0.28 -3.80 5.19 -1.94 0.07 116.42 116.47 2bis h ASP 234 Ca 0.06 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.46 2bis h ASP 234 Cb 0.38 -0.14 -0.01 0.00 0.18 0.00 0.00 39.33 39.74 2bis h ASP 234 CO 0.01 0.47 0.12 -0.33 -3.12 0.00 0.00 179.24 176.39 2bis h GLU 235 N 0.81 0.42 -0.46 3.56 5.08 -1.92 0.46 114.58 122.54 2bis h GLU 235 Ca 0.28 -0.07 -0.05 0.00 -1.00 0.00 0.00 59.36 58.51 2bis h GLU 235 Cb 0.05 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 2bis h GLU 235 CO -0.12 0.43 0.06 0.00 -1.00 0.00 0.00 179.01 178.38 2bis h ARG 236 N 0.32 0.71 0.02 2.33 3.08 -1.08 -1.62 114.38 118.13 2bis h ARG 236 Ca 0.10 -0.15 -0.08 0.00 0.07 0.00 0.00 59.98 59.91 2bis h ARG 236 Cb 0.16 -0.10 0.01 0.00 0.08 0.00 0.00 29.97 30.12 2bis h ARG 236 CO -0.01 0.69 -0.31 -0.22 -1.07 0.00 0.00 179.97 179.05 2bis h LYS 237 N 0.68 0.18 -0.41 0.04 3.64 -0.74 -0.76 116.57 119.21 2bis h LYS 237 Ca 0.15 -0.22 0.08 0.00 -1.27 0.00 0.00 60.65 59.39 2bis h LYS 237 Cb 0.33 0.07 -0.08 0.00 -0.41 0.00 0.00 32.23 32.14 2bis h LYS 237 CO 0.01 0.98 -0.08 -0.22 -2.27 0.00 0.00 179.45 177.87 2bis h LYS 238 N -0.52 0.02 -0.39 1.90 1.63 -0.05 0.81 116.57 119.98 2bis h LYS 238 Ca -0.04 -0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.73 2bis h LYS 238 Cb 1.10 -0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.71 2bis h LYS 238 CO 0.06 0.01 0.16 1.03 -3.45 0.00 0.00 179.45 177.26 2bis h SER 239 N 0.02 0.53 -0.39 4.20 0.87 -1.33 -2.39 113.55 115.07 2bis h SER 239 Ca 0.20 -0.16 -0.14 0.00 -1.23 0.00 0.00 61.79 60.46 2bis h SER 239 Cb 0.30 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.11 2bis h SER 239 CO -0.40 0.55 -0.27 0.25 -0.53 0.00 0.00 176.83 176.42 2bis h LEU 240 N 0.48 0.94 -0.73 2.23 5.85 -0.84 -2.15 115.31 121.08 2bis h LEU 240 Ca 0.13 -0.38 0.02 0.00 0.84 0.00 0.00 57.88 58.50 2bis h LEU 240 Cb 0.18 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 40.91 2bis h LEU 240 CO -0.01 1.15 0.47 -0.07 -0.34 0.00 0.00 178.44 179.64 2bis h LEU 241 N 0.77 0.78 -0.83 2.25 3.38 -0.75 -2.54 115.31 118.38 2bis h LEU 241 Ca 0.09 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.95 2bis h LEU 241 Cb 0.84 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 2bis h LEU 241 CO 0.07 0.55 -0.48 0.77 0.09 0.00 0.00 178.44 179.44 2bis h SER 242 N 0.93 0.00 -0.16 -0.43 4.64 -0.94 0.00 113.55 117.59 2bis h SER 242 Ca 0.29 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.65 2bis h SER 242 Cb -0.02 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.06 2bis h SER 242 CO -0.09 0.48 0.32 0.11 -0.87 0.00 0.00 176.83 176.78 2bis h LYS 243 N 0.00 0.00 -0.59 4.77 1.57 -0.95 0.66 116.57 122.04 2bis h LYS 243 Ca -0.00 0.00 -0.37 0.00 -1.87 0.00 0.00 60.65 58.40 2bis h LYS 243 Cb 1.00 0.00 -0.23 0.00 0.08 0.00 0.00 32.23 33.08 2bis h LYS 243 CO 0.06 0.00 -0.08 1.19 -0.57 0.00 0.00 179.45 180.05 2bis n PHE 244 N -3.34 1.95 -3.56 -1.35 0.99 -0.90 -4.96 117.46 106.29 2bis n PHE 244 Ca 0.02 -2.02 -0.26 0.00 -0.00 0.00 0.00 57.45 55.19 2bis n PHE 244 Cb 0.42 -0.64 -0.01 0.00 -1.00 0.00 0.00 39.48 38.25 2bis n PHE 244 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2bis n GLY 245 N -0.99 -0.47 3.15 1.37 0.00 0.23 -4.94 105.19 103.54 2bis n GLY 245 Ca 0.42 0.09 -0.25 0.00 0.00 0.00 0.00 46.02 46.28 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 -6.21 1.56 0.14 1.61 1.00 -0.06 -4.98 119.30 112.36 2bis s MET 246 Ca 0.47 -0.61 -0.02 0.00 0.00 0.00 0.00 55.69 55.53 2bis s MET 246 Cb -0.26 -1.44 0.03 0.00 0.00 0.00 0.00 34.83 33.17 2bis s MET 246 CO 0.58 0.32 0.19 -0.40 0.00 0.00 0.00 175.02 175.71 2bis n ASP 247 N 2.86 0.08 -4.74 3.03 5.75 -1.26 -2.20 116.55 120.07 2bis n ASP 247 Ca -0.16 -1.11 -0.41 0.00 -0.01 0.00 0.00 54.79 53.10 2bis n ASP 247 Cb 0.54 -0.14 -0.05 0.00 -1.03 0.00 0.00 41.12 40.43 2bis n ASP 247 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 2bis s GLU 248 N -3.26 4.74 0.10 0.11 2.02 -1.26 -4.87 118.70 116.28 2bis s GLU 248 Ca 0.11 1.44 -0.26 0.00 0.02 0.00 0.00 54.97 56.28 2bis s GLU 248 Cb -0.00 -3.34 0.08 0.00 0.10 0.00 0.00 34.13 30.97 2bis s GLU 248 CO 0.08 0.33 1.10 0.20 0.02 0.00 0.00 175.26 176.98 2bis s GLY 249 N -0.41 -0.17 -0.14 -1.39 0.00 -1.26 -4.99 107.32 98.96 2bis s GLY 249 Ca 0.44 0.13 -0.29 0.00 0.00 0.00 0.00 44.72 44.99 2bis s GLY 249 CO 0.30 1.25 1.35 0.14 0.00 0.00 0.00 173.10 176.14 2bis s VAL 250 N -2.62 4.13 -0.22 1.40 1.01 -0.82 -4.75 120.40 118.52 2bis s VAL 250 Ca 0.17 1.36 -0.06 0.00 0.00 0.00 0.00 61.98 63.46 2bis s VAL 250 Cb -0.00 -3.88 -0.02 0.00 0.00 0.00 0.00 36.38 32.47 2bis s VAL 250 CO 0.01 -0.12 0.02 -0.89 0.00 0.00 0.00 175.10 174.12 2bis s THR 251 N 3.62 4.03 -0.00 3.92 2.01 -1.26 0.24 115.64 128.20 2bis s THR 251 Ca 0.59 -0.28 0.05 0.00 0.31 0.00 0.00 61.69 62.36 2bis s THR 251 Cb -0.24 -2.85 -0.03 0.00 0.01 0.00 0.00 72.50 69.39 2bis s THR 251 CO 0.18 0.39 -0.13 -0.36 -0.69 0.00 0.00 174.62 174.01 2bis s PHE 252 N 1.28 2.71 0.04 4.92 0.40 0.53 -0.68 117.98 127.19 2bis s PHE 252 Ca 0.04 -0.15 0.02 0.00 -0.60 0.00 0.00 56.93 56.24 2bis s PHE 252 Cb -0.15 -1.57 -0.03 0.00 0.51 0.00 0.00 43.02 41.79 2bis s PHE 252 CO 0.02 0.27 -0.08 0.00 0.70 0.00 0.00 175.22 176.13 2bis s MET 253 N -1.18 0.54 -0.07 0.44 0.23 -0.44 -1.84 119.30 116.99 2bis s MET 253 Ca 0.14 -0.79 0.03 0.00 -1.03 0.00 0.00 55.69 54.05 2bis s MET 253 Cb -0.11 -0.27 0.01 0.00 -1.53 0.00 0.00 34.83 32.93 2bis s MET 253 CO 0.04 0.04 -0.16 0.12 -2.03 0.00 0.00 175.02 173.03 2bis s PHE 254 N -1.53 1.79 -0.07 3.16 5.36 -0.90 0.91 117.98 126.70 2bis s PHE 254 Ca -0.09 -0.64 0.00 0.00 -0.96 0.00 0.00 56.93 55.24 2bis s PHE 254 Cb -0.09 -1.24 0.02 0.00 -0.34 0.00 0.00 43.02 41.37 2bis s PHE 254 CO -0.00 -0.28 -0.05 0.42 -1.46 0.00 0.00 175.22 173.85 2bis s ILE 255 N 0.40 0.68 0.00 3.12 1.01 -1.26 -1.01 121.20 124.14 2bis s ILE 255 Ca -0.12 -0.13 0.00 0.00 0.00 0.00 0.00 60.65 60.39 2bis s ILE 255 Cb -0.15 -0.73 0.00 0.00 0.01 0.00 0.00 42.46 41.59 2bis s ILE 255 CO 0.05 0.29 0.00 0.61 0.00 0.00 0.00 174.94 175.88 2bis n GLY 256 N 4.57 2.13 3.76 6.18 0.00 -0.92 -5.02 105.19 115.88 2bis n GLY 256 Ca -0.16 -1.06 -0.41 0.00 0.00 0.00 0.00 46.02 44.39 2bis n GLY 256 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2bis s ARG 257 N -2.00 4.46 -0.56 1.61 3.52 -1.26 -4.13 118.95 120.59 2bis s ARG 257 Ca 0.00 2.02 -0.26 0.00 -0.13 0.00 0.00 55.73 57.36 2bis s ARG 257 Cb 0.00 -3.15 0.04 0.00 -1.56 0.00 0.00 34.95 30.27 2bis s ARG 257 CO 0.00 -0.07 1.07 -0.06 -0.81 0.00 0.00 175.30 175.42 2bis s PHE 258 N -0.73 2.70 0.02 5.12 0.08 -0.93 -4.65 117.98 119.59 2bis s PHE 258 Ca 0.50 0.20 0.00 0.00 0.12 0.00 0.00 56.93 57.75 2bis s PHE 258 Cb -0.36 -4.29 -0.00 0.00 -0.57 0.00 0.00 43.02 37.80 2bis s PHE 258 CO 0.44 -1.47 0.02 -0.40 -0.10 0.00 0.00 175.22 173.72 2bis n ASP 259 N 7.94 -0.06 -0.07 1.36 5.68 -1.26 -1.01 116.55 129.13 2bis n ASP 259 Ca 0.05 -1.13 -0.07 0.00 -0.50 0.00 0.00 54.79 53.14 2bis n ASP 259 Cb 0.48 0.12 -0.03 0.00 -1.14 0.00 0.00 41.12 40.56 2bis n ASP 259 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 2bis n ARG 260 N -0.04 0.47 -2.00 0.11 5.12 -1.26 -4.59 116.66 114.47 2bis n ARG 260 Ca 0.00 0.53 -0.11 0.00 -1.93 0.00 0.00 57.85 56.34 2bis n ARG 260 Cb 0.04 -1.69 0.06 0.00 -1.16 0.00 0.00 32.46 29.70 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 1.59 4.53 0.01 -0.13 0.00 -1.26 -4.90 105.19 105.03 2bis n GLY 261 Ca -0.10 -1.89 0.00 0.00 0.00 0.00 0.00 46.02 44.03 2bis n GLY 261 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2bis n GLN 262 N -0.64 0.00 0.08 1.61 1.13 -1.26 -4.64 117.38 113.65 2bis n GLN 262 Ca 0.27 0.00 0.12 0.00 -1.94 0.00 0.00 57.00 55.45 2bis n GLN 262 Cb 0.90 -0.00 0.10 0.00 0.11 0.00 0.00 30.24 31.35 2bis n GLN 262 CO 0.00 0.00 0.00 0.87 -1.44 0.00 0.00 177.06 176.49 2bis h LYS 263 N 0.00 0.00 0.00 -1.09 1.79 -1.85 0.37 116.57 115.79 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 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 2bis h LYS 263 CO 0.00 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 178.78 2bis n GLY 264 N 1.27 0.87 0.22 3.86 0.00 -1.25 -3.45 105.19 106.70 2bis n GLY 264 Ca 0.02 -0.59 -0.02 0.00 0.00 0.00 0.00 46.02 45.43 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 1.28 -0.79 1.61 3.04 -1.85 -1.56 116.25 117.98 2bis h VAL 265 Ca 0.00 -1.34 0.16 0.00 -1.01 0.00 0.00 66.70 64.52 2bis h VAL 265 Cb 0.38 1.51 -0.11 0.00 -2.01 0.00 0.00 31.29 31.06 2bis h VAL 265 CO 0.00 0.41 0.29 -2.24 -1.01 0.00 0.00 177.57 175.02 2bis h ASP 266 N 0.28 0.22 -0.49 3.17 2.03 -1.93 0.69 116.42 120.39 2bis h ASP 266 Ca 0.04 0.13 -0.11 0.00 -0.73 0.00 0.00 57.03 56.35 2bis h ASP 266 Cb 0.71 0.13 -0.02 0.00 -0.83 0.00 0.00 39.33 39.32 2bis h ASP 266 CO 0.05 0.04 -0.13 0.58 -1.03 0.00 0.00 179.24 178.76 2bis h VAL 267 N 0.39 1.27 -0.36 4.15 2.07 -1.65 -2.27 116.25 119.85 2bis h VAL 267 Ca 0.45 -1.28 -0.08 0.00 0.82 0.00 0.00 66.70 66.61 2bis h VAL 267 Cb 0.75 1.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.51 2bis h VAL 267 CO -0.46 0.45 -0.09 0.25 0.02 0.00 0.00 177.57 177.74 2bis h LEU 268 N 0.87 0.71 -0.42 2.57 5.85 -1.07 -1.43 115.31 122.39 2bis h LEU 268 Ca 0.13 -0.36 -0.01 0.00 0.84 0.00 0.00 57.88 58.48 2bis h LEU 268 Cb 0.69 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.50 2bis h LEU 268 CO 0.05 0.91 0.24 -0.07 -0.34 0.00 0.00 178.44 179.23 2bis h LEU 269 N 0.50 0.52 -0.82 2.25 3.38 -0.74 -0.25 115.31 120.15 2bis h LEU 269 Ca 0.09 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 2bis h LEU 269 Cb 0.60 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.18 2bis h LEU 269 CO 0.04 0.45 0.39 0.50 0.09 0.00 0.00 178.44 179.90 2bis h LYS 270 N 0.55 1.19 -0.03 1.13 3.64 -1.43 -2.30 116.57 119.32 2bis h LYS 270 Ca 0.15 -0.18 -0.05 0.00 -1.27 0.00 0.00 60.65 59.30 2bis h LYS 270 Cb 0.04 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 31.64 2bis h LYS 270 CO -0.03 0.92 -0.21 0.00 -2.27 0.00 0.00 179.45 177.86 2bis h ALA 271 N 1.21 1.60 -0.12 5.00 0.00 -0.68 -1.24 119.26 125.03 2bis h ALA 271 Ca 0.28 -0.21 -0.11 0.00 0.00 0.00 0.00 54.91 54.87 2bis h ALA 271 Cb 0.13 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2bis h ALA 271 CO -0.03 0.30 -0.37 0.82 0.00 0.00 0.00 179.25 179.97 2bis h ILE 272 N 0.05 1.38 -0.67 0.00 2.04 -0.75 -1.98 117.51 117.57 2bis h ILE 272 Ca 0.01 -1.68 0.13 0.00 1.00 0.00 0.00 64.86 64.31 2bis h ILE 272 Cb 0.40 2.13 -0.09 0.00 -0.74 0.00 0.00 36.82 38.52 2bis h ILE 272 CO 0.03 0.50 0.18 -0.33 0.00 0.00 0.00 178.15 178.53 2bis h GLU 273 N 0.05 0.30 -0.35 2.37 5.08 -0.99 0.92 114.58 121.96 2bis h GLU 273 Ca -0.01 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.34 2bis h GLU 273 Cb 0.99 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.15 2bis h GLU 273 CO 0.08 0.20 0.21 0.82 -1.00 0.00 0.00 179.01 179.31 2bis h ILE 274 N 0.31 1.04 -0.09 3.13 2.04 -1.18 -2.88 117.51 119.88 2bis h ILE 274 Ca 0.36 -0.14 -0.18 0.00 1.00 0.00 0.00 64.86 65.90 2bis h ILE 274 Cb 0.56 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 37.22 2bis h ILE 274 CO -0.43 0.08 -0.69 -0.07 0.00 0.00 0.00 178.15 177.04 2bis h LEU 275 N 0.42 0.49 -0.36 1.44 3.38 -0.52 -3.35 115.31 116.81 2bis h LEU 275 Ca 0.14 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.80 2bis h LEU 275 Cb -0.00 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.60 2bis h LEU 275 CO -0.06 1.04 0.40 -1.54 0.09 0.00 0.00 178.44 178.37 2bis n SER 276 N -3.86 0.14 0.00 -0.43 3.41 0.31 0.12 113.62 113.31 2bis n SER 276 Ca -0.04 0.36 0.00 0.00 -0.26 0.00 0.00 58.87 58.93 2bis n SER 276 Cb 0.69 -0.28 0.00 0.00 -0.26 0.00 0.00 64.21 64.36 2bis n SER 276 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2bis n SER 277 N -1.67 1.37 -4.88 4.04 3.41 -1.26 -4.96 113.62 109.67 2bis n SER 277 Ca -0.00 -1.42 -0.30 0.00 -0.26 0.00 0.00 58.87 56.89 2bis n SER 277 Cb 0.41 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.37 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 -0.42 3.59 0.31 4.33 -0.14 0.12 -4.98 119.74 122.54 2bis s LYS 278 Ca 0.00 0.66 0.00 0.00 -1.36 0.00 0.00 55.97 55.27 2bis s LYS 278 Cb 0.00 -2.13 0.49 0.00 -1.68 0.00 0.00 37.83 34.51 2bis s LYS 278 CO 0.00 -0.52 1.89 -0.22 -0.76 0.00 0.00 175.35 175.75 2bis h LYS 279 N -0.24 0.83 -0.00 1.68 3.64 -1.95 -3.11 116.57 117.41 2bis h LYS 279 Ca -0.44 -0.12 0.00 0.00 -1.27 0.00 0.00 60.65 58.81 2bis h LYS 279 Cb 1.19 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.86 2bis h LYS 279 CO 0.62 0.67 -0.01 -0.85 -2.27 0.00 0.00 179.45 177.61 2bis n GLU 280 N -4.33 1.15 -0.23 1.90 0.00 -1.26 -3.84 120.64 114.03 2bis n GLU 280 Ca 0.05 -0.31 -0.08 0.00 0.00 0.00 0.00 57.16 56.81 2bis n GLU 280 Cb 0.16 -1.49 0.03 0.00 0.00 0.00 0.00 31.44 30.14 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 0.77 1.15 -0.96 -1.84 3.57 -1.79 -2.17 116.94 115.66 2bis h PHE 281 Ca 0.00 -0.17 0.25 0.00 3.53 0.00 0.00 57.97 61.58 2bis h PHE 281 Cb 0.20 -0.31 -0.06 0.00 2.79 0.00 0.00 35.95 38.56 2bis h PHE 281 CO 0.00 0.99 0.66 -0.56 -2.23 0.00 0.00 178.31 177.16 2bis h GLN 282 N 0.99 0.21 0.00 1.11 3.07 -1.82 -1.81 115.11 116.86 2bis h GLN 282 Ca 0.19 -0.01 0.00 0.00 0.09 0.00 0.00 58.65 58.92 2bis h GLN 282 Cb 0.47 -0.05 0.00 0.00 0.08 0.00 0.00 27.48 27.98 2bis h GLN 282 CO 0.02 0.14 0.00 0.39 0.09 0.00 0.00 178.83 179.47 2bis n GLU 283 N -4.42 0.43 -4.37 0.06 1.02 -0.82 -4.90 120.64 107.65 2bis n GLU 283 Ca 0.21 0.04 -0.24 0.00 -0.02 0.00 0.00 57.16 57.15 2bis n GLU 283 Cb 0.89 -1.50 -0.09 0.00 -0.02 0.00 0.00 31.44 30.72 2bis n GLU 283 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 2bis s MET 284 N -2.47 1.98 -0.01 3.49 -1.94 -0.68 -1.95 119.30 117.72 2bis s MET 284 Ca 0.26 -1.53 0.02 0.00 -1.71 0.00 0.00 55.69 52.73 2bis s MET 284 Cb 0.17 -2.00 -0.00 0.00 2.01 0.00 0.00 34.83 35.01 2bis s MET 284 CO 0.37 0.37 -0.06 1.03 -0.01 0.00 0.00 175.02 176.72 2bis s ARG 285 N -3.40 0.48 -0.08 2.03 1.81 0.14 -4.81 118.95 115.12 2bis s ARG 285 Ca 0.29 -0.21 0.02 0.00 -1.72 0.00 0.00 55.73 54.11 2bis s ARG 285 Cb -0.06 -0.47 0.01 0.00 -0.45 0.00 0.00 34.95 33.98 2bis s ARG 285 CO 0.17 0.12 -0.14 -0.06 -0.68 0.00 0.00 175.30 174.71 2bis s PHE 286 N -0.12 1.70 -0.26 -0.53 0.40 -1.19 -0.35 117.98 117.64 2bis s PHE 286 Ca 0.02 -0.69 0.02 0.00 -0.60 0.00 0.00 56.93 55.68 2bis s PHE 286 Cb -0.02 -1.23 0.05 0.00 0.51 0.00 0.00 43.02 42.33 2bis s PHE 286 CO -0.00 -0.34 -0.10 0.42 0.70 0.00 0.00 175.22 175.90 2bis s ILE 287 N 0.72 2.35 -0.30 0.64 1.01 -0.77 -1.67 121.20 123.19 2bis s ILE 287 Ca -0.13 -1.46 -0.06 0.00 0.00 0.00 0.00 60.65 59.00 2bis s ILE 287 Cb -0.16 -2.31 0.02 0.00 0.01 0.00 0.00 42.46 40.02 2bis s ILE 287 CO 0.03 0.05 0.07 -0.63 0.00 0.00 0.00 174.94 174.45 2bis s ILE 288 N 1.17 3.78 -0.08 2.92 1.01 -0.80 -2.11 121.20 127.08 2bis s ILE 288 Ca -0.06 -0.83 0.03 0.00 0.00 0.00 0.00 60.65 59.78 2bis s ILE 288 Cb -0.19 -2.99 -0.02 0.00 0.01 0.00 0.00 42.46 39.28 2bis s ILE 288 CO -0.05 0.04 -0.16 -0.63 0.00 0.00 0.00 174.94 174.14 2bis s ILE 289 N 1.45 2.89 0.00 2.92 1.01 -0.18 -1.26 121.20 128.03 2bis s ILE 289 Ca 0.01 -0.76 0.00 0.00 0.00 0.00 0.00 60.65 59.91 2bis s ILE 289 Cb -0.18 -2.15 0.00 0.00 0.01 0.00 0.00 42.46 40.14 2bis s ILE 289 CO 0.02 0.56 0.00 0.61 0.00 0.00 0.00 174.94 176.13 2bis n GLY 290 N 2.91 2.97 3.31 6.18 0.00 -0.19 -2.17 105.19 118.20 2bis n GLY 290 Ca -0.18 -1.97 -0.12 0.00 0.00 0.00 0.00 46.02 43.75 2bis n GLY 290 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2bis s LYS 291 N -2.22 1.38 0.00 1.61 0.00 -1.26 -4.31 119.74 114.94 2bis s LYS 291 Ca 0.00 -1.59 0.00 0.00 0.00 0.00 0.00 55.97 54.38 2bis s LYS 291 Cb 0.00 0.33 0.00 0.00 0.00 0.00 0.00 37.83 38.16 2bis s LYS 291 CO 0.00 -0.50 0.00 0.41 0.00 0.00 0.00 175.35 175.26 2bis n GLY 292 N -0.35 -1.06 3.67 0.59 0.00 -1.26 -2.20 105.19 104.59 2bis n GLY 292 Ca 0.02 0.39 -0.42 0.00 0.00 0.00 0.00 46.02 46.00 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 6.70 0.27 1.61 2.15 -0.18 -4.91 116.67 118.31 2bis s ASP 293 Ca 0.00 2.25 -0.02 0.00 0.43 0.00 0.00 52.55 55.21 2bis s ASP 293 Cb 0.00 -2.55 0.45 0.00 -0.30 0.00 0.00 42.92 40.52 2bis s ASP 293 CO 0.00 -0.86 1.86 -0.65 -0.17 0.00 0.00 175.17 175.34 2bis h PRO 294 N 8.82 1.05 -0.47 4.34 0.11 -1.99 -1.49 132.00 142.37 2bis h PRO 294 Ca -0.39 -0.06 -0.08 0.00 0.11 0.00 0.00 66.00 65.57 2bis h PRO 294 Cb 1.18 -0.24 -0.02 0.00 0.11 0.00 0.00 31.00 32.04 2bis h PRO 294 CO 0.94 0.69 -0.03 0.93 -0.21 0.00 0.00 178.00 180.32 2bis h GLU 295 N 1.08 0.85 -0.34 1.05 3.07 -1.99 -0.90 114.58 117.40 2bis h GLU 295 Ca 0.45 -0.29 -0.15 0.00 -0.50 0.00 0.00 59.36 58.87 2bis h GLU 295 Cb 0.28 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 28.12 2bis h GLU 295 CO -0.21 0.92 -0.38 -0.07 -1.40 0.00 0.00 179.01 177.87 2bis h LEU 296 N 0.70 0.86 -0.34 1.33 3.38 -1.90 -0.78 115.31 118.57 2bis h LEU 296 Ca 0.13 -0.39 0.06 0.00 0.09 0.00 0.00 57.88 57.77 2bis h LEU 296 Cb 0.56 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 41.01 2bis h LEU 296 CO 0.03 1.14 0.01 -0.33 0.09 0.00 0.00 178.44 179.39 2bis h GLU 297 N 0.67 0.11 0.09 1.13 5.08 -1.20 0.34 114.58 120.81 2bis h GLU 297 Ca 0.06 -0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.43 2bis h GLU 297 Cb 0.94 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 30.13 2bis h GLU 297 CO 0.09 0.07 -0.26 0.78 -1.00 0.00 0.00 179.01 178.69 2bis h GLY 298 N 0.11 -0.47 0.26 -3.84 0.00 -0.91 0.20 103.07 98.43 2bis h GLY 298 Ca 0.16 0.31 0.09 0.00 0.00 0.00 0.00 47.33 47.89 2bis h GLY 298 CO -0.26 -0.22 0.02 -0.25 0.00 0.00 0.00 176.54 175.83 2bis h TRP 299 N -0.46 0.01 0.54 5.60 2.91 -0.91 0.47 115.95 124.10 2bis h TRP 299 Ca 0.04 0.03 -0.02 0.00 1.13 0.00 0.00 58.89 60.07 2bis h TRP 299 Cb 0.50 0.07 -0.02 0.00 -0.51 0.00 0.00 29.16 29.20 2bis h TRP 299 CO -0.25 -0.08 -0.47 0.00 -1.03 0.00 0.00 178.44 176.61 2bis h ALA 300 N 1.41 -1.08 -0.88 2.65 0.00 0.20 -1.22 119.26 120.34 2bis h ALA 300 Ca 0.24 -0.19 0.18 0.00 0.00 0.00 0.00 54.91 55.14 2bis h ALA 300 Cb 0.34 0.66 -0.07 0.00 0.00 0.00 0.00 17.79 18.72 2bis h ALA 300 CO -0.37 -1.14 0.58 0.00 0.00 0.00 0.00 179.25 178.31 2bis h ARG 301 N -0.99 0.46 0.08 0.00 2.47 -0.44 -0.02 114.38 115.93 2bis h ARG 301 Ca -0.06 -0.03 -0.00 0.00 -1.26 0.00 0.00 59.98 58.63 2bis h ARG 301 Cb 0.85 -0.10 0.00 0.00 -1.65 0.00 0.00 29.97 29.07 2bis h ARG 301 CO -0.03 0.30 -0.04 1.03 0.56 0.00 0.00 179.97 181.80 2bis h SER 302 N 0.47 -0.09 -0.48 7.04 0.87 -0.43 0.21 113.55 121.14 2bis h SER 302 Ca 0.45 -0.18 -0.01 0.00 -1.23 0.00 0.00 61.79 60.83 2bis h SER 302 Cb 1.03 0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 62.98 2bis h SER 302 CO -0.18 0.13 0.28 -0.07 -0.53 0.00 0.00 176.83 176.46 2bis h LEU 303 N -0.30 0.61 -0.20 2.23 3.38 -0.66 -1.83 115.31 118.54 2bis h LEU 303 Ca -0.01 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 2bis h LEU 303 Cb 0.26 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 2bis h LEU 303 CO 0.02 0.49 0.10 -0.08 0.09 0.00 0.00 178.44 179.06 2bis h GLU 304 N 0.70 0.29 -0.52 1.13 4.81 -0.56 -2.22 114.58 118.21 2bis h GLU 304 Ca 0.18 -0.04 0.02 0.00 -0.13 0.00 0.00 59.36 59.39 2bis h GLU 304 Cb 0.02 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.31 2bis h GLU 304 CO -0.03 0.30 0.31 1.49 -0.73 0.00 0.00 179.01 180.35 2bis h GLU 305 N 0.20 0.60 -0.58 1.92 4.57 -0.04 -2.81 114.58 118.44 2bis h GLU 305 Ca 0.07 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.21 2bis h GLU 305 Cb 0.11 -0.14 0.00 0.00 -0.16 0.00 0.00 28.75 28.56 2bis h GLU 305 CO -0.01 0.40 0.00 0.36 -1.18 0.00 0.00 179.01 178.58 2bis n LYS 306 N -4.79 2.46 -3.54 1.92 2.85 -0.74 -4.69 118.16 111.63 2bis n LYS 306 Ca 0.04 -1.52 -0.07 0.00 -1.05 0.00 0.00 58.31 55.70 2bis n LYS 306 Cb 0.07 -1.59 -0.08 0.00 -0.65 0.00 0.00 35.03 32.78 2bis n LYS 306 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 177.40 176.34 2bis s HIS 307 N -1.69 -0.94 0.18 5.58 3.76 -0.84 -5.00 115.29 116.34 2bis s HIS 307 Ca 0.27 1.46 0.21 0.00 -0.15 0.00 0.00 55.06 56.85 2bis s HIS 307 Cb 0.18 0.31 0.80 0.00 1.11 0.00 0.00 32.58 34.98 2bis s HIS 307 CO 0.13 -0.60 1.79 0.78 -0.85 0.00 0.00 174.74 175.99 2bis h GLY 308 N 8.14 0.00 -0.97 -2.22 0.00 -1.84 -2.31 103.07 103.87 2bis h GLY 308 Ca -0.18 0.00 0.35 0.00 0.00 0.00 0.00 47.33 47.50 2bis h GLY 308 CO 0.17 0.00 1.15 -0.57 0.00 0.00 0.00 176.54 177.29 2bis h ASN 309 N 0.00 0.00 -3.32 0.19 -0.00 -1.92 -3.43 115.58 107.10 2bis h ASN 309 Ca -0.00 0.00 -0.53 0.00 -0.00 0.00 0.00 56.30 55.76 2bis h ASN 309 Cb 0.81 0.00 -0.35 0.00 -0.00 0.00 0.00 38.32 38.78 2bis h ASN 309 CO 0.04 0.00 -0.82 -0.69 -0.00 0.00 0.00 177.43 175.96 2bis s VAL 310 N -4.60 1.19 0.06 2.57 1.01 -0.87 -3.15 120.40 116.61 2bis s VAL 310 Ca -0.04 -0.47 0.09 0.00 0.00 0.00 0.00 61.98 61.57 2bis s VAL 310 Cb 0.18 -1.12 -0.03 0.00 0.00 0.00 0.00 36.38 35.41 2bis s VAL 310 CO 0.60 0.38 -0.26 -0.75 0.00 0.00 0.00 175.10 175.07 2bis s LYS 311 N 1.01 1.70 0.06 2.72 2.47 -0.67 -4.54 119.74 122.49 2bis s LYS 311 Ca -0.08 -1.13 0.07 0.00 -1.56 0.00 0.00 55.97 53.27 2bis s LYS 311 Cb -0.15 -1.92 -0.03 0.00 -1.46 0.00 0.00 37.83 34.27 2bis s LYS 311 CO -0.01 0.49 -0.18 0.08 0.16 0.00 0.00 175.35 175.89 2bis s VAL 312 N -0.85 1.46 -0.14 4.02 1.01 -1.26 -1.91 120.40 122.73 2bis s VAL 312 Ca 0.12 -1.23 -0.04 0.00 0.00 0.00 0.00 61.98 60.83 2bis s VAL 312 Cb -0.10 -1.31 0.06 0.00 0.00 0.00 0.00 36.38 35.03 2bis s VAL 312 CO 0.03 0.04 0.11 -0.63 0.00 0.00 0.00 175.10 174.66 2bis s ILE 313 N -0.94 -0.15 -0.51 2.22 1.01 -0.39 -4.95 121.20 117.48 2bis s ILE 313 Ca 0.05 0.02 0.17 0.00 0.00 0.00 0.00 60.65 60.89 2bis s ILE 313 Cb -0.09 -0.48 -0.22 0.00 0.01 0.00 0.00 42.46 41.68 2bis s ILE 313 CO 0.02 -0.13 0.60 0.35 0.00 0.00 0.00 174.94 175.78 2bis n THR 314 N 5.30 0.00 -2.39 2.92 -2.24 -1.26 -1.02 114.28 115.59 2bis n THR 314 Ca -0.06 -0.21 -0.38 0.00 -2.27 0.00 0.00 64.05 61.13 2bis n THR 314 Cb 0.49 0.65 -0.03 0.00 -2.10 0.00 0.00 70.33 69.34 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 -2.87 4.20 0.64 -0.78 -1.05 -1.26 -4.55 118.70 113.03 2bis s GLU 315 Ca 0.01 1.75 -0.11 0.00 -0.15 0.00 0.00 54.97 56.48 2bis s GLU 315 Cb 0.12 -2.75 -0.02 0.00 -0.44 0.00 0.00 34.13 31.05 2bis s GLU 315 CO 0.72 -0.17 1.04 1.41 0.95 0.00 0.00 175.26 179.21 2bis s MET 316 N -2.18 3.34 0.13 -4.83 -2.45 -1.26 -4.86 119.30 107.20 2bis s MET 316 Ca 0.55 0.62 0.02 0.00 -1.25 0.00 0.00 55.69 55.62 2bis s MET 316 Cb -0.29 -2.08 -0.04 0.00 1.25 0.00 0.00 34.83 33.67 2bis s MET 316 CO 0.36 -0.71 -0.04 -0.51 1.05 0.00 0.00 175.02 175.17 2bis s LEU 317 N -5.22 2.36 0.22 4.11 1.43 -1.26 -5.13 118.68 115.19 2bis s LEU 317 Ca 0.56 -1.07 -0.30 0.00 -1.03 0.00 0.00 54.13 52.29 2bis s LEU 317 Cb -0.11 -0.08 -0.08 0.00 0.03 0.00 0.00 46.19 45.94 2bis s LEU 317 CO 0.53 -0.49 1.14 -0.94 0.23 0.00 0.00 176.35 176.81 2bis s SER 318 N -3.10 7.19 0.25 2.29 1.04 -1.26 -4.91 113.70 115.21 2bis s SER 318 Ca 0.17 2.22 0.08 0.00 0.48 0.00 0.00 55.95 58.89 2bis s SER 318 Cb 0.05 -2.61 0.77 0.00 0.10 0.00 0.00 66.02 64.33 2bis s SER 318 CO -0.01 -0.26 1.18 0.54 0.98 0.00 0.00 173.24 175.66 2bis n ARG 319 N 2.00 -0.05 -0.20 4.02 1.74 -1.26 -0.24 116.66 122.66 2bis n ARG 319 Ca 0.02 1.08 -0.08 0.00 -0.77 0.00 0.00 57.85 58.10 2bis n ARG 319 Cb 0.45 -1.81 0.02 0.00 -1.02 0.00 0.00 32.46 30.10 2bis n ARG 319 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 2bis h GLU 320 N 0.00 0.89 -0.05 5.56 3.07 -1.99 0.17 114.58 122.24 2bis h GLU 320 Ca 0.54 -0.19 -0.16 0.00 -0.50 0.00 0.00 59.36 59.05 2bis h GLU 320 Cb 1.28 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 29.05 2bis h GLU 320 CO -0.64 0.80 -0.68 0.35 -1.40 0.00 0.00 179.01 177.44 2bis h PHE 321 N 0.81 0.29 -0.49 4.33 3.57 -0.99 -2.05 116.94 122.41 2bis h PHE 321 Ca 0.19 -0.12 -0.10 0.00 3.53 0.00 0.00 57.97 61.46 2bis h PHE 321 Cb 0.28 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 38.96 2bis h PHE 321 CO 0.02 0.82 -0.09 0.28 -2.23 0.00 0.00 178.31 177.11 2bis h VAL 322 N 0.15 1.27 -0.43 1.41 2.07 -0.90 -0.65 116.25 119.16 2bis h VAL 322 Ca -0.02 -1.22 0.05 0.00 0.82 0.00 0.00 66.70 66.34 2bis h VAL 322 Cb 1.21 1.05 -0.04 0.00 -1.52 0.00 0.00 31.29 31.99 2bis h VAL 322 CO 0.10 0.42 0.18 -0.09 0.02 0.00 0.00 177.57 178.20 2bis h ARG 323 N 0.78 0.35 -0.49 1.57 2.43 -0.60 -0.46 114.38 117.97 2bis h ARG 323 Ca 0.13 -0.02 0.08 0.00 -0.81 0.00 0.00 59.98 59.35 2bis h ARG 323 Cb 0.64 -0.08 -0.06 0.00 -0.42 0.00 0.00 29.97 30.05 2bis h ARG 323 CO 0.04 0.23 0.13 1.49 -1.51 0.00 0.00 179.97 180.35 2bis h GLU 324 N 0.36 0.27 0.09 0.20 4.81 -1.07 -1.96 114.58 117.28 2bis h GLU 324 Ca 0.20 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.41 2bis h GLU 324 Cb 0.16 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.48 2bis h GLU 324 CO -0.18 0.18 -0.04 -0.07 -0.73 0.00 0.00 179.01 178.16 2bis h LEU 325 N 0.28 -0.10 -1.38 1.64 3.38 -0.34 -2.48 115.31 116.31 2bis h LEU 325 Ca 0.24 -0.01 0.12 0.00 0.09 0.00 0.00 57.88 58.31 2bis h LEU 325 Cb 0.29 0.03 -0.06 0.00 0.09 0.00 0.00 40.66 41.01 2bis h LEU 325 CO -0.29 -0.06 0.52 1.88 0.09 0.00 0.00 178.44 180.59 2bis h TYR 326 N -0.14 0.73 0.00 1.13 0.99 -0.99 -1.96 116.97 116.72 2bis h TYR 326 Ca -0.01 0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.74 2bis h TYR 326 Cb 0.11 -0.23 0.00 0.00 1.00 0.00 0.00 36.73 37.61 2bis h TYR 326 CO -0.07 0.31 0.00 0.41 -0.00 0.00 0.00 178.16 178.82 2bis n GLY 327 N -1.46 -1.20 0.22 3.88 0.00 -0.75 -3.70 105.19 102.18 2bis n GLY 327 Ca 0.14 -0.09 -0.04 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.41 2.84 -4.47 1.61 7.64 -0.82 -4.86 113.62 114.16 2bis n SER 328 Ca 0.08 -0.00 -0.29 0.00 1.01 0.00 0.00 58.87 59.66 2bis n SER 328 Cb 0.24 -0.10 0.23 0.00 -1.01 0.00 0.00 64.21 63.57 2bis n SER 328 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 2bis n VAL 329 N -2.79 0.00 -0.13 0.44 0.24 -0.80 -4.62 118.33 110.67 2bis n VAL 329 Ca -0.09 -0.37 -0.27 0.00 -2.04 0.00 0.00 64.34 61.57 2bis n VAL 329 Cb 0.59 -0.94 -0.09 0.00 -1.47 0.00 0.00 33.84 31.93 2bis n VAL 329 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 2bis n ASP 330 N -4.38 1.95 -4.41 -1.34 10.43 0.14 -4.72 116.55 114.23 2bis n ASP 330 Ca 0.04 0.35 -0.25 0.00 2.57 0.00 0.00 54.79 57.50 2bis n ASP 330 Cb 0.55 -0.83 -0.11 0.00 1.84 0.00 0.00 41.12 42.57 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 -2.53 2.18 -0.18 1.24 0.40 -0.55 -1.55 117.98 116.99 2bis s PHE 331 Ca -0.37 -0.38 0.01 0.00 -0.60 0.00 0.00 56.93 55.59 2bis s PHE 331 Cb 0.13 -1.07 0.02 0.00 0.51 0.00 0.00 43.02 42.61 2bis s PHE 331 CO 0.49 0.48 -0.19 0.08 0.70 0.00 0.00 175.22 176.78 2bis s VAL 332 N -1.86 2.03 -0.13 -0.44 1.01 0.09 -1.32 120.40 119.77 2bis s VAL 332 Ca 0.21 -0.93 -0.17 0.00 0.00 0.00 0.00 61.98 61.08 2bis s VAL 332 Cb -0.07 -1.84 -0.04 0.00 0.00 0.00 0.00 36.38 34.43 2bis s VAL 332 CO 0.10 0.52 0.43 -0.63 0.00 0.00 0.00 175.10 175.51 2bis s ILE 333 N 1.30 5.22 -0.53 2.22 1.01 0.26 -0.62 121.20 130.06 2bis s ILE 333 Ca 0.05 0.84 0.06 0.00 0.00 0.00 0.00 60.65 61.59 2bis s ILE 333 Cb -0.13 -3.77 0.21 0.00 0.01 0.00 0.00 42.46 38.78 2bis s ILE 333 CO -0.13 0.34 0.51 -0.38 0.00 0.00 0.00 174.94 175.28 2bis n ILE 334 N 3.69 0.35 -0.81 2.92 5.41 0.33 -4.41 119.36 126.83 2bis n ILE 334 Ca -0.08 -4.29 -0.08 0.00 1.00 0.00 0.00 62.75 59.29 2bis n ILE 334 Cb 0.52 -1.95 -0.06 0.00 -0.71 0.00 0.00 39.64 37.43 2bis n ILE 334 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 2bis n PRO 335 N 1.86 1.57 -2.18 0.38 -0.04 -1.26 -1.43 135.00 133.90 2bis n PRO 335 Ca 0.25 -0.73 -0.38 0.00 -0.04 0.00 0.00 63.50 62.60 2bis n PRO 335 Cb 0.45 -1.53 -0.01 0.00 -0.04 0.00 0.00 33.50 32.37 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 1.67 6.23 0.02 3.54 0.01 -1.22 -3.96 113.70 119.98 2bis s SER 336 Ca 0.33 2.44 -0.18 0.00 1.31 0.00 0.00 55.95 59.85 2bis s SER 336 Cb 0.18 -2.62 -0.27 0.00 0.21 0.00 0.00 66.02 63.52 2bis s SER 336 CO -0.02 -0.89 1.08 1.88 0.41 0.00 0.00 173.24 175.70 2bis h TYR 337 N 2.32 0.80 -4.06 2.43 -1.99 -1.17 -3.43 116.97 111.88 2bis h TYR 337 Ca -0.49 -0.48 -0.11 0.00 2.00 0.00 0.00 58.73 59.65 2bis h TYR 337 Cb 1.25 -0.07 -0.15 0.00 2.00 0.00 0.00 36.73 39.76 2bis h TYR 337 CO 0.53 1.33 -0.56 -0.59 -0.00 0.00 0.00 178.16 178.87 2bis s PHE 338 N -3.01 0.37 -0.29 4.88 -0.12 -1.25 -4.94 117.98 113.61 2bis s PHE 338 Ca -0.12 -0.86 0.02 0.00 -0.05 0.00 0.00 56.93 55.93 2bis s PHE 338 Cb 0.04 -0.26 0.20 0.00 -0.63 0.00 0.00 43.02 42.37 2bis s PHE 338 CO 0.88 -0.43 0.69 -2.00 -0.05 0.00 0.00 175.22 174.30 2bis s GLU 339 N -3.80 0.47 0.25 1.99 2.56 -1.26 -4.87 118.70 114.04 2bis s GLU 339 Ca 0.05 0.47 -0.07 0.00 0.00 0.00 0.00 54.97 55.42 2bis s GLU 339 Cb 0.06 0.21 0.45 0.00 2.00 0.00 0.00 34.13 36.85 2bis s GLU 339 CO -0.10 -0.88 1.63 -1.35 -0.56 0.00 0.00 175.26 174.00 2bis h PRO 340 N 7.84 0.09 0.00 4.30 0.11 -1.91 -0.26 132.00 142.17 2bis h PRO 340 Ca -0.03 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.08 2bis h PRO 340 Cb 1.19 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2bis h PRO 340 CO 0.10 0.06 0.00 0.34 -0.21 0.00 0.00 178.00 178.29 2bis n PHE 341 N -5.36 0.00 0.00 0.65 -0.00 -1.26 -3.52 117.46 107.96 2bis n PHE 341 Ca 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.59 2bis n PHE 341 Cb 0.48 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 39.96 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 3.27 0.42 0.37 7.13 0.00 -1.26 -2.10 105.19 113.01 2bis n GLY 342 Ca 0.00 -0.09 0.09 0.00 0.00 0.00 0.00 46.02 46.02 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 0.75 -1.04 0.99 5.85 -2.00 -2.03 115.31 117.82 2bis h LEU 343 Ca 0.00 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 2bis h LEU 343 Cb 0.00 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 40.86 2bis h LEU 343 CO 0.00 0.42 0.51 0.58 -0.34 0.00 0.00 178.44 179.61 2bis h VAL 344 N 0.82 1.24 -0.70 1.05 2.07 -1.97 -0.68 116.25 118.06 2bis h VAL 344 Ca 0.42 -0.53 -0.03 0.00 0.82 0.00 0.00 66.70 67.37 2bis h VAL 344 Cb 0.50 0.03 -0.03 0.00 -1.52 0.00 0.00 31.29 30.27 2bis h VAL 344 CO -0.18 0.25 0.31 0.00 0.02 0.00 0.00 177.57 177.96 2bis h ALA 345 N 1.37 1.21 -0.21 1.67 0.00 -1.78 -1.56 119.26 119.96 2bis h ALA 345 Ca 0.31 -0.16 -0.17 0.00 0.00 0.00 0.00 54.91 54.88 2bis h ALA 345 Cb -0.04 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.47 2bis h ALA 345 CO -0.06 0.59 -0.57 -0.07 0.00 0.00 0.00 179.25 179.14 2bis h LEU 346 N 1.01 0.74 -0.82 0.00 3.38 -1.16 -0.73 115.31 117.72 2bis h LEU 346 Ca 0.24 -0.40 -0.10 0.00 0.09 0.00 0.00 57.88 57.70 2bis h LEU 346 Cb 0.16 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 2bis h LEU 346 CO -0.03 1.15 -0.22 -0.33 0.09 0.00 0.00 178.44 179.10 2bis h GLU 347 N 0.50 0.63 0.16 1.13 5.08 -0.91 -1.47 114.58 119.70 2bis h GLU 347 Ca 0.00 -0.24 -0.01 0.00 -1.00 0.00 0.00 59.36 58.12 2bis h GLU 347 Cb 1.14 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.36 2bis h GLU 347 CO 0.11 0.81 -0.08 0.00 -1.00 0.00 0.00 179.01 178.85 2bis h ALA 348 N 1.20 -0.22 -0.52 3.43 0.00 -1.21 -3.22 119.26 118.73 2bis h ALA 348 Ca 0.08 -0.22 0.13 0.00 0.00 0.00 0.00 54.91 54.90 2bis h ALA 348 Cb 0.69 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 2bis h ALA 348 CO 0.05 -0.37 0.36 0.52 0.00 0.00 0.00 179.25 179.81 2bis h MET 349 N -0.72 0.11 0.00 0.00 2.86 -1.10 0.36 114.93 116.45 2bis h MET 349 Ca -0.02 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 2bis h MET 349 Cb 0.51 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.14 2bis h MET 349 CO 0.04 0.07 0.00 0.00 1.06 0.00 0.00 176.91 178.08 2bis n LEU 351 N -2.51 2.34 0.00 0.00 4.77 0.00 -4.67 117.00 116.93 2bis n LEU 351 Ca 0.04 -2.14 0.00 0.00 -0.03 0.00 0.00 56.01 53.88 2bis n LEU 351 Cb 0.41 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.38 2bis n LEU 351 CO 0.29 0.58 0.00 0.61 -1.33 0.00 0.00 177.39 177.54 2bis n GLY 352 N -0.33 0.34 3.73 -0.72 0.00 -0.75 -4.18 105.19 103.28 2bis n GLY 352 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.11 3.37 -0.15 4.61 0.00 -0.51 -4.63 121.76 122.33 2bis s ALA 353 Ca 0.00 0.81 -0.26 0.00 0.00 0.00 0.00 51.96 52.52 2bis s ALA 353 Cb 0.00 -3.37 -0.02 0.00 0.00 0.00 0.00 23.12 19.73 2bis s ALA 353 CO 0.00 -0.25 0.83 0.42 0.00 0.00 0.00 175.76 176.76 2bis s ILE 354 N 0.04 4.89 0.16 0.00 1.09 -0.59 -3.38 121.20 123.41 2bis s ILE 354 Ca 0.51 1.66 -0.30 0.00 -1.10 0.00 0.00 60.65 61.42 2bis s ILE 354 Cb -0.29 -4.14 -0.07 0.00 -1.06 0.00 0.00 42.46 36.89 2bis s ILE 354 CO 0.34 0.06 1.17 -2.84 -0.10 0.00 0.00 174.94 173.56 2bis s PRO 355 N 1.93 4.51 -0.28 2.79 0.02 -1.26 -0.73 135.00 141.98 2bis s PRO 355 Ca 0.39 1.80 0.01 0.00 0.02 0.00 0.00 61.00 63.23 2bis s PRO 355 Cb -0.17 -3.27 0.06 0.00 0.02 0.00 0.00 34.50 31.13 2bis s PRO 355 CO 0.14 -0.08 -0.06 0.42 -0.33 0.00 0.00 177.00 177.10 2bis s ILE 356 N 0.13 2.52 0.09 2.83 1.01 0.21 -1.48 121.20 126.51 2bis s ILE 356 Ca 0.53 -1.55 0.05 0.00 0.00 0.00 0.00 60.65 59.67 2bis s ILE 356 Cb -0.31 -2.48 -0.03 0.00 0.01 0.00 0.00 42.46 39.65 2bis s ILE 356 CO 0.34 -0.08 -0.12 0.00 0.00 0.00 0.00 174.94 175.08 2bis s ALA 357 N 1.16 1.19 0.37 9.38 0.00 0.24 -0.52 121.76 133.58 2bis s ALA 357 Ca -0.07 -1.11 -0.28 0.00 0.00 0.00 0.00 51.96 50.50 2bis s ALA 357 Cb -0.20 -0.04 -0.10 0.00 0.00 0.00 0.00 23.12 22.78 2bis s ALA 357 CO -0.03 0.07 1.36 -1.12 0.00 0.00 0.00 175.76 176.04 2bis s SER 358 N -2.12 6.52 -1.49 0.00 0.01 -0.51 -1.14 113.70 114.96 2bis s SER 358 Ca 0.02 2.79 -0.09 0.00 1.31 0.00 0.00 55.95 59.99 2bis s SER 358 Cb -0.06 -2.65 -0.07 0.00 0.21 0.00 0.00 66.02 63.44 2bis s SER 358 CO 0.02 -0.72 2.93 0.00 0.41 0.00 0.00 173.24 175.87 2bis n ALA 359 N 0.52 7.41 -2.68 1.44 0.00 0.33 -4.57 120.51 122.96 2bis n ALA 359 Ca 0.01 -3.50 -0.19 0.00 0.00 0.00 0.00 53.44 49.76 2bis n ALA 359 Cb 0.41 -3.23 -0.12 0.00 0.00 0.00 0.00 19.45 16.51 2bis n ALA 359 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2bis s VAL 360 N 1.63 1.15 0.00 0.00 -7.23 -1.26 -4.85 120.40 109.84 2bis s VAL 360 Ca 0.68 -1.22 0.00 0.00 -1.81 0.00 0.00 61.98 59.62 2bis s VAL 360 Cb 0.19 -1.08 0.00 0.00 0.56 0.00 0.00 36.38 36.05 2bis s VAL 360 CO -0.06 -0.14 0.00 0.61 -0.31 0.00 0.00 175.10 175.20 2bis n GLY 361 N 1.46 2.48 0.14 2.32 0.00 -1.25 -2.21 105.19 108.13 2bis n GLY 361 Ca -0.20 0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 0.00 0.23 -0.02 0.00 -1.02 -2.97 103.07 99.30 2bis h GLY 362 Ca 0.00 0.00 0.24 0.00 0.00 0.00 0.00 47.33 47.57 2bis h GLY 362 CO 0.00 0.00 0.63 1.41 0.00 0.00 0.00 176.54 178.58 2bis h LEU 363 N 0.00 0.14 -1.12 3.11 3.38 -0.94 0.25 115.31 120.14 2bis h LEU 363 Ca -0.01 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 2bis h LEU 363 Cb 1.22 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.93 2bis h LEU 363 CO 0.08 0.05 0.17 -0.09 0.09 0.00 0.00 178.44 178.74 2bis h ARG 364 N 0.14 0.80 0.00 1.13 2.43 -1.53 -1.79 114.38 115.56 2bis h ARG 364 Ca 0.44 -0.14 -0.01 0.00 -0.81 0.00 0.00 59.98 59.47 2bis h ARG 364 Cb 1.53 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.95 2bis h ARG 364 CO -0.07 0.69 -0.02 -0.44 -1.51 0.00 0.00 179.97 178.61 2bis h ASP 365 N 0.78 0.01 -0.28 -3.80 3.32 -0.77 -3.37 116.42 112.31 2bis h ASP 365 Ca 0.18 -0.94 0.03 0.00 0.02 0.00 0.00 57.03 56.32 2bis h ASP 365 Cb 0.22 -0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.73 2bis h ASP 365 CO -0.01 0.96 0.09 0.40 -1.72 0.00 0.00 179.24 178.96 2bis h ILE 366 N -0.93 0.91 -3.05 0.35 2.04 -0.99 -3.43 117.51 112.42 2bis h ILE 366 Ca -0.00 -0.07 -0.61 0.00 1.00 0.00 0.00 64.86 65.17 2bis h ILE 366 Cb 0.96 0.68 -0.07 0.00 -0.74 0.00 0.00 36.82 37.65 2bis h ILE 366 CO 0.00 0.04 -0.29 -0.63 0.00 0.00 0.00 178.15 177.27 2bis s ILE 367 N -6.17 5.23 0.33 -0.67 1.01 -0.68 -5.02 121.20 115.23 2bis s ILE 367 Ca -0.13 0.62 0.04 0.00 0.00 0.00 0.00 60.65 61.18 2bis s ILE 367 Cb 0.11 -3.63 -0.06 0.00 0.01 0.00 0.00 42.46 38.89 2bis s ILE 367 CO 0.70 0.51 0.07 0.42 0.00 0.00 0.00 174.94 176.63 2bis s THR 368 N -0.44 1.08 0.29 2.92 -4.23 -1.26 -4.77 115.64 109.23 2bis s THR 368 Ca 0.20 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 58.74 2bis s THR 368 Cb -0.14 -2.74 0.29 0.00 1.34 0.00 0.00 72.50 71.25 2bis s THR 368 CO 0.08 0.00 1.80 0.78 -0.54 0.00 0.00 174.62 176.74 2bis h ASN 369 N 2.10 0.83 1.04 3.99 2.35 -1.99 0.33 115.58 124.23 2bis h ASN 369 Ca -0.40 0.08 0.00 0.00 -0.55 0.00 0.00 56.30 55.43 2bis h ASN 369 Cb 1.25 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 39.54 2bis h ASN 369 CO 0.68 0.35 0.00 -0.62 -1.65 0.00 0.00 177.43 176.19 2bis n GLU 370 N -4.72 0.22 0.00 0.81 4.71 -1.26 -4.21 120.64 116.18 2bis n GLU 370 Ca 0.21 0.33 0.00 0.00 -0.01 0.00 0.00 57.16 57.69 2bis n GLU 370 Cb 0.48 -1.83 0.00 0.00 -1.01 0.00 0.00 31.44 29.08 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 -2.22 0.00 -2.35 2.62 -2.24 -0.61 -4.73 114.28 104.74 2bis n THR 371 Ca 0.04 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.82 2bis n THR 371 Cb 0.31 -0.35 0.00 0.00 -2.10 0.00 0.00 70.33 68.20 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 2.54 2.71 2.88 3.38 0.00 0.01 -4.32 105.19 112.40 2bis n GLY 372 Ca 0.00 -0.86 -0.27 0.00 0.00 0.00 0.00 46.02 44.89 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 -2.97 1.00 0.16 -0.61 1.01 -0.55 -4.56 121.20 114.68 2bis s ILE 373 Ca 0.00 -0.43 -0.05 0.00 0.00 0.00 0.00 60.65 60.17 2bis s ILE 373 Cb 0.00 -1.12 -0.06 0.00 0.01 0.00 0.00 42.46 41.29 2bis s ILE 373 CO 0.00 0.22 0.40 -0.76 0.00 0.00 0.00 174.94 174.80 2bis s LEU 374 N 1.70 4.24 -0.02 2.97 1.43 -1.26 -0.59 118.68 127.15 2bis s LEU 374 Ca 0.03 0.61 -0.05 0.00 -1.03 0.00 0.00 54.13 53.69 2bis s LEU 374 Cb -0.14 -3.35 0.00 0.00 0.03 0.00 0.00 46.19 42.74 2bis s LEU 374 CO -0.08 0.02 0.10 -0.69 0.23 0.00 0.00 176.35 175.94 2bis s VAL 375 N -1.71 0.04 0.24 -1.59 1.01 -0.29 -4.92 120.40 113.19 2bis s VAL 375 Ca 0.42 -0.34 -0.31 0.00 0.00 0.00 0.00 61.98 61.74 2bis s VAL 375 Cb -0.12 -0.26 -0.12 0.00 0.00 0.00 0.00 36.38 35.87 2bis s VAL 375 CO 0.25 -0.19 1.62 1.17 0.00 0.00 0.00 175.10 177.95 2bis n LYS 376 N 2.33 2.59 -2.22 2.72 4.81 -1.26 -0.51 118.16 126.62 2bis n LYS 376 Ca -0.17 0.93 -0.33 0.00 -0.87 0.00 0.00 58.31 57.87 2bis n LYS 376 Cb 0.57 -2.72 -0.01 0.00 0.02 0.00 0.00 35.03 32.90 2bis n LYS 376 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2bis s ALA 377 N 0.50 2.81 -0.19 3.14 0.00 -1.26 -3.84 121.76 122.91 2bis s ALA 377 Ca 0.70 0.44 0.00 0.00 0.00 0.00 0.00 51.96 53.10 2bis s ALA 377 Cb -0.54 -3.23 0.00 0.00 0.00 0.00 0.00 23.12 19.35 2bis s ALA 377 CO 0.42 -0.62 0.00 0.41 0.00 0.00 0.00 175.76 175.97 2bis n GLY 378 N -0.81 0.46 2.96 0.00 0.00 -1.26 -4.99 105.19 101.55 2bis n GLY 378 Ca 0.09 -0.15 -0.31 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.20 4.57 0.28 1.61 -1.08 -1.25 -4.99 116.67 113.60 2bis s ASP 379 Ca 0.00 -2.24 0.06 0.00 -0.52 0.00 0.00 52.55 49.85 2bis s ASP 379 Cb 0.00 -1.51 0.42 0.00 -1.46 0.00 0.00 42.92 40.37 2bis s ASP 379 CO 0.00 -0.36 1.68 -0.65 0.52 0.00 0.00 175.17 176.36 2bis h PRO 380 N 7.47 0.24 -0.53 4.34 0.11 -1.91 -1.70 132.00 140.02 2bis h PRO 380 Ca -0.06 -0.12 -0.01 0.00 0.11 0.00 0.00 66.00 65.92 2bis h PRO 380 Cb 1.00 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.08 2bis h PRO 380 CO 0.54 0.64 0.28 0.78 -0.21 0.00 0.00 178.00 180.02 2bis h GLY 381 N 1.27 0.79 1.73 -0.55 0.00 -1.94 0.64 103.07 105.02 2bis h GLY 381 Ca 0.01 -0.37 -0.13 0.00 0.00 0.00 0.00 47.33 46.85 2bis h GLY 381 CO 0.07 0.36 -0.49 0.83 0.00 0.00 0.00 176.54 177.31 2bis h GLU 382 N 0.70 0.29 -0.30 4.80 5.08 -1.88 -0.65 114.58 122.62 2bis h GLU 382 Ca 0.18 -0.16 -0.15 0.00 -1.00 0.00 0.00 59.36 58.23 2bis h GLU 382 Cb 0.07 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 2bis h GLU 382 CO -0.03 0.71 -0.43 1.25 -1.00 0.00 0.00 179.01 179.51 2bis h LEU 383 N 0.23 0.82 0.01 1.33 5.85 -1.21 -1.91 115.31 120.42 2bis h LEU 383 Ca 0.01 -0.39 0.01 0.00 0.84 0.00 0.00 57.88 58.36 2bis h LEU 383 Cb 0.94 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.72 2bis h LEU 383 CO 0.08 1.14 -0.08 0.00 -0.34 0.00 0.00 178.44 179.23 2bis h ALA 384 N 0.90 -0.09 -0.71 1.25 0.00 -0.63 -1.21 119.26 118.76 2bis h ALA 384 Ca 0.04 0.00 0.10 0.00 0.00 0.00 0.00 54.91 55.06 2bis h ALA 384 Cb 0.99 0.14 -0.08 0.00 0.00 0.00 0.00 17.79 18.85 2bis h ALA 384 CO 0.09 -0.58 0.33 -0.91 0.00 0.00 0.00 179.25 178.19 2bis h ASN 385 N -0.15 0.40 -0.15 0.00 2.35 -1.11 -1.98 115.58 114.95 2bis h ASN 385 Ca 0.03 0.07 -0.03 0.00 -0.55 0.00 0.00 56.30 55.83 2bis h ASN 385 Cb 0.18 0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.55 2bis h ASN 385 CO -0.08 0.22 0.03 0.00 -1.65 0.00 0.00 177.43 175.95 2bis h ALA 386 N 1.45 1.63 -0.04 -0.83 0.00 -1.08 -0.56 119.26 119.83 2bis h ALA 386 Ca 0.36 -0.12 -0.23 0.00 0.00 0.00 0.00 54.91 54.92 2bis h ALA 386 Cb 0.42 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.11 2bis h ALA 386 CO -0.30 0.28 -0.91 0.82 0.00 0.00 0.00 179.25 179.14 2bis h ILE 387 N 0.32 1.34 -0.20 0.00 2.04 -0.75 -2.50 117.51 117.76 2bis h ILE 387 Ca 0.08 -2.26 -0.01 0.00 1.00 0.00 0.00 64.86 63.67 2bis h ILE 387 Cb 0.17 2.28 -0.01 0.00 -0.74 0.00 0.00 36.82 38.53 2bis h ILE 387 CO 0.00 0.69 0.08 -0.07 0.00 0.00 0.00 178.15 178.84 2bis h LEU 388 N 0.34 0.28 -0.99 1.44 3.38 -1.01 -1.82 115.31 116.93 2bis h LEU 388 Ca -0.08 -0.18 0.07 0.00 0.09 0.00 0.00 57.88 57.78 2bis h LEU 388 Cb 1.54 -0.07 -0.07 0.00 0.09 0.00 0.00 40.66 42.15 2bis h LEU 388 CO 0.17 0.38 0.63 0.11 0.09 0.00 0.00 178.44 179.83 2bis h LYS 389 N 0.17 1.11 -0.58 1.13 1.57 -1.16 -1.31 116.57 117.48 2bis h LYS 389 Ca 0.07 -0.07 0.01 0.00 -1.87 0.00 0.00 60.65 58.79 2bis h LYS 389 Cb 0.19 -0.25 -0.03 0.00 0.08 0.00 0.00 32.23 32.22 2bis h LYS 389 CO -0.00 0.73 0.39 0.00 -0.57 0.00 0.00 179.45 180.00 2bis h ALA 390 N 1.45 1.60 -0.24 3.86 0.00 -1.20 -2.23 119.26 122.50 2bis h ALA 390 Ca 0.43 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 55.22 2bis h ALA 390 Cb 0.19 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2bis h ALA 390 CO -0.18 0.36 -0.21 1.25 0.00 0.00 0.00 179.25 180.48 2bis h LEU 391 N 0.77 0.43 -1.57 0.00 5.85 -0.38 -3.03 115.31 117.39 2bis h LEU 391 Ca 0.22 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.81 2bis h LEU 391 Cb -0.06 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 40.85 2bis h LEU 391 CO -0.05 0.65 0.00 -0.62 -0.34 0.00 0.00 178.44 178.08 2bis n GLU 392 N -4.16 2.12 -0.03 1.25 1.02 -0.84 -3.23 120.64 116.77 2bis n GLU 392 Ca -0.00 -1.09 -0.05 0.00 -0.02 0.00 0.00 57.16 56.00 2bis n GLU 392 Cb 0.37 -1.55 -0.03 0.00 -0.02 0.00 0.00 31.44 30.20 2bis n GLU 392 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2bis n LEU 393 N 0.26 2.80 0.20 -4.62 4.77 -1.15 -4.40 117.00 114.86 2bis n LEU 393 Ca 0.10 -0.03 0.13 0.00 -0.03 0.00 0.00 56.01 56.17 2bis n LEU 393 Cb 0.45 -0.21 0.68 0.00 -2.33 0.00 0.00 43.42 42.01 2bis n LEU 393 CO 0.10 0.58 0.90 0.77 -1.33 0.00 0.00 177.39 178.41 2bis h SER 394 N 0.00 0.00 -0.06 -1.43 4.64 -1.51 -0.57 113.55 114.62 2bis h SER 394 Ca -0.15 0.00 0.04 0.00 -0.47 0.00 0.00 61.79 61.21 2bis h SER 394 Cb 1.24 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.27 2bis h SER 394 CO -0.02 0.00 -0.33 0.03 -0.87 0.00 0.00 176.83 175.64 2bis h ARG 395 N 0.00 -0.43 0.00 4.77 2.47 -1.77 -3.45 114.38 115.98 2bis h ARG 395 Ca 0.00 0.03 -0.32 0.00 -1.26 0.00 0.00 59.98 58.43 2bis h ARG 395 Cb 0.10 0.10 0.05 0.00 -1.65 0.00 0.00 29.97 28.57 2bis h ARG 395 CO 0.00 -0.29 0.06 -1.13 0.56 0.00 0.00 179.97 179.17 2bis n SER 396 N -5.41 1.00 -4.66 7.04 3.41 -0.22 -5.03 113.62 109.74 2bis n SER 396 Ca -0.04 -1.82 -0.43 0.00 -0.26 0.00 0.00 58.87 56.32 2bis n SER 396 Cb 0.33 -0.42 -0.02 0.00 -0.26 0.00 0.00 64.21 63.84 2bis n SER 396 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2bis s ASP 397 N -3.73 7.08 0.00 4.04 3.68 -1.26 -4.88 116.67 121.59 2bis s ASP 397 Ca 0.45 1.35 0.29 0.00 2.13 0.00 0.00 52.55 56.77 2bis s ASP 397 Cb -0.03 -2.53 1.34 0.00 -1.45 0.00 0.00 42.92 40.25 2bis s ASP 397 CO 0.30 -0.65 1.94 0.18 0.13 0.00 0.00 175.17 177.06 2bis n LEU 398 N 6.27 0.22 -0.32 -1.34 4.77 -1.26 -4.20 117.00 121.14 2bis n LEU 398 Ca 0.11 0.17 0.28 0.00 -0.03 0.00 0.00 56.01 56.54 2bis n LEU 398 Cb 0.46 -0.25 0.52 0.00 -2.33 0.00 0.00 43.42 41.82 2bis n LEU 398 CO 0.52 0.04 1.02 0.28 -1.33 0.00 0.00 177.39 177.92 2bis h SER 399 N 0.24 0.21 -0.02 -1.43 0.02 -1.99 -1.38 113.55 109.20 2bis h SER 399 Ca 0.00 0.25 -0.01 0.00 -0.84 0.00 0.00 61.79 61.20 2bis h SER 399 Cb 0.34 0.29 -0.00 0.00 0.14 0.00 0.00 62.40 63.17 2bis h SER 399 CO 0.00 -0.38 -0.01 0.50 -1.14 0.00 0.00 176.83 175.80 2bis h LYS 400 N 0.05 0.04 -0.95 3.45 1.63 -2.01 -2.85 116.57 115.92 2bis h LYS 400 Ca 0.79 -0.02 0.13 0.00 -0.85 0.00 0.00 60.65 60.70 2bis h LYS 400 Cb 1.99 -0.00 -0.08 0.00 -0.60 0.00 0.00 32.23 33.54 2bis h LYS 400 CO -0.77 0.49 0.61 0.74 -3.45 0.00 0.00 179.45 177.06 2bis h PHE 401 N -0.41 1.00 -0.26 1.91 -1.00 -1.57 -1.71 116.94 114.90 2bis h PHE 401 Ca 0.00 0.03 -0.13 0.00 2.81 0.00 0.00 57.97 60.68 2bis h PHE 401 Cb 0.48 -0.31 -0.01 0.00 3.61 0.00 0.00 35.95 39.71 2bis h PHE 401 CO 0.08 0.38 -0.40 0.00 -1.61 0.00 0.00 178.31 176.76 2bis h ARG 402 N 0.85 0.61 -0.02 1.51 3.08 -1.32 -1.87 114.38 117.21 2bis h ARG 402 Ca 0.48 -0.31 -0.12 0.00 0.07 0.00 0.00 59.98 60.10 2bis h ARG 402 Cb 0.61 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.67 2bis h ARG 402 CO -0.24 0.90 -0.48 1.49 -1.07 0.00 0.00 179.97 180.57 2bis h GLU 403 N 0.50 0.35 -0.80 0.04 4.81 -1.21 -1.80 114.58 116.46 2bis h GLU 403 Ca 0.04 -0.36 0.19 0.00 -0.13 0.00 0.00 59.36 59.11 2bis h GLU 403 Cb 0.91 0.10 -0.13 0.00 0.63 0.00 0.00 28.75 30.25 2bis h GLU 403 CO 0.08 1.03 0.12 -0.91 -0.73 0.00 0.00 179.01 178.61 2bis h ASN 404 N -0.19 -0.15 -0.02 1.04 4.21 -1.35 -0.22 115.58 118.90 2bis h ASN 404 Ca -0.05 0.19 -0.00 0.00 1.21 0.00 0.00 56.30 57.64 2bis h ASN 404 Cb 1.19 0.29 -0.00 0.00 -1.12 0.00 0.00 38.32 38.67 2bis h ASN 404 CO 0.09 -0.14 0.01 0.00 -1.29 0.00 0.00 177.43 176.10 2bis h LYS 406 N -0.16 -0.35 -0.36 0.00 1.57 -0.91 0.67 116.57 117.03 2bis h LYS 406 Ca 0.01 0.02 0.07 0.00 -1.87 0.00 0.00 60.65 58.88 2bis h LYS 406 Cb 0.20 0.08 -0.07 0.00 0.08 0.00 0.00 32.23 32.53 2bis h LYS 406 CO -0.00 -0.23 -0.06 0.87 -0.57 0.00 0.00 179.45 179.46 2bis h LYS 407 N -0.36 0.04 -0.58 3.15 1.57 -0.99 -1.74 116.57 117.65 2bis h LYS 407 Ca 0.05 -0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.83 2bis h LYS 407 Cb 0.42 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.70 2bis h LYS 407 CO -0.17 0.02 0.38 -0.09 -0.57 0.00 0.00 179.45 179.03 2bis h ARG 408 N 0.04 0.76 -0.30 3.15 9.65 -0.96 -2.32 114.38 124.39 2bis h ARG 408 Ca 0.18 -0.05 -0.04 0.00 -1.10 0.00 0.00 59.98 58.97 2bis h ARG 408 Cb 0.26 -0.17 -0.02 0.00 -1.39 0.00 0.00 29.97 28.65 2bis h ARG 408 CO -0.35 0.50 -0.01 0.00 2.80 0.00 0.00 179.97 182.92 2bis h ALA 409 N 1.21 1.43 0.00 2.80 0.00 -0.23 -2.48 119.26 121.99 2bis h ALA 409 Ca 0.21 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 2bis h ALA 409 Cb -0.09 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 2bis h ALA 409 CO -0.05 0.40 -0.07 0.52 0.00 0.00 0.00 179.25 180.05 2bis h MET 410 N 0.45 0.00 0.00 0.00 2.86 -0.80 -2.45 114.93 114.98 2bis h MET 410 Ca 0.10 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.74 2bis h MET 410 Cb 0.30 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.96 2bis h MET 410 CO 0.01 0.07 0.00 0.66 1.06 0.00 0.00 176.91 178.71 2bis h SER 411 N 0.00 0.00 -1.54 1.22 4.64 -1.08 -3.30 113.55 113.49 2bis h SER 411 Ca -0.00 0.00 -0.77 0.00 -0.47 0.00 0.00 61.79 60.55 2bis h SER 411 Cb 0.76 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 62.68 2bis h SER 411 CO 0.01 0.00 1.94 0.49 -0.87 0.00 0.00 176.83 178.40 2bis n PHE 412 N -2.56 2.66 -2.85 4.77 3.01 -0.92 -4.96 117.46 116.59 2bis n PHE 412 Ca 0.03 -2.73 -0.31 0.00 1.01 0.00 0.00 57.45 55.45 2bis n PHE 412 Cb 0.37 -1.62 -0.04 0.00 -0.01 0.00 0.00 39.48 38.17 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 -0.21 6.65 0.47 4.37 1.04 -1.25 -1.21 113.70 123.57 2bis s SER 413 Ca 0.49 1.31 0.25 0.00 0.48 0.00 0.00 55.95 58.47 2bis s SER 413 Cb 0.18 -2.39 1.17 0.00 0.10 0.00 0.00 66.02 65.08 2bis s SER 413 CO -0.10 -0.37 1.95 -0.50 0.98 0.00 0.00 173.24 175.19 2bis h TRP 414 N 1.55 0.00 0.58 5.02 4.06 -1.90 -2.54 115.95 122.71 2bis h TRP 414 Ca -0.47 0.00 -0.02 0.00 2.06 0.00 0.00 58.89 60.45 2bis h TRP 414 Cb 1.18 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.34 2bis h TRP 414 CO 0.62 0.19 -0.32 1.49 -3.56 0.00 0.00 178.44 176.86 2bis h GLU 415 N 0.00 -0.80 -0.70 0.49 4.81 -1.93 -0.02 114.58 116.42 2bis h GLU 415 Ca -0.00 0.05 0.09 0.00 -0.13 0.00 0.00 59.36 59.37 2bis h GLU 415 Cb 0.54 0.18 -0.07 0.00 0.63 0.00 0.00 28.75 30.03 2bis h GLU 415 CO 0.02 -0.53 0.35 0.87 -0.73 0.00 0.00 179.01 178.99 2bis h LYS 416 N -0.83 0.59 -0.56 1.92 1.57 -1.91 -0.31 116.57 117.03 2bis h LYS 416 Ca -0.07 -0.04 0.08 0.00 -1.87 0.00 0.00 60.65 58.75 2bis h LYS 416 Cb 0.66 -0.13 -0.06 0.00 0.08 0.00 0.00 32.23 32.77 2bis h LYS 416 CO 0.10 0.39 0.21 1.03 -0.57 0.00 0.00 179.45 180.61 2bis h SER 417 N 0.60 0.23 -0.35 0.86 0.87 -1.34 -2.03 113.55 112.39 2bis h SER 417 Ca 0.34 0.06 -0.05 0.00 -1.23 0.00 0.00 61.79 60.91 2bis h SER 417 Cb 0.35 0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 62.33 2bis h SER 417 CO -0.26 0.15 0.05 0.00 -0.53 0.00 0.00 176.83 176.24 2bis h ALA 418 N 1.37 1.26 -0.41 6.23 0.00 0.41 -2.59 119.26 125.53 2bis h ALA 418 Ca 0.27 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 2bis h ALA 418 Cb 0.30 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 2bis h ALA 418 CO -0.26 0.50 0.09 1.49 0.00 0.00 0.00 179.25 181.07 2bis h GLU 419 N 0.66 0.67 -0.25 0.00 4.57 -0.46 -1.97 114.58 117.80 2bis h GLU 419 Ca 0.14 -0.17 -0.19 0.00 -1.18 0.00 0.00 59.36 57.96 2bis h GLU 419 Cb 0.34 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 28.84 2bis h GLU 419 CO 0.01 0.70 -0.59 -0.09 -1.18 0.00 0.00 179.01 177.86 2bis h ARG 420 N 0.53 0.80 -0.57 1.92 2.43 -1.26 -2.77 114.38 115.46 2bis h ARG 420 Ca 0.13 -0.53 0.06 0.00 -0.81 0.00 0.00 59.98 58.83 2bis h ARG 420 Cb 0.34 0.07 -0.05 0.00 -0.42 0.00 0.00 29.97 29.91 2bis h ARG 420 CO 0.00 1.16 0.28 1.88 -1.51 0.00 0.00 179.97 181.78 2bis h TYR 421 N 0.61 0.51 -0.63 2.20 0.99 -1.31 0.45 116.97 119.78 2bis h TYR 421 Ca 0.00 0.02 0.12 0.00 2.00 0.00 0.00 58.73 60.88 2bis h TYR 421 Cb 1.19 -0.14 -0.09 0.00 1.00 0.00 0.00 36.73 38.68 2bis h TYR 421 CO 0.07 0.23 0.15 0.28 -0.00 0.00 0.00 178.16 178.88 2bis h VAL 422 N 0.53 0.63 -0.87 -2.88 2.07 -1.28 0.51 116.25 114.97 2bis h VAL 422 Ca 0.26 -0.10 0.04 0.00 0.82 0.00 0.00 66.70 67.72 2bis h VAL 422 Cb 0.20 0.33 -0.05 0.00 -1.52 0.00 0.00 31.29 30.24 2bis h VAL 422 CO -0.20 0.05 0.56 0.11 0.02 0.00 0.00 177.57 178.11 2bis h LYS 423 N 0.28 1.04 -0.30 1.57 1.57 -1.04 -2.76 116.57 116.93 2bis h LYS 423 Ca 0.33 -0.06 -0.07 0.00 -1.87 0.00 0.00 60.65 58.98 2bis h LYS 423 Cb 0.50 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 32.56 2bis h LYS 423 CO -0.41 0.69 -0.12 0.00 -0.57 0.00 0.00 179.45 179.04 2bis h ALA 424 N 1.37 1.25 -0.33 3.86 0.00 0.13 -0.61 119.26 124.94 2bis h ALA 424 Ca 0.35 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 2bis h ALA 424 Cb 0.03 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 2bis h ALA 424 CO -0.13 0.49 0.03 1.88 0.00 0.00 0.00 179.25 181.52 2bis h TYR 425 N 0.46 0.50 0.00 0.00 0.99 0.20 -2.03 116.97 117.09 2bis h TYR 425 Ca 0.09 -0.04 0.00 0.00 2.00 0.00 0.00 58.73 60.78 2bis h TYR 425 Cb 0.48 -0.15 0.00 0.00 1.00 0.00 0.00 36.73 38.06 2bis h TYR 425 CO 0.02 0.48 -0.70 0.25 -0.00 0.00 0.00 178.16 178.21 2bis n THR 426 N -4.31 0.11 -0.78 -2.88 -2.24 -1.09 -4.90 114.28 98.18 2bis n THR 426 Ca 0.01 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 2bis n THR 426 Cb 0.22 0.23 0.00 0.00 -2.10 0.00 0.00 70.33 68.68 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 1.44 0.79 2.61 3.38 0.00 -0.66 -4.95 105.19 107.80 2bis n GLY 427 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 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 5.79 -3.80 1.61 7.64 -0.33 -4.86 113.62 119.68 2bis n SER 428 Ca 0.00 -2.83 -0.13 0.00 1.01 0.00 0.00 58.87 56.93 2bis n SER 428 Cb 0.00 -1.58 -0.09 0.00 -1.01 0.00 0.00 64.21 61.53 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 2.13 0.06 0.51 0.44 2.07 -1.26 -4.62 121.20 120.53 2bis s ILE 429 Ca 0.53 -0.47 -0.20 0.00 -1.41 0.00 0.00 60.65 59.10 2bis s ILE 429 Cb 0.15 -0.53 -0.07 0.00 0.13 0.00 0.00 42.46 42.14 2bis s ILE 429 CO -0.07 -0.26 1.10 1.51 -1.91 0.00 0.00 174.94 175.31 2bis s ASP 430 N -1.13 6.04 0.17 4.50 -4.77 -1.26 -5.07 116.67 115.15 2bis s ASP 430 Ca -0.12 2.09 -0.04 0.00 -3.30 0.00 0.00 52.55 51.18 2bis s ASP 430 Cb -0.05 -2.58 -0.03 0.00 -1.09 0.00 0.00 42.92 39.17 2bis s ASP 430 CO 0.03 -0.99 0.17 0.00 0.70 0.00 0.00 175.17 175.07 2bis s ARG 431 N -3.17 1.12 -0.12 2.11 3.03 -1.26 -4.71 118.95 115.95 2bis s ARG 431 Ca 0.69 -1.42 -0.22 0.00 2.03 0.00 0.00 55.73 56.81 2bis s ARG 431 Cb -0.22 0.30 -0.03 0.00 -1.03 0.00 0.00 34.95 33.98 2bis s ARG 431 CO 0.25 -0.37 0.67 0.00 -1.13 0.00 0.00 175.30 174.72 2bis s ALA 432 N -4.06 3.42 0.13 7.88 0.00 0.16 -4.92 121.76 124.38 2bis s ALA 432 Ca 0.27 -0.01 0.10 0.00 0.00 0.00 0.00 51.96 52.32 2bis s ALA 432 Cb 0.06 -2.96 -0.04 0.00 0.00 0.00 0.00 23.12 20.18 2bis s ALA 432 CO 0.05 -0.27 -0.25 -0.06 0.00 0.00 0.00 175.76 175.23 2bis s PHE 433 N 1.21 2.18 0.30 0.00 0.08 -1.26 -0.70 117.98 119.79 2bis s PHE 433 Ca 0.34 -0.39 -0.00 0.00 0.12 0.00 0.00 56.93 57.00 2bis s PHE 433 Cb -0.17 -1.17 0.46 0.00 -0.57 0.00 0.00 43.02 41.57 2bis s PHE 433 CO 0.15 0.33 1.87 -0.44 -0.10 0.00 0.00 175.22 177.03 2bis h ASP 434 N 3.81 0.75 -0.33 1.36 3.32 -1.94 -2.62 116.42 120.77 2bis h ASP 434 Ca -0.49 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 56.45 2bis h ASP 434 Cb 1.18 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 40.53 2bis h ASP 434 CO 0.41 0.70 0.00 2.22 -1.72 0.00 0.00 179.24 180.85 2bis n PHE 435 N -4.31 0.67 -3.91 4.55 1.16 -1.26 -4.77 117.46 109.60 2bis n PHE 435 Ca 0.04 -0.28 -0.35 0.00 -1.87 0.00 0.00 57.45 54.99 2bis n PHE 435 Cb 0.19 -0.11 -0.14 0.00 -1.61 0.00 0.00 39.48 37.81 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 -1.64 3.25 -2.49 1.97 1.09 -0.99 -5.29 121.20 117.10 2bis s ILE 436 Ca 0.25 -0.72 0.28 0.00 -1.10 0.00 0.00 60.65 59.36 2bis s ILE 436 Cb 0.15 -2.57 0.56 0.00 -1.06 0.00 0.00 42.46 39.54 2bis s ILE 436 CO 0.13 0.30 1.75 0.18 -0.10 0.00 0.00 174.94 177.20