#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bis n SER -1 N 0.00 3.20 -4.77 1.61 2.88 -1.26 -5.04 113.62 110.24 2bis n SER -1 Ca 0.00 -0.05 -0.38 0.00 -1.33 0.00 0.00 58.87 57.11 2bis n SER -1 Cb 0.00 -0.12 -0.02 0.00 -0.75 0.00 0.00 64.21 63.32 2bis n SER -1 CO 0.00 0.00 0.00 -2.28 -1.23 0.00 0.00 175.04 171.53 2bis s HIS 0 N -2.20 3.04 0.16 0.66 5.04 -1.26 -5.05 115.29 115.68 2bis s HIS 0 Ca -0.13 1.55 -0.06 0.00 -1.54 0.00 0.00 55.06 54.88 2bis s HIS 0 Cb 0.03 -3.38 -0.02 0.00 0.04 0.00 0.00 32.58 29.26 2bis s HIS 0 CO 0.24 -1.32 0.21 0.00 -2.34 0.00 0.00 174.74 171.53 2bis s MET 1 N -2.38 1.11 -0.32 2.88 0.00 -1.26 -5.05 119.30 114.27 2bis s MET 1 Ca 0.58 -1.31 -0.04 0.00 0.00 0.00 0.00 55.69 54.92 2bis s MET 1 Cb -0.30 0.33 0.04 0.00 0.00 0.00 0.00 34.83 34.91 2bis s MET 1 CO 0.37 -0.38 0.06 0.21 0.00 0.00 0.00 175.02 175.28 2bis s LYS 2 N -4.02 2.53 -0.19 3.16 2.20 -1.26 -1.65 119.74 120.51 2bis s LYS 2 Ca 0.22 -1.22 -0.06 0.00 -0.36 0.00 0.00 55.97 54.55 2bis s LYS 2 Cb 0.05 -3.33 -0.03 0.00 -1.51 0.00 0.00 37.83 33.01 2bis s LYS 2 CO 0.02 -0.65 0.02 0.08 -0.36 0.00 0.00 175.35 174.47 2bis s VAL 3 N 1.33 4.25 -0.27 4.02 1.01 0.12 -0.62 120.40 130.24 2bis s VAL 3 Ca -0.03 -0.22 -0.10 0.00 0.00 0.00 0.00 61.98 61.63 2bis s VAL 3 Cb -0.20 -2.92 -0.04 0.00 0.00 0.00 0.00 36.38 33.22 2bis s VAL 3 CO 0.01 0.44 0.15 -0.22 0.00 0.00 0.00 175.10 175.47 2bis s LEU 4 N 0.76 3.81 -0.14 3.92 2.96 -0.64 -0.88 118.68 128.47 2bis s LEU 4 Ca 0.01 -0.08 -0.00 0.00 -0.22 0.00 0.00 54.13 53.84 2bis s LEU 4 Cb -0.14 -2.05 -0.01 0.00 0.50 0.00 0.00 46.19 44.49 2bis s LEU 4 CO 0.02 -0.04 -0.13 -0.22 -1.32 0.00 0.00 176.35 174.66 2bis s LEU 5 N 1.69 2.65 -0.17 -0.68 0.20 0.21 0.79 118.68 123.38 2bis s LEU 5 Ca 0.07 -0.38 -0.01 0.00 0.69 0.00 0.00 54.13 54.50 2bis s LEU 5 Cb -0.16 -1.60 -0.00 0.00 -0.43 0.00 0.00 46.19 43.99 2bis s LEU 5 CO 0.08 0.13 -0.11 -0.76 -0.29 0.00 0.00 176.35 175.39 2bis s LEU 6 N 0.58 2.65 0.00 -0.68 1.43 -0.34 -1.68 118.68 120.65 2bis s LEU 6 Ca -0.08 -0.42 -0.01 0.00 -1.03 0.00 0.00 54.13 52.59 2bis s LEU 6 Cb -0.16 -1.63 -0.01 0.00 0.03 0.00 0.00 46.19 44.43 2bis s LEU 6 CO 0.03 0.06 0.01 -0.83 0.23 0.00 0.00 176.35 175.86 2bis s GLY 7 N 0.97 0.08 0.27 -3.19 0.00 -0.99 -1.75 107.32 102.70 2bis s GLY 7 Ca -0.02 -0.18 0.23 0.00 0.00 0.00 0.00 44.72 44.76 2bis s GLY 7 CO -0.01 -0.21 1.24 -2.75 0.00 0.00 0.00 173.10 171.36 2bis h PHE 8 N 5.48 0.00 -3.96 1.90 3.57 -1.86 -3.37 116.94 118.69 2bis h PHE 8 Ca -0.27 0.00 -0.33 0.00 3.53 0.00 0.00 57.97 60.89 2bis h PHE 8 Cb 1.21 0.00 -0.21 0.00 2.79 0.00 0.00 35.95 39.73 2bis h PHE 8 CO 0.51 0.00 -0.75 -1.83 -2.23 0.00 0.00 178.31 174.01 2bis s GLU 9 N -3.30 0.65 -0.24 1.11 -1.05 -1.26 -4.51 118.70 110.09 2bis s GLU 9 Ca 0.02 -0.83 -0.21 0.00 -0.15 0.00 0.00 54.97 53.80 2bis s GLU 9 Cb 0.08 -0.52 0.07 0.00 -0.44 0.00 0.00 34.13 33.32 2bis s GLU 9 CO 0.75 0.11 0.64 0.12 0.95 0.00 0.00 175.26 177.83 2bis s PHE 10 N -1.32 -0.76 0.21 4.83 5.36 -1.24 -4.19 117.98 120.88 2bis s PHE 10 Ca -0.06 1.77 -0.32 0.00 -0.96 0.00 0.00 56.93 57.36 2bis s PHE 10 Cb -0.10 0.30 -0.15 0.00 -0.34 0.00 0.00 43.02 42.74 2bis s PHE 10 CO 0.01 -0.37 1.22 1.28 -1.46 0.00 0.00 175.22 175.90 2bis n LEU 11 N 3.04 2.10 -1.17 6.12 4.32 -1.24 -0.44 117.00 129.73 2bis n LEU 11 Ca -0.15 1.15 0.05 0.00 -0.02 0.00 0.00 56.01 57.03 2bis n LEU 11 Cb 0.56 -1.30 0.22 0.00 -1.62 0.00 0.00 43.42 41.28 2bis n LEU 11 CO 0.04 -1.05 0.61 -0.81 -1.22 0.00 0.00 177.39 174.97 2bis n PRO 12 N 1.67 2.91 -3.10 3.23 -0.04 -1.26 -5.06 135.00 133.35 2bis n PRO 12 Ca 0.13 -1.71 -0.45 0.00 -0.04 0.00 0.00 63.50 61.43 2bis n PRO 12 Cb 0.28 -1.79 -0.03 0.00 -0.04 0.00 0.00 33.50 31.91 2bis n PRO 12 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2bis s VAL 13 N -1.86 4.98 -0.05 0.52 1.01 0.42 -5.03 120.40 120.38 2bis s VAL 13 Ca 0.30 -1.52 -0.17 0.00 0.00 0.00 0.00 61.98 60.59 2bis s VAL 13 Cb 0.21 -4.58 -0.05 0.00 0.00 0.00 0.00 36.38 31.97 2bis s VAL 13 CO 0.11 -1.22 0.46 -0.54 0.00 0.00 0.00 175.10 173.91 2bis s LYS 14 N 2.08 4.17 0.00 2.72 1.02 -1.26 -3.64 119.74 124.84 2bis s LYS 14 Ca 0.20 0.46 0.00 0.00 0.02 0.00 0.00 55.97 56.64 2bis s LYS 14 Cb -0.15 -3.34 0.00 0.00 -0.52 0.00 0.00 37.83 33.83 2bis s LYS 14 CO -0.02 0.41 0.00 0.28 -0.92 0.00 0.00 175.35 175.10 2bis n VAL 15 N 2.78 0.00 -0.36 3.17 0.31 -1.26 -5.09 118.33 117.88 2bis n VAL 15 Ca -0.10 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.23 2bis n VAL 15 Cb 0.52 -0.47 0.00 0.00 -0.91 0.00 0.00 33.84 32.98 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 2.80 1.37 0.83 2.92 0.00 -1.26 -4.98 105.19 106.87 2bis n GLY 16 Ca 0.00 -1.65 0.11 0.00 0.00 0.00 0.00 46.02 44.49 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 0.93 0.24 -0.02 0.00 -1.26 -4.57 105.19 105.52 2bis n GLY 17 Ca 0.00 -0.57 -0.10 0.00 0.00 0.00 0.00 46.02 45.35 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 3.31 0.79 -0.79 0.99 5.85 -1.95 -2.33 115.31 121.18 2bis h LEU 18 Ca 0.00 -0.29 0.13 0.00 0.84 0.00 0.00 57.88 58.56 2bis h LEU 18 Cb 0.73 -0.21 -0.09 0.00 0.37 0.00 0.00 40.66 41.45 2bis h LEU 18 CO 0.00 0.89 0.38 0.00 -0.34 0.00 0.00 178.44 179.37 2bis h ALA 19 N 0.93 1.15 -0.34 1.25 0.00 -1.81 0.16 119.26 120.60 2bis h ALA 19 Ca 0.14 0.09 -0.08 0.00 0.00 0.00 0.00 54.91 55.05 2bis h ALA 19 Cb 0.47 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 2bis h ALA 19 CO 0.02 -0.11 -0.11 1.49 0.00 0.00 0.00 179.25 180.54 2bis h GLU 20 N 0.57 0.68 -0.11 0.00 4.81 -1.80 -1.83 114.58 116.89 2bis h GLU 20 Ca 0.42 -0.27 -0.12 0.00 -0.13 0.00 0.00 59.36 59.26 2bis h GLU 20 Cb 0.58 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.92 2bis h GLU 20 CO -0.35 0.86 -0.48 0.00 -0.73 0.00 0.00 179.01 178.31 2bis h ALA 21 N 0.80 0.99 -0.28 2.92 0.00 -0.98 -1.86 119.26 120.85 2bis h ALA 21 Ca 0.08 -0.46 -0.14 0.00 0.00 0.00 0.00 54.91 54.39 2bis h ALA 21 Cb 0.63 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 2bis h ALA 21 CO 0.04 0.64 -0.41 -0.07 0.00 0.00 0.00 179.25 179.45 2bis h LEU 22 N 0.22 0.72 -0.92 0.00 3.38 -0.60 -2.73 115.31 115.37 2bis h LEU 22 Ca 0.01 -0.33 -0.08 0.00 0.09 0.00 0.00 57.88 57.57 2bis h LEU 22 Cb 0.93 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.46 2bis h LEU 22 CO 0.08 1.04 -0.11 0.74 0.09 0.00 0.00 178.44 180.28 2bis h THR 23 N 0.55 1.25 -0.29 0.22 2.02 -1.14 -1.32 112.91 114.20 2bis h THR 23 Ca 0.04 -1.10 -0.01 0.00 0.77 0.00 0.00 66.41 66.11 2bis h THR 23 Cb 0.94 1.07 -0.01 0.00 -1.74 0.00 0.00 68.15 68.41 2bis h THR 23 CO 0.09 0.37 0.14 0.00 0.37 0.00 0.00 175.52 176.48 2bis h ALA 24 N 1.27 0.37 -0.45 6.16 0.00 -1.31 -1.29 119.26 124.01 2bis h ALA 24 Ca 0.11 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 2bis h ALA 24 Cb 0.54 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 2bis h ALA 24 CO 0.03 -0.07 0.07 0.82 0.00 0.00 0.00 179.25 180.11 2bis h ILE 25 N 0.33 1.25 -0.50 0.00 2.04 -1.35 0.12 117.51 119.40 2bis h ILE 25 Ca 0.10 -0.90 -0.01 0.00 1.00 0.00 0.00 64.86 65.05 2bis h ILE 25 Cb 0.12 0.95 -0.02 0.00 -0.74 0.00 0.00 36.82 37.13 2bis h ILE 25 CO -0.01 0.32 0.29 0.28 0.00 0.00 0.00 178.15 179.02 2bis h SER 26 N 0.62 0.61 -0.09 1.72 0.02 -1.07 0.76 113.55 116.12 2bis h SER 26 Ca 0.14 -0.07 -0.17 0.00 -0.84 0.00 0.00 61.79 60.84 2bis h SER 26 Cb 0.38 -0.16 0.01 0.00 0.14 0.00 0.00 62.40 62.78 2bis h SER 26 CO 0.01 0.51 -0.61 -0.33 -1.14 0.00 0.00 176.83 175.27 2bis h GLU 27 N 0.67 0.58 -0.58 3.45 5.08 -1.14 -1.37 114.58 121.27 2bis h GLU 27 Ca 0.18 -0.50 0.09 0.00 -1.00 0.00 0.00 59.36 58.13 2bis h GLU 27 Cb 0.02 0.11 -0.07 0.00 0.50 0.00 0.00 28.75 29.31 2bis h GLU 27 CO -0.03 1.12 0.18 0.00 -1.00 0.00 0.00 179.01 179.28 2bis h ALA 28 N 0.46 0.71 -0.51 3.43 0.00 -0.55 -0.31 119.26 122.49 2bis h ALA 28 Ca -0.05 0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 2bis h ALA 28 Cb 1.26 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.12 2bis h ALA 28 CO 0.12 -0.24 0.14 -0.07 0.00 0.00 0.00 179.25 179.21 2bis h LEU 29 N 0.34 0.71 -0.33 0.00 4.07 -0.70 -2.62 115.31 116.77 2bis h LEU 29 Ca 0.29 -0.11 -0.19 0.00 0.08 0.00 0.00 57.88 57.95 2bis h LEU 29 Cb 0.38 -0.18 0.00 0.00 1.08 0.00 0.00 40.66 41.94 2bis h LEU 29 CO -0.32 0.69 -0.61 0.00 -1.08 0.00 0.00 178.44 177.11 2bis h ALA 30 N 1.41 0.50 0.00 1.53 0.00 -0.20 -2.96 119.26 119.54 2bis h ALA 30 Ca 0.17 -0.54 -0.02 0.00 0.00 0.00 0.00 54.91 54.52 2bis h ALA 30 Cb 0.25 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 2bis h ALA 30 CO -0.01 0.69 -0.09 0.77 0.00 0.00 0.00 179.25 180.61 2bis h SER 31 N 0.55 0.00 0.62 0.00 0.02 -0.84 -0.97 113.55 112.93 2bis h SER 31 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2bis h SER 31 Cb 1.20 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.74 2bis h SER 31 CO 0.13 0.09 0.00 0.18 -1.14 0.00 0.00 176.83 176.09 2bis n LEU 32 N -4.05 0.00 0.00 5.07 4.77 -1.01 -4.88 117.00 116.89 2bis n LEU 32 Ca -0.03 0.36 0.00 0.00 -0.03 0.00 0.00 56.01 56.32 2bis n LEU 32 Cb 0.18 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 40.90 2bis n LEU 32 CO 0.32 -0.05 0.00 0.61 -1.33 0.00 0.00 177.39 176.94 2bis n GLY 33 N 0.95 0.65 3.81 -0.72 0.00 -0.37 -5.04 105.19 104.47 2bis n GLY 33 Ca 0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 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 3.13 -0.31 1.61 3.76 -1.13 -4.77 115.29 115.58 2bis s HIS 34 Ca 0.00 1.54 -0.16 0.00 -0.15 0.00 0.00 55.06 56.28 2bis s HIS 34 Cb 0.00 -2.96 -0.02 0.00 1.11 0.00 0.00 32.58 30.71 2bis s HIS 34 CO 0.00 -0.74 0.44 -2.00 -0.85 0.00 0.00 174.74 171.59 2bis s GLU 35 N -3.67 3.83 -0.20 1.40 2.12 -0.66 -4.30 118.70 117.22 2bis s GLU 35 Ca 0.64 -0.05 0.00 0.00 0.36 0.00 0.00 54.97 55.91 2bis s GLU 35 Cb -0.14 -3.73 0.02 0.00 0.26 0.00 0.00 34.13 30.54 2bis s GLU 35 CO 0.27 -0.44 -0.15 0.08 -0.54 0.00 0.00 175.26 174.47 2bis s VAL 36 N 2.20 2.37 -0.18 3.70 1.01 -0.92 -0.70 120.40 127.87 2bis s VAL 36 Ca 0.17 -0.91 -0.08 0.00 0.00 0.00 0.00 61.98 61.16 2bis s VAL 36 Cb -0.16 -2.06 -0.04 0.00 0.00 0.00 0.00 36.38 34.12 2bis s VAL 36 CO 0.11 0.45 0.07 -0.76 0.00 0.00 0.00 175.10 174.97 2bis s LEU 37 N 1.31 3.86 -0.16 3.92 1.43 -0.06 0.38 118.68 129.37 2bis s LEU 37 Ca 0.04 0.10 -0.04 0.00 -1.03 0.00 0.00 54.13 53.20 2bis s LEU 37 Cb -0.14 -1.98 -0.03 0.00 0.03 0.00 0.00 46.19 44.07 2bis s LEU 37 CO -0.10 0.18 -0.03 -0.69 0.23 0.00 0.00 176.35 175.94 2bis s VAL 38 N 0.34 3.98 -0.12 -1.59 1.01 0.55 -0.62 120.40 123.96 2bis s VAL 38 Ca 0.04 -0.33 -0.01 0.00 0.00 0.00 0.00 61.98 61.68 2bis s VAL 38 Cb -0.12 -2.75 -0.02 0.00 0.00 0.00 0.00 36.38 33.49 2bis s VAL 38 CO -0.00 0.49 -0.08 -0.36 0.00 0.00 0.00 175.10 175.15 2bis s PHE 39 N 0.34 2.92 -0.01 5.22 0.40 -0.67 0.17 117.98 126.34 2bis s PHE 39 Ca -0.03 -0.31 -0.30 0.00 -0.60 0.00 0.00 56.93 55.69 2bis s PHE 39 Cb -0.14 -1.84 0.07 0.00 0.51 0.00 0.00 43.02 41.62 2bis s PHE 39 CO 0.03 0.02 0.66 -0.08 0.70 0.00 0.00 175.22 176.55 2bis s THR 40 N 0.00 0.00 0.63 0.64 -1.32 -0.97 -2.36 115.64 112.27 2bis s THR 40 Ca -0.01 -0.00 -0.16 0.00 -1.21 0.00 0.00 61.69 60.31 2bis s THR 40 Cb -0.14 -1.00 -0.02 0.00 -1.51 0.00 0.00 72.50 69.84 2bis s THR 40 CO 0.03 -0.00 1.10 -2.84 -2.21 0.00 0.00 174.62 170.70 2bis s PRO 41 N -1.63 3.01 0.21 7.08 0.02 -1.26 -0.40 135.00 142.02 2bis s PRO 41 Ca -0.09 1.38 -0.08 0.00 0.02 0.00 0.00 61.00 62.22 2bis s PRO 41 Cb -0.00 -1.98 0.16 0.00 0.02 0.00 0.00 34.50 32.69 2bis s PRO 41 CO 0.06 -1.09 1.79 1.03 -0.33 0.00 0.00 177.00 178.47 2bis h SER 42 N 0.30 1.04 -5.94 2.53 0.87 -0.54 -3.41 113.55 108.40 2bis h SER 42 Ca -0.47 -0.15 -0.45 0.00 -1.23 0.00 0.00 61.79 59.49 2bis h SER 42 Cb 1.24 -0.27 -0.05 0.00 -0.44 0.00 0.00 62.40 62.88 2bis h SER 42 CO 0.55 0.90 -0.70 1.41 -0.53 0.00 0.00 176.83 178.46 2bis n HIS 43 N -4.34 -2.11 -1.49 2.24 8.25 -0.43 -2.22 115.22 115.12 2bis n HIS 43 Ca 0.07 0.75 -0.17 0.00 -0.26 0.00 0.00 57.72 58.11 2bis n HIS 43 Cb 0.15 -3.70 -0.07 0.00 1.12 0.00 0.00 29.99 27.49 2bis n HIS 43 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2bis n GLY 44 N -1.53 1.62 0.01 -1.41 0.00 -1.04 -3.93 105.19 98.92 2bis n GLY 44 Ca 0.02 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.15 2bis n GLY 44 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bis n ARG 45 N -1.86 0.07 -4.04 1.61 5.12 -0.94 -4.91 116.66 111.69 2bis n ARG 45 Ca -0.17 0.01 -0.11 0.00 -1.93 0.00 0.00 57.85 55.65 2bis n ARG 45 Cb 0.62 -1.53 -0.11 0.00 -1.16 0.00 0.00 32.46 30.28 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 -3.04 0.53 -0.16 -1.55 0.40 -1.26 -5.14 117.98 107.75 2bis s PHE 46 Ca 0.09 -0.57 0.02 0.00 -0.60 0.00 0.00 56.93 55.87 2bis s PHE 46 Cb 0.17 -0.33 0.02 0.00 0.51 0.00 0.00 43.02 43.38 2bis s PHE 46 CO 0.74 -0.14 -0.21 -0.65 0.70 0.00 0.00 175.22 175.66 2bis s GLN 47 N -1.83 3.01 0.41 0.44 -1.52 -1.26 -4.89 119.66 114.02 2bis s GLN 47 Ca -0.10 -0.84 0.08 0.00 -1.95 0.00 0.00 55.36 52.55 2bis s GLN 47 Cb -0.08 -2.51 -0.03 0.00 -0.22 0.00 0.00 33.01 30.16 2bis s GLN 47 CO -0.01 -0.12 0.29 0.20 -0.25 0.00 0.00 175.29 175.40 2bis s GLY 48 N 1.07 2.20 0.18 3.09 0.00 -1.26 -4.84 107.32 107.75 2bis s GLY 48 Ca -0.01 -1.96 -0.31 0.00 0.00 0.00 0.00 44.72 42.44 2bis s GLY 48 CO -0.08 -1.78 1.40 -0.54 0.00 0.00 0.00 173.10 172.10 2bis s GLU 49 N -4.03 4.32 -0.13 2.90 2.02 -1.14 -4.58 118.70 118.05 2bis s GLU 49 Ca 0.45 2.15 -0.38 0.00 0.02 0.00 0.00 54.97 57.20 2bis s GLU 49 Cb -0.01 -3.19 -0.16 0.00 0.10 0.00 0.00 34.13 30.88 2bis s GLU 49 CO 0.26 -0.40 1.62 0.39 0.02 0.00 0.00 175.26 177.15 2bis n GLU 50 N 3.20 1.25 0.00 1.61 4.71 -1.26 -1.53 120.64 128.62 2bis n GLU 50 Ca 0.09 0.46 0.00 0.00 -0.01 0.00 0.00 57.16 57.70 2bis n GLU 50 Cb 0.42 -2.14 -0.00 0.00 -1.01 0.00 0.00 31.44 28.70 2bis n GLU 50 CO 0.00 0.00 0.00 0.44 0.09 0.00 0.00 177.13 177.66 2bis n ILE 51 N 3.92 0.00 0.00 -3.67 -5.35 -0.00 -4.95 119.36 109.30 2bis n ILE 51 Ca 0.23 -0.49 0.00 0.00 -0.27 0.00 0.00 62.75 62.22 2bis n ILE 51 Cb 0.16 1.00 0.00 0.00 -1.74 0.00 0.00 39.64 39.07 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 0.83 2.32 3.50 3.28 0.00 -1.24 -5.01 105.19 108.86 2bis n GLY 52 Ca 0.00 -1.05 -0.33 0.00 0.00 0.00 0.00 46.02 44.64 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 2.75 0.28 1.61 1.02 -1.26 -0.37 119.74 121.77 2bis s LYS 53 Ca 0.00 -0.64 0.09 0.00 0.02 0.00 0.00 55.97 55.44 2bis s LYS 53 Cb 0.00 -2.50 -0.04 0.00 -0.52 0.00 0.00 37.83 34.76 2bis s LYS 53 CO 0.00 0.56 0.02 0.96 -0.92 0.00 0.00 175.35 175.97 2bis s ILE 54 N -0.56 3.32 -0.19 2.17 -4.36 0.03 -4.92 121.20 116.69 2bis s ILE 54 Ca 0.08 -1.89 -0.14 0.00 -0.26 0.00 0.00 60.65 58.44 2bis s ILE 54 Cb -0.12 -2.86 -0.04 0.00 1.25 0.00 0.00 42.46 40.69 2bis s ILE 54 CO 0.02 -0.34 0.32 -0.13 0.24 0.00 0.00 174.94 175.05 2bis s ARG 55 N -3.70 4.19 -0.03 0.37 0.52 -1.26 -0.33 118.95 118.71 2bis s ARG 55 Ca 0.33 0.08 0.02 0.00 -0.52 0.00 0.00 55.73 55.63 2bis s ARG 55 Cb -0.05 -3.49 0.01 0.00 0.52 0.00 0.00 34.95 31.93 2bis s ARG 55 CO 0.20 0.09 -0.08 0.08 0.02 0.00 0.00 175.30 175.61 2bis s VAL 56 N 0.94 0.72 -1.45 3.52 1.01 -0.54 -4.90 120.40 119.70 2bis s VAL 56 Ca 0.16 -0.29 -0.10 0.00 0.00 0.00 0.00 61.98 61.75 2bis s VAL 56 Cb -0.14 -0.67 0.04 0.00 0.00 0.00 0.00 36.38 35.61 2bis s VAL 56 CO 0.06 0.24 0.97 0.49 0.00 0.00 0.00 175.10 176.86 2bis n PHE 57 N 3.54 -2.48 0.00 5.22 3.01 -1.26 -2.20 117.46 123.29 2bis n PHE 57 Ca -0.21 0.86 0.00 0.00 1.01 0.00 0.00 57.45 59.11 2bis n PHE 57 Cb 0.53 -4.49 0.00 0.00 -0.01 0.00 0.00 39.48 35.52 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 -1.77 3.04 3.52 1.37 0.00 -1.26 -5.05 105.19 105.03 2bis n GLY 58 Ca -0.00 -0.53 -0.24 0.00 0.00 0.00 0.00 46.02 45.25 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 0.00 1.84 0.10 1.61 1.03 -0.94 -5.06 118.70 117.28 2bis s GLU 59 Ca 0.00 -1.69 -0.35 0.00 0.03 0.00 0.00 54.97 52.97 2bis s GLU 59 Cb 0.00 -1.87 -0.18 0.00 -0.80 0.00 0.00 34.13 31.28 2bis s GLU 59 CO 0.00 0.33 0.87 0.39 -1.33 0.00 0.00 175.26 175.52 2bis n GLU 60 N -0.70 0.14 -4.05 -4.83 4.71 -1.26 -1.47 120.64 113.19 2bis n GLU 60 Ca -0.05 0.05 -0.19 0.00 -0.01 0.00 0.00 57.16 56.96 2bis n GLU 60 Cb 0.60 -1.36 -0.16 0.00 -1.01 0.00 0.00 31.44 29.50 2bis n GLU 60 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 2bis s VAL 61 N -0.40 0.38 -0.40 2.62 1.01 0.56 -4.85 120.40 119.31 2bis s VAL 61 Ca 0.79 -0.02 -0.19 0.00 0.00 0.00 0.00 61.98 62.55 2bis s VAL 61 Cb -1.09 -0.44 0.01 0.00 0.00 0.00 0.00 36.38 34.86 2bis s VAL 61 CO 0.56 0.19 0.53 -1.58 0.00 0.00 0.00 175.10 174.81 2bis s GLN 62 N 1.01 3.33 -0.01 2.72 2.00 -1.26 -0.79 119.66 126.66 2bis s GLN 62 Ca -0.10 -0.43 -0.25 0.00 -2.00 0.00 0.00 55.36 52.58 2bis s GLN 62 Cb -0.14 -3.91 -0.04 0.00 0.80 0.00 0.00 33.01 29.72 2bis s GLN 62 CO -0.01 -0.84 0.77 0.08 -0.50 0.00 0.00 175.29 174.79 2bis s VAL 63 N 2.46 4.89 0.05 1.34 1.01 0.50 -4.33 120.40 126.33 2bis s VAL 63 Ca 0.18 1.62 0.09 0.00 0.00 0.00 0.00 61.98 63.86 2bis s VAL 63 Cb -0.15 -4.11 -0.03 0.00 0.00 0.00 0.00 36.38 32.08 2bis s VAL 63 CO 0.15 0.28 -0.25 -0.54 0.00 0.00 0.00 175.10 174.75 2bis s LYS 64 N 0.49 1.83 -0.03 2.72 1.02 -0.71 -0.82 119.74 124.23 2bis s LYS 64 Ca 0.40 -1.10 0.03 0.00 0.02 0.00 0.00 55.97 55.32 2bis s LYS 64 Cb -0.19 -2.01 0.00 0.00 -0.52 0.00 0.00 37.83 35.11 2bis s LYS 64 CO 0.22 0.51 -0.12 0.08 -0.92 0.00 0.00 175.35 175.12 2bis s VAL 65 N -0.84 1.00 -0.18 3.17 1.01 -0.58 0.90 120.40 124.88 2bis s VAL 65 Ca 0.12 -0.48 -0.03 0.00 0.00 0.00 0.00 61.98 61.59 2bis s VAL 65 Cb -0.10 -0.87 -0.02 0.00 0.00 0.00 0.00 36.38 35.39 2bis s VAL 65 CO 0.03 0.30 -0.05 -0.44 0.00 0.00 0.00 175.10 174.94 2bis s SER 66 N 0.15 4.51 -0.07 3.32 0.01 0.13 -2.89 113.70 118.86 2bis s SER 66 Ca -0.03 -0.25 -0.02 0.00 1.31 0.00 0.00 55.95 56.95 2bis s SER 66 Cb -0.10 -1.74 -0.04 0.00 0.21 0.00 0.00 66.02 64.36 2bis s SER 66 CO 0.01 0.10 0.04 -0.47 0.41 0.00 0.00 173.24 173.33 2bis s TYR 67 N 0.77 3.26 -0.05 2.43 5.04 -1.26 -0.33 117.35 127.21 2bis s TYR 67 Ca -0.02 0.25 -0.04 0.00 -2.44 0.00 0.00 57.07 54.82 2bis s TYR 67 Cb -0.15 -1.80 0.02 0.00 0.35 0.00 0.00 41.96 40.38 2bis s TYR 67 CO 0.02 0.53 0.13 -2.00 -1.34 0.00 0.00 175.55 172.89 2bis s GLU 68 N -1.12 0.14 -0.04 4.97 2.12 0.20 -4.98 118.70 119.99 2bis s GLU 68 Ca 0.16 0.22 0.02 0.00 0.36 0.00 0.00 54.97 55.73 2bis s GLU 68 Cb -0.12 0.02 0.01 0.00 0.26 0.00 0.00 34.13 34.30 2bis s GLU 68 CO 0.05 -0.05 -0.09 -2.00 -0.54 0.00 0.00 175.26 172.63 2bis s GLU 69 N 0.32 1.15 -0.28 4.30 2.12 -1.26 0.56 118.70 125.61 2bis s GLU 69 Ca -0.02 -0.29 0.00 0.00 0.36 0.00 0.00 54.97 55.02 2bis s GLU 69 Cb -0.03 -1.04 0.15 0.00 0.26 0.00 0.00 34.13 33.47 2bis s GLU 69 CO -0.01 0.04 0.38 -0.98 -0.54 0.00 0.00 175.26 174.15 2bis s ARG 70 N 0.50 0.38 3.85 4.30 1.70 -0.87 -5.04 118.95 123.76 2bis s ARG 70 Ca -0.09 0.20 0.00 0.00 -0.47 0.00 0.00 55.73 55.38 2bis s ARG 70 Cb -0.12 -0.42 0.00 0.00 -0.57 0.00 0.00 34.95 33.84 2bis s ARG 70 CO 0.01 -0.92 0.00 0.41 -1.08 0.00 0.00 175.30 173.72 2bis n GLY 71 N 5.35 0.29 0.00 3.88 0.00 -1.26 -2.95 105.19 110.50 2bis n GLY 71 Ca -0.01 -0.97 0.11 0.00 0.00 0.00 0.00 46.02 45.15 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 3.69 0.00 -4.59 1.61 3.02 -1.26 -4.76 115.26 112.97 2bis n ASN 72 Ca 0.00 0.29 -0.42 0.00 -0.03 0.00 0.00 54.58 54.42 2bis n ASN 72 Cb 0.00 -0.42 -0.06 0.00 -0.61 0.00 0.00 39.78 38.69 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 -2.83 4.18 -0.22 3.41 2.96 -1.15 -2.16 118.68 122.86 2bis s LEU 73 Ca 0.15 0.32 -0.06 0.00 -0.22 0.00 0.00 54.13 54.33 2bis s LEU 73 Cb 0.15 -2.88 -0.02 0.00 0.50 0.00 0.00 46.19 43.94 2bis s LEU 73 CO 0.38 -0.59 0.02 0.00 -1.32 0.00 0.00 176.35 174.83 2bis s ARG 74 N 2.79 3.58 -0.21 1.98 1.70 0.16 -2.05 118.95 126.90 2bis s ARG 74 Ca 0.27 -0.53 -0.04 0.00 -0.47 0.00 0.00 55.73 54.96 2bis s ARG 74 Cb -0.14 -3.15 -0.02 0.00 -0.57 0.00 0.00 34.95 31.07 2bis s ARG 74 CO 0.14 -0.10 -0.02 0.42 -1.08 0.00 0.00 175.30 174.66 2bis s ILE 75 N 1.31 3.66 -0.26 4.99 1.01 0.19 -0.33 121.20 131.77 2bis s ILE 75 Ca 0.04 -0.40 -0.03 0.00 0.00 0.00 0.00 60.65 60.26 2bis s ILE 75 Cb -0.15 -2.66 0.02 0.00 0.01 0.00 0.00 42.46 39.69 2bis s ILE 75 CO 0.01 0.42 -0.02 -0.31 0.00 0.00 0.00 174.94 175.05 2bis s TYR 76 N 1.26 3.10 -0.35 3.97 1.51 0.13 -0.63 117.35 126.34 2bis s TYR 76 Ca 0.03 -1.42 -0.16 0.00 -1.01 0.00 0.00 57.07 54.52 2bis s TYR 76 Cb -0.14 -2.11 -0.01 0.00 -0.11 0.00 0.00 41.96 39.58 2bis s TYR 76 CO -0.00 -0.69 0.40 1.03 -1.11 0.00 0.00 175.55 175.18 2bis s ARG 77 N 1.37 3.54 -0.40 -0.62 0.52 0.56 -2.28 118.95 121.64 2bis s ARG 77 Ca 0.00 -0.38 -0.15 0.00 -0.52 0.00 0.00 55.73 54.68 2bis s ARG 77 Cb -0.17 -3.82 0.01 0.00 0.52 0.00 0.00 34.95 31.50 2bis s ARG 77 CO -0.02 -0.57 0.32 0.42 0.02 0.00 0.00 175.30 175.46 2bis s ILE 78 N 2.10 5.23 0.56 1.52 1.01 0.46 0.20 121.20 132.29 2bis s ILE 78 Ca 0.13 -0.48 0.09 0.00 0.00 0.00 0.00 60.65 60.38 2bis s ILE 78 Cb -0.16 -3.90 0.08 0.00 0.01 0.00 0.00 42.46 38.48 2bis s ILE 78 CO 0.12 -0.26 0.77 -0.83 0.00 0.00 0.00 174.94 174.74 2bis s GLY 79 N 1.71 1.77 0.00 6.18 0.00 0.26 0.03 107.32 117.27 2bis s GLY 79 Ca 0.07 -2.03 0.00 0.00 0.00 0.00 0.00 44.72 42.75 2bis s GLY 79 CO 0.11 -1.61 0.00 0.61 0.00 0.00 0.00 173.10 172.21 2bis n GLY 80 N -2.23 -1.55 0.00 0.20 0.00 -1.26 -1.74 105.19 98.61 2bis n GLY 80 Ca 0.14 0.60 0.00 0.00 0.00 0.00 0.00 46.02 46.76 2bis n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bis n GLY 81 N 0.00 0.89 0.31 -0.02 0.00 -1.26 -4.61 105.19 100.49 2bis n GLY 81 Ca 0.00 -0.02 0.20 0.00 0.00 0.00 0.00 46.02 46.20 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 -2.66 0.99 3.38 -1.95 -2.58 115.31 112.50 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 0.01 0.01 -0.07 0.09 0.00 0.00 178.44 178.47 2bis h LEU 83 N 0.00 0.00 -0.04 1.67 3.38 -1.88 -1.79 115.31 116.65 2bis h LEU 83 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2bis h LEU 83 Cb 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 2bis h LEU 83 CO 0.00 0.00 -0.19 0.47 0.09 0.00 0.00 178.44 178.81 2bis n ASP 84 N -2.91 0.26 -4.71 -0.43 8.00 -0.97 -1.31 116.55 114.48 2bis n ASP 84 Ca -0.03 0.03 -0.42 0.00 0.71 0.00 0.00 54.79 55.08 2bis n ASP 84 Cb 0.07 -0.16 -0.03 0.00 -0.02 0.00 0.00 41.12 40.98 2bis n ASP 84 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2bis s SER 85 N -2.89 6.48 0.33 -2.24 0.15 -0.67 -2.50 113.70 112.36 2bis s SER 85 Ca 0.16 2.72 0.16 0.00 0.70 0.00 0.00 55.95 59.69 2bis s SER 85 Cb 0.19 -2.59 0.53 0.00 -1.71 0.00 0.00 66.02 62.44 2bis s SER 85 CO 0.58 -0.92 1.67 -0.33 1.20 0.00 0.00 173.24 175.43 2bis h GLU 86 N 7.36 0.00 -6.38 5.44 5.08 -1.91 -3.36 114.58 120.81 2bis h GLU 86 Ca -0.43 0.00 -0.57 0.00 -1.00 0.00 0.00 59.36 57.36 2bis h GLU 86 Cb 1.21 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.41 2bis h GLU 86 CO 0.94 0.47 1.06 0.34 -1.00 0.00 0.00 179.01 180.82 2bis s ASP 87 N -6.58 6.45 0.01 1.42 3.68 -1.26 -4.91 116.67 115.49 2bis s ASP 87 Ca -0.00 1.22 -0.18 0.00 2.13 0.00 0.00 52.55 55.72 2bis s ASP 87 Cb 0.11 -2.54 -0.10 0.00 -1.45 0.00 0.00 42.92 38.95 2bis s ASP 87 CO 0.72 -1.26 1.04 0.58 0.13 0.00 0.00 175.17 176.38 2bis h VAL 88 N 6.20 0.00 -0.69 1.11 2.07 -1.94 -3.13 116.25 119.87 2bis h VAL 88 Ca -0.29 -0.14 -0.71 0.00 0.82 0.00 0.00 66.70 66.38 2bis h VAL 88 Cb 1.12 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.81 2bis h VAL 88 CO 1.04 0.00 2.50 -1.22 0.02 0.00 0.00 177.57 179.90 2bis n TYR 89 N -4.13 3.99 -0.25 1.57 4.02 -1.26 -4.85 117.16 116.25 2bis n TYR 89 Ca -0.08 -2.95 0.00 0.00 -0.01 0.00 0.00 57.90 54.86 2bis n TYR 89 Cb 0.26 -2.47 0.00 0.00 -0.02 0.00 0.00 39.34 37.11 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 4.37 -2.15 3.04 2.72 0.00 -1.18 -4.43 105.19 107.57 2bis n GLY 90 Ca 0.48 -1.44 -0.03 0.00 0.00 0.00 0.00 46.02 45.03 2bis n GLY 90 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2bis n PRO 91 N -0.68 0.00 -0.35 1.61 -0.02 -1.26 -3.16 135.00 131.15 2bis n PRO 91 Ca 0.00 -0.10 0.05 0.00 -2.02 0.00 0.00 63.50 61.43 2bis n PRO 91 Cb 0.00 -1.16 -0.01 0.00 -0.02 0.00 0.00 33.50 32.31 2bis n PRO 91 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2bis n GLY 92 N 4.01 -1.45 0.16 -1.23 0.00 -1.26 -3.07 105.19 102.35 2bis n GLY 92 Ca 0.03 -1.14 -0.09 0.00 0.00 0.00 0.00 46.02 44.83 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 -0.32 0.46 0.08 1.61 -0.00 -1.89 -0.60 115.95 115.28 2bis h TRP 93 Ca 0.01 0.01 -0.26 0.00 -0.00 0.00 0.00 58.89 58.65 2bis h TRP 93 Cb 0.32 -0.15 -0.01 0.00 -0.00 0.00 0.00 29.16 29.32 2bis h TRP 93 CO 0.00 0.30 -1.22 0.22 -0.00 0.00 0.00 178.44 177.74 2bis h ASP 94 N 0.48 0.28 -0.35 2.65 1.82 -1.89 -3.04 116.42 116.37 2bis h ASP 94 Ca 0.13 -0.31 -0.00 0.00 -0.39 0.00 0.00 57.03 56.45 2bis h ASP 94 Cb -0.04 -0.09 -0.02 0.00 0.68 0.00 0.00 39.33 39.86 2bis h ASP 94 CO -0.03 1.25 0.21 1.23 -1.61 0.00 0.00 179.24 180.29 2bis h GLY 95 N 2.08 0.51 -0.15 -0.78 0.00 -1.45 -2.38 103.07 100.90 2bis h GLY 95 Ca -0.11 -0.21 0.10 0.00 0.00 0.00 0.00 47.33 47.10 2bis h GLY 95 CO 0.17 0.20 -0.24 -2.00 0.00 0.00 0.00 176.54 174.68 2bis h LEU 96 N 0.45 -0.81 -0.65 3.11 5.85 -1.06 0.28 115.31 122.48 2bis h LEU 96 Ca 0.13 0.18 -0.11 0.00 0.84 0.00 0.00 57.88 58.91 2bis h LEU 96 Cb 0.00 0.43 -0.02 0.00 0.37 0.00 0.00 40.66 41.45 2bis h LEU 96 CO -0.02 -0.26 -0.16 0.40 -0.34 0.00 0.00 178.44 178.06 2bis h ILE 97 N -0.13 1.27 -0.90 4.05 5.03 -1.41 -0.80 117.51 124.61 2bis h ILE 97 Ca 0.22 -1.29 0.00 0.00 -0.12 0.00 0.00 64.86 63.68 2bis h ILE 97 Cb 0.48 1.08 -0.04 0.00 -3.03 0.00 0.00 36.82 35.31 2bis h ILE 97 CO -0.56 0.44 0.58 0.03 -0.68 0.00 0.00 178.15 177.96 2bis h ARG 98 N 0.78 1.21 -0.15 2.37 3.08 -0.85 -1.27 114.38 119.55 2bis h ARG 98 Ca 0.12 -0.09 0.02 0.00 0.07 0.00 0.00 59.98 60.10 2bis h ARG 98 Cb 0.70 -0.26 -0.02 0.00 0.08 0.00 0.00 29.97 30.46 2bis h ARG 98 CO 0.05 0.82 0.03 -0.22 -1.07 0.00 0.00 179.97 179.57 2bis h LYS 99 N 1.23 0.08 -0.91 0.04 3.64 0.43 0.22 116.57 121.31 2bis h LYS 99 Ca 0.33 -0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.75 2bis h LYS 99 Cb -0.11 -0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 31.63 2bis h LYS 99 CO -0.07 0.06 0.59 0.00 -2.27 0.00 0.00 179.45 177.76 2bis h ALA 100 N 1.11 1.23 -0.40 5.00 0.00 -0.83 0.44 119.26 125.81 2bis h ALA 100 Ca 0.06 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 2bis h ALA 100 Cb 0.06 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 2bis h ALA 100 CO -0.09 0.42 0.09 0.28 0.00 0.00 0.00 179.25 179.95 2bis h VAL 101 N 1.12 1.23 -0.55 0.00 2.07 -0.98 -1.20 116.25 117.95 2bis h VAL 101 Ca 0.37 -0.80 0.03 0.00 0.82 0.00 0.00 66.70 67.13 2bis h VAL 101 Cb 0.06 0.99 -0.04 0.00 -1.52 0.00 0.00 31.29 30.78 2bis h VAL 101 CO -0.14 0.28 0.31 0.74 0.02 0.00 0.00 177.57 178.78 2bis h THR 102 N 0.50 1.02 -0.79 2.57 2.02 0.21 -0.32 112.91 118.11 2bis h THR 102 Ca 0.12 -0.21 0.06 0.00 0.77 0.00 0.00 66.41 67.15 2bis h THR 102 Cb 0.32 0.35 -0.05 0.00 -1.74 0.00 0.00 68.15 67.03 2bis h THR 102 CO 0.00 0.11 0.52 0.15 0.37 0.00 0.00 175.52 176.67 2bis h PHE 103 N 0.61 0.88 0.21 3.16 3.57 0.03 0.31 116.94 125.72 2bis h PHE 103 Ca 0.23 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.75 2bis h PHE 103 Cb 0.07 -0.29 -0.02 0.00 2.79 0.00 0.00 35.95 38.51 2bis h PHE 103 CO -0.07 0.47 -0.20 0.78 -2.23 0.00 0.00 178.31 177.05 2bis h GLY 104 N 0.87 -0.44 1.78 2.40 0.00 0.19 0.29 103.07 108.16 2bis h GLY 104 Ca 0.34 0.23 -0.17 0.00 0.00 0.00 0.00 47.33 47.73 2bis h GLY 104 CO -0.12 -0.19 -0.72 3.21 0.00 0.00 0.00 176.54 178.73 2bis h ARG 105 N -0.44 0.22 -0.36 4.80 3.08 -1.12 -2.88 114.38 117.68 2bis h ARG 105 Ca -0.00 -0.18 -0.02 0.00 0.07 0.00 0.00 59.98 59.84 2bis h ARG 105 Cb 0.41 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.48 2bis h ARG 105 CO -0.04 0.84 0.14 0.00 -1.07 0.00 0.00 179.97 179.84 2bis h ALA 106 N 1.10 0.46 -0.45 0.04 0.00 -0.84 -2.36 119.26 117.22 2bis h ALA 106 Ca -0.02 -0.14 0.06 0.00 0.00 0.00 0.00 54.91 54.81 2bis h ALA 106 Cb 1.27 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.90 2bis h ALA 106 CO 0.11 0.07 0.30 0.77 0.00 0.00 0.00 179.25 180.50 2bis h SER 107 N 0.43 0.32 -0.09 0.00 0.02 -0.84 -1.02 113.55 112.37 2bis h SER 107 Ca 0.12 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.95 2bis h SER 107 Cb 0.20 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.67 2bis h SER 107 CO -0.01 0.21 -0.41 0.58 -1.14 0.00 0.00 176.83 176.07 2bis h VAL 108 N 0.37 1.39 -0.42 2.27 2.07 -1.32 -0.57 116.25 120.04 2bis h VAL 108 Ca 0.20 -1.76 0.04 0.00 0.82 0.00 0.00 66.70 66.00 2bis h VAL 108 Cb 0.31 2.23 -0.04 0.00 -1.52 0.00 0.00 31.29 32.27 2bis h VAL 108 CO -0.05 0.52 0.19 0.25 0.02 0.00 0.00 177.57 178.50 2bis h LEU 109 N 0.00 0.25 0.05 2.57 5.85 -0.88 0.24 115.31 123.39 2bis h LEU 109 Ca -0.02 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.73 2bis h LEU 109 Cb 1.05 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.07 2bis h LEU 109 CO 0.08 0.18 -0.02 0.25 -0.34 0.00 0.00 178.44 178.59 2bis h LEU 110 N 0.38 -0.06 -0.83 2.25 5.85 -1.22 -0.60 115.31 121.08 2bis h LEU 110 Ca 0.19 -0.15 0.05 0.00 0.84 0.00 0.00 57.88 58.80 2bis h LEU 110 Cb 0.13 0.02 -0.06 0.00 0.37 0.00 0.00 40.66 41.12 2bis h LEU 110 CO -0.16 0.12 0.52 0.25 -0.34 0.00 0.00 178.44 178.83 2bis h LEU 111 N -0.23 0.83 -0.56 2.25 5.85 -0.99 -2.67 115.31 119.79 2bis h LEU 111 Ca -0.01 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2bis h LEU 111 Cb 0.21 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.04 2bis h LEU 111 CO 0.01 0.55 0.35 -1.13 -0.34 0.00 0.00 178.44 177.88 2bis h ASN 112 N 0.97 0.66 -0.85 1.25 -1.24 0.05 -2.15 115.58 114.27 2bis h ASN 112 Ca 0.35 -0.04 0.00 0.00 0.71 0.00 0.00 56.30 57.32 2bis h ASN 112 Cb 0.10 -0.17 -0.04 0.00 0.73 0.00 0.00 38.32 38.94 2bis h ASN 112 CO -0.15 0.51 0.53 0.44 -1.29 0.00 0.00 177.43 177.47 2bis h ASP 113 N 0.76 1.00 -0.27 1.15 3.45 -1.00 -2.79 116.42 118.72 2bis h ASP 113 Ca 0.20 -0.05 -0.06 0.00 0.43 0.00 0.00 57.03 57.56 2bis h ASP 113 Cb -0.04 -0.25 -0.02 0.00 -0.56 0.00 0.00 39.33 38.45 2bis h ASP 113 CO -0.04 0.75 -0.00 -0.07 -1.57 0.00 0.00 179.24 178.31 2bis h LEU 114 N 1.16 0.56 -0.00 1.55 3.38 -1.09 -2.47 115.31 118.39 2bis h LEU 114 Ca 0.31 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.16 2bis h LEU 114 Cb -0.08 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.52 2bis h LEU 114 CO -0.06 0.63 0.00 0.18 0.09 0.00 0.00 178.44 179.28 2bis n LEU 115 N -4.26 0.00 0.07 1.67 4.77 -0.85 -1.41 117.00 116.99 2bis n LEU 115 Ca 0.02 0.50 0.18 0.00 -0.03 0.00 0.00 56.01 56.68 2bis n LEU 115 Cb 0.26 -0.50 0.70 0.00 -2.33 0.00 0.00 43.42 41.54 2bis n LEU 115 CO 0.40 -0.27 1.16 0.03 -1.33 0.00 0.00 177.39 177.38 2bis h ARG 116 N 0.00 0.00 0.00 3.23 3.08 -1.46 -3.34 114.38 115.89 2bis h ARG 116 Ca 0.00 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 59.91 2bis h ARG 116 Cb 0.24 0.00 -0.24 0.00 0.08 0.00 0.00 29.97 30.05 2bis h ARG 116 CO 0.00 0.00 -0.65 0.39 -1.07 0.00 0.00 179.97 178.64 2bis n GLU 117 N -4.33 0.00 -3.72 0.04 1.02 -0.50 -5.10 120.64 108.05 2bis n GLU 117 Ca 0.07 -1.42 -0.14 0.00 -0.02 0.00 0.00 57.16 55.65 2bis n GLU 117 Cb 0.49 0.15 -0.08 0.00 -0.02 0.00 0.00 31.44 31.98 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 0.77 0.58 3.49 2.02 -0.71 -5.10 118.70 119.75 2bis s GLU 118 Ca 0.16 -0.20 -0.19 0.00 0.02 0.00 0.00 54.97 54.76 2bis s GLU 118 Cb 0.19 0.34 -0.04 0.00 0.10 0.00 0.00 34.13 34.72 2bis s GLU 118 CO -0.08 -0.23 1.22 -2.14 0.02 0.00 0.00 175.26 174.05 2bis s PRO 119 N -1.62 3.03 0.42 0.39 0.02 -1.26 -4.42 135.00 131.56 2bis s PRO 119 Ca -0.11 1.85 -0.23 0.00 0.02 0.00 0.00 61.00 62.53 2bis s PRO 119 Cb -0.03 -1.98 -0.12 0.00 0.02 0.00 0.00 34.50 32.39 2bis s PRO 119 CO 0.03 -1.17 0.63 1.28 -0.33 0.00 0.00 177.00 177.45 2bis n LEU 120 N -1.49 0.48 -4.81 -5.54 4.32 -1.26 -4.94 117.00 103.77 2bis n LEU 120 Ca 0.13 0.93 -0.31 0.00 -0.02 0.00 0.00 56.01 56.74 2bis n LEU 120 Cb 0.49 -1.16 0.06 0.00 -1.62 0.00 0.00 43.42 41.20 2bis n LEU 120 CO 0.45 -2.63 0.71 -2.16 -1.22 0.00 0.00 177.39 172.54 2bis s PRO 121 N -1.67 2.76 0.48 3.23 0.04 -1.26 -4.96 135.00 133.62 2bis s PRO 121 Ca 0.64 1.02 0.27 0.00 0.04 0.00 0.00 61.00 62.97 2bis s PRO 121 Cb -0.60 -1.97 0.80 0.00 0.04 0.00 0.00 34.50 32.78 2bis s PRO 121 CO 0.58 -1.24 1.78 -0.44 0.04 0.00 0.00 177.00 177.71 2bis h ASP 122 N -0.81 0.00 -5.02 6.66 3.32 -1.24 -3.46 116.42 115.87 2bis h ASP 122 Ca -0.44 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.54 2bis h ASP 122 Cb 1.22 0.00 -0.17 0.00 0.22 0.00 0.00 39.33 40.60 2bis h ASP 122 CO 0.55 0.02 -0.01 0.54 -1.72 0.00 0.00 179.24 178.62 2bis s VAL 123 N -3.42 0.04 -0.24 -1.35 0.11 -1.19 -4.11 120.40 110.23 2bis s VAL 123 Ca 0.04 -0.30 -0.02 0.00 -2.93 0.00 0.00 61.98 58.77 2bis s VAL 123 Cb 0.07 -0.94 0.02 0.00 -1.53 0.00 0.00 36.38 34.00 2bis s VAL 123 CO 0.62 -0.17 -0.05 0.54 -3.33 0.00 0.00 175.10 172.71 2bis s VAL 124 N -2.24 3.02 -0.41 2.04 0.11 0.43 -1.63 120.40 121.72 2bis s VAL 124 Ca -0.06 -0.89 -0.10 0.00 -2.93 0.00 0.00 61.98 58.00 2bis s VAL 124 Cb -0.01 -2.49 0.07 0.00 -1.53 0.00 0.00 36.38 32.41 2bis s VAL 124 CO -0.00 0.25 0.24 -2.28 -3.33 0.00 0.00 175.10 169.98 2bis s HIS 125 N 1.37 3.31 0.00 1.54 5.04 0.24 -1.11 115.29 125.67 2bis s HIS 125 Ca 0.02 -1.38 0.04 0.00 -1.54 0.00 0.00 55.06 52.19 2bis s HIS 125 Cb -0.16 -2.81 -0.03 0.00 0.04 0.00 0.00 32.58 29.62 2bis s HIS 125 CO -0.04 -0.80 -0.08 -0.59 -2.34 0.00 0.00 174.74 170.89 2bis s PHE 126 N 1.46 2.84 -0.16 3.88 -0.12 -0.38 -1.20 117.98 124.31 2bis s PHE 126 Ca 0.02 -0.07 0.02 0.00 -0.05 0.00 0.00 56.93 56.86 2bis s PHE 126 Cb -0.22 -1.60 0.01 0.00 -0.63 0.00 0.00 43.02 40.59 2bis s PHE 126 CO 0.03 0.35 -0.21 -1.01 -0.05 0.00 0.00 175.22 174.33 2bis s HIS 127 N -0.96 2.71 0.45 3.49 3.76 -0.72 -1.44 115.29 122.59 2bis s HIS 127 Ca 0.16 -1.47 0.00 0.00 -0.15 0.00 0.00 55.06 53.60 2bis s HIS 127 Cb -0.11 -1.86 0.00 0.00 1.11 0.00 0.00 32.58 31.72 2bis s HIS 127 CO 0.06 -0.69 0.00 -0.25 -0.85 0.00 0.00 174.74 173.01 2bis n ASP 128 N 4.29 -8.37 0.25 1.40 8.00 -0.26 -4.26 116.55 117.60 2bis n ASP 128 Ca -0.20 0.93 0.15 0.00 0.71 0.00 0.00 54.79 56.38 2bis n ASP 128 Cb 0.51 -4.47 0.49 0.00 -0.02 0.00 0.00 41.12 37.63 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 -1.33 0.00 0.00 1.24 5.08 -1.91 -3.03 115.95 116.00 2bis h TRP 129 Ca -0.07 0.00 -0.03 0.00 1.08 0.00 0.00 58.89 59.87 2bis h TRP 129 Cb 1.30 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 27.46 2bis h TRP 129 CO -0.51 0.01 -0.16 0.45 -1.28 0.00 0.00 178.44 176.95 2bis h HIS 130 N 0.00 0.00 -0.12 0.12 3.86 -1.97 -2.27 115.15 114.78 2bis h HIS 130 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2bis h HIS 130 Cb 0.70 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.17 2bis h HIS 130 CO 0.00 0.16 0.00 0.25 0.86 0.00 0.00 177.93 179.20 2bis n THR 131 N -4.34 0.15 0.01 2.45 -2.24 -1.14 -4.44 114.28 104.73 2bis n THR 131 Ca -0.03 -0.21 -0.16 0.00 -2.27 0.00 0.00 64.05 61.39 2bis n THR 131 Cb 0.23 0.10 -0.05 0.00 -2.10 0.00 0.00 70.33 68.50 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 1.23 1.31 -0.91 2.28 2.07 -1.58 -0.77 116.25 119.88 2bis h VAL 132 Ca 0.00 -2.08 -0.01 0.00 0.82 0.00 0.00 66.70 65.43 2bis h VAL 132 Cb 0.27 2.09 -0.04 0.00 -1.52 0.00 0.00 31.29 32.09 2bis h VAL 132 CO 0.00 0.65 0.52 -0.26 0.02 0.00 0.00 177.57 178.50 2bis h PHE 133 N 0.44 1.22 -0.15 1.57 -1.00 -1.80 -0.79 116.94 116.42 2bis h PHE 133 Ca -0.06 -0.02 -0.02 0.00 2.81 0.00 0.00 57.97 60.69 2bis h PHE 133 Cb 1.43 -0.40 -0.01 0.00 3.61 0.00 0.00 35.95 40.59 2bis h PHE 133 CO 0.08 0.83 0.03 0.00 -1.61 0.00 0.00 178.31 177.64 2bis h ALA 134 N 1.29 0.20 0.09 2.45 0.00 -1.71 -1.15 119.26 120.43 2bis h ALA 134 Ca 0.32 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 2bis h ALA 134 Cb -0.01 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.72 2bis h ALA 134 CO -0.06 -0.15 -0.04 0.78 0.00 0.00 0.00 179.25 179.78 2bis h GLY 135 N 0.05 -0.13 1.18 0.00 0.00 -1.04 -1.92 103.07 101.21 2bis h GLY 135 Ca 0.05 0.05 -0.05 0.00 0.00 0.00 0.00 47.33 47.38 2bis h GLY 135 CO 0.00 -0.05 0.25 0.00 0.00 0.00 0.00 176.54 176.74 2bis h ALA 136 N 0.63 1.14 -0.54 3.60 0.00 -1.14 0.11 119.26 123.06 2bis h ALA 136 Ca -0.01 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.63 2bis h ALA 136 Cb 0.22 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 2bis h ALA 136 CO 0.02 0.61 0.05 -0.07 0.00 0.00 0.00 179.25 179.86 2bis h LEU 137 N 1.01 0.89 -0.51 0.00 3.38 -1.16 -0.85 115.31 118.08 2bis h LEU 137 Ca 0.23 -0.28 -0.07 0.00 0.09 0.00 0.00 57.88 57.85 2bis h LEU 137 Cb 0.23 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 2bis h LEU 137 CO -0.02 0.95 0.05 0.40 0.09 0.00 0.00 178.44 179.92 2bis h ILE 138 N 0.80 1.26 -0.60 1.22 2.04 -0.83 -2.24 117.51 119.16 2bis h ILE 138 Ca 0.16 -1.00 -0.04 0.00 1.00 0.00 0.00 64.86 64.98 2bis h ILE 138 Cb 0.47 0.91 -0.03 0.00 -0.74 0.00 0.00 36.82 37.43 2bis h ILE 138 CO 0.02 0.35 0.20 0.50 0.00 0.00 0.00 178.15 179.22 2bis h LYS 139 N 0.73 0.90 0.17 2.37 1.63 -0.74 -1.97 116.57 119.67 2bis h LYS 139 Ca 0.15 -0.16 -0.01 0.00 -0.85 0.00 0.00 60.65 59.78 2bis h LYS 139 Cb 0.45 -0.15 0.00 0.00 -0.60 0.00 0.00 32.23 31.93 2bis h LYS 139 CO 0.02 0.76 -0.08 -0.22 -3.45 0.00 0.00 179.45 176.48 2bis h LYS 140 N 0.88 -0.22 0.11 1.90 3.64 -0.74 -1.83 116.57 120.29 2bis h LYS 140 Ca 0.20 0.02 -0.34 0.00 -1.27 0.00 0.00 60.65 59.26 2bis h LYS 140 Cb 0.23 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.08 2bis h LYS 140 CO -0.01 0.02 -1.83 1.88 -2.27 0.00 0.00 179.45 177.24 2bis h TYR 141 N -0.45 0.42 0.00 1.91 -1.99 -1.46 -3.39 116.97 112.00 2bis h TYR 141 Ca -0.02 -0.30 -0.07 0.00 2.00 0.00 0.00 58.73 60.33 2bis h TYR 141 Cb 0.35 -0.02 -0.01 0.00 2.00 0.00 0.00 36.73 39.05 2bis h TYR 141 CO -0.00 1.55 -2.02 1.19 -0.00 0.00 0.00 178.16 178.88 2bis n PHE 142 N -3.41 0.00 -2.83 4.88 3.01 -0.75 -5.02 117.46 113.35 2bis n PHE 142 Ca -0.25 0.00 -0.16 0.00 1.01 0.00 0.00 57.45 58.05 2bis n PHE 142 Cb 1.05 -0.57 0.03 0.00 -0.01 0.00 0.00 39.48 39.98 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 -2.32 -3.63 -3.71 -1.08 4.76 -0.69 -5.00 118.16 106.49 2bis n LYS 143 Ca -0.09 0.64 -0.26 0.00 -2.87 0.00 0.00 58.31 55.72 2bis n LYS 143 Cb 0.66 -4.94 -0.03 0.00 -1.84 0.00 0.00 35.03 28.88 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 -3.01 5.21 0.42 -0.18 -4.36 -1.26 -5.05 121.20 112.98 2bis s ILE 144 Ca 0.23 -0.46 -0.23 0.00 -0.26 0.00 0.00 60.65 59.93 2bis s ILE 144 Cb -0.10 -3.76 -0.11 0.00 1.25 0.00 0.00 42.46 39.74 2bis s ILE 144 CO 0.28 -0.22 0.80 -2.65 0.24 0.00 0.00 174.94 173.39 2bis n PRO 145 N -0.84 0.96 -4.20 0.37 -0.02 -1.26 -4.77 135.00 125.23 2bis n PRO 145 Ca -0.05 0.35 -0.17 0.00 -2.02 0.00 0.00 63.50 61.60 2bis n PRO 145 Cb 0.54 -1.80 -0.15 0.00 -0.02 0.00 0.00 33.50 32.08 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 -1.36 0.55 -0.11 3.55 0.00 -1.26 -0.43 121.76 122.71 2bis s ALA 146 Ca 0.64 -0.21 0.01 0.00 0.00 0.00 0.00 51.96 52.41 2bis s ALA 146 Cb -0.58 -0.20 0.02 0.00 0.00 0.00 0.00 23.12 22.35 2bis s ALA 146 CO 0.57 0.09 -0.14 0.08 0.00 0.00 0.00 175.76 176.36 2bis s VAL 147 N 0.12 1.42 -0.28 0.00 1.01 -0.27 -1.20 120.40 121.21 2bis s VAL 147 Ca -0.01 -0.59 -0.11 0.00 0.00 0.00 0.00 61.98 61.27 2bis s VAL 147 Cb -0.06 -1.32 -0.05 0.00 0.00 0.00 0.00 36.38 34.96 2bis s VAL 147 CO -0.00 0.43 0.19 0.12 0.00 0.00 0.00 175.10 175.84 2bis s PHE 148 N 1.08 3.23 -0.19 5.22 5.36 -0.80 -1.24 117.98 130.63 2bis s PHE 148 Ca -0.05 0.14 -0.05 0.00 -0.96 0.00 0.00 56.93 56.01 2bis s PHE 148 Cb -0.15 -2.38 -0.02 0.00 -0.34 0.00 0.00 43.02 40.13 2bis s PHE 148 CO -0.03 -0.15 -0.01 0.99 -1.46 0.00 0.00 175.22 174.56 2bis s THR 149 N 1.73 3.88 -0.31 0.12 2.01 -0.52 0.27 115.64 122.82 2bis s THR 149 Ca 0.07 -0.34 -0.07 0.00 0.31 0.00 0.00 61.69 61.66 2bis s THR 149 Cb -0.16 -2.74 0.02 0.00 0.01 0.00 0.00 72.50 69.63 2bis s THR 149 CO 0.11 0.44 0.10 -0.63 -0.69 0.00 0.00 174.62 173.95 2bis s ILE 150 N 0.90 4.02 -0.05 1.82 1.01 0.57 -1.10 121.20 128.37 2bis s ILE 150 Ca 0.01 -0.79 -0.03 0.00 0.00 0.00 0.00 60.65 59.83 2bis s ILE 150 Cb -0.14 -3.13 -0.01 0.00 0.01 0.00 0.00 42.46 39.18 2bis s ILE 150 CO 0.02 -0.01 -0.06 1.41 0.00 0.00 0.00 174.94 176.29 2bis n HIS 151 N 4.87 0.29 -3.96 3.97 8.25 -1.26 -3.61 115.22 123.77 2bis n HIS 151 Ca -0.14 0.13 -0.30 0.00 -0.26 0.00 0.00 57.72 57.14 2bis n HIS 151 Cb 0.47 -0.40 -0.16 0.00 1.12 0.00 0.00 29.99 31.02 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 -1.44 1.77 -0.21 -0.41 3.52 -1.26 -4.90 118.95 116.01 2bis s ARG 152 Ca -0.05 -0.97 -0.28 0.00 -0.13 0.00 0.00 55.73 54.30 2bis s ARG 152 Cb 0.01 -2.55 -0.05 0.00 -1.56 0.00 0.00 34.95 30.80 2bis s ARG 152 CO 0.08 -0.55 2.20 -1.17 -0.81 0.00 0.00 175.30 175.05 2bis s LEU 153 N 1.38 3.47 -0.02 -0.88 2.96 -1.26 -4.89 118.68 119.44 2bis s LEU 153 Ca -0.05 1.90 0.17 0.00 -0.22 0.00 0.00 54.13 55.93 2bis s LEU 153 Cb -0.18 -3.51 -0.26 0.00 0.50 0.00 0.00 46.19 42.74 2bis s LEU 153 CO -0.07 -1.93 0.39 -3.20 -1.32 0.00 0.00 176.35 170.22 2bis n ASN 154 N 11.55 1.14 0.00 3.68 5.15 -1.26 -5.02 115.26 130.49 2bis n ASN 154 Ca 0.29 -0.05 0.00 0.00 -0.60 0.00 0.00 54.58 54.22 2bis n ASN 154 Cb 0.45 1.73 0.00 0.00 -0.53 0.00 0.00 39.78 41.42 2bis n ASN 154 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 2bis n LYS 155 N -2.04 -0.48 -1.84 1.20 5.02 -1.26 -4.99 118.16 113.77 2bis n LYS 155 Ca -0.03 0.12 -0.25 0.00 -2.02 0.00 0.00 58.31 56.14 2bis n LYS 155 Cb 0.43 -3.86 0.16 0.00 -0.02 0.00 0.00 35.03 31.74 2bis n LYS 155 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2bis n SER 156 N -0.24 0.37 -4.25 4.39 2.88 -1.26 -5.10 113.62 110.40 2bis n SER 156 Ca 0.00 -1.57 -0.14 0.00 -1.33 0.00 0.00 58.87 55.83 2bis n SER 156 Cb 0.12 -0.82 -0.10 0.00 -0.75 0.00 0.00 64.21 62.66 2bis n SER 156 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 2bis s LYS 157 N -5.37 1.12 -0.02 -1.46 1.02 -1.26 -4.46 119.74 109.30 2bis s LYS 157 Ca 0.64 -1.53 0.05 0.00 0.02 0.00 0.00 55.97 55.16 2bis s LYS 157 Cb -0.02 -0.39 -0.01 0.00 -0.52 0.00 0.00 37.83 36.89 2bis s LYS 157 CO 0.45 -0.08 -0.18 -0.51 -0.92 0.00 0.00 175.35 174.11 2bis s LEU 158 N -3.18 2.03 0.28 3.17 1.43 0.57 -4.90 118.68 118.08 2bis s LEU 158 Ca 0.22 -0.33 -0.29 0.00 -1.03 0.00 0.00 54.13 52.70 2bis s LEU 158 Cb 0.05 -0.93 -0.14 0.00 0.03 0.00 0.00 46.19 45.20 2bis s LEU 158 CO 0.03 0.22 1.17 -2.65 0.23 0.00 0.00 176.35 175.36 2bis n PRO 159 N 2.66 1.66 0.10 1.29 -0.02 -1.26 -0.61 135.00 138.82 2bis n PRO 159 Ca -0.15 0.59 0.16 0.00 -2.02 0.00 0.00 63.50 62.07 2bis n PRO 159 Cb 0.54 -2.08 0.68 0.00 -0.02 0.00 0.00 33.50 32.62 2bis n PRO 159 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2bis h ALA 160 N 2.70 2.29 -0.54 3.55 0.00 -0.43 -2.56 119.26 124.27 2bis h ALA 160 Ca -0.43 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.54 2bis h ALA 160 Cb 1.31 0.02 -0.08 0.00 0.00 0.00 0.00 17.79 19.05 2bis h ALA 160 CO 0.65 -0.40 -0.27 0.34 0.00 0.00 0.00 179.25 179.56 2bis n PHE 161 N -4.41 -0.13 -0.00 0.00 7.35 -1.26 -1.69 117.46 117.32 2bis n PHE 161 Ca 0.05 0.67 -0.01 0.00 -0.76 0.00 0.00 57.45 57.40 2bis n PHE 161 Cb 0.41 -0.61 0.28 0.00 0.35 0.00 0.00 39.48 39.90 2bis n PHE 161 CO 0.00 0.00 0.00 1.88 -0.76 0.00 0.00 176.76 177.88 2bis h TYR 162 N 0.00 0.56 -0.37 -5.13 -1.99 -1.83 -2.05 116.97 106.16 2bis h TYR 162 Ca 0.13 -0.06 -0.07 0.00 2.00 0.00 0.00 58.73 60.72 2bis h TYR 162 Cb 0.27 -0.16 -0.01 0.00 2.00 0.00 0.00 36.73 38.83 2bis h TYR 162 CO -0.52 0.57 -0.06 0.74 -0.00 0.00 0.00 178.16 178.88 2bis h PHE 163 N 0.50 0.77 -0.91 4.88 -1.00 -1.51 -1.19 116.94 118.49 2bis h PHE 163 Ca 0.10 -0.16 0.09 0.00 2.81 0.00 0.00 57.97 60.82 2bis h PHE 163 Cb 0.38 -0.19 -0.07 0.00 3.61 0.00 0.00 35.95 39.68 2bis h PHE 163 CO 0.01 0.83 0.59 0.45 -1.61 0.00 0.00 178.31 178.58 2bis h HIS 164 N 0.50 1.00 0.00 -0.55 3.86 -0.90 -1.04 115.15 118.02 2bis h HIS 164 Ca 0.10 0.03 -0.12 0.00 -1.16 0.00 0.00 60.37 59.21 2bis h HIS 164 Cb 0.56 -0.32 -0.02 0.00 1.06 0.00 0.00 27.41 28.69 2bis h HIS 164 CO 0.05 0.47 -0.57 0.93 0.86 0.00 0.00 177.93 179.66 2bis h GLU 165 N 0.93 0.00 0.00 2.45 4.39 -1.27 -2.90 114.58 118.19 2bis h GLU 165 Ca 0.42 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.12 2bis h GLU 165 Cb 0.37 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.02 2bis h GLU 165 CO -0.18 0.57 0.00 0.00 -1.16 0.00 0.00 179.01 178.24 2bis n ALA 166 N -2.32 2.10 -2.33 3.43 0.00 -0.46 -4.70 120.51 116.23 2bis n ALA 166 Ca 0.00 -0.09 -0.04 0.00 0.00 0.00 0.00 53.44 53.32 2bis n ALA 166 Cb 0.66 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.73 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 0.90 0.43 2.53 0.00 0.00 -0.89 -4.97 105.19 103.20 2bis n GLY 167 Ca 0.07 -0.65 -0.16 0.00 0.00 0.00 0.00 46.02 45.28 2bis n GLY 167 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2bis n LEU 168 N -0.83 2.04 0.17 0.99 4.77 -0.48 -4.89 117.00 118.77 2bis n LEU 168 Ca -0.02 -4.44 0.03 0.00 -0.03 0.00 0.00 56.01 51.54 2bis n LEU 168 Cb 0.52 0.29 0.25 0.00 -2.33 0.00 0.00 43.42 42.15 2bis n LEU 168 CO 0.07 1.92 0.60 0.28 -1.33 0.00 0.00 177.39 178.93 2bis h SER 169 N 2.93 0.00 0.46 -1.43 0.02 -1.86 -2.67 113.55 111.00 2bis h SER 169 Ca 0.03 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 2bis h SER 169 Cb 1.03 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.57 2bis h SER 169 CO 0.58 0.47 0.00 1.05 -1.14 0.00 0.00 176.83 177.79 2bis h GLU 170 N 0.00 0.00 -0.23 3.45 9.09 -1.94 -1.16 114.58 123.79 2bis h GLU 170 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 2bis h GLU 170 Cb 1.02 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.12 2bis h GLU 170 CO 0.06 0.00 0.00 1.28 0.05 0.00 0.00 179.01 180.40 2bis n LEU 171 N -2.64 2.44 -3.39 3.06 4.77 -1.01 -4.68 117.00 115.57 2bis n LEU 171 Ca -0.00 -1.01 -0.26 0.00 -0.03 0.00 0.00 56.01 54.71 2bis n LEU 171 Cb 0.16 -0.14 -0.08 0.00 -2.33 0.00 0.00 43.42 41.03 2bis n LEU 171 CO 0.19 0.50 -0.01 0.00 -1.33 0.00 0.00 177.39 176.75 2bis n ALA 172 N 0.84 3.71 -0.73 -1.18 0.00 -0.44 -4.88 120.51 117.83 2bis n ALA 172 Ca 0.17 -4.47 -0.13 0.00 0.00 0.00 0.00 53.44 49.01 2bis n ALA 172 Cb 0.46 -0.88 0.19 0.00 0.00 0.00 0.00 19.45 19.22 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 1.01 2.58 -3.93 0.00 -0.04 -1.26 -4.90 135.00 128.45 2bis n PRO 173 Ca 0.28 -2.47 -0.08 0.00 -0.04 0.00 0.00 63.50 61.19 2bis n PRO 173 Cb 0.43 -2.00 -0.08 0.00 -0.04 0.00 0.00 33.50 31.81 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 -2.61 0.27 0.27 0.54 1.51 -1.26 -5.02 117.35 111.04 2bis s TYR 174 Ca 0.46 -0.72 -0.03 0.00 -1.01 0.00 0.00 57.07 55.77 2bis s TYR 174 Cb 0.38 -0.17 0.39 0.00 -0.11 0.00 0.00 41.96 42.45 2bis s TYR 174 CO 0.10 -0.48 1.90 -1.00 -1.11 0.00 0.00 175.55 174.96 2bis h PRO 175 N 2.96 1.17 -4.29 -1.71 0.13 -1.97 -3.41 132.00 124.89 2bis h PRO 175 Ca -0.34 -0.07 -0.50 0.00 -0.87 0.00 0.00 66.00 64.22 2bis h PRO 175 Cb 1.18 -0.26 -0.35 0.00 0.13 0.00 0.00 31.00 31.70 2bis h PRO 175 CO 0.59 0.77 -0.80 -0.51 -0.23 0.00 0.00 178.00 177.82 2bis s ASP 176 N -5.97 1.78 -0.10 1.44 1.11 -1.26 0.26 116.67 113.92 2bis s ASP 176 Ca -0.12 -0.26 0.02 0.00 0.18 0.00 0.00 52.55 52.36 2bis s ASP 176 Cb 0.20 -0.75 -0.02 0.00 1.07 0.00 0.00 42.92 43.42 2bis s ASP 176 CO 0.81 -0.05 -0.15 -0.63 1.18 0.00 0.00 175.17 176.33 2bis s ILE 177 N 1.18 2.94 -0.29 0.77 1.09 0.22 -4.85 121.20 122.26 2bis s ILE 177 Ca -0.05 -0.73 -0.29 0.00 -1.10 0.00 0.00 60.65 58.48 2bis s ILE 177 Cb -0.14 -2.19 0.01 0.00 -1.06 0.00 0.00 42.46 39.07 2bis s ILE 177 CO -0.02 0.55 1.18 -0.62 -0.10 0.00 0.00 174.94 175.93 2bis s ASP 178 N -0.04 6.85 0.53 3.58 2.15 -1.26 -0.31 116.67 128.16 2bis s ASP 178 Ca -0.04 1.20 0.32 0.00 0.43 0.00 0.00 52.55 54.46 2bis s ASP 178 Cb -0.14 -2.54 1.29 0.00 -0.30 0.00 0.00 42.92 41.23 2bis s ASP 178 CO 0.04 -0.93 1.96 1.55 -0.17 0.00 0.00 175.17 177.62 2bis h PRO 179 N 8.51 0.00 -0.17 4.34 0.13 -1.95 -2.32 132.00 140.55 2bis h PRO 179 Ca -0.23 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.79 2bis h PRO 179 Cb 1.08 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.20 2bis h PRO 179 CO 1.02 0.05 -0.37 0.93 -0.23 0.00 0.00 178.00 179.41 2bis h GLU 180 N 0.00 0.37 -0.30 0.86 5.08 -1.91 -2.27 114.58 116.40 2bis h GLU 180 Ca -0.00 -0.17 -0.10 0.00 -1.00 0.00 0.00 59.36 58.09 2bis h GLU 180 Cb 0.55 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 2bis h GLU 180 CO 0.01 0.69 -0.20 1.25 -1.00 0.00 0.00 179.01 179.76 2bis h HIS 181 N 0.31 0.78 -0.70 4.33 2.76 -1.84 -2.92 115.15 117.88 2bis h HIS 181 Ca 0.03 -0.21 0.02 0.00 -2.20 0.00 0.00 60.37 58.01 2bis h HIS 181 Cb 0.79 -0.17 -0.04 0.00 1.55 0.00 0.00 27.41 29.54 2bis h HIS 181 CO 0.02 0.92 0.45 1.15 -1.30 0.00 0.00 177.93 179.17 2bis h THR 182 N 0.42 1.14 -0.07 6.26 2.02 -1.38 0.57 112.91 121.86 2bis h THR 182 Ca 0.06 -0.31 0.03 0.00 0.77 0.00 0.00 66.41 66.96 2bis h THR 182 Cb 0.74 0.16 -0.04 0.00 -1.74 0.00 0.00 68.15 67.27 2bis h THR 182 CO 0.05 0.17 -0.13 1.23 0.37 0.00 0.00 175.52 177.21 2bis h GLY 183 N 0.91 -0.10 1.50 2.16 0.00 -1.41 -0.70 103.07 105.44 2bis h GLY 183 Ca 0.27 0.16 -0.08 0.00 0.00 0.00 0.00 47.33 47.67 2bis h GLY 183 CO -0.08 -0.13 -0.13 -1.33 0.00 0.00 0.00 176.54 174.86 2bis h GLY 184 N -0.19 0.64 0.87 4.60 0.00 -1.34 -2.15 103.07 105.50 2bis h GLY 184 Ca 0.07 -0.47 -0.03 0.00 0.00 0.00 0.00 47.33 46.90 2bis h GLY 184 CO -0.18 0.43 0.05 -1.82 0.00 0.00 0.00 176.54 175.02 2bis h TYR 185 N 0.54 0.46 0.00 5.60 3.20 -0.58 -3.05 116.97 123.14 2bis h TYR 185 Ca 0.10 -0.06 0.00 0.00 3.14 0.00 0.00 58.73 61.90 2bis h TYR 185 Cb 0.55 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 38.69 2bis h TYR 185 CO 0.02 0.54 -0.11 0.44 -1.64 0.00 0.00 178.16 177.41 2bis n ILE 186 N -4.68 0.29 -3.27 1.81 -6.64 -0.30 -4.90 119.36 101.68 2bis n ILE 186 Ca -0.03 -0.15 -0.36 0.00 -1.77 0.00 0.00 62.75 60.44 2bis n ILE 186 Cb 0.20 -0.43 -0.06 0.00 -1.44 0.00 0.00 39.64 37.91 2bis n ILE 186 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 2bis s ALA 187 N -3.06 3.53 0.10 -1.28 0.00 -0.82 -4.91 121.76 115.32 2bis s ALA 187 Ca 0.11 -0.01 -0.14 0.00 0.00 0.00 0.00 51.96 51.92 2bis s ALA 187 Cb 0.15 -2.63 -0.13 0.00 0.00 0.00 0.00 23.12 20.52 2bis s ALA 187 CO 0.59 0.41 1.35 -0.44 0.00 0.00 0.00 175.76 177.67 2bis h ASP 188 N 3.70 0.87 -5.16 0.00 3.32 -1.46 -3.45 116.42 114.25 2bis h ASP 188 Ca -0.49 -0.57 -0.13 0.00 0.02 0.00 0.00 57.03 55.86 2bis h ASP 188 Cb 1.20 -0.25 -0.17 0.00 0.22 0.00 0.00 39.33 40.33 2bis h ASP 188 CO 0.65 1.28 -0.66 0.27 -1.72 0.00 0.00 179.24 179.06 2bis s ILE 189 N -3.98 0.18 -0.02 0.35 -5.25 -1.19 -4.89 121.20 106.40 2bis s ILE 189 Ca -0.11 -1.50 0.06 0.00 -0.99 0.00 0.00 60.65 58.10 2bis s ILE 189 Cb 0.09 -1.14 -0.01 0.00 2.95 0.00 0.00 42.46 44.34 2bis s ILE 189 CO 0.87 -0.83 -0.20 -0.69 -1.79 0.00 0.00 174.94 172.30 2bis s VAL 190 N -3.18 1.60 0.05 8.37 1.01 0.25 -1.91 120.40 126.59 2bis s VAL 190 Ca 0.00 -0.85 0.07 0.00 0.00 0.00 0.00 61.98 61.19 2bis s VAL 190 Cb 0.03 -1.33 -0.03 0.00 0.00 0.00 0.00 36.38 35.05 2bis s VAL 190 CO -0.07 0.45 -0.18 0.42 0.00 0.00 0.00 175.10 175.72 2bis s THR 191 N -0.40 1.46 0.29 3.92 -4.23 0.14 -0.96 115.64 115.87 2bis s THR 191 Ca 0.06 -1.20 0.06 0.00 -1.18 0.00 0.00 61.69 59.42 2bis s THR 191 Cb -0.09 -1.30 -0.06 0.00 1.34 0.00 0.00 72.50 72.39 2bis s THR 191 CO -0.00 0.06 -0.02 0.28 -0.54 0.00 0.00 174.62 174.40 2bis s THR 192 N -0.91 1.49 -1.23 3.99 -1.32 -0.85 -0.31 115.64 116.49 2bis s THR 192 Ca 0.05 -2.08 0.21 0.00 -1.21 0.00 0.00 61.69 58.67 2bis s THR 192 Cb -0.09 -2.56 0.29 0.00 -1.51 0.00 0.00 72.50 68.63 2bis s THR 192 CO 0.02 -0.21 1.69 0.52 -2.21 0.00 0.00 174.62 174.43 2bis n VAL 193 N -0.61 0.42 -3.47 5.08 0.31 -1.24 -0.45 118.33 118.37 2bis n VAL 193 Ca -0.05 0.11 -0.11 0.00 -0.01 0.00 0.00 64.34 64.28 2bis n VAL 193 Cb 0.64 -0.74 -0.03 0.00 -0.91 0.00 0.00 33.84 32.80 2bis n VAL 193 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 2bis s SER 194 N -2.77 -0.49 0.30 4.52 1.04 -1.25 -3.62 113.70 111.45 2bis s SER 194 Ca 0.16 0.10 0.04 0.00 0.48 0.00 0.00 55.95 56.73 2bis s SER 194 Cb 0.14 0.49 0.48 0.00 0.10 0.00 0.00 66.02 67.23 2bis s SER 194 CO 0.36 -0.76 1.75 -0.09 0.98 0.00 0.00 173.24 175.48 2bis h ARG 195 N 2.13 0.40 -0.34 4.02 2.43 -1.90 -2.53 114.38 118.59 2bis h ARG 195 Ca -0.28 -0.14 -0.16 0.00 -0.81 0.00 0.00 59.98 58.58 2bis h ARG 195 Cb 1.26 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 30.78 2bis h ARG 195 CO 0.35 0.63 -0.43 0.78 -1.51 0.00 0.00 179.97 179.78 2bis h GLY 196 N 1.02 0.96 1.12 2.80 0.00 -1.92 -2.38 103.07 104.66 2bis h GLY 196 Ca 0.05 -1.01 -0.09 0.00 0.00 0.00 0.00 47.33 46.28 2bis h GLY 196 CO 0.05 0.91 0.01 -1.82 0.00 0.00 0.00 176.54 175.70 2bis h TYR 197 N 0.70 1.14 -0.72 5.60 3.20 -1.71 -0.52 116.97 124.67 2bis h TYR 197 Ca 0.05 -0.19 0.09 0.00 3.14 0.00 0.00 58.73 61.82 2bis h TYR 197 Cb 1.02 -0.30 -0.07 0.00 1.54 0.00 0.00 36.73 38.92 2bis h TYR 197 CO 0.06 1.00 0.36 1.25 -1.64 0.00 0.00 178.16 179.20 2bis h LEU 198 N 0.97 0.48 -0.00 2.82 5.85 -1.31 -0.73 115.31 123.38 2bis h LEU 198 Ca 0.18 0.06 -0.09 0.00 0.84 0.00 0.00 57.88 58.86 2bis h LEU 198 Cb 0.54 -0.02 0.01 0.00 0.37 0.00 0.00 40.66 41.55 2bis h LEU 198 CO 0.03 0.27 -0.35 0.40 -0.34 0.00 0.00 178.44 178.45 2bis h ILE 199 N 0.62 1.51 -0.35 4.05 2.04 -1.18 -2.83 117.51 121.37 2bis h ILE 199 Ca 0.35 -1.97 0.06 0.00 1.00 0.00 0.00 64.86 64.29 2bis h ILE 199 Cb 0.36 2.71 -0.05 0.00 -0.74 0.00 0.00 36.82 39.10 2bis h ILE 199 CO -0.26 0.55 0.05 0.44 0.00 0.00 0.00 178.15 178.93 2bis h ASP 200 N -0.38 -0.03 -0.97 1.72 5.19 -0.98 -2.64 116.42 118.32 2bis h ASP 200 Ca -0.04 0.07 -0.61 0.00 -0.62 0.00 0.00 57.03 55.83 2bis h ASP 200 Cb 1.09 0.10 -0.29 0.00 0.18 0.00 0.00 39.33 40.41 2bis h ASP 200 CO 0.07 0.02 0.78 1.21 -3.12 0.00 0.00 179.24 178.20 2bis n GLU 201 N -5.12 2.50 0.25 3.56 4.07 -0.29 -4.52 120.64 121.09 2bis n GLU 201 Ca 0.01 -3.09 0.12 0.00 -0.06 0.00 0.00 57.16 54.14 2bis n GLU 201 Cb 0.17 -2.21 0.63 0.00 -0.06 0.00 0.00 31.44 29.96 2bis n GLU 201 CO 0.00 0.00 0.00 2.35 -0.06 0.00 0.00 177.13 179.42 2bis h TRP 202 N 1.64 0.00 -0.75 4.31 -0.00 -1.20 -1.75 115.95 118.20 2bis h TRP 202 Ca 0.60 0.00 0.16 0.00 -0.00 0.00 0.00 58.89 59.64 2bis h TRP 202 Cb 1.47 0.00 -0.14 0.00 -0.00 0.00 0.00 29.16 30.49 2bis h TRP 202 CO 1.45 0.15 -0.15 0.78 -0.00 0.00 0.00 178.44 180.67 2bis h GLY 203 N 1.47 0.60 0.07 2.65 0.00 -1.84 -1.37 103.07 104.64 2bis h GLY 203 Ca -0.00 0.22 -0.00 0.00 0.00 0.00 0.00 47.33 47.55 2bis h GLY 203 CO 0.02 -0.29 -0.01 -2.75 0.00 0.00 0.00 176.54 173.52 2bis h PHE 204 N 0.02 -0.01 0.00 5.60 3.57 -1.78 -3.39 116.94 120.95 2bis h PHE 204 Ca 0.37 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.87 2bis h PHE 204 Cb 0.59 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.33 2bis h PHE 204 CO -0.56 0.77 0.00 0.74 -2.23 0.00 0.00 178.31 177.03 2bis h PHE 205 N -0.95 0.00 0.00 0.41 0.05 -1.00 -2.77 116.94 112.69 2bis h PHE 205 Ca -0.00 0.00 -0.03 0.00 3.82 0.00 0.00 57.97 61.76 2bis h PHE 205 Cb 0.79 0.00 -0.00 0.00 2.00 0.00 0.00 35.95 38.74 2bis h PHE 205 CO 0.21 0.00 -0.13 0.07 -0.18 0.00 0.00 178.31 178.29 2bis h ARG 206 N 0.00 0.00 0.00 1.51 0.11 -1.45 -1.91 114.38 112.64 2bis h ARG 206 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2bis h ARG 206 Cb 0.34 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.42 2bis h ARG 206 CO 0.00 0.13 0.17 -0.91 0.10 0.00 0.00 179.97 179.46 2bis h ASN 207 N 0.00 0.00 -0.79 0.08 4.21 -1.76 -2.21 115.58 115.11 2bis h ASN 207 Ca -0.00 0.00 -0.56 0.00 1.21 0.00 0.00 56.30 56.95 2bis h ASN 207 Cb 0.28 0.00 -0.37 0.00 -1.12 0.00 0.00 38.32 37.11 2bis h ASN 207 CO 0.02 0.00 -0.30 0.49 -1.29 0.00 0.00 177.43 176.35 2bis n PHE 208 N -2.94 2.77 -2.20 1.19 0.99 -0.72 -5.04 117.46 111.51 2bis n PHE 208 Ca -0.02 -2.41 -0.42 0.00 -0.00 0.00 0.00 57.45 54.59 2bis n PHE 208 Cb 0.23 -0.66 -0.03 0.00 -1.00 0.00 0.00 39.48 38.02 2bis n PHE 208 CO 0.00 0.00 0.00 -2.00 -0.00 0.00 0.00 176.76 174.76 2bis s GLU 209 N -3.64 4.29 0.00 -1.08 2.12 -0.84 -1.68 118.70 117.88 2bis s GLU 209 Ca 0.54 2.01 0.00 0.00 0.36 0.00 0.00 54.97 57.88 2bis s GLU 209 Cb 0.44 -3.49 0.00 0.00 0.26 0.00 0.00 34.13 31.34 2bis s GLU 209 CO 0.02 -0.54 0.00 0.41 -0.54 0.00 0.00 175.26 174.61 2bis n GLY 210 N 3.62 3.33 0.07 -1.50 0.00 -0.37 -4.83 105.19 105.51 2bis n GLY 210 Ca 0.13 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.16 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 -1.61 -0.59 -4.04 1.61 2.85 -0.90 -4.83 118.16 110.64 2bis n LYS 211 Ca 0.00 -0.65 -0.34 0.00 -1.05 0.00 0.00 58.31 56.27 2bis n LYS 211 Cb 0.00 -1.03 -0.06 0.00 -0.65 0.00 0.00 35.03 33.28 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 -0.18 4.98 0.03 0.58 2.07 -0.67 -0.58 121.20 127.42 2bis s ILE 212 Ca 0.02 -0.25 0.00 0.00 -1.41 0.00 0.00 60.65 59.01 2bis s ILE 212 Cb 0.01 -3.26 -0.00 0.00 0.13 0.00 0.00 42.46 39.34 2bis s ILE 212 CO 0.02 0.40 0.04 1.07 -1.91 0.00 0.00 174.94 174.56 2bis n THR 213 N 1.30 0.00 -4.37 4.00 5.66 -0.14 -0.35 114.28 120.38 2bis n THR 213 Ca -0.14 -0.18 -0.28 0.00 -3.05 0.00 0.00 64.05 60.40 2bis n THR 213 Cb 0.53 0.10 -0.12 0.00 -1.55 0.00 0.00 70.33 69.30 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 -3.88 2.40 -0.05 1.09 -0.85 -1.26 -2.02 117.35 112.79 2bis s TYR 214 Ca 0.03 -0.32 -0.02 0.00 -0.52 0.00 0.00 57.07 56.23 2bis s TYR 214 Cb 0.00 -1.23 0.03 0.00 0.38 0.00 0.00 41.96 41.14 2bis s TYR 214 CO 0.02 0.44 0.08 0.08 -1.52 0.00 0.00 175.55 174.65 2bis s VAL 215 N -1.41 -0.14 0.52 -3.49 1.01 0.40 -4.87 120.40 112.42 2bis s VAL 215 Ca 0.19 0.41 -0.21 0.00 0.00 0.00 0.00 61.98 62.36 2bis s VAL 215 Cb -0.09 -0.18 -0.06 0.00 0.00 0.00 0.00 36.38 36.06 2bis s VAL 215 CO 0.10 0.17 1.22 -0.36 0.00 0.00 0.00 175.10 176.23 2bis s PHE 216 N 2.15 2.60 0.98 5.22 2.99 -1.25 -4.13 117.98 126.53 2bis s PHE 216 Ca 0.04 1.49 -0.16 0.00 0.00 0.00 0.00 56.93 58.30 2bis s PHE 216 Cb -0.12 -3.50 0.24 0.00 0.00 0.00 0.00 43.02 39.64 2bis s PHE 216 CO -0.04 -2.02 0.94 0.09 -0.00 0.00 0.00 175.22 174.20 2bis n ASN 217 N -0.94 -1.52 -4.32 1.36 3.02 -1.24 -4.60 115.26 107.03 2bis n ASN 217 Ca 0.10 -1.12 -0.17 0.00 -0.03 0.00 0.00 54.58 53.35 2bis n ASN 217 Cb 0.48 -0.83 -0.10 0.00 -0.61 0.00 0.00 39.78 38.71 2bis n ASN 217 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 2bis s GLY 218 N -4.38 1.82 0.02 7.41 0.00 -1.26 -4.78 107.32 106.15 2bis s GLY 218 Ca 0.60 -1.88 0.09 0.00 0.00 0.00 0.00 44.72 43.52 2bis s GLY 218 CO 0.45 -1.63 -0.25 -1.50 0.00 0.00 0.00 173.10 170.17 2bis s ILE 219 N -3.67 2.19 -1.05 0.90 1.10 0.10 -4.83 121.20 115.93 2bis s ILE 219 Ca 0.37 -1.26 -0.15 0.00 -0.51 0.00 0.00 60.65 59.10 2bis s ILE 219 Cb 0.08 -1.82 0.17 0.00 0.15 0.00 0.00 42.46 41.04 2bis s ILE 219 CO 0.14 0.44 1.21 -0.62 -2.11 0.00 0.00 174.94 174.01 2bis s ASP 220 N -1.02 6.90 0.17 4.50 3.68 -1.26 -4.45 116.67 125.19 2bis s ASP 220 Ca 0.11 -2.67 0.19 0.00 2.13 0.00 0.00 52.55 52.32 2bis s ASP 220 Cb -0.10 -2.36 0.84 0.00 -1.45 0.00 0.00 42.92 39.85 2bis s ASP 220 CO 0.01 -0.80 1.59 0.00 0.13 0.00 0.00 175.17 176.10 2bis h SER 222 N 0.00 0.40 0.06 0.00 4.64 -2.00 -3.13 113.55 113.52 2bis h SER 222 Ca 0.00 -0.16 -0.15 0.00 -0.47 0.00 0.00 61.79 61.01 2bis h SER 222 Cb 0.27 -0.11 0.01 0.00 -0.31 0.00 0.00 62.40 62.26 2bis h SER 222 CO 0.00 0.74 -0.60 0.15 -0.87 0.00 0.00 176.83 176.25 2bis h PHE 223 N 0.33 0.50 -1.36 4.77 3.57 -1.87 -3.39 116.94 119.48 2bis h PHE 223 Ca 0.04 -0.31 -0.70 0.00 3.53 0.00 0.00 57.97 60.53 2bis h PHE 223 Cb 0.79 -0.04 -0.12 0.00 2.79 0.00 0.00 35.95 39.38 2bis h PHE 223 CO 0.02 1.18 1.86 -1.58 -2.23 0.00 0.00 178.31 177.56 2bis s TRP 224 N -2.82 3.04 -0.08 0.41 0.52 -1.04 -4.91 118.94 114.07 2bis s TRP 224 Ca -0.14 -1.80 -0.08 0.00 0.02 0.00 0.00 56.10 54.11 2bis s TRP 224 Cb 0.02 -4.59 0.02 0.00 -1.15 0.00 0.00 33.47 27.77 2bis s TRP 224 CO 0.81 -1.66 0.22 1.21 0.02 0.00 0.00 176.95 177.55 2bis s ASN 225 N 3.73 -0.23 0.45 2.95 3.84 -1.24 -4.36 114.94 120.08 2bis s ASN 225 Ca 0.49 0.44 0.24 0.00 0.21 0.00 0.00 52.86 54.25 2bis s ASN 225 Cb 0.01 0.45 1.02 0.00 -0.55 0.00 0.00 41.25 42.18 2bis s ASN 225 CO 0.04 -0.08 1.87 -0.33 -2.79 0.00 0.00 177.10 175.82 2bis h GLU 226 N 5.79 0.00 0.00 0.43 5.08 -1.89 -3.05 114.58 120.93 2bis h GLU 226 Ca -0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.10 2bis h GLU 226 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 2bis h GLU 226 CO 0.37 0.22 0.00 -1.13 -1.00 0.00 0.00 179.01 177.47 2bis n SER 227 N -3.47 0.58 0.00 1.42 3.41 -1.26 0.14 113.62 114.44 2bis n SER 227 Ca -0.00 0.72 0.14 0.00 -0.26 0.00 0.00 58.87 59.46 2bis n SER 227 Cb 0.39 -0.81 0.66 0.00 -0.26 0.00 0.00 64.21 64.19 2bis n SER 227 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 2bis n TYR 228 N -2.22 0.00 -4.29 7.33 4.02 -1.15 -4.95 117.16 115.89 2bis n TYR 228 Ca -0.00 0.00 -0.23 0.00 -0.01 0.00 0.00 57.90 57.66 2bis n TYR 228 Cb 0.10 -0.39 -0.08 0.00 -0.02 0.00 0.00 39.34 38.96 2bis n TYR 228 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 2bis s LEU 229 N -2.77 3.12 -0.11 7.72 1.43 0.38 -5.09 118.68 123.36 2bis s LEU 229 Ca 0.21 -0.75 0.01 0.00 -1.03 0.00 0.00 54.13 52.57 2bis s LEU 229 Cb 0.19 -1.61 0.02 0.00 0.03 0.00 0.00 46.19 44.81 2bis s LEU 229 CO 0.47 -0.07 -0.11 0.42 0.23 0.00 0.00 176.35 177.29 2bis s THR 230 N -2.38 1.21 0.00 5.49 -4.23 -1.26 -5.03 115.64 109.44 2bis s THR 230 Ca 0.33 -0.44 0.00 0.00 -1.18 0.00 0.00 61.69 60.40 2bis s THR 230 Cb -0.05 -1.16 0.00 0.00 1.34 0.00 0.00 72.50 72.63 2bis s THR 230 CO 0.20 0.39 0.00 0.61 -0.54 0.00 0.00 174.62 175.28 2bis n GLY 231 N 4.56 -0.21 3.78 3.99 0.00 -1.26 -4.67 105.19 111.37 2bis n GLY 231 Ca -0.17 -2.28 -0.32 0.00 0.00 0.00 0.00 46.02 43.25 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 -1.34 5.25 0.17 1.61 1.04 -1.26 -4.94 113.70 114.23 2bis s SER 232 Ca 0.00 1.88 -0.16 0.00 0.48 0.00 0.00 55.95 58.15 2bis s SER 232 Cb 0.00 -2.54 0.11 0.00 0.10 0.00 0.00 66.02 63.69 2bis s SER 232 CO 0.00 -1.53 1.68 -0.09 0.98 0.00 0.00 173.24 174.28 2bis h ARG 233 N -0.10 0.05 0.00 4.02 2.43 -1.93 -2.62 114.38 116.23 2bis h ARG 233 Ca -0.46 -0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 58.66 2bis h ARG 233 Cb 1.23 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.76 2bis h ARG 233 CO 0.55 0.03 -0.22 -0.44 -1.51 0.00 0.00 179.97 178.38 2bis h ASP 234 N 0.05 0.00 0.60 -3.80 3.32 -1.92 -0.21 116.42 114.45 2bis h ASP 234 Ca 0.20 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.22 2bis h ASP 234 Cb 0.29 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.85 2bis h ASP 234 CO -0.37 0.22 -0.29 -0.33 -1.72 0.00 0.00 179.24 176.75 2bis h GLU 235 N 0.00 -0.78 -0.75 3.56 5.08 -1.86 -1.29 114.58 118.54 2bis h GLU 235 Ca -0.00 0.05 0.14 0.00 -1.00 0.00 0.00 59.36 58.55 2bis h GLU 235 Cb 0.42 0.18 -0.09 0.00 0.50 0.00 0.00 28.75 29.76 2bis h GLU 235 CO 0.03 -0.47 0.30 0.00 -1.00 0.00 0.00 179.01 177.87 2bis h ARG 236 N -1.04 0.44 -0.16 2.33 3.08 -1.15 -0.45 114.38 117.43 2bis h ARG 236 Ca -0.08 -0.03 0.03 0.00 0.07 0.00 0.00 59.98 59.97 2bis h ARG 236 Cb 0.67 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.60 2bis h ARG 236 CO 0.14 0.29 -0.01 -0.22 -1.07 0.00 0.00 179.97 179.10 2bis h LYS 237 N 0.45 0.05 0.01 0.04 3.64 -1.05 -2.21 116.57 117.50 2bis h LYS 237 Ca 0.41 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.79 2bis h LYS 237 Cb 0.60 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.39 2bis h LYS 237 CO -0.39 0.03 -0.13 -0.22 -2.27 0.00 0.00 179.45 176.47 2bis h LYS 238 N 0.05 -0.17 0.00 1.90 3.64 0.12 -1.79 116.57 120.31 2bis h LYS 238 Ca 0.08 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 2bis h LYS 238 Cb 0.10 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 2bis h LYS 238 CO -0.13 -0.11 0.00 -1.13 -2.27 0.00 0.00 179.45 175.80 2bis n SER 239 N -3.23 0.00 0.09 4.20 3.41 -0.68 -0.95 113.62 116.45 2bis n SER 239 Ca -0.02 -0.21 -0.21 0.00 -0.26 0.00 0.00 58.87 58.17 2bis n SER 239 Cb 0.10 -0.22 -0.15 0.00 -0.26 0.00 0.00 64.21 63.68 2bis n SER 239 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 2bis h LEU 240 N 0.00 0.60 -0.73 1.04 5.85 -1.29 -2.86 115.31 117.92 2bis h LEU 240 Ca 0.00 -0.79 -0.09 0.00 0.84 0.00 0.00 57.88 57.84 2bis h LEU 240 Cb 0.17 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 40.98 2bis h LEU 240 CO 0.00 1.65 -0.03 -0.07 -0.34 0.00 0.00 178.44 179.64 2bis h LEU 241 N 0.10 0.92 -1.22 2.25 3.38 -0.21 -3.17 115.31 117.36 2bis h LEU 241 Ca -0.28 -0.26 -0.04 0.00 0.09 0.00 0.00 57.88 57.39 2bis h LEU 241 Cb 2.09 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 42.57 2bis h LEU 241 CO 0.20 1.00 0.07 0.28 0.09 0.00 0.00 178.44 180.08 2bis h SER 242 N 0.86 0.56 0.10 -0.43 0.02 -1.03 0.13 113.55 113.76 2bis h SER 242 Ca 0.15 -0.09 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 2bis h SER 242 Cb 0.55 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.95 2bis h SER 242 CO 0.03 0.59 0.00 2.29 -1.14 0.00 0.00 176.83 178.60 2bis n LYS 243 N -4.30 0.73 0.00 3.45 2.85 -1.08 -2.12 118.16 117.68 2bis n LYS 243 Ca 0.02 0.01 0.03 0.00 -1.05 0.00 0.00 58.31 57.32 2bis n LYS 243 Cb 0.21 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 33.10 2bis n LYS 243 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 2bis n PHE 244 N -1.06 0.00 0.00 5.58 3.72 -0.53 -5.03 117.46 120.13 2bis n PHE 244 Ca 0.18 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.58 2bis n PHE 244 Cb 0.11 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.65 2bis n PHE 244 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2bis n GLY 245 N 0.67 2.79 1.27 1.37 0.00 0.30 -5.05 105.19 106.55 2bis n GLY 245 Ca 0.02 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.93 2bis n GLY 245 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2bis n MET 246 N -0.50 -1.70 -3.87 1.61 2.81 -0.27 -4.79 117.12 110.40 2bis n MET 246 Ca 0.00 -0.64 -0.08 0.00 -1.81 0.00 0.00 57.70 55.17 2bis n MET 246 Cb 0.00 -0.58 -0.01 0.00 -0.71 0.00 0.00 33.22 31.91 2bis n MET 246 CO 0.00 0.00 0.00 0.16 1.51 0.00 0.00 175.97 177.64 2bis s ASP 247 N -2.58 -0.10 0.00 7.83 -4.77 -1.26 -3.28 116.67 112.50 2bis s ASP 247 Ca 0.26 -0.85 0.00 0.00 -3.30 0.00 0.00 52.55 48.65 2bis s ASP 247 Cb -0.02 0.75 0.00 0.00 -1.09 0.00 0.00 42.92 42.55 2bis s ASP 247 CO 0.20 -1.43 0.00 -0.62 0.70 0.00 0.00 175.17 174.02 2bis n GLU 248 N -0.48 0.00 -3.65 2.11 4.71 -1.26 -4.92 120.64 117.15 2bis n GLU 248 Ca -0.05 0.00 -0.04 0.00 -0.01 0.00 0.00 57.16 57.06 2bis n GLU 248 Cb 0.60 0.00 -0.07 0.00 -1.01 0.00 0.00 31.44 30.96 2bis n GLU 248 CO 0.00 0.00 0.00 0.20 0.09 0.00 0.00 177.13 177.42 2bis s GLY 249 N 0.00 0.20 -0.40 0.62 0.00 -1.26 -5.03 107.32 101.45 2bis s GLY 249 Ca 0.00 3.27 -0.39 0.00 0.00 0.00 0.00 44.72 47.60 2bis s GLY 249 CO 0.00 2.01 2.12 -0.62 0.00 0.00 0.00 173.10 176.61 2bis n VAL 250 N 2.01 0.13 -3.94 1.40 0.31 -0.82 -4.55 118.33 112.87 2bis n VAL 250 Ca -0.12 -0.14 -0.35 0.00 -0.01 0.00 0.00 64.34 63.71 2bis n VAL 250 Cb 0.57 -1.18 -0.08 0.00 -0.91 0.00 0.00 33.84 32.24 2bis n VAL 250 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 2bis s THR 251 N 6.44 5.12 -0.05 2.52 2.01 -1.26 -1.08 115.64 129.34 2bis s THR 251 Ca 1.12 0.08 0.06 0.00 0.31 0.00 0.00 61.69 63.25 2bis s THR 251 Cb -1.12 -3.27 -0.02 0.00 0.01 0.00 0.00 72.50 68.10 2bis s THR 251 CO 0.57 0.53 -0.22 -0.36 -0.69 0.00 0.00 174.62 174.45 2bis s PHE 252 N -0.26 2.50 0.03 4.92 0.40 -0.58 -1.77 117.98 123.22 2bis s PHE 252 Ca 0.10 -0.52 0.07 0.00 -0.60 0.00 0.00 56.93 55.98 2bis s PHE 252 Cb -0.12 -1.60 -0.02 0.00 0.51 0.00 0.00 43.02 41.79 2bis s PHE 252 CO 0.01 -0.08 -0.20 1.41 0.70 0.00 0.00 175.22 177.06 2bis s MET 253 N -0.37 1.41 0.06 0.44 1.75 -0.36 -1.25 119.30 120.98 2bis s MET 253 Ca 0.03 -0.87 0.06 0.00 -1.25 0.00 0.00 55.69 53.66 2bis s MET 253 Cb -0.12 -1.47 -0.03 0.00 2.84 0.00 0.00 34.83 36.05 2bis s MET 253 CO 0.02 0.38 -0.17 0.12 -0.65 0.00 0.00 175.02 174.73 2bis s PHE 254 N -0.71 1.44 -0.14 4.11 5.36 -0.90 0.14 117.98 127.28 2bis s PHE 254 Ca 0.07 -0.39 -0.15 0.00 -0.96 0.00 0.00 56.93 55.50 2bis s PHE 254 Cb -0.08 -0.83 0.04 0.00 -0.34 0.00 0.00 43.02 41.80 2bis s PHE 254 CO 0.01 0.08 0.42 -1.50 -1.46 0.00 0.00 175.22 172.77 2bis s ILE 255 N -0.98 0.01 0.00 3.12 2.07 -1.26 -0.59 121.20 123.58 2bis s ILE 255 Ca 0.03 -0.06 0.00 0.00 -1.41 0.00 0.00 60.65 59.20 2bis s ILE 255 Cb -0.09 -0.61 0.00 0.00 0.13 0.00 0.00 42.46 41.89 2bis s ILE 255 CO 0.02 -0.04 0.00 0.61 -1.91 0.00 0.00 174.94 173.62 2bis n GLY 256 N 2.56 4.45 2.39 1.50 0.00 -0.99 -4.98 105.19 110.13 2bis n GLY 256 Ca -0.15 -1.13 -0.32 0.00 0.00 0.00 0.00 46.02 44.43 2bis n GLY 256 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2bis n ARG 257 N -1.15 0.00 -3.40 1.61 1.85 -1.26 -4.38 116.66 109.92 2bis n ARG 257 Ca 0.00 0.00 -0.37 0.00 -1.00 0.00 0.00 57.85 56.48 2bis n ARG 257 Cb 0.00 -0.71 -0.06 0.00 -1.05 0.00 0.00 32.46 30.63 2bis n ARG 257 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 2bis s PHE 258 N -0.93 3.50 0.17 2.89 0.40 -1.23 -4.79 117.98 118.00 2bis s PHE 258 Ca 0.44 0.78 -0.11 0.00 -0.60 0.00 0.00 56.93 57.44 2bis s PHE 258 Cb -0.57 -2.46 0.04 0.00 0.51 0.00 0.00 43.02 40.54 2bis s PHE 258 CO 0.42 0.21 0.57 -0.40 0.70 0.00 0.00 175.22 176.72 2bis n ASP 259 N 3.56 -1.23 0.00 1.36 5.68 -1.26 -2.69 116.55 121.97 2bis n ASP 259 Ca -0.09 -1.75 0.00 0.00 -0.50 0.00 0.00 54.79 52.45 2bis n ASP 259 Cb 0.52 2.03 0.00 0.00 -1.14 0.00 0.00 41.12 42.52 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 -0.39 0.00 -2.64 0.11 1.74 -1.26 -4.62 116.66 109.59 2bis n ARG 260 Ca -0.03 0.00 -0.07 0.00 -0.77 0.00 0.00 57.85 56.98 2bis n ARG 260 Cb 0.36 -0.39 0.04 0.00 -1.02 0.00 0.00 32.46 31.45 2bis n ARG 260 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2bis n GLY 261 N 0.00 2.82 0.31 -0.13 0.00 -1.26 -4.82 105.19 102.10 2bis n GLY 261 Ca 0.00 -1.46 0.00 0.00 0.00 0.00 0.00 46.02 44.56 2bis n GLY 261 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bis n GLN 262 N -0.56 0.00 -0.07 1.61 0.00 -1.26 -4.54 117.38 112.56 2bis n GLN 262 Ca 0.16 0.00 -0.15 0.00 0.00 0.00 0.00 57.00 57.01 2bis n GLN 262 Cb 0.83 -0.24 -0.04 0.00 0.00 0.00 0.00 30.24 30.79 2bis n GLN 262 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.06 177.93 2bis h LYS 263 N 0.00 0.85 0.00 2.61 1.79 -1.86 0.38 116.57 120.34 2bis h LYS 263 Ca 0.00 -0.55 0.00 0.00 -2.18 0.00 0.00 60.65 57.92 2bis h LYS 263 Cb 0.00 0.07 0.00 0.00 -1.58 0.00 0.00 32.23 30.72 2bis h LYS 263 CO 0.00 1.19 0.00 0.41 -1.08 0.00 0.00 179.45 179.97 2bis n GLY 264 N 0.40 1.06 0.32 3.86 0.00 -1.20 -2.68 105.19 106.95 2bis n GLY 264 Ca -0.05 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.10 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 0.52 -0.08 1.61 3.04 -1.89 -0.65 116.25 118.81 2bis h VAL 265 Ca 0.00 -0.16 0.01 0.00 -1.01 0.00 0.00 66.70 65.54 2bis h VAL 265 Cb 0.00 0.03 -0.02 0.00 -2.01 0.00 0.00 31.29 29.29 2bis h VAL 265 CO 0.00 0.08 -0.13 -2.24 -1.01 0.00 0.00 177.57 174.27 2bis h ASP 266 N 0.45 -0.43 -1.32 3.17 2.03 -1.89 0.34 116.42 118.77 2bis h ASP 266 Ca 0.55 0.05 0.39 0.00 -0.73 0.00 0.00 57.03 57.30 2bis h ASP 266 Cb 1.01 0.17 -0.09 0.00 -0.83 0.00 0.00 39.33 39.59 2bis h ASP 266 CO -0.50 -0.10 0.89 0.58 -1.03 0.00 0.00 179.24 179.09 2bis h VAL 267 N -0.11 0.27 0.14 4.15 2.07 -1.49 -0.16 116.25 121.12 2bis h VAL 267 Ca 0.01 -0.04 -0.01 0.00 0.82 0.00 0.00 66.70 67.48 2bis h VAL 267 Cb 0.15 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.05 2bis h VAL 267 CO -0.13 0.02 -0.07 0.25 0.02 0.00 0.00 177.57 177.67 2bis h LEU 268 N 0.13 -0.15 -0.34 2.57 5.85 -0.22 -2.05 115.31 121.09 2bis h LEU 268 Ca 0.72 -0.39 0.04 0.00 0.84 0.00 0.00 57.88 59.09 2bis h LEU 268 Cb 2.42 0.04 -0.04 0.00 0.37 0.00 0.00 40.66 43.45 2bis h LEU 268 CO -0.22 0.43 0.09 -0.07 -0.34 0.00 0.00 178.44 178.32 2bis h LEU 269 N -0.86 0.07 -2.01 2.25 3.38 0.13 0.41 115.31 118.67 2bis h LEU 269 Ca -0.02 0.05 0.15 0.00 0.09 0.00 0.00 57.88 58.15 2bis h LEU 269 Cb 0.54 0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 2bis h LEU 269 CO 0.03 0.07 0.42 0.11 0.09 0.00 0.00 178.44 179.16 2bis h LYS 270 N 0.22 0.00 0.00 1.13 1.57 -1.27 -1.18 116.57 117.05 2bis h LYS 270 Ca 0.16 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 2bis h LYS 270 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.46 2bis h LYS 270 CO -0.18 0.00 -0.73 0.00 -0.57 0.00 0.00 179.45 177.97 2bis h ALA 271 N 1.66 0.58 0.08 3.86 0.00 -0.03 -3.26 119.26 122.14 2bis h ALA 271 Ca 0.25 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 2bis h ALA 271 Cb 1.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.87 2bis h ALA 271 CO -0.00 0.00 -0.04 0.82 0.00 0.00 0.00 179.25 180.03 2bis h ILE 272 N 0.00 1.17 -1.16 0.00 2.04 0.82 -3.14 117.51 117.24 2bis h ILE 272 Ca 0.00 -1.26 0.33 0.00 1.00 0.00 0.00 64.86 64.93 2bis h ILE 272 Cb 0.86 1.95 -0.10 0.00 -0.74 0.00 0.00 36.82 38.79 2bis h ILE 272 CO 0.00 0.29 0.76 -0.33 0.00 0.00 0.00 178.15 178.88 2bis h GLU 273 N -0.73 0.23 0.00 2.37 3.07 -1.43 0.93 114.58 119.02 2bis h GLU 273 Ca -0.01 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.83 2bis h GLU 273 Cb 0.57 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 28.43 2bis h GLU 273 CO 0.02 0.15 0.00 0.82 -1.40 0.00 0.00 179.01 178.60 2bis h ILE 274 N 0.24 0.00 0.00 3.13 2.04 -1.60 -3.28 117.51 118.04 2bis h ILE 274 Ca 0.66 -0.61 -0.30 0.00 1.00 0.00 0.00 64.86 65.62 2bis h ILE 274 Cb 1.97 1.56 -0.06 0.00 -0.74 0.00 0.00 36.82 39.56 2bis h ILE 274 CO -0.28 0.00 -2.27 0.18 0.00 0.00 0.00 178.15 175.78 2bis n LEU 275 N -2.78 0.00 0.30 1.44 4.77 0.28 -4.42 117.00 116.59 2bis n LEU 275 Ca 0.03 0.00 0.19 0.00 -0.03 0.00 0.00 56.01 56.20 2bis n LEU 275 Cb 0.39 0.40 1.00 0.00 -2.33 0.00 0.00 43.42 42.87 2bis n LEU 275 CO 0.29 0.40 1.16 0.77 -1.33 0.00 0.00 177.39 178.67 2bis h SER 276 N 0.00 0.00 -0.98 -1.43 4.64 -0.32 0.11 113.55 115.58 2bis h SER 276 Ca -0.44 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.37 2bis h SER 276 Cb 1.99 0.00 -0.42 0.00 -0.31 0.00 0.00 62.40 63.66 2bis h SER 276 CO 0.02 0.00 -0.85 -1.54 -0.87 0.00 0.00 176.83 173.59 2bis n SER 277 N -3.27 4.25 -4.70 4.97 3.41 -1.26 -4.99 113.62 112.03 2bis n SER 277 Ca -0.02 -3.48 -0.25 0.00 -0.26 0.00 0.00 58.87 54.87 2bis n SER 277 Cb 0.22 -0.41 -0.08 0.00 -0.26 0.00 0.00 64.21 63.68 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 -3.57 2.18 -0.06 4.33 1.02 0.39 -5.10 119.74 118.94 2bis s LYS 278 Ca 0.46 -1.81 -0.14 0.00 0.02 0.00 0.00 55.97 54.49 2bis s LYS 278 Cb 0.40 -1.96 -0.10 0.00 -0.52 0.00 0.00 37.83 35.66 2bis s LYS 278 CO -0.04 -0.03 0.57 1.57 -0.92 0.00 0.00 175.35 176.50 2bis h LYS 279 N 1.56 -0.29 0.00 1.68 2.10 -1.94 -3.34 116.57 116.34 2bis h LYS 279 Ca -0.43 0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.24 2bis h LYS 279 Cb 1.25 0.07 0.00 0.00 -0.90 0.00 0.00 32.23 32.65 2bis h LYS 279 CO 0.70 -0.03 0.00 -0.85 -2.00 0.00 0.00 179.45 177.26 2bis n GLU 280 N -4.97 0.20 0.22 0.07 0.00 -1.26 -3.39 120.64 111.50 2bis n GLU 280 Ca -0.06 0.15 0.01 0.00 0.00 0.00 0.00 57.16 57.26 2bis n GLU 280 Cb 0.20 -1.50 0.06 0.00 0.00 0.00 0.00 31.44 30.20 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 0.00 0.00 -0.47 -1.84 3.57 -1.80 -0.51 116.94 115.90 2bis h PHE 281 Ca 0.00 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.45 2bis h PHE 281 Cb 0.09 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.81 2bis h PHE 281 CO 0.00 0.00 0.08 1.96 -2.23 0.00 0.00 178.31 178.12 2bis h GLN 282 N 0.00 0.77 0.00 1.11 1.08 -1.87 -3.21 115.11 112.99 2bis h GLN 282 Ca 0.00 -0.21 -0.02 0.00 -1.45 0.00 0.00 58.65 56.97 2bis h GLN 282 Cb 1.53 -0.09 -0.00 0.00 -0.05 0.00 0.00 27.48 28.87 2bis h GLN 282 CO 0.00 0.78 -0.11 0.93 -0.95 0.00 0.00 178.83 179.48 2bis h GLU 283 N 0.64 0.00 -6.12 1.46 5.08 -1.42 -3.45 114.58 110.77 2bis h GLU 283 Ca 0.14 0.00 -0.59 0.00 -1.00 0.00 0.00 59.36 57.91 2bis h GLU 283 Cb 0.38 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.55 2bis h GLU 283 CO 0.01 0.11 0.65 -1.64 -1.00 0.00 0.00 179.01 177.14 2bis s MET 284 N -3.32 3.93 0.20 2.33 -1.94 -1.21 -1.94 119.30 117.35 2bis s MET 284 Ca 0.04 0.74 -0.07 0.00 -1.71 0.00 0.00 55.69 54.70 2bis s MET 284 Cb 0.07 -3.77 -0.06 0.00 2.01 0.00 0.00 34.83 33.08 2bis s MET 284 CO 0.65 -0.90 0.47 1.03 -0.01 0.00 0.00 175.02 176.27 2bis s ARG 285 N 3.46 3.69 -0.36 2.03 1.81 -0.24 -4.86 118.95 124.49 2bis s ARG 285 Ca 0.40 0.07 0.00 0.00 -1.72 0.00 0.00 55.73 54.48 2bis s ARG 285 Cb -0.12 -2.73 0.14 0.00 -0.45 0.00 0.00 34.95 31.79 2bis s ARG 285 CO 0.17 0.37 0.23 -0.06 -0.68 0.00 0.00 175.30 175.33 2bis s PHE 286 N -1.79 0.62 -0.04 -0.53 0.40 -1.23 -1.53 117.98 113.88 2bis s PHE 286 Ca 0.44 -1.57 -0.19 0.00 -0.60 0.00 0.00 56.93 55.01 2bis s PHE 286 Cb -0.11 -0.85 -0.05 0.00 0.51 0.00 0.00 43.02 42.51 2bis s PHE 286 CO 0.24 -0.84 0.53 0.42 0.70 0.00 0.00 175.22 176.27 2bis s ILE 287 N 1.07 5.01 -0.06 0.64 -1.09 -0.38 -2.23 121.20 124.15 2bis s ILE 287 Ca 0.19 1.10 0.01 0.00 -2.23 0.00 0.00 60.65 59.72 2bis s ILE 287 Cb -0.21 -3.87 0.02 0.00 -1.58 0.00 0.00 42.46 36.82 2bis s ILE 287 CO -0.00 0.41 -0.08 -0.63 -1.23 0.00 0.00 174.94 173.41 2bis s ILE 288 N -0.08 0.86 0.09 2.92 -1.09 -1.05 -2.12 121.20 120.72 2bis s ILE 288 Ca 0.28 -0.30 0.05 0.00 -2.23 0.00 0.00 60.65 58.46 2bis s ILE 288 Cb -0.17 -0.83 -0.03 0.00 -1.58 0.00 0.00 42.46 39.85 2bis s ILE 288 CO 0.15 0.30 -0.14 -0.63 -1.23 0.00 0.00 174.94 173.39 2bis s ILE 289 N 0.90 1.14 0.00 2.92 1.01 0.25 -1.58 121.20 125.84 2bis s ILE 289 Ca -0.11 -1.43 0.00 0.00 0.00 0.00 0.00 60.65 59.11 2bis s ILE 289 Cb -0.15 -1.20 0.00 0.00 0.01 0.00 0.00 42.46 41.12 2bis s ILE 289 CO 0.01 -0.31 0.00 0.61 0.00 0.00 0.00 174.94 175.25 2bis n GLY 290 N 1.03 3.46 3.26 6.18 0.00 -1.12 -2.33 105.19 115.67 2bis n GLY 290 Ca -0.19 -1.79 -0.15 0.00 0.00 0.00 0.00 46.02 43.89 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 -2.50 1.10 0.00 1.61 -2.85 -1.26 -3.84 119.74 112.00 2bis s LYS 291 Ca 0.00 -1.46 0.00 0.00 -1.00 0.00 0.00 55.97 53.51 2bis s LYS 291 Cb 0.00 -0.71 0.00 0.00 -2.06 0.00 0.00 37.83 35.06 2bis s LYS 291 CO 0.00 0.10 0.00 0.41 0.10 0.00 0.00 175.35 175.96 2bis n GLY 292 N -0.19 -1.39 3.61 0.59 0.00 -1.26 -3.52 105.19 103.03 2bis n GLY 292 Ca -0.10 0.53 -0.43 0.00 0.00 0.00 0.00 46.02 46.02 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 6.25 0.37 1.61 2.15 -1.10 -4.93 116.67 117.02 2bis s ASP 293 Ca 0.00 1.26 0.16 0.00 0.43 0.00 0.00 52.55 54.39 2bis s ASP 293 Cb 0.00 -2.53 1.05 0.00 -0.30 0.00 0.00 42.92 41.14 2bis s ASP 293 CO 0.00 -1.43 1.73 -0.65 -0.17 0.00 0.00 175.17 174.65 2bis h PRO 294 N 11.22 0.42 0.52 4.34 0.11 -1.97 0.61 132.00 147.24 2bis h PRO 294 Ca -0.31 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.75 2bis h PRO 294 Cb 1.14 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.15 2bis h PRO 294 CO 1.04 0.27 -0.32 0.93 -0.21 0.00 0.00 178.00 179.71 2bis h GLU 295 N 0.43 -0.76 -0.38 1.05 5.08 -1.99 -1.25 114.58 116.76 2bis h GLU 295 Ca 0.65 0.05 -0.09 0.00 -1.00 0.00 0.00 59.36 58.97 2bis h GLU 295 Cb 1.52 0.17 -0.02 0.00 0.50 0.00 0.00 28.75 30.92 2bis h GLU 295 CO -0.41 -0.50 -0.15 -0.07 -1.00 0.00 0.00 179.01 176.87 2bis h LEU 296 N -0.78 0.69 -0.61 1.33 3.38 -1.85 0.36 115.31 117.82 2bis h LEU 296 Ca -0.07 -0.21 0.10 0.00 0.09 0.00 0.00 57.88 57.79 2bis h LEU 296 Cb 0.63 -0.19 -0.11 0.00 0.09 0.00 0.00 40.66 41.08 2bis h LEU 296 CO 0.07 0.86 -0.37 -0.33 0.09 0.00 0.00 178.44 178.76 2bis h GLU 297 N 0.62 -0.17 0.14 1.13 4.39 0.15 -1.64 114.58 119.20 2bis h GLU 297 Ca 0.10 0.01 0.01 0.00 0.34 0.00 0.00 59.36 59.82 2bis h GLU 297 Cb 0.61 0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 29.27 2bis h GLU 297 CO 0.04 -0.11 -0.38 0.78 -1.16 0.00 0.00 179.01 178.18 2bis h GLY 298 N -0.17 -1.17 1.49 -3.84 0.00 0.21 -3.15 103.07 96.44 2bis h GLY 298 Ca 0.22 0.59 0.03 0.00 0.00 0.00 0.00 47.33 48.18 2bis h GLY 298 CO -0.70 -0.33 0.22 -0.25 0.00 0.00 0.00 176.54 175.49 2bis h TRP 299 N -0.58 0.00 0.17 5.60 7.01 -0.08 -1.72 115.95 126.36 2bis h TRP 299 Ca -0.01 0.00 -0.01 0.00 2.11 0.00 0.00 58.89 60.98 2bis h TRP 299 Cb 0.56 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.63 2bis h TRP 299 CO -0.37 0.00 -0.08 0.00 -2.79 0.00 0.00 178.44 175.20 2bis h ALA 300 N 1.65 -0.57 0.00 2.65 0.00 -1.29 -3.37 119.26 118.34 2bis h ALA 300 Ca 0.05 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2bis h ALA 300 Cb 0.50 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2bis h ALA 300 CO -0.00 -0.55 0.08 0.00 0.00 0.00 0.00 179.25 178.78 2bis h ARG 301 N -0.40 0.00 0.29 0.00 -0.00 -1.27 0.72 114.38 113.71 2bis h ARG 301 Ca -0.02 0.00 -0.01 0.00 -0.50 0.00 0.00 59.98 59.44 2bis h ARG 301 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.15 2bis h ARG 301 CO 0.04 0.00 -0.14 0.66 0.00 0.00 0.00 179.97 180.53 2bis h SER 302 N 0.00 -0.33 -0.46 7.04 4.64 -1.72 -2.42 113.55 120.31 2bis h SER 302 Ca 0.00 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.25 2bis h SER 302 Cb 0.16 0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 62.32 2bis h SER 302 CO 0.00 -0.23 -0.01 -0.07 -0.87 0.00 0.00 176.83 175.65 2bis h LEU 303 N -0.39 0.80 -0.90 5.97 3.38 0.24 0.99 115.31 125.41 2bis h LEU 303 Ca -0.04 -0.31 0.22 0.00 0.09 0.00 0.00 57.88 57.84 2bis h LEU 303 Cb 0.30 -0.22 -0.16 0.00 0.09 0.00 0.00 40.66 40.67 2bis h LEU 303 CO 0.06 0.92 0.00 -0.08 0.09 0.00 0.00 178.44 179.44 2bis h GLU 304 N 0.66 0.05 0.00 1.13 4.81 -1.34 0.27 114.58 120.17 2bis h GLU 304 Ca 0.13 -0.00 -0.29 0.00 -0.13 0.00 0.00 59.36 59.06 2bis h GLU 304 Cb 0.51 -0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.83 2bis h GLU 304 CO 0.03 0.04 -1.72 -1.91 -0.73 0.00 0.00 179.01 174.71 2bis n GLU 305 N -5.43 0.64 0.00 1.92 2.13 -0.91 -4.49 120.64 114.49 2bis n GLU 305 Ca 0.19 0.30 0.00 0.00 0.66 0.00 0.00 57.16 58.30 2bis n GLU 305 Cb 0.62 -1.79 0.00 0.00 0.27 0.00 0.00 31.44 30.54 2bis n GLU 305 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 2bis n LYS 306 N -3.06 0.00 -2.80 5.31 4.81 0.34 -4.66 118.16 118.10 2bis n LYS 306 Ca -0.17 0.34 -0.41 0.00 -0.87 0.00 0.00 58.31 57.20 2bis n LYS 306 Cb 1.05 -1.33 -0.05 0.00 0.02 0.00 0.00 35.03 34.73 2bis n LYS 306 CO 0.00 0.00 0.00 -1.01 1.17 0.00 0.00 177.40 177.56 2bis s HIS 307 N -2.31 3.79 -1.70 5.64 3.76 0.02 -4.93 115.29 119.55 2bis s HIS 307 Ca 0.00 1.71 0.31 0.00 -0.15 0.00 0.00 55.06 56.92 2bis s HIS 307 Cb 0.00 -2.99 1.60 0.00 1.11 0.00 0.00 32.58 32.30 2bis s HIS 307 CO 0.00 0.22 2.08 0.41 -0.85 0.00 0.00 174.74 176.60 2bis n GLY 308 N 2.31 -1.09 0.28 -2.22 0.00 -1.26 -2.99 105.19 100.22 2bis n GLY 308 Ca 0.01 -0.19 -0.16 0.00 0.00 0.00 0.00 46.02 45.68 2bis n GLY 308 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2bis h ASN 309 N 0.16 -0.56 -3.46 1.61 -0.26 -1.91 -3.45 115.58 107.71 2bis h ASN 309 Ca 0.00 -0.02 -0.52 0.00 -0.56 0.00 0.00 56.30 55.20 2bis h ASN 309 Cb 0.20 0.15 0.00 0.00 -1.06 0.00 0.00 38.32 37.61 2bis h ASN 309 CO 0.00 -0.34 0.50 -0.69 -1.06 0.00 0.00 177.43 175.84 2bis s VAL 310 N -5.74 3.93 0.10 2.81 1.01 -1.16 -3.51 120.40 117.83 2bis s VAL 310 Ca -0.16 1.57 0.10 0.00 0.00 0.00 0.00 61.98 63.49 2bis s VAL 310 Cb 0.03 -4.00 -0.04 0.00 0.00 0.00 0.00 36.38 32.38 2bis s VAL 310 CO 0.60 0.23 -0.25 -0.75 0.00 0.00 0.00 175.10 174.93 2bis s LYS 311 N 0.04 1.42 -0.00 2.72 2.47 -0.95 -4.65 119.74 120.78 2bis s LYS 311 Ca 0.52 -1.22 0.01 0.00 -1.56 0.00 0.00 55.97 53.71 2bis s LYS 311 Cb -0.29 -1.77 -0.00 0.00 -1.46 0.00 0.00 37.83 34.31 2bis s LYS 311 CO 0.33 0.43 -0.02 0.08 0.16 0.00 0.00 175.35 176.33 2bis s VAL 312 N -1.01 0.15 -0.01 4.02 1.01 -1.26 -2.53 120.40 120.78 2bis s VAL 312 Ca 0.11 -0.08 0.02 0.00 0.00 0.00 0.00 61.98 62.03 2bis s VAL 312 Cb -0.10 -0.14 -0.00 0.00 0.00 0.00 0.00 36.38 36.14 2bis s VAL 312 CO 0.04 0.04 -0.06 -0.63 0.00 0.00 0.00 175.10 174.50 2bis s ILE 313 N -0.04 0.51 0.00 2.22 1.01 -0.61 -4.98 121.20 119.31 2bis s ILE 313 Ca 0.01 -0.25 0.17 0.00 0.00 0.00 0.00 60.65 60.57 2bis s ILE 313 Cb -0.01 -0.45 0.28 0.00 0.01 0.00 0.00 42.46 42.29 2bis s ILE 313 CO -0.00 0.16 1.09 0.35 0.00 0.00 0.00 174.94 176.54 2bis n THR 314 N 3.08 0.00 -4.26 2.92 -2.24 -1.25 -2.79 114.28 109.75 2bis n THR 314 Ca -0.15 -0.64 -0.22 0.00 -2.27 0.00 0.00 64.05 60.76 2bis n THR 314 Cb 0.57 0.81 -0.12 0.00 -2.10 0.00 0.00 70.33 69.48 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 0.00 1.05 0.31 -0.78 1.03 -1.26 -4.56 118.70 114.49 2bis s GLU 315 Ca 0.22 -1.12 -0.29 0.00 0.03 0.00 0.00 54.97 53.81 2bis s GLU 315 Cb 0.25 -1.23 -0.13 0.00 -0.80 0.00 0.00 34.13 32.22 2bis s GLU 315 CO -0.11 0.28 1.32 0.00 -1.33 0.00 0.00 175.26 175.42 2bis n MET 316 N 1.10 2.08 -4.52 -4.83 0.00 -1.26 -4.94 117.12 104.75 2bis n MET 316 Ca -0.20 0.73 -0.30 0.00 0.00 0.00 0.00 57.70 57.94 2bis n MET 316 Cb 0.54 -2.33 -0.13 0.00 0.00 0.00 0.00 33.22 31.30 2bis n MET 316 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 2bis s LEU 317 N -0.63 2.53 0.38 3.17 1.43 -1.26 -5.11 118.68 119.20 2bis s LEU 317 Ca 0.59 -0.55 -0.27 0.00 -1.03 0.00 0.00 54.13 52.87 2bis s LEU 317 Cb -0.59 -1.44 -0.11 0.00 0.03 0.00 0.00 46.19 44.07 2bis s LEU 317 CO 0.58 0.22 1.29 -1.54 0.23 0.00 0.00 176.35 177.13 2bis n SER 318 N 1.20 2.73 0.27 2.29 3.41 -1.26 -4.82 113.62 117.44 2bis n SER 318 Ca -0.16 1.16 0.09 0.00 -0.26 0.00 0.00 58.87 59.70 2bis n SER 318 Cb 0.52 -1.50 0.68 0.00 -0.26 0.00 0.00 64.21 63.65 2bis n SER 318 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 2bis h ARG 319 N 2.34 0.00 -0.94 4.33 3.08 -1.99 -0.76 114.38 120.45 2bis h ARG 319 Ca -0.47 0.00 0.04 0.00 0.07 0.00 0.00 59.98 59.62 2bis h ARG 319 Cb 1.29 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 31.28 2bis h ARG 319 CO 0.61 0.00 0.61 0.93 -1.07 0.00 0.00 179.97 181.05 2bis h GLU 320 N 0.00 1.12 -0.04 0.04 3.07 -1.99 0.31 114.58 117.09 2bis h GLU 320 Ca -0.00 -0.07 -0.18 0.00 -0.50 0.00 0.00 59.36 58.62 2bis h GLU 320 Cb 0.01 -0.25 0.01 0.00 -0.84 0.00 0.00 28.75 27.68 2bis h GLU 320 CO 0.00 0.74 -0.66 0.35 -1.40 0.00 0.00 179.01 178.04 2bis h PHE 321 N 1.16 0.75 -1.00 4.33 3.04 -1.63 -2.97 116.94 120.61 2bis h PHE 321 Ca 0.38 -0.38 0.06 0.00 3.98 0.00 0.00 57.97 62.02 2bis h PHE 321 Cb 0.05 -0.10 -0.07 0.00 2.56 0.00 0.00 35.95 38.39 2bis h PHE 321 CO -0.01 1.19 0.65 0.28 -2.02 0.00 0.00 178.31 178.39 2bis h VAL 322 N 0.10 1.09 -0.94 1.41 2.07 -0.98 0.17 116.25 119.17 2bis h VAL 322 Ca -0.07 -0.41 0.12 0.00 0.82 0.00 0.00 66.70 67.17 2bis h VAL 322 Cb 1.34 -0.19 -0.09 0.00 -1.52 0.00 0.00 31.29 30.83 2bis h VAL 322 CO 0.13 0.22 0.56 -0.09 0.02 0.00 0.00 177.57 178.41 2bis h ARG 323 N 1.18 0.85 -0.53 1.57 2.43 -0.43 -1.95 114.38 117.50 2bis h ARG 323 Ca 0.43 -0.05 -0.07 0.00 -0.81 0.00 0.00 59.98 59.48 2bis h ARG 323 Cb 0.16 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 29.50 2bis h ARG 323 CO -0.17 0.56 0.06 1.49 -1.51 0.00 0.00 179.97 180.40 2bis h GLU 324 N 0.87 0.90 0.07 0.20 4.81 -0.54 -2.94 114.58 117.95 2bis h GLU 324 Ca 0.48 -0.26 -0.00 0.00 -0.13 0.00 0.00 59.36 59.45 2bis h GLU 324 Cb 0.52 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.80 2bis h GLU 324 CO -0.29 0.89 -0.04 -0.07 -0.73 0.00 0.00 179.01 178.77 2bis h LEU 325 N 0.78 -0.11 -1.06 1.64 3.38 -0.59 -2.69 115.31 116.66 2bis h LEU 325 Ca 0.16 0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.16 2bis h LEU 325 Cb 0.45 0.03 -0.05 0.00 0.09 0.00 0.00 40.66 41.18 2bis h LEU 325 CO 0.02 -0.07 0.63 1.88 0.09 0.00 0.00 178.44 180.99 2bis h TYR 326 N -0.11 1.18 -0.03 1.13 0.99 -1.38 -0.35 116.97 118.41 2bis h TYR 326 Ca -0.01 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.75 2bis h TYR 326 Cb 0.09 -0.40 0.00 0.00 1.00 0.00 0.00 36.73 37.43 2bis h TYR 326 CO -0.08 0.70 0.00 0.41 -0.00 0.00 0.00 178.16 179.19 2bis n GLY 327 N -1.38 -0.87 0.89 3.88 0.00 -1.11 -3.56 105.19 103.04 2bis n GLY 327 Ca 0.13 -0.07 -0.03 0.00 0.00 0.00 0.00 46.02 46.04 2bis n GLY 327 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2bis n SER 328 N -0.51 0.58 -4.35 1.61 7.64 -0.32 -4.84 113.62 113.44 2bis n SER 328 Ca 0.05 0.08 -0.28 0.00 1.01 0.00 0.00 58.87 59.74 2bis n SER 328 Cb 0.05 -0.20 0.27 0.00 -1.01 0.00 0.00 64.21 63.31 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 -3.32 0.00 -0.08 0.44 0.24 -0.29 -4.47 118.33 110.85 2bis n VAL 329 Ca -0.06 -0.46 -0.17 0.00 -2.04 0.00 0.00 64.34 61.62 2bis n VAL 329 Cb 0.40 -1.00 -0.13 0.00 -1.47 0.00 0.00 33.84 31.64 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 -5.12 1.64 -3.88 -1.34 9.92 -1.02 -4.71 116.55 112.04 2bis n ASP 330 Ca 0.03 0.02 -0.11 0.00 -0.53 0.00 0.00 54.79 54.19 2bis n ASP 330 Cb 0.55 -0.30 -0.12 0.00 -0.64 0.00 0.00 41.12 40.61 2bis n ASP 330 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 2bis s PHE 331 N -2.53 0.02 -0.11 1.24 0.40 -0.73 -1.71 117.98 114.57 2bis s PHE 331 Ca -0.26 -0.04 -0.01 0.00 -0.60 0.00 0.00 56.93 56.02 2bis s PHE 331 Cb 0.08 -0.04 -0.03 0.00 0.51 0.00 0.00 43.02 43.54 2bis s PHE 331 CO 0.70 -0.10 -0.05 0.08 0.70 0.00 0.00 175.22 176.54 2bis s VAL 332 N -0.50 3.82 -0.16 -0.44 1.01 0.30 -1.22 120.40 123.20 2bis s VAL 332 Ca -0.06 -0.41 -0.05 0.00 0.00 0.00 0.00 61.98 61.46 2bis s VAL 332 Cb -0.04 -2.61 -0.03 0.00 0.00 0.00 0.00 36.38 33.70 2bis s VAL 332 CO 0.00 0.56 -0.01 -0.63 0.00 0.00 0.00 175.10 175.02 2bis s ILE 333 N -0.33 4.13 -0.42 2.22 1.01 0.38 0.13 121.20 128.32 2bis s ILE 333 Ca 0.05 -0.27 0.02 0.00 0.00 0.00 0.00 60.65 60.45 2bis s ILE 333 Cb -0.12 -2.83 0.14 0.00 0.01 0.00 0.00 42.46 39.65 2bis s ILE 333 CO 0.02 0.48 0.23 -0.63 0.00 0.00 0.00 174.94 175.05 2bis s ILE 334 N 0.37 1.09 -0.96 2.92 1.01 0.60 -4.36 121.20 121.87 2bis s ILE 334 Ca -0.02 -2.35 -0.01 0.00 0.00 0.00 0.00 60.65 58.27 2bis s ILE 334 Cb -0.14 -1.77 0.33 0.00 0.01 0.00 0.00 42.46 40.89 2bis s ILE 334 CO 0.02 -0.92 1.88 -0.81 0.00 0.00 0.00 174.94 175.11 2bis n PRO 335 N 3.67 4.51 -1.99 2.79 -0.04 -1.25 -1.45 135.00 141.23 2bis n PRO 335 Ca 0.09 -4.29 -0.31 0.00 -0.04 0.00 0.00 63.50 58.95 2bis n PRO 335 Cb 0.35 -2.40 0.00 0.00 -0.04 0.00 0.00 33.50 31.41 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 -1.31 6.31 -0.10 3.54 0.01 -1.09 -3.22 113.70 117.85 2bis s SER 336 Ca 0.44 1.44 0.02 0.00 1.31 0.00 0.00 55.95 59.16 2bis s SER 336 Cb 0.28 -2.47 -0.24 0.00 0.21 0.00 0.00 66.02 63.79 2bis s SER 336 CO -0.23 -0.81 0.44 -1.22 0.41 0.00 0.00 173.24 171.84 2bis n TYR 337 N -2.50 1.05 -3.92 2.43 4.02 0.13 -4.66 117.16 113.71 2bis n TYR 337 Ca 0.06 0.28 -0.13 0.00 -0.01 0.00 0.00 57.90 58.10 2bis n TYR 337 Cb 0.54 -1.16 -0.14 0.00 -0.02 0.00 0.00 39.34 38.56 2bis n TYR 337 CO 0.00 0.00 0.00 -0.59 -1.01 0.00 0.00 176.86 175.26 2bis s PHE 338 N -2.57 0.08 -0.16 -0.72 -0.00 -1.26 -4.85 117.98 108.51 2bis s PHE 338 Ca -0.16 -0.02 -0.05 0.00 -0.00 0.00 0.00 56.93 56.71 2bis s PHE 338 Cb 0.07 -0.05 0.06 0.00 -0.00 0.00 0.00 43.02 43.10 2bis s PHE 338 CO 0.79 -0.00 0.09 -2.00 -0.00 0.00 0.00 175.22 174.09 2bis s GLU 339 N -0.03 0.05 0.19 1.99 2.56 -1.26 -4.89 118.70 117.30 2bis s GLU 339 Ca 0.00 -0.03 -0.12 0.00 0.00 0.00 0.00 54.97 54.82 2bis s GLU 339 Cb -0.00 -1.68 0.17 0.00 2.00 0.00 0.00 34.13 34.62 2bis s GLU 339 CO -0.00 -0.63 1.77 -1.35 -0.56 0.00 0.00 175.26 174.48 2bis h PRO 340 N 8.42 0.43 0.00 4.30 0.11 -1.94 -2.47 132.00 140.85 2bis h PRO 340 Ca -0.15 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.94 2bis h PRO 340 Cb 1.15 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.16 2bis h PRO 340 CO 0.27 0.28 0.00 0.34 -0.21 0.00 0.00 178.00 178.69 2bis n PHE 341 N -4.94 0.00 0.00 0.65 -0.00 -1.26 -3.67 117.46 108.24 2bis n PHE 341 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.50 2bis n PHE 341 Cb 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 39.66 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 3.80 0.74 0.37 7.13 0.00 -1.26 -2.28 105.19 113.69 2bis n GLY 342 Ca 0.00 -0.29 0.07 0.00 0.00 0.00 0.00 46.02 45.80 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 0.82 -0.26 0.99 5.85 -1.99 -2.93 115.31 117.79 2bis h LEU 343 Ca 0.00 0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.78 2bis h LEU 343 Cb 0.00 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 40.84 2bis h LEU 343 CO 0.00 0.49 0.03 0.58 -0.34 0.00 0.00 178.44 179.20 2bis h VAL 344 N 0.91 0.85 -0.85 1.05 2.07 -1.99 0.50 116.25 118.79 2bis h VAL 344 Ca 0.42 -0.04 0.12 0.00 0.82 0.00 0.00 66.70 68.01 2bis h VAL 344 Cb 0.40 0.72 -0.06 0.00 -1.52 0.00 0.00 31.29 30.82 2bis h VAL 344 CO -0.18 0.02 0.55 0.00 0.02 0.00 0.00 177.57 177.98 2bis h ALA 345 N 1.21 1.78 -0.00 1.67 0.00 -1.93 -0.39 119.26 121.59 2bis h ALA 345 Ca 0.12 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.93 2bis h ALA 345 Cb 0.14 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 17.78 2bis h ALA 345 CO -0.18 0.02 -0.41 -0.07 0.00 0.00 0.00 179.25 178.62 2bis h LEU 346 N 0.74 0.36 -0.79 0.00 3.38 -1.21 -1.04 115.31 116.75 2bis h LEU 346 Ca 0.41 -0.77 0.12 0.00 0.09 0.00 0.00 57.88 57.72 2bis h LEU 346 Cb 0.56 -0.11 -0.08 0.00 0.09 0.00 0.00 40.66 41.12 2bis h LEU 346 CO -0.17 1.08 0.41 -0.33 0.09 0.00 0.00 178.44 179.52 2bis h GLU 347 N -0.32 0.63 0.26 1.13 5.08 -0.53 -1.00 114.58 119.83 2bis h GLU 347 Ca -0.05 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 2bis h GLU 347 Cb 1.15 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.26 2bis h GLU 347 CO 0.08 0.42 -0.13 0.00 -1.00 0.00 0.00 179.01 178.38 2bis h ALA 348 N 1.49 -0.35 -0.27 3.43 0.00 -1.06 -3.16 119.26 119.35 2bis h ALA 348 Ca 0.41 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.17 2bis h ALA 348 Cb 0.48 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 2bis h ALA 348 CO -0.30 -0.61 0.10 0.52 0.00 0.00 0.00 179.25 178.95 2bis h MET 349 N -0.53 0.37 -0.43 0.00 2.86 -0.60 -1.50 114.93 115.10 2bis h MET 349 Ca -0.04 -0.04 0.07 0.00 -2.06 0.00 0.00 59.70 57.63 2bis h MET 349 Cb 0.39 -0.07 -0.06 0.00 0.06 0.00 0.00 31.60 31.91 2bis h MET 349 CO 0.06 0.32 0.07 0.00 1.06 0.00 0.00 176.91 178.42 2bis n LEU 351 N -5.12 0.30 0.00 0.00 4.77 -0.65 -4.63 117.00 111.68 2bis n LEU 351 Ca 0.04 0.12 0.00 0.00 -0.03 0.00 0.00 56.01 56.14 2bis n LEU 351 Cb 0.21 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 41.06 2bis n LEU 351 CO 0.21 0.06 0.00 0.61 -1.33 0.00 0.00 177.39 176.94 2bis n GLY 352 N 1.31 0.36 3.77 -0.72 0.00 -0.67 -4.39 105.19 104.84 2bis n GLY 352 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 2bis n GLY 352 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bis s ALA 353 N -2.00 3.32 -0.17 4.61 0.00 -0.79 -4.57 121.76 122.16 2bis s ALA 353 Ca 0.00 1.14 -0.15 0.00 0.00 0.00 0.00 51.96 52.95 2bis s ALA 353 Cb 0.00 -3.44 -0.04 0.00 0.00 0.00 0.00 23.12 19.64 2bis s ALA 353 CO 0.00 -0.62 0.33 0.42 0.00 0.00 0.00 175.76 175.89 2bis s ILE 354 N -1.26 5.27 0.03 0.00 1.01 -0.69 -3.68 121.20 121.88 2bis s ILE 354 Ca 0.53 0.61 -0.18 0.00 0.00 0.00 0.00 60.65 61.62 2bis s ILE 354 Cb -0.36 -3.67 -0.06 0.00 0.01 0.00 0.00 42.46 38.38 2bis s ILE 354 CO 0.46 0.35 0.51 -2.16 0.00 0.00 0.00 174.94 174.10 2bis s PRO 355 N 0.69 4.11 -0.17 2.79 0.04 -1.26 0.11 135.00 141.32 2bis s PRO 355 Ca 0.18 0.61 -0.01 0.00 0.04 0.00 0.00 61.00 61.81 2bis s PRO 355 Cb -0.14 -3.25 -0.01 0.00 0.04 0.00 0.00 34.50 31.15 2bis s PRO 355 CO 0.05 0.62 -0.11 0.42 0.04 0.00 0.00 177.00 178.02 2bis s ILE 356 N -0.95 3.02 -0.10 0.56 1.01 0.36 -1.85 121.20 123.25 2bis s ILE 356 Ca 0.27 -0.65 -0.13 0.00 0.00 0.00 0.00 60.65 60.14 2bis s ILE 356 Cb -0.18 -2.30 0.03 0.00 0.01 0.00 0.00 42.46 40.02 2bis s ILE 356 CO 0.16 0.49 0.35 0.00 0.00 0.00 0.00 174.94 175.94 2bis s ALA 357 N 0.84 -0.86 0.13 9.38 0.00 0.21 -0.29 121.76 131.16 2bis s ALA 357 Ca -0.04 0.80 -0.31 0.00 0.00 0.00 0.00 51.96 52.41 2bis s ALA 357 Cb -0.15 -0.37 -0.10 0.00 0.00 0.00 0.00 23.12 22.50 2bis s ALA 357 CO 0.00 -0.20 1.71 -1.12 0.00 0.00 0.00 175.76 176.15 2bis s SER 358 N -0.31 6.50 -1.12 0.00 0.01 -0.53 -0.78 113.70 117.47 2bis s SER 358 Ca -0.04 2.67 -0.16 0.00 1.31 0.00 0.00 55.95 59.73 2bis s SER 358 Cb -0.03 -2.58 -0.07 0.00 0.21 0.00 0.00 66.02 63.55 2bis s SER 358 CO 0.02 -0.93 2.17 0.00 0.41 0.00 0.00 173.24 174.91 2bis n ALA 359 N 5.02 4.74 0.00 1.44 0.00 -1.24 -4.44 120.51 126.03 2bis n ALA 359 Ca 0.16 -3.33 0.00 0.00 0.00 0.00 0.00 53.44 50.27 2bis n ALA 359 Cb 0.38 -3.48 0.00 0.00 0.00 0.00 0.00 19.45 16.35 2bis n ALA 359 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2bis n VAL 360 N 5.16 0.00 0.00 0.00 0.24 -1.26 -4.86 118.33 117.61 2bis n VAL 360 Ca 0.53 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.83 2bis n VAL 360 Cb 0.34 -0.73 0.00 0.00 -1.47 0.00 0.00 33.84 31.97 2bis n VAL 360 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2bis n GLY 361 N 3.27 2.20 0.11 7.63 0.00 -1.24 -4.61 105.19 112.54 2bis n GLY 361 Ca 0.00 -0.04 0.10 0.00 0.00 0.00 0.00 46.02 46.08 2bis n GLY 361 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bis n GLY 362 N 4.74 -1.09 0.37 -0.02 0.00 -0.93 -1.70 105.19 106.56 2bis n GLY 362 Ca 0.00 0.08 0.13 0.00 0.00 0.00 0.00 46.02 46.23 2bis n GLY 362 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2bis h LEU 363 N 0.00 0.57 -1.32 0.99 3.38 -1.68 0.66 115.31 117.90 2bis h LEU 363 Ca 0.00 0.03 -0.07 0.00 0.09 0.00 0.00 57.88 57.93 2bis h LEU 363 Cb 0.24 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 2bis h LEU 363 CO 0.00 0.30 -0.33 -0.09 0.09 0.00 0.00 178.44 178.40 2bis h ARG 364 N 0.60 0.00 0.12 1.13 2.43 -1.58 -2.20 114.38 114.88 2bis h ARG 364 Ca 0.41 0.00 -0.35 0.00 -0.81 0.00 0.00 59.98 59.23 2bis h ARG 364 Cb 0.73 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.26 2bis h ARG 364 CO -0.17 0.33 -1.92 -0.44 -1.51 0.00 0.00 179.97 176.26 2bis h ASP 365 N 0.00 0.40 -0.31 -3.80 3.32 -1.25 -3.39 116.42 111.38 2bis h ASP 365 Ca -0.00 -0.85 -0.07 0.00 0.02 0.00 0.00 57.03 56.13 2bis h ASP 365 Cb 0.64 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.05 2bis h ASP 365 CO 0.04 1.75 -0.08 0.40 -1.72 0.00 0.00 179.24 179.64 2bis h ILE 366 N 0.07 1.28 -2.98 0.35 2.04 0.31 -3.44 117.51 115.14 2bis h ILE 366 Ca -0.39 -1.12 -0.62 0.00 1.00 0.00 0.00 64.86 63.72 2bis h ILE 366 Cb 2.04 1.36 -0.08 0.00 -0.74 0.00 0.00 36.82 39.41 2bis h ILE 366 CO 0.10 0.36 -0.36 -0.63 0.00 0.00 0.00 178.15 177.63 2bis s ILE 367 N -4.77 5.31 0.36 -0.67 1.01 -0.83 -4.99 121.20 116.62 2bis s ILE 367 Ca -0.13 0.48 0.03 0.00 0.00 0.00 0.00 60.65 61.04 2bis s ILE 367 Cb 0.09 -3.56 -0.04 0.00 0.01 0.00 0.00 42.46 38.96 2bis s ILE 367 CO 0.79 0.53 0.11 0.42 0.00 0.00 0.00 174.94 176.79 2bis s THR 368 N -0.51 0.73 0.25 2.92 -4.23 -1.26 -4.81 115.64 108.72 2bis s THR 368 Ca 0.17 -2.00 -0.10 0.00 -1.18 0.00 0.00 61.69 58.58 2bis s THR 368 Cb -0.14 -2.51 0.36 0.00 1.34 0.00 0.00 72.50 71.56 2bis s THR 368 CO 0.06 0.00 1.45 0.59 -0.54 0.00 0.00 174.62 176.18 2bis n ASN 369 N -1.04 -0.42 -1.36 3.99 3.02 -1.26 -1.26 115.26 116.94 2bis n ASN 369 Ca -0.04 1.61 0.11 0.00 -0.03 0.00 0.00 54.58 56.23 2bis n ASN 369 Cb 0.65 -0.45 0.32 0.00 -0.61 0.00 0.00 39.78 39.70 2bis n ASN 369 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 2bis n GLU 370 N -5.47 2.83 -0.04 3.52 0.00 -1.26 -4.05 120.64 116.17 2bis n GLU 370 Ca 0.13 -2.59 0.02 0.00 0.00 0.00 0.00 57.16 54.71 2bis n GLU 370 Cb 0.44 -1.61 0.02 0.00 0.00 0.00 0.00 31.44 30.29 2bis n GLU 370 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38 2bis n THR 371 N 1.49 0.88 0.00 3.84 -2.24 -0.39 -4.77 114.28 113.10 2bis n THR 371 Ca 0.24 -0.95 0.00 0.00 -2.27 0.00 0.00 64.05 61.07 2bis n THR 371 Cb 0.65 0.48 0.00 0.00 -2.10 0.00 0.00 70.33 69.36 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 -0.52 0.97 3.04 3.38 0.00 -0.98 -4.37 105.19 106.71 2bis n GLY 372 Ca 0.03 -1.89 -0.31 0.00 0.00 0.00 0.00 46.02 43.84 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 -2.85 1.84 -0.33 -0.61 1.01 -0.77 -4.53 121.20 114.96 2bis s ILE 373 Ca 0.00 -1.10 -0.12 0.00 0.00 0.00 0.00 60.65 59.44 2bis s ILE 373 Cb 0.00 -1.85 -0.01 0.00 0.01 0.00 0.00 42.46 40.61 2bis s ILE 373 CO 0.00 0.23 0.21 -0.76 0.00 0.00 0.00 174.94 174.63 2bis s LEU 374 N 1.32 4.41 -0.18 2.97 1.43 -1.26 0.68 118.68 128.05 2bis s LEU 374 Ca -0.01 -0.47 0.00 0.00 -1.03 0.00 0.00 54.13 52.63 2bis s LEU 374 Cb -0.16 -2.10 0.04 0.00 0.03 0.00 0.00 46.19 44.00 2bis s LEU 374 CO -0.09 -0.23 -0.09 0.68 0.23 0.00 0.00 176.35 176.85 2bis s VAL 375 N 1.69 1.48 0.10 -1.59 -7.23 0.04 -4.86 120.40 110.03 2bis s VAL 375 Ca 0.06 -0.85 -0.28 0.00 -1.81 0.00 0.00 61.98 59.10 2bis s VAL 375 Cb -0.17 -1.56 -0.15 0.00 0.56 0.00 0.00 36.38 35.05 2bis s VAL 375 CO 0.09 0.19 0.62 2.29 -0.31 0.00 0.00 175.10 177.99 2bis n LYS 376 N 4.75 0.00 -2.92 4.82 2.85 -1.26 -3.60 118.16 122.79 2bis n LYS 376 Ca -0.14 0.00 -0.20 0.00 -1.05 0.00 0.00 58.31 56.91 2bis n LYS 376 Cb 0.47 -1.01 0.07 0.00 -0.65 0.00 0.00 35.03 33.91 2bis n LYS 376 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2bis s ALA 377 N -0.52 4.45 -1.15 0.58 0.00 -1.26 -4.49 121.76 119.37 2bis s ALA 377 Ca 0.63 -2.03 -0.03 0.00 0.00 0.00 0.00 51.96 50.53 2bis s ALA 377 Cb -0.90 -1.60 0.00 0.00 0.00 0.00 0.00 23.12 20.62 2bis s ALA 377 CO 0.48 -0.99 0.43 0.41 0.00 0.00 0.00 175.76 176.09 2bis n GLY 378 N -2.38 -0.20 3.07 0.00 0.00 -1.26 -5.01 105.19 99.40 2bis n GLY 378 Ca 0.15 -0.12 -0.03 0.00 0.00 0.00 0.00 46.02 46.03 2bis n GLY 378 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2bis s ASP 379 N -2.77 -0.78 0.17 1.61 1.47 -1.26 -5.01 116.67 110.10 2bis s ASP 379 Ca 0.21 -0.52 0.07 0.00 1.18 0.00 0.00 52.55 53.50 2bis s ASP 379 Cb -0.09 1.61 0.40 0.00 -0.34 0.00 0.00 42.92 44.49 2bis s ASP 379 CO 0.27 -0.26 1.09 -2.65 0.68 0.00 0.00 175.17 174.29 2bis n PRO 380 N 4.89 0.05 0.27 2.11 -0.02 -1.26 -2.92 135.00 138.12 2bis n PRO 380 Ca 0.07 0.45 -0.11 0.00 -2.02 0.00 0.00 63.50 61.89 2bis n PRO 380 Cb 0.53 -1.89 -0.05 0.00 -0.02 0.00 0.00 33.50 32.06 2bis n PRO 380 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 2bis h GLY 381 N 0.00 -0.77 2.00 -1.23 0.00 -1.91 -1.16 103.07 100.00 2bis h GLY 381 Ca 0.00 0.28 -0.03 0.00 0.00 0.00 0.00 47.33 47.58 2bis h GLY 381 CO 0.00 -0.28 -0.14 -2.09 0.00 0.00 0.00 176.54 174.03 2bis h GLU 382 N -1.16 0.00 -0.13 4.80 4.81 -1.88 -1.64 114.58 119.38 2bis h GLU 382 Ca -0.07 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.14 2bis h GLU 382 Cb 0.56 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.94 2bis h GLU 382 CO 0.12 0.14 0.01 1.25 -0.73 0.00 0.00 179.01 179.80 2bis h LEU 383 N 0.00 0.22 -0.16 1.64 5.85 -1.61 -2.08 115.31 119.17 2bis h LEU 383 Ca -0.00 -0.28 0.04 0.00 0.84 0.00 0.00 57.88 58.48 2bis h LEU 383 Cb 0.64 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.56 2bis h LEU 383 CO 0.02 0.44 -0.12 0.00 -0.34 0.00 0.00 178.44 178.45 2bis h ALA 384 N 0.78 0.01 -0.66 1.25 0.00 -0.79 -1.66 119.26 118.19 2bis h ALA 384 Ca 0.04 0.06 0.10 0.00 0.00 0.00 0.00 54.91 55.11 2bis h ALA 384 Cb 0.32 0.25 -0.12 0.00 0.00 0.00 0.00 17.79 18.25 2bis h ALA 384 CO 0.00 -0.55 -0.41 -0.91 0.00 0.00 0.00 179.25 177.38 2bis h ASN 385 N -0.12 -1.44 0.26 0.00 4.21 -1.32 -3.01 115.58 114.16 2bis h ASN 385 Ca 0.10 0.25 0.00 0.00 1.21 0.00 0.00 56.30 57.86 2bis h ASN 385 Cb 0.27 0.68 -0.02 0.00 -1.12 0.00 0.00 38.32 38.12 2bis h ASN 385 CO -0.24 -0.32 -0.26 0.00 -1.29 0.00 0.00 177.43 175.33 2bis h ALA 386 N 0.81 -0.54 -1.06 -0.83 0.00 -0.77 -0.99 119.26 115.89 2bis h ALA 386 Ca 0.22 -0.08 0.41 0.00 0.00 0.00 0.00 54.91 55.45 2bis h ALA 386 Cb 0.56 0.37 -0.17 0.00 0.00 0.00 0.00 17.79 18.55 2bis h ALA 386 CO -0.74 -0.84 0.60 0.82 0.00 0.00 0.00 179.25 179.09 2bis h ILE 387 N -0.56 0.07 0.00 0.00 2.04 -1.20 0.70 117.51 118.57 2bis h ILE 387 Ca -0.01 -0.03 -0.24 0.00 1.00 0.00 0.00 64.86 65.58 2bis h ILE 387 Cb 0.51 -0.01 -0.04 0.00 -0.74 0.00 0.00 36.82 36.54 2bis h ILE 387 CO -0.05 0.01 -1.33 0.17 0.00 0.00 0.00 178.15 176.95 2bis h LEU 388 N 0.08 0.00 -1.16 1.44 8.10 -1.19 -2.18 115.31 120.40 2bis h LEU 388 Ca 0.83 0.00 -0.09 0.00 0.11 0.00 0.00 57.88 58.73 2bis h LEU 388 Cb 2.20 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 42.41 2bis h LEU 388 CO -0.68 0.98 -0.41 0.11 -4.11 0.00 0.00 178.44 174.33 2bis h LYS 389 N 0.00 0.00 0.28 0.17 1.57 0.43 -0.64 116.57 118.37 2bis h LYS 389 Ca -0.14 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.62 2bis h LYS 389 Cb 1.87 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.18 2bis h LYS 389 CO 0.10 0.41 -0.13 0.00 -0.57 0.00 0.00 179.45 179.26 2bis h ALA 390 N 1.59 -0.37 -0.84 3.86 0.00 0.26 -3.03 119.26 120.73 2bis h ALA 390 Ca -0.00 -0.14 0.16 0.00 0.00 0.00 0.00 54.91 54.93 2bis h ALA 390 Cb 0.76 0.14 -0.10 0.00 0.00 0.00 0.00 17.79 18.59 2bis h ALA 390 CO 0.05 -0.63 0.40 1.25 0.00 0.00 0.00 179.25 180.33 2bis h LEU 391 N -0.53 0.45 0.00 0.00 5.85 -1.19 -2.35 115.31 117.54 2bis h LEU 391 Ca -0.04 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.79 2bis h LEU 391 Cb 0.39 0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.47 2bis h LEU 391 CO 0.06 0.16 0.00 -0.62 -0.34 0.00 0.00 178.44 177.71 2bis n GLU 392 N -4.92 0.32 0.00 1.25 -0.58 -0.27 -2.51 120.64 113.93 2bis n GLU 392 Ca 0.17 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.91 2bis n GLU 392 Cb 0.46 -1.30 0.00 0.00 -0.57 0.00 0.00 31.44 30.03 2bis n GLU 392 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 2bis n LEU 393 N -0.80 1.43 0.00 -4.62 7.94 -0.90 -4.24 117.00 115.80 2bis n LEU 393 Ca 0.05 0.00 0.03 0.00 -1.11 0.00 0.00 56.01 54.98 2bis n LEU 393 Cb 0.02 0.00 0.17 0.00 0.53 0.00 0.00 43.42 44.14 2bis n LEU 393 CO 0.04 0.24 0.45 -1.54 -1.11 0.00 0.00 177.39 175.47 2bis n SER 394 N -2.18 0.00 -0.18 1.96 3.41 -1.05 -1.08 113.62 114.51 2bis n SER 394 Ca 0.00 -0.03 -0.10 0.00 -0.26 0.00 0.00 58.87 58.47 2bis n SER 394 Cb 0.47 -0.11 0.01 0.00 -0.26 0.00 0.00 64.21 64.31 2bis n SER 394 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 2bis h ARG 395 N 0.00 1.00 0.00 4.33 2.47 -1.73 -3.48 114.38 116.96 2bis h ARG 395 Ca 0.00 -0.37 -0.11 0.00 -1.26 0.00 0.00 59.98 58.25 2bis h ARG 395 Cb 0.02 -0.06 -0.01 0.00 -1.65 0.00 0.00 29.97 28.27 2bis h ARG 395 CO 0.00 1.05 -0.05 -1.13 0.56 0.00 0.00 179.97 180.40 2bis n SER 396 N -4.19 1.25 -4.56 7.04 3.41 -0.24 -5.02 113.62 111.31 2bis n SER 396 Ca 0.01 -1.35 -0.41 0.00 -0.26 0.00 0.00 58.87 56.86 2bis n SER 396 Cb 0.39 -0.01 -0.03 0.00 -0.26 0.00 0.00 64.21 64.30 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 -1.61 5.92 0.15 4.04 -1.08 -1.26 -4.81 116.67 118.02 2bis s ASP 397 Ca 0.06 0.00 -0.15 0.00 -0.52 0.00 0.00 52.55 51.94 2bis s ASP 397 Cb -0.00 -2.55 0.02 0.00 -1.46 0.00 0.00 42.92 38.93 2bis s ASP 397 CO 0.04 -1.93 1.79 0.25 0.52 0.00 0.00 175.17 175.84 2bis h LEU 398 N 13.92 0.53 -0.53 -1.34 5.85 -1.94 -3.31 115.31 128.49 2bis h LEU 398 Ca -0.27 -0.05 0.22 0.00 0.84 0.00 0.00 57.88 58.61 2bis h LEU 398 Cb 1.09 -0.13 -0.10 0.00 0.37 0.00 0.00 40.66 41.89 2bis h LEU 398 CO 1.23 0.42 0.26 -0.24 -0.34 0.00 0.00 178.44 179.77 2bis n SER 399 N -4.74 0.16 -0.18 1.25 2.88 -1.26 -0.06 113.62 111.67 2bis n SER 399 Ca 0.01 0.89 -0.06 0.00 -1.33 0.00 0.00 58.87 58.38 2bis n SER 399 Cb 0.05 -0.42 0.11 0.00 -0.75 0.00 0.00 64.21 63.20 2bis n SER 399 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 2bis h LYS 400 N 0.00 0.96 0.45 -1.46 3.11 -1.99 -2.58 116.57 115.06 2bis h LYS 400 Ca 0.44 -0.24 -0.02 0.00 -2.81 0.00 0.00 60.65 58.02 2bis h LYS 400 Cb 1.15 -0.12 0.00 0.00 -1.00 0.00 0.00 32.23 32.26 2bis h LYS 400 CO -0.42 0.89 -0.22 0.74 -2.81 0.00 0.00 179.45 177.64 2bis h PHE 401 N 0.91 -0.56 -0.92 1.91 -1.00 -0.73 -2.94 116.94 113.61 2bis h PHE 401 Ca 0.19 -0.01 0.20 0.00 2.81 0.00 0.00 57.97 61.15 2bis h PHE 401 Cb 0.39 0.18 -0.07 0.00 3.61 0.00 0.00 35.95 40.07 2bis h PHE 401 CO 0.03 -0.29 0.60 0.00 -1.61 0.00 0.00 178.31 177.04 2bis h ARG 402 N -0.73 0.46 0.55 1.51 3.08 -1.45 0.86 114.38 118.66 2bis h ARG 402 Ca -0.06 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 59.94 2bis h ARG 402 Cb 0.52 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.47 2bis h ARG 402 CO 0.10 0.31 -0.28 1.49 -1.07 0.00 0.00 179.97 180.52 2bis h GLU 403 N 0.48 -0.73 -0.17 0.04 4.57 -1.45 -2.50 114.58 114.81 2bis h GLU 403 Ca 0.49 0.05 0.05 0.00 -1.18 0.00 0.00 59.36 58.77 2bis h GLU 403 Cb 1.11 0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 29.86 2bis h GLU 403 CO -0.21 -0.49 0.22 -0.91 -1.18 0.00 0.00 179.01 176.44 2bis h ASN 404 N -0.76 0.00 0.02 1.04 2.35 -0.71 -2.50 115.58 115.02 2bis h ASN 404 Ca -0.07 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.68 2bis h ASN 404 Cb 0.59 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.96 2bis h ASN 404 CO 0.11 0.00 -0.01 0.00 -1.65 0.00 0.00 177.43 175.88 2bis h LYS 406 N -0.88 -0.33 -0.57 0.00 1.57 -1.13 0.15 116.57 115.37 2bis h LYS 406 Ca -0.00 0.02 0.11 0.00 -1.87 0.00 0.00 60.65 58.91 2bis h LYS 406 Cb 0.77 0.08 -0.09 0.00 0.08 0.00 0.00 32.23 33.07 2bis h LYS 406 CO 0.00 -0.22 0.04 0.87 -0.57 0.00 0.00 179.45 179.57 2bis h LYS 407 N -0.35 0.16 0.04 3.15 1.57 -1.56 -0.88 116.57 118.70 2bis h LYS 407 Ca 0.09 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.86 2bis h LYS 407 Cb 0.49 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.76 2bis h LYS 407 CO -0.30 0.10 -0.02 -0.09 -0.57 0.00 0.00 179.45 178.57 2bis h ARG 408 N 0.16 -0.05 -0.32 3.15 9.65 -0.83 -2.69 114.38 123.44 2bis h ARG 408 Ca 0.30 0.00 -0.07 0.00 -1.10 0.00 0.00 59.98 59.11 2bis h ARG 408 Cb 0.46 0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 29.04 2bis h ARG 408 CO -0.45 0.13 -0.10 0.00 2.80 0.00 0.00 179.97 182.35 2bis h ALA 409 N 0.73 1.23 -0.00 2.80 0.00 -0.46 -2.57 119.26 120.99 2bis h ALA 409 Ca -0.01 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2bis h ALA 409 Cb 0.20 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2bis h ALA 409 CO 0.01 0.50 -0.01 0.00 0.00 0.00 0.00 179.25 179.75 2bis n MET 410 N -4.21 1.06 0.00 0.00 0.00 -0.36 -1.63 117.12 111.99 2bis n MET 410 Ca 0.01 -0.18 0.13 0.00 0.00 0.00 0.00 57.70 57.65 2bis n MET 410 Cb 0.31 -1.50 0.40 0.00 0.00 0.00 0.00 33.22 32.43 2bis n MET 410 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 175.97 174.84 2bis n SER 411 N -0.81 0.76 -3.85 3.17 3.41 -0.97 -4.25 113.62 111.09 2bis n SER 411 Ca 0.22 -0.63 -0.42 0.00 -0.26 0.00 0.00 58.87 57.78 2bis n SER 411 Cb 0.17 0.10 0.01 0.00 -0.26 0.00 0.00 64.21 64.24 2bis n SER 411 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 2bis n PHE 412 N -0.94 2.47 -3.37 7.33 3.01 -0.65 -5.00 117.46 120.32 2bis n PHE 412 Ca 0.11 -2.60 -0.31 0.00 1.01 0.00 0.00 57.45 55.67 2bis n PHE 412 Cb 0.33 -1.33 -0.04 0.00 -0.01 0.00 0.00 39.48 38.43 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 -1.30 6.55 0.56 4.37 1.04 -1.26 -0.72 113.70 122.93 2bis s SER 413 Ca 0.36 0.84 0.24 0.00 0.48 0.00 0.00 55.95 57.87 2bis s SER 413 Cb 0.11 -2.19 1.57 0.00 0.10 0.00 0.00 66.02 65.60 2bis s SER 413 CO 0.01 -0.13 2.18 -0.50 0.98 0.00 0.00 173.24 175.79 2bis h TRP 414 N 2.17 0.00 -0.43 5.02 4.06 -1.88 -2.74 115.95 122.15 2bis h TRP 414 Ca -0.47 0.00 -0.07 0.00 2.06 0.00 0.00 58.89 60.41 2bis h TRP 414 Cb 1.18 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 29.32 2bis h TRP 414 CO 0.60 0.00 0.01 1.49 -3.56 0.00 0.00 178.44 176.98 2bis h GLU 415 N 0.00 0.76 -0.10 0.49 4.81 -1.94 -1.98 114.58 116.62 2bis h GLU 415 Ca 0.02 -0.24 -0.09 0.00 -0.13 0.00 0.00 59.36 58.92 2bis h GLU 415 Cb 0.11 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 2bis h GLU 415 CO -0.00 0.83 -0.35 0.87 -0.73 0.00 0.00 179.01 179.63 2bis h LYS 416 N 0.60 0.21 -0.58 1.92 1.57 -1.88 -1.19 116.57 117.22 2bis h LYS 416 Ca 0.12 -0.09 -0.01 0.00 -1.87 0.00 0.00 60.65 58.81 2bis h LYS 416 Cb 0.48 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.75 2bis h LYS 416 CO 0.02 0.54 0.32 0.77 -0.57 0.00 0.00 179.45 180.53 2bis h SER 417 N 0.18 0.72 -0.17 0.86 0.02 -1.30 0.15 113.55 114.01 2bis h SER 417 Ca 0.02 -0.09 -0.03 0.00 -0.84 0.00 0.00 61.79 60.86 2bis h SER 417 Cb 0.71 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 63.06 2bis h SER 417 CO 0.05 0.60 0.00 0.00 -1.14 0.00 0.00 176.83 176.34 2bis h ALA 418 N 1.15 0.22 -0.55 3.77 0.00 -1.17 0.31 119.26 123.00 2bis h ALA 418 Ca 0.20 -0.20 0.06 0.00 0.00 0.00 0.00 54.91 54.98 2bis h ALA 418 Cb 0.03 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.71 2bis h ALA 418 CO -0.03 -0.07 0.26 0.93 0.00 0.00 0.00 179.25 180.34 2bis h GLU 419 N 0.04 0.48 -0.24 0.00 5.08 -1.13 -0.55 114.58 118.27 2bis h GLU 419 Ca 0.05 -0.03 -0.11 0.00 -1.00 0.00 0.00 59.36 58.27 2bis h GLU 419 Cb 0.37 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 2bis h GLU 419 CO 0.01 0.32 -0.30 -0.09 -1.00 0.00 0.00 179.01 177.94 2bis h ARG 420 N 0.50 0.48 -0.72 2.33 2.43 -0.58 -2.85 114.38 115.97 2bis h ARG 420 Ca 0.25 -0.20 -0.02 0.00 -0.81 0.00 0.00 59.98 59.20 2bis h ARG 420 Cb 0.19 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.69 2bis h ARG 420 CO -0.19 0.73 0.37 1.88 -1.51 0.00 0.00 179.97 181.25 2bis h TYR 421 N 0.42 0.99 -0.54 2.20 0.99 0.32 -2.43 116.97 118.93 2bis h TYR 421 Ca 0.05 -0.03 0.05 0.00 2.00 0.00 0.00 58.73 60.80 2bis h TYR 421 Cb 0.74 -0.32 -0.05 0.00 1.00 0.00 0.00 36.73 38.11 2bis h TYR 421 CO 0.02 0.71 0.28 0.28 -0.00 0.00 0.00 178.16 179.45 2bis h VAL 422 N 1.01 0.97 -0.17 -2.88 2.07 -0.89 0.20 116.25 116.56 2bis h VAL 422 Ca 0.25 -0.19 0.04 0.00 0.82 0.00 0.00 66.70 67.62 2bis h VAL 422 Cb 0.06 0.38 -0.03 0.00 -1.52 0.00 0.00 31.29 30.17 2bis h VAL 422 CO -0.04 0.10 -0.05 0.11 0.02 0.00 0.00 177.57 177.71 2bis h LYS 423 N 0.54 -0.02 -0.98 1.57 1.57 -1.41 -2.16 116.57 115.68 2bis h LYS 423 Ca 0.24 0.00 0.12 0.00 -1.87 0.00 0.00 60.65 59.13 2bis h LYS 423 Cb 0.13 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 32.37 2bis h LYS 423 CO -0.16 -0.01 0.62 0.00 -0.57 0.00 0.00 179.45 179.34 2bis h ALA 424 N 1.15 1.56 0.00 3.86 0.00 -0.92 -1.33 119.26 123.59 2bis h ALA 424 Ca 0.09 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 2bis h ALA 424 Cb 0.14 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 2bis h ALA 424 CO -0.19 0.21 -0.04 1.88 0.00 0.00 0.00 179.25 181.11 2bis h TYR 425 N 0.96 0.00 -0.01 0.00 0.99 0.06 -1.34 116.97 117.64 2bis h TYR 425 Ca 0.48 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.21 2bis h TYR 425 Cb 0.48 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.21 2bis h TYR 425 CO -0.00 0.04 -0.31 0.25 -0.00 0.00 0.00 178.16 178.15 2bis n THR 426 N -3.49 0.00 0.00 -2.88 -2.24 -0.86 -4.92 114.28 99.90 2bis n THR 426 Ca -0.02 -0.35 0.00 0.00 -2.27 0.00 0.00 64.05 61.41 2bis n THR 426 Cb 0.16 1.21 0.00 0.00 -2.10 0.00 0.00 70.33 69.60 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 1.14 2.76 3.05 3.38 0.00 -0.51 -4.93 105.19 110.09 2bis n GLY 427 Ca 0.07 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.92 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 1.25 -3.72 1.61 7.64 -0.60 -4.78 113.62 115.02 2bis n SER 428 Ca 0.00 -2.22 -0.14 0.00 1.01 0.00 0.00 58.87 57.52 2bis n SER 428 Cb 0.00 -0.65 -0.08 0.00 -1.01 0.00 0.00 64.21 62.47 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 5.17 0.05 0.77 0.44 2.07 -1.26 -4.48 121.20 123.96 2bis s ILE 429 Ca 0.26 -0.40 -0.11 0.00 -1.41 0.00 0.00 60.65 58.99 2bis s ILE 429 Cb 0.06 -0.70 0.06 0.00 0.13 0.00 0.00 42.46 42.00 2bis s ILE 429 CO 0.08 -0.22 1.08 1.51 -1.91 0.00 0.00 174.94 175.48 2bis s ASP 430 N -1.36 4.58 0.21 4.50 -4.77 -1.26 -5.04 116.67 113.53 2bis s ASP 430 Ca -0.13 1.64 -0.22 0.00 -3.30 0.00 0.00 52.55 50.54 2bis s ASP 430 Cb -0.04 -2.39 0.05 0.00 -1.09 0.00 0.00 42.92 39.45 2bis s ASP 430 CO 0.05 -1.96 0.70 0.00 0.70 0.00 0.00 175.17 174.66 2bis s ARG 431 N -4.98 1.49 -0.05 2.11 3.03 -1.26 -4.69 118.95 114.59 2bis s ARG 431 Ca 0.61 -0.72 -0.22 0.00 2.03 0.00 0.00 55.73 57.42 2bis s ARG 431 Cb -0.16 0.58 -0.04 0.00 -1.03 0.00 0.00 34.95 34.29 2bis s ARG 431 CO 0.56 -0.67 0.64 0.00 -1.13 0.00 0.00 175.30 174.70 2bis s ALA 432 N -3.77 3.40 0.02 7.88 0.00 0.52 -4.92 121.76 124.89 2bis s ALA 432 Ca 0.07 0.07 0.06 0.00 0.00 0.00 0.00 51.96 52.15 2bis s ALA 432 Cb -0.03 -2.86 -0.02 0.00 0.00 0.00 0.00 23.12 20.21 2bis s ALA 432 CO -0.02 -0.00 -0.17 -0.06 0.00 0.00 0.00 175.76 175.51 2bis s PHE 433 N 0.44 1.50 0.18 0.00 0.08 -1.26 -1.24 117.98 117.68 2bis s PHE 433 Ca 0.34 -0.33 -0.12 0.00 0.12 0.00 0.00 56.93 56.95 2bis s PHE 433 Cb -0.18 -0.93 0.08 0.00 -0.57 0.00 0.00 43.02 41.43 2bis s PHE 433 CO 0.17 0.03 1.74 0.22 -0.10 0.00 0.00 175.22 177.27 2bis h ASP 434 N 5.26 0.84 0.37 1.36 1.82 -1.95 -2.94 116.42 121.18 2bis h ASP 434 Ca -0.38 -0.17 0.00 0.00 -0.39 0.00 0.00 57.03 56.09 2bis h ASP 434 Cb 1.16 -0.22 0.00 0.00 0.68 0.00 0.00 39.33 40.95 2bis h ASP 434 CO 0.46 0.78 0.00 2.22 -1.61 0.00 0.00 179.24 181.09 2bis n PHE 435 N -4.46 0.00 -3.93 0.28 1.16 -1.26 -4.82 117.46 104.43 2bis n PHE 435 Ca 0.04 0.00 -0.31 0.00 -1.87 0.00 0.00 57.45 55.30 2bis n PHE 435 Cb 0.16 -0.37 -0.04 0.00 -1.61 0.00 0.00 39.48 37.62 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 -2.74 5.31 0.00 1.97 1.01 -1.11 -5.31 121.20 120.33 2bis s ILE 436 Ca 0.11 -0.39 0.00 0.00 0.00 0.00 0.00 60.65 60.38 2bis s ILE 436 Cb 0.10 -3.57 0.00 0.00 0.01 0.00 0.00 42.46 39.00 2bis s ILE 436 CO 0.24 0.17 0.00 -0.11 0.00 0.00 0.00 174.94 175.25