#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 6ald s SER 3 N 0.00 5.89 -0.43 0.26 1.04 -1.26 -4.90 113.70 114.30 6ald s SER 3 Ca 0.00 -0.60 0.02 0.00 0.48 0.00 0.00 55.95 55.85 6ald s SER 3 Cb 0.00 -2.56 0.14 0.00 0.10 0.00 0.00 66.02 63.70 6ald s SER 3 CO 0.00 -2.02 0.24 -1.00 0.98 0.00 0.00 173.24 171.44 6ald s HIS 4 N 6.97 1.89 0.00 5.02 4.02 -1.26 -5.10 115.29 126.83 6ald s HIS 4 Ca 0.51 -2.37 -0.38 0.00 1.02 0.00 0.00 55.06 53.84 6ald s HIS 4 Cb -0.07 -1.81 -0.17 0.00 -1.02 0.00 0.00 32.58 29.51 6ald s HIS 4 CO 0.07 -0.78 1.38 -0.35 1.02 0.00 0.00 174.74 176.07 6ald n PRO 5 N 3.57 0.99 -0.00 8.40 -0.04 -1.26 -4.89 135.00 141.77 6ald n PRO 5 Ca 0.09 0.36 -0.07 0.00 -0.04 0.00 0.00 63.50 63.84 6ald n PRO 5 Cb 0.35 -1.99 -0.13 0.00 -0.04 0.00 0.00 33.50 31.69 6ald n PRO 5 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 6ald h ALA 6 N 4.82 0.71 -3.43 0.55 0.00 -1.99 -3.46 119.26 116.46 6ald h ALA 6 Ca -0.48 -1.30 -0.38 0.00 0.00 0.00 0.00 54.91 52.75 6ald h ALA 6 Cb 1.34 0.38 -0.22 0.00 0.00 0.00 0.00 17.79 19.30 6ald h ALA 6 CO 0.80 1.43 -0.77 -0.51 0.00 0.00 0.00 179.25 180.20 6ald s LEU 7 N -6.10 2.25 0.53 0.00 1.43 -1.26 -4.94 118.68 110.58 6ald s LEU 7 Ca -0.04 -0.56 -0.01 0.00 -1.03 0.00 0.00 54.13 52.50 6ald s LEU 7 Cb 0.08 -0.44 0.02 0.00 0.03 0.00 0.00 46.19 45.88 6ald s LEU 7 CO 0.82 -0.08 0.77 0.42 0.23 0.00 0.00 176.35 178.51 6ald s THR 8 N -1.19 3.30 0.31 5.49 -4.23 -1.26 -4.89 115.64 113.17 6ald s THR 8 Ca -0.03 -0.47 -0.00 0.00 -1.18 0.00 0.00 61.69 60.00 6ald s THR 8 Cb -0.09 -3.25 0.27 0.00 1.34 0.00 0.00 72.50 70.76 6ald s THR 8 CO 0.02 -0.20 1.96 -0.65 -0.54 0.00 0.00 174.62 175.21 6ald h PRO 9 N 0.11 1.02 -0.48 3.99 0.11 -2.01 -0.27 132.00 134.46 6ald h PRO 9 Ca -0.44 -0.06 -0.09 0.00 0.11 0.00 0.00 66.00 65.52 6ald h PRO 9 Cb 1.28 -0.23 -0.02 0.00 0.11 0.00 0.00 31.00 32.14 6ald h PRO 9 CO 0.56 0.68 -0.05 0.93 -0.21 0.00 0.00 178.00 179.90 6ald h GLU 10 N 1.05 0.84 -0.37 1.05 3.07 -1.99 -1.14 114.58 117.09 6ald h GLU 10 Ca 0.31 -0.26 -0.16 0.00 -0.50 0.00 0.00 59.36 58.76 6ald h GLU 10 Cb -0.03 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 27.79 6ald h GLU 10 CO -0.08 0.88 -0.39 1.96 -1.40 0.00 0.00 179.01 179.97 6ald h GLN 11 N 0.77 0.90 -0.60 2.33 4.20 -1.72 -2.23 115.11 118.76 6ald h GLN 11 Ca 0.14 -0.48 -0.07 0.00 0.06 0.00 0.00 58.65 58.30 6ald h GLN 11 Cb 0.54 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.31 6ald h GLN 11 CO 0.03 1.12 0.09 0.87 -0.67 0.00 0.00 178.83 180.27 6ald h LYS 12 N 0.73 1.00 -0.41 1.46 1.57 -0.87 -2.32 116.57 117.74 6ald h LYS 12 Ca 0.06 -0.27 -0.00 0.00 -1.87 0.00 0.00 60.65 58.56 6ald h LYS 12 Cb 0.98 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 33.16 6ald h LYS 12 CO 0.09 0.95 0.24 -0.22 -0.57 0.00 0.00 179.45 179.94 6ald h LYS 13 N 0.90 0.56 -0.47 3.15 3.64 -1.11 0.92 116.57 124.16 6ald h LYS 13 Ca 0.18 -0.06 0.02 0.00 -1.27 0.00 0.00 60.65 59.53 6ald h LYS 13 Cb 0.44 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.11 6ald h LYS 13 CO 0.01 0.43 0.27 1.49 -2.27 0.00 0.00 179.45 179.38 6ald h GLU 14 N 0.53 0.53 -0.23 1.90 4.81 -1.24 0.11 114.58 120.99 6ald h GLU 14 Ca 0.15 -0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 59.27 6ald h GLU 14 Cb 0.02 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.27 6ald h GLU 14 CO -0.03 0.35 -0.13 -0.07 -0.73 0.00 0.00 179.01 178.41 6ald h LEU 15 N 0.55 0.51 -0.36 1.64 3.38 -1.20 -2.11 115.31 117.72 6ald h LEU 15 Ca 0.19 -0.42 -0.01 0.00 0.09 0.00 0.00 57.88 57.72 6ald h LEU 15 Cb 0.02 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 6ald h LEU 15 CO -0.09 0.82 0.17 -1.28 0.09 0.00 0.00 178.44 178.16 6ald h SER 16 N 0.20 0.46 -0.11 -0.43 0.87 -0.67 -0.97 113.55 112.90 6ald h SER 16 Ca 0.05 -0.12 0.04 0.00 -1.23 0.00 0.00 61.79 60.53 6ald h SER 16 Cb 0.63 -0.12 -0.04 0.00 -0.44 0.00 0.00 62.40 62.44 6ald h SER 16 CO 0.04 0.45 -0.12 0.44 -0.53 0.00 0.00 176.83 177.11 6ald h ASP 17 N 0.44 -0.38 -0.47 6.23 3.32 -0.76 -1.29 116.42 123.50 6ald h ASP 17 Ca 0.12 0.07 0.02 0.00 0.02 0.00 0.00 57.03 57.27 6ald h ASP 17 Cb 0.11 0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.81 6ald h ASP 17 CO -0.02 -0.16 0.28 0.40 -1.72 0.00 0.00 179.24 178.02 6ald h ILE 18 N -0.15 1.05 -0.50 0.35 2.04 -1.23 -1.94 117.51 117.13 6ald h ILE 18 Ca 0.08 -0.19 0.03 0.00 1.00 0.00 0.00 64.86 65.78 6ald h ILE 18 Cb 0.27 0.44 -0.04 0.00 -0.74 0.00 0.00 36.82 36.75 6ald h ILE 18 CO -0.21 0.10 0.29 0.00 0.00 0.00 0.00 178.15 178.33 6ald h ALA 19 N 1.21 0.64 -0.44 1.87 0.00 -0.76 -2.58 119.26 119.21 6ald h ALA 19 Ca 0.19 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 55.00 6ald h ALA 19 Cb 0.02 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 6ald h ALA 19 CO -0.09 -0.03 -0.12 0.45 0.00 0.00 0.00 179.25 179.46 6ald h HIS 20 N 0.56 0.89 -0.38 0.00 3.86 -1.03 -3.03 115.15 116.02 6ald h HIS 20 Ca 0.21 -0.17 0.04 0.00 -1.16 0.00 0.00 60.37 59.29 6ald h HIS 20 Cb 0.06 -0.23 -0.04 0.00 1.06 0.00 0.00 27.41 28.26 6ald h HIS 20 CO -0.08 0.88 0.15 0.00 0.86 0.00 0.00 177.93 179.74 6ald h ARG 21 N 0.73 0.30 -0.87 2.45 3.08 -1.01 -0.71 114.38 118.35 6ald h ARG 21 Ca 0.12 -0.02 0.02 0.00 0.07 0.00 0.00 59.98 60.17 6ald h ARG 21 Cb 0.62 -0.07 -0.05 0.00 0.08 0.00 0.00 29.97 30.55 6ald h ARG 21 CO 0.04 0.20 0.57 0.82 -1.07 0.00 0.00 179.97 180.53 6ald h ILE 22 N 0.31 1.17 -0.46 2.04 2.04 -1.36 -2.96 117.51 118.29 6ald h ILE 22 Ca 0.17 -0.39 -0.00 0.00 1.00 0.00 0.00 64.86 65.64 6ald h ILE 22 Cb 0.13 -0.05 -0.00 0.00 -0.74 0.00 0.00 36.82 36.16 6ald h ILE 22 CO -0.16 0.20 0.00 1.33 0.00 0.00 0.00 178.15 179.53 6ald n VAL 23 N -4.52 2.61 -1.38 1.67 0.24 -1.07 -4.20 118.33 111.67 6ald n VAL 23 Ca 0.10 -1.59 -0.37 0.00 -2.04 0.00 0.00 64.34 60.44 6ald n VAL 23 Cb 0.06 -0.27 0.05 0.00 -1.47 0.00 0.00 33.84 32.21 6ald n VAL 23 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 6ald n ALA 24 N 0.19 -1.21 -1.57 2.33 0.00 -0.30 -4.69 120.51 115.27 6ald n ALA 24 Ca 0.26 -0.13 -0.58 0.00 0.00 0.00 0.00 53.44 52.99 6ald n ALA 24 Cb 1.10 -1.86 -0.08 0.00 0.00 0.00 0.00 19.45 18.61 6ald n ALA 24 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 6ald n PRO 25 N -0.45 0.35 -0.07 0.00 -0.02 -1.26 -0.54 135.00 133.01 6ald n PRO 25 Ca 0.11 0.13 0.00 0.00 -2.02 0.00 0.00 63.50 61.72 6ald n PRO 25 Cb 0.49 -1.67 0.00 0.00 -0.02 0.00 0.00 33.50 32.29 6ald n PRO 25 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 6ald n GLY 26 N 2.24 2.85 3.90 -1.23 0.00 -1.26 -5.01 105.19 106.68 6ald n GLY 26 Ca 0.21 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.91 6ald n GLY 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 6ald s LYS 27 N -0.00 3.59 0.00 1.61 1.02 0.29 -4.44 119.74 121.82 6ald s LYS 27 Ca 0.00 -0.13 0.00 0.00 0.02 0.00 0.00 55.97 55.86 6ald s LYS 27 Cb 0.00 -2.94 0.00 0.00 -0.52 0.00 0.00 37.83 34.37 6ald s LYS 27 CO 0.00 0.54 0.00 0.41 -0.92 0.00 0.00 175.35 175.38 6ald n GLY 28 N 0.39 4.46 3.19 -3.33 0.00 0.06 -4.61 105.19 105.34 6ald n GLY 28 Ca -0.05 -1.61 -0.26 0.00 0.00 0.00 0.00 46.02 44.10 6ald n GLY 28 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 6ald s ILE 29 N -1.61 1.53 -0.31 -0.61 1.01 0.90 -0.59 121.20 121.52 6ald s ILE 29 Ca 0.00 -0.82 -0.11 0.00 0.00 0.00 0.00 60.65 59.73 6ald s ILE 29 Cb 0.00 -1.28 -0.02 0.00 0.01 0.00 0.00 42.46 41.17 6ald s ILE 29 CO 0.00 0.43 0.18 -0.22 0.00 0.00 0.00 174.94 175.33 6ald s LEU 30 N -0.35 4.15 -0.72 2.97 2.96 -0.21 -2.42 118.68 125.06 6ald s LEU 30 Ca 0.05 -0.34 -0.21 0.00 -0.22 0.00 0.00 54.13 53.41 6ald s LEU 30 Cb -0.08 -2.06 0.09 0.00 0.50 0.00 0.00 46.19 44.63 6ald s LEU 30 CO -0.00 -0.16 0.97 0.00 -1.32 0.00 0.00 176.35 175.85 6ald s ALA 31 N 1.68 3.21 -0.28 5.97 0.00 0.20 -0.62 121.76 131.92 6ald s ALA 31 Ca 0.06 -2.13 0.10 0.00 0.00 0.00 0.00 51.96 49.99 6ald s ALA 31 Cb -0.17 -3.87 0.51 0.00 0.00 0.00 0.00 23.12 19.59 6ald s ALA 31 CO 0.08 -2.78 1.46 0.00 0.00 0.00 0.00 175.76 174.52 6ald n ALA 32 N 7.25 4.14 0.03 0.00 0.00 -0.04 -4.35 120.51 127.55 6ald n ALA 32 Ca 0.03 -3.05 0.06 0.00 0.00 0.00 0.00 53.44 50.48 6ald n ALA 32 Cb 0.46 -0.73 0.24 0.00 0.00 0.00 0.00 19.45 19.42 6ald n ALA 32 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 6ald n ASP 33 N -1.07 3.51 -4.66 0.00 5.68 -0.94 -3.99 116.55 115.08 6ald n ASP 33 Ca 0.32 -2.39 -0.56 0.00 -0.50 0.00 0.00 54.79 51.66 6ald n ASP 33 Cb 1.02 -0.51 -0.07 0.00 -1.14 0.00 0.00 41.12 40.41 6ald n ASP 33 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 6ald n GLU 34 N 0.57 1.08 0.00 0.11 4.71 -1.26 -4.58 120.64 121.27 6ald n GLU 34 Ca 0.17 0.39 0.00 0.00 -0.01 0.00 0.00 57.16 57.72 6ald n GLU 34 Cb 0.70 -2.05 0.00 0.00 -1.01 0.00 0.00 31.44 29.08 6ald n GLU 34 CO 0.00 0.00 0.00 -1.13 0.09 0.00 0.00 177.13 176.09 6ald n SER 35 N 4.16 -0.46 0.30 1.62 3.41 -1.26 -4.45 113.62 116.94 6ald n SER 35 Ca 0.23 -0.35 -0.13 0.00 -0.26 0.00 0.00 58.87 58.36 6ald n SER 35 Cb 0.14 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.03 6ald n SER 35 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 6ald h THR 36 N -0.98 0.00 0.00 6.66 1.35 -1.99 -1.19 112.91 116.76 6ald h THR 36 Ca 0.00 0.00 -0.02 0.00 -0.55 0.00 0.00 66.41 65.84 6ald h THR 36 Cb 0.00 0.00 -0.00 0.00 -1.73 0.00 0.00 68.15 66.42 6ald h THR 36 CO 0.00 0.00 -0.11 1.23 -0.25 0.00 0.00 175.52 176.39 6ald h GLY 37 N -0.83 0.00 0.33 5.82 0.00 -1.99 -2.46 103.07 103.94 6ald h GLY 37 Ca -0.08 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.24 6ald h GLY 37 CO 0.09 0.00 -0.11 1.76 0.00 0.00 0.00 176.54 178.28 6ald h SER 38 N 0.00 -0.25 0.61 0.19 0.02 -1.87 -3.26 113.55 108.99 6ald h SER 38 Ca -0.00 -0.21 -0.02 0.00 -0.84 0.00 0.00 61.79 60.72 6ald h SER 38 Cb 0.51 0.07 -0.00 0.00 0.14 0.00 0.00 62.40 63.12 6ald h SER 38 CO 0.01 0.27 -0.11 -0.29 -1.14 0.00 0.00 176.83 175.57 6ald h ILE 39 N -0.98 0.37 -0.51 3.27 6.09 -1.26 -2.89 117.51 121.61 6ald h ILE 39 Ca -0.03 -0.62 0.00 0.00 -1.37 0.00 0.00 64.86 62.85 6ald h ILE 39 Cb 0.45 1.45 -0.02 0.00 0.47 0.00 0.00 36.82 39.16 6ald h ILE 39 CO 0.05 0.10 0.33 0.00 -3.07 0.00 0.00 178.15 175.56 6ald h ALA 40 N 1.89 0.64 -0.37 0.18 0.00 -1.50 -1.84 119.26 118.26 6ald h ALA 40 Ca -0.00 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 6ald h ALA 40 Cb 0.44 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 6ald h ALA 40 CO 0.01 0.09 -0.07 0.87 0.00 0.00 0.00 179.25 180.15 6ald h LYS 41 N 0.68 0.62 0.79 0.00 1.79 -1.55 -1.73 116.57 117.17 6ald h LYS 41 Ca 0.18 -0.17 -0.04 0.00 -2.18 0.00 0.00 60.65 58.45 6ald h LYS 41 Cb -0.07 -0.07 0.00 0.00 -1.58 0.00 0.00 32.23 30.52 6ald h LYS 41 CO -0.04 0.69 -0.43 0.00 -1.08 0.00 0.00 179.45 178.59 6ald h ARG 42 N 0.57 -1.08 -0.22 3.15 2.47 -1.41 -1.07 114.38 116.79 6ald h ARG 42 Ca 0.11 0.07 0.06 0.00 -1.26 0.00 0.00 59.98 58.97 6ald h ARG 42 Cb 0.48 0.25 -0.01 0.00 -1.65 0.00 0.00 29.97 29.03 6ald h ARG 42 CO 0.03 -0.72 0.21 -0.07 0.56 0.00 0.00 179.97 179.98 6ald h LEU 43 N -1.12 0.00 -0.14 3.04 3.38 -1.32 -1.91 115.31 117.24 6ald h LEU 43 Ca -0.11 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.80 6ald h LEU 43 Cb 0.88 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.63 6ald h LEU 43 CO 0.14 0.00 -0.15 -0.61 0.09 0.00 0.00 178.44 177.92 6ald h GLN 44 N 0.00 0.35 0.00 1.13 4.15 -0.77 -1.06 115.11 118.91 6ald h GLN 44 Ca 0.11 -0.19 0.00 0.00 0.77 0.00 0.00 58.65 59.34 6ald h GLN 44 Cb 0.53 0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.22 6ald h GLN 44 CO -0.00 0.74 0.18 0.66 -1.93 0.00 0.00 178.83 178.48 6ald h SER 45 N -0.03 0.00 -0.97 -0.69 4.64 -0.37 -1.85 113.55 114.29 6ald h SER 45 Ca 0.02 0.00 -0.49 0.00 -0.47 0.00 0.00 61.79 60.85 6ald h SER 45 Cb 0.68 0.00 -0.42 0.00 -0.31 0.00 0.00 62.40 62.35 6ald h SER 45 CO 0.04 0.00 -0.89 2.30 -0.87 0.00 0.00 176.83 177.41 6ald n ILE 46 N -2.35 2.09 -3.65 0.95 -5.35 -1.18 -5.00 119.36 104.87 6ald n ILE 46 Ca -0.01 -4.10 -0.23 0.00 -0.27 0.00 0.00 62.75 58.14 6ald n ILE 46 Cb 0.22 -0.57 0.01 0.00 -1.74 0.00 0.00 39.64 37.55 6ald n ILE 46 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 6ald n GLY 47 N -0.54 -0.64 2.78 3.28 0.00 -0.69 -4.53 105.19 104.85 6ald n GLY 47 Ca 0.32 0.28 -0.21 0.00 0.00 0.00 0.00 46.02 46.41 6ald n GLY 47 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 6ald s THR 48 N -3.42 0.26 0.19 2.61 2.01 -0.41 -4.90 115.64 111.98 6ald s THR 48 Ca 0.16 0.14 -0.33 0.00 0.31 0.00 0.00 61.69 61.97 6ald s THR 48 Cb -0.09 -0.41 -0.14 0.00 0.01 0.00 0.00 72.50 71.88 6ald s THR 48 CO 0.57 0.21 1.51 1.21 -0.69 0.00 0.00 174.62 177.43 6ald n GLU 49 N 4.79 2.09 -2.07 4.92 2.13 -1.26 -4.19 120.64 127.05 6ald n GLU 49 Ca -0.13 0.75 -0.42 0.00 0.66 0.00 0.00 57.16 58.01 6ald n GLU 49 Cb 0.50 -2.48 0.00 0.00 0.27 0.00 0.00 31.44 29.74 6ald n GLU 49 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 6ald n ASN 50 N 2.90 4.30 -4.80 4.31 5.15 -1.26 -4.78 115.26 121.07 6ald n ASN 50 Ca 0.15 -2.87 -0.28 0.00 -0.60 0.00 0.00 54.58 50.97 6ald n ASN 50 Cb 0.30 -1.70 -0.06 0.00 -0.53 0.00 0.00 39.78 37.79 6ald n ASN 50 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 6ald s THR 51 N 3.60 4.59 0.41 -0.44 -4.23 -1.26 -5.00 115.64 113.30 6ald s THR 51 Ca 0.50 -0.89 0.09 0.00 -1.18 0.00 0.00 61.69 60.21 6ald s THR 51 Cb 0.10 -3.28 0.30 0.00 1.34 0.00 0.00 72.50 70.96 6ald s THR 51 CO -0.02 0.01 2.00 -0.08 -0.54 0.00 0.00 174.62 175.99 6ald h GLU 52 N 2.82 0.53 -0.57 3.99 4.81 -1.99 -1.16 114.58 123.00 6ald h GLU 52 Ca -0.47 -0.03 -0.11 0.00 -0.13 0.00 0.00 59.36 58.62 6ald h GLU 52 Cb 1.18 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 30.42 6ald h GLU 52 CO 0.65 0.35 -0.07 1.49 -0.73 0.00 0.00 179.01 180.71 6ald h GLU 53 N 0.55 1.05 -0.44 1.92 4.57 -1.96 0.04 114.58 120.31 6ald h GLU 53 Ca 0.24 -0.37 -0.08 0.00 -1.18 0.00 0.00 59.36 57.97 6ald h GLU 53 Cb 0.26 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.76 6ald h GLU 53 CO -0.07 1.07 -0.06 -0.91 -1.18 0.00 0.00 179.01 177.86 6ald h ASN 54 N 0.94 0.81 -0.45 1.04 2.35 -1.59 -0.30 115.58 118.37 6ald h ASN 54 Ca 0.15 -0.34 -0.02 0.00 -0.55 0.00 0.00 56.30 55.55 6ald h ASN 54 Cb 0.64 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.77 6ald h ASN 54 CO 0.04 0.95 0.22 0.03 -1.65 0.00 0.00 177.43 177.03 6ald h ARG 55 N 0.65 0.65 -0.57 0.81 3.08 -1.13 0.17 114.38 118.03 6ald h ARG 55 Ca 0.12 -0.09 -0.00 0.00 0.07 0.00 0.00 59.98 60.07 6ald h ARG 55 Cb 0.57 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.48 6ald h ARG 55 CO 0.03 0.55 0.35 -0.09 -1.07 0.00 0.00 179.97 179.74 6ald h ARG 56 N 0.59 0.77 -0.03 0.04 2.43 -0.76 -0.45 114.38 116.96 6ald h ARG 56 Ca 0.16 -0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 59.23 6ald h ARG 56 Cb 0.11 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.49 6ald h ARG 56 CO -0.02 0.54 -0.14 0.35 -1.51 0.00 0.00 179.97 179.19 6ald h PHE 57 N 0.79 0.20 -0.96 2.20 3.57 -0.37 -1.36 116.94 120.99 6ald h PHE 57 Ca 0.21 -0.08 0.02 0.00 3.53 0.00 0.00 57.97 61.64 6ald h PHE 57 Cb -0.04 -0.03 -0.05 0.00 2.79 0.00 0.00 35.95 38.62 6ald h PHE 57 CO 0.00 0.78 0.64 -0.92 -2.23 0.00 0.00 178.31 176.58 6ald h TYR 58 N -0.45 1.20 -0.12 0.41 3.20 -0.45 0.13 116.97 120.89 6ald h TYR 58 Ca -0.01 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.85 6ald h TYR 58 Cb 0.80 -0.40 -0.00 0.00 1.54 0.00 0.00 36.73 38.66 6ald h TYR 58 CO 0.15 0.73 -0.08 0.00 -1.64 0.00 0.00 178.16 177.31 6ald h ARG 59 N 1.27 0.26 -0.91 1.82 -0.00 -1.12 -2.84 114.38 112.86 6ald h ARG 59 Ca 0.37 -0.13 0.07 0.00 -0.50 0.00 0.00 59.98 59.79 6ald h ARG 59 Cb -0.08 -0.00 -0.06 0.00 0.00 0.00 0.00 29.97 29.83 6ald h ARG 59 CO -0.09 0.64 0.59 0.37 0.00 0.00 0.00 179.97 181.47 6ald h GLN 60 N -0.11 0.98 -0.82 0.04 4.15 -0.89 -0.64 115.11 117.82 6ald h GLN 60 Ca 0.02 -0.06 0.11 0.00 0.77 0.00 0.00 58.65 59.49 6ald h GLN 60 Cb 0.57 -0.22 -0.08 0.00 0.21 0.00 0.00 27.48 27.96 6ald h GLN 60 CO 0.02 0.65 0.46 1.25 -1.93 0.00 0.00 178.83 179.28 6ald h LEU 61 N 1.01 0.63 0.13 -2.39 6.46 -0.55 -0.73 115.31 119.87 6ald h LEU 61 Ca 0.40 0.06 -0.18 0.00 -0.12 0.00 0.00 57.88 58.03 6ald h LEU 61 Cb 0.23 -0.06 0.02 0.00 -0.73 0.00 0.00 40.66 40.13 6ald h LEU 61 CO -0.15 0.34 -0.79 -0.07 -0.62 0.00 0.00 178.44 177.15 6ald h LEU 62 N 0.74 0.47 -0.61 2.25 3.38 -1.02 -3.28 115.31 117.24 6ald h LEU 62 Ca 0.41 -0.94 0.00 0.00 0.09 0.00 0.00 57.88 57.44 6ald h LEU 62 Cb 0.43 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.02 6ald h LEU 62 CO -0.27 1.37 0.00 0.18 0.09 0.00 0.00 178.44 179.81 6ald n LEU 63 N -4.14 0.63 -0.78 1.67 4.77 -0.36 -3.01 117.00 115.78 6ald n LEU 63 Ca -0.13 0.65 0.07 0.00 -0.03 0.00 0.00 56.01 56.57 6ald n LEU 63 Cb 0.81 -0.56 0.18 0.00 -2.33 0.00 0.00 43.42 41.51 6ald n LEU 63 CO 0.48 -0.52 0.64 0.35 -1.33 0.00 0.00 177.39 177.01 6ald n THR 64 N -2.19 0.84 -1.42 -5.08 -2.24 -0.29 -4.66 114.28 99.23 6ald n THR 64 Ca 0.02 -0.92 -0.37 0.00 -2.27 0.00 0.00 64.05 60.52 6ald n THR 64 Cb 0.24 0.63 0.07 0.00 -2.10 0.00 0.00 70.33 69.16 6ald n THR 64 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 6ald n ALA 65 N 0.81 -0.49 -0.74 6.98 0.00 -1.16 -4.90 120.51 121.01 6ald n ALA 65 Ca 0.14 -0.13 -0.33 0.00 0.00 0.00 0.00 53.44 53.11 6ald n ALA 65 Cb 0.46 -2.03 0.14 0.00 0.00 0.00 0.00 19.45 18.02 6ald n ALA 65 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 6ald n ASP 66 N -0.93 -2.51 0.00 0.00 5.68 -1.26 -4.81 116.55 112.72 6ald n ASP 66 Ca 0.13 -0.00 0.02 0.00 -0.50 0.00 0.00 54.79 54.44 6ald n ASP 66 Cb 0.49 -0.96 0.12 0.00 -1.14 0.00 0.00 41.12 39.63 6ald n ASP 66 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 6ald n ASP 67 N -0.92 0.00 0.26 -1.12 8.00 -1.26 -2.66 116.55 118.85 6ald n ASP 67 Ca 0.02 0.16 0.11 0.00 0.71 0.00 0.00 54.79 55.78 6ald n ASP 67 Cb 0.61 -0.24 0.71 0.00 -0.02 0.00 0.00 41.12 42.19 6ald n ASP 67 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 6ald h ARG 68 N 0.00 0.00 0.00 -1.24 3.08 -2.00 -1.44 114.38 112.79 6ald h ARG 68 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 6ald h ARG 68 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.09 6ald h ARG 68 CO 0.00 0.10 -0.15 -0.24 -1.07 0.00 0.00 179.97 178.61 6ald h VAL 69 N 0.00 0.00 -0.22 2.04 3.04 -1.83 -3.39 116.25 115.89 6ald h VAL 69 Ca -0.00 -0.74 0.05 0.00 -1.01 0.00 0.00 66.70 65.00 6ald h VAL 69 Cb 0.25 1.65 -0.07 0.00 -2.01 0.00 0.00 31.29 31.10 6ald h VAL 69 CO 0.01 0.00 -0.39 0.78 -1.01 0.00 0.00 177.57 176.97 6ald h ASN 70 N 0.00 -1.24 0.59 3.17 4.21 -1.46 -0.67 115.58 120.18 6ald h ASN 70 Ca 0.00 0.18 0.00 0.00 1.21 0.00 0.00 56.30 57.69 6ald h ASN 70 Cb 0.87 0.53 0.00 0.00 -1.12 0.00 0.00 38.32 38.60 6ald h ASN 70 CO 0.00 -0.39 0.00 -0.81 -1.29 0.00 0.00 177.43 174.94 6ald n PRO 71 N -5.42 0.08 0.03 0.81 -0.04 -1.26 -2.82 135.00 126.37 6ald n PRO 71 Ca -0.02 0.32 0.01 0.00 -0.04 0.00 0.00 63.50 63.77 6ald n PRO 71 Cb 0.35 -1.66 -0.09 0.00 -0.04 0.00 0.00 33.50 32.07 6ald n PRO 71 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 6ald s ILE 73 N -2.96 3.59 -0.82 0.00 -1.09 -0.45 -0.76 121.20 118.71 6ald s ILE 73 Ca -0.03 -1.27 0.23 0.00 -2.23 0.00 0.00 60.65 57.35 6ald s ILE 73 Cb 0.09 -3.08 -0.11 0.00 -1.58 0.00 0.00 42.46 37.78 6ald s ILE 73 CO 0.82 -0.22 1.11 0.61 -1.23 0.00 0.00 174.94 176.03 6ald n GLY 74 N 4.76 -1.17 3.55 6.18 0.00 0.24 -4.33 105.19 114.42 6ald n GLY 74 Ca -0.12 -0.44 -0.10 0.00 0.00 0.00 0.00 46.02 45.36 6ald n GLY 74 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 6ald s GLY 75 N -3.30 -0.36 -0.07 -0.02 0.00 -0.99 -1.57 107.32 101.02 6ald s GLY 75 Ca 0.07 1.62 -0.03 0.00 0.00 0.00 0.00 44.72 46.38 6ald s GLY 75 CO 0.79 0.77 0.15 0.54 0.00 0.00 0.00 173.10 175.35 6ald s VAL 76 N -1.85 -0.05 -0.09 1.40 0.11 -0.74 -1.04 120.40 118.15 6ald s VAL 76 Ca 0.00 0.17 -0.17 0.00 -2.93 0.00 0.00 61.98 59.05 6ald s VAL 76 Cb -0.01 -0.24 -0.05 0.00 -1.53 0.00 0.00 36.38 34.55 6ald s VAL 76 CO -0.02 0.07 0.45 -0.63 -3.33 0.00 0.00 175.10 171.64 6ald s ILE 77 N 1.11 5.14 0.24 7.04 1.01 0.21 -1.30 121.20 134.64 6ald s ILE 77 Ca -0.09 0.90 0.11 0.00 0.00 0.00 0.00 60.65 61.58 6ald s ILE 77 Cb -0.11 -3.78 -0.05 0.00 0.01 0.00 0.00 42.46 38.53 6ald s ILE 77 CO -0.06 0.40 -0.18 -0.76 0.00 0.00 0.00 174.94 174.35 6ald s LEU 78 N 0.14 2.66 0.46 2.97 1.43 -0.06 -0.86 118.68 125.41 6ald s LEU 78 Ca 0.25 -0.87 -0.04 0.00 -1.03 0.00 0.00 54.13 52.44 6ald s LEU 78 Cb -0.15 -1.27 -0.03 0.00 0.03 0.00 0.00 46.19 44.76 6ald s LEU 78 CO 0.11 0.07 0.74 0.12 0.23 0.00 0.00 176.35 177.61 6ald s PHE 79 N -2.10 3.52 0.16 0.29 5.36 -1.26 -2.38 117.98 121.58 6ald s PHE 79 Ca 0.26 0.68 -0.27 0.00 -0.96 0.00 0.00 56.93 56.64 6ald s PHE 79 Cb -0.07 -2.23 0.00 0.00 -0.34 0.00 0.00 43.02 40.38 6ald s PHE 79 CO 0.14 -0.22 1.56 1.25 -1.46 0.00 0.00 175.22 176.49 6ald h HIS 80 N 0.33 -1.38 -0.40 10.12 6.17 -1.94 -1.85 115.15 126.19 6ald h HIS 80 Ca -0.47 0.08 0.05 0.00 0.71 0.00 0.00 60.37 60.74 6ald h HIS 80 Cb 1.21 0.68 -0.08 0.00 2.52 0.00 0.00 27.41 31.74 6ald h HIS 80 CO 0.56 -0.44 -0.55 1.49 0.71 0.00 0.00 177.93 179.71 6ald h GLU 81 N -0.26 -0.37 -0.96 5.26 4.81 -1.99 -1.93 114.58 119.14 6ald h GLU 81 Ca 0.16 0.03 0.16 0.00 -0.13 0.00 0.00 59.36 59.58 6ald h GLU 81 Cb 0.57 0.08 -0.10 0.00 0.63 0.00 0.00 28.75 29.93 6ald h GLU 81 CO -0.68 -0.25 0.56 1.15 -0.73 0.00 0.00 179.01 179.07 6ald h THR 82 N -0.39 0.75 0.00 0.32 2.02 -1.80 -0.45 112.91 113.36 6ald h THR 82 Ca 0.07 -0.26 0.00 0.00 0.77 0.00 0.00 66.41 66.99 6ald h THR 82 Cb 0.58 -0.08 0.00 0.00 -1.74 0.00 0.00 68.15 66.91 6ald h THR 82 CO -0.58 0.14 0.10 0.25 0.37 0.00 0.00 175.52 175.80 6ald h LEU 83 N 0.77 0.00 -3.03 2.58 5.85 -0.55 -0.90 115.31 120.03 6ald h LEU 83 Ca 0.53 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.25 6ald h LEU 83 Cb 0.75 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.78 6ald h LEU 83 CO -0.36 0.00 0.00 -1.22 -0.34 0.00 0.00 178.44 176.52 6ald n TYR 84 N -2.46 0.17 -3.19 1.25 4.01 -0.19 -4.62 117.16 112.14 6ald n TYR 84 Ca -0.02 -0.81 -0.19 0.00 -0.16 0.00 0.00 57.90 56.73 6ald n TYR 84 Cb 0.14 -0.14 0.01 0.00 -0.31 0.00 0.00 39.34 39.04 6ald n TYR 84 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 6ald s GLN 85 N -2.21 2.96 0.15 -0.72 -0.21 -0.34 -5.00 119.66 114.29 6ald s GLN 85 Ca 0.24 -1.02 0.06 0.00 0.02 0.00 0.00 55.36 54.66 6ald s GLN 85 Cb 0.20 -2.74 -0.04 0.00 1.00 0.00 0.00 33.01 31.42 6ald s GLN 85 CO 0.04 -0.16 -0.13 0.15 -2.12 0.00 0.00 175.29 173.07 6ald s LYS 86 N -4.33 1.11 0.75 2.91 1.02 -1.26 -1.64 119.74 118.30 6ald s LYS 86 Ca 0.50 -1.40 -0.12 0.00 0.02 0.00 0.00 55.97 54.97 6ald s LYS 86 Cb -0.10 -0.86 0.04 0.00 -0.52 0.00 0.00 37.83 36.39 6ald s LYS 86 CO 0.33 0.14 1.11 0.00 -0.92 0.00 0.00 175.35 176.02 6ald s ALA 87 N -2.76 2.69 0.53 5.17 0.00 0.18 -4.85 121.76 122.72 6ald s ALA 87 Ca 0.15 -0.37 0.37 0.00 0.00 0.00 0.00 51.96 52.11 6ald s ALA 87 Cb -0.01 -3.03 1.54 0.00 0.00 0.00 0.00 23.12 21.61 6ald s ALA 87 CO 0.03 -1.38 1.75 -0.44 0.00 0.00 0.00 175.76 175.72 6ald h ASP 88 N -0.83 0.06 -0.20 0.00 3.32 -1.97 0.53 116.42 117.32 6ald h ASP 88 Ca -0.46 0.02 -0.00 0.00 0.02 0.00 0.00 57.03 56.60 6ald h ASP 88 Cb 1.27 0.01 -0.00 0.00 0.22 0.00 0.00 39.33 40.83 6ald h ASP 88 CO 0.63 -0.00 0.01 -0.90 -1.72 0.00 0.00 179.24 177.25 6ald n ASP 89 N -4.21 2.62 -0.09 6.45 5.75 -1.26 -4.84 116.55 120.98 6ald n ASP 89 Ca 0.29 -2.32 -0.01 0.00 -0.01 0.00 0.00 54.79 52.74 6ald n ASP 89 Cb 1.36 -0.57 -0.00 0.00 -1.03 0.00 0.00 41.12 40.88 6ald n ASP 89 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 6ald n GLY 90 N 0.20 0.29 3.67 6.12 0.00 0.18 -4.96 105.19 110.70 6ald n GLY 90 Ca 0.10 -0.04 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 6ald n GLY 90 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 6ald s ARG 91 N -1.42 4.31 0.32 1.61 3.52 -1.23 -4.75 118.95 121.31 6ald s ARG 91 Ca 0.00 1.00 -0.29 0.00 -0.13 0.00 0.00 55.73 56.31 6ald s ARG 91 Cb 0.00 -3.56 -0.12 0.00 -1.56 0.00 0.00 34.95 29.71 6ald s ARG 91 CO 0.00 -0.30 1.45 -2.30 -0.81 0.00 0.00 175.30 173.35 6ald n PRO 92 N 5.11 2.44 -0.26 5.12 -0.02 -1.26 0.49 135.00 146.61 6ald n PRO 92 Ca 0.04 0.86 0.06 0.00 -2.02 0.00 0.00 63.50 62.44 6ald n PRO 92 Cb 0.49 -2.55 0.20 0.00 -0.02 0.00 0.00 33.50 31.61 6ald n PRO 92 CO 0.00 0.00 0.00 0.74 1.98 0.00 0.00 175.50 178.22 6ald h PHE 93 N 3.56 0.53 -0.45 6.00 0.04 -1.59 0.21 116.94 125.25 6ald h PHE 93 Ca -0.47 0.04 0.12 0.00 2.80 0.00 0.00 57.97 60.45 6ald h PHE 93 Cb 1.25 -0.12 -0.02 0.00 2.20 0.00 0.00 35.95 39.27 6ald h PHE 93 CO 0.54 0.06 0.32 -1.35 -0.60 0.00 0.00 178.31 177.28 6ald h PRO 94 N 0.45 0.04 -0.05 1.51 0.11 -1.84 -0.33 132.00 131.88 6ald h PRO 94 Ca 0.43 -0.00 -0.24 0.00 0.11 0.00 0.00 66.00 66.30 6ald h PRO 94 Cb 0.66 -0.01 0.01 0.00 0.11 0.00 0.00 31.00 31.78 6ald h PRO 94 CO -0.41 0.03 -0.91 0.37 -0.21 0.00 0.00 178.00 176.86 6ald h GLN 95 N 0.05 0.64 0.65 1.05 4.15 -0.95 -1.72 115.11 118.98 6ald h GLN 95 Ca 0.21 -0.62 -0.03 0.00 0.77 0.00 0.00 58.65 58.98 6ald h GLN 95 Cb 0.79 0.16 0.00 0.00 0.21 0.00 0.00 27.48 28.65 6ald h GLN 95 CO -0.01 1.23 -0.33 0.28 -1.93 0.00 0.00 178.83 178.06 6ald h VAL 96 N 0.39 0.33 -0.03 2.39 2.07 -0.33 0.14 116.25 121.21 6ald h VAL 96 Ca -0.09 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.47 6ald h VAL 96 Cb 1.55 0.33 -0.06 0.00 -1.52 0.00 0.00 31.29 31.59 6ald h VAL 96 CO 0.18 0.00 -0.43 0.40 0.02 0.00 0.00 177.57 177.74 6ald h ILE 97 N -0.90 0.14 -0.63 4.57 2.04 -1.31 -2.44 117.51 118.98 6ald h ILE 97 Ca -0.09 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.86 6ald h ILE 97 Cb 0.70 0.14 -0.07 0.00 -0.74 0.00 0.00 36.82 36.85 6ald h ILE 97 CO 0.14 0.00 0.27 0.50 0.00 0.00 0.00 178.15 179.05 6ald h LYS 98 N -0.56 0.46 -0.02 2.37 3.64 -1.20 -0.31 116.57 120.94 6ald h LYS 98 Ca 0.05 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.41 6ald h LYS 98 Cb 0.65 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 32.37 6ald h LYS 98 CO -0.34 0.30 0.06 0.66 -2.27 0.00 0.00 179.45 177.87 6ald h SER 99 N 0.47 0.00 -0.58 4.20 4.64 -0.25 0.20 113.55 122.23 6ald h SER 99 Ca 0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 6ald h SER 99 Cb 0.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 6ald h SER 99 CO -0.28 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 175.97 6ald n LYS 100 N -3.35 2.96 -0.90 4.77 5.02 -0.18 -4.91 118.16 121.56 6ald n LYS 100 Ca -0.02 -2.35 0.00 0.00 -2.02 0.00 0.00 58.31 53.92 6ald n LYS 100 Cb 0.14 -1.67 0.00 0.00 -0.02 0.00 0.00 35.03 33.48 6ald n LYS 100 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 6ald n GLY 101 N 1.21 0.53 3.93 0.72 0.00 0.72 -4.71 105.19 107.59 6ald n GLY 101 Ca 0.21 -0.15 -0.28 0.00 0.00 0.00 0.00 46.02 45.80 6ald n GLY 101 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 6ald s GLY 102 N -2.14 1.91 -0.03 -0.02 0.00 -0.88 -4.81 107.32 101.35 6ald s GLY 102 Ca 0.00 -0.84 -0.13 0.00 0.00 0.00 0.00 44.72 43.76 6ald s GLY 102 CO 0.00 -0.80 0.34 0.14 0.00 0.00 0.00 173.10 172.77 6ald s VAL 103 N -1.75 5.16 -0.15 1.40 1.01 -0.61 -3.53 120.40 121.94 6ald s VAL 103 Ca 0.37 0.66 -0.18 0.00 0.00 0.00 0.00 61.98 62.83 6ald s VAL 103 Cb -0.12 -3.63 -0.04 0.00 0.00 0.00 0.00 36.38 32.60 6ald s VAL 103 CO 0.28 0.58 0.50 -0.69 0.00 0.00 0.00 175.10 175.77 6ald s VAL 104 N -1.08 5.15 0.22 2.92 1.01 -1.26 -1.79 120.40 125.58 6ald s VAL 104 Ca 0.22 0.97 0.10 0.00 0.00 0.00 0.00 61.98 63.26 6ald s VAL 104 Cb -0.15 -3.83 -0.04 0.00 0.00 0.00 0.00 36.38 32.35 6ald s VAL 104 CO 0.11 0.27 -0.11 -0.83 0.00 0.00 0.00 175.10 174.53 6ald s GLY 105 N 0.84 1.73 -0.03 4.51 0.00 -0.42 -0.06 107.32 113.89 6ald s GLY 105 Ca 0.25 -1.61 0.00 0.00 0.00 0.00 0.00 44.72 43.37 6ald s GLY 105 CO 0.10 -1.65 0.01 -1.50 0.00 0.00 0.00 173.10 170.05 6ald s ILE 106 N -1.98 0.15 -0.03 0.90 1.10 -0.17 -0.88 121.20 120.29 6ald s ILE 106 Ca 0.27 0.11 -0.30 0.00 -0.51 0.00 0.00 60.65 60.22 6ald s ILE 106 Cb -0.07 -0.26 -0.04 0.00 0.15 0.00 0.00 42.46 42.24 6ald s ILE 106 CO 0.15 0.14 1.28 -0.75 -2.11 0.00 0.00 174.94 173.65 6ald s LYS 107 N 1.08 4.33 0.00 3.50 2.20 -1.00 -1.33 119.74 128.52 6ald s LYS 107 Ca -0.09 1.79 0.07 0.00 -0.36 0.00 0.00 55.97 57.38 6ald s LYS 107 Cb -0.13 -3.54 -0.03 0.00 -1.51 0.00 0.00 37.83 32.61 6ald s LYS 107 CO -0.02 -0.48 0.44 1.33 -0.36 0.00 0.00 175.35 176.26 6ald n VAL 108 N 4.58 0.00 -1.84 4.02 0.24 -0.25 -4.65 118.33 120.42 6ald n VAL 108 Ca 0.12 -0.39 -0.31 0.00 -2.04 0.00 0.00 64.34 61.71 6ald n VAL 108 Cb 0.45 1.05 0.01 0.00 -1.47 0.00 0.00 33.84 33.89 6ald n VAL 108 CO 0.00 0.00 0.00 1.51 -2.14 0.00 0.00 176.83 176.20 6ald s ASP 109 N -1.32 6.13 -0.35 -1.34 1.47 -1.24 -4.80 116.67 115.23 6ald s ASP 109 Ca 0.05 1.44 0.06 0.00 1.18 0.00 0.00 52.55 55.28 6ald s ASP 109 Cb 0.06 -2.47 0.48 0.00 -0.34 0.00 0.00 42.92 40.65 6ald s ASP 109 CO 0.22 -0.93 1.46 0.29 0.68 0.00 0.00 175.17 176.88 6ald n LYS 110 N -2.79 2.56 0.00 2.11 5.02 0.14 -4.93 118.16 120.26 6ald n LYS 110 Ca 0.06 -3.55 0.00 0.00 -2.02 0.00 0.00 58.31 52.80 6ald n LYS 110 Cb 0.54 -2.04 0.00 0.00 -0.02 0.00 0.00 35.03 33.51 6ald n LYS 110 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 6ald n GLY 111 N -0.95 -1.38 3.86 0.72 0.00 -1.26 -4.67 105.19 101.51 6ald n GLY 111 Ca 0.41 -1.58 -0.31 0.00 0.00 0.00 0.00 46.02 44.54 6ald n GLY 111 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 6ald s VAL 112 N -2.43 4.68 0.04 1.61 -7.23 -1.26 -1.66 120.40 114.14 6ald s VAL 112 Ca 0.00 0.89 0.05 0.00 -1.81 0.00 0.00 61.98 61.10 6ald s VAL 112 Cb 0.00 -3.70 -0.02 0.00 0.56 0.00 0.00 36.38 33.22 6ald s VAL 112 CO 0.00 -0.50 -0.13 0.68 -0.31 0.00 0.00 175.10 174.83 6ald s VAL 113 N -2.37 1.05 0.33 1.32 -7.23 0.23 -4.90 120.40 108.84 6ald s VAL 113 Ca 0.54 -0.96 -0.29 0.00 -1.81 0.00 0.00 61.98 59.47 6ald s VAL 113 Cb -0.10 -0.96 -0.11 0.00 0.56 0.00 0.00 36.38 35.78 6ald s VAL 113 CO 0.28 0.00 1.40 -2.16 -0.31 0.00 0.00 175.10 174.31 6ald s PRO 114 N -1.09 4.25 -0.35 4.82 0.04 -1.26 -1.55 135.00 139.86 6ald s PRO 114 Ca 0.01 2.37 -0.17 0.00 0.04 0.00 0.00 61.00 63.25 6ald s PRO 114 Cb -0.08 -3.04 -0.01 0.00 0.04 0.00 0.00 34.50 31.42 6ald s PRO 114 CO 0.01 -0.36 0.48 -1.17 0.04 0.00 0.00 177.00 175.99 6ald s LEU 115 N -1.60 4.37 0.38 -3.56 2.96 0.52 -4.84 118.68 116.90 6ald s LEU 115 Ca 0.53 -0.07 -0.27 0.00 -0.22 0.00 0.00 54.13 54.09 6ald s LEU 115 Cb -0.43 -2.53 -0.10 0.00 0.50 0.00 0.00 46.19 43.64 6ald s LEU 115 CO 0.55 -0.44 1.36 0.00 -1.32 0.00 0.00 176.35 176.49 6ald s ALA 116 N 2.30 3.41 0.00 5.97 0.00 -1.26 -2.64 121.76 129.54 6ald s ALA 116 Ca 0.17 1.35 0.00 0.00 0.00 0.00 0.00 51.96 53.48 6ald s ALA 116 Cb -0.16 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.44 6ald s ALA 116 CO 0.13 -0.86 0.00 0.41 0.00 0.00 0.00 175.76 175.44 6ald n GLY 117 N 0.65 0.67 3.73 0.00 0.00 -1.26 -5.03 105.19 103.94 6ald n GLY 117 Ca 0.02 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.78 6ald n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 6ald s THR 118 N -2.51 2.13 -1.20 2.61 -4.23 -1.08 -5.06 115.64 106.30 6ald s THR 118 Ca 0.00 -1.76 -0.11 0.00 -1.18 0.00 0.00 61.69 58.65 6ald s THR 118 Cb 0.00 -2.89 0.21 0.00 1.34 0.00 0.00 72.50 71.15 6ald s THR 118 CO 0.00 0.00 1.50 -3.20 -0.54 0.00 0.00 174.62 172.38 6ald n ASN 119 N -1.22 5.38 -0.96 3.99 5.15 -1.26 -4.52 115.26 121.82 6ald n ASN 119 Ca -0.03 -3.07 -0.13 0.00 -0.60 0.00 0.00 54.58 50.75 6ald n ASN 119 Cb 0.65 -1.48 -0.05 0.00 -0.53 0.00 0.00 39.78 38.37 6ald n ASN 119 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 6ald n GLY 120 N 3.19 1.34 3.91 8.20 0.00 -1.26 -5.00 105.19 115.56 6ald n GLY 120 Ca 0.34 -0.41 -0.27 0.00 0.00 0.00 0.00 46.02 45.68 6ald n GLY 120 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 6ald s GLU 121 N -3.04 3.44 0.35 1.61 2.02 -1.26 -4.95 118.70 116.86 6ald s GLU 121 Ca 0.00 0.19 0.05 0.00 0.02 0.00 0.00 54.97 55.23 6ald s GLU 121 Cb 0.00 -2.34 -0.02 0.00 0.10 0.00 0.00 34.13 31.87 6ald s GLU 121 CO 0.00 -0.31 0.36 0.95 0.02 0.00 0.00 175.26 176.27 6ald s THR 122 N -2.81 0.00 0.30 3.63 -4.23 -1.26 -0.36 115.64 110.91 6ald s THR 122 Ca 0.49 -1.87 -0.02 0.00 -1.18 0.00 0.00 61.69 59.11 6ald s THR 122 Cb -0.10 -2.57 -0.01 0.00 1.34 0.00 0.00 72.50 71.16 6ald s THR 122 CO 0.45 0.00 0.38 0.28 -0.54 0.00 0.00 174.62 175.19 6ald s THR 123 N -3.22 0.00 0.09 3.99 -1.32 -0.60 -4.82 115.64 109.77 6ald s THR 123 Ca 0.38 -1.71 0.07 0.00 -1.21 0.00 0.00 61.69 59.22 6ald s THR 123 Cb 0.01 -2.52 -0.03 0.00 -1.51 0.00 0.00 72.50 68.45 6ald s THR 123 CO 0.27 0.00 -0.19 0.42 -2.21 0.00 0.00 174.62 172.91 6ald s THR 124 N -3.48 1.54 0.49 5.08 -4.23 -1.26 0.76 115.64 114.53 6ald s THR 124 Ca 0.32 -1.47 0.07 0.00 -1.18 0.00 0.00 61.69 59.43 6ald s THR 124 Cb 0.01 -1.41 0.01 0.00 1.34 0.00 0.00 72.50 72.45 6ald s THR 124 CO 0.18 -0.11 0.43 0.00 -0.54 0.00 0.00 174.62 174.58 6ald s GLN 125 N -1.86 2.38 0.00 3.99 -2.07 -0.66 -4.91 119.66 116.53 6ald s GLN 125 Ca 0.04 -1.75 0.00 0.00 -1.82 0.00 0.00 55.36 51.82 6ald s GLN 125 Cb -0.10 -2.28 0.00 0.00 -1.09 0.00 0.00 33.01 29.54 6ald s GLN 125 CO 0.04 -0.44 0.00 0.41 -1.32 0.00 0.00 175.29 173.98 6ald n GLY 126 N -1.70 -0.26 0.15 2.60 0.00 -1.26 0.25 105.19 104.96 6ald n GLY 126 Ca 0.03 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.08 6ald n GLY 126 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 6ald h LEU 127 N 0.00 0.00 -9.26 0.99 3.38 -1.91 -3.40 115.31 105.11 6ald h LEU 127 Ca 0.00 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.42 6ald h LEU 127 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 6ald h LEU 127 CO 0.00 0.45 1.19 -1.81 0.09 0.00 0.00 178.44 178.36 6ald s ASP 128 N -6.43 6.44 -1.65 -0.43 1.01 -1.26 -2.06 116.67 112.30 6ald s ASP 128 Ca 0.03 2.33 0.00 0.00 0.71 0.00 0.00 52.55 55.63 6ald s ASP 128 Cb 0.08 -2.53 0.00 0.00 1.01 0.00 0.00 42.92 41.48 6ald s ASP 128 CO 0.73 -1.10 0.00 0.61 0.21 0.00 0.00 175.17 175.61 6ald n GLY 129 N 4.50 1.58 0.29 0.21 0.00 -1.26 -4.87 105.19 105.63 6ald n GLY 129 Ca 0.20 -0.29 -0.04 0.00 0.00 0.00 0.00 46.02 45.89 6ald n GLY 129 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 6ald h LEU 130 N 0.00 0.75 0.57 0.99 5.85 -1.64 -2.44 115.31 119.40 6ald h LEU 130 Ca -0.32 -0.17 -0.02 0.00 0.84 0.00 0.00 57.88 58.21 6ald h LEU 130 Cb 1.01 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.83 6ald h LEU 130 CO 0.47 0.80 -0.45 -1.28 -0.34 0.00 0.00 178.44 177.63 6ald h SER 131 N 0.75 -1.21 -0.26 1.25 0.87 -1.90 0.22 113.55 113.27 6ald h SER 131 Ca 0.15 0.08 0.03 0.00 -1.23 0.00 0.00 61.79 60.82 6ald h SER 131 Cb 0.41 0.38 -0.01 0.00 -0.44 0.00 0.00 62.40 62.74 6ald h SER 131 CO 0.01 -0.64 0.18 1.05 -0.53 0.00 0.00 176.83 176.90 6ald h GLU 132 N -0.99 0.23 -0.43 2.24 9.09 -1.97 -0.26 114.58 122.48 6ald h GLU 132 Ca -0.07 -0.01 -0.06 0.00 0.05 0.00 0.00 59.36 59.26 6ald h GLU 132 Cb 0.83 -0.05 -0.02 0.00 -1.65 0.00 0.00 28.75 27.86 6ald h GLU 132 CO 0.01 0.15 0.02 0.00 0.05 0.00 0.00 179.01 179.24 6ald h ARG 133 N 0.24 0.74 -0.34 1.06 3.08 -0.92 -1.84 114.38 116.40 6ald h ARG 133 Ca 0.11 -0.22 -0.10 0.00 0.07 0.00 0.00 59.98 59.84 6ald h ARG 133 Cb 0.14 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.10 6ald h ARG 133 CO -0.02 0.80 -0.19 0.00 -1.07 0.00 0.00 179.97 179.49 6ald h ALA 135 N 1.23 1.14 0.10 0.00 0.00 -0.89 -0.47 119.26 120.38 6ald h ALA 135 Ca 0.09 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 6ald h ALA 135 Cb 0.65 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.24 6ald h ALA 135 CO 0.05 0.56 -0.05 0.37 0.00 0.00 0.00 179.25 180.17 6ald h GLN 136 N 0.73 -0.13 -0.97 0.00 5.75 -0.96 -2.75 115.11 116.77 6ald h GLN 136 Ca 0.15 0.01 0.13 0.00 -0.15 0.00 0.00 58.65 58.78 6ald h GLN 136 Cb 0.42 0.03 -0.08 0.00 1.07 0.00 0.00 27.48 28.92 6ald h GLN 136 CO 0.02 0.36 0.62 1.88 -2.65 0.00 0.00 178.83 179.05 6ald h TYR 137 N -0.74 1.06 -0.69 3.99 0.05 -1.01 0.57 116.97 120.20 6ald h TYR 137 Ca -0.01 0.03 -0.02 0.00 0.05 0.00 0.00 58.73 58.78 6ald h TYR 137 Cb 0.56 -0.33 -0.03 0.00 1.01 0.00 0.00 36.73 37.93 6ald h TYR 137 CO 0.10 0.41 0.36 -0.22 -1.05 0.00 0.00 178.16 177.76 6ald h LYS 138 N 0.91 0.98 -0.22 4.88 1.63 -1.11 0.39 116.57 124.03 6ald h LYS 138 Ca 0.48 -0.13 -0.09 0.00 -0.85 0.00 0.00 60.65 60.07 6ald h LYS 138 Cb 0.55 -0.18 -0.01 0.00 -0.60 0.00 0.00 32.23 31.99 6ald h LYS 138 CO -0.25 0.75 -0.23 0.87 -3.45 0.00 0.00 179.45 177.14 6ald h LYS 139 N 0.95 0.40 -0.79 1.90 1.57 -0.70 -2.91 116.57 117.00 6ald h LYS 139 Ca 0.24 -0.14 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 6ald h LYS 139 Cb 0.07 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.35 6ald h LYS 139 CO -0.04 0.62 0.00 -0.25 -0.57 0.00 0.00 179.45 179.21 6ald n ASP 140 N -4.14 3.17 0.00 0.86 8.00 -0.00 -4.89 116.55 119.53 6ald n ASP 140 Ca -0.00 -2.42 0.00 0.00 0.71 0.00 0.00 54.79 53.08 6ald n ASP 140 Cb 0.38 -0.57 0.00 0.00 -0.02 0.00 0.00 41.12 40.91 6ald n ASP 140 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 6ald n GLY 141 N 0.33 0.51 3.82 0.44 0.00 -1.04 -4.91 105.19 104.34 6ald n GLY 141 Ca 0.13 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.78 6ald n GLY 141 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 6ald s ALA 142 N -2.12 3.54 0.00 4.61 0.00 0.07 -4.37 121.76 123.49 6ald s ALA 142 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 51.96 51.99 6ald s ALA 142 Cb 0.00 -2.66 0.00 0.00 0.00 0.00 0.00 23.12 20.46 6ald s ALA 142 CO 0.00 0.39 0.00 -0.25 0.00 0.00 0.00 175.76 175.90 6ald n ASP 143 N 1.17 1.00 -3.87 0.00 8.00 0.92 -4.09 116.55 119.67 6ald n ASP 143 Ca -0.06 -0.31 -0.09 0.00 0.71 0.00 0.00 54.79 55.03 6ald n ASP 143 Cb 0.51 0.82 -0.08 0.00 -0.02 0.00 0.00 41.12 42.35 6ald n ASP 143 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 6ald s PHE 144 N -1.02 0.13 0.37 1.24 -0.12 -1.17 -1.08 117.98 116.32 6ald s PHE 144 Ca 0.00 -0.46 0.06 0.00 -0.05 0.00 0.00 56.93 56.48 6ald s PHE 144 Cb 0.00 -0.07 -0.07 0.00 -0.63 0.00 0.00 43.02 42.25 6ald s PHE 144 CO 0.00 -0.47 0.00 0.00 -0.05 0.00 0.00 175.22 174.71 6ald s ALA 145 N -3.15 2.85 -0.02 1.99 0.00 -0.39 -1.00 121.76 122.04 6ald s ALA 145 Ca -0.00 -2.17 0.03 0.00 0.00 0.00 0.00 51.96 49.82 6ald s ALA 145 Cb 0.02 0.27 -0.00 0.00 0.00 0.00 0.00 23.12 23.40 6ald s ALA 145 CO -0.07 -0.14 -0.12 0.00 0.00 0.00 0.00 175.76 175.43 6ald s ALA 146 N -2.88 1.05 -0.18 0.00 0.00 -0.45 -2.70 121.76 116.61 6ald s ALA 146 Ca 0.34 -0.49 -0.04 0.00 0.00 0.00 0.00 51.96 51.77 6ald s ALA 146 Cb 0.08 -0.32 0.09 0.00 0.00 0.00 0.00 23.12 22.97 6ald s ALA 146 CO 0.17 0.22 0.29 -0.46 0.00 0.00 0.00 175.76 175.97 6ald s TRP 147 N -0.07 -0.50 -0.20 0.00 -0.11 -1.26 -1.10 118.94 115.71 6ald s TRP 147 Ca 0.01 0.79 -0.09 0.00 1.22 0.00 0.00 56.10 58.03 6ald s TRP 147 Cb -0.07 -0.08 -0.05 0.00 -1.50 0.00 0.00 33.47 31.77 6ald s TRP 147 CO 0.00 -0.51 0.10 0.50 -4.62 0.00 0.00 176.95 172.42 6ald s ARG 148 N 2.44 4.08 -0.07 5.86 3.52 -1.26 -3.41 118.95 130.12 6ald s ARG 148 Ca 0.05 -0.28 0.03 0.00 -0.13 0.00 0.00 55.73 55.40 6ald s ARG 148 Cb -0.14 -3.34 -0.02 0.00 -1.56 0.00 0.00 34.95 29.89 6ald s ARG 148 CO -0.11 0.26 -0.15 0.00 -0.81 0.00 0.00 175.30 174.49 6ald s VAL 150 N -0.44 2.99 0.12 0.00 1.01 -1.26 -1.51 120.40 121.32 6ald s VAL 150 Ca 0.05 -0.69 0.06 0.00 0.00 0.00 0.00 61.98 61.40 6ald s VAL 150 Cb -0.12 -2.24 -0.04 0.00 0.00 0.00 0.00 36.38 33.99 6ald s VAL 150 CO 0.02 0.54 -0.15 -0.76 0.00 0.00 0.00 175.10 174.74 6ald s LEU 151 N 0.19 2.39 0.00 3.92 1.02 0.44 -4.54 118.68 122.10 6ald s LEU 151 Ca -0.08 -0.80 -0.02 0.00 0.02 0.00 0.00 54.13 53.25 6ald s LEU 151 Cb -0.15 -0.61 -0.01 0.00 0.02 0.00 0.00 46.19 45.44 6ald s LEU 151 CO 0.05 -0.11 0.04 -1.59 0.02 0.00 0.00 176.35 174.76 6ald s LYS 152 N -2.57 0.25 -0.15 1.70 -2.85 -1.26 0.24 119.74 115.10 6ald s LYS 152 Ca 0.09 -0.30 -0.19 0.00 -1.00 0.00 0.00 55.97 54.57 6ald s LYS 152 Cb -0.06 0.10 -0.04 0.00 -2.06 0.00 0.00 37.83 35.78 6ald s LYS 152 CO 0.04 -0.05 0.53 0.42 0.10 0.00 0.00 175.35 176.39 6ald s ILE 153 N -0.86 5.13 0.00 3.79 1.01 -1.26 -2.37 121.20 126.64 6ald s ILE 153 Ca -0.09 1.04 0.00 0.00 0.00 0.00 0.00 60.65 61.60 6ald s ILE 153 Cb -0.06 -3.87 0.00 0.00 0.01 0.00 0.00 42.46 38.55 6ald s ILE 153 CO -0.00 0.24 0.00 0.61 0.00 0.00 0.00 174.94 175.79 6ald n GLY 154 N 3.50 2.16 0.28 6.18 0.00 -0.45 -4.79 105.19 112.08 6ald n GLY 154 Ca -0.05 -0.91 -0.08 0.00 0.00 0.00 0.00 46.02 44.98 6ald n GLY 154 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 6ald h GLU 155 N 0.00 -0.17 -0.02 1.61 -0.00 -2.01 -3.17 114.58 110.83 6ald h GLU 155 Ca 0.00 0.01 -0.01 0.00 -0.00 0.00 0.00 59.36 59.36 6ald h GLU 155 Cb 0.00 0.04 -0.01 0.00 -0.00 0.00 0.00 28.75 28.78 6ald h GLU 155 CO 0.00 -0.11 -0.33 0.72 -0.00 0.00 0.00 179.01 179.29 6ald n HIS 156 N -4.39 0.07 -4.23 2.06 8.25 -1.26 -5.02 115.22 110.70 6ald n HIS 156 Ca -0.01 -1.36 -0.19 0.00 -0.26 0.00 0.00 57.72 55.91 6ald n HIS 156 Cb 0.20 -0.24 -0.12 0.00 1.12 0.00 0.00 29.99 30.95 6ald n HIS 156 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 6ald s THR 157 N -3.13 1.08 0.14 1.59 -4.23 -1.20 -3.31 115.64 106.58 6ald s THR 157 Ca 0.37 -1.17 -0.31 0.00 -1.18 0.00 0.00 61.69 59.40 6ald s THR 157 Cb 0.35 -1.02 -0.08 0.00 1.34 0.00 0.00 72.50 73.09 6ald s THR 157 CO -0.04 -0.14 1.29 -2.84 -0.54 0.00 0.00 174.62 172.35 6ald s PRO 158 N -1.49 4.39 0.78 3.99 0.02 -1.00 -1.34 135.00 140.36 6ald s PRO 158 Ca -0.01 1.97 -0.12 0.00 0.02 0.00 0.00 61.00 62.86 6ald s PRO 158 Cb -0.09 -3.25 0.06 0.00 0.02 0.00 0.00 34.50 31.24 6ald s PRO 158 CO 0.02 -0.28 1.10 -1.54 -0.33 0.00 0.00 177.00 175.97 6ald s SER 159 N 0.70 4.64 0.43 2.53 1.04 -1.21 -4.83 113.70 117.01 6ald s SER 159 Ca 0.59 1.23 0.10 0.00 0.48 0.00 0.00 55.95 58.35 6ald s SER 159 Cb -0.34 -1.96 0.96 0.00 0.10 0.00 0.00 66.02 64.77 6ald s SER 159 CO 0.33 -1.86 2.05 0.00 0.98 0.00 0.00 173.24 174.74 6ald h ALA 160 N -1.02 1.83 0.06 5.32 0.00 -2.00 -1.56 119.26 121.90 6ald h ALA 160 Ca -0.47 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.42 6ald h ALA 160 Cb 1.27 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.94 6ald h ALA 160 CO 0.61 0.13 -0.03 1.25 0.00 0.00 0.00 179.25 181.21 6ald h LEU 161 N 0.44 -0.07 -0.22 0.00 6.46 -1.98 -1.47 115.31 118.46 6ald h LEU 161 Ca 0.16 -0.34 0.05 0.00 -0.12 0.00 0.00 57.88 57.63 6ald h LEU 161 Cb 0.09 0.02 -0.06 0.00 -0.73 0.00 0.00 40.66 39.98 6ald h LEU 161 CO -0.04 0.31 -0.14 0.00 -0.62 0.00 0.00 178.44 177.95 6ald h ALA 162 N 0.44 0.03 -0.35 1.25 0.00 -1.78 0.41 119.26 119.25 6ald h ALA 162 Ca -0.01 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 6ald h ALA 162 Cb 0.41 0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 6ald h ALA 162 CO 0.01 -0.56 0.16 0.82 0.00 0.00 0.00 179.25 179.68 6ald h ILE 163 N -0.13 1.17 -0.25 0.00 2.04 -1.34 -0.88 117.51 118.12 6ald h ILE 163 Ca 0.13 -0.50 -0.04 0.00 1.00 0.00 0.00 64.86 65.44 6ald h ILE 163 Cb 0.32 0.85 -0.01 0.00 -0.74 0.00 0.00 36.82 37.24 6ald h ILE 163 CO -0.30 0.18 -0.02 -0.03 0.00 0.00 0.00 178.15 177.98 6ald h MET 164 N 0.42 0.46 0.06 2.37 4.05 -0.89 -1.81 114.93 119.59 6ald h MET 164 Ca 0.12 -0.15 -0.00 0.00 -0.28 0.00 0.00 59.70 59.38 6ald h MET 164 Cb 0.14 -0.04 0.00 0.00 -0.80 0.00 0.00 31.60 30.90 6ald h MET 164 CO -0.01 0.64 -0.03 1.49 0.23 0.00 0.00 176.91 179.23 6ald h GLU 165 N 0.22 -0.08 -0.65 0.39 4.57 -0.17 -1.86 114.58 117.01 6ald h GLU 165 Ca 0.07 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.26 6ald h GLU 165 Cb 0.45 0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 29.02 6ald h GLU 165 CO 0.02 0.26 0.41 -0.91 -1.18 0.00 0.00 179.01 177.61 6ald h ASN 166 N -0.43 0.75 -0.21 1.04 -0.26 -1.23 -0.61 115.58 114.63 6ald h ASN 166 Ca -0.01 -0.03 -0.15 0.00 -0.56 0.00 0.00 56.30 55.56 6ald h ASN 166 Cb 0.38 -0.19 -0.01 0.00 -1.06 0.00 0.00 38.32 37.44 6ald h ASN 166 CO 0.01 0.56 -0.40 0.00 -1.06 0.00 0.00 177.43 176.54 6ald h ALA 167 N 1.57 0.71 -0.37 -0.83 0.00 -1.29 -2.21 119.26 116.85 6ald h ALA 167 Ca 0.24 -0.45 -0.16 0.00 0.00 0.00 0.00 54.91 54.54 6ald h ALA 167 Cb -0.08 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 6ald h ALA 167 CO -0.05 0.66 -0.38 -0.97 0.00 0.00 0.00 179.25 178.51 6ald h ASN 168 N 0.61 0.97 -0.26 0.00 -1.24 -0.67 -2.77 115.58 112.22 6ald h ASN 168 Ca 0.05 -0.47 -0.10 0.00 0.71 0.00 0.00 56.30 56.49 6ald h ASN 168 Cb 0.95 -0.27 -0.02 0.00 0.73 0.00 0.00 38.32 39.71 6ald h ASN 168 CO 0.09 1.24 -0.19 1.62 -1.29 0.00 0.00 177.43 178.90 6ald h VAL 169 N 0.71 1.26 -0.25 2.57 3.04 -1.10 -1.67 116.25 120.81 6ald h VAL 169 Ca 0.06 -1.26 -0.04 0.00 -1.01 0.00 0.00 66.70 64.44 6ald h VAL 169 Cb 0.98 1.18 -0.01 0.00 -2.01 0.00 0.00 31.29 31.42 6ald h VAL 169 CO 0.09 0.42 -0.03 -0.07 -1.01 0.00 0.00 177.57 176.97 6ald h LEU 170 N 0.63 0.35 -0.19 3.16 3.38 -1.35 -1.09 115.31 120.20 6ald h LEU 170 Ca 0.10 -0.06 -0.22 0.00 0.09 0.00 0.00 57.88 57.78 6ald h LEU 170 Cb 0.67 -0.09 0.01 0.00 0.09 0.00 0.00 40.66 41.34 6ald h LEU 170 CO 0.05 0.44 -0.84 0.00 0.09 0.00 0.00 178.44 178.18 6ald h ALA 171 N 1.61 0.35 -0.20 1.53 0.00 -1.15 -0.78 119.26 120.62 6ald h ALA 171 Ca 0.08 -0.63 -0.02 0.00 0.00 0.00 0.00 54.91 54.34 6ald h ALA 171 Cb 0.29 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 6ald h ALA 171 CO 0.01 0.72 0.06 0.00 0.00 0.00 0.00 179.25 180.04 6ald h ARG 172 N 0.42 0.31 -0.05 0.00 2.47 -0.95 0.13 114.38 116.71 6ald h ARG 172 Ca -0.07 -0.07 0.01 0.00 -1.26 0.00 0.00 59.98 58.60 6ald h ARG 172 Cb 1.46 -0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 29.72 6ald h ARG 172 CO 0.16 0.41 -0.03 -0.92 0.56 0.00 0.00 179.97 180.15 6ald h TYR 173 N 0.15 -0.07 -0.89 3.04 3.20 -1.22 -1.34 116.97 119.84 6ald h TYR 173 Ca 0.06 0.01 0.03 0.00 3.14 0.00 0.00 58.73 61.96 6ald h TYR 173 Cb 0.23 0.04 -0.05 0.00 1.54 0.00 0.00 36.73 38.49 6ald h TYR 173 CO 0.00 -0.05 0.58 0.00 -1.64 0.00 0.00 178.16 177.05 6ald h ALA 174 N 1.01 1.16 0.05 1.82 0.00 -0.98 -1.26 119.26 121.06 6ald h ALA 174 Ca 0.03 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 6ald h ALA 174 Cb 0.07 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.54 6ald h ALA 174 CO -0.07 0.46 -0.02 1.03 0.00 0.00 0.00 179.25 180.65 6ald h SER 175 N 1.15 -0.05 -0.79 0.00 0.87 -0.30 -2.11 113.55 112.31 6ald h SER 175 Ca 0.34 -0.05 -0.03 0.00 -1.23 0.00 0.00 61.79 60.82 6ald h SER 175 Cb -0.05 0.01 -0.04 0.00 -0.44 0.00 0.00 62.40 61.89 6ald h SER 175 CO -0.10 0.01 0.38 0.40 -0.53 0.00 0.00 176.83 177.00 6ald h ILE 176 N -0.12 1.25 0.34 2.23 2.04 -1.03 -2.73 117.51 119.50 6ald h ILE 176 Ca -0.01 -0.70 -0.01 0.00 1.00 0.00 0.00 64.86 65.14 6ald h ILE 176 Cb 0.10 0.22 -0.01 0.00 -0.74 0.00 0.00 36.82 36.39 6ald h ILE 176 CO 0.01 0.30 -0.25 0.00 0.00 0.00 0.00 178.15 178.21 6ald h GLN 178 N -0.59 0.00 0.00 0.00 4.20 -1.23 0.51 115.11 118.00 6ald h GLN 178 Ca -0.03 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.67 6ald h GLN 178 Cb 0.50 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.28 6ald h GLN 178 CO 0.01 0.00 -0.06 1.96 -0.67 0.00 0.00 178.83 180.07 6ald h GLN 179 N 0.00 0.00 -0.33 1.46 1.08 -1.12 -3.12 115.11 113.07 6ald h GLN 179 Ca 0.00 0.00 -0.14 0.00 -1.45 0.00 0.00 58.65 57.06 6ald h GLN 179 Cb 0.02 0.00 -0.09 0.00 -0.05 0.00 0.00 27.48 27.36 6ald h GLN 179 CO -0.00 0.06 -0.05 0.09 -0.95 0.00 0.00 178.83 177.98 6ald n ASN 180 N -3.15 2.77 -1.21 1.46 3.02 0.08 -4.95 115.26 113.28 6ald n ASN 180 Ca 0.01 -3.60 -0.16 0.00 -0.03 0.00 0.00 54.58 50.80 6ald n ASN 180 Cb 0.40 -0.62 -0.07 0.00 -0.61 0.00 0.00 39.78 38.89 6ald n ASN 180 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 6ald n GLY 181 N -1.01 1.56 3.57 7.41 0.00 -1.17 -4.78 105.19 110.77 6ald n GLY 181 Ca 0.31 -0.16 -0.35 0.00 0.00 0.00 0.00 46.02 45.81 6ald n GLY 181 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 6ald s ILE 182 N -2.50 4.61 -0.37 -0.61 -1.09 -0.64 -4.85 121.20 115.75 6ald s ILE 182 Ca 0.00 -0.09 -0.29 0.00 -2.23 0.00 0.00 60.65 58.04 6ald s ILE 182 Cb 0.00 -3.10 0.01 0.00 -1.58 0.00 0.00 42.46 37.79 6ald s ILE 182 CO 0.00 0.42 1.24 -0.69 -1.23 0.00 0.00 174.94 174.68 6ald s VAL 183 N 0.79 4.17 0.13 2.92 1.01 -0.24 -2.84 120.40 126.34 6ald s VAL 183 Ca 0.03 1.28 -0.29 0.00 0.00 0.00 0.00 61.98 63.00 6ald s VAL 183 Cb -0.14 -4.32 -0.06 0.00 0.00 0.00 0.00 36.38 31.86 6ald s VAL 183 CO 0.02 -0.66 0.92 -2.16 0.00 0.00 0.00 175.10 173.22 6ald s PRO 184 N 4.30 4.69 -0.36 2.72 0.04 -1.25 -1.26 135.00 143.89 6ald s PRO 184 Ca 0.53 1.38 -0.07 0.00 0.04 0.00 0.00 61.00 62.88 6ald s PRO 184 Cb -0.13 -3.35 0.04 0.00 0.04 0.00 0.00 34.50 31.11 6ald s PRO 184 CO 0.26 0.30 0.15 0.42 0.04 0.00 0.00 177.00 178.17 6ald s ILE 185 N -0.31 3.97 -0.19 0.56 1.01 -1.10 -2.47 121.20 122.68 6ald s ILE 185 Ca 0.44 -1.14 -0.29 0.00 0.00 0.00 0.00 60.65 59.65 6ald s ILE 185 Cb -0.23 -3.28 -0.01 0.00 0.01 0.00 0.00 42.46 38.95 6ald s ILE 185 CO 0.29 -0.24 1.24 -0.69 0.00 0.00 0.00 174.94 175.54 6ald s VAL 186 N 1.43 4.31 -0.54 2.92 1.01 -0.50 -4.04 120.40 125.00 6ald s VAL 186 Ca -0.00 1.58 0.04 0.00 0.00 0.00 0.00 61.98 63.60 6ald s VAL 186 Cb -0.20 -4.05 0.13 0.00 0.00 0.00 0.00 36.38 32.26 6ald s VAL 186 CO 0.03 -0.18 0.28 -0.70 0.00 0.00 0.00 175.10 174.54 6ald s GLU 187 N 3.54 1.99 -1.15 2.72 2.12 -1.22 0.02 118.70 126.72 6ald s GLU 187 Ca 0.54 -2.67 -0.07 0.00 0.36 0.00 0.00 54.97 53.12 6ald s GLU 187 Cb -0.20 -3.27 0.26 0.00 0.26 0.00 0.00 34.13 31.17 6ald s GLU 187 CO 0.14 -1.13 1.53 -0.35 -0.54 0.00 0.00 175.26 174.91 6ald n PRO 188 N 3.00 4.03 -2.20 4.30 -0.04 -1.24 -1.27 135.00 141.58 6ald n PRO 188 Ca 0.07 -4.22 -0.41 0.00 -0.04 0.00 0.00 63.50 58.89 6ald n PRO 188 Cb 0.33 -2.67 -0.03 0.00 -0.04 0.00 0.00 33.50 31.09 6ald n PRO 188 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 6ald s GLU 189 N -1.40 4.38 -0.36 0.54 2.12 -0.57 -4.57 118.70 118.84 6ald s GLU 189 Ca 0.34 2.08 -0.03 0.00 0.36 0.00 0.00 54.97 57.72 6ald s GLU 189 Cb 0.03 -3.19 0.08 0.00 0.26 0.00 0.00 34.13 31.31 6ald s GLU 189 CO 0.04 -0.27 0.11 0.42 -0.54 0.00 0.00 175.26 175.02 6ald s ILE 190 N 0.12 3.25 0.27 -3.70 1.01 -1.26 -0.42 121.20 120.47 6ald s ILE 190 Ca 0.57 -1.65 -0.27 0.00 0.00 0.00 0.00 60.65 59.30 6ald s ILE 190 Cb -0.37 -3.03 -0.15 0.00 0.01 0.00 0.00 42.46 38.92 6ald s ILE 190 CO 0.38 -0.38 0.72 0.18 0.00 0.00 0.00 174.94 175.84 6ald n LEU 191 N 4.64 0.18 -0.49 2.97 4.32 0.14 -4.85 117.00 123.90 6ald n LEU 191 Ca -0.08 1.12 0.09 0.00 -0.02 0.00 0.00 56.01 57.12 6ald n LEU 191 Cb 0.43 -1.11 0.34 0.00 -1.62 0.00 0.00 43.42 41.45 6ald n LEU 191 CO 0.30 -2.32 0.74 -0.81 -1.22 0.00 0.00 177.39 174.08 6ald n PRO 192 N 0.84 1.64 -2.15 3.23 -0.04 -1.26 -4.41 135.00 132.84 6ald n PRO 192 Ca 0.13 -0.97 -0.39 0.00 -0.04 0.00 0.00 63.50 62.23 6ald n PRO 192 Cb 0.30 -1.34 -0.01 0.00 -0.04 0.00 0.00 33.50 32.40 6ald n PRO 192 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 6ald s ASP 193 N -1.43 6.49 0.00 3.54 1.01 -1.26 0.24 116.67 125.25 6ald s ASP 193 Ca 0.29 2.55 0.00 0.00 0.71 0.00 0.00 52.55 56.10 6ald s ASP 193 Cb 0.15 -2.63 0.00 0.00 1.01 0.00 0.00 42.92 41.45 6ald s ASP 193 CO 0.23 -0.72 0.00 0.61 0.21 0.00 0.00 175.17 175.50 6ald n GLY 194 N 0.71 1.59 0.89 0.21 0.00 -1.26 -4.58 105.19 102.75 6ald n GLY 194 Ca 0.03 -2.23 0.08 0.00 0.00 0.00 0.00 46.02 43.90 6ald n GLY 194 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 6ald n ASP 195 N 0.00 3.76 -4.70 1.61 5.75 -1.26 -0.53 116.55 121.18 6ald n ASP 195 Ca 0.00 -2.77 -0.30 0.00 -0.01 0.00 0.00 54.79 51.71 6ald n ASP 195 Cb 0.00 -0.48 0.15 0.00 -1.03 0.00 0.00 41.12 39.76 6ald n ASP 195 CO 0.00 0.00 0.00 -1.38 -0.11 0.00 0.00 177.20 175.71 6ald s HIS 196 N -2.39 2.22 0.34 2.11 -3.43 -1.26 -4.33 115.29 108.55 6ald s HIS 196 Ca 0.39 1.28 0.05 0.00 -0.80 0.00 0.00 55.06 55.97 6ald s HIS 196 Cb 0.29 -3.17 0.05 0.00 -1.43 0.00 0.00 32.58 28.33 6ald s HIS 196 CO 0.11 -2.51 0.41 -0.40 -2.00 0.00 0.00 174.74 170.35 6ald n ASP 197 N -3.97 1.51 -0.17 7.38 5.68 -1.26 -0.20 116.55 125.53 6ald n ASP 197 Ca 0.07 -1.99 -0.05 0.00 -0.50 0.00 0.00 54.79 52.32 6ald n ASP 197 Cb 0.55 -0.18 0.04 0.00 -1.14 0.00 0.00 41.12 40.39 6ald n ASP 197 CO 0.00 0.00 0.00 0.25 -1.33 0.00 0.00 177.20 176.12 6ald h LEU 198 N 0.00 0.43 -0.31 -2.12 6.46 -1.92 -2.65 115.31 115.21 6ald h LEU 198 Ca -0.18 0.02 0.03 0.00 -0.12 0.00 0.00 57.88 57.63 6ald h LEU 198 Cb 0.75 -0.07 -0.03 0.00 -0.73 0.00 0.00 40.66 40.58 6ald h LEU 198 CO 0.26 0.30 0.11 0.11 -0.62 0.00 0.00 178.44 178.60 6ald h LYS 199 N 0.55 0.24 -0.59 1.25 6.56 -1.95 -0.73 116.57 121.90 6ald h LYS 199 Ca 0.21 -0.01 0.03 0.00 -1.06 0.00 0.00 60.65 59.83 6ald h LYS 199 Cb 0.08 -0.05 -0.04 0.00 -0.57 0.00 0.00 32.23 31.64 6ald h LYS 199 CO -0.13 0.16 0.34 -0.09 -2.06 0.00 0.00 179.45 177.67 6ald h ARG 200 N 0.24 0.65 -0.07 3.15 9.65 -1.91 -0.61 114.38 125.48 6ald h ARG 200 Ca 0.14 -0.04 -0.00 0.00 -1.10 0.00 0.00 59.98 58.98 6ald h ARG 200 Cb 0.10 -0.15 -0.00 0.00 -1.39 0.00 0.00 29.97 28.54 6ald h ARG 200 CO -0.14 0.43 0.03 0.00 2.80 0.00 0.00 179.97 183.09 6ald h GLN 202 N -0.01 1.20 0.38 0.00 4.15 -0.82 0.12 115.11 120.12 6ald h GLN 202 Ca 0.02 -0.07 -0.02 0.00 0.77 0.00 0.00 58.65 59.35 6ald h GLN 202 Cb 0.12 -0.27 0.00 0.00 0.21 0.00 0.00 27.48 27.55 6ald h GLN 202 CO -0.00 0.79 -0.18 -0.92 -1.93 0.00 0.00 178.83 176.59 6ald h TYR 203 N 1.23 -0.47 -0.81 3.99 3.20 -0.82 -0.34 116.97 122.95 6ald h TYR 203 Ca 0.42 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.26 6ald h TYR 203 Cb 0.08 0.15 -0.04 0.00 1.54 0.00 0.00 36.73 38.46 6ald h TYR 203 CO -0.00 -0.25 0.46 0.28 -1.64 0.00 0.00 178.16 177.02 6ald h VAL 204 N -0.58 1.23 -0.56 1.81 2.07 -0.92 -1.27 116.25 118.02 6ald h VAL 204 Ca -0.05 -0.56 -0.00 0.00 0.82 0.00 0.00 66.70 66.91 6ald h VAL 204 Cb 0.43 0.13 -0.03 0.00 -1.52 0.00 0.00 31.29 30.31 6ald h VAL 204 CO 0.08 0.26 0.35 0.74 0.02 0.00 0.00 177.57 179.02 6ald h THR 205 N 1.12 1.16 -0.37 2.57 2.02 -0.64 0.19 112.91 118.97 6ald h THR 205 Ca 0.29 -0.34 -0.01 0.00 0.77 0.00 0.00 66.41 67.11 6ald h THR 205 Cb 0.00 0.38 -0.02 0.00 -1.74 0.00 0.00 68.15 66.77 6ald h THR 205 CO -0.05 0.16 0.18 -0.33 0.37 0.00 0.00 175.52 175.86 6ald h GLU 206 N 0.76 0.53 -0.28 6.66 5.08 -0.63 0.21 114.58 126.92 6ald h GLU 206 Ca 0.20 -0.08 -0.04 0.00 -1.00 0.00 0.00 59.36 58.44 6ald h GLU 206 Cb -0.04 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 6ald h GLU 206 CO -0.04 0.47 0.00 0.87 -1.00 0.00 0.00 179.01 179.31 6ald h LYS 207 N 0.46 0.49 -0.04 2.33 1.79 -0.97 -1.95 116.57 118.68 6ald h LYS 207 Ca 0.13 -0.15 -0.00 0.00 -2.18 0.00 0.00 60.65 58.44 6ald h LYS 207 Cb 0.11 -0.04 -0.00 0.00 -1.58 0.00 0.00 32.23 30.71 6ald h LYS 207 CO -0.02 0.64 0.02 0.28 -1.08 0.00 0.00 179.45 179.29 6ald h VAL 208 N 0.27 1.13 -0.46 0.50 2.07 -0.49 -2.36 116.25 116.92 6ald h VAL 208 Ca 0.08 -0.40 -0.00 0.00 0.82 0.00 0.00 66.70 67.20 6ald h VAL 208 Cb 0.42 1.33 -0.02 0.00 -1.52 0.00 0.00 31.29 31.50 6ald h VAL 208 CO 0.01 0.11 0.28 -0.07 0.02 0.00 0.00 177.57 177.93 6ald h LEU 209 N -0.10 0.53 -0.53 2.57 4.07 -0.58 -0.54 115.31 120.73 6ald h LEU 209 Ca 0.01 -0.02 -0.11 0.00 0.08 0.00 0.00 57.88 57.84 6ald h LEU 209 Cb 0.16 -0.13 -0.02 0.00 1.08 0.00 0.00 40.66 41.75 6ald h LEU 209 CO -0.00 0.40 -0.09 0.00 -1.08 0.00 0.00 178.44 177.67 6ald h ALA 210 N 1.69 0.73 -0.40 1.53 0.00 -1.16 -2.43 119.26 119.21 6ald h ALA 210 Ca 0.17 -0.34 -0.14 0.00 0.00 0.00 0.00 54.91 54.60 6ald h ALA 210 Cb -0.04 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 6ald h ALA 210 CO -0.03 0.63 -0.29 0.00 0.00 0.00 0.00 179.25 179.55 6ald h ALA 211 N 0.92 0.73 -0.03 0.00 0.00 -0.85 -2.62 119.26 117.42 6ald h ALA 211 Ca 0.14 -0.41 0.01 0.00 0.00 0.00 0.00 54.91 54.65 6ald h ALA 211 Cb 0.65 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 6ald h ALA 211 CO 0.04 0.66 -0.06 0.28 0.00 0.00 0.00 179.25 180.18 6ald h VAL 212 N 0.73 0.84 0.00 0.00 2.07 -0.92 -1.93 116.25 117.04 6ald h VAL 212 Ca 0.08 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.58 6ald h VAL 212 Cb 0.85 0.84 -0.00 0.00 -1.52 0.00 0.00 31.29 31.45 6ald h VAL 212 CO 0.07 0.00 -0.12 1.88 0.02 0.00 0.00 177.57 179.43 6ald h TYR 213 N -0.09 0.00 -0.16 1.57 0.05 -1.45 -1.46 116.97 115.42 6ald h TYR 213 Ca 0.03 0.00 -0.20 0.00 0.05 0.00 0.00 58.73 58.61 6ald h TYR 213 Cb 0.14 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.88 6ald h TYR 213 CO -0.14 0.12 -0.71 -0.22 -1.05 0.00 0.00 178.16 176.16 6ald h LYS 214 N 0.00 0.69 -0.19 4.88 1.63 -1.17 -1.92 116.57 120.49 6ald h LYS 214 Ca -0.00 -0.53 -0.03 0.00 -0.85 0.00 0.00 60.65 59.24 6ald h LYS 214 Cb 0.75 0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 32.47 6ald h LYS 214 CO 0.02 1.15 -0.01 0.00 -3.45 0.00 0.00 179.45 177.16 6ald h ALA 215 N 0.71 0.26 -0.80 5.00 0.00 -1.08 -1.19 119.26 122.16 6ald h ALA 215 Ca -0.03 -0.21 0.12 0.00 0.00 0.00 0.00 54.91 54.79 6ald h ALA 215 Cb 1.31 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.98 6ald h ALA 215 CO 0.14 -0.02 0.52 -0.07 0.00 0.00 0.00 179.25 179.82 6ald h LEU 216 N 0.09 0.57 -0.17 0.00 4.07 -1.23 -0.39 115.31 118.25 6ald h LEU 216 Ca 0.05 0.02 -0.16 0.00 0.08 0.00 0.00 57.88 57.88 6ald h LEU 216 Cb 0.40 -0.09 0.00 0.00 1.08 0.00 0.00 40.66 42.06 6ald h LEU 216 CO 0.01 0.31 -0.50 -1.28 -1.08 0.00 0.00 178.44 175.90 6ald h SER 217 N 0.62 0.74 -0.47 -0.43 0.87 -1.03 -1.03 113.55 112.83 6ald h SER 217 Ca 0.39 -0.59 -0.01 0.00 -1.23 0.00 0.00 61.79 60.35 6ald h SER 217 Cb 0.64 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 62.36 6ald h SER 217 CO -0.15 1.20 0.26 0.44 -0.53 0.00 0.00 176.83 178.04 6ald h ASP 218 N 0.32 0.61 -0.33 6.23 3.32 0.05 -1.50 116.42 125.13 6ald h ASP 218 Ca -0.01 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 56.99 6ald h ASP 218 Cb 1.12 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.52 6ald h ASP 218 CO 0.11 0.51 0.00 1.41 -1.72 0.00 0.00 179.24 179.54 6ald n HIS 219 N -4.40 0.57 -3.81 4.55 8.25 -0.29 -4.94 115.22 115.16 6ald n HIS 219 Ca 0.04 -0.25 -0.27 0.00 -0.26 0.00 0.00 57.72 56.98 6ald n HIS 219 Cb 0.11 -0.06 0.03 0.00 1.12 0.00 0.00 29.99 31.19 6ald n HIS 219 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 6ald n HIS 220 N 0.45 -2.23 -3.27 4.41 -0.00 -0.56 -4.90 115.22 109.12 6ald n HIS 220 Ca 0.12 0.90 -0.39 0.00 -0.00 0.00 0.00 57.72 58.35 6ald n HIS 220 Cb 0.38 -4.24 -0.06 0.00 -0.00 0.00 0.00 29.99 26.07 6ald n HIS 220 CO 0.00 0.00 0.00 0.96 -0.00 0.00 0.00 176.34 177.30 6ald s ILE 221 N -3.42 4.73 -0.70 1.59 -4.36 -0.40 -4.89 121.20 113.74 6ald s ILE 221 Ca 0.43 1.22 -0.27 0.00 -0.26 0.00 0.00 60.65 61.78 6ald s ILE 221 Cb -0.21 -3.90 0.01 0.00 1.25 0.00 0.00 42.46 39.61 6ald s ILE 221 CO 0.81 0.54 1.51 -0.47 0.24 0.00 0.00 174.94 177.58 6ald s TYR 222 N -1.12 2.05 0.26 1.37 5.04 -1.26 -4.82 117.35 118.87 6ald s TYR 222 Ca 0.29 0.25 -0.02 0.00 -2.44 0.00 0.00 57.07 55.15 6ald s TYR 222 Cb -0.19 -4.42 0.46 0.00 0.35 0.00 0.00 41.96 38.15 6ald s TYR 222 CO 0.19 -2.15 1.81 -0.07 -1.34 0.00 0.00 175.55 173.99 6ald h LEU 223 N 14.36 0.73 -1.98 6.97 4.07 -1.95 -0.76 115.31 136.76 6ald h LEU 223 Ca -0.25 0.05 0.03 0.00 0.08 0.00 0.00 57.88 57.79 6ald h LEU 223 Cb 1.09 -0.09 -0.01 0.00 1.08 0.00 0.00 40.66 42.73 6ald h LEU 223 CO 1.26 0.40 0.09 -0.33 -1.08 0.00 0.00 178.44 178.78 6ald h GLU 224 N 0.83 0.03 -1.10 1.13 3.07 -1.91 -1.31 114.58 115.32 6ald h GLU 224 Ca 0.43 -0.00 -0.47 0.00 -0.50 0.00 0.00 59.36 58.82 6ald h GLU 224 Cb 0.43 -0.01 -0.24 0.00 -0.84 0.00 0.00 28.75 28.10 6ald h GLU 224 CO -0.27 0.02 0.60 0.41 -1.40 0.00 0.00 179.01 178.37 6ald n GLY 225 N -1.56 4.53 3.21 -3.84 0.00 -0.29 -4.38 105.19 102.87 6ald n GLY 225 Ca -0.00 -1.31 -0.11 0.00 0.00 0.00 0.00 46.02 44.60 6ald n GLY 225 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 6ald s THR 226 N -3.17 0.05 0.15 2.61 -4.23 -0.49 -3.93 115.64 106.63 6ald s THR 226 Ca 0.48 -1.86 0.02 0.00 -1.18 0.00 0.00 61.69 59.14 6ald s THR 226 Cb 0.39 -2.20 -0.04 0.00 1.34 0.00 0.00 72.50 71.98 6ald s THR 226 CO 0.04 -0.25 -0.02 -0.76 -0.54 0.00 0.00 174.62 173.10 6ald s LEU 227 N -3.08 2.21 -0.10 4.79 1.02 -1.03 -3.75 118.68 118.74 6ald s LEU 227 Ca 0.29 -1.12 0.02 0.00 0.02 0.00 0.00 54.13 53.34 6ald s LEU 227 Cb 0.06 -0.04 0.01 0.00 0.02 0.00 0.00 46.19 46.25 6ald s LEU 227 CO 0.06 -0.55 -0.16 -0.22 0.02 0.00 0.00 176.35 175.50 6ald s LEU 228 N -3.13 1.76 -0.77 1.79 2.96 -0.61 -1.40 118.68 119.28 6ald s LEU 228 Ca 0.20 -0.42 0.01 0.00 -0.22 0.00 0.00 54.13 53.71 6ald s LEU 228 Cb 0.06 -1.07 0.19 0.00 0.50 0.00 0.00 46.19 45.87 6ald s LEU 228 CO 0.01 0.04 0.61 -0.75 -1.32 0.00 0.00 176.35 174.94 6ald s LYS 229 N 0.80 2.82 0.47 1.98 2.20 0.10 0.08 119.74 128.20 6ald s LYS 229 Ca -0.11 -3.20 0.08 0.00 -0.36 0.00 0.00 55.97 52.38 6ald s LYS 229 Cb -0.16 -3.70 0.03 0.00 -1.51 0.00 0.00 37.83 32.50 6ald s LYS 229 CO 0.02 -1.25 0.64 -1.25 -0.36 0.00 0.00 175.35 173.14 6ald s PRO 230 N -1.21 2.68 0.32 4.03 0.04 -1.26 -3.68 135.00 135.91 6ald s PRO 230 Ca 0.25 -1.28 -0.15 0.00 0.04 0.00 0.00 61.00 59.87 6ald s PRO 230 Cb -0.09 -2.71 -0.09 0.00 0.04 0.00 0.00 34.50 31.66 6ald s PRO 230 CO -0.12 -0.45 0.72 0.54 0.04 0.00 0.00 177.00 177.73 6ald s ASN 231 N -4.43 6.76 0.71 6.66 4.22 -1.26 -2.35 114.94 125.26 6ald s ASN 231 Ca 0.57 1.25 -0.11 0.00 -2.14 0.00 0.00 52.86 52.43 6ald s ASN 231 Cb -0.09 -2.36 0.02 0.00 1.28 0.00 0.00 41.25 40.10 6ald s ASN 231 CO 0.35 -0.20 1.07 -0.04 -2.04 0.00 0.00 177.10 176.24 6ald s MET 232 N -2.97 2.78 -0.38 3.55 -1.94 -1.26 -4.96 119.30 114.13 6ald s MET 232 Ca 0.54 0.88 -0.23 0.00 -1.71 0.00 0.00 55.69 55.17 6ald s MET 232 Cb -0.10 -1.98 0.01 0.00 2.01 0.00 0.00 34.83 34.77 6ald s MET 232 CO 0.18 -1.19 0.77 0.08 -0.01 0.00 0.00 175.02 174.85 6ald s VAL 233 N -3.07 4.73 0.16 -6.03 1.01 -1.26 -5.01 120.40 110.93 6ald s VAL 233 Ca 0.58 0.80 -0.06 0.00 0.00 0.00 0.00 61.98 63.30 6ald s VAL 233 Cb -0.14 -4.22 -0.02 0.00 0.00 0.00 0.00 36.38 32.00 6ald s VAL 233 CO 0.55 -0.47 0.21 0.42 0.00 0.00 0.00 175.10 175.81 6ald s THR 234 N 3.11 0.07 0.79 3.92 -4.23 -1.26 -4.57 115.64 113.47 6ald s THR 234 Ca 0.31 -1.60 -0.11 0.00 -1.18 0.00 0.00 61.69 59.11 6ald s THR 234 Cb -0.13 -1.97 0.06 0.00 1.34 0.00 0.00 72.50 71.80 6ald s THR 234 CO 0.18 -0.31 1.10 -2.16 -0.54 0.00 0.00 174.62 172.88 6ald s PRO 235 N -4.01 2.15 0.83 3.99 0.04 -1.26 -4.56 135.00 132.18 6ald s PRO 235 Ca 0.21 0.61 -0.13 0.00 0.04 0.00 0.00 61.00 61.73 6ald s PRO 235 Cb 0.05 -1.93 0.09 0.00 0.04 0.00 0.00 34.50 32.75 6ald s PRO 235 CO 0.02 -1.56 1.15 0.41 0.04 0.00 0.00 177.00 177.05 6ald n GLY 236 N -2.22 -0.19 0.32 0.56 0.00 0.73 -4.85 105.19 99.54 6ald n GLY 236 Ca 0.07 -0.53 0.06 0.00 0.00 0.00 0.00 46.02 45.62 6ald n GLY 236 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 6ald h HIS 237 N -1.10 0.49 -0.44 1.61 3.86 0.18 -0.76 115.15 118.99 6ald h HIS 237 Ca -0.46 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 58.77 6ald h HIS 237 Cb 1.29 -0.16 0.00 0.00 1.06 0.00 0.00 27.41 29.60 6ald h HIS 237 CO 0.46 0.29 0.00 0.00 0.86 0.00 0.00 177.93 179.54 6ald n ALA 238 N -2.49 2.44 -1.76 2.45 0.00 0.30 -4.96 120.51 116.49 6ald n ALA 238 Ca 0.05 -0.87 -0.41 0.00 0.00 0.00 0.00 53.44 52.20 6ald n ALA 238 Cb 0.14 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 18.62 6ald n ALA 238 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 6ald h THR 240 N 2.84 1.20 -3.75 0.00 2.02 -1.89 -3.46 112.91 109.86 6ald h THR 240 Ca -0.50 -2.79 -0.51 0.00 0.77 0.00 0.00 66.41 63.37 6ald h THR 240 Cb 1.25 2.83 0.03 0.00 -1.74 0.00 0.00 68.15 70.52 6ald h THR 240 CO 0.63 0.83 0.55 -1.58 0.37 0.00 0.00 175.52 176.33 6ald s GLN 241 N -2.62 4.52 -0.02 6.66 0.74 -1.26 -5.04 119.66 122.64 6ald s GLN 241 Ca -0.09 1.96 -0.04 0.00 0.05 0.00 0.00 55.36 57.23 6ald s GLN 241 Cb 0.06 -3.16 -0.04 0.00 1.10 0.00 0.00 33.01 30.97 6ald s GLN 241 CO 0.87 0.02 0.20 0.15 -0.55 0.00 0.00 175.29 175.98 6ald s LYS 242 N -1.27 3.48 0.11 1.67 3.01 -1.26 -5.02 119.74 120.45 6ald s LYS 242 Ca 0.48 -0.22 0.04 0.00 -1.01 0.00 0.00 55.97 55.26 6ald s LYS 242 Cb -0.35 -3.10 -0.04 0.00 -1.01 0.00 0.00 37.83 33.33 6ald s LYS 242 CO 0.44 0.68 -0.11 0.71 0.51 0.00 0.00 175.35 177.58 6ald s TYR 243 N -1.28 1.17 0.57 3.18 1.51 -1.26 -5.15 117.35 116.09 6ald s TYR 243 Ca 0.26 -0.64 -0.01 0.00 -1.01 0.00 0.00 57.07 55.67 6ald s TYR 243 Cb -0.13 -0.63 0.03 0.00 -0.11 0.00 0.00 41.96 41.13 6ald s TYR 243 CO 0.16 0.05 0.82 -1.54 -1.11 0.00 0.00 175.55 173.92 6ald s SER 244 N -2.51 5.31 0.45 2.29 1.04 -1.26 -4.97 113.70 114.05 6ald s SER 244 Ca 0.07 0.20 0.20 0.00 0.48 0.00 0.00 55.95 56.90 6ald s SER 244 Cb -0.03 -1.11 1.06 0.00 0.10 0.00 0.00 66.02 66.04 6ald s SER 244 CO 0.01 -1.15 1.94 0.45 0.98 0.00 0.00 173.24 175.47 6ald h HIS 245 N -0.03 0.00 -0.01 5.02 3.86 -2.00 -2.17 115.15 119.82 6ald h HIS 245 Ca -0.44 0.00 -0.20 0.00 -1.16 0.00 0.00 60.37 58.57 6ald h HIS 245 Cb 1.29 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.75 6ald h HIS 245 CO 0.39 0.23 -0.87 0.93 0.86 0.00 0.00 177.93 179.47 6ald h GLU 246 N 0.00 0.31 -0.33 2.45 4.39 -1.94 -2.29 114.58 117.17 6ald h GLU 246 Ca -0.00 -0.32 -0.07 0.00 0.34 0.00 0.00 59.36 59.31 6ald h GLU 246 Cb 0.51 0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.23 6ald h GLU 246 CO 0.03 1.01 -0.05 0.93 -1.16 0.00 0.00 179.01 179.77 6ald h GLU 247 N 0.18 0.62 0.00 2.33 5.08 -1.78 -0.23 114.58 120.79 6ald h GLU 247 Ca -0.05 -0.22 -0.08 0.00 -1.00 0.00 0.00 59.36 58.01 6ald h GLU 247 Cb 1.48 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.68 6ald h GLU 247 CO 0.14 0.78 -0.36 -0.84 -1.00 0.00 0.00 179.01 177.73 6ald h ILE 248 N 0.41 0.75 -0.23 3.13 -0.00 -1.53 -1.52 117.51 118.52 6ald h ILE 248 Ca 0.09 -1.60 -0.19 0.00 -0.00 0.00 0.00 64.86 63.16 6ald h ILE 248 Cb 0.53 2.03 0.00 0.00 -0.00 0.00 0.00 36.82 39.38 6ald h ILE 248 CO 0.03 0.35 -0.60 0.00 -0.00 0.00 0.00 178.15 177.93 6ald h ALA 249 N 1.64 0.50 -0.17 0.16 0.00 -1.17 -0.84 119.26 119.39 6ald h ALA 249 Ca -0.00 -0.53 -0.14 0.00 0.00 0.00 0.00 54.91 54.23 6ald h ALA 249 Cb 1.00 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.73 6ald h ALA 249 CO 0.05 0.69 -0.46 1.98 0.00 0.00 0.00 179.25 181.51 6ald h MET 250 N 0.58 0.60 -0.77 0.00 1.85 -0.90 -1.93 114.93 114.36 6ald h MET 250 Ca -0.00 -0.43 -0.03 0.00 -0.61 0.00 0.00 59.70 58.63 6ald h MET 250 Cb 1.20 0.07 -0.04 0.00 0.43 0.00 0.00 31.60 33.26 6ald h MET 250 CO 0.13 1.04 0.35 0.00 -0.40 0.00 0.00 176.91 178.03 6ald h ALA 251 N 0.56 1.16 0.42 0.39 0.00 -1.27 -0.77 119.26 119.74 6ald h ALA 251 Ca -0.01 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 6ald h ALA 251 Cb 1.07 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.56 6ald h ALA 251 CO 0.10 0.62 -0.20 1.15 0.00 0.00 0.00 179.25 180.92 6ald h THR 252 N 1.10 0.48 -0.95 0.00 2.02 -1.11 -1.46 112.91 113.00 6ald h THR 252 Ca 0.26 -0.52 0.02 0.00 0.77 0.00 0.00 66.41 66.94 6ald h THR 252 Cb 0.14 0.69 -0.05 0.00 -1.74 0.00 0.00 68.15 67.19 6ald h THR 252 CO -0.03 0.08 0.63 0.58 0.37 0.00 0.00 175.52 177.15 6ald h VAL 253 N -0.91 1.21 0.31 3.16 2.07 -1.33 -1.53 116.25 119.24 6ald h VAL 253 Ca -0.06 -0.43 -0.02 0.00 0.82 0.00 0.00 66.70 67.02 6ald h VAL 253 Cb 0.56 -0.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.18 6ald h VAL 253 CO 0.09 0.23 -0.15 0.74 0.02 0.00 0.00 177.57 178.50 6ald h THR 254 N 1.25 0.72 -0.69 2.57 2.02 -1.15 0.27 112.91 117.89 6ald h THR 254 Ca 0.36 -0.23 0.12 0.00 0.77 0.00 0.00 66.41 67.43 6ald h THR 254 Cb -0.09 0.84 -0.04 0.00 -1.74 0.00 0.00 68.15 67.12 6ald h THR 254 CO -0.09 0.05 0.46 0.00 0.37 0.00 0.00 175.52 176.31 6ald h ALA 255 N 0.12 2.00 0.08 6.16 0.00 -0.98 -1.69 119.26 124.95 6ald h ALA 255 Ca -0.04 -0.01 -0.29 0.00 0.00 0.00 0.00 54.91 54.57 6ald h ALA 255 Cb 0.40 -0.09 0.03 0.00 0.00 0.00 0.00 17.79 18.12 6ald h ALA 255 CO 0.07 -0.16 -1.17 -0.07 0.00 0.00 0.00 179.25 177.92 6ald h LEU 256 N 0.48 0.89 -1.59 0.00 3.38 -0.95 -3.27 115.31 114.24 6ald h LEU 256 Ca 0.33 -0.78 0.00 0.00 0.09 0.00 0.00 57.88 57.53 6ald h LEU 256 Cb 0.63 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 6ald h LEU 256 CO -0.10 1.58 0.28 0.03 0.09 0.00 0.00 178.44 180.31 6ald h ARG 257 N 0.32 0.55 -0.50 1.13 3.08 0.44 0.18 114.38 119.58 6ald h ARG 257 Ca -0.17 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.85 6ald h ARG 257 Cb 1.84 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 31.76 6ald h ARG 257 CO 0.23 0.37 0.00 2.89 -1.07 0.00 0.00 179.97 182.38 6ald n ARG 258 N -4.47 2.24 0.00 0.04 1.85 -0.94 -4.54 116.66 110.84 6ald n ARG 258 Ca 0.03 -1.92 0.00 0.00 -1.00 0.00 0.00 57.85 54.96 6ald n ARG 258 Cb 0.06 -1.43 0.00 0.00 -1.05 0.00 0.00 32.46 30.04 6ald n ARG 258 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 6ald n THR 259 N 1.07 0.00 -3.04 8.89 -2.24 -0.92 -4.98 114.28 113.05 6ald n THR 259 Ca 0.18 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.54 6ald n THR 259 Cb 0.46 -0.05 -0.06 0.00 -2.10 0.00 0.00 70.33 68.58 6ald n THR 259 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 6ald s VAL 260 N -1.07 4.77 0.47 2.28 1.01 0.59 -4.77 120.40 123.67 6ald s VAL 260 Ca 0.00 0.42 -0.24 0.00 0.00 0.00 0.00 61.98 62.16 6ald s VAL 260 Cb 0.00 -4.21 -0.08 0.00 0.00 0.00 0.00 36.38 32.09 6ald s VAL 260 CO 0.00 -0.55 1.36 -2.65 0.00 0.00 0.00 175.10 173.26 6ald n PRO 261 N 6.38 2.00 0.34 2.72 -0.02 -1.26 -4.81 135.00 140.34 6ald n PRO 261 Ca 0.00 0.72 0.22 0.00 -2.02 0.00 0.00 63.50 62.42 6ald n PRO 261 Cb 0.48 -2.54 1.16 0.00 -0.02 0.00 0.00 33.50 32.58 6ald n PRO 261 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 6ald h PRO 262 N 1.99 0.00 0.00 0.52 0.13 -1.96 -1.89 132.00 130.79 6ald h PRO 262 Ca -0.50 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.60 6ald h PRO 262 Cb 1.29 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.41 6ald h PRO 262 CO 0.59 0.00 -0.14 0.00 -0.23 0.00 0.00 178.00 178.23 6ald h ALA 263 N 1.91 1.51 -2.28 -0.56 0.00 -1.90 -3.42 119.26 114.52 6ald h ALA 263 Ca 0.00 -0.13 -0.54 0.00 0.00 0.00 0.00 54.91 54.24 6ald h ALA 263 Cb 0.09 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 17.87 6ald h ALA 263 CO -0.00 0.17 1.28 0.08 0.00 0.00 0.00 179.25 180.78 6ald s VAL 264 N -4.45 3.05 0.33 0.00 1.01 -0.71 -3.55 120.40 116.07 6ald s VAL 264 Ca -0.04 0.06 0.06 0.00 0.00 0.00 0.00 61.98 62.06 6ald s VAL 264 Cb 0.15 -3.04 0.30 0.00 0.00 0.00 0.00 36.38 33.79 6ald s VAL 264 CO 0.64 -0.01 1.87 0.74 0.00 0.00 0.00 175.10 178.34 6ald h THR 265 N 5.93 0.91 -2.00 3.92 2.02 -1.68 -3.43 112.91 118.57 6ald h THR 265 Ca -0.47 -0.28 0.20 0.00 0.77 0.00 0.00 66.41 66.62 6ald h THR 265 Cb 1.23 0.01 -0.13 0.00 -1.74 0.00 0.00 68.15 67.53 6ald h THR 265 CO 0.95 0.15 0.61 -0.83 0.37 0.00 0.00 175.52 176.76 6ald s GLY 266 N -3.58 -0.35 -0.17 2.16 0.00 -1.26 -3.42 107.32 100.69 6ald s GLY 266 Ca -0.11 0.79 0.01 0.00 0.00 0.00 0.00 44.72 45.41 6ald s GLY 266 CO 0.79 0.23 -0.13 0.14 0.00 0.00 0.00 173.10 174.14 6ald s VAL 267 N -2.92 1.61 -0.60 1.40 1.01 0.15 -1.57 120.40 119.48 6ald s VAL 267 Ca 0.10 -0.80 -0.05 0.00 0.00 0.00 0.00 61.98 61.23 6ald s VAL 267 Cb -0.00 -1.58 0.16 0.00 0.00 0.00 0.00 36.38 34.95 6ald s VAL 267 CO -0.04 0.34 0.44 0.42 0.00 0.00 0.00 175.10 176.26 6ald s THR 268 N 1.45 3.96 0.62 3.92 -4.23 0.11 -0.88 115.64 120.58 6ald s THR 268 Ca 0.02 -2.62 -0.19 0.00 -1.18 0.00 0.00 61.69 57.73 6ald s THR 268 Cb -0.14 -3.58 -0.03 0.00 1.34 0.00 0.00 72.50 70.09 6ald s THR 268 CO -0.10 -0.86 1.15 0.49 -0.54 0.00 0.00 174.62 174.76 6ald n PHE 269 N 3.89 1.46 -4.03 3.99 3.72 -0.74 -4.19 117.46 121.56 6ald n PHE 269 Ca 0.05 0.43 -0.35 0.00 -0.05 0.00 0.00 57.45 57.53 6ald n PHE 269 Cb 0.40 -2.22 -0.07 0.00 -0.94 0.00 0.00 39.48 36.65 6ald n PHE 269 CO 0.00 0.00 0.00 -0.48 -0.05 0.00 0.00 176.76 176.23 6ald s LEU 270 N -3.20 4.13 0.43 4.37 0.05 -0.99 -1.36 118.68 122.11 6ald s LEU 270 Ca 0.79 0.32 0.24 0.00 0.05 0.00 0.00 54.13 55.52 6ald s LEU 270 Cb -0.40 -2.16 0.79 0.00 -2.05 0.00 0.00 46.19 42.37 6ald s LEU 270 CO 0.44 0.35 1.77 0.77 -0.55 0.00 0.00 176.35 179.13 6ald h SER 271 N 4.63 0.00 -6.56 1.48 4.64 -1.92 -3.39 113.55 112.43 6ald h SER 271 Ca -0.52 0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 60.43 6ald h SER 271 Cb 1.21 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.29 6ald h SER 271 CO 0.60 0.22 -0.75 0.61 -0.87 0.00 0.00 176.83 176.64 6ald n GLY 272 N 0.38 -0.79 2.28 -0.77 0.00 -1.26 -1.23 105.19 103.81 6ald n GLY 272 Ca 0.01 0.35 0.00 0.00 0.00 0.00 0.00 46.02 46.38 6ald n GLY 272 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 6ald n GLY 273 N -1.46 0.52 3.80 -0.02 0.00 -1.26 -4.87 105.19 101.90 6ald n GLY 273 Ca -0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.48 6ald n GLY 273 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 6ald s GLN 274 N -0.21 4.36 0.91 1.61 -0.21 -0.36 -5.05 119.66 120.71 6ald s GLN 274 Ca 0.00 0.97 -0.11 0.00 0.02 0.00 0.00 55.36 56.25 6ald s GLN 274 Cb 0.00 -3.00 0.14 0.00 1.00 0.00 0.00 33.01 31.15 6ald s GLN 274 CO 0.00 0.45 1.11 -1.54 -2.12 0.00 0.00 175.29 173.19 6ald s SER 275 N -1.48 3.11 0.15 5.90 1.04 -1.26 -4.58 113.70 116.58 6ald s SER 275 Ca 0.41 1.94 -0.18 0.00 0.48 0.00 0.00 55.95 58.60 6ald s SER 275 Cb -0.19 -2.48 0.04 0.00 0.10 0.00 0.00 66.02 63.49 6ald s SER 275 CO 0.22 -2.94 1.71 -0.33 0.98 0.00 0.00 173.24 172.88 6ald h GLU 276 N -1.76 0.08 0.03 4.02 5.08 -1.88 -0.04 114.58 120.11 6ald h GLU 276 Ca -0.46 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 57.89 6ald h GLU 276 Cb 1.27 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.50 6ald h GLU 276 CO 0.46 0.05 -0.01 1.49 -1.00 0.00 0.00 179.01 180.01 6ald h GLU 277 N 0.09 -0.03 -0.47 2.33 4.57 -1.91 -2.75 114.58 116.40 6ald h GLU 277 Ca 0.15 0.00 0.09 0.00 -1.18 0.00 0.00 59.36 58.42 6ald h GLU 277 Cb 0.20 0.01 -0.08 0.00 -0.16 0.00 0.00 28.75 28.71 6ald h GLU 277 CO -0.25 0.20 -0.07 1.49 -1.18 0.00 0.00 179.01 179.20 6ald h GLU 278 N -0.26 0.04 -0.13 1.92 4.81 -1.84 -0.41 114.58 118.70 6ald h GLU 278 Ca -0.00 -0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.18 6ald h GLU 278 Cb 0.25 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.61 6ald h GLU 278 CO 0.01 0.03 -0.13 0.00 -0.73 0.00 0.00 179.01 178.18 6ald h ALA 279 N 1.45 1.54 -0.07 2.92 0.00 -1.00 -1.83 119.26 122.27 6ald h ALA 279 Ca 0.23 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 6ald h ALA 279 Cb 0.35 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.07 6ald h ALA 279 CO -0.45 0.33 -0.34 0.77 0.00 0.00 0.00 179.25 179.57 6ald h SER 280 N 0.20 0.41 -0.50 0.00 0.02 -0.94 -2.41 113.55 110.33 6ald h SER 280 Ca 0.04 -0.65 -0.03 0.00 -0.84 0.00 0.00 61.79 60.31 6ald h SER 280 Cb 0.36 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.75 6ald h SER 280 CO 0.02 1.00 0.20 0.40 -1.14 0.00 0.00 176.83 177.31 6ald h ILE 281 N -0.15 1.21 -0.69 3.27 2.04 -1.00 -1.45 117.51 120.75 6ald h ILE 281 Ca -0.02 -0.67 -0.03 0.00 1.00 0.00 0.00 64.86 65.14 6ald h ILE 281 Cb 0.99 0.71 -0.03 0.00 -0.74 0.00 0.00 36.82 37.76 6ald h ILE 281 CO 0.07 0.25 0.30 0.78 0.00 0.00 0.00 178.15 179.55 6ald h ASN 282 N 0.67 0.92 -0.37 1.72 2.35 -1.40 0.12 115.58 119.59 6ald h ASN 282 Ca 0.17 -0.15 -0.04 0.00 -0.55 0.00 0.00 56.30 55.72 6ald h ASN 282 Cb 0.20 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.31 6ald h ASN 282 CO -0.01 0.82 0.10 0.25 -1.65 0.00 0.00 177.43 176.93 6ald h LEU 283 N 0.97 0.62 -0.01 1.61 6.46 -1.23 -0.14 115.31 123.58 6ald h LEU 283 Ca 0.23 -0.10 -0.00 0.00 -0.12 0.00 0.00 57.88 57.89 6ald h LEU 283 Cb 0.16 -0.16 -0.00 0.00 -0.73 0.00 0.00 40.66 39.93 6ald h LEU 283 CO -0.02 0.62 -0.01 -1.13 -0.62 0.00 0.00 178.44 177.28 6ald h ASN 284 N 0.65 0.03 -0.39 1.25 -1.24 -0.53 -2.18 115.58 113.16 6ald h ASN 284 Ca 0.15 -0.40 0.06 0.00 0.71 0.00 0.00 56.30 56.82 6ald h ASN 284 Cb 0.26 -0.01 -0.05 0.00 0.73 0.00 0.00 38.32 39.25 6ald h ASN 284 CO -0.00 0.42 0.07 0.00 -1.29 0.00 0.00 177.43 176.63 6ald h ALA 285 N 0.61 0.42 -0.58 1.57 0.00 -0.48 -0.27 119.26 120.52 6ald h ALA 285 Ca 0.00 0.08 0.10 0.00 0.00 0.00 0.00 54.91 55.09 6ald h ALA 285 Cb 0.41 0.12 -0.08 0.00 0.00 0.00 0.00 17.79 18.24 6ald h ALA 285 CO 0.00 -0.34 0.17 0.82 0.00 0.00 0.00 179.25 179.91 6ald h ILE 286 N 0.19 0.72 0.00 0.00 2.04 -0.97 0.22 117.51 119.71 6ald h ILE 286 Ca 0.19 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 65.94 6ald h ILE 286 Cb 0.24 0.37 0.00 0.00 -0.74 0.00 0.00 36.82 36.68 6ald h ILE 286 CO -0.26 0.06 0.00 0.59 0.00 0.00 0.00 178.15 178.54 6ald n ASN 287 N -5.06 0.27 0.05 1.72 3.02 -0.74 -2.43 115.26 112.09 6ald n ASN 287 Ca 0.08 0.55 0.11 0.00 -0.03 0.00 0.00 54.58 55.29 6ald n ASN 287 Cb 0.28 -0.61 -0.04 0.00 -0.61 0.00 0.00 39.78 38.80 6ald n ASN 287 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 6ald n LYS 288 N -1.77 0.54 -1.61 3.52 4.76 0.55 -4.72 118.16 119.42 6ald n LYS 288 Ca 0.05 0.01 -0.53 0.00 -2.87 0.00 0.00 58.31 54.97 6ald n LYS 288 Cb 0.27 -1.69 -0.06 0.00 -1.84 0.00 0.00 35.03 31.72 6ald n LYS 288 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 6ald h PRO 290 N 5.12 0.00 -7.12 0.00 0.13 -1.91 -3.45 132.00 124.77 6ald h PRO 290 Ca -0.47 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.19 6ald h PRO 290 Cb 1.33 0.00 0.22 0.00 0.13 0.00 0.00 31.00 32.67 6ald h PRO 290 CO 0.81 0.02 -0.05 1.28 -0.23 0.00 0.00 178.00 179.83 6ald n LEU 291 N -3.72 -0.36 -4.68 1.56 4.77 -1.26 -4.96 117.00 108.34 6ald n LEU 291 Ca -0.03 -0.01 -0.40 0.00 -0.03 0.00 0.00 56.01 55.54 6ald n LEU 291 Cb 0.10 -1.29 -0.05 0.00 -2.33 0.00 0.00 43.42 39.85 6ald n LEU 291 CO 0.27 -3.03 0.41 -0.22 -1.33 0.00 0.00 177.39 173.49 6ald s LEU 292 N -6.52 4.21 -0.33 2.23 0.20 -1.26 -5.04 118.68 112.17 6ald s LEU 292 Ca 0.67 1.01 0.01 0.00 0.69 0.00 0.00 54.13 56.52 6ald s LEU 292 Cb -0.24 -3.00 0.08 0.00 -0.43 0.00 0.00 46.19 42.60 6ald s LEU 292 CO 0.64 -0.23 0.03 -0.54 -0.29 0.00 0.00 176.35 175.96 6ald s LYS 293 N 1.52 1.95 0.00 1.98 3.01 -1.26 -4.97 119.74 121.96 6ald s LYS 293 Ca 0.33 -1.62 0.21 0.00 -1.01 0.00 0.00 55.97 53.88 6ald s LYS 293 Cb -0.16 -3.19 1.27 0.00 -1.01 0.00 0.00 37.83 34.73 6ald s LYS 293 CO 0.13 -0.81 1.75 -0.35 0.51 0.00 0.00 175.35 176.58 6ald n PRO 294 N 4.43 0.90 -4.19 -1.68 -0.04 -1.26 -4.82 135.00 128.34 6ald n PRO 294 Ca -0.05 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.29 6ald n PRO 294 Cb 0.42 -1.37 -0.10 0.00 -0.04 0.00 0.00 33.50 32.41 6ald n PRO 294 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 6ald s TRP 295 N -2.00 1.02 0.28 0.54 0.51 -1.26 -4.89 118.94 113.13 6ald s TRP 295 Ca 0.32 -0.79 -0.30 0.00 -2.12 0.00 0.00 56.10 53.22 6ald s TRP 295 Cb 0.15 -0.56 -0.10 0.00 -0.81 0.00 0.00 33.47 32.15 6ald s TRP 295 CO 0.25 -0.05 1.41 0.00 -0.51 0.00 0.00 176.95 178.05 6ald s ALA 296 N -3.13 3.59 -0.77 0.98 0.00 -1.22 -4.83 121.76 116.38 6ald s ALA 296 Ca 0.10 1.33 0.03 0.00 0.00 0.00 0.00 51.96 53.42 6ald s ALA 296 Cb 0.02 -3.54 0.19 0.00 0.00 0.00 0.00 23.12 19.78 6ald s ALA 296 CO -0.02 -0.74 0.59 -0.51 0.00 0.00 0.00 175.76 175.09 6ald s LEU 297 N -0.87 5.08 0.00 0.00 1.02 -1.26 0.33 118.68 122.97 6ald s LEU 297 Ca 0.56 -3.82 0.00 0.00 0.02 0.00 0.00 54.13 50.89 6ald s LEU 297 Cb -0.42 -1.73 0.00 0.00 0.02 0.00 0.00 46.19 44.06 6ald s LEU 297 CO 0.47 -0.12 0.00 1.07 0.02 0.00 0.00 176.35 177.80 6ald n THR 298 N 2.08 0.00 -4.38 5.49 5.66 -0.06 -4.66 114.28 118.42 6ald n THR 298 Ca 0.20 0.00 -0.23 0.00 -3.05 0.00 0.00 64.05 60.97 6ald n THR 298 Cb 0.36 -0.40 -0.09 0.00 -1.55 0.00 0.00 70.33 68.65 6ald n THR 298 CO 0.00 0.00 0.00 0.72 -3.05 0.00 0.00 175.07 172.74 6ald s PHE 299 N 1.17 2.51 -0.43 1.09 -0.71 -1.26 -1.80 117.98 118.55 6ald s PHE 299 Ca 0.00 -0.28 0.08 0.00 -1.04 0.00 0.00 56.93 55.69 6ald s PHE 299 Cb 0.00 -1.11 0.31 0.00 -1.21 0.00 0.00 43.02 41.01 6ald s PHE 299 CO 0.00 0.66 0.89 0.45 -1.34 0.00 0.00 175.22 175.88 6ald n SER 300 N -0.77 -1.06 -4.92 1.98 2.88 -0.46 -0.07 113.62 111.20 6ald n SER 300 Ca -0.06 -3.31 -0.26 0.00 -1.33 0.00 0.00 58.87 53.91 6ald n SER 300 Cb 0.60 0.77 -0.00 0.00 -0.75 0.00 0.00 64.21 64.82 6ald n SER 300 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 6ald s TYR 301 N -0.76 3.54 0.00 0.66 2.02 -1.01 -4.52 117.35 117.27 6ald s TYR 301 Ca 0.31 0.68 0.00 0.00 -0.37 0.00 0.00 57.07 57.68 6ald s TYR 301 Cb 0.29 -2.20 0.00 0.00 -0.40 0.00 0.00 41.96 39.65 6ald s TYR 301 CO -0.09 -0.18 0.00 0.41 -1.57 0.00 0.00 175.55 174.12 6ald n GLY 302 N -2.14 0.15 0.34 0.71 0.00 -1.26 0.59 105.19 103.58 6ald n GLY 302 Ca -0.01 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.96 6ald n GLY 302 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 6ald h ARG 303 N 0.00 1.19 0.00 1.61 3.08 -1.96 0.34 114.38 118.64 6ald h ARG 303 Ca 0.00 -0.18 0.00 0.00 0.07 0.00 0.00 59.98 59.87 6ald h ARG 303 Cb 0.00 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 29.84 6ald h ARG 303 CO 0.00 0.92 0.00 0.00 -1.07 0.00 0.00 179.97 179.82 6ald n ALA 304 N -2.41 1.46 0.03 0.04 0.00 -1.26 0.07 120.51 118.42 6ald n ALA 304 Ca 0.08 -0.03 0.01 0.00 0.00 0.00 0.00 53.44 53.50 6ald n ALA 304 Cb 0.15 -1.12 -0.01 0.00 0.00 0.00 0.00 19.45 18.46 6ald n ALA 304 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 6ald n LEU 305 N -1.37 0.03 -0.00 0.00 7.94 -0.57 -4.58 117.00 118.46 6ald n LEU 305 Ca 0.03 -0.14 0.01 0.00 -1.11 0.00 0.00 56.01 54.80 6ald n LEU 305 Cb 0.07 0.00 -0.02 0.00 0.53 0.00 0.00 43.42 44.00 6ald n LEU 305 CO 0.06 0.01 -0.44 0.00 -1.11 0.00 0.00 177.39 175.91 6ald n GLN 306 N -1.42 1.14 -0.28 1.96 6.02 0.00 -4.61 117.38 120.19 6ald n GLN 306 Ca -0.00 -0.02 -0.07 0.00 -0.01 0.00 0.00 57.00 56.90 6ald n GLN 306 Cb 0.05 -0.99 -0.07 0.00 1.02 0.00 0.00 30.24 30.25 6ald n GLN 306 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 6ald n ALA 307 N -1.50 -0.42 -0.23 -1.58 0.00 0.11 -0.74 120.51 116.15 6ald n ALA 307 Ca -0.00 0.56 -0.06 0.00 0.00 0.00 0.00 53.44 53.94 6ald n ALA 307 Cb 0.06 0.02 0.04 0.00 0.00 0.00 0.00 19.45 19.58 6ald n ALA 307 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 6ald h SER 308 N 0.00 0.77 0.32 0.00 0.02 -1.88 -2.64 113.55 110.14 6ald h SER 308 Ca 0.11 -0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 60.99 6ald h SER 308 Cb 0.27 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.61 6ald h SER 308 CO -0.62 0.59 -0.29 0.00 -1.14 0.00 0.00 176.83 175.37 6ald h ALA 309 N 1.21 -1.01 -0.97 3.77 0.00 -1.26 0.58 119.26 121.59 6ald h ALA 309 Ca 0.23 -0.12 0.30 0.00 0.00 0.00 0.00 54.91 55.33 6ald h ALA 309 Cb -0.04 0.51 -0.15 0.00 0.00 0.00 0.00 17.79 18.11 6ald h ALA 309 CO -0.04 -1.02 0.45 1.25 0.00 0.00 0.00 179.25 179.89 6ald h LEU 310 N -0.60 0.31 -0.14 0.00 5.85 -0.93 0.16 115.31 119.96 6ald h LEU 310 Ca -0.04 0.20 -0.02 0.00 0.84 0.00 0.00 57.88 58.86 6ald h LEU 310 Cb 0.52 0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.74 6ald h LEU 310 CO -0.02 -0.18 0.00 0.50 -0.34 0.00 0.00 178.44 178.41 6ald h LYS 311 N 0.25 0.24 0.00 1.25 3.64 -1.06 -1.81 116.57 119.08 6ald h LYS 311 Ca 0.69 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.99 6ald h LYS 311 Cb 1.55 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 33.34 6ald h LYS 311 CO -0.65 0.46 -0.01 0.00 -2.27 0.00 0.00 179.45 176.98 6ald h ALA 312 N 0.77 1.01 0.05 5.00 0.00 0.15 -3.18 119.26 123.05 6ald h ALA 312 Ca 0.04 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 6ald h ALA 312 Cb 0.35 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.14 6ald h ALA 312 CO 0.01 0.01 -0.02 2.35 0.00 0.00 0.00 179.25 181.59 6ald h TRP 313 N 0.00 -0.06 0.00 0.00 7.01 -0.65 -3.40 115.95 118.85 6ald h TRP 313 Ca -0.00 -0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.00 6ald h TRP 313 Cb 0.34 0.02 0.00 0.00 -2.10 0.00 0.00 29.16 27.42 6ald h TRP 313 CO 0.00 -0.03 0.00 0.41 -2.79 0.00 0.00 178.44 176.03 6ald n GLY 314 N 1.64 0.15 0.18 2.65 0.00 -0.70 -2.18 105.19 106.92 6ald n GLY 314 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 6ald n GLY 314 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 6ald n GLY 315 N -0.57 3.31 3.68 -0.02 0.00 -1.26 -4.80 105.19 105.53 6ald n GLY 315 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 6ald n GLY 315 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 6ald s LYS 316 N -0.64 4.27 0.44 1.61 -0.14 -0.93 -4.90 119.74 119.45 6ald s LYS 316 Ca 0.00 1.85 0.13 0.00 -1.36 0.00 0.00 55.97 56.59 6ald s LYS 316 Cb 0.00 -3.69 0.98 0.00 -1.68 0.00 0.00 37.83 33.44 6ald s LYS 316 CO 0.00 -0.63 2.00 0.87 -0.76 0.00 0.00 175.35 176.83 6ald h LYS 317 N 8.13 0.11 0.00 1.68 1.57 -1.96 -1.30 116.57 124.80 6ald h LYS 317 Ca -0.34 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.42 6ald h LYS 317 Cb 1.15 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.44 6ald h LYS 317 CO 0.93 0.22 0.00 1.05 -0.57 0.00 0.00 179.45 181.07 6ald h GLU 318 N 0.11 0.00 -0.30 3.15 9.09 -1.94 -2.36 114.58 122.33 6ald h GLU 318 Ca 0.02 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.43 6ald h GLU 318 Cb 0.25 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.35 6ald h GLU 318 CO 0.01 0.00 0.00 0.09 0.05 0.00 0.00 179.01 179.16 6ald n ASN 319 N -2.97 1.60 -0.10 3.06 3.02 -0.49 -4.47 115.26 114.91 6ald n ASN 319 Ca -0.01 -1.99 -0.07 0.00 -0.03 0.00 0.00 54.58 52.48 6ald n ASN 319 Cb 0.20 -0.20 -0.00 0.00 -0.61 0.00 0.00 39.78 39.16 6ald n ASN 319 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 6ald h LEU 320 N 1.76 -0.80 0.02 3.41 5.85 -1.56 -1.34 115.31 122.65 6ald h LEU 320 Ca 0.00 0.16 -0.00 0.00 0.84 0.00 0.00 57.88 58.88 6ald h LEU 320 Cb 0.40 0.40 0.00 0.00 0.37 0.00 0.00 40.66 41.83 6ald h LEU 320 CO 0.00 -0.27 -0.01 0.11 -0.34 0.00 0.00 178.44 177.93 6ald h LYS 321 N -0.19 -0.02 -0.86 1.25 6.56 -1.86 -1.62 116.57 119.82 6ald h LYS 321 Ca 0.17 0.00 0.07 0.00 -1.06 0.00 0.00 60.65 59.84 6ald h LYS 321 Cb 0.47 0.01 -0.06 0.00 -0.57 0.00 0.00 32.23 32.07 6ald h LYS 321 CO -0.47 0.10 0.56 0.00 -2.06 0.00 0.00 179.45 177.58 6ald h ALA 322 N 0.84 1.59 0.12 3.86 0.00 -1.82 -1.23 119.26 122.61 6ald h ALA 322 Ca -0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 6ald h ALA 322 Cb 0.13 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.69 6ald h ALA 322 CO 0.00 0.26 -0.06 0.00 0.00 0.00 0.00 179.25 179.46 6ald h ALA 323 N 1.54 -0.15 -0.30 0.00 0.00 -1.07 -3.11 119.26 116.17 6ald h ALA 323 Ca 0.38 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 55.11 6ald h ALA 323 Cb 0.27 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 6ald h ALA 323 CO -0.14 -0.39 0.20 1.96 0.00 0.00 0.00 179.25 180.88 6ald h GLN 324 N -0.55 0.33 -0.61 0.00 4.20 -1.00 -2.00 115.11 115.48 6ald h GLN 324 Ca -0.02 -0.02 -0.05 0.00 0.06 0.00 0.00 58.65 58.63 6ald h GLN 324 Cb 0.44 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 28.12 6ald h GLN 324 CO 0.03 0.22 0.19 1.49 -0.67 0.00 0.00 178.83 180.09 6ald h GLU 325 N 0.34 0.91 -0.39 1.46 4.57 -1.19 -0.21 114.58 120.07 6ald h GLU 325 Ca 0.12 -0.17 -0.13 0.00 -1.18 0.00 0.00 59.36 58.00 6ald h GLU 325 Cb 0.06 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 28.49 6ald h GLU 325 CO -0.03 0.78 -0.28 0.93 -1.18 0.00 0.00 179.01 179.24 6ald h GLU 326 N 0.89 0.82 0.27 1.92 4.39 -1.30 -1.27 114.58 120.30 6ald h GLU 326 Ca 0.20 -0.37 -0.01 0.00 0.34 0.00 0.00 59.36 59.52 6ald h GLU 326 Cb 0.25 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.88 6ald h GLU 326 CO -0.01 1.00 -0.13 -0.92 -1.16 0.00 0.00 179.01 177.79 6ald h TYR 327 N 0.70 -0.34 -0.67 4.33 3.20 -1.21 -2.07 116.97 120.92 6ald h TYR 327 Ca 0.08 -0.01 0.14 0.00 3.14 0.00 0.00 58.73 62.09 6ald h TYR 327 Cb 0.82 0.11 -0.04 0.00 1.54 0.00 0.00 36.73 39.16 6ald h TYR 327 CO 0.05 -0.02 0.46 0.28 -1.64 0.00 0.00 178.16 177.28 6ald h VAL 328 N -0.66 0.80 0.13 1.81 2.07 -1.04 0.97 116.25 120.33 6ald h VAL 328 Ca -0.04 -0.11 -0.01 0.00 0.82 0.00 0.00 66.70 67.37 6ald h VAL 328 Cb 0.46 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 30.69 6ald h VAL 328 CO 0.06 0.06 -0.06 0.50 0.02 0.00 0.00 177.57 178.15 6ald h LYS 329 N 0.32 -0.17 -0.38 1.57 1.63 -0.91 -1.00 116.57 117.63 6ald h LYS 329 Ca 0.32 0.01 -0.12 0.00 -0.85 0.00 0.00 60.65 60.02 6ald h LYS 329 Cb 0.83 0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 32.49 6ald h LYS 329 CO -0.08 -0.03 -0.24 0.00 -3.45 0.00 0.00 179.45 175.64 6ald h ARG 330 N -0.27 0.76 -0.70 1.90 2.47 -0.47 -0.90 114.38 117.17 6ald h ARG 330 Ca -0.02 -0.31 -0.02 0.00 -1.26 0.00 0.00 59.98 58.36 6ald h ARG 330 Cb 0.21 -0.03 -0.03 0.00 -1.65 0.00 0.00 29.97 28.47 6ald h ARG 330 CO 0.03 0.93 0.35 0.00 0.56 0.00 0.00 179.97 181.83 6ald h ALA 331 N 1.07 0.90 -0.44 0.04 0.00 -0.77 0.22 119.26 120.28 6ald h ALA 331 Ca 0.09 -0.14 -0.14 0.00 0.00 0.00 0.00 54.91 54.72 6ald h ALA 331 Cb 0.75 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 6ald h ALA 331 CO 0.06 0.46 -0.26 -0.07 0.00 0.00 0.00 179.25 179.44 6ald h LEU 332 N 0.97 0.97 -0.76 0.00 3.38 -1.03 -0.69 115.31 118.16 6ald h LEU 332 Ca 0.24 -0.39 -0.05 0.00 0.09 0.00 0.00 57.88 57.78 6ald h LEU 332 Cb 0.10 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 6ald h LEU 332 CO -0.03 1.17 0.29 0.00 0.09 0.00 0.00 178.44 179.96 6ald h ALA 333 N 0.89 0.98 0.00 1.53 0.00 -0.54 -2.82 119.26 119.30 6ald h ALA 333 Ca 0.10 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.81 6ald h ALA 333 Cb 0.83 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.33 6ald h ALA 333 CO 0.07 0.62 -0.26 -0.91 0.00 0.00 0.00 179.25 178.77 6ald h ASN 334 N 1.10 0.00 0.22 0.00 2.35 -0.48 -2.73 115.58 116.03 6ald h ASN 334 Ca 0.25 -0.02 -0.16 0.00 -0.55 0.00 0.00 56.30 55.82 6ald h ASN 334 Cb 0.24 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.60 6ald h ASN 334 CO -0.02 0.01 -0.61 -1.28 -1.65 0.00 0.00 177.43 173.88 6ald h SER 335 N 0.00 0.43 -0.04 5.81 0.87 -0.90 -2.27 113.55 117.46 6ald h SER 335 Ca 0.00 -0.25 -0.07 0.00 -1.23 0.00 0.00 61.79 60.25 6ald h SER 335 Cb 0.94 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 62.78 6ald h SER 335 CO 0.00 0.94 -0.24 -0.07 -0.53 0.00 0.00 176.83 176.93 6ald h LEU 336 N 0.28 0.27 -0.59 2.23 3.38 -1.51 -3.31 115.31 116.07 6ald h LEU 336 Ca -0.01 -0.68 0.10 0.00 0.09 0.00 0.00 57.88 57.38 6ald h LEU 336 Cb 1.14 -0.08 -0.08 0.00 0.09 0.00 0.00 40.66 41.73 6ald h LEU 336 CO 0.10 0.91 0.17 0.00 0.09 0.00 0.00 178.44 179.72 6ald h ALA 337 N 0.36 0.73 0.00 1.53 0.00 -1.45 0.43 119.26 120.86 6ald h ALA 337 Ca -0.02 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.99 6ald h ALA 337 Cb 0.92 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.82 6ald h ALA 337 CO 0.05 -0.25 0.00 0.00 0.00 0.00 0.00 179.25 179.04 6ald n GLN 339 N -0.48 1.60 -1.74 0.00 6.02 0.13 -4.51 117.38 118.39 6ald n GLN 339 Ca 0.00 -0.11 -0.06 0.00 -0.01 0.00 0.00 57.00 56.82 6ald n GLN 339 Cb 0.00 -0.48 -0.01 0.00 1.02 0.00 0.00 30.24 30.78 6ald n GLN 339 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 6ald n GLY 340 N 0.26 0.41 0.16 1.08 0.00 0.79 -4.93 105.19 102.96 6ald n GLY 340 Ca 0.00 -0.70 0.08 0.00 0.00 0.00 0.00 46.02 45.40 6ald n GLY 340 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 6ald n LYS 341 N -2.07 1.86 -1.70 1.61 5.02 -0.49 -4.91 118.16 117.48 6ald n LYS 341 Ca -0.07 -2.37 -0.42 0.00 -2.02 0.00 0.00 58.31 53.44 6ald n LYS 341 Cb 0.41 -1.43 0.00 0.00 -0.02 0.00 0.00 35.03 34.00 6ald n LYS 341 CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 6ald n TYR 342 N -1.09 2.23 -3.17 2.13 9.36 -1.25 -4.79 117.16 120.57 6ald n TYR 342 Ca 0.13 0.52 -0.28 0.00 3.32 0.00 0.00 57.90 61.60 6ald n TYR 342 Cb 0.58 -2.40 -0.06 0.00 -0.63 0.00 0.00 39.34 36.83 6ald n TYR 342 CO 0.00 0.00 0.00 0.25 0.22 0.00 0.00 176.86 177.33 6ald n THR 343 N 0.04 2.84 0.04 2.97 -2.24 -1.26 -5.00 114.28 111.68 6ald n THR 343 Ca 0.06 -5.43 0.00 0.00 -2.27 0.00 0.00 64.05 56.41 6ald n THR 343 Cb 0.38 -1.76 0.02 0.00 -2.10 0.00 0.00 70.33 66.87 6ald n THR 343 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85