#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3med s ILE 2 N 0.00 -0.00 0.28 4.25 1.01 -1.26 -4.12 121.20 121.36 3med s ILE 2 Ca 0.00 -0.44 -0.30 0.00 0.00 0.00 0.00 60.65 59.91 3med s ILE 2 Cb 0.00 -0.78 -0.13 0.00 0.01 0.00 0.00 42.46 41.56 3med s ILE 2 CO 0.00 -0.44 1.33 -0.24 0.00 0.00 0.00 174.94 175.59 3med n SER 3 N 5.24 2.63 0.00 3.58 2.88 0.19 -4.82 113.62 123.31 3med n SER 3 Ca -0.07 1.17 0.06 0.00 -1.33 0.00 0.00 58.87 58.70 3med n SER 3 Cb 0.46 -1.43 0.33 0.00 -0.75 0.00 0.00 64.21 62.82 3med n SER 3 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 3med n PRO 4 N 1.39 0.75 -1.74 -1.46 -0.04 -1.26 -4.45 135.00 128.18 3med n PRO 4 Ca 0.09 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 63.16 3med n PRO 4 Cb 0.33 -1.23 0.04 0.00 -0.04 0.00 0.00 33.50 32.60 3med n PRO 4 CO 0.00 0.00 0.00 1.51 -0.04 0.00 0.00 175.50 176.97 3med n ILE 5 N -0.73 3.64 -2.16 0.52 0.13 -1.26 -4.98 119.36 114.52 3med n ILE 5 Ca 0.08 -0.50 -0.36 0.00 -1.10 0.00 0.00 62.75 60.87 3med n ILE 5 Cb 0.04 -1.69 0.01 0.00 -0.84 0.00 0.00 39.64 37.16 3med n ILE 5 CO 0.00 0.00 0.00 -1.83 2.80 0.00 0.00 176.55 177.52 3med s GLU 6 N -2.80 3.30 0.51 9.51 1.03 -1.26 -4.82 118.70 124.18 3med s GLU 6 Ca 0.70 1.74 -0.08 0.00 0.03 0.00 0.00 54.97 57.36 3med s GLU 6 Cb -0.42 -2.07 -0.04 0.00 -0.80 0.00 0.00 34.13 30.79 3med s GLU 6 CO 0.51 -0.92 0.86 0.95 -1.33 0.00 0.00 175.26 175.33 3med s THR 7 N -1.65 4.82 -0.17 1.83 -4.23 -1.26 -5.01 115.64 109.97 3med s THR 7 Ca 0.72 0.50 -0.21 0.00 -1.18 0.00 0.00 61.69 61.53 3med s THR 7 Cb -0.28 -3.84 -0.03 0.00 1.34 0.00 0.00 72.50 69.69 3med s THR 7 CO 0.31 -0.89 0.61 -0.69 -0.54 0.00 0.00 174.62 173.43 3med s VAL 8 N -2.82 5.05 0.19 2.29 1.01 -1.26 -5.00 120.40 119.86 3med s VAL 8 Ca 0.51 1.18 -0.32 0.00 0.00 0.00 0.00 61.98 63.34 3med s VAL 8 Cb -0.10 -3.93 -0.12 0.00 0.00 0.00 0.00 36.38 32.22 3med s VAL 8 CO 0.45 0.16 1.75 -2.84 0.00 0.00 0.00 175.10 174.62 3med s PRO 9 N 1.59 4.13 0.20 2.72 0.02 -1.26 -4.32 135.00 138.08 3med s PRO 9 Ca 0.29 2.61 0.09 0.00 0.02 0.00 0.00 61.00 64.01 3med s PRO 9 Cb -0.16 -3.19 -0.04 0.00 0.02 0.00 0.00 34.50 31.13 3med s PRO 9 CO 0.11 -0.77 -0.18 0.08 -0.33 0.00 0.00 177.00 175.91 3med s VAL 10 N 1.52 1.94 0.18 3.83 1.01 -1.26 -5.09 120.40 122.54 3med s VAL 10 Ca 0.76 -2.11 -0.22 0.00 0.00 0.00 0.00 61.98 60.40 3med s VAL 10 Cb -0.49 -2.01 0.06 0.00 0.00 0.00 0.00 36.38 33.94 3med s VAL 10 CO 0.33 -0.42 0.62 -1.59 0.00 0.00 0.00 175.10 174.04 3med s LYS 11 N -3.21 1.37 0.43 2.72 -2.85 -1.26 -4.79 119.74 112.15 3med s LYS 11 Ca 0.21 -0.57 -0.12 0.00 -1.00 0.00 0.00 55.97 54.49 3med s LYS 11 Cb -0.04 0.59 -0.07 0.00 -2.06 0.00 0.00 37.83 36.25 3med s LYS 11 CO 0.08 -0.60 0.82 -0.51 0.10 0.00 0.00 175.35 175.24 3med s LEU 12 N -2.78 3.79 0.54 2.77 1.02 -1.26 -2.34 118.68 120.41 3med s LEU 12 Ca 0.03 1.24 -0.18 0.00 0.02 0.00 0.00 54.13 55.24 3med s LEU 12 Cb -0.02 -4.14 -0.14 0.00 0.02 0.00 0.00 46.19 41.91 3med s LEU 12 CO -0.09 -0.44 -0.11 0.29 0.02 0.00 0.00 176.35 176.02 3med n LYS 13 N -1.33 0.04 -0.25 1.70 5.02 -0.46 -4.68 118.16 118.19 3med n LYS 13 Ca 0.03 0.02 -0.01 0.00 -2.02 0.00 0.00 58.31 56.33 3med n LYS 13 Cb 0.54 -1.06 0.11 0.00 -0.02 0.00 0.00 35.03 34.60 3med n LYS 13 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 3med h PRO 14 N -0.05 0.73 0.10 1.97 0.13 -1.95 -2.16 132.00 130.78 3med h PRO 14 Ca -0.42 -0.04 -0.28 0.00 -0.87 0.00 0.00 66.00 64.40 3med h PRO 14 Cb 1.44 -0.16 0.02 0.00 0.13 0.00 0.00 31.00 32.42 3med h PRO 14 CO 0.41 0.48 -1.18 0.78 -0.23 0.00 0.00 178.00 178.27 3med h GLY 15 N 0.75 0.53 -0.86 1.56 0.00 -1.99 -3.48 103.07 99.57 3med h GLY 15 Ca 0.32 -1.12 -0.47 0.00 0.00 0.00 0.00 47.33 46.06 3med h GLY 15 CO -0.19 0.98 0.33 1.06 0.00 0.00 0.00 176.54 178.73 3med s MET 16 N -2.95 1.68 0.34 4.80 -1.94 -0.81 -5.09 119.30 115.33 3med s MET 16 Ca -0.07 0.41 0.03 0.00 -1.71 0.00 0.00 55.69 54.35 3med s MET 16 Cb 0.07 -1.89 -0.04 0.00 2.01 0.00 0.00 34.83 34.97 3med s MET 16 CO 0.90 -1.85 0.11 0.16 -0.01 0.00 0.00 175.02 174.33 3med s ASP 17 N -4.06 2.19 0.85 3.03 3.84 -1.26 -4.81 116.67 116.45 3med s ASP 17 Ca 0.62 -1.51 -0.11 0.00 -0.00 0.00 0.00 52.55 51.54 3med s ASP 17 Cb -0.14 0.24 0.11 0.00 -1.38 0.00 0.00 42.92 41.75 3med s ASP 17 CO 0.53 -0.79 1.16 -0.83 -0.00 0.00 0.00 175.17 175.25 3med s GLY 18 N -3.48 1.88 0.55 2.12 0.00 -1.26 -4.94 107.32 102.20 3med s GLY 18 Ca 0.32 0.65 -0.19 0.00 0.00 0.00 0.00 44.72 45.50 3med s GLY 18 CO 0.15 1.06 1.14 2.56 0.00 0.00 0.00 173.10 178.01 3med s PRO 19 N -4.46 3.29 -0.42 2.90 0.04 -1.26 -4.97 135.00 130.12 3med s PRO 19 Ca 0.69 1.62 0.10 0.00 0.04 0.00 0.00 61.00 63.44 3med s PRO 19 Cb -0.24 -2.00 0.32 0.00 0.04 0.00 0.00 34.50 32.62 3med s PRO 19 CO 0.54 -0.90 0.72 1.63 0.04 0.00 0.00 177.00 179.03 3med n LYS 20 N -1.39 1.33 -3.30 4.56 5.02 -1.25 -2.21 118.16 120.92 3med n LYS 20 Ca 0.12 -3.63 -0.39 0.00 -2.02 0.00 0.00 58.31 52.39 3med n LYS 20 Cb 0.51 -1.71 -0.06 0.00 -0.02 0.00 0.00 35.03 33.75 3med n LYS 20 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3med s VAL 21 N -2.45 4.77 0.12 -0.18 1.01 -0.76 -4.87 120.40 118.05 3med s VAL 21 Ca 0.40 1.18 -0.30 0.00 0.00 0.00 0.00 61.98 63.26 3med s VAL 21 Cb 0.29 -3.88 -0.06 0.00 0.00 0.00 0.00 36.38 32.73 3med s VAL 21 CO -0.09 0.56 1.02 -0.75 0.00 0.00 0.00 175.10 175.84 3med s LYS 22 N -1.10 4.64 -0.11 2.72 2.47 -1.26 -4.29 119.74 122.81 3med s LYS 22 Ca 0.28 1.55 -0.29 0.00 -1.56 0.00 0.00 55.97 55.96 3med s LYS 22 Cb -0.19 -3.35 -0.01 0.00 -1.46 0.00 0.00 37.83 32.82 3med s LYS 22 CO 0.18 0.13 0.97 -1.14 0.16 0.00 0.00 175.35 175.66 3med s GLN 23 N 0.00 4.41 0.58 4.03 2.00 -1.26 -4.75 119.66 124.66 3med s GLN 23 Ca 0.49 1.32 -0.09 0.00 -2.00 0.00 0.00 55.36 55.08 3med s GLN 23 Cb -0.25 -3.54 -0.03 0.00 0.80 0.00 0.00 33.01 29.98 3med s GLN 23 CO 0.31 -0.30 0.95 1.67 -0.50 0.00 0.00 175.29 177.42 3med s TRP 24 N 1.98 3.55 0.44 1.67 -2.14 -1.26 -5.04 118.94 118.15 3med s TRP 24 Ca 0.47 1.07 -0.25 0.00 2.66 0.00 0.00 56.10 60.05 3med s TRP 24 Cb -0.18 -2.62 -0.08 0.00 -3.10 0.00 0.00 33.47 27.49 3med s TRP 24 CO 0.17 -0.62 1.26 -2.14 -2.66 0.00 0.00 176.95 172.97 3med s PRO 25 N -5.05 3.80 0.25 3.25 0.02 -1.26 -4.88 135.00 131.14 3med s PRO 25 Ca 0.53 2.04 0.10 0.00 0.02 0.00 0.00 61.00 63.69 3med s PRO 25 Cb -0.11 -2.59 -0.04 0.00 0.02 0.00 0.00 34.50 31.78 3med s PRO 25 CO 0.50 -0.60 -0.08 -0.51 -0.33 0.00 0.00 177.00 175.98 3med s LEU 26 N -2.75 2.96 1.27 -5.54 2.01 -1.26 -5.12 118.68 110.25 3med s LEU 26 Ca 0.61 -0.75 -0.16 0.00 0.01 0.00 0.00 54.13 53.84 3med s LEU 26 Cb -0.35 -1.52 0.32 0.00 0.01 0.00 0.00 46.19 44.65 3med s LEU 26 CO 0.44 0.03 0.99 0.42 1.01 0.00 0.00 176.35 179.24 3med s THR 27 N -2.24 1.72 -0.09 5.49 -4.23 -1.26 -4.76 115.64 110.27 3med s THR 27 Ca 0.29 0.00 0.14 0.00 -1.18 0.00 0.00 61.69 60.95 3med s THR 27 Cb -0.06 -2.06 -0.10 0.00 1.34 0.00 0.00 72.50 71.62 3med s THR 27 CO 0.17 0.00 1.06 -0.08 -0.54 0.00 0.00 174.62 175.23 3med h GLU 28 N -2.96 0.00 0.00 3.99 4.81 -2.00 -2.40 114.58 116.01 3med h GLU 28 Ca -0.56 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 58.55 3med h GLU 28 Cb 1.34 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.70 3med h GLU 28 CO 0.43 0.48 -0.56 1.05 -0.73 0.00 0.00 179.01 179.68 3med h GLU 29 N 0.00 0.00 0.03 1.92 4.11 -1.99 -1.90 114.58 116.74 3med h GLU 29 Ca -0.11 0.00 -0.28 0.00 0.07 0.00 0.00 59.36 59.05 3med h GLU 29 Cb 1.61 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.88 3med h GLU 29 CO 0.07 0.56 -1.09 0.87 0.07 0.00 0.00 179.01 179.49 3med h LYS 30 N 0.00 0.69 -0.41 1.06 1.57 -1.90 -2.14 116.57 115.43 3med h LYS 30 Ca -0.01 -0.78 -0.08 0.00 -1.87 0.00 0.00 60.65 57.91 3med h LYS 30 Cb 1.02 0.23 -0.02 0.00 0.08 0.00 0.00 32.23 33.54 3med h LYS 30 CO 0.07 1.35 -0.09 0.82 -0.57 0.00 0.00 179.45 181.03 3med h ILE 31 N 0.37 1.25 -0.36 1.86 2.04 -1.37 -1.49 117.51 119.80 3med h ILE 31 Ca -0.14 -1.10 -0.01 0.00 1.00 0.00 0.00 64.86 64.61 3med h ILE 31 Cb 1.75 1.02 -0.02 0.00 -0.74 0.00 0.00 36.82 38.84 3med h ILE 31 CO 0.21 0.37 0.19 0.50 0.00 0.00 0.00 178.15 179.43 3med h LYS 32 N 0.66 0.51 -0.59 2.37 3.64 -1.29 -2.03 116.57 119.83 3med h LYS 32 Ca 0.12 -0.06 -0.04 0.00 -1.27 0.00 0.00 60.65 59.39 3med h LYS 32 Cb 0.53 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.23 3med h LYS 32 CO 0.03 0.43 0.21 0.00 -2.27 0.00 0.00 179.45 177.85 3med h ALA 33 N 1.05 0.78 -0.83 5.00 0.00 -1.10 -2.73 119.26 121.43 3med h ALA 33 Ca 0.13 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3med h ALA 33 Cb 0.07 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 3med h ALA 33 CO -0.02 0.42 0.54 -0.07 0.00 0.00 0.00 179.25 180.12 3med h LEU 34 N 0.83 0.97 -0.61 0.00 4.07 -1.11 -0.62 115.31 118.85 3med h LEU 34 Ca 0.19 -0.04 -0.09 0.00 0.08 0.00 0.00 57.88 58.03 3med h LEU 34 Cb 0.25 -0.24 -0.02 0.00 1.08 0.00 0.00 40.66 41.72 3med h LEU 34 CO -0.01 0.72 0.05 0.58 -1.08 0.00 0.00 178.44 178.70 3med h VAL 35 N 1.14 1.26 0.01 1.22 2.07 -1.12 0.41 116.25 121.24 3med h VAL 35 Ca 0.30 -1.09 -0.26 0.00 0.82 0.00 0.00 66.70 66.47 3med h VAL 35 Cb -0.10 0.76 0.02 0.00 -1.52 0.00 0.00 31.29 30.45 3med h VAL 35 CO -0.06 0.40 -1.04 1.05 0.02 0.00 0.00 177.57 177.93 3med h GLU 36 N 0.96 0.63 0.03 1.57 4.11 -1.25 -1.17 114.58 119.44 3med h GLU 36 Ca 0.18 -0.69 0.02 0.00 0.07 0.00 0.00 59.36 58.94 3med h GLU 36 Cb 0.50 0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.92 3med h GLU 36 CO 0.02 1.28 -0.18 0.82 0.07 0.00 0.00 179.01 181.03 3med h ILE 37 N 0.35 0.57 -0.03 -1.06 1.08 -1.00 -1.80 117.51 115.61 3med h ILE 37 Ca -0.12 0.00 -0.10 0.00 -0.39 0.00 0.00 64.86 64.25 3med h ILE 37 Cb 1.70 0.57 -0.01 0.00 -3.07 0.00 0.00 36.82 36.00 3med h ILE 37 CO 0.20 0.00 -0.44 0.00 -0.69 0.00 0.00 178.15 177.22 3med h THR 39 N 0.06 1.25 -0.16 0.00 2.02 -1.08 0.19 112.91 115.19 3med h THR 39 Ca 0.00 -1.06 -0.02 0.00 0.77 0.00 0.00 66.41 66.09 3med h THR 39 Cb 0.80 0.87 -0.01 0.00 -1.74 0.00 0.00 68.15 68.08 3med h THR 39 CO 0.06 0.38 0.01 -0.08 0.37 0.00 0.00 175.52 176.26 3med h GLU 40 N 0.80 0.28 -0.50 6.66 4.81 -0.55 -2.82 114.58 123.26 3med h GLU 40 Ca 0.15 -0.08 -0.02 0.00 -0.13 0.00 0.00 59.36 59.28 3med h GLU 40 Cb 0.50 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.82 3med h GLU 40 CO 0.02 0.48 0.24 0.52 -0.73 0.00 0.00 179.01 179.55 3med h MET 41 N 0.05 0.69 -0.17 1.92 2.86 -0.89 -2.94 114.93 116.45 3med h MET 41 Ca 0.05 -0.08 -0.18 0.00 -2.06 0.00 0.00 59.70 57.43 3med h MET 41 Cb 0.35 -0.14 -0.00 0.00 0.06 0.00 0.00 31.60 31.87 3med h MET 41 CO 0.01 0.54 -0.61 1.49 1.06 0.00 0.00 176.91 179.39 3med h GLU 42 N 0.69 0.59 0.00 1.72 4.81 -0.59 -1.44 114.58 120.37 3med h GLU 42 Ca 0.17 -0.40 0.00 0.00 -0.13 0.00 0.00 59.36 59.00 3med h GLU 42 Cb 0.07 0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.51 3med h GLU 42 CO -0.02 1.02 0.00 0.87 -0.73 0.00 0.00 179.01 180.15 3med h LYS 43 N 0.44 0.00 -0.02 1.92 1.57 -1.33 -2.31 116.57 116.84 3med h LYS 43 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3med h LYS 43 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.49 3med h LYS 43 CO 0.12 0.00 -0.27 0.39 -0.57 0.00 0.00 179.45 179.11 3med n GLU 44 N -2.44 1.64 0.00 3.15 1.02 -1.02 -4.97 120.64 118.01 3med n GLU 44 Ca 0.02 -1.31 0.00 0.00 -0.02 0.00 0.00 57.16 55.84 3med n GLU 44 Cb 0.24 -1.44 0.00 0.00 -0.02 0.00 0.00 31.44 30.22 3med n GLU 44 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3med n GLY 45 N 1.33 1.25 0.19 0.62 0.00 -0.87 -4.91 105.19 102.80 3med n GLY 45 Ca 0.10 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.05 3med n GLY 45 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3med h LYS 46 N 3.20 0.57 -5.63 1.61 1.79 -1.51 -3.42 116.57 113.18 3med h LYS 46 Ca 0.00 -0.04 -0.60 0.00 -2.18 0.00 0.00 60.65 57.83 3med h LYS 46 Cb 0.00 -0.12 -0.13 0.00 -1.58 0.00 0.00 32.23 30.39 3med h LYS 46 CO 0.00 0.39 -0.62 0.96 -1.08 0.00 0.00 179.45 179.11 3med s ILE 47 N -6.10 1.91 0.02 1.86 -4.36 -1.23 -0.68 121.20 112.62 3med s ILE 47 Ca -0.13 -2.03 -0.12 0.00 -0.26 0.00 0.00 60.65 58.11 3med s ILE 47 Cb 0.11 -2.90 0.01 0.00 1.25 0.00 0.00 42.46 40.93 3med s ILE 47 CO 0.73 -0.04 0.25 -0.94 0.24 0.00 0.00 174.94 175.18 3med s SER 48 N -3.65 -0.07 0.33 4.36 1.04 -0.74 -4.41 113.70 110.54 3med s SER 48 Ca 0.35 -0.16 -0.29 0.00 0.48 0.00 0.00 55.95 56.33 3med s SER 48 Cb 0.09 0.30 -0.10 0.00 0.10 0.00 0.00 66.02 66.40 3med s SER 48 CO 0.17 -0.51 1.24 -0.54 0.98 0.00 0.00 173.24 174.59 3med s LYS 49 N -1.98 4.40 0.22 4.02 1.02 -1.26 -2.30 119.74 123.85 3med s LYS 49 Ca -0.09 2.07 0.09 0.00 0.02 0.00 0.00 55.97 58.06 3med s LYS 49 Cb -0.03 -3.06 -0.05 0.00 -0.52 0.00 0.00 37.83 34.17 3med s LYS 49 CO -0.00 -0.10 -0.17 0.96 -0.92 0.00 0.00 175.35 175.11 3med s ILE 50 N -1.17 2.02 0.61 2.17 -4.36 -0.38 -4.91 121.20 115.18 3med s ILE 50 Ca 0.49 -2.21 -0.07 0.00 -0.26 0.00 0.00 60.65 58.60 3med s ILE 50 Cb -0.37 -2.09 0.01 0.00 1.25 0.00 0.00 42.46 41.26 3med s ILE 50 CO 0.48 -0.46 0.93 -0.83 0.24 0.00 0.00 174.94 175.31 3med s GLY 51 N -3.22 1.61 0.00 6.27 0.00 -1.26 -4.58 107.32 106.14 3med s GLY 51 Ca 0.23 -0.67 0.07 0.00 0.00 0.00 0.00 44.72 44.36 3med s GLY 51 CO 0.09 -0.37 0.96 -1.55 0.00 0.00 0.00 173.10 172.24 3med n PRO 52 N -2.66 0.20 -0.33 2.90 -0.04 -1.26 -2.19 135.00 131.62 3med n PRO 52 Ca 0.05 0.06 0.19 0.00 -0.04 0.00 0.00 63.50 63.76 3med n PRO 52 Cb 0.58 -1.50 0.40 0.00 -0.04 0.00 0.00 33.50 32.93 3med n PRO 52 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3med h GLU 53 N 0.00 0.43 -6.46 0.54 4.39 -2.03 -3.41 114.58 108.04 3med h GLU 53 Ca 0.00 -0.03 -0.57 0.00 0.34 0.00 0.00 59.36 59.11 3med h GLU 53 Cb 0.02 -0.10 -0.05 0.00 -0.10 0.00 0.00 28.75 28.52 3med h GLU 53 CO 0.00 0.29 0.99 1.21 -1.16 0.00 0.00 179.01 180.34 3med s ASN 54 N -5.09 6.57 0.59 1.42 2.47 -0.93 -4.91 114.94 115.07 3med s ASN 54 Ca -0.11 0.97 0.37 0.00 0.42 0.00 0.00 52.86 54.51 3med s ASN 54 Cb 0.28 -2.54 1.83 0.00 -1.45 0.00 0.00 41.25 39.37 3med s ASN 54 CO 0.79 -1.21 2.17 -0.65 -3.72 0.00 0.00 177.10 174.48 3med h PRO 55 N 9.68 0.00 -6.12 0.43 0.11 -1.92 -3.46 132.00 130.72 3med h PRO 55 Ca -0.26 0.00 -0.55 0.00 0.11 0.00 0.00 66.00 65.30 3med h PRO 55 Cb 1.09 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.18 3med h PRO 55 CO 1.06 0.03 -0.39 0.71 -0.21 0.00 0.00 178.00 179.20 3med s TYR 56 N -4.01 3.49 -0.00 0.65 2.02 -1.26 -4.83 117.35 113.40 3med s TYR 56 Ca -0.02 0.28 -0.25 0.00 -0.37 0.00 0.00 57.07 56.71 3med s TYR 56 Cb 0.12 -1.80 0.06 0.00 -0.40 0.00 0.00 41.96 39.93 3med s TYR 56 CO 0.50 0.45 0.56 1.21 -1.57 0.00 0.00 175.55 176.71 3med s ASN 57 N -3.02 -0.51 -0.02 2.29 2.47 -0.94 -4.66 114.94 110.55 3med s ASN 57 Ca 0.37 0.40 -0.02 0.00 0.42 0.00 0.00 52.86 54.03 3med s ASN 57 Cb -0.11 0.49 0.01 0.00 -1.45 0.00 0.00 41.25 40.18 3med s ASN 57 CO 0.28 -0.64 0.06 -0.89 -3.72 0.00 0.00 177.10 172.19 3med s THR 58 N -1.75 -0.00 0.23 -5.21 2.01 -0.35 -1.82 115.64 108.75 3med s THR 58 Ca -0.09 0.01 -0.30 0.00 0.31 0.00 0.00 61.69 61.62 3med s THR 58 Cb -0.01 -0.09 -0.10 0.00 0.01 0.00 0.00 72.50 72.31 3med s THR 58 CO 0.04 0.01 1.46 -2.84 -0.69 0.00 0.00 174.62 172.59 3med s PRO 59 N 0.10 4.26 0.29 4.92 0.02 -1.26 -4.16 135.00 139.16 3med s PRO 59 Ca -0.01 2.30 0.10 0.00 0.02 0.00 0.00 61.00 63.42 3med s PRO 59 Cb -0.01 -3.12 -0.05 0.00 0.02 0.00 0.00 34.50 31.34 3med s PRO 59 CO -0.00 -0.45 -0.09 0.14 -0.33 0.00 0.00 177.00 176.27 3med s VAL 60 N 0.17 2.83 0.19 3.83 -7.23 -1.26 -1.32 120.40 117.61 3med s VAL 60 Ca 0.61 -2.15 -0.09 0.00 -1.81 0.00 0.00 61.98 58.54 3med s VAL 60 Cb -0.42 -2.59 0.04 0.00 0.56 0.00 0.00 36.38 33.96 3med s VAL 60 CO 0.41 -0.35 0.47 2.22 -0.31 0.00 0.00 175.10 177.55 3med n PHE 61 N -0.78 -1.60 -3.79 2.82 -1.74 -0.35 -4.93 117.46 107.09 3med n PHE 61 Ca -0.05 -0.96 -0.13 0.00 -0.56 0.00 0.00 57.45 55.75 3med n PHE 61 Cb 0.60 0.48 -0.10 0.00 1.52 0.00 0.00 39.48 41.98 3med n PHE 61 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 3med s ALA 62 N -1.60 -0.65 0.15 1.98 0.00 -1.26 -1.13 121.76 119.24 3med s ALA 62 Ca 0.10 0.38 0.07 0.00 0.00 0.00 0.00 51.96 52.51 3med s ALA 62 Cb -0.02 -0.09 -0.04 0.00 0.00 0.00 0.00 23.12 22.96 3med s ALA 62 CO 0.06 -0.21 -0.16 0.42 0.00 0.00 0.00 175.76 175.87 3med s ILE 63 N -0.86 1.58 0.26 0.00 1.01 -1.00 -4.94 121.20 117.25 3med s ILE 63 Ca -0.09 -1.83 -0.29 0.00 0.00 0.00 0.00 60.65 58.43 3med s ILE 63 Cb -0.05 -1.71 -0.09 0.00 0.01 0.00 0.00 42.46 40.62 3med s ILE 63 CO 0.02 -0.37 0.95 -1.59 0.00 0.00 0.00 174.94 173.95 3med s LYS 64 N -2.77 4.77 -0.36 2.79 -2.85 -1.26 -1.35 119.74 118.72 3med s LYS 64 Ca 0.13 1.47 -0.18 0.00 -1.00 0.00 0.00 55.97 56.39 3med s LYS 64 Cb -0.05 -3.16 -0.00 0.00 -2.06 0.00 0.00 37.83 32.56 3med s LYS 64 CO 0.05 0.44 0.52 0.21 0.10 0.00 0.00 175.35 176.67 3med s LYS 65 N -1.41 3.57 -1.48 1.78 2.20 0.27 -4.62 119.74 120.05 3med s LYS 65 Ca 0.43 -0.20 -0.11 0.00 -0.36 0.00 0.00 55.97 55.73 3med s LYS 65 Cb -0.25 -3.83 0.07 0.00 -1.51 0.00 0.00 37.83 32.31 3med s LYS 65 CO 0.31 -0.68 0.85 1.63 -0.36 0.00 0.00 175.35 177.10 3med n LYS 66 N 5.78 -5.24 0.00 4.03 4.76 -1.26 0.11 118.16 126.34 3med n LYS 66 Ca -0.05 0.64 0.00 0.00 -2.87 0.00 0.00 58.31 56.03 3med n LYS 66 Cb 0.49 -5.51 0.00 0.00 -1.84 0.00 0.00 35.03 28.17 3med n LYS 66 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 3med n ASP 67 N -2.69 0.00 -2.58 4.39 2.03 -1.26 -4.94 116.55 111.49 3med n ASP 67 Ca 0.01 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.32 3med n ASP 67 Cb 0.54 -0.71 0.00 0.00 -0.72 0.00 0.00 41.12 40.24 3med n ASP 67 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 3med n SER 68 N 0.00 -0.58 -1.07 1.67 2.88 0.31 -4.99 113.62 111.84 3med n SER 68 Ca 0.00 -0.50 -0.02 0.00 -1.33 0.00 0.00 58.87 57.02 3med n SER 68 Cb 0.00 0.00 0.20 0.00 -0.75 0.00 0.00 64.21 63.66 3med n SER 68 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 3med n THR 69 N -1.94 2.49 -3.93 2.46 -1.04 -1.26 -4.36 114.28 106.70 3med n THR 69 Ca 0.00 -2.83 -0.22 0.00 -2.04 0.00 0.00 64.05 58.96 3med n THR 69 Cb 0.00 -0.31 -0.05 0.00 -1.82 0.00 0.00 70.33 68.16 3med n THR 69 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 3med s LYS 70 N -3.25 2.54 0.16 -2.82 1.02 -1.26 -4.96 119.74 111.18 3med s LYS 70 Ca 0.43 -1.44 0.11 0.00 0.02 0.00 0.00 55.97 55.09 3med s LYS 70 Cb 0.40 -2.32 -0.04 0.00 -0.52 0.00 0.00 37.83 35.35 3med s LYS 70 CO -0.01 0.08 -0.23 -1.58 -0.92 0.00 0.00 175.35 172.68 3med s TRP 71 N -2.38 2.36 -0.04 3.18 0.52 -1.26 0.96 118.94 122.28 3med s TRP 71 Ca 0.40 -0.34 0.05 0.00 0.02 0.00 0.00 56.10 56.22 3med s TRP 71 Cb -0.04 -1.21 -0.01 0.00 -1.15 0.00 0.00 33.47 31.07 3med s TRP 71 CO 0.25 0.44 -0.18 0.50 0.02 0.00 0.00 176.95 177.98 3med s ARG 72 N -2.44 1.77 -0.14 4.98 6.06 -0.45 -4.89 118.95 123.84 3med s ARG 72 Ca 0.19 -0.64 -0.29 0.00 -2.50 0.00 0.00 55.73 52.48 3med s ARG 72 Cb -0.09 -1.57 -0.02 0.00 0.06 0.00 0.00 34.95 33.33 3med s ARG 72 CO 0.09 0.29 1.35 0.21 -2.50 0.00 0.00 175.30 174.74 3med s LYS 73 N -0.08 4.22 -0.13 5.12 2.20 -1.26 -2.38 119.74 127.43 3med s LYS 73 Ca -0.01 1.78 -0.04 0.00 -0.36 0.00 0.00 55.97 57.34 3med s LYS 73 Cb -0.11 -3.81 -0.03 0.00 -1.51 0.00 0.00 37.83 32.37 3med s LYS 73 CO 0.02 -0.73 -0.00 -0.51 -0.36 0.00 0.00 175.35 173.76 3med s LEU 74 N 3.58 3.49 -0.05 5.43 1.43 -0.29 -5.01 118.68 127.26 3med s LEU 74 Ca 0.59 0.02 0.06 0.00 -1.03 0.00 0.00 54.13 53.77 3med s LEU 74 Cb -0.24 -1.83 -0.01 0.00 0.03 0.00 0.00 46.19 44.13 3med s LEU 74 CO 0.18 0.26 -0.24 -0.69 0.23 0.00 0.00 176.35 176.09 3med s VAL 75 N -0.14 1.95 -0.61 -1.59 1.01 -1.26 -1.21 120.40 118.54 3med s VAL 75 Ca 0.04 -1.01 -0.15 0.00 0.00 0.00 0.00 61.98 60.87 3med s VAL 75 Cb -0.13 -1.65 0.15 0.00 0.00 0.00 0.00 36.38 34.76 3med s VAL 75 CO 0.02 0.54 0.55 -0.62 0.00 0.00 0.00 175.10 175.60 3med s ASP 76 N -0.14 6.27 0.00 3.32 2.15 -0.44 -4.89 116.67 122.94 3med s ASP 76 Ca -0.03 -2.06 0.21 0.00 0.43 0.00 0.00 52.55 51.09 3med s ASP 76 Cb -0.13 -2.18 0.66 0.00 -0.30 0.00 0.00 42.92 40.97 3med s ASP 76 CO 0.03 -0.76 1.50 0.49 -0.17 0.00 0.00 175.17 176.27 3med n PHE 77 N 4.84 0.27 -0.07 -5.34 3.72 -1.26 -4.32 117.46 115.30 3med n PHE 77 Ca -0.06 -0.14 -0.02 0.00 -0.05 0.00 0.00 57.45 57.19 3med n PHE 77 Cb 0.42 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.94 3med n PHE 77 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 3med n ARG 78 N 0.57 -0.08 0.08 -1.08 1.74 -1.26 0.75 116.66 117.39 3med n ARG 78 Ca 0.17 0.31 -0.09 0.00 -0.77 0.00 0.00 57.85 57.46 3med n ARG 78 Cb 0.38 -0.45 -0.00 0.00 -1.02 0.00 0.00 32.46 31.37 3med n ARG 78 CO 0.00 0.00 0.00 1.49 -1.52 0.00 0.00 177.63 177.60 3med h GLU 79 N 0.00 0.21 -0.17 5.56 4.57 -1.99 -1.08 114.58 121.68 3med h GLU 79 Ca 0.03 -0.22 -0.03 0.00 -1.18 0.00 0.00 59.36 57.95 3med h GLU 79 Cb 0.07 0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.72 3med h GLU 79 CO -0.16 0.95 -0.03 1.25 -1.18 0.00 0.00 179.01 179.84 3med h LEU 80 N 0.12 0.31 -0.86 1.64 6.46 -0.83 -2.58 115.31 119.57 3med h LEU 80 Ca -0.04 -0.35 0.03 0.00 -0.12 0.00 0.00 57.88 57.39 3med h LEU 80 Cb 1.49 -0.09 -0.05 0.00 -0.73 0.00 0.00 40.66 41.28 3med h LEU 80 CO 0.13 0.59 0.56 0.78 -0.62 0.00 0.00 178.44 179.88 3med h ASN 81 N 0.03 0.93 0.35 1.25 2.35 0.46 0.15 115.58 121.10 3med h ASN 81 Ca 0.04 -0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.78 3med h ASN 81 Cb 0.45 -0.21 -0.00 0.00 0.05 0.00 0.00 38.32 38.61 3med h ASN 81 CO 0.01 0.65 -0.03 0.50 -1.65 0.00 0.00 177.43 176.92 3med h LYS 82 N 1.09 0.00 -0.05 0.81 3.64 -1.10 -2.06 116.57 118.90 3med h LYS 82 Ca 0.34 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.72 3med h LYS 82 Cb -0.02 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.80 3med h LYS 82 CO -0.11 0.03 0.00 0.54 -2.27 0.00 0.00 179.45 177.64 3med n ARG 83 N -3.26 1.46 -3.59 1.90 1.74 0.37 -4.95 116.66 110.32 3med n ARG 83 Ca -0.02 -1.57 -0.35 0.00 -0.77 0.00 0.00 57.85 55.14 3med n ARG 83 Cb 0.17 -1.33 -0.06 0.00 -1.02 0.00 0.00 32.46 30.22 3med n ARG 83 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3med s THR 84 N -1.41 5.12 0.94 0.55 2.01 -0.25 -1.36 115.64 121.24 3med s THR 84 Ca 0.21 0.47 -0.12 0.00 0.31 0.00 0.00 61.69 62.56 3med s THR 84 Cb 0.15 -3.64 0.07 0.00 0.01 0.00 0.00 72.50 69.08 3med s THR 84 CO 0.22 0.35 0.60 0.00 -0.69 0.00 0.00 174.62 175.09 3med n GLN 85 N 1.08 -0.34 -2.77 4.92 10.64 -0.99 -4.49 117.38 125.43 3med n GLN 85 Ca -0.09 -0.05 -0.33 0.00 -1.83 0.00 0.00 57.00 54.70 3med n GLN 85 Cb 0.52 -1.99 -0.06 0.00 -0.86 0.00 0.00 30.24 27.85 3med n GLN 85 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 3med s ASP 86 N -2.18 6.86 0.32 2.61 1.11 -1.26 -4.95 116.67 119.17 3med s ASP 86 Ca 0.59 1.62 0.10 0.00 0.18 0.00 0.00 52.55 55.04 3med s ASP 86 Cb -0.22 -2.52 -0.05 0.00 1.07 0.00 0.00 42.92 41.20 3med s ASP 86 CO 0.65 -0.39 -0.06 -0.36 1.18 0.00 0.00 175.17 176.19 3med s PHE 87 N -2.25 2.48 0.29 4.23 0.08 -1.26 -5.10 117.98 116.44 3med s PHE 87 Ca 0.61 -0.41 -0.30 0.00 0.12 0.00 0.00 56.93 56.95 3med s PHE 87 Cb -0.09 -1.34 -0.12 0.00 -0.57 0.00 0.00 43.02 40.90 3med s PHE 87 CO 0.17 0.56 1.53 1.87 -0.10 0.00 0.00 175.22 179.26 3med n TRP 88 N -0.85 2.66 -1.94 0.36 -0.00 -1.26 -4.94 117.44 111.48 3med n TRP 88 Ca -0.05 0.32 -0.39 0.00 -0.00 0.00 0.00 57.50 57.38 3med n TRP 88 Cb 0.62 -2.55 0.01 0.00 -0.00 0.00 0.00 31.31 29.38 3med n TRP 88 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 177.69 176.48 3med s GLU 89 N -0.63 3.79 0.00 5.87 0.41 -1.26 -4.88 118.70 122.00 3med s GLU 89 Ca 0.64 2.25 0.00 0.00 -0.41 0.00 0.00 54.97 57.45 3med s GLU 89 Cb -0.54 -2.67 0.00 0.00 -1.78 0.00 0.00 34.13 29.15 3med s GLU 89 CO 0.50 -0.67 0.37 0.28 -0.49 0.00 0.00 175.26 175.25 3med n VAL 90 N -0.11 0.00 -4.28 2.63 0.31 -1.26 -4.81 118.33 110.82 3med n VAL 90 Ca 0.05 0.75 -0.34 0.00 -0.01 0.00 0.00 64.34 64.78 3med n VAL 90 Cb 0.43 -1.50 -0.10 0.00 -0.91 0.00 0.00 33.84 31.75 3med n VAL 90 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 3med s GLN 91 N -0.74 3.52 0.00 5.55 -0.21 -1.26 -4.96 119.66 121.56 3med s GLN 91 Ca 0.00 -0.43 0.22 0.00 0.02 0.00 0.00 55.36 55.17 3med s GLN 91 Cb 0.00 -2.96 1.10 0.00 1.00 0.00 0.00 33.01 32.15 3med s GLN 91 CO 0.00 0.42 1.71 1.28 -2.12 0.00 0.00 175.29 176.57 3med n LEU 92 N 3.03 0.00 0.00 2.90 4.77 -1.26 -4.96 117.00 121.48 3med n LEU 92 Ca -0.18 0.30 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 3med n LEU 92 Cb 0.53 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 3med n LEU 92 CO 0.32 -0.08 0.00 0.61 -1.33 0.00 0.00 177.39 176.91 3med n GLY 93 N 0.58 2.45 3.49 -0.72 0.00 -1.26 -5.16 105.19 104.57 3med n GLY 93 Ca 0.10 -1.45 -0.29 0.00 0.00 0.00 0.00 46.02 44.38 3med n GLY 93 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3med s ILE 94 N -1.95 2.80 0.63 -0.61 -4.36 -1.26 -5.09 121.20 111.35 3med s ILE 94 Ca 0.00 -1.60 -0.17 0.00 -0.26 0.00 0.00 60.65 58.61 3med s ILE 94 Cb 0.00 -2.30 -0.02 0.00 1.25 0.00 0.00 42.46 41.39 3med s ILE 94 CO 0.00 0.04 1.19 -2.16 0.24 0.00 0.00 174.94 174.25 3med s PRO 95 N -2.30 2.80 -0.09 0.37 0.04 -1.26 -5.00 135.00 129.57 3med s PRO 95 Ca 0.19 1.73 -0.06 0.00 0.04 0.00 0.00 61.00 62.91 3med s PRO 95 Cb -0.10 -1.92 -0.04 0.00 0.04 0.00 0.00 34.50 32.48 3med s PRO 95 CO 0.11 -1.31 0.15 -1.58 0.04 0.00 0.00 177.00 174.40 3med s HIS 96 N -1.79 3.58 0.27 0.56 2.46 -1.26 -5.00 115.29 114.10 3med s HIS 96 Ca 0.75 0.47 0.00 0.00 0.47 0.00 0.00 55.06 56.75 3med s HIS 96 Cb -0.28 -1.90 0.53 0.00 -0.13 0.00 0.00 32.58 30.79 3med s HIS 96 CO 0.36 0.71 1.82 -1.35 -2.47 0.00 0.00 174.74 173.81 3med h PRO 97 N 4.64 0.87 0.00 2.88 0.11 -1.96 -0.99 132.00 137.55 3med h PRO 97 Ca -0.53 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.53 3med h PRO 97 Cb 1.22 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.13 3med h PRO 97 CO 0.61 0.57 0.21 0.00 -0.21 0.00 0.00 178.00 179.18 3med h ALA 98 N 1.53 1.16 -0.00 -0.75 0.00 -1.84 0.32 119.26 119.68 3med h ALA 98 Ca 0.48 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.39 3med h ALA 98 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.30 3med h ALA 98 CO -0.28 -0.16 -0.67 0.41 0.00 0.00 0.00 179.25 178.55 3med n GLY 99 N -1.25 -0.41 3.76 0.00 0.00 -0.38 -4.12 105.19 102.79 3med n GLY 99 Ca -0.01 -0.49 -0.39 0.00 0.00 0.00 0.00 46.02 45.12 3med n GLY 99 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3med s LEU 100 N -2.60 4.46 0.51 0.99 1.02 0.11 -4.69 118.68 118.48 3med s LEU 100 Ca 0.09 2.19 -0.06 0.00 0.02 0.00 0.00 54.13 56.37 3med s LEU 100 Cb 0.13 -3.76 -0.03 0.00 0.02 0.00 0.00 46.19 42.55 3med s LEU 100 CO 0.62 -0.20 0.82 -0.54 0.02 0.00 0.00 176.35 177.06 3med s LYS 101 N -1.68 3.47 0.25 1.70 1.02 -1.26 -1.47 119.74 121.76 3med s LYS 101 Ca 0.47 0.22 -0.25 0.00 0.02 0.00 0.00 55.97 56.44 3med s LYS 101 Cb -0.29 -2.34 -0.09 0.00 -0.52 0.00 0.00 37.83 34.59 3med s LYS 101 CO 0.37 -0.29 0.85 -1.59 -0.92 0.00 0.00 175.35 173.76 3med s LYS 102 N -4.81 4.53 -0.00 1.68 -2.85 -1.26 -4.90 119.74 112.14 3med s LYS 102 Ca 0.49 1.19 0.03 0.00 -1.00 0.00 0.00 55.97 56.69 3med s LYS 102 Cb -0.10 -2.99 -0.01 0.00 -2.06 0.00 0.00 37.83 32.66 3med s LYS 102 CO 0.46 0.41 -0.11 -0.80 0.10 0.00 0.00 175.35 175.41 3med s ASN 103 N -1.46 1.31 0.06 0.03 0.01 -0.88 -4.84 114.94 109.18 3med s ASN 103 Ca 0.44 -0.24 -0.21 0.00 -0.71 0.00 0.00 52.86 52.14 3med s ASN 103 Cb -0.20 -0.13 -0.12 0.00 0.41 0.00 0.00 41.25 41.20 3med s ASN 103 CO 0.25 0.11 1.51 0.11 -1.51 0.00 0.00 177.10 177.57 3med h LYS 104 N 5.72 0.25 -4.20 -0.60 1.79 -1.70 -3.41 116.57 114.41 3med h LYS 104 Ca -0.33 -0.07 -0.27 0.00 -2.18 0.00 0.00 60.65 57.80 3med h LYS 104 Cb 1.17 -0.03 -0.26 0.00 -1.58 0.00 0.00 32.23 31.54 3med h LYS 104 CO 0.48 0.45 -0.73 -1.54 -1.08 0.00 0.00 179.45 177.03 3med s SER 105 N -5.72 0.49 0.00 0.86 1.04 -1.04 -4.88 113.70 104.46 3med s SER 105 Ca -0.14 -0.24 0.01 0.00 0.48 0.00 0.00 55.95 56.06 3med s SER 105 Cb 0.06 -0.00 -0.00 0.00 0.10 0.00 0.00 66.02 66.17 3med s SER 105 CO 0.71 -0.07 -0.03 -0.69 0.98 0.00 0.00 173.24 174.14 3med s VAL 106 N -0.59 0.24 -0.01 5.02 1.01 -1.26 -2.10 120.40 122.71 3med s VAL 106 Ca -0.04 -0.24 0.00 0.00 0.00 0.00 0.00 61.98 61.70 3med s VAL 106 Cb -0.05 -0.23 0.01 0.00 0.00 0.00 0.00 36.38 36.11 3med s VAL 106 CO -0.00 -0.01 -0.00 0.28 0.00 0.00 0.00 175.10 175.37 3med s THR 107 N -0.26 0.06 -0.32 3.92 -1.32 -0.37 -4.94 115.64 112.41 3med s THR 107 Ca -0.01 0.01 -0.12 0.00 -1.21 0.00 0.00 61.69 60.36 3med s THR 107 Cb -0.02 -0.08 -0.02 0.00 -1.51 0.00 0.00 72.50 70.86 3med s THR 107 CO -0.00 0.04 0.21 -0.69 -2.21 0.00 0.00 174.62 171.96 3med s VAL 108 N 0.20 5.13 -0.17 5.08 1.01 -1.26 -1.34 120.40 129.05 3med s VAL 108 Ca -0.02 -0.16 -0.07 0.00 0.00 0.00 0.00 61.98 61.74 3med s VAL 108 Cb -0.03 -3.58 -0.04 0.00 0.00 0.00 0.00 36.38 32.73 3med s VAL 108 CO -0.01 0.08 0.05 -0.76 0.00 0.00 0.00 175.10 174.46 3med s LEU 109 N 1.71 3.77 -0.25 3.92 1.43 0.25 -4.90 118.68 124.61 3med s LEU 109 Ca 0.06 0.08 -0.07 0.00 -1.03 0.00 0.00 54.13 53.18 3med s LEU 109 Cb -0.17 -1.94 -0.02 0.00 0.03 0.00 0.00 46.19 44.09 3med s LEU 109 CO 0.10 0.20 0.06 -0.62 0.23 0.00 0.00 176.35 176.31 3med s ASP 110 N 0.20 5.01 -0.33 2.29 -1.08 -1.26 -0.36 116.67 121.14 3med s ASP 110 Ca 0.04 -0.34 -0.29 0.00 -0.52 0.00 0.00 52.55 51.44 3med s ASP 110 Cb -0.12 -1.89 -0.00 0.00 -1.46 0.00 0.00 42.92 39.45 3med s ASP 110 CO 0.01 -0.07 1.41 -0.69 0.52 0.00 0.00 175.17 176.36 3med s VAL 111 N 1.57 3.95 0.25 1.11 1.01 -0.38 -4.07 120.40 123.85 3med s VAL 111 Ca 0.06 1.04 -0.30 0.00 0.00 0.00 0.00 61.98 62.78 3med s VAL 111 Cb -0.15 -4.07 -0.09 0.00 0.00 0.00 0.00 36.38 32.06 3med s VAL 111 CO 0.02 -0.54 1.13 -0.83 0.00 0.00 0.00 175.10 174.89 3med s GLY 112 N 3.58 2.96 -1.62 4.51 0.00 -0.89 -3.53 107.32 112.33 3med s GLY 112 Ca 0.62 0.92 -0.15 0.00 0.00 0.00 0.00 44.72 46.11 3med s GLY 112 CO 0.28 1.62 0.80 1.22 0.00 0.00 0.00 173.10 177.01 3med n ASP 113 N 1.58 -3.33 -0.38 1.64 9.92 -1.26 -4.61 116.55 120.12 3med n ASP 113 Ca 0.01 -0.95 -0.11 0.00 -0.53 0.00 0.00 54.79 53.21 3med n ASP 113 Cb 0.45 -3.11 -0.09 0.00 -0.64 0.00 0.00 41.12 37.72 3med n ASP 113 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3med h ALA 114 N 0.92 -0.55 -0.48 2.24 0.00 -1.95 -1.39 119.26 118.05 3med h ALA 114 Ca -0.59 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 3med h ALA 114 Cb 1.38 1.33 -0.02 0.00 0.00 0.00 0.00 17.79 20.48 3med h ALA 114 CO 0.73 -0.97 0.25 1.88 0.00 0.00 0.00 179.25 181.15 3med h TYR 115 N -0.06 0.66 0.00 0.00 0.05 -1.89 -2.43 116.97 113.31 3med h TYR 115 Ca 0.16 -0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.92 3med h TYR 115 Cb 0.44 -0.21 0.00 0.00 1.01 0.00 0.00 36.73 37.97 3med h TYR 115 CO -0.98 0.50 0.00 1.19 -1.05 0.00 0.00 178.16 177.82 3med n PHE 116 N -4.66 0.00 1.12 4.88 0.99 -0.59 -1.96 117.46 117.23 3med n PHE 116 Ca 0.02 0.00 0.12 0.00 -0.00 0.00 0.00 57.45 57.59 3med n PHE 116 Cb 0.09 -0.08 0.17 0.00 -1.00 0.00 0.00 39.48 38.66 3med n PHE 116 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.76 177.19 3med n SER 117 N -1.08 2.15 -4.34 4.37 7.64 -0.78 -4.71 113.62 116.87 3med n SER 117 Ca 0.15 -1.60 -0.34 0.00 1.01 0.00 0.00 58.87 58.09 3med n SER 117 Cb 0.10 0.18 -0.14 0.00 -1.01 0.00 0.00 64.21 63.34 3med n SER 117 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3med s VAL 118 N -2.23 3.20 0.69 0.44 1.01 -0.83 0.54 120.40 123.22 3med s VAL 118 Ca 0.26 -0.58 -0.16 0.00 0.00 0.00 0.00 61.98 61.50 3med s VAL 118 Cb 0.19 -2.40 0.02 0.00 0.00 0.00 0.00 36.38 34.20 3med s VAL 118 CO 0.43 0.48 1.20 -2.16 0.00 0.00 0.00 175.10 175.05 3med s PRO 119 N 0.86 2.40 0.10 2.72 0.04 -1.26 -1.57 135.00 138.29 3med s PRO 119 Ca -0.03 1.75 0.06 0.00 0.04 0.00 0.00 61.00 62.83 3med s PRO 119 Cb -0.15 -1.87 -0.04 0.00 0.04 0.00 0.00 34.50 32.49 3med s PRO 119 CO 0.01 -1.63 -0.08 -1.17 0.04 0.00 0.00 177.00 174.17 3med s LEU 120 N -4.85 3.13 0.08 -3.56 1.98 0.11 -4.55 118.68 111.02 3med s LEU 120 Ca 0.75 -0.33 -0.32 0.00 -2.89 0.00 0.00 54.13 51.34 3med s LEU 120 Cb -0.29 -1.90 -0.11 0.00 0.66 0.00 0.00 46.19 44.55 3med s LEU 120 CO 0.42 0.18 1.84 -0.67 -1.89 0.00 0.00 176.35 176.23 3med n ASP 121 N 0.72 3.89 -0.31 3.68 4.64 -1.26 -4.80 116.55 123.11 3med n ASP 121 Ca -0.13 0.98 0.11 0.00 -1.38 0.00 0.00 54.79 54.37 3med n ASP 121 Cb 0.52 -1.51 0.28 0.00 -1.04 0.00 0.00 41.12 39.37 3med n ASP 121 CO 0.00 0.00 0.00 -0.08 -0.82 0.00 0.00 177.20 176.30 3med h GLU 122 N 8.68 0.52 0.00 -0.67 4.57 -1.95 0.23 114.58 125.97 3med h GLU 122 Ca -0.47 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 57.68 3med h GLU 122 Cb 1.23 -0.12 0.00 0.00 -0.16 0.00 0.00 28.75 29.71 3med h GLU 122 CO 0.94 0.34 0.00 -0.44 -1.18 0.00 0.00 179.01 178.68 3med h ASP 123 N 0.54 0.00 0.21 1.04 3.32 -1.95 -3.03 116.42 116.54 3med h ASP 123 Ca 0.52 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.57 3med h ASP 123 Cb 0.88 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.43 3med h ASP 123 CO -0.44 0.00 -0.87 0.33 -1.72 0.00 0.00 179.24 176.54 3med n PHE 124 N -3.03 0.03 -0.38 4.55 7.35 0.78 -4.44 117.46 122.34 3med n PHE 124 Ca 0.01 0.01 -0.01 0.00 -0.76 0.00 0.00 57.45 56.70 3med n PHE 124 Cb 0.34 -0.15 0.12 0.00 0.35 0.00 0.00 39.48 40.14 3med n PHE 124 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3med h ARG 125 N 0.00 1.29 -0.81 -4.13 3.08 -1.32 -2.35 114.38 110.14 3med h ARG 125 Ca 0.00 -0.08 0.16 0.00 0.07 0.00 0.00 59.98 60.13 3med h ARG 125 Cb 0.54 -0.29 -0.06 0.00 0.08 0.00 0.00 29.97 30.24 3med h ARG 125 CO 0.00 0.86 0.53 1.57 -1.07 0.00 0.00 179.97 181.86 3med h LYS 126 N 1.33 0.46 0.00 0.04 2.10 -1.79 0.21 116.57 118.92 3med h LYS 126 Ca 0.38 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 59.00 3med h LYS 126 Cb -0.11 -0.10 0.00 0.00 -0.90 0.00 0.00 32.23 31.12 3med h LYS 126 CO -0.09 0.31 0.00 0.66 -2.00 0.00 0.00 179.45 178.32 3med n TYR 127 N -4.50 0.00 0.14 0.07 4.01 -0.88 -1.90 117.16 114.09 3med n TYR 127 Ca 0.16 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 57.98 3med n TYR 127 Cb 0.54 -0.05 0.16 0.00 -0.31 0.00 0.00 39.34 39.69 3med n TYR 127 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 3med n THR 128 N -1.05 0.58 -1.65 -0.72 -2.24 0.72 -4.70 114.28 105.23 3med n THR 128 Ca 0.12 -0.79 -0.50 0.00 -2.27 0.00 0.00 64.05 60.61 3med n THR 128 Cb 0.07 0.85 -0.05 0.00 -2.10 0.00 0.00 70.33 69.10 3med n THR 128 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3med n ALA 129 N 0.97 0.25 -2.37 6.98 0.00 -0.80 -4.30 120.51 121.25 3med n ALA 129 Ca 0.14 0.44 -0.19 0.00 0.00 0.00 0.00 53.44 53.83 3med n ALA 129 Cb 0.47 -2.26 -0.10 0.00 0.00 0.00 0.00 19.45 17.56 3med n ALA 129 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 3med s PHE 130 N 1.54 1.74 -0.09 0.00 -0.71 0.11 -1.21 117.98 119.37 3med s PHE 130 Ca 0.85 -0.70 0.04 0.00 -1.04 0.00 0.00 56.93 56.07 3med s PHE 130 Cb -0.83 -0.93 0.00 0.00 -1.21 0.00 0.00 43.02 40.06 3med s PHE 130 CO 0.47 0.23 -0.20 0.95 -1.34 0.00 0.00 175.22 175.32 3med s THR 131 N -3.10 1.75 -0.28 -4.49 -4.23 -1.26 -0.97 115.64 103.06 3med s THR 131 Ca 0.26 -0.84 -0.27 0.00 -1.18 0.00 0.00 61.69 59.66 3med s THR 131 Cb 0.02 -1.53 0.01 0.00 1.34 0.00 0.00 72.50 72.34 3med s THR 131 CO 0.09 0.49 0.95 -0.63 -0.54 0.00 0.00 174.62 174.98 3med s ILE 132 N 0.41 4.68 0.33 2.99 1.01 0.28 -4.68 121.20 126.22 3med s ILE 132 Ca -0.17 1.65 -0.29 0.00 0.00 0.00 0.00 60.65 61.84 3med s ILE 132 Cb -0.17 -4.27 -0.10 0.00 0.01 0.00 0.00 42.46 37.93 3med s ILE 132 CO 0.07 -0.27 1.28 -2.16 0.00 0.00 0.00 174.94 173.85 3med s PRO 133 N 3.22 4.36 0.72 2.79 0.04 -1.26 -1.07 135.00 143.80 3med s PRO 133 Ca 0.40 2.16 -0.11 0.00 0.04 0.00 0.00 61.00 63.49 3med s PRO 133 Cb -0.14 -3.06 0.02 0.00 0.04 0.00 0.00 34.50 31.37 3med s PRO 133 CO 0.11 -0.16 1.08 -1.54 0.04 0.00 0.00 177.00 176.53 3med s SER 134 N -0.56 5.28 0.13 6.66 1.04 -1.26 -4.89 113.70 120.10 3med s SER 134 Ca 0.49 1.29 -0.35 0.00 0.48 0.00 0.00 55.95 57.86 3med s SER 134 Cb -0.39 -2.12 -0.15 0.00 0.10 0.00 0.00 66.02 63.47 3med s SER 134 CO 0.51 -1.46 1.51 -0.38 0.98 0.00 0.00 173.24 174.39 3med n ILE 135 N -3.11 0.01 -1.80 -1.02 5.41 -1.26 -0.37 119.36 117.22 3med n ILE 135 Ca 0.07 -0.00 -0.08 0.00 1.00 0.00 0.00 62.75 63.73 3med n ILE 135 Cb 0.56 -1.31 -0.02 0.00 -0.71 0.00 0.00 39.64 38.16 3med n ILE 135 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 3med n ASN 136 N 3.20 -2.52 -1.10 4.38 3.02 -1.26 -1.79 115.26 119.19 3med n ASN 136 Ca 0.18 0.25 -0.13 0.00 -0.03 0.00 0.00 54.58 54.85 3med n ASN 136 Cb 0.25 -2.37 -0.05 0.00 -0.61 0.00 0.00 39.78 37.00 3med n ASN 136 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3med n ASN 137 N -0.75 -4.63 -0.02 6.41 4.13 0.50 -4.83 115.26 116.08 3med n ASN 137 Ca -0.09 0.31 -0.11 0.00 1.68 0.00 0.00 54.58 56.37 3med n ASN 137 Cb 0.41 -3.78 -0.05 0.00 -1.54 0.00 0.00 39.78 34.83 3med n ASN 137 CO 0.00 0.00 0.00 -0.33 0.28 0.00 0.00 177.26 177.21 3med h GLU 138 N 0.00 0.18 -6.14 3.52 4.39 -1.55 -3.45 114.58 111.53 3med h GLU 138 Ca -0.26 -0.01 -0.55 0.00 0.34 0.00 0.00 59.36 58.88 3med h GLU 138 Cb 1.04 -0.04 -0.09 0.00 -0.10 0.00 0.00 28.75 29.56 3med h GLU 138 CO 0.38 0.13 -0.60 -0.08 -1.16 0.00 0.00 179.01 177.68 3med s THR 139 N -6.14 3.23 0.63 1.13 -1.32 -1.26 -5.10 115.64 106.81 3med s THR 139 Ca -0.13 -1.83 -0.19 0.00 -1.21 0.00 0.00 61.69 58.33 3med s THR 139 Cb 0.08 -2.90 -0.02 0.00 -1.51 0.00 0.00 72.50 68.15 3med s THR 139 CO 0.68 -0.29 1.28 -2.84 -2.21 0.00 0.00 174.62 171.25 3med s PRO 140 N -3.74 2.69 0.82 7.08 0.02 -1.26 -4.22 135.00 136.39 3med s PRO 140 Ca 0.34 2.03 -0.07 0.00 0.02 0.00 0.00 61.00 63.32 3med s PRO 140 Cb -0.04 -1.90 0.16 0.00 0.02 0.00 0.00 34.50 32.73 3med s PRO 140 CO 0.21 -1.48 1.13 0.20 -0.33 0.00 0.00 177.00 176.73 3med s GLY 141 N -1.39 1.77 -0.15 0.52 0.00 -1.26 -4.66 107.32 102.14 3med s GLY 141 Ca 0.81 -1.49 -0.21 0.00 0.00 0.00 0.00 44.72 43.83 3med s GLY 141 CO 0.39 -0.85 0.61 -0.42 0.00 0.00 0.00 173.10 172.83 3med s ILE 142 N -3.45 5.07 -0.12 0.90 -1.09 -0.23 -4.85 121.20 117.42 3med s ILE 142 Ca 0.69 1.19 -0.01 0.00 -2.23 0.00 0.00 60.65 60.30 3med s ILE 142 Cb -0.05 -3.94 -0.02 0.00 -1.58 0.00 0.00 42.46 36.88 3med s ILE 142 CO 0.48 0.20 -0.11 -0.13 -1.23 0.00 0.00 174.94 174.15 3med s ARG 143 N 1.31 3.33 0.16 2.79 0.52 -1.26 0.99 118.95 126.80 3med s ARG 143 Ca 0.30 -0.64 0.05 0.00 -0.52 0.00 0.00 55.73 54.93 3med s ARG 143 Cb -0.16 -2.67 -0.04 0.00 0.52 0.00 0.00 34.95 32.59 3med s ARG 143 CO 0.12 0.29 -0.11 0.71 0.02 0.00 0.00 175.30 176.33 3med s TYR 144 N 0.18 1.38 0.10 -0.53 2.02 -0.14 -1.24 117.35 119.11 3med s TYR 144 Ca -0.06 -0.70 0.04 0.00 -0.37 0.00 0.00 57.07 55.98 3med s TYR 144 Cb -0.15 -0.68 -0.04 0.00 -0.40 0.00 0.00 41.96 40.70 3med s TYR 144 CO 0.04 0.15 -0.11 1.14 -1.57 0.00 0.00 175.55 175.20 3med s GLN 145 N -3.68 0.88 0.41 -0.62 -2.07 -0.97 -0.71 119.66 112.90 3med s GLN 145 Ca 0.18 -1.14 -0.23 0.00 -1.82 0.00 0.00 55.36 52.35 3med s GLN 145 Cb 0.01 -0.66 -0.10 0.00 -1.09 0.00 0.00 33.01 31.18 3med s GLN 145 CO 0.02 0.12 1.00 0.71 -1.32 0.00 0.00 175.29 175.82 3med s TYR 146 N -2.19 3.29 -0.25 9.60 2.02 -1.26 -1.80 117.35 126.76 3med s TYR 146 Ca 0.05 1.64 0.06 0.00 -0.37 0.00 0.00 57.07 58.45 3med s TYR 146 Cb -0.04 -3.00 -0.07 0.00 -0.40 0.00 0.00 41.96 38.45 3med s TYR 146 CO 0.01 -0.38 0.23 0.09 -1.57 0.00 0.00 175.55 173.93 3med n ASN 147 N -0.33 0.57 -4.21 2.29 3.02 0.15 -4.69 115.26 112.05 3med n ASN 147 Ca 0.06 -0.58 -0.25 0.00 -0.03 0.00 0.00 54.58 53.78 3med n ASN 147 Cb 0.52 1.02 -0.08 0.00 -0.61 0.00 0.00 39.78 40.62 3med n ASN 147 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 3med s VAL 148 N -1.62 0.72 -0.15 2.41 -7.23 -1.20 0.08 120.40 113.41 3med s VAL 148 Ca 0.02 -2.00 -0.29 0.00 -1.81 0.00 0.00 61.98 57.90 3med s VAL 148 Cb 0.04 -2.41 -0.05 0.00 0.56 0.00 0.00 36.38 34.53 3med s VAL 148 CO 0.24 0.00 1.81 -0.76 -0.31 0.00 0.00 175.10 176.08 3med s LEU 149 N -3.60 3.97 0.32 1.32 1.43 -0.61 -4.56 118.68 116.95 3med s LEU 149 Ca 0.25 1.96 -0.27 0.00 -1.03 0.00 0.00 54.13 55.04 3med s LEU 149 Cb 0.03 -3.53 -0.09 0.00 0.03 0.00 0.00 46.19 42.63 3med s LEU 149 CO 0.14 -1.31 1.04 -2.16 0.23 0.00 0.00 176.35 174.29 3med s PRO 150 N 4.88 4.50 0.11 1.29 0.04 -1.26 -4.04 135.00 140.52 3med s PRO 150 Ca 0.81 1.61 -0.32 0.00 0.04 0.00 0.00 61.00 63.14 3med s PRO 150 Cb -0.31 -2.94 -0.11 0.00 0.04 0.00 0.00 34.50 31.17 3med s PRO 150 CO 0.33 0.14 1.81 1.04 0.04 0.00 0.00 177.00 180.36 3med n GLN 151 N 0.74 2.63 0.00 4.56 1.13 -1.26 -2.71 117.38 122.47 3med n GLN 151 Ca 0.01 0.96 0.00 0.00 -1.94 0.00 0.00 57.00 56.03 3med n GLN 151 Cb 0.47 -2.83 0.00 0.00 0.11 0.00 0.00 30.24 27.99 3med n GLN 151 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3med n GLY 152 N 4.13 1.50 3.81 1.08 0.00 -1.26 -4.79 105.19 109.66 3med n GLY 152 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 3med n GLY 152 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3med s TRP 153 N -2.36 3.09 0.23 1.61 -0.00 -1.10 -4.74 118.94 115.67 3med s TRP 153 Ca 0.00 1.48 0.03 0.00 -0.00 0.00 0.00 56.10 57.61 3med s TRP 153 Cb 0.00 -2.94 0.23 0.00 -0.00 0.00 0.00 33.47 30.76 3med s TRP 153 CO 0.00 -1.05 1.56 -0.22 -0.00 0.00 0.00 176.95 177.23 3med h LYS 154 N 0.17 0.31 -0.01 5.86 3.64 -1.93 -3.19 116.57 121.41 3med h LYS 154 Ca -0.46 -0.20 0.00 0.00 -1.27 0.00 0.00 60.65 58.72 3med h LYS 154 Cb 1.21 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.06 3med h LYS 154 CO 0.58 0.80 -0.32 0.41 -2.27 0.00 0.00 179.45 178.65 3med n GLY 155 N 0.23 -0.39 0.13 5.01 0.00 -1.26 -4.42 105.19 104.49 3med n GLY 155 Ca -0.02 -0.48 -0.12 0.00 0.00 0.00 0.00 46.02 45.40 3med n GLY 155 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3med h SER 156 N 1.64 0.32 -0.67 1.61 0.02 -1.85 -0.78 113.55 113.83 3med h SER 156 Ca 0.00 -0.32 0.01 0.00 -0.84 0.00 0.00 61.79 60.64 3med h SER 156 Cb 0.59 -0.08 -0.04 0.00 0.14 0.00 0.00 62.40 63.00 3med h SER 156 CO 0.00 0.56 0.43 -0.65 -1.14 0.00 0.00 176.83 176.03 3med h PRO 157 N 0.06 0.85 -0.21 3.45 0.11 -1.80 -0.45 132.00 134.02 3med h PRO 157 Ca 0.05 -0.05 -0.16 0.00 0.11 0.00 0.00 66.00 65.95 3med h PRO 157 Cb 0.40 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.31 3med h PRO 157 CO 0.01 0.56 -0.54 0.00 -0.21 0.00 0.00 178.00 177.83 3med h ALA 158 N 1.26 0.68 0.01 -0.75 0.00 -1.80 -2.80 119.26 115.85 3med h ALA 158 Ca 0.25 -0.51 -0.20 0.00 0.00 0.00 0.00 54.91 54.46 3med h ALA 158 Cb -0.07 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3med h ALA 158 CO -0.07 0.69 -0.94 0.82 0.00 0.00 0.00 179.25 179.75 3med h ILE 159 N 0.47 1.63 -0.43 0.00 2.04 -0.97 -2.79 117.51 117.45 3med h ILE 159 Ca 0.01 -3.07 -0.10 0.00 1.00 0.00 0.00 64.86 62.71 3med h ILE 159 Cb 1.09 2.68 -0.01 0.00 -0.74 0.00 0.00 36.82 39.84 3med h ILE 159 CO 0.10 0.88 -0.12 0.15 0.00 0.00 0.00 178.15 179.17 3med h PHE 160 N 0.02 0.94 -0.45 1.37 3.57 -1.08 -1.54 116.94 119.76 3med h PHE 160 Ca -0.02 -0.21 -0.13 0.00 3.53 0.00 0.00 57.97 61.14 3med h PHE 160 Cb 1.63 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 40.13 3med h PHE 160 CO 0.01 0.95 -0.24 1.96 -2.23 0.00 0.00 178.31 178.76 3med h GLN 161 N 0.66 0.96 -0.42 1.11 1.08 -1.51 -0.06 115.11 116.93 3med h GLN 161 Ca 0.11 -0.43 -0.08 0.00 -1.45 0.00 0.00 58.65 56.80 3med h GLN 161 Cb 0.65 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 28.05 3med h GLN 161 CO 0.04 1.09 -0.05 1.03 -0.95 0.00 0.00 178.83 180.00 3med h SER 162 N 0.80 0.76 -0.28 1.46 0.87 -1.52 -0.09 113.55 115.56 3med h SER 162 Ca 0.10 -0.34 0.02 0.00 -1.23 0.00 0.00 61.79 60.34 3med h SER 162 Cb 0.82 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 62.55 3med h SER 162 CO 0.07 0.92 0.13 0.28 -0.53 0.00 0.00 176.83 177.69 3med h SER 163 N 0.59 0.17 0.28 6.23 0.02 -1.07 -1.15 113.55 118.62 3med h SER 163 Ca 0.11 0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 61.05 3med h SER 163 Cb 0.56 -0.01 -0.00 0.00 0.14 0.00 0.00 62.40 63.08 3med h SER 163 CO 0.03 0.14 -0.16 -0.03 -1.14 0.00 0.00 176.83 175.67 3med h MET 164 N 0.27 0.00 0.07 3.45 -1.53 -0.75 -2.53 114.93 113.91 3med h MET 164 Ca 0.12 0.00 -0.24 0.00 -3.44 0.00 0.00 59.70 56.13 3med h MET 164 Cb 0.05 0.00 -0.01 0.00 -0.55 0.00 0.00 31.60 31.09 3med h MET 164 CO -0.09 0.16 -1.13 1.15 0.14 0.00 0.00 176.91 177.14 3med h THR 165 N 0.00 1.59 -0.21 -0.77 2.02 -0.06 -0.73 112.91 114.75 3med h THR 165 Ca -0.00 -3.20 -0.02 0.00 0.77 0.00 0.00 66.41 63.96 3med h THR 165 Cb 0.34 2.89 -0.01 0.00 -1.74 0.00 0.00 68.15 69.63 3med h THR 165 CO 0.02 0.92 0.04 0.11 0.37 0.00 0.00 175.52 176.99 3med h LYS 166 N 0.05 0.35 -0.57 6.66 1.57 -1.01 -2.79 116.57 120.83 3med h LYS 166 Ca -0.08 -0.09 -0.07 0.00 -1.87 0.00 0.00 60.65 58.54 3med h LYS 166 Cb 1.87 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 34.11 3med h LYS 166 CO 0.17 0.49 0.08 0.82 -0.57 0.00 0.00 179.45 180.44 3med h ILE 167 N 0.15 1.25 0.00 1.86 2.04 -1.49 -2.56 117.51 118.76 3med h ILE 167 Ca 0.06 -0.95 -0.03 0.00 1.00 0.00 0.00 64.86 64.94 3med h ILE 167 Cb 0.30 0.72 -0.00 0.00 -0.74 0.00 0.00 36.82 37.10 3med h ILE 167 CO 0.00 0.35 -0.13 -0.07 0.00 0.00 0.00 178.15 178.30 3med h LEU 168 N 0.86 0.00 -0.02 1.44 4.07 -1.11 -3.37 115.31 117.18 3med h LEU 168 Ca 0.18 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 58.14 3med h LEU 168 Cb 0.39 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.13 3med h LEU 168 CO 0.01 0.13 0.01 -0.08 -1.08 0.00 0.00 178.44 177.43 3med h GLU 169 N 0.00 0.02 -0.17 1.13 4.57 -1.17 -1.44 114.58 117.53 3med h GLU 169 Ca -0.00 -0.00 0.02 0.00 -1.18 0.00 0.00 59.36 58.19 3med h GLU 169 Cb 0.57 -0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.13 3med h GLU 169 CO 0.02 0.10 0.06 -1.35 -1.18 0.00 0.00 179.01 176.65 3med h PRO 170 N -0.05 0.14 -0.71 0.92 0.11 -1.76 0.12 132.00 130.76 3med h PRO 170 Ca 0.01 -0.01 0.05 0.00 0.11 0.00 0.00 66.00 66.15 3med h PRO 170 Cb 0.08 -0.03 -0.05 0.00 0.11 0.00 0.00 31.00 31.11 3med h PRO 170 CO -0.00 0.09 0.43 0.35 -0.21 0.00 0.00 178.00 178.66 3med h PHE 171 N 0.14 0.79 -0.48 0.65 3.04 -1.71 -0.68 116.94 118.69 3med h PHE 171 Ca 0.07 0.02 0.02 0.00 3.98 0.00 0.00 57.97 62.07 3med h PHE 171 Cb 0.04 -0.25 -0.03 0.00 2.56 0.00 0.00 35.95 38.26 3med h PHE 171 CO -0.11 0.42 0.28 0.00 -2.02 0.00 0.00 178.31 176.88 3med h ARG 172 N 0.81 0.55 0.00 1.11 3.08 -0.80 -1.68 114.38 117.45 3med h ARG 172 Ca 0.30 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.32 3med h ARG 172 Cb 0.10 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.03 3med h ARG 172 CO -0.15 0.36 0.00 -0.22 -1.07 0.00 0.00 179.97 178.90 3med h LYS 173 N 0.56 0.00 -0.00 0.04 3.64 0.40 -2.38 116.57 118.83 3med h LYS 173 Ca 0.19 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.57 3med h LYS 173 Cb 0.03 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.85 3med h LYS 173 CO -0.09 0.00 -0.64 1.04 -2.27 0.00 0.00 179.45 177.49 3med n GLN 174 N -2.48 1.81 -3.05 1.90 6.02 -0.41 -4.62 117.38 116.56 3med n GLN 174 Ca 0.02 -0.21 -0.19 0.00 -0.01 0.00 0.00 57.00 56.61 3med n GLN 174 Cb 0.27 -1.25 -0.02 0.00 1.02 0.00 0.00 30.24 30.26 3med n GLN 174 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 3med n ASN 175 N -1.05 1.84 0.28 1.08 4.13 -0.66 -4.95 115.26 115.92 3med n ASN 175 Ca 0.04 -3.15 0.14 0.00 1.68 0.00 0.00 54.58 53.29 3med n ASN 175 Cb 0.27 -0.59 0.83 0.00 -1.54 0.00 0.00 39.78 38.75 3med n ASN 175 CO 0.00 0.00 0.00 -0.65 0.28 0.00 0.00 177.26 176.89 3med h PRO 176 N 2.98 0.00 0.00 3.52 0.11 -1.81 -0.05 132.00 136.76 3med h PRO 176 Ca 0.09 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.20 3med h PRO 176 Cb 0.89 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.00 3med h PRO 176 CO 0.58 0.06 -0.12 -0.25 -0.21 0.00 0.00 178.00 178.07 3med n ASP 177 N -3.69 0.27 -4.68 -2.05 8.00 -1.26 -4.77 116.55 108.37 3med n ASP 177 Ca -0.02 0.37 -0.34 0.00 0.71 0.00 0.00 54.79 55.51 3med n ASP 177 Cb 0.16 -0.39 -0.09 0.00 -0.02 0.00 0.00 41.12 40.78 3med n ASP 177 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 3med s ILE 178 N -3.03 4.22 -0.05 0.53 1.10 -0.03 -4.59 121.20 119.35 3med s ILE 178 Ca 0.12 -0.44 0.06 0.00 -0.51 0.00 0.00 60.65 59.89 3med s ILE 178 Cb 0.17 -2.83 -0.02 0.00 0.15 0.00 0.00 42.46 39.93 3med s ILE 178 CO 0.58 0.48 -0.23 0.54 -2.11 0.00 0.00 174.94 174.20 3med s VAL 179 N -0.99 2.27 -0.04 4.00 0.11 0.12 -4.94 120.40 120.92 3med s VAL 179 Ca 0.17 -1.01 0.02 0.00 -2.93 0.00 0.00 61.98 58.23 3med s VAL 179 Cb -0.11 -1.83 0.01 0.00 -1.53 0.00 0.00 36.38 32.92 3med s VAL 179 CO 0.07 0.57 -0.09 -0.63 -3.33 0.00 0.00 175.10 171.69 3med s ILE 180 N -0.38 0.85 -0.11 7.04 1.01 -1.26 0.58 121.20 128.93 3med s ILE 180 Ca 0.03 -0.35 0.03 0.00 0.00 0.00 0.00 60.65 60.36 3med s ILE 180 Cb -0.12 -0.79 -0.00 0.00 0.01 0.00 0.00 42.46 41.56 3med s ILE 180 CO 0.02 0.28 -0.22 -0.47 0.00 0.00 0.00 174.94 174.54 3med s TYR 181 N 0.52 2.61 -0.14 3.97 5.04 0.46 -4.98 117.35 124.83 3med s TYR 181 Ca -0.09 -1.05 -0.05 0.00 -2.44 0.00 0.00 57.07 53.44 3med s TYR 181 Cb -0.13 -1.74 -0.04 0.00 0.35 0.00 0.00 41.96 40.40 3med s TYR 181 CO 0.02 -0.43 0.03 1.14 -1.34 0.00 0.00 175.55 174.97 3med s GLN 182 N 0.42 3.52 -0.18 4.97 -2.07 -1.26 -1.16 119.66 123.90 3med s GLN 182 Ca -0.16 -0.37 -0.04 0.00 -1.82 0.00 0.00 55.36 52.97 3med s GLN 182 Cb -0.17 -3.01 0.09 0.00 -1.09 0.00 0.00 33.01 28.82 3med s GLN 182 CO 0.07 0.48 0.26 -0.47 -1.32 0.00 0.00 175.29 174.30 3med s TYR 183 N -0.23 -0.41 0.00 9.60 5.04 -1.07 -5.04 117.35 125.24 3med s TYR 183 Ca 0.07 0.60 0.00 0.00 -2.44 0.00 0.00 57.07 55.30 3med s TYR 183 Cb -0.12 -0.18 0.00 0.00 0.35 0.00 0.00 41.96 42.00 3med s TYR 183 CO 0.02 -0.52 0.00 -1.33 -1.34 0.00 0.00 175.55 172.38 3med n MET 184 N 5.34 0.00 0.22 4.97 2.81 -1.26 -1.47 117.12 127.73 3med n MET 184 Ca -0.05 0.00 0.11 0.00 -1.81 0.00 0.00 57.70 55.94 3med n MET 184 Cb 0.50 0.00 0.37 0.00 -0.71 0.00 0.00 33.22 33.38 3med n MET 184 CO 0.00 0.00 0.00 -0.44 1.51 0.00 0.00 175.97 177.04 3med h ASP 185 N 0.00 0.00 -2.69 7.83 3.32 -1.98 -3.47 116.42 119.43 3med h ASP 185 Ca 0.00 0.00 -0.50 0.00 0.02 0.00 0.00 57.03 56.55 3med h ASP 185 Cb 0.00 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 3med h ASP 185 CO 0.00 0.18 -0.31 -1.81 -1.72 0.00 0.00 179.24 175.58 3med s ASP 186 N -6.14 6.34 -0.10 6.45 1.01 -0.54 -1.25 116.67 122.44 3med s ASP 186 Ca 0.03 0.34 0.01 0.00 0.71 0.00 0.00 52.55 53.64 3med s ASP 186 Cb 0.08 -1.98 0.02 0.00 1.01 0.00 0.00 42.92 42.05 3med s ASP 186 CO 0.64 -0.12 -0.12 -0.76 0.21 0.00 0.00 175.17 175.02 3med s LEU 187 N -3.76 1.55 -0.21 1.23 1.43 0.52 -2.60 118.68 116.84 3med s LEU 187 Ca 0.38 -0.35 -0.05 0.00 -1.03 0.00 0.00 54.13 53.08 3med s LEU 187 Cb -0.10 -0.94 -0.02 0.00 0.03 0.00 0.00 46.19 45.16 3med s LEU 187 CO 0.31 -0.02 -0.00 -0.31 0.23 0.00 0.00 176.35 176.56 3med s TYR 188 N 1.11 3.02 -0.10 0.29 1.51 -0.31 -0.58 117.35 122.30 3med s TYR 188 Ca -0.05 -0.54 0.02 0.00 -1.01 0.00 0.00 57.07 55.50 3med s TYR 188 Cb -0.14 -2.09 0.01 0.00 -0.11 0.00 0.00 41.96 39.62 3med s TYR 188 CO -0.02 -0.30 -0.17 0.08 -1.11 0.00 0.00 175.55 174.03 3med s VAL 189 N 1.11 1.55 0.00 0.71 1.01 -0.45 -0.41 120.40 123.92 3med s VAL 189 Ca 0.02 -0.70 0.05 0.00 0.00 0.00 0.00 61.98 61.35 3med s VAL 189 Cb -0.14 -1.39 -0.01 0.00 0.00 0.00 0.00 36.38 34.83 3med s VAL 189 CO 0.01 0.45 -0.15 -0.83 0.00 0.00 0.00 175.10 174.58 3med s GLY 190 N 0.75 0.76 0.05 4.51 0.00 0.20 -1.24 107.32 112.36 3med s GLY 190 Ca -0.11 -0.71 -0.05 0.00 0.00 0.00 0.00 44.72 43.85 3med s GLY 190 CO 0.02 -0.62 0.08 -1.35 0.00 0.00 0.00 173.10 171.23 3med s SER 191 N -0.58 0.25 0.00 1.64 1.04 -0.89 0.12 113.70 115.28 3med s SER 191 Ca 0.05 -0.70 0.14 0.00 0.48 0.00 0.00 55.95 55.92 3med s SER 191 Cb -0.06 0.25 0.41 0.00 0.10 0.00 0.00 66.02 66.72 3med s SER 191 CO 0.00 -0.59 1.34 0.47 0.98 0.00 0.00 173.24 175.44 3med n ASP 192 N 0.36 2.34 -4.81 7.02 10.43 -1.26 -2.25 116.55 128.39 3med n ASP 192 Ca -0.17 -1.98 -0.30 0.00 2.57 0.00 0.00 54.79 54.91 3med n ASP 192 Cb 0.60 -0.28 0.10 0.00 1.84 0.00 0.00 41.12 43.37 3med n ASP 192 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 3med s LEU 193 N -1.04 2.52 0.15 0.64 1.43 -1.26 -4.71 118.68 116.42 3med s LEU 193 Ca 0.30 1.25 -0.09 0.00 -1.03 0.00 0.00 54.13 54.55 3med s LEU 193 Cb 0.16 -3.82 -0.06 0.00 0.03 0.00 0.00 46.19 42.49 3med s LEU 193 CO 0.21 -2.03 0.47 -1.83 0.23 0.00 0.00 176.35 173.39 3med s GLU 194 N -5.18 3.78 0.57 1.70 1.03 -1.26 -4.32 118.70 115.02 3med s GLU 194 Ca 0.61 0.21 0.39 0.00 0.03 0.00 0.00 54.97 56.21 3med s GLU 194 Cb -0.14 -2.85 1.49 0.00 -0.80 0.00 0.00 34.13 31.83 3med s GLU 194 CO 0.54 0.45 1.63 0.97 -1.33 0.00 0.00 175.26 177.52 3med h ILE 195 N 2.42 0.17 -0.02 1.83 6.09 -1.96 0.47 117.51 126.51 3med h ILE 195 Ca -0.48 0.00 -0.04 0.00 -1.37 0.00 0.00 64.86 62.97 3med h ILE 195 Cb 1.18 0.20 0.00 0.00 0.47 0.00 0.00 36.82 38.67 3med h ILE 195 CO 0.68 0.00 -0.16 1.23 -3.07 0.00 0.00 178.15 176.84 3med h GLY 196 N 0.00 0.16 2.00 8.18 0.00 -2.00 -2.99 103.07 108.41 3med h GLY 196 Ca 0.65 -0.23 -0.03 0.00 0.00 0.00 0.00 47.33 47.72 3med h GLY 196 CO -0.01 0.21 -0.13 -1.61 0.00 0.00 0.00 176.54 175.00 3med h GLN 197 N -0.49 0.00 -0.01 4.80 4.15 -0.44 -3.07 115.11 120.05 3med h GLN 197 Ca -0.01 0.00 -0.09 0.00 0.77 0.00 0.00 58.65 59.32 3med h GLN 197 Cb 0.85 0.00 0.01 0.00 0.21 0.00 0.00 27.48 28.55 3med h GLN 197 CO 0.03 0.13 -0.33 1.25 -1.93 0.00 0.00 178.83 177.98 3med h HIS 198 N 0.00 0.37 0.00 3.99 2.76 -1.53 -2.45 115.15 118.29 3med h HIS 198 Ca -0.00 -0.19 -0.02 0.00 -2.20 0.00 0.00 60.37 57.97 3med h HIS 198 Cb 1.06 -0.05 -0.00 0.00 1.55 0.00 0.00 27.41 29.97 3med h HIS 198 CO 0.00 0.98 -0.07 0.00 -1.30 0.00 0.00 177.93 177.53 3med h ARG 199 N -0.35 0.00 0.07 5.26 3.08 -1.52 0.22 114.38 121.15 3med h ARG 199 Ca -0.04 0.00 -0.25 0.00 0.07 0.00 0.00 59.98 59.77 3med h ARG 199 Cb 1.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.11 3med h ARG 199 CO 0.07 0.07 -1.09 1.15 -1.07 0.00 0.00 179.97 179.10 3med h THR 200 N 0.00 1.48 -0.01 2.04 2.02 -1.53 -2.64 112.91 114.26 3med h THR 200 Ca -0.00 -2.83 -0.11 0.00 0.77 0.00 0.00 66.41 64.23 3med h THR 200 Cb 0.25 2.72 -0.02 0.00 -1.74 0.00 0.00 68.15 69.36 3med h THR 200 CO 0.01 0.83 -0.52 0.11 0.37 0.00 0.00 175.52 176.32 3med h LYS 201 N 0.12 0.02 0.18 6.66 1.79 -0.21 -2.77 116.57 122.36 3med h LYS 201 Ca -0.10 -0.01 -0.01 0.00 -2.18 0.00 0.00 60.65 58.35 3med h LYS 201 Cb 1.78 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.43 3med h LYS 201 CO 0.18 0.54 -0.08 0.82 -1.08 0.00 0.00 179.45 179.83 3med h ILE 202 N 0.02 0.88 -0.65 1.86 1.08 -0.68 -2.61 117.51 117.41 3med h ILE 202 Ca -0.00 -0.25 0.05 0.00 -0.39 0.00 0.00 64.86 64.26 3med h ILE 202 Cb 0.93 1.04 -0.04 0.00 -3.07 0.00 0.00 36.82 35.68 3med h ILE 202 CO 0.07 0.06 0.43 -0.33 -0.69 0.00 0.00 178.15 177.69 3med h GLU 203 N -0.36 0.71 -0.64 2.37 4.39 -1.35 0.46 114.58 120.15 3med h GLU 203 Ca -0.02 -0.04 -0.08 0.00 0.34 0.00 0.00 59.36 59.56 3med h GLU 203 Cb 0.28 -0.16 -0.03 0.00 -0.10 0.00 0.00 28.75 28.74 3med h GLU 203 CO 0.04 0.47 0.10 0.93 -1.16 0.00 0.00 179.01 179.39 3med h GLU 204 N 0.73 1.07 0.02 2.33 5.08 -1.44 0.04 114.58 122.40 3med h GLU 204 Ca 0.27 -0.29 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3med h GLU 204 Cb 0.16 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.28 3med h GLU 204 CO -0.08 0.99 -0.01 1.25 -1.00 0.00 0.00 179.01 180.16 3med h LEU 205 N 0.98 -0.02 -0.56 1.33 5.85 -0.53 0.18 115.31 122.54 3med h LEU 205 Ca 0.20 -0.27 0.07 0.00 0.84 0.00 0.00 57.88 58.71 3med h LEU 205 Cb 0.44 0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.42 3med h LEU 205 CO 0.01 0.26 0.25 0.03 -0.34 0.00 0.00 178.44 178.65 3med h ARG 206 N -0.30 0.46 0.00 1.25 3.08 -0.07 0.30 114.38 119.09 3med h ARG 206 Ca -0.00 -0.03 -0.06 0.00 0.07 0.00 0.00 59.98 59.96 3med h ARG 206 Cb 0.29 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 3med h ARG 206 CO 0.00 0.30 -0.27 1.96 -1.07 0.00 0.00 179.97 180.89 3med h GLN 207 N 0.47 0.00 -0.34 0.04 1.08 -0.92 0.58 115.11 116.01 3med h GLN 207 Ca 0.26 0.00 -0.15 0.00 -1.45 0.00 0.00 58.65 57.32 3med h GLN 207 Cb 0.24 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.67 3med h GLN 207 CO -0.22 0.27 -0.36 1.25 -0.95 0.00 0.00 178.83 178.81 3med h HIS 208 N 0.00 1.03 -0.65 2.96 2.76 0.54 -2.35 115.15 119.43 3med h HIS 208 Ca -0.00 -0.31 -0.07 0.00 -2.20 0.00 0.00 60.37 57.79 3med h HIS 208 Cb 0.86 -0.21 -0.03 0.00 1.55 0.00 0.00 27.41 29.58 3med h HIS 208 CO 0.00 1.12 0.15 -0.07 -1.30 0.00 0.00 177.93 177.83 3med h LEU 209 N 0.64 1.00 -0.79 0.26 4.07 0.39 -2.75 115.31 118.13 3med h LEU 209 Ca 0.05 -0.24 -0.13 0.00 0.08 0.00 0.00 57.88 57.65 3med h LEU 209 Cb 0.95 -0.26 -0.01 0.00 1.08 0.00 0.00 40.66 42.42 3med h LEU 209 CO 0.09 0.98 -0.50 0.25 -1.08 0.00 0.00 178.44 178.18 3med h LEU 210 N 0.97 0.29 -2.91 1.67 5.85 -0.77 0.53 115.31 120.94 3med h LEU 210 Ca 0.20 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.78 3med h LEU 210 Cb 0.37 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.32 3med h LEU 210 CO 0.00 0.74 0.02 -0.09 -0.34 0.00 0.00 178.44 178.78 3med h ARG 211 N 0.21 0.00 -0.20 1.25 2.43 -1.12 -2.28 114.38 114.67 3med h ARG 211 Ca 0.01 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 3med h ARG 211 Cb 0.96 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.51 3med h ARG 211 CO 0.08 0.00 0.00 0.91 -1.51 0.00 0.00 179.97 179.45 3med n TRP 212 N -3.06 0.57 0.00 2.20 7.02 0.08 -4.87 117.44 119.39 3med n TRP 212 Ca -0.03 -0.79 0.00 0.00 -1.02 0.00 0.00 57.50 55.67 3med n TRP 212 Cb 0.09 -0.20 0.00 0.00 -2.42 0.00 0.00 31.31 28.78 3med n TRP 212 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3med n GLY 213 N -0.47 1.59 3.55 6.99 0.00 -0.86 -4.11 105.19 111.88 3med n GLY 213 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 3med n GLY 213 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3med s LEU 214 N 0.00 4.41 0.24 0.99 1.43 -0.64 -1.65 118.68 123.47 3med s LEU 214 Ca 0.00 -0.29 -0.04 0.00 -1.03 0.00 0.00 54.13 52.77 3med s LEU 214 Cb 0.00 -2.19 -0.05 0.00 0.03 0.00 0.00 46.19 43.97 3med s LEU 214 CO 0.00 -0.23 0.49 0.42 0.23 0.00 0.00 176.35 177.26 3med s THR 215 N 1.81 5.08 -0.10 5.49 -4.23 -1.26 -2.86 115.64 119.58 3med s THR 215 Ca 0.08 -0.03 -0.06 0.00 -1.18 0.00 0.00 61.69 60.50 3med s THR 215 Cb -0.17 -3.71 0.04 0.00 1.34 0.00 0.00 72.50 70.00 3med s THR 215 CO 0.11 -0.22 0.24 0.42 -0.54 0.00 0.00 174.62 174.63 3med s THR 216 N -1.96 -0.03 1.04 3.99 -4.23 -1.26 -2.09 115.64 111.10 3med s THR 216 Ca 0.42 0.12 -0.16 0.00 -1.18 0.00 0.00 61.69 60.89 3med s THR 216 Cb -0.11 -0.37 0.07 0.00 1.34 0.00 0.00 72.50 73.43 3med s THR 216 CO 0.28 0.05 0.15 -2.65 -0.54 0.00 0.00 174.62 171.91 3med n PRO 217 N 3.97 -0.98 -1.43 3.99 -0.02 -1.26 -5.00 135.00 134.27 3med n PRO 217 Ca -0.23 -0.26 0.00 0.00 -2.02 0.00 0.00 63.50 61.00 3med n PRO 217 Cb 0.54 -1.75 0.00 0.00 -0.02 0.00 0.00 33.50 32.27 3med n PRO 217 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3med n ASP 218 N -1.37 1.03 0.00 2.55 5.68 -1.26 -4.83 116.55 118.35 3med n ASP 218 Ca 0.03 -0.95 0.13 0.00 -0.50 0.00 0.00 54.79 53.50 3med n ASP 218 Cb 0.58 0.00 0.72 0.00 -1.14 0.00 0.00 41.12 41.28 3med n ASP 218 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 3med n LYS 219 N -0.46 0.66 0.06 0.11 5.02 -1.26 -3.18 118.16 119.10 3med n LYS 219 Ca 0.00 0.02 -0.19 0.00 -2.02 0.00 0.00 58.31 56.12 3med n LYS 219 Cb 0.00 -1.50 -0.14 0.00 -0.02 0.00 0.00 35.03 33.37 3med n LYS 219 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 3med h LYS 220 N 0.00 0.29 -3.32 1.97 3.64 -2.03 -3.40 116.57 113.72 3med h LYS 220 Ca 0.00 -0.50 -0.66 0.00 -1.27 0.00 0.00 60.65 58.22 3med h LYS 220 Cb 0.08 0.19 -0.39 0.00 -0.41 0.00 0.00 32.23 31.70 3med h LYS 220 CO 0.00 1.17 -0.44 -3.38 -2.27 0.00 0.00 179.45 174.53 3med s HIS 221 N -2.60 3.51 -0.03 1.91 -3.43 -1.19 -5.03 115.29 108.43 3med s HIS 221 Ca -0.12 -3.10 -0.00 0.00 -0.80 0.00 0.00 55.06 51.04 3med s HIS 221 Cb 0.06 -2.96 0.03 0.00 -1.43 0.00 0.00 32.58 28.28 3med s HIS 221 CO 0.85 -0.70 0.02 -0.65 -2.00 0.00 0.00 174.74 172.26 3med s GLN 222 N -0.84 0.17 0.76 -0.38 -0.21 -1.26 -4.69 119.66 113.21 3med s GLN 222 Ca 0.22 0.16 -0.13 0.00 0.02 0.00 0.00 55.36 55.63 3med s GLN 222 Cb -0.14 -0.46 0.18 0.00 1.00 0.00 0.00 33.01 33.58 3med s GLN 222 CO -0.09 -0.19 0.96 1.63 -2.12 0.00 0.00 175.29 175.48 3med n LYS 223 N 4.42 -1.25 -4.47 2.91 4.76 -1.26 -5.08 118.16 118.19 3med n LYS 223 Ca -0.21 -1.49 -0.24 0.00 -2.87 0.00 0.00 58.31 53.50 3med n LYS 223 Cb 0.50 -1.05 -0.10 0.00 -1.84 0.00 0.00 35.03 32.54 3med n LYS 223 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 3med s GLU 224 N -5.10 1.68 0.56 1.97 2.56 -1.26 -4.93 118.70 114.18 3med s GLU 224 Ca 0.55 -1.79 -0.21 0.00 0.00 0.00 0.00 54.97 53.52 3med s GLU 224 Cb -0.02 -1.71 -0.04 0.00 2.00 0.00 0.00 34.13 34.36 3med s GLU 224 CO 0.39 0.28 1.35 -2.30 -0.56 0.00 0.00 175.26 174.43 3med n PRO 225 N -0.63 1.62 -1.84 4.30 -0.02 -1.26 -4.14 135.00 133.03 3med n PRO 225 Ca -0.05 0.60 -0.32 0.00 -2.02 0.00 0.00 63.50 61.71 3med n PRO 225 Cb 0.61 -2.57 0.02 0.00 -0.02 0.00 0.00 33.50 31.54 3med n PRO 225 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3med s PRO 226 N -2.94 3.27 -0.15 0.52 0.04 -1.26 -5.13 135.00 129.35 3med s PRO 226 Ca 0.73 0.97 -0.05 0.00 0.04 0.00 0.00 61.00 62.69 3med s PRO 226 Cb -0.41 -2.03 -0.04 0.00 0.04 0.00 0.00 34.50 32.06 3med s PRO 226 CO 0.48 -0.83 0.03 -0.06 0.04 0.00 0.00 177.00 176.65 3med s PHE 227 N -2.88 3.19 -0.05 0.56 0.08 0.69 -4.87 117.98 114.69 3med s PHE 227 Ca 0.59 0.02 -0.26 0.00 0.12 0.00 0.00 56.93 57.41 3med s PHE 227 Cb -0.13 -1.98 -0.03 0.00 -0.57 0.00 0.00 43.02 40.31 3med s PHE 227 CO 0.48 0.20 0.79 -0.51 -0.10 0.00 0.00 175.22 176.08 3med s LEU 228 N 0.02 4.33 -0.21 -0.37 1.43 -1.26 0.13 118.68 122.74 3med s LEU 228 Ca 0.04 1.33 -0.08 0.00 -1.03 0.00 0.00 54.13 54.39 3med s LEU 228 Cb -0.13 -3.24 0.09 0.00 0.03 0.00 0.00 46.19 42.95 3med s LEU 228 CO 0.02 -0.17 0.47 0.86 0.23 0.00 0.00 176.35 177.75 3med s TRP 229 N 0.93 -0.87 -1.56 0.29 -0.00 -0.30 -4.94 118.94 112.48 3med s TRP 229 Ca 0.42 1.65 -0.17 0.00 -0.00 0.00 0.00 56.10 58.00 3med s TRP 229 Cb -0.19 0.39 0.16 0.00 -0.00 0.00 0.00 33.47 33.83 3med s TRP 229 CO 0.21 -0.49 0.63 -1.33 -0.00 0.00 0.00 176.95 175.97 3med n MET 230 N 5.20 -2.53 -0.56 5.86 2.81 -1.26 0.45 117.12 127.08 3med n MET 230 Ca -0.12 0.30 0.00 0.00 -1.81 0.00 0.00 57.70 56.08 3med n MET 230 Cb 0.51 -4.97 0.00 0.00 -0.71 0.00 0.00 33.22 28.04 3med n MET 230 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3med n GLY 231 N -1.19 0.75 3.74 3.03 0.00 -1.26 -5.04 105.19 105.21 3med n GLY 231 Ca 0.07 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.85 3med n GLY 231 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3med s TYR 232 N -2.60 2.66 -0.22 1.61 2.02 0.17 -1.10 117.35 119.90 3med s TYR 232 Ca 0.00 -0.46 0.02 0.00 -0.37 0.00 0.00 57.07 56.26 3med s TYR 232 Cb 0.00 -1.77 0.05 0.00 -0.40 0.00 0.00 41.96 39.84 3med s TYR 232 CO 0.00 0.27 -0.12 -2.00 -1.57 0.00 0.00 175.55 172.13 3med s GLU 233 N -3.87 2.24 -0.20 -0.62 2.12 0.12 -1.15 118.70 117.34 3med s GLU 233 Ca 0.39 -1.01 -0.07 0.00 0.36 0.00 0.00 54.97 54.64 3med s GLU 233 Cb -0.00 -2.61 -0.04 0.00 0.26 0.00 0.00 34.13 31.74 3med s GLU 233 CO 0.23 -0.45 0.05 -0.51 -0.54 0.00 0.00 175.26 174.04 3med s LEU 234 N 1.28 3.63 0.36 2.70 1.02 0.36 -2.11 118.68 125.91 3med s LEU 234 Ca -0.03 -0.03 0.09 0.00 0.02 0.00 0.00 54.13 54.18 3med s LEU 234 Cb -0.17 -1.93 -0.06 0.00 0.02 0.00 0.00 46.19 44.05 3med s LEU 234 CO -0.08 0.11 0.03 -1.00 0.02 0.00 0.00 176.35 175.44 3med s HIS 235 N 0.75 2.55 0.36 0.29 3.76 -0.05 -0.22 115.29 122.73 3med s HIS 235 Ca 0.03 -0.48 0.10 0.00 -0.15 0.00 0.00 55.06 54.56 3med s HIS 235 Cb -0.14 -1.58 0.86 0.00 1.11 0.00 0.00 32.58 32.83 3med s HIS 235 CO 0.02 0.44 1.86 -1.35 -0.85 0.00 0.00 174.74 174.85 3med h PRO 236 N 1.75 0.63 0.00 8.40 0.11 -1.90 -3.22 132.00 137.78 3med h PRO 236 Ca -0.43 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 65.59 3med h PRO 236 Cb 1.25 -0.14 -0.10 0.00 0.11 0.00 0.00 31.00 32.11 3med h PRO 236 CO 0.68 0.42 -0.58 -0.40 -0.21 0.00 0.00 178.00 177.91 3med n ASP 237 N -4.57 0.21 -3.79 -2.05 5.68 -1.26 -2.07 116.55 108.70 3med n ASP 237 Ca 0.18 -1.91 -0.10 0.00 -0.50 0.00 0.00 54.79 52.47 3med n ASP 237 Cb 0.52 -0.19 -0.05 0.00 -1.14 0.00 0.00 41.12 40.26 3med n ASP 237 CO 0.00 0.00 0.00 -1.59 -1.33 0.00 0.00 177.20 174.28 3med s LYS 238 N 0.00 1.32 0.11 0.11 -2.85 -1.22 -4.49 119.74 112.72 3med s LYS 238 Ca 0.09 -0.94 -0.08 0.00 -1.00 0.00 0.00 55.97 54.04 3med s LYS 238 Cb 0.10 0.48 -0.01 0.00 -2.06 0.00 0.00 37.83 36.35 3med s LYS 238 CO -0.04 -0.54 0.20 1.67 0.10 0.00 0.00 175.35 176.74 3med s TRP 239 N -3.90 0.26 0.25 1.78 1.48 -0.61 -0.87 118.94 117.34 3med s TRP 239 Ca 0.11 -0.68 -0.22 0.00 -1.06 0.00 0.00 56.10 54.25 3med s TRP 239 Cb 0.00 -0.09 0.03 0.00 -1.16 0.00 0.00 33.47 32.25 3med s TRP 239 CO -0.02 -0.58 0.78 -0.08 -4.06 0.00 0.00 176.95 172.99 3med s THR 240 N -3.90 0.00 0.61 0.66 -1.32 -0.90 0.22 115.64 111.01 3med s THR 240 Ca 0.09 -0.91 -0.14 0.00 -1.21 0.00 0.00 61.69 59.51 3med s THR 240 Cb 0.05 -2.03 -0.03 0.00 -1.51 0.00 0.00 72.50 68.97 3med s THR 240 CO -0.08 0.00 1.04 0.68 -2.21 0.00 0.00 174.62 174.06 3med s VAL 241 N -3.70 4.03 0.60 5.08 -7.23 -1.26 0.13 120.40 118.05 3med s VAL 241 Ca 0.12 0.87 -0.19 0.00 -1.81 0.00 0.00 61.98 60.96 3med s VAL 241 Cb -0.05 -3.47 -0.03 0.00 0.56 0.00 0.00 36.38 33.39 3med s VAL 241 CO 0.06 -0.66 1.26 -1.10 -0.31 0.00 0.00 175.10 174.35 3med s GLN 242 N -4.39 2.89 0.00 4.82 -0.21 -0.26 -4.47 119.66 118.05 3med s GLN 242 Ca 0.61 1.98 -0.36 0.00 0.02 0.00 0.00 55.36 57.61 3med s GLN 242 Cb -0.14 -1.97 -0.14 0.00 1.00 0.00 0.00 33.01 31.75 3med s GLN 242 CO 0.42 -1.31 1.62 -2.30 -2.12 0.00 0.00 175.29 171.60 3med n PRO 243 N -1.56 1.72 -3.84 2.91 -0.02 -1.26 -4.93 135.00 128.03 3med n PRO 243 Ca 0.14 0.63 -0.36 0.00 -2.02 0.00 0.00 63.50 61.88 3med n PRO 243 Cb 0.48 -2.37 -0.13 0.00 -0.02 0.00 0.00 33.50 31.46 3med n PRO 243 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3med s ILE 244 N 2.07 3.34 -0.30 4.25 1.01 -1.26 -5.08 121.20 125.23 3med s ILE 244 Ca 0.87 -1.27 -0.11 0.00 0.00 0.00 0.00 60.65 60.14 3med s ILE 244 Cb -0.82 -2.91 -0.03 0.00 0.01 0.00 0.00 42.46 38.71 3med s ILE 244 CO 0.49 -0.14 0.18 0.54 0.00 0.00 0.00 174.94 176.01 3med s VAL 245 N 1.32 5.02 -0.34 2.92 0.11 -1.26 -5.06 120.40 123.11 3med s VAL 245 Ca -0.04 -0.12 -0.19 0.00 -2.93 0.00 0.00 61.98 58.70 3med s VAL 245 Cb -0.20 -3.48 -0.00 0.00 -1.53 0.00 0.00 36.38 31.17 3med s VAL 245 CO 0.01 0.15 0.58 -0.76 -3.33 0.00 0.00 175.10 171.75 3med s LEU 246 N 1.70 4.26 0.70 2.54 1.43 -1.26 -5.05 118.68 123.00 3med s LEU 246 Ca 0.06 0.15 -0.16 0.00 -1.03 0.00 0.00 54.13 53.15 3med s LEU 246 Cb -0.17 -2.71 -0.02 0.00 0.03 0.00 0.00 46.19 43.33 3med s LEU 246 CO 0.09 -0.52 0.85 -2.65 0.23 0.00 0.00 176.35 174.35 3med n PRO 247 N 5.88 0.52 -3.35 1.29 -0.02 -1.26 -4.99 135.00 133.07 3med n PRO 247 Ca -0.03 0.23 -0.42 0.00 -2.02 0.00 0.00 63.50 61.26 3med n PRO 247 Cb 0.49 -2.11 -0.09 0.00 -0.02 0.00 0.00 33.50 31.77 3med n PRO 247 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 3med s GLU 248 N -3.07 3.30 0.01 -0.52 0.41 -1.26 -5.06 118.70 112.50 3med s GLU 248 Ca 0.72 -0.60 0.00 0.00 -0.41 0.00 0.00 54.97 54.68 3med s GLU 248 Cb -0.36 -3.90 -0.01 0.00 -1.78 0.00 0.00 34.13 28.09 3med s GLU 248 CO 0.51 -0.71 -0.02 0.15 -0.49 0.00 0.00 175.26 174.71 3med s LYS 249 N 2.09 0.17 0.06 1.61 1.02 -1.26 -5.02 119.74 118.40 3med s LYS 249 Ca 0.12 -0.26 0.17 0.00 0.02 0.00 0.00 55.97 56.02 3med s LYS 249 Cb -0.17 -0.01 -0.14 0.00 -0.52 0.00 0.00 37.83 36.99 3med s LYS 249 CO 0.13 -0.01 0.79 -0.25 -0.92 0.00 0.00 175.35 175.09 3med n ASP 250 N 2.49 0.79 -4.05 2.83 10.43 -1.26 -4.85 116.55 122.92 3med n ASP 250 Ca -0.17 0.34 -0.28 0.00 2.57 0.00 0.00 54.79 57.26 3med n ASP 250 Cb 0.58 0.29 -0.17 0.00 1.84 0.00 0.00 41.12 43.66 3med n ASP 250 CO 0.00 0.00 0.00 -0.44 -1.07 0.00 0.00 177.20 175.69 3med s SER 251 N -5.69 2.38 -0.17 -2.24 0.01 -1.26 -5.00 113.70 101.74 3med s SER 251 Ca -0.03 -0.41 -0.03 0.00 1.31 0.00 0.00 55.95 56.78 3med s SER 251 Cb 0.09 -1.07 -0.02 0.00 0.21 0.00 0.00 66.02 65.23 3med s SER 251 CO 0.81 0.02 -0.05 0.26 0.41 0.00 0.00 173.24 174.69 3med s TRP 252 N 0.95 2.96 0.50 2.43 0.52 -1.26 -5.04 118.94 120.00 3med s TRP 252 Ca -0.08 -0.53 -0.12 0.00 0.02 0.00 0.00 56.10 55.40 3med s TRP 252 Cb -0.15 -1.98 -0.06 0.00 -1.15 0.00 0.00 33.47 30.13 3med s TRP 252 CO -0.01 -0.21 0.91 0.95 0.02 0.00 0.00 176.95 178.61 3med s THR 253 N 0.68 4.70 0.29 2.01 -4.23 -1.26 -0.37 115.64 117.46 3med s THR 253 Ca -0.03 0.83 -0.01 0.00 -1.18 0.00 0.00 61.69 61.31 3med s THR 253 Cb -0.15 -3.78 0.35 0.00 1.34 0.00 0.00 72.50 70.27 3med s THR 253 CO 0.02 -0.77 1.61 0.58 -0.54 0.00 0.00 174.62 175.52 3med h VAL 254 N 0.59 0.18 -0.41 2.29 2.07 -0.55 0.93 116.25 121.34 3med h VAL 254 Ca -0.46 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.03 3med h VAL 254 Cb 1.19 0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 3med h VAL 254 CO 0.62 0.02 0.27 -1.13 0.02 0.00 0.00 177.57 177.37 3med h ASN 255 N 0.08 0.48 -0.80 0.57 -0.00 -1.57 -2.27 115.58 112.08 3med h ASN 255 Ca 0.54 -0.02 0.01 0.00 -0.00 0.00 0.00 56.30 56.83 3med h ASN 255 Cb 1.07 -0.12 -0.04 0.00 -0.00 0.00 0.00 38.32 39.23 3med h ASN 255 CO -0.79 0.35 0.53 0.44 -0.00 0.00 0.00 177.43 177.96 3med h ASP 256 N 0.55 0.90 -0.28 1.15 3.45 -1.14 -1.93 116.42 119.13 3med h ASP 256 Ca 0.15 -0.02 -0.14 0.00 0.43 0.00 0.00 57.03 57.45 3med h ASP 256 Cb -0.05 -0.22 -0.01 0.00 -0.56 0.00 0.00 39.33 38.49 3med h ASP 256 CO -0.03 0.65 -0.35 0.40 -1.57 0.00 0.00 179.24 178.34 3med h ILE 257 N 1.06 1.28 -0.06 0.35 2.04 -1.16 0.28 117.51 121.30 3med h ILE 257 Ca 0.30 -1.51 0.02 0.00 1.00 0.00 0.00 64.86 64.66 3med h ILE 257 Cb -0.10 1.38 -0.02 0.00 -0.74 0.00 0.00 36.82 37.34 3med h ILE 257 CO -0.07 0.50 -0.04 1.56 0.00 0.00 0.00 178.15 180.09 3med h GLN 258 N 0.67 -0.05 -0.75 2.37 4.20 -1.12 0.18 115.11 120.61 3med h GLN 258 Ca 0.07 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.77 3med h GLN 258 Cb 0.90 0.01 -0.04 0.00 0.30 0.00 0.00 27.48 28.66 3med h GLN 258 CO 0.08 -0.03 0.45 0.87 -0.67 0.00 0.00 178.83 179.53 3med h LYS 259 N -0.05 1.03 -0.73 1.46 1.57 -1.17 -1.11 116.57 117.57 3med h LYS 259 Ca 0.04 -0.10 -0.03 0.00 -1.87 0.00 0.00 60.65 58.70 3med h LYS 259 Cb 0.11 -0.21 -0.03 0.00 0.08 0.00 0.00 32.23 32.17 3med h LYS 259 CO -0.09 0.73 0.35 1.25 -0.57 0.00 0.00 179.45 181.13 3med h LEU 260 N 1.03 0.94 -0.24 2.94 7.12 -0.52 -1.84 115.31 124.75 3med h LEU 260 Ca 0.27 -0.10 -0.06 0.00 0.13 0.00 0.00 57.88 58.12 3med h LEU 260 Cb -0.02 -0.24 -0.01 0.00 -0.53 0.00 0.00 40.66 39.86 3med h LEU 260 CO -0.05 0.79 -0.08 0.58 -0.13 0.00 0.00 178.44 179.55 3med h VAL 261 N 1.04 1.29 -0.94 1.05 2.07 -0.20 -2.52 116.25 118.04 3med h VAL 261 Ca 0.25 -1.12 0.01 0.00 0.82 0.00 0.00 66.70 66.66 3med h VAL 261 Cb 0.10 1.53 -0.05 0.00 -1.52 0.00 0.00 31.29 31.35 3med h VAL 261 CO -0.03 0.35 0.60 1.23 0.02 0.00 0.00 177.57 179.74 3med h GLY 262 N 0.21 1.33 1.53 2.17 0.00 -0.71 0.31 103.07 107.91 3med h GLY 262 Ca 0.06 -0.51 -0.14 0.00 0.00 0.00 0.00 47.33 46.73 3med h GLY 262 CO 0.03 0.50 -0.47 0.50 0.00 0.00 0.00 176.54 177.10 3med h LYS 263 N 1.28 0.51 -0.15 4.80 1.57 -1.33 -0.33 116.57 122.92 3med h LYS 263 Ca 0.34 -0.28 -0.05 0.00 -1.87 0.00 0.00 60.65 58.79 3med h LYS 263 Cb -0.12 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.20 3med h LYS 263 CO -0.07 0.87 -0.11 -0.07 -0.57 0.00 0.00 179.45 179.50 3med h LEU 264 N 0.41 0.35 -1.39 2.94 4.07 -0.93 0.42 115.31 121.19 3med h LEU 264 Ca 0.02 -0.45 0.04 0.00 0.08 0.00 0.00 57.88 57.57 3med h LEU 264 Cb 0.97 -0.10 -0.04 0.00 1.08 0.00 0.00 40.66 42.58 3med h LEU 264 CO 0.09 0.73 0.45 0.78 -1.08 0.00 0.00 178.44 179.41 3med h ASN 265 N -0.02 0.68 -0.27 -0.43 2.35 -0.29 0.15 115.58 117.75 3med h ASN 265 Ca 0.03 -0.01 -0.14 0.00 -0.55 0.00 0.00 56.30 55.63 3med h ASN 265 Cb 0.62 -0.16 -0.00 0.00 0.05 0.00 0.00 38.32 38.83 3med h ASN 265 CO 0.03 0.46 -0.40 -0.25 -1.65 0.00 0.00 177.43 175.63 3med h TRP 266 N 0.79 0.92 0.00 1.19 2.91 -0.83 -3.00 115.95 117.92 3med h TRP 266 Ca 0.27 -0.31 -0.04 0.00 1.13 0.00 0.00 58.89 59.95 3med h TRP 266 Cb 0.11 -0.18 -0.01 0.00 -0.51 0.00 0.00 29.16 28.57 3med h TRP 266 CO -0.00 1.09 -0.19 0.00 -1.03 0.00 0.00 178.44 178.31 3med h ALA 267 N 0.67 1.27 0.00 2.65 0.00 0.19 -2.68 119.26 121.37 3med h ALA 267 Ca 0.03 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3med h ALA 267 Cb 0.99 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.75 3med h ALA 267 CO 0.09 0.23 0.00 -1.13 0.00 0.00 0.00 179.25 178.44 3med n SER 268 N -3.71 0.00 0.24 0.00 3.41 -0.07 -1.09 113.62 112.41 3med n SER 268 Ca -0.01 -0.55 0.15 0.00 -0.26 0.00 0.00 58.87 58.19 3med n SER 268 Cb 0.30 0.00 0.45 0.00 -0.26 0.00 0.00 64.21 64.70 3med n SER 268 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 3med h GLN 269 N 0.00 0.00 0.00 4.33 4.20 -1.64 -3.08 115.11 118.92 3med h GLN 269 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3med h GLN 269 Cb 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 3med h GLN 269 CO 0.00 0.00 0.00 1.51 -0.67 0.00 0.00 178.83 179.67 3med n ILE 270 N -3.03 0.00 -3.10 2.54 0.13 -0.94 0.37 119.36 115.32 3med n ILE 270 Ca 0.02 0.00 -0.43 0.00 -1.10 0.00 0.00 62.75 61.24 3med n ILE 270 Cb 0.40 0.11 -0.07 0.00 -0.84 0.00 0.00 39.64 39.25 3med n ILE 270 CO 0.00 0.00 0.00 -0.31 2.80 0.00 0.00 176.55 179.04 3med s TYR 271 N 0.00 3.06 0.35 9.51 2.02 -0.25 -4.73 117.35 127.31 3med s TYR 271 Ca 0.00 -0.05 -0.28 0.00 -0.37 0.00 0.00 57.07 56.37 3med s TYR 271 Cb 0.00 -3.36 -0.10 0.00 -0.40 0.00 0.00 41.96 38.10 3med s TYR 271 CO 0.00 -0.88 1.34 -2.14 -1.57 0.00 0.00 175.55 172.31 3med s PRO 272 N 2.84 4.26 -1.20 -1.71 0.02 -1.26 -3.66 135.00 134.29 3med s PRO 272 Ca 0.23 2.28 -0.07 0.00 0.02 0.00 0.00 61.00 63.46 3med s PRO 272 Cb -0.14 -3.01 0.01 0.00 0.02 0.00 0.00 34.50 31.38 3med s PRO 272 CO 0.19 -0.30 1.04 0.41 -0.33 0.00 0.00 177.00 178.02 3med n GLY 273 N 0.71 -0.38 3.74 0.52 0.00 -1.26 -5.00 105.19 103.53 3med n GLY 273 Ca 0.01 0.14 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 3med n GLY 273 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3med s ILE 274 N -3.29 4.45 -0.03 -0.61 -1.09 -1.24 -4.97 121.20 114.42 3med s ILE 274 Ca 0.44 2.00 0.07 0.00 -2.23 0.00 0.00 60.65 60.93 3med s ILE 274 Cb -0.19 -4.29 -0.02 0.00 -1.58 0.00 0.00 42.46 36.38 3med s ILE 274 CO 0.66 0.37 -0.24 -0.54 -1.23 0.00 0.00 174.94 173.95 3med s LYS 275 N -0.27 2.07 -0.01 2.79 1.02 -1.26 -4.99 119.74 119.09 3med s LYS 275 Ca 0.44 -0.86 0.01 0.00 0.02 0.00 0.00 55.97 55.58 3med s LYS 275 Cb -0.23 -1.93 0.01 0.00 -0.52 0.00 0.00 37.83 35.16 3med s LYS 275 CO 0.29 0.48 0.84 1.33 -0.92 0.00 0.00 175.35 177.36 3med n VAL 276 N 2.62 0.67 0.04 3.17 0.24 -1.26 -4.87 118.33 118.95 3med n VAL 276 Ca -0.16 -0.69 -0.10 0.00 -2.04 0.00 0.00 64.34 61.34 3med n VAL 276 Cb 0.52 0.64 -0.04 0.00 -1.47 0.00 0.00 33.84 33.49 3med n VAL 276 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 3med h ARG 277 N 0.00 -0.25 -0.03 7.34 2.43 -1.98 -0.04 114.38 121.84 3med h ARG 277 Ca 0.00 0.02 -0.13 0.00 -0.81 0.00 0.00 59.98 59.06 3med h ARG 277 Cb 0.71 0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.30 3med h ARG 277 CO 0.00 -0.17 -0.59 1.96 -1.51 0.00 0.00 179.97 179.66 3med h GLN 278 N -0.26 0.11 0.00 0.20 1.08 -1.91 -1.75 115.11 112.58 3med h GLN 278 Ca 0.07 -0.07 -0.17 0.00 -1.45 0.00 0.00 58.65 57.02 3med h GLN 278 Cb 0.36 0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.77 3med h GLN 278 CO -0.19 0.66 -0.81 -0.07 -0.95 0.00 0.00 178.83 177.46 3med h LEU 279 N 0.08 0.04 -0.25 1.46 3.38 -1.82 -3.25 115.31 114.95 3med h LEU 279 Ca -0.01 -0.04 -0.19 0.00 0.09 0.00 0.00 57.88 57.74 3med h LEU 279 Cb 1.06 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.77 3med h LEU 279 CO 0.08 0.84 -0.88 0.00 0.09 0.00 0.00 178.44 178.57 3med h LYS 281 N 0.01 0.00 -0.24 0.00 3.64 -1.36 -1.27 116.57 117.35 3med h LYS 281 Ca -0.01 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.32 3med h LYS 281 Cb 1.55 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.36 3med h LYS 281 CO 0.12 0.13 -0.06 -0.07 -2.27 0.00 0.00 179.45 177.30 3med h LEU 282 N 0.00 0.34 -0.59 5.20 4.07 -1.59 -3.02 115.31 119.72 3med h LEU 282 Ca -0.00 -0.06 -0.15 0.00 0.08 0.00 0.00 57.88 57.75 3med h LEU 282 Cb 0.40 -0.09 -0.02 0.00 1.08 0.00 0.00 40.66 42.03 3med h LEU 282 CO 0.02 0.45 -0.70 -0.07 -1.08 0.00 0.00 178.44 177.06 3med h LEU 283 N 0.35 0.04 -9.11 1.67 4.07 -1.33 -3.45 115.31 107.56 3med h LEU 283 Ca 0.08 -0.03 -0.67 0.00 0.08 0.00 0.00 57.88 57.34 3med h LEU 283 Cb 0.33 -0.01 0.10 0.00 1.08 0.00 0.00 40.66 42.16 3med h LEU 283 CO 0.01 0.72 -0.30 0.54 -1.08 0.00 0.00 178.44 178.34 3med n ARG 284 N -3.72 0.32 0.00 1.13 1.74 -1.14 -4.69 116.66 110.29 3med n ARG 284 Ca -0.01 0.11 0.00 0.00 -0.77 0.00 0.00 57.85 57.18 3med n ARG 284 Cb 0.68 -1.26 0.00 0.00 -1.02 0.00 0.00 32.46 30.86 3med n ARG 284 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3med n GLY 285 N 1.81 -2.09 3.20 -0.13 0.00 -1.26 -4.95 105.19 101.77 3med n GLY 285 Ca 0.16 -2.16 -0.34 0.00 0.00 0.00 0.00 46.02 43.68 3med n GLY 285 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3med s THR 286 N -0.57 2.81 -0.01 2.61 -1.32 -1.26 -5.09 115.64 112.81 3med s THR 286 Ca 0.00 -0.99 -0.13 0.00 -1.21 0.00 0.00 61.69 59.36 3med s THR 286 Cb 0.00 -2.40 0.02 0.00 -1.51 0.00 0.00 72.50 68.61 3med s THR 286 CO 0.00 0.24 0.26 -0.54 -2.21 0.00 0.00 174.62 172.38 3med s LYS 287 N 1.33 0.60 0.90 7.08 -0.14 -1.26 -5.16 119.74 123.08 3med s LYS 287 Ca 0.01 -0.21 -0.10 0.00 -1.36 0.00 0.00 55.97 54.30 3med s LYS 287 Cb -0.16 0.26 0.13 0.00 -1.68 0.00 0.00 37.83 36.39 3med s LYS 287 CO -0.05 -0.16 1.13 0.00 -0.76 0.00 0.00 175.35 175.51 3med s ALA 288 N -1.26 1.54 0.27 5.17 0.00 -1.26 -4.92 121.76 121.30 3med s ALA 288 Ca -0.13 0.49 0.17 0.00 0.00 0.00 0.00 51.96 52.49 3med s ALA 288 Cb -0.06 -3.40 0.75 0.00 0.00 0.00 0.00 23.12 20.41 3med s ALA 288 CO 0.03 -2.61 1.79 1.25 0.00 0.00 0.00 175.76 176.22 3med h LEU 289 N -1.76 0.00 -0.05 0.00 5.85 -2.00 -3.01 115.31 114.34 3med h LEU 289 Ca -0.44 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.28 3med h LEU 289 Cb 1.26 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.29 3med h LEU 289 CO 0.44 0.37 -0.17 0.35 -0.34 0.00 0.00 178.44 179.09 3med n THR 290 N -3.73 0.00 -2.85 1.05 -2.24 -1.26 -1.57 114.28 103.68 3med n THR 290 Ca -0.01 -0.01 -0.33 0.00 -2.27 0.00 0.00 64.05 61.43 3med n THR 290 Cb 0.46 -0.19 -0.06 0.00 -2.10 0.00 0.00 70.33 68.43 3med n THR 290 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3med s GLU 291 N -2.88 4.14 -0.15 -0.78 2.12 -1.14 -4.78 118.70 115.24 3med s GLU 291 Ca 0.17 0.98 -0.14 0.00 0.36 0.00 0.00 54.97 56.34 3med s GLU 291 Cb 0.19 -2.24 -0.05 0.00 0.26 0.00 0.00 34.13 32.29 3med s GLU 291 CO 0.57 -0.01 0.33 0.08 -0.54 0.00 0.00 175.26 175.68 3med s VAL 292 N -2.18 5.28 -0.35 3.70 1.01 -1.26 -0.17 120.40 126.43 3med s VAL 292 Ca 0.60 0.62 -0.06 0.00 0.00 0.00 0.00 61.98 63.14 3med s VAL 292 Cb -0.09 -3.66 0.05 0.00 0.00 0.00 0.00 36.38 32.68 3med s VAL 292 CO 0.16 0.39 0.11 -0.63 0.00 0.00 0.00 175.10 175.14 3med s ILE 293 N 0.41 3.65 -0.14 2.22 -1.09 0.51 -4.94 121.20 121.82 3med s ILE 293 Ca 0.18 -1.30 -0.33 0.00 -2.23 0.00 0.00 60.65 56.97 3med s ILE 293 Cb -0.13 -3.13 -0.11 0.00 -1.58 0.00 0.00 42.46 37.51 3med s ILE 293 CO 0.05 -0.25 1.97 -2.65 -1.23 0.00 0.00 174.94 172.83 3med n PRO 294 N 4.77 2.04 -1.89 2.79 -0.02 -1.26 -4.54 135.00 136.89 3med n PRO 294 Ca -0.11 0.71 -0.37 0.00 -2.02 0.00 0.00 63.50 61.71 3med n PRO 294 Cb 0.44 -2.71 0.04 0.00 -0.02 0.00 0.00 33.50 31.25 3med n PRO 294 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3med s LEU 295 N 5.04 3.69 0.00 2.45 1.43 -1.26 -5.02 118.68 125.01 3med s LEU 295 Ca 0.96 2.54 -0.03 0.00 -1.03 0.00 0.00 54.13 56.57 3med s LEU 295 Cb -0.66 -4.52 0.09 0.00 0.03 0.00 0.00 46.19 41.13 3med s LEU 295 CO 0.49 -1.70 0.58 0.35 0.23 0.00 0.00 176.35 176.31 3med n THR 296 N -1.52 0.00 0.04 5.49 -2.24 -1.26 -4.86 114.28 109.93 3med n THR 296 Ca 0.13 -0.71 -0.12 0.00 -2.27 0.00 0.00 64.05 61.08 3med n THR 296 Cb 0.48 -1.35 -0.09 0.00 -2.10 0.00 0.00 70.33 67.28 3med n THR 296 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 3med h GLU 297 N 0.00 -0.17 -0.66 -0.78 4.39 -1.98 -0.31 114.58 115.07 3med h GLU 297 Ca -0.19 0.01 0.11 0.00 0.34 0.00 0.00 59.36 59.63 3med h GLU 297 Cb 0.63 0.04 -0.08 0.00 -0.10 0.00 0.00 28.75 29.24 3med h GLU 297 CO 0.18 0.29 0.24 0.93 -1.16 0.00 0.00 179.01 179.48 3med h GLU 298 N -0.75 0.39 -0.38 2.33 3.07 -1.97 0.14 114.58 117.41 3med h GLU 298 Ca -0.02 -0.02 -0.09 0.00 -0.50 0.00 0.00 59.36 58.73 3med h GLU 298 Cb 0.54 -0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 28.34 3med h GLU 298 CO 0.03 0.26 -0.14 0.00 -1.40 0.00 0.00 179.01 177.75 3med h ALA 299 N 1.47 1.04 -0.14 3.43 0.00 -1.82 0.04 119.26 123.29 3med h ALA 299 Ca 0.35 -0.32 -0.11 0.00 0.00 0.00 0.00 54.91 54.83 3med h ALA 299 Cb 0.47 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3med h ALA 299 CO -0.36 0.58 -0.38 0.93 0.00 0.00 0.00 179.25 180.02 3med h GLU 300 N 0.62 0.30 0.14 0.00 4.39 0.34 -1.82 114.58 118.55 3med h GLU 300 Ca 0.10 -0.14 -0.29 0.00 0.34 0.00 0.00 59.36 59.37 3med h GLU 300 Cb 0.60 -0.01 0.02 0.00 -0.10 0.00 0.00 28.75 29.26 3med h GLU 300 CO 0.04 0.65 -1.27 -0.07 -1.16 0.00 0.00 179.01 177.20 3med h LEU 301 N 0.26 0.67 0.10 1.33 -0.00 -0.49 -2.92 115.31 114.26 3med h LEU 301 Ca 0.03 -0.66 0.02 0.00 -0.00 0.00 0.00 57.88 57.26 3med h LEU 301 Cb 0.79 -0.21 -0.04 0.00 -0.00 0.00 0.00 40.66 41.20 3med h LEU 301 CO 0.06 1.50 -0.36 -0.33 -0.00 0.00 0.00 178.44 179.31 3med h GLU 302 N 0.17 -0.56 -0.86 1.13 5.08 -0.91 0.44 114.58 119.07 3med h GLU 302 Ca -0.17 0.04 0.20 0.00 -1.00 0.00 0.00 59.36 58.42 3med h GLU 302 Cb 1.96 0.13 -0.06 0.00 0.50 0.00 0.00 28.75 31.28 3med h GLU 302 CO 0.23 -0.37 0.58 1.25 -1.00 0.00 0.00 179.01 179.69 3med h LEU 303 N -0.58 0.34 0.10 1.33 5.85 -1.40 0.28 115.31 121.23 3med h LEU 303 Ca 0.03 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.78 3med h LEU 303 Cb 0.62 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.62 3med h LEU 303 CO -0.23 0.14 -0.05 0.00 -0.34 0.00 0.00 178.44 177.97 3med h ALA 304 N 1.62 -0.13 -0.99 1.25 0.00 -0.99 -1.29 119.26 118.72 3med h ALA 304 Ca 0.44 -0.23 0.09 0.00 0.00 0.00 0.00 54.91 55.22 3med h ALA 304 Cb 1.17 0.05 -0.08 0.00 0.00 0.00 0.00 17.79 18.94 3med h ALA 304 CO -0.14 -0.33 0.63 1.49 0.00 0.00 0.00 179.25 180.90 3med h GLU 305 N -0.62 1.04 -0.36 0.00 4.81 0.15 -1.50 114.58 118.10 3med h GLU 305 Ca -0.01 -0.06 -0.14 0.00 -0.13 0.00 0.00 59.36 59.01 3med h GLU 305 Cb 0.49 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 29.63 3med h GLU 305 CO 0.02 0.69 -0.35 -0.91 -0.73 0.00 0.00 179.01 177.73 3med h ASN 306 N 1.07 0.88 0.79 1.04 -0.26 -0.46 -2.82 115.58 115.82 3med h ASN 306 Ca 0.46 -0.38 -0.04 0.00 -0.56 0.00 0.00 56.30 55.78 3med h ASN 306 Cb 0.33 -0.25 -0.01 0.00 -1.06 0.00 0.00 38.32 37.33 3med h ASN 306 CO -0.22 1.14 -0.20 -0.09 -1.06 0.00 0.00 177.43 177.00 3med h ARG 307 N 0.69 0.00 0.17 0.81 2.43 -0.23 -2.01 114.38 116.25 3med h ARG 307 Ca 0.07 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.23 3med h ARG 307 Cb 0.91 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.46 3med h ARG 307 CO 0.08 0.20 -0.08 0.93 -1.51 0.00 0.00 179.97 179.59 3med h GLU 308 N 0.00 -0.22 -1.02 0.20 4.39 -1.27 -3.03 114.58 113.63 3med h GLU 308 Ca -0.00 0.02 0.31 0.00 0.34 0.00 0.00 59.36 60.02 3med h GLU 308 Cb 0.65 0.05 -0.14 0.00 -0.10 0.00 0.00 28.75 29.21 3med h GLU 308 CO 0.03 0.18 0.60 0.82 -1.16 0.00 0.00 179.01 179.48 3med h ILE 309 N -0.90 0.35 0.00 3.13 2.04 -1.30 0.23 117.51 121.05 3med h ILE 309 Ca -0.02 -0.13 0.00 0.00 1.00 0.00 0.00 64.86 65.71 3med h ILE 309 Cb 0.51 -0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.54 3med h ILE 309 CO 0.04 0.07 -0.04 0.18 0.00 0.00 0.00 178.15 178.40 3med n LEU 310 N -4.97 0.24 0.30 1.44 4.77 -0.77 -4.17 117.00 113.84 3med n LEU 310 Ca 0.31 0.49 -0.16 0.00 -0.03 0.00 0.00 56.01 56.62 3med n LEU 310 Cb 0.96 -0.44 -0.08 0.00 -2.33 0.00 0.00 43.42 41.53 3med n LEU 310 CO 0.13 -0.04 0.52 0.11 -1.33 0.00 0.00 177.39 176.78 3med h LYS 311 N 0.00 -0.89 -6.18 3.23 1.79 -0.41 -3.41 116.57 110.71 3med h LYS 311 Ca 0.00 0.06 -0.55 0.00 -2.18 0.00 0.00 60.65 57.98 3med h LYS 311 Cb 0.56 0.20 -0.04 0.00 -1.58 0.00 0.00 32.23 31.37 3med h LYS 311 CO 0.00 -0.59 0.15 -1.21 -1.08 0.00 0.00 179.45 176.72 3med s GLU 312 N -5.36 4.47 0.40 3.15 8.01 -1.26 -5.01 118.70 123.10 3med s GLU 312 Ca -0.15 1.02 -0.27 0.00 0.01 0.00 0.00 54.97 55.58 3med s GLU 312 Cb 0.03 -3.42 -0.10 0.00 -4.31 0.00 0.00 34.13 26.33 3med s GLU 312 CO 0.49 0.12 1.46 -2.14 0.01 0.00 0.00 175.26 175.20 3med s PRO 313 N 0.55 3.99 0.07 0.39 0.02 -1.26 -5.02 135.00 133.74 3med s PRO 313 Ca 0.40 2.52 0.07 0.00 0.02 0.00 0.00 61.00 64.01 3med s PRO 313 Cb -0.19 -2.88 -0.03 0.00 0.02 0.00 0.00 34.50 31.42 3med s PRO 313 CO 0.21 -0.61 -0.20 0.14 -0.33 0.00 0.00 177.00 176.22 3med s VAL 314 N -1.15 1.61 0.29 3.83 -7.23 -1.26 -5.16 120.40 111.34 3med s VAL 314 Ca 0.55 -1.32 0.09 0.00 -1.81 0.00 0.00 61.98 59.49 3med s VAL 314 Cb -0.45 -1.44 -0.06 0.00 0.56 0.00 0.00 36.38 34.99 3med s VAL 314 CO 0.61 0.06 -0.11 -1.38 -0.31 0.00 0.00 175.10 173.97 3med s HIS 315 N -0.97 2.13 0.44 2.82 -3.43 -1.26 -4.78 115.29 110.24 3med s HIS 315 Ca 0.06 -0.54 0.08 0.00 -0.80 0.00 0.00 55.06 53.86 3med s HIS 315 Cb -0.09 -1.13 0.01 0.00 -1.43 0.00 0.00 32.58 29.94 3med s HIS 315 CO 0.03 0.48 0.55 0.20 -2.00 0.00 0.00 174.74 174.00 3med s GLY 316 N -3.49 1.97 0.29 -1.38 0.00 0.60 -4.75 107.32 100.56 3med s GLY 316 Ca 0.30 -1.76 0.11 0.00 0.00 0.00 0.00 44.72 43.37 3med s GLY 316 CO 0.13 -1.56 -0.18 0.14 0.00 0.00 0.00 173.10 171.63 3med s VAL 317 N -2.42 2.41 0.62 1.40 1.01 -0.50 -1.57 120.40 121.34 3med s VAL 317 Ca 0.54 -2.36 0.03 0.00 0.00 0.00 0.00 61.98 60.19 3med s VAL 317 Cb -0.08 -2.37 0.09 0.00 0.00 0.00 0.00 36.38 34.02 3med s VAL 317 CO 0.32 -0.36 0.85 -0.31 0.00 0.00 0.00 175.10 175.61 3med s TYR 318 N -2.54 1.92 -0.18 5.22 2.02 -1.26 -4.43 117.35 118.09 3med s TYR 318 Ca 0.30 -0.35 -0.14 0.00 -0.37 0.00 0.00 57.07 56.50 3med s TYR 318 Cb -0.03 -2.67 -0.04 0.00 -0.40 0.00 0.00 41.96 38.81 3med s TYR 318 CO 0.15 -1.26 0.33 -0.47 -1.57 0.00 0.00 175.55 172.73 3med s TYR 319 N -2.86 3.42 -0.34 2.71 5.04 -0.54 -4.95 117.35 119.82 3med s TYR 319 Ca 0.62 0.59 -0.11 0.00 -2.44 0.00 0.00 57.07 55.73 3med s TYR 319 Cb -0.07 -2.41 0.00 0.00 0.35 0.00 0.00 41.96 39.83 3med s TYR 319 CO 0.41 0.13 0.20 0.34 -1.34 0.00 0.00 175.55 175.28 3med s ASP 320 N 0.73 5.74 0.33 4.32 -1.08 -1.26 -4.55 116.67 120.90 3med s ASP 320 Ca 0.17 -0.67 0.24 0.00 -0.52 0.00 0.00 52.55 51.77 3med s ASP 320 Cb -0.14 -2.05 1.19 0.00 -1.46 0.00 0.00 42.92 40.47 3med s ASP 320 CO 0.06 -0.28 1.73 -0.65 0.52 0.00 0.00 175.17 176.55 3med h PRO 321 N 8.42 0.00 -0.12 4.34 0.11 -2.00 -2.88 132.00 139.87 3med h PRO 321 Ca -0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.81 3med h PRO 321 Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3med h PRO 321 CO 0.64 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.30 3med n SER 322 N -2.32 2.49 -4.35 -2.05 3.41 -1.26 -4.89 113.62 104.65 3med n SER 322 Ca -0.00 -1.82 -0.26 0.00 -0.26 0.00 0.00 58.87 56.52 3med n SER 322 Cb 0.10 -0.06 -0.13 0.00 -0.26 0.00 0.00 64.21 63.87 3med n SER 322 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3med s LYS 323 N -1.87 1.29 0.81 4.33 1.02 -1.09 -5.13 119.74 119.09 3med s LYS 323 Ca 0.33 -1.29 -0.11 0.00 0.02 0.00 0.00 55.97 54.93 3med s LYS 323 Cb 0.20 -1.65 0.08 0.00 -0.52 0.00 0.00 37.83 35.95 3med s LYS 323 CO 0.31 0.38 1.12 -0.51 -0.92 0.00 0.00 175.35 175.73 3med s ASP 324 N -2.07 3.98 -0.18 2.83 -0.00 -1.26 -4.93 116.67 115.04 3med s ASP 324 Ca 0.11 1.99 -0.09 0.00 -0.00 0.00 0.00 52.55 54.56 3med s ASP 324 Cb -0.10 -2.54 -0.05 0.00 -0.00 0.00 0.00 42.92 40.24 3med s ASP 324 CO 0.06 -2.39 0.11 -0.76 -0.00 0.00 0.00 175.17 172.19 3med s LEU 325 N -6.06 4.15 -0.09 1.23 1.02 -1.26 -4.59 118.68 113.08 3med s LEU 325 Ca 0.64 0.24 -0.02 0.00 0.02 0.00 0.00 54.13 55.01 3med s LEU 325 Cb -0.20 -2.05 -0.03 0.00 0.02 0.00 0.00 46.19 43.93 3med s LEU 325 CO 0.55 0.23 -0.00 -0.63 0.02 0.00 0.00 176.35 176.52 3med s ILE 326 N 0.06 4.27 -0.10 -0.59 1.09 -0.10 0.00 121.20 125.83 3med s ILE 326 Ca 0.08 -0.26 0.04 0.00 -1.10 0.00 0.00 60.65 59.41 3med s ILE 326 Cb -0.11 -2.80 0.00 0.00 -1.06 0.00 0.00 42.46 38.49 3med s ILE 326 CO -0.00 0.60 -0.22 0.00 -0.10 0.00 0.00 174.94 175.21 3med s ALA 327 N -0.78 2.02 -0.05 9.38 0.00 -0.13 -1.61 121.76 130.59 3med s ALA 327 Ca 0.12 -0.88 0.05 0.00 0.00 0.00 0.00 51.96 51.25 3med s ALA 327 Cb -0.11 -0.78 -0.02 0.00 0.00 0.00 0.00 23.12 22.20 3med s ALA 327 CO 0.02 0.23 -0.21 -1.21 0.00 0.00 0.00 175.76 174.60 3med s GLU 328 N 0.44 2.53 -0.03 0.00 2.02 -0.56 -0.23 118.70 122.87 3med s GLU 328 Ca -0.17 -0.83 0.07 0.00 0.02 0.00 0.00 54.97 54.06 3med s GLU 328 Cb -0.17 -2.25 -0.02 0.00 0.10 0.00 0.00 34.13 31.79 3med s GLU 328 CO 0.07 0.47 -0.24 0.42 0.02 0.00 0.00 175.26 176.01 3med s ILE 329 N -0.37 1.88 0.13 -1.63 1.01 -1.12 -1.46 121.20 119.64 3med s ILE 329 Ca 0.03 -1.01 0.09 0.00 0.00 0.00 0.00 60.65 59.77 3med s ILE 329 Cb -0.12 -1.57 -0.04 0.00 0.01 0.00 0.00 42.46 40.74 3med s ILE 329 CO 0.02 0.53 -0.23 -1.10 0.00 0.00 0.00 174.94 174.16 3med s GLN 330 N -0.46 1.27 0.35 2.79 1.11 0.09 -4.30 119.66 120.50 3med s GLN 330 Ca 0.06 -1.28 -0.26 0.00 0.01 0.00 0.00 55.36 53.89 3med s GLN 330 Cb -0.10 -1.60 -0.09 0.00 -1.01 0.00 0.00 33.01 30.21 3med s GLN 330 CO 0.00 0.37 1.03 0.21 0.01 0.00 0.00 175.29 176.91 3med s LYS 331 N -2.12 4.39 0.00 2.91 2.36 -1.26 -1.78 119.74 124.24 3med s LYS 331 Ca 0.11 1.53 0.00 0.00 -2.55 0.00 0.00 55.97 55.06 3med s LYS 331 Cb -0.09 -2.77 0.00 0.00 -1.05 0.00 0.00 37.83 33.92 3med s LYS 331 CO 0.06 0.06 0.00 1.04 1.55 0.00 0.00 175.35 178.06 3med n GLN 332 N 0.41 0.73 -1.34 4.03 6.02 0.55 -4.68 117.38 123.09 3med n GLN 332 Ca 0.03 0.00 -0.45 0.00 -0.01 0.00 0.00 57.00 56.56 3med n GLN 332 Cb 0.49 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.72 3med n GLN 332 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3med n GLY 333 N 0.91 -1.95 3.59 1.08 0.00 -1.26 -4.45 105.19 103.11 3med n GLY 333 Ca 0.00 0.25 -0.55 0.00 0.00 0.00 0.00 46.02 45.72 3med n GLY 333 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3med n GLN 334 N 1.06 0.87 -0.32 1.61 1.13 -1.26 0.85 117.38 121.32 3med n GLN 334 Ca 0.16 0.31 0.00 0.00 -1.94 0.00 0.00 57.00 55.53 3med n GLN 334 Cb 0.28 -1.93 0.00 0.00 0.11 0.00 0.00 30.24 28.70 3med n GLN 334 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3med n GLY 335 N 2.58 1.70 3.63 1.08 0.00 -1.26 -5.03 105.19 107.89 3med n GLY 335 Ca 0.20 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.87 3med n GLY 335 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3med s GLN 336 N -0.23 3.99 -0.03 1.61 -0.21 0.25 -3.99 119.66 121.04 3med s GLN 336 Ca 0.00 -0.33 0.05 0.00 0.02 0.00 0.00 55.36 55.10 3med s GLN 336 Cb 0.00 -3.29 -0.01 0.00 1.00 0.00 0.00 33.01 30.71 3med s GLN 336 CO 0.00 0.21 -0.18 -1.58 -2.12 0.00 0.00 175.29 171.62 3med s TRP 337 N 0.56 1.69 0.22 0.91 0.52 0.93 -0.33 118.94 123.43 3med s TRP 337 Ca 0.04 -0.38 0.11 0.00 0.02 0.00 0.00 56.10 55.89 3med s TRP 337 Cb -0.13 -1.10 -0.04 0.00 -1.15 0.00 0.00 33.47 31.04 3med s TRP 337 CO 0.01 -0.08 -0.17 -0.08 0.02 0.00 0.00 176.95 176.65 3med s THR 338 N -0.26 2.70 0.02 2.01 -1.32 -0.74 0.57 115.64 118.63 3med s THR 338 Ca 0.03 -2.02 -0.14 0.00 -1.21 0.00 0.00 61.69 58.35 3med s THR 338 Cb -0.09 -2.36 0.02 0.00 -1.51 0.00 0.00 72.50 68.57 3med s THR 338 CO 0.00 -0.21 0.29 -0.72 -2.21 0.00 0.00 174.62 171.77 3med s TYR 339 N -1.96 -0.12 0.08 9.09 1.13 0.30 -0.73 117.35 125.14 3med s TYR 339 Ca 0.25 0.09 0.07 0.00 -1.41 0.00 0.00 57.07 56.07 3med s TYR 339 Cb -0.07 0.08 -0.03 0.00 -1.10 0.00 0.00 41.96 40.84 3med s TYR 339 CO 0.13 -0.44 -0.19 -0.65 -2.51 0.00 0.00 175.55 171.90 3med s GLN 340 N -1.95 1.07 -0.12 -3.49 1.11 -0.53 -1.08 119.66 114.67 3med s GLN 340 Ca -0.09 -1.06 -0.00 0.00 0.01 0.00 0.00 55.36 54.21 3med s GLN 340 Cb -0.03 -1.24 0.02 0.00 -1.01 0.00 0.00 33.01 30.75 3med s GLN 340 CO 0.00 0.29 -0.10 0.42 0.01 0.00 0.00 175.29 175.92 3med s ILE 341 N -1.13 1.19 0.24 1.08 1.01 0.53 -1.49 121.20 122.63 3med s ILE 341 Ca 0.04 -0.40 0.01 0.00 0.00 0.00 0.00 60.65 60.30 3med s ILE 341 Cb -0.10 -1.17 -0.05 0.00 0.01 0.00 0.00 42.46 41.15 3med s ILE 341 CO 0.03 0.40 0.09 -0.72 0.00 0.00 0.00 174.94 174.74 3med s TYR 342 N 1.60 1.43 -0.02 3.97 -0.85 -0.63 0.15 117.35 122.99 3med s TYR 342 Ca 0.04 -1.20 0.01 0.00 -0.52 0.00 0.00 57.07 55.40 3med s TYR 342 Cb -0.13 -0.81 -0.02 0.00 0.38 0.00 0.00 41.96 41.38 3med s TYR 342 CO -0.08 -0.38 0.00 1.04 -1.52 0.00 0.00 175.55 174.61 3med n GLN 343 N -0.40 3.33 -4.08 -3.49 6.02 -1.26 -0.93 117.38 116.58 3med n GLN 343 Ca -0.00 0.00 -0.32 0.00 -0.01 0.00 0.00 57.00 56.67 3med n GLN 343 Cb 0.66 -1.04 -0.16 0.00 1.02 0.00 0.00 30.24 30.72 3med n GLN 343 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 3med s GLU 344 N -2.04 2.70 0.15 -1.09 2.56 -1.26 -4.90 118.70 114.83 3med s GLU 344 Ca -0.01 -0.74 -0.31 0.00 0.00 0.00 0.00 54.97 53.90 3med s GLU 344 Cb 0.01 -2.40 -0.10 0.00 2.00 0.00 0.00 34.13 33.63 3med s GLU 344 CO 0.06 -0.23 1.60 -1.25 -0.56 0.00 0.00 175.26 174.88 3med s PRO 345 N 1.36 4.20 -0.47 4.30 0.04 -1.26 0.73 135.00 143.90 3med s PRO 345 Ca 0.05 2.38 0.06 0.00 0.04 0.00 0.00 61.00 63.52 3med s PRO 345 Cb -0.13 -3.22 0.40 0.00 0.04 0.00 0.00 34.50 31.59 3med s PRO 345 CO -0.12 -0.64 1.06 1.19 0.04 0.00 0.00 177.00 178.53 3med n PHE 346 N 4.24 3.47 -2.66 0.56 3.01 -1.26 -5.10 117.46 119.72 3med n PHE 346 Ca 0.14 -3.36 -0.42 0.00 1.01 0.00 0.00 57.45 54.83 3med n PHE 346 Cb 0.39 -0.21 -0.03 0.00 -0.01 0.00 0.00 39.48 39.62 3med n PHE 346 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 3med s LYS 347 N -3.49 3.34 0.18 -1.08 1.02 0.22 -4.99 119.74 114.93 3med s LYS 347 Ca 0.47 -0.79 -0.30 0.00 0.02 0.00 0.00 55.97 55.38 3med s LYS 347 Cb 0.37 -4.62 -0.08 0.00 -0.52 0.00 0.00 37.83 32.98 3med s LYS 347 CO -0.17 -2.06 1.25 -0.80 -0.92 0.00 0.00 175.35 172.65 3med s ASN 348 N 4.08 7.01 0.13 2.83 0.01 -1.26 -4.07 114.94 123.66 3med s ASN 348 Ca 0.35 2.28 -0.09 0.00 -0.71 0.00 0.00 52.86 54.69 3med s ASN 348 Cb -0.07 -2.60 -0.08 0.00 0.41 0.00 0.00 41.25 38.91 3med s ASN 348 CO 0.04 -0.45 1.37 -0.07 -1.51 0.00 0.00 177.10 176.48 3med h LEU 349 N 5.48 0.84 -7.38 0.60 4.07 -0.51 -1.32 115.31 117.09 3med h LEU 349 Ca -0.44 -0.52 0.21 0.00 0.08 0.00 0.00 57.88 57.20 3med h LEU 349 Cb 1.21 -0.25 -0.11 0.00 1.08 0.00 0.00 40.66 42.59 3med h LEU 349 CO 0.76 1.30 0.60 -1.59 -1.08 0.00 0.00 178.44 178.44 3med s LYS 350 N -3.83 0.86 0.40 1.13 -2.85 -1.10 -4.10 119.74 110.25 3med s LYS 350 Ca -0.09 -0.44 0.04 0.00 -1.00 0.00 0.00 55.97 54.48 3med s LYS 350 Cb 0.09 0.32 -0.02 0.00 -2.06 0.00 0.00 37.83 36.16 3med s LYS 350 CO 0.89 -0.39 0.15 0.95 0.10 0.00 0.00 175.35 177.05 3med s THR 351 N -2.98 0.50 -0.05 3.79 -4.23 0.16 -0.35 115.64 112.48 3med s THR 351 Ca 0.11 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.62 3med s THR 351 Cb 0.00 -2.35 0.00 0.00 1.34 0.00 0.00 72.50 71.49 3med s THR 351 CO -0.02 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.67 3med n GLY 352 N -0.88 -1.18 3.12 3.99 0.00 -0.24 -4.19 105.19 105.80 3med n GLY 352 Ca -0.04 -0.89 -0.09 0.00 0.00 0.00 0.00 46.02 45.00 3med n GLY 352 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3med s LYS 353 N -0.86 0.78 -0.03 1.61 -2.85 -1.26 -0.54 119.74 116.59 3med s LYS 353 Ca 0.00 -1.34 0.00 0.00 -1.00 0.00 0.00 55.97 53.63 3med s LYS 353 Cb 0.00 0.20 0.03 0.00 -2.06 0.00 0.00 37.83 36.00 3med s LYS 353 CO 0.00 -0.18 0.01 -0.47 0.10 0.00 0.00 175.35 174.81 3med s TYR 354 N -3.97 0.27 -0.34 1.78 5.04 0.19 -4.97 117.35 115.36 3med s TYR 354 Ca 0.16 0.03 0.03 0.00 -2.44 0.00 0.00 57.07 54.85 3med s TYR 354 Cb 0.08 -0.40 0.16 0.00 0.35 0.00 0.00 41.96 42.14 3med s TYR 354 CO -0.04 -0.13 0.43 0.00 -1.34 0.00 0.00 175.55 174.47 3med s ALA 355 N 1.13 -1.09 -0.10 3.97 0.00 -1.26 -0.05 121.76 124.37 3med s ALA 355 Ca -0.08 -0.28 -0.06 0.00 0.00 0.00 0.00 51.96 51.54 3med s ALA 355 Cb -0.13 -2.18 0.04 0.00 0.00 0.00 0.00 23.12 20.84 3med s ALA 355 CO -0.02 -1.99 0.23 0.50 0.00 0.00 0.00 175.76 174.48 3med s ARG 356 N 1.97 0.22 -0.20 0.00 3.52 -1.26 -5.03 118.95 118.18 3med s ARG 356 Ca 0.14 0.45 -0.19 0.00 -0.13 0.00 0.00 55.73 55.99 3med s ARG 356 Cb -0.12 -0.04 -0.03 0.00 -1.56 0.00 0.00 34.95 33.20 3med s ARG 356 CO -0.15 -0.12 0.56 1.41 -0.81 0.00 0.00 175.30 176.19 3med s MET 357 N 0.86 4.20 -0.29 5.12 -2.45 -1.26 -5.03 119.30 120.45 3med s MET 357 Ca -0.06 0.49 -0.09 0.00 -1.25 0.00 0.00 55.69 54.78 3med s MET 357 Cb -0.07 -3.57 -0.02 0.00 1.25 0.00 0.00 34.83 32.42 3med s MET 357 CO -0.05 -0.18 0.13 1.03 1.05 0.00 0.00 175.02 177.00 3med s ARG 358 N 1.72 3.55 0.68 4.11 0.52 -1.26 -4.94 118.95 123.34 3med s ARG 358 Ca 0.26 -0.57 0.00 0.00 -0.52 0.00 0.00 55.73 54.90 3med s ARG 358 Cb -0.16 -3.51 0.00 0.00 0.52 0.00 0.00 34.95 31.81 3med s ARG 358 CO 0.10 -0.30 0.00 0.41 0.02 0.00 0.00 175.30 175.53 3med n GLY 359 N 4.98 -2.17 0.08 -3.53 0.00 -1.26 -4.51 105.19 98.79 3med n GLY 359 Ca -0.15 -1.50 -0.09 0.00 0.00 0.00 0.00 46.02 44.28 3med n GLY 359 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3med h ALA 360 N 0.00 0.69 -3.30 4.61 0.00 -1.97 -3.46 119.26 115.83 3med h ALA 360 Ca 0.00 -1.39 -0.63 0.00 0.00 0.00 0.00 54.91 52.89 3med h ALA 360 Cb 0.00 0.43 -0.36 0.00 0.00 0.00 0.00 17.79 17.85 3med h ALA 360 CO 0.00 1.52 -0.83 -1.01 0.00 0.00 0.00 179.25 178.94 3med s HIS 361 N -2.61 2.46 0.27 0.00 3.76 -1.26 -3.26 115.29 114.65 3med s HIS 361 Ca -0.05 -1.54 0.04 0.00 -0.15 0.00 0.00 55.06 53.36 3med s HIS 361 Cb 0.08 -1.70 -0.06 0.00 1.11 0.00 0.00 32.58 32.02 3med s HIS 361 CO 0.82 -0.74 0.01 0.95 -0.85 0.00 0.00 174.74 174.93 3med s THR 362 N 1.38 1.21 0.42 1.30 -4.23 -1.22 -4.95 115.64 109.55 3med s THR 362 Ca 0.01 -2.04 0.06 0.00 -1.18 0.00 0.00 61.69 58.54 3med s THR 362 Cb -0.15 -2.52 -0.07 0.00 1.34 0.00 0.00 72.50 71.10 3med s THR 362 CO -0.10 -0.21 0.01 0.54 -0.54 0.00 0.00 174.62 174.33 3med s ASN 363 N -3.39 3.85 0.35 3.99 2.20 -1.26 -1.66 114.94 119.02 3med s ASN 363 Ca 0.32 -1.41 0.05 0.00 -0.94 0.00 0.00 52.86 50.87 3med s ASN 363 Cb 0.06 -0.26 0.70 0.00 -2.00 0.00 0.00 41.25 39.76 3med s ASN 363 CO 0.12 -0.51 1.96 0.44 -2.94 0.00 0.00 177.10 176.16 3med h ASP 364 N 1.72 0.71 -0.24 3.54 3.32 -1.94 -2.04 116.42 121.49 3med h ASP 364 Ca -0.44 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.52 3med h ASP 364 Cb 1.25 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 40.63 3med h ASP 364 CO 0.80 0.46 -0.14 0.58 -1.72 0.00 0.00 179.24 179.22 3med h VAL 365 N 0.81 1.25 -0.39 -1.35 2.07 -1.95 -0.25 116.25 116.43 3med h VAL 365 Ca 0.32 -1.15 -0.12 0.00 0.82 0.00 0.00 66.70 66.57 3med h VAL 365 Cb 0.22 1.12 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 3med h VAL 365 CO -0.10 0.38 -0.22 0.11 0.02 0.00 0.00 177.57 177.76 3med h LYS 366 N 0.60 0.85 -0.40 1.57 1.57 -1.86 -2.68 116.57 116.22 3med h LYS 366 Ca 0.10 -0.38 -0.06 0.00 -1.87 0.00 0.00 60.65 58.43 3med h LYS 366 Cb 0.58 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.86 3med h LYS 366 CO 0.04 1.02 -0.01 1.96 -0.57 0.00 0.00 179.45 181.89 3med h GLN 367 N 0.66 0.70 -0.70 3.15 4.20 -1.05 -2.01 115.11 120.06 3med h GLN 367 Ca 0.08 -0.23 -0.00 0.00 0.06 0.00 0.00 58.65 58.56 3med h GLN 367 Cb 0.78 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.47 3med h GLN 367 CO 0.06 0.80 0.42 1.25 -0.67 0.00 0.00 178.83 180.69 3med h LEU 368 N 0.53 0.84 -0.68 1.46 5.85 -1.08 -1.31 115.31 120.91 3med h LEU 368 Ca 0.11 -0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.75 3med h LEU 368 Cb 0.48 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.27 3med h LEU 368 CO 0.02 0.65 0.33 0.74 -0.34 0.00 0.00 178.44 179.84 3med h THR 369 N 0.95 1.23 -0.71 1.05 2.02 -1.31 0.60 112.91 116.74 3med h THR 369 Ca 0.25 -0.65 -0.01 0.00 0.77 0.00 0.00 66.41 66.77 3med h THR 369 Cb -0.03 0.40 -0.03 0.00 -1.74 0.00 0.00 68.15 66.74 3med h THR 369 CO -0.05 0.27 0.40 -0.33 0.37 0.00 0.00 175.52 176.18 3med h GLU 370 N 0.95 0.98 -0.43 6.66 5.08 -0.87 0.17 114.58 127.12 3med h GLU 370 Ca 0.23 -0.10 -0.10 0.00 -1.00 0.00 0.00 59.36 58.39 3med h GLU 370 Cb 0.12 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 3med h GLU 370 CO -0.03 0.71 -0.12 0.00 -1.00 0.00 0.00 179.01 178.58 3med h ALA 371 N 1.45 0.60 -0.68 3.43 0.00 -0.59 0.90 119.26 124.36 3med h ALA 371 Ca 0.25 -0.33 0.02 0.00 0.00 0.00 0.00 54.91 54.85 3med h ALA 371 Cb 0.01 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 3med h ALA 371 CO -0.04 0.49 0.43 0.28 0.00 0.00 0.00 179.25 180.41 3med h VAL 372 N 0.67 1.11 -0.04 0.00 2.07 -0.36 0.22 116.25 119.92 3med h VAL 372 Ca 0.11 -0.29 -0.00 0.00 0.82 0.00 0.00 66.70 67.33 3med h VAL 372 Cb 0.66 0.18 -0.00 0.00 -1.52 0.00 0.00 31.29 30.60 3med h VAL 372 CO 0.05 0.16 0.01 1.56 0.02 0.00 0.00 177.57 179.36 3med h GLN 373 N 0.86 0.06 -0.55 1.57 7.50 -0.72 -0.22 115.11 123.61 3med h GLN 373 Ca 0.27 -0.01 0.07 0.00 0.50 0.00 0.00 58.65 59.47 3med h GLN 373 Cb -0.01 -0.01 -0.06 0.00 0.05 0.00 0.00 27.48 27.45 3med h GLN 373 CO -0.09 0.28 0.22 -0.22 -1.50 0.00 0.00 178.83 177.52 3med h LYS 374 N -0.18 0.41 -0.31 1.46 3.64 -0.71 -2.21 116.57 118.67 3med h LYS 374 Ca 0.01 -0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.30 3med h LYS 374 Cb 0.25 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.97 3med h LYS 374 CO 0.00 0.27 -0.09 0.82 -2.27 0.00 0.00 179.45 178.18 3med h ILE 375 N 0.42 1.22 -0.35 2.00 2.04 -0.80 -2.54 117.51 119.51 3med h ILE 375 Ca 0.26 -0.97 -0.04 0.00 1.00 0.00 0.00 64.86 65.11 3med h ILE 375 Cb 0.27 1.09 -0.01 0.00 -0.74 0.00 0.00 36.82 37.43 3med h ILE 375 CO -0.24 0.32 0.05 0.74 0.00 0.00 0.00 178.15 179.02 3med h THR 376 N 0.48 1.24 -0.81 -0.27 2.02 -0.60 -1.69 112.91 113.29 3med h THR 376 Ca 0.09 -0.85 -0.00 0.00 0.77 0.00 0.00 66.41 66.42 3med h THR 376 Cb 0.46 1.12 -0.04 0.00 -1.74 0.00 0.00 68.15 67.95 3med h THR 376 CO 0.03 0.28 0.49 0.74 0.37 0.00 0.00 175.52 177.43 3med h THR 377 N 0.42 1.23 -0.88 3.16 2.02 -1.26 -2.01 112.91 115.58 3med h THR 377 Ca 0.11 -0.49 -0.00 0.00 0.77 0.00 0.00 66.41 66.79 3med h THR 377 Cb 0.37 0.09 -0.04 0.00 -1.74 0.00 0.00 68.15 66.83 3med h THR 377 CO 0.01 0.23 0.54 -0.08 0.37 0.00 0.00 175.52 176.60 3med h GLU 378 N 1.11 1.19 -0.61 6.66 4.81 -1.30 -2.09 114.58 124.35 3med h GLU 378 Ca 0.29 -0.10 -0.10 0.00 -0.13 0.00 0.00 59.36 59.32 3med h GLU 378 Cb -0.05 -0.25 -0.02 0.00 0.63 0.00 0.00 28.75 29.06 3med h GLU 378 CO -0.05 0.82 -0.00 0.77 -0.73 0.00 0.00 179.01 179.81 3med h SER 379 N 1.21 1.06 -0.65 1.04 0.02 -0.79 -0.56 113.55 114.87 3med h SER 379 Ca 0.32 -0.31 -0.03 0.00 -0.84 0.00 0.00 61.79 60.93 3med h SER 379 Cb -0.07 -0.29 -0.03 0.00 0.14 0.00 0.00 62.40 62.15 3med h SER 379 CO -0.06 1.11 0.29 0.40 -1.14 0.00 0.00 176.83 177.43 3med h ILE 380 N 0.99 1.23 -0.22 3.27 2.04 -1.10 0.94 117.51 124.66 3med h ILE 380 Ca 0.17 -0.68 -0.02 0.00 1.00 0.00 0.00 64.86 65.34 3med h ILE 380 Cb 0.57 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 37.10 3med h ILE 380 CO 0.03 0.27 0.07 0.58 0.00 0.00 0.00 178.15 179.10 3med h VAL 381 N 0.91 1.19 0.18 1.67 2.07 -1.13 0.15 116.25 121.29 3med h VAL 381 Ca 0.22 -0.60 -0.26 0.00 0.82 0.00 0.00 66.70 66.88 3med h VAL 381 Cb 0.15 1.18 0.03 0.00 -1.52 0.00 0.00 31.29 31.13 3med h VAL 381 CO -0.02 0.19 -1.13 0.40 0.02 0.00 0.00 177.57 177.02 3med h ILE 382 N 0.18 1.38 0.00 4.57 2.04 -0.84 -3.40 117.51 121.44 3med h ILE 382 Ca 0.07 -2.57 0.00 0.00 1.00 0.00 0.00 64.86 63.36 3med h ILE 382 Cb 0.23 3.04 0.00 0.00 -0.74 0.00 0.00 36.82 39.35 3med h ILE 382 CO -0.00 0.75 -0.74 0.79 0.00 0.00 0.00 178.15 178.95 3med n TRP 383 N -3.92 0.00 -0.99 1.37 8.01 0.32 -4.68 117.44 117.54 3med n TRP 383 Ca -0.15 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.04 3med n TRP 383 Cb 0.95 -0.06 0.00 0.00 -2.01 0.00 0.00 31.31 30.19 3med n TRP 383 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3med n GLY 384 N 1.68 0.81 3.18 6.99 0.00 0.51 -4.97 105.19 113.40 3med n GLY 384 Ca -0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 3med n GLY 384 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3med s LYS 385 N -0.03 0.99 0.19 1.61 -2.85 -1.26 -4.91 119.74 113.48 3med s LYS 385 Ca 0.00 -1.42 -0.10 0.00 -1.00 0.00 0.00 55.97 53.45 3med s LYS 385 Cb 0.00 0.26 -0.07 0.00 -2.06 0.00 0.00 37.83 35.97 3med s LYS 385 CO 0.00 -0.30 0.51 -0.08 0.10 0.00 0.00 175.35 175.58 3med s THR 386 N -4.05 4.97 0.38 3.79 -1.32 -1.26 -3.53 115.64 114.62 3med s THR 386 Ca 0.25 0.47 -0.13 0.00 -1.21 0.00 0.00 61.69 61.06 3med s THR 386 Cb 0.07 -3.64 -0.08 0.00 -1.51 0.00 0.00 72.50 67.34 3med s THR 386 CO 0.03 0.03 0.77 -2.16 -2.21 0.00 0.00 174.62 171.08 3med s PRO 387 N -2.57 3.89 -0.09 7.08 0.04 -1.26 -4.75 135.00 137.34 3med s PRO 387 Ca 0.44 0.60 -0.30 0.00 0.04 0.00 0.00 61.00 61.77 3med s PRO 387 Cb -0.12 -2.39 -0.02 0.00 0.04 0.00 0.00 34.50 32.01 3med s PRO 387 CO 0.21 0.03 1.11 0.15 0.04 0.00 0.00 177.00 178.54 3med s LYS 388 N -3.48 4.38 0.16 4.56 3.01 0.10 -4.80 119.74 123.67 3med s LYS 388 Ca 0.53 1.54 -0.05 0.00 -1.01 0.00 0.00 55.97 56.98 3med s LYS 388 Cb -0.10 -3.56 -0.06 0.00 -1.01 0.00 0.00 37.83 33.10 3med s LYS 388 CO 0.25 -0.40 0.41 -0.06 0.51 0.00 0.00 175.35 176.06 3med s PHE 389 N 2.18 3.47 -0.11 3.18 0.40 -0.93 -0.96 117.98 125.21 3med s PHE 389 Ca 0.52 0.60 0.01 0.00 -0.60 0.00 0.00 56.93 57.46 3med s PHE 389 Cb -0.21 -2.04 0.02 0.00 0.51 0.00 0.00 43.02 41.29 3med s PHE 389 CO 0.19 0.39 -0.14 0.15 0.70 0.00 0.00 175.22 176.52 3med s LYS 390 N -2.75 2.07 -0.01 0.44 1.02 0.68 -1.61 119.74 119.57 3med s LYS 390 Ca 0.42 -0.50 0.02 0.00 0.02 0.00 0.00 55.97 55.93 3med s LYS 390 Cb -0.12 -1.81 -0.00 0.00 -0.52 0.00 0.00 37.83 35.38 3med s LYS 390 CO 0.25 -0.10 -0.08 -0.51 -0.92 0.00 0.00 175.35 173.99 3med s LEU 391 N 1.09 1.93 -0.29 3.17 1.43 -0.35 -2.79 118.68 122.86 3med s LEU 391 Ca -0.05 -0.15 -0.06 0.00 -1.03 0.00 0.00 54.13 52.84 3med s LEU 391 Cb -0.14 -0.42 -0.22 0.00 0.03 0.00 0.00 46.19 45.43 3med s LEU 391 CO -0.03 0.08 3.35 -0.81 0.23 0.00 0.00 176.35 179.17 3med n PRO 392 N 3.04 2.19 -3.78 1.29 -0.04 -1.25 -1.44 135.00 135.01 3med n PRO 392 Ca -0.15 -1.16 -0.13 0.00 -0.04 0.00 0.00 63.50 62.02 3med n PRO 392 Cb 0.56 -2.12 -0.12 0.00 -0.04 0.00 0.00 33.50 31.78 3med n PRO 392 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 3med s ILE 393 N 1.34 -0.01 0.44 0.52 2.07 -1.26 -1.04 121.20 123.25 3med s ILE 393 Ca 0.64 0.04 -0.24 0.00 -1.41 0.00 0.00 60.65 59.69 3med s ILE 393 Cb 0.28 -0.33 -0.08 0.00 0.13 0.00 0.00 42.46 42.46 3med s ILE 393 CO -0.01 0.02 1.16 -1.10 -1.91 0.00 0.00 174.94 173.10 3med s GLN 394 N 0.44 3.85 0.39 3.50 -1.52 -1.26 -4.53 119.66 120.53 3med s GLN 394 Ca -0.03 1.78 0.10 0.00 -1.95 0.00 0.00 55.36 55.27 3med s GLN 394 Cb -0.04 -2.49 0.88 0.00 -0.22 0.00 0.00 33.01 31.15 3med s GLN 394 CO -0.02 -0.47 1.92 0.87 -0.25 0.00 0.00 175.29 177.34 3med h LYS 395 N 2.22 0.58 -0.16 2.91 1.79 -1.98 -1.51 116.57 120.43 3med h LYS 395 Ca -0.49 -0.04 -0.13 0.00 -2.18 0.00 0.00 60.65 57.81 3med h LYS 395 Cb 1.24 -0.13 -0.01 0.00 -1.58 0.00 0.00 32.23 31.75 3med h LYS 395 CO 0.61 0.39 -0.48 1.49 -1.08 0.00 0.00 179.45 180.38 3med h GLU 396 N 0.60 0.41 -0.24 3.15 4.81 -1.99 -1.35 114.58 119.97 3med h GLU 396 Ca 0.37 -0.23 -0.02 0.00 -0.13 0.00 0.00 59.36 59.35 3med h GLU 396 Cb 0.59 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.98 3med h GLU 396 CO -0.14 0.80 0.07 1.15 -0.73 0.00 0.00 179.01 180.17 3med h THR 397 N 0.33 1.20 -0.42 0.32 2.02 -1.66 -2.06 112.91 112.63 3med h THR 397 Ca 0.02 -0.63 -0.10 0.00 0.77 0.00 0.00 66.41 66.47 3med h THR 397 Cb 0.96 1.15 -0.02 0.00 -1.74 0.00 0.00 68.15 68.51 3med h THR 397 CO 0.08 0.20 -0.14 -0.25 0.37 0.00 0.00 175.52 175.79 3med h TRP 398 N 0.22 0.84 -0.32 3.16 2.91 -1.30 -2.49 115.95 118.98 3med h TRP 398 Ca 0.08 -0.16 -0.14 0.00 1.13 0.00 0.00 58.89 59.80 3med h TRP 398 Cb 0.24 -0.21 -0.01 0.00 -0.51 0.00 0.00 29.16 28.67 3med h TRP 398 CO 0.00 0.85 -0.36 1.49 -1.03 0.00 0.00 178.44 179.40 3med h GLU 399 N 0.68 0.73 -0.55 2.65 4.81 -1.15 -1.33 114.58 120.42 3med h GLU 399 Ca 0.11 -0.36 -0.10 0.00 -0.13 0.00 0.00 59.36 58.88 3med h GLU 399 Cb 0.62 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.98 3med h GLU 399 CO 0.04 0.97 -0.06 1.15 -0.73 0.00 0.00 179.01 180.39 3med h THR 400 N 0.60 1.26 -0.10 0.32 2.02 -1.24 -3.18 112.91 112.60 3med h THR 400 Ca 0.06 -1.19 -0.06 0.00 0.77 0.00 0.00 66.41 65.99 3med h THR 400 Cb 0.89 0.90 -0.00 0.00 -1.74 0.00 0.00 68.15 68.20 3med h THR 400 CO 0.08 0.42 -0.15 -0.25 0.37 0.00 0.00 175.52 175.99 3med h TRP 401 N 0.90 0.34 -0.56 3.16 2.91 -1.24 -2.36 115.95 119.10 3med h TRP 401 Ca 0.15 -0.12 0.11 0.00 1.13 0.00 0.00 58.89 60.16 3med h TRP 401 Cb 0.60 -0.07 -0.09 0.00 -0.51 0.00 0.00 29.16 29.10 3med h TRP 401 CO 0.04 0.75 0.03 2.35 -1.03 0.00 0.00 178.44 180.58 3med h TRP 402 N -0.16 0.02 -0.06 2.65 7.01 -1.28 -0.11 115.95 124.02 3med h TRP 402 Ca 0.01 0.04 -0.03 0.00 2.11 0.00 0.00 58.89 61.02 3med h TRP 402 Cb 0.72 0.07 -0.00 0.00 -2.10 0.00 0.00 29.16 27.85 3med h TRP 402 CO 0.10 -0.11 -0.07 1.79 -2.79 0.00 0.00 178.44 177.36 3med h THR 403 N 0.15 1.39 -0.91 2.65 1.35 -1.63 -3.19 112.91 112.73 3med h THR 403 Ca 0.29 -1.28 0.21 0.00 -0.55 0.00 0.00 66.41 65.08 3med h THR 403 Cb 0.44 2.11 -0.12 0.00 -1.73 0.00 0.00 68.15 68.86 3med h THR 403 CO -0.44 0.35 0.44 -0.08 -0.25 0.00 0.00 175.52 175.54 3med h GLU 404 N -0.31 0.46 -6.81 4.72 4.22 -0.92 -3.42 114.58 112.52 3med h GLU 404 Ca 0.01 -0.03 -0.48 0.00 0.08 0.00 0.00 59.36 58.94 3med h GLU 404 Cb 0.60 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 3med h GLU 404 CO 0.02 0.30 0.32 -0.47 -2.18 0.00 0.00 179.01 177.00 3med s TYR 405 N -5.88 3.77 -0.68 0.92 5.04 -0.10 -4.96 117.35 115.47 3med s TYR 405 Ca -0.11 1.78 0.25 0.00 -2.44 0.00 0.00 57.07 56.55 3med s TYR 405 Cb 0.25 -2.91 0.62 0.00 0.35 0.00 0.00 41.96 40.27 3med s TYR 405 CO 0.78 0.30 1.61 0.11 -1.34 0.00 0.00 175.55 177.01 3med h TRP 406 N 3.49 0.00 -4.02 4.97 5.08 -1.85 -3.46 115.95 120.16 3med h TRP 406 Ca -0.46 0.00 -0.45 0.00 1.08 0.00 0.00 58.89 59.05 3med h TRP 406 Cb 1.19 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.34 3med h TRP 406 CO 0.62 0.00 0.35 -1.14 -1.28 0.00 0.00 178.44 176.99 3med s GLN 407 N -3.13 4.25 0.42 0.12 2.00 -1.26 -5.04 119.66 117.02 3med s GLN 407 Ca 0.09 1.21 -0.22 0.00 -2.00 0.00 0.00 55.36 54.44 3med s GLN 407 Cb 0.12 -2.31 -0.11 0.00 0.80 0.00 0.00 33.01 31.51 3med s GLN 407 CO 0.64 -0.02 0.96 0.00 -0.50 0.00 0.00 175.29 176.38 3med s ALA 408 N -2.02 3.05 0.23 1.58 0.00 -1.26 -5.01 121.76 118.33 3med s ALA 408 Ca 0.60 0.45 -0.22 0.00 0.00 0.00 0.00 51.96 52.79 3med s ALA 408 Cb -0.12 -3.17 0.04 0.00 0.00 0.00 0.00 23.12 19.87 3med s ALA 408 CO 0.17 0.09 0.73 -0.08 0.00 0.00 0.00 175.76 176.67 3med s THR 409 N -2.06 0.00 -0.29 0.00 -1.32 -1.26 -5.17 115.64 105.54 3med s THR 409 Ca 0.60 -0.71 -0.16 0.00 -1.21 0.00 0.00 61.69 60.22 3med s THR 409 Cb -0.12 -1.75 0.15 0.00 -1.51 0.00 0.00 72.50 69.28 3med s THR 409 CO 0.16 0.00 0.99 0.86 -2.21 0.00 0.00 174.62 174.42 3med s TRP 410 N -3.77 -0.58 0.02 9.09 -0.11 -1.26 -5.14 118.94 117.18 3med s TRP 410 Ca 0.09 1.11 0.08 0.00 1.22 0.00 0.00 56.10 58.60 3med s TRP 410 Cb -0.04 0.35 -0.03 0.00 -1.50 0.00 0.00 33.47 32.25 3med s TRP 410 CO 0.02 -0.29 -0.24 0.96 -4.62 0.00 0.00 176.95 172.78 3med s ILE 411 N 1.68 2.31 0.59 5.86 -4.36 -1.26 -5.01 121.20 121.01 3med s ILE 411 Ca -0.07 -1.21 -0.09 0.00 -0.26 0.00 0.00 60.65 59.03 3med s ILE 411 Cb -0.04 -1.88 0.14 0.00 1.25 0.00 0.00 42.46 41.92 3med s ILE 411 CO -0.15 0.45 0.31 -2.65 0.24 0.00 0.00 174.94 173.13 3med n PRO 412 N 1.99 -1.98 -1.65 0.37 -0.02 -1.26 -4.80 135.00 127.64 3med n PRO 412 Ca -0.17 -0.52 -0.51 0.00 -2.02 0.00 0.00 63.50 60.28 3med n PRO 412 Cb 0.52 -0.81 -0.06 0.00 -0.02 0.00 0.00 33.50 33.13 3med n PRO 412 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 3med n GLU 413 N -2.46 1.58 -3.71 -0.52 2.13 -1.26 -4.92 120.64 111.48 3med n GLU 413 Ca 0.05 0.57 -0.11 0.00 0.66 0.00 0.00 57.16 58.33 3med n GLU 413 Cb 0.21 -2.29 -0.06 0.00 0.27 0.00 0.00 31.44 29.57 3med n GLU 413 CO 0.00 0.00 0.00 1.67 -0.41 0.00 0.00 177.13 178.39 3med s TRP 414 N 1.91 -0.12 0.16 4.31 1.48 -1.26 -2.19 118.94 123.22 3med s TRP 414 Ca 0.88 -0.12 0.02 0.00 -1.06 0.00 0.00 56.10 55.81 3med s TRP 414 Cb -0.87 0.15 -0.05 0.00 -1.16 0.00 0.00 33.47 31.55 3med s TRP 414 CO 0.50 -0.60 -0.01 -1.83 -4.06 0.00 0.00 176.95 170.95 3med s GLU 415 N -3.25 1.08 0.32 3.25 -1.05 -0.63 -4.97 118.70 113.45 3med s GLU 415 Ca -0.00 -1.51 -0.27 0.00 -0.15 0.00 0.00 54.97 53.03 3med s GLU 415 Cb 0.01 -0.26 -0.09 0.00 -0.44 0.00 0.00 34.13 33.35 3med s GLU 415 CO -0.08 -0.12 1.08 0.12 0.95 0.00 0.00 175.26 177.22 3med s PHE 416 N -3.66 3.46 -0.02 4.83 5.36 -1.26 -1.21 117.98 125.48 3med s PHE 416 Ca 0.23 1.68 0.01 0.00 -0.96 0.00 0.00 56.93 57.88 3med s PHE 416 Cb 0.06 -3.23 0.01 0.00 -0.34 0.00 0.00 43.02 39.52 3med s PHE 416 CO 0.03 -0.59 -0.02 0.54 -1.46 0.00 0.00 175.22 173.71 3med s VAL 417 N -1.34 0.29 -1.20 3.12 0.11 -0.52 -4.77 120.40 116.09 3med s VAL 417 Ca 0.49 -0.05 -0.13 0.00 -2.93 0.00 0.00 61.98 59.36 3med s VAL 417 Cb -0.29 -0.32 0.19 0.00 -1.53 0.00 0.00 36.38 34.44 3med s VAL 417 CO 0.36 0.13 1.40 -3.20 -3.33 0.00 0.00 175.10 170.46 3med n ASN 418 N 3.65 5.28 -3.91 3.54 2.85 -1.26 -3.94 115.26 121.47 3med n ASN 418 Ca -0.21 -2.99 -0.30 0.00 -0.11 0.00 0.00 54.58 50.97 3med n ASN 418 Cb 0.54 -1.54 -0.14 0.00 1.24 0.00 0.00 39.78 39.88 3med n ASN 418 CO 0.00 0.00 0.00 -0.89 -2.11 0.00 0.00 177.26 174.26 3med s THR 419 N 1.07 2.33 0.90 -0.44 2.01 -1.26 -5.10 115.64 115.14 3med s THR 419 Ca 0.41 -3.10 -0.10 0.00 0.31 0.00 0.00 61.69 59.21 3med s THR 419 Cb -0.04 -2.63 0.14 0.00 0.01 0.00 0.00 72.50 69.98 3med s THR 419 CO -0.01 -0.80 1.14 -2.84 -0.69 0.00 0.00 174.62 171.42 3med s PRO 420 N -0.07 1.13 0.02 4.92 0.02 -1.26 -4.22 135.00 135.53 3med s PRO 420 Ca 0.17 1.53 -0.30 0.00 0.02 0.00 0.00 61.00 62.41 3med s PRO 420 Cb -0.25 -1.74 -0.06 0.00 0.02 0.00 0.00 34.50 32.47 3med s PRO 420 CO -0.01 -2.55 1.33 -1.25 -0.33 0.00 0.00 177.00 174.20 3med s PRO 421 N -4.66 4.33 0.42 5.54 0.04 -1.26 -4.86 135.00 134.54 3med s PRO 421 Ca 0.67 1.90 -0.25 0.00 0.04 0.00 0.00 61.00 63.36 3med s PRO 421 Cb -0.22 -3.48 -0.08 0.00 0.04 0.00 0.00 34.50 30.76 3med s PRO 421 CO 0.58 -0.48 1.25 -0.51 0.04 0.00 0.00 177.00 177.88 3med s LEU 422 N 1.93 4.17 0.09 -3.56 1.43 -1.26 -4.58 118.68 116.90 3med s LEU 422 Ca 0.62 2.54 -0.23 0.00 -1.03 0.00 0.00 54.13 56.02 3med s LEU 422 Cb -0.31 -3.99 -0.07 0.00 0.03 0.00 0.00 46.19 41.85 3med s LEU 422 CO 0.27 -0.85 0.71 0.68 0.23 0.00 0.00 176.35 177.38 3med s VAL 423 N -1.33 4.61 0.33 -1.59 -7.23 -0.21 -5.04 120.40 109.94 3med s VAL 423 Ca 0.58 1.53 -0.10 0.00 -1.81 0.00 0.00 61.98 62.18 3med s VAL 423 Cb -0.35 -4.06 0.02 0.00 0.56 0.00 0.00 36.38 32.55 3med s VAL 423 CO 0.45 0.47 0.60 -1.59 -0.31 0.00 0.00 175.10 174.71 3med s LYS 424 N -0.71 1.93 -0.12 4.82 -2.85 -1.26 -4.58 119.74 116.97 3med s LYS 424 Ca 0.35 -1.49 -0.13 0.00 -1.00 0.00 0.00 55.97 53.69 3med s LYS 424 Cb -0.21 0.52 -0.05 0.00 -2.06 0.00 0.00 37.83 36.03 3med s LYS 424 CO 0.23 -0.85 0.31 -0.51 0.10 0.00 0.00 175.35 174.63 3med s LEU 425 N -3.11 4.30 0.12 2.77 1.43 -1.26 -4.70 118.68 118.23 3med s LEU 425 Ca 0.22 0.60 0.23 0.00 -1.03 0.00 0.00 54.13 54.15 3med s LEU 425 Cb -0.02 -2.40 -0.01 0.00 0.03 0.00 0.00 46.19 43.79 3med s LEU 425 CO 0.14 0.17 0.98 0.79 0.23 0.00 0.00 176.35 178.65 3med n TRP 426 N 3.09 0.61 -3.93 0.29 7.02 -1.26 -4.93 117.44 118.32 3med n TRP 426 Ca -0.13 0.18 -0.09 0.00 -1.02 0.00 0.00 57.50 56.44 3med n TRP 426 Cb 0.52 -0.74 -0.05 0.00 -2.42 0.00 0.00 31.31 28.63 3med n TRP 426 CO 0.00 0.00 0.00 1.52 -2.02 0.00 0.00 177.69 177.19 3med s TYR 427 N -3.33 0.19 -0.01 -5.99 1.13 -1.26 -4.73 117.35 103.35 3med s TYR 427 Ca -0.00 -0.57 0.01 0.00 -1.41 0.00 0.00 57.07 55.10 3med s TYR 427 Cb 0.12 0.30 -0.00 0.00 -1.10 0.00 0.00 41.96 41.28 3med s TYR 427 CO 0.81 -1.01 -0.04 -0.65 -2.51 0.00 0.00 175.55 172.14 3med s GLN 428 N -3.98 0.39 0.42 -3.49 -0.21 -1.26 -5.08 119.66 106.46 3med s GLN 428 Ca 0.18 -0.15 -0.20 0.00 0.02 0.00 0.00 55.36 55.21 3med s GLN 428 Cb -0.01 -0.39 -0.11 0.00 1.00 0.00 0.00 33.01 33.50 3med s GLN 428 CO 0.06 0.08 0.93 -0.51 -2.12 0.00 0.00 175.29 173.73 3med s LEU 429 N 0.00 3.94 0.48 2.90 1.43 -1.26 -4.63 118.68 121.53 3med s LEU 429 Ca 0.00 1.65 -0.22 0.00 -1.03 0.00 0.00 54.13 54.53 3med s LEU 429 Cb -0.03 -4.50 -0.07 0.00 0.03 0.00 0.00 46.19 41.62 3med s LEU 429 CO -0.00 -0.36 1.19 -1.61 0.23 0.00 0.00 176.35 175.80 3med s GLU 430 N -3.20 3.64 0.05 1.70 0.41 0.34 -4.94 118.70 116.69 3med s GLU 430 Ca 0.61 1.83 -0.04 0.00 -0.41 0.00 0.00 54.97 56.96 3med s GLU 430 Cb -0.09 -2.36 -0.28 0.00 -1.78 0.00 0.00 34.13 29.62 3med s GLU 430 CO 0.14 -0.67 1.04 0.87 -0.49 0.00 0.00 175.26 176.16 3med h LYS 431 N 1.90 0.27 -6.64 1.61 1.57 -1.96 -3.44 116.57 109.88 3med h LYS 431 Ca -0.50 -0.46 -0.66 0.00 -1.87 0.00 0.00 60.65 57.17 3med h LYS 431 Cb 1.26 0.17 -0.18 0.00 0.08 0.00 0.00 32.23 33.55 3med h LYS 431 CO 0.60 1.18 -0.81 -1.21 -0.57 0.00 0.00 179.45 178.64 3med s GLU 432 N -2.64 1.61 0.75 3.15 8.01 -1.26 -5.10 118.70 123.22 3med s GLU 432 Ca -0.06 -1.43 -0.15 0.00 0.01 0.00 0.00 54.97 53.35 3med s GLU 432 Cb 0.07 -1.93 0.05 0.00 -4.31 0.00 0.00 34.13 28.01 3med s GLU 432 CO 0.88 0.42 1.21 -1.25 0.01 0.00 0.00 175.26 176.53 3med s PRO 433 N -2.55 1.99 -0.20 0.39 0.04 -1.26 -4.85 135.00 128.56 3med s PRO 433 Ca 0.20 1.78 -0.10 0.00 0.04 0.00 0.00 61.00 62.92 3med s PRO 433 Cb -0.09 -1.81 -0.05 0.00 0.04 0.00 0.00 34.50 32.59 3med s PRO 433 CO 0.10 -1.95 0.13 0.42 0.04 0.00 0.00 177.00 175.74 3med s ILE 434 N -2.00 5.39 0.30 0.56 1.01 -1.26 -5.07 121.20 120.12 3med s ILE 434 Ca 0.74 0.18 -0.28 0.00 0.00 0.00 0.00 60.65 61.30 3med s ILE 434 Cb -0.29 -3.46 -0.09 0.00 0.01 0.00 0.00 42.46 38.62 3med s ILE 434 CO 0.47 0.44 1.06 -0.69 0.00 0.00 0.00 174.94 176.22 3med s VAL 435 N 0.36 3.62 0.00 2.92 1.01 -1.26 -3.59 120.40 123.46 3med s VAL 435 Ca 0.08 1.54 0.00 0.00 0.00 0.00 0.00 61.98 63.60 3med s VAL 435 Cb -0.11 -3.95 0.00 0.00 0.00 0.00 0.00 36.38 32.32 3med s VAL 435 CO -0.02 0.30 0.00 0.61 0.00 0.00 0.00 175.10 175.99 3med n GLY 436 N 1.04 0.32 3.70 4.51 0.00 -1.26 -4.98 105.19 108.52 3med n GLY 436 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 3med n GLY 436 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3med s ALA 437 N -1.68 3.41 0.33 4.61 0.00 -1.24 -5.04 121.76 122.15 3med s ALA 437 Ca 0.00 -0.76 -0.29 0.00 0.00 0.00 0.00 51.96 50.91 3med s ALA 437 Cb 0.00 -1.67 -0.12 0.00 0.00 0.00 0.00 23.12 21.33 3med s ALA 437 CO 0.00 0.49 1.41 -1.91 0.00 0.00 0.00 175.76 175.75 3med n GLU 438 N 2.47 2.37 -3.39 0.00 2.13 -1.26 -4.58 120.64 118.38 3med n GLU 438 Ca -0.18 0.83 -0.43 0.00 0.66 0.00 0.00 57.16 58.04 3med n GLU 438 Cb 0.54 -2.50 -0.09 0.00 0.27 0.00 0.00 31.44 29.65 3med n GLU 438 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 3med s THR 439 N -0.78 5.17 -0.31 6.31 2.01 -1.26 -1.23 115.64 125.55 3med s THR 439 Ca 0.58 -0.45 -0.20 0.00 0.31 0.00 0.00 61.69 61.93 3med s THR 439 Cb -0.54 -3.97 -0.01 0.00 0.01 0.00 0.00 72.50 67.99 3med s THR 439 CO 0.59 -0.34 0.62 -0.36 -0.69 0.00 0.00 174.62 174.43 3med s PHE 440 N 1.93 3.21 -0.34 4.92 0.40 0.38 -2.61 117.98 125.87 3med s PHE 440 Ca 0.09 0.56 -0.19 0.00 -0.60 0.00 0.00 56.93 56.79 3med s PHE 440 Cb -0.18 -2.97 -0.00 0.00 0.51 0.00 0.00 43.02 40.37 3med s PHE 440 CO 0.12 -0.47 0.58 0.71 0.70 0.00 0.00 175.22 176.85 3med s TYR 441 N 2.58 3.18 0.46 0.36 1.51 0.43 -0.41 117.35 125.46 3med s TYR 441 Ca 0.25 0.35 0.08 0.00 -1.01 0.00 0.00 57.07 56.73 3med s TYR 441 Cb -0.15 -2.99 0.00 0.00 -0.11 0.00 0.00 41.96 38.71 3med s TYR 441 CO 0.12 -0.54 0.45 0.14 -1.11 0.00 0.00 175.55 174.61 3med s VAL 442 N 2.53 2.46 0.00 0.71 -7.23 -0.54 -0.74 120.40 117.58 3med s VAL 442 Ca 0.22 -1.30 0.00 0.00 -1.81 0.00 0.00 61.98 59.09 3med s VAL 442 Cb -0.15 -2.75 0.00 0.00 0.56 0.00 0.00 36.38 34.04 3med s VAL 442 CO 0.13 0.00 0.00 -0.67 -0.31 0.00 0.00 175.10 174.25 3med n ASP 443 N -1.70 0.00 -4.53 4.85 -0.08 -0.88 -4.65 116.55 109.57 3med n ASP 443 Ca 0.04 0.00 -0.25 0.00 -1.51 0.00 0.00 54.79 53.08 3med n ASP 443 Cb 0.62 0.00 -0.09 0.00 2.34 0.00 0.00 41.12 43.98 3med n ASP 443 CO 0.00 0.00 0.00 -0.83 0.12 0.00 0.00 177.20 176.49 3med s GLY 444 N 0.00 1.77 -0.30 0.27 0.00 -1.26 -2.39 107.32 105.41 3med s GLY 444 Ca 0.00 -1.70 -0.16 0.00 0.00 0.00 0.00 44.72 42.86 3med s GLY 444 CO 0.00 -1.76 1.05 0.00 0.00 0.00 0.00 173.10 172.39 3med s ALA 445 N -2.16 -2.59 0.59 3.20 0.00 -1.12 -4.34 121.76 115.33 3med s ALA 445 Ca 0.28 2.08 0.09 0.00 0.00 0.00 0.00 51.96 54.41 3med s ALA 445 Cb -0.07 -1.94 0.09 0.00 0.00 0.00 0.00 23.12 21.21 3med s ALA 445 CO 0.15 -0.64 0.77 0.00 0.00 0.00 0.00 175.76 176.04 3med s ALA 446 N 1.80 4.71 -0.17 0.00 0.00 -1.26 -2.33 121.76 124.51 3med s ALA 446 Ca -0.05 -2.08 -0.01 0.00 0.00 0.00 0.00 51.96 49.82 3med s ALA 446 Cb -0.04 -1.35 -0.00 0.00 0.00 0.00 0.00 23.12 21.73 3med s ALA 446 CO -0.15 -0.87 -0.13 1.21 0.00 0.00 0.00 175.76 175.81 3med s ASN 447 N -4.65 3.75 0.56 0.00 3.84 -0.36 -4.93 114.94 113.15 3med s ASN 447 Ca 0.59 -0.47 0.24 0.00 0.21 0.00 0.00 52.86 53.43 3med s ASN 447 Cb -0.05 -1.59 1.59 0.00 -0.55 0.00 0.00 41.25 40.64 3med s ASN 447 CO 0.37 0.05 2.19 -0.09 -2.79 0.00 0.00 177.10 176.84 3med h ARG 448 N 7.55 0.00 0.00 0.43 9.65 -1.98 0.50 114.38 130.53 3med h ARG 448 Ca -0.36 0.00 -0.26 0.00 -1.10 0.00 0.00 59.98 58.26 3med h ARG 448 Cb 1.18 0.00 -0.05 0.00 -1.39 0.00 0.00 29.97 29.71 3med h ARG 448 CO 0.59 0.00 -1.97 0.39 2.80 0.00 0.00 179.97 181.77 3med n GLU 449 N -4.12 1.45 0.01 0.20 1.02 -1.26 -4.57 120.64 113.36 3med n GLU 449 Ca -0.02 0.02 -0.18 0.00 -0.02 0.00 0.00 57.16 56.96 3med n GLU 449 Cb 0.13 -1.36 -0.10 0.00 -0.02 0.00 0.00 31.44 30.09 3med n GLU 449 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 3med h THR 450 N 0.00 1.35 -0.50 2.62 2.02 -1.84 -3.48 112.91 113.09 3med h THR 450 Ca -0.38 -2.07 -0.17 0.00 0.77 0.00 0.00 66.41 64.55 3med h THR 450 Cb 1.81 2.39 -0.06 0.00 -1.74 0.00 0.00 68.15 70.55 3med h THR 450 CO 0.00 0.62 -0.16 0.29 0.37 0.00 0.00 175.52 176.64 3med n LYS 451 N -4.08 -0.60 -3.28 6.66 4.01 0.17 -4.75 118.16 116.29 3med n LYS 451 Ca -0.10 0.75 -0.38 0.00 -0.51 0.00 0.00 58.31 58.07 3med n LYS 451 Cb 0.73 -4.62 -0.06 0.00 -0.51 0.00 0.00 35.03 30.57 3med n LYS 451 CO 0.00 0.00 0.00 -1.17 -1.11 0.00 0.00 177.40 175.12 3med s LEU 452 N -1.98 4.33 0.12 -0.35 0.20 -1.26 -0.03 118.68 119.71 3med s LEU 452 Ca 0.00 0.95 0.09 0.00 0.69 0.00 0.00 54.13 55.86 3med s LEU 452 Cb 0.00 -2.78 -0.04 0.00 -0.43 0.00 0.00 46.19 42.95 3med s LEU 452 CO 0.00 0.04 -0.22 -0.83 -0.29 0.00 0.00 176.35 175.05 3med s GLY 453 N 0.30 1.35 -0.16 7.98 0.00 0.12 -1.23 107.32 115.67 3med s GLY 453 Ca 0.28 -1.34 -0.01 0.00 0.00 0.00 0.00 44.72 43.66 3med s GLY 453 CO 0.13 -1.34 -0.05 0.54 0.00 0.00 0.00 173.10 172.38 3med s LYS 454 N -2.08 1.40 0.17 2.90 1.02 -0.99 0.80 119.74 122.96 3med s LYS 454 Ca 0.10 -0.47 0.06 0.00 0.02 0.00 0.00 55.97 55.68 3med s LYS 454 Cb -0.09 -1.93 -0.04 0.00 -0.52 0.00 0.00 37.83 35.24 3med s LYS 454 CO 0.05 -0.42 0.07 0.00 -0.92 0.00 0.00 175.35 174.14 3med s ALA 455 N 1.66 3.40 0.00 5.17 0.00 -0.84 -2.80 121.76 128.34 3med s ALA 455 Ca 0.01 -1.29 0.00 0.00 0.00 0.00 0.00 51.96 50.68 3med s ALA 455 Cb -0.15 -1.19 0.00 0.00 0.00 0.00 0.00 23.12 21.78 3med s ALA 455 CO -0.08 0.49 0.00 0.41 0.00 0.00 0.00 175.76 176.58 3med n GLY 456 N -0.26 -1.06 3.41 0.00 0.00 -1.01 0.42 105.19 106.70 3med n GLY 456 Ca -0.09 -0.85 -0.13 0.00 0.00 0.00 0.00 46.02 44.95 3med n GLY 456 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3med s TYR 457 N -3.00 -0.47 0.20 1.61 -0.85 0.24 -2.07 117.35 113.01 3med s TYR 457 Ca 0.00 0.42 0.10 0.00 -0.52 0.00 0.00 57.07 57.07 3med s TYR 457 Cb 0.00 0.42 -0.04 0.00 0.38 0.00 0.00 41.96 42.72 3med s TYR 457 CO 0.00 -0.73 -0.21 0.08 -1.52 0.00 0.00 175.55 173.17 3med s VAL 458 N -2.98 2.18 0.20 -3.49 1.01 0.08 -1.88 120.40 115.51 3med s VAL 458 Ca -0.02 -2.08 0.08 0.00 0.00 0.00 0.00 61.98 59.96 3med s VAL 458 Cb -0.00 -2.06 -0.05 0.00 0.00 0.00 0.00 36.38 34.27 3med s VAL 458 CO -0.06 -0.25 -0.15 -0.89 0.00 0.00 0.00 175.10 173.75 3med s THR 459 N -2.01 1.72 -0.17 3.92 2.01 0.61 -0.43 115.64 121.30 3med s THR 459 Ca 0.21 -2.17 0.26 0.00 0.31 0.00 0.00 61.69 60.30 3med s THR 459 Cb -0.06 -2.00 0.32 0.00 0.01 0.00 0.00 72.50 70.76 3med s THR 459 CO 0.10 -0.57 1.75 -0.55 -0.69 0.00 0.00 174.62 174.66 3med h ASN 460 N 2.66 0.00 -0.25 3.53 -1.07 -1.81 -2.25 115.58 116.39 3med h ASN 460 Ca -0.38 0.00 0.00 0.00 0.07 0.00 0.00 56.30 55.99 3med h ASN 460 Cb 1.22 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.47 3med h ASN 460 CO 0.61 0.07 0.00 0.54 0.07 0.00 0.00 177.43 178.71 3med n ARG 461 N -3.14 2.43 -0.65 4.14 1.74 -1.26 -4.90 116.66 115.02 3med n ARG 461 Ca 0.02 -1.25 0.00 0.00 -0.77 0.00 0.00 57.85 55.85 3med n ARG 461 Cb 0.46 -1.70 0.00 0.00 -1.02 0.00 0.00 32.46 30.20 3med n ARG 461 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3med n GLY 462 N 0.39 1.28 3.80 -0.13 0.00 -0.85 -4.98 105.19 104.70 3med n GLY 462 Ca 0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 3med n GLY 462 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3med s ARG 463 N -0.13 3.40 -0.17 1.61 3.52 -1.26 -4.77 118.95 121.14 3med s ARG 463 Ca 0.00 1.28 -0.30 0.00 -0.13 0.00 0.00 55.73 56.58 3med s ARG 463 Cb 0.00 -2.04 0.13 0.00 -1.56 0.00 0.00 34.95 31.48 3med s ARG 463 CO 0.00 -0.75 1.00 1.14 -0.81 0.00 0.00 175.30 175.87 3med s GLN 464 N -3.83 0.59 -0.26 5.12 -2.07 -1.26 -0.28 119.66 117.67 3med s GLN 464 Ca 0.65 0.19 -0.26 0.00 -1.82 0.00 0.00 55.36 54.12 3med s GLN 464 Cb -0.17 0.28 0.09 0.00 -1.09 0.00 0.00 33.01 32.12 3med s GLN 464 CO 0.33 -0.18 0.85 0.21 -1.32 0.00 0.00 175.29 175.18 3med s LYS 465 N -0.98 0.71 0.01 9.60 2.20 -0.79 -5.00 119.74 125.49 3med s LYS 465 Ca -0.01 0.77 0.02 0.00 -0.36 0.00 0.00 55.97 56.39 3med s LYS 465 Cb -0.01 0.35 -0.01 0.00 -1.51 0.00 0.00 37.83 36.65 3med s LYS 465 CO 0.01 -0.10 -0.07 0.54 -0.36 0.00 0.00 175.35 175.37 3med s VAL 466 N 0.17 0.55 0.30 4.02 0.11 -1.26 -0.60 120.40 123.70 3med s VAL 466 Ca 0.01 -0.50 0.06 0.00 -2.93 0.00 0.00 61.98 58.62 3med s VAL 466 Cb -0.05 -0.50 -0.06 0.00 -1.53 0.00 0.00 36.38 34.24 3med s VAL 466 CO -0.01 0.02 -0.03 0.68 -3.33 0.00 0.00 175.10 172.43 3med s VAL 467 N -0.46 1.60 -0.20 2.04 -7.23 0.17 -4.98 120.40 111.33 3med s VAL 467 Ca -0.00 -2.09 -0.04 0.00 -1.81 0.00 0.00 61.98 58.04 3med s VAL 467 Cb -0.04 -2.58 -0.02 0.00 0.56 0.00 0.00 36.38 34.30 3med s VAL 467 CO 0.00 -0.20 -0.03 -0.89 -0.31 0.00 0.00 175.10 173.67 3med s THR 468 N -3.03 3.62 -0.00 5.32 2.01 -1.26 -1.99 115.64 120.30 3med s THR 468 Ca 0.32 -0.42 0.02 0.00 0.31 0.00 0.00 61.69 61.92 3med s THR 468 Cb 0.05 -2.63 -0.03 0.00 0.01 0.00 0.00 72.50 69.90 3med s THR 468 CO 0.13 0.43 -0.04 -0.76 -0.69 0.00 0.00 174.62 173.70 3med s LEU 469 N 1.18 3.33 -0.07 4.42 1.02 0.24 -4.99 118.68 123.81 3med s LEU 469 Ca 0.02 -0.07 0.01 0.00 0.02 0.00 0.00 54.13 54.11 3med s LEU 469 Cb -0.14 -1.89 -0.03 0.00 0.02 0.00 0.00 46.19 44.14 3med s LEU 469 CO -0.00 0.29 -0.08 0.42 0.02 0.00 0.00 176.35 177.00 3med s THR 470 N -1.02 3.63 -1.11 5.49 -4.23 -1.26 0.10 115.64 117.24 3med s THR 470 Ca 0.18 -0.51 -0.25 0.00 -1.18 0.00 0.00 61.69 59.93 3med s THR 470 Cb -0.11 -2.48 0.03 0.00 1.34 0.00 0.00 72.50 71.28 3med s THR 470 CO 0.08 0.60 0.68 0.47 -0.54 0.00 0.00 174.62 175.91 3med n ASP 471 N 2.22 -4.55 -4.35 3.99 8.00 0.95 -4.92 116.55 117.88 3med n ASP 471 Ca -0.18 -1.16 -0.22 0.00 0.71 0.00 0.00 54.79 53.94 3med n ASP 471 Cb 0.53 -1.98 -0.10 0.00 -0.02 0.00 0.00 41.12 39.54 3med n ASP 471 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3med s THR 472 N -3.39 0.95 0.30 -3.53 -4.23 -0.76 -5.04 115.64 99.95 3med s THR 472 Ca 0.37 -2.00 0.06 0.00 -1.18 0.00 0.00 61.69 58.94 3med s THR 472 Cb -0.19 -2.66 -0.02 0.00 1.34 0.00 0.00 72.50 70.97 3med s THR 472 CO 0.94 0.00 0.42 0.42 -0.54 0.00 0.00 174.62 175.86 3med s THR 473 N -3.34 4.47 0.58 3.99 -4.23 -1.26 -4.59 115.64 111.26 3med s THR 473 Ca 0.33 -1.01 0.28 0.00 -1.18 0.00 0.00 61.69 60.11 3med s THR 473 Cb 0.07 -3.56 0.36 0.00 1.34 0.00 0.00 72.50 70.71 3med s THR 473 CO 0.15 -0.22 2.12 -1.13 -0.54 0.00 0.00 174.62 175.00 3med h ASN 474 N 1.01 0.00 0.23 3.99 -0.73 -1.93 -0.58 115.58 117.56 3med h ASN 474 Ca -0.48 0.00 -0.01 0.00 1.87 0.00 0.00 56.30 57.68 3med h ASN 474 Cb 1.25 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.84 3med h ASN 474 CO 0.56 0.00 -0.11 1.56 -0.37 0.00 0.00 177.43 179.07 3med h GLN 475 N 0.00 -0.29 0.00 6.67 1.08 -1.95 -3.19 115.11 117.42 3med h GLN 475 Ca 0.08 0.02 -0.06 0.00 -1.45 0.00 0.00 58.65 57.23 3med h GLN 475 Cb 0.41 0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.89 3med h GLN 475 CO -0.00 -0.02 -0.30 0.87 -0.95 0.00 0.00 178.83 178.43 3med h LYS 476 N -0.56 0.00 -0.21 1.46 1.57 -1.52 -2.96 116.57 114.35 3med h LYS 476 Ca -0.03 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.55 3med h LYS 476 Cb 0.41 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.73 3med h LYS 476 CO 0.05 0.30 -0.63 1.79 -0.57 0.00 0.00 179.45 180.40 3med h THR 477 N 0.00 1.29 -0.10 -0.16 1.35 -1.34 -0.15 112.91 113.81 3med h THR 477 Ca -0.00 -1.82 -0.03 0.00 -0.55 0.00 0.00 66.41 64.00 3med h THR 477 Cb 0.71 1.84 -0.01 0.00 -1.73 0.00 0.00 68.15 68.96 3med h THR 477 CO 0.04 0.58 -0.09 -0.33 -0.25 0.00 0.00 175.52 175.47 3med h GLU 478 N 0.54 0.14 0.07 4.72 5.08 -1.51 -0.24 114.58 123.38 3med h GLU 478 Ca -0.02 -0.02 -0.25 0.00 -1.00 0.00 0.00 59.36 58.07 3med h GLU 478 Cb 1.25 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.47 3med h GLU 478 CO 0.13 0.25 -1.08 -0.07 -1.00 0.00 0.00 179.01 177.24 3med h LEU 479 N 0.14 0.44 -0.90 1.33 4.07 -1.42 -3.18 115.31 115.79 3med h LEU 479 Ca 0.03 -0.41 -0.11 0.00 0.08 0.00 0.00 57.88 57.47 3med h LEU 479 Cb 0.26 -0.14 -0.01 0.00 1.08 0.00 0.00 40.66 41.85 3med h LEU 479 CO 0.01 1.26 -0.40 1.56 -1.08 0.00 0.00 178.44 179.80 3med h GLN 480 N 0.13 0.31 -0.33 1.13 1.08 0.00 -2.13 115.11 115.31 3med h GLN 480 Ca -0.10 -0.15 -0.08 0.00 -1.45 0.00 0.00 58.65 56.87 3med h GLN 480 Cb 1.77 -0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 29.18 3med h GLN 480 CO 0.18 0.66 -0.15 0.00 -0.95 0.00 0.00 178.83 178.57 3med h ALA 481 N 1.33 1.13 0.02 3.87 0.00 -1.14 0.23 119.26 124.69 3med h ALA 481 Ca 0.03 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 3med h ALA 481 Cb 0.82 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.46 3med h ALA 481 CO 0.06 0.55 -0.01 0.82 0.00 0.00 0.00 179.25 180.67 3med h ILE 482 N 0.53 1.15 -0.52 0.00 1.08 -1.46 -2.28 117.51 116.02 3med h ILE 482 Ca 0.09 -0.52 0.09 0.00 -0.39 0.00 0.00 64.86 64.13 3med h ILE 482 Cb 0.57 1.50 -0.07 0.00 -3.07 0.00 0.00 36.82 35.75 3med h ILE 482 CO 0.04 0.13 0.10 0.22 -0.69 0.00 0.00 178.15 177.95 3med h TYR 483 N -0.25 0.15 -0.73 1.37 3.20 -1.05 -1.15 116.97 118.51 3med h TYR 483 Ca -0.00 0.03 0.11 0.00 3.14 0.00 0.00 58.73 62.00 3med h TYR 483 Cb 0.24 0.01 -0.08 0.00 1.54 0.00 0.00 36.73 38.44 3med h TYR 483 CO 0.00 -0.02 0.36 -0.07 -1.64 0.00 0.00 178.16 176.79 3med h LEU 484 N 0.23 0.45 -0.94 2.82 3.38 -0.39 -0.35 115.31 120.50 3med h LEU 484 Ca 0.26 0.07 -0.07 0.00 0.09 0.00 0.00 57.88 58.23 3med h LEU 484 Cb 0.36 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 3med h LEU 484 CO -0.35 0.24 -0.32 0.00 0.09 0.00 0.00 178.44 178.10 3med h ALA 485 N 1.46 0.99 0.04 1.53 0.00 -0.70 -2.65 119.26 119.93 3med h ALA 485 Ca 0.37 -0.29 -0.20 0.00 0.00 0.00 0.00 54.91 54.79 3med h ALA 485 Cb 0.43 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 18.19 3med h ALA 485 CO -0.30 0.40 -0.80 -0.07 0.00 0.00 0.00 179.25 178.48 3med h LEU 486 N 0.00 0.62 -0.31 0.00 3.38 0.03 -3.06 115.31 115.97 3med h LEU 486 Ca -0.00 -0.80 0.03 0.00 0.09 0.00 0.00 57.88 57.19 3med h LEU 486 Cb 0.87 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.39 3med h LEU 486 CO 0.04 1.35 0.14 1.56 0.09 0.00 0.00 178.44 181.63 3med h GLN 487 N -0.03 0.29 -0.01 1.13 4.20 -1.04 -3.21 115.11 116.43 3med h GLN 487 Ca -0.11 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.58 3med h GLN 487 Cb 1.52 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 29.23 3med h GLN 487 CO 0.15 0.19 -0.09 -0.25 -0.67 0.00 0.00 178.83 178.17 3med n ASP 488 N -4.98 1.43 -4.99 1.46 8.00 -1.01 -4.89 116.55 111.58 3med n ASP 488 Ca -0.00 -1.33 -0.18 0.00 0.71 0.00 0.00 54.79 53.99 3med n ASP 488 Cb 0.09 0.05 0.01 0.00 -0.02 0.00 0.00 41.12 41.25 3med n ASP 488 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3med s SER 489 N -2.17 5.48 0.49 -2.24 1.04 -1.16 -5.09 113.70 110.06 3med s SER 489 Ca 0.33 -0.53 0.00 0.00 0.48 0.00 0.00 55.95 56.23 3med s SER 489 Cb 0.20 -0.54 0.00 0.00 0.10 0.00 0.00 66.02 65.79 3med s SER 489 CO 0.40 -0.80 0.00 0.61 0.98 0.00 0.00 173.24 174.42 3med n GLY 490 N -1.83 -0.86 0.27 7.32 0.00 -1.26 -4.95 105.19 103.89 3med n GLY 490 Ca 0.08 -1.66 0.15 0.00 0.00 0.00 0.00 46.02 44.59 3med n GLY 490 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3med h LEU 491 N 0.00 0.00 -9.37 0.99 4.07 -1.94 -3.41 115.31 105.66 3med h LEU 491 Ca 0.00 0.00 -0.60 0.00 0.08 0.00 0.00 57.88 57.36 3med h LEU 491 Cb 0.00 0.00 -0.13 0.00 1.08 0.00 0.00 40.66 41.61 3med h LEU 491 CO 0.00 0.08 -0.71 -1.61 -1.08 0.00 0.00 178.44 175.12 3med s GLU 492 N -3.93 2.07 0.00 1.13 2.02 -1.26 0.82 118.70 119.55 3med s GLU 492 Ca -0.01 -1.38 0.00 0.00 0.02 0.00 0.00 54.97 53.60 3med s GLU 492 Cb 0.11 -2.10 0.00 0.00 0.10 0.00 0.00 34.13 32.24 3med s GLU 492 CO 0.55 0.40 0.00 1.55 0.02 0.00 0.00 175.26 177.78 3med n VAL 493 N -0.31 0.00 -3.74 2.63 3.14 -0.69 -4.61 118.33 114.76 3med n VAL 493 Ca -0.09 0.00 -0.35 0.00 -2.96 0.00 0.00 64.34 60.94 3med n VAL 493 Cb 0.57 0.00 -0.08 0.00 -1.06 0.00 0.00 33.84 33.27 3med n VAL 493 CO 0.00 0.00 0.00 0.20 -6.46 0.00 0.00 176.83 170.57 3med s ASN 494 N 0.00 6.16 -0.13 6.55 0.01 -0.37 -2.14 114.94 125.03 3med s ASN 494 Ca 0.00 0.21 0.01 0.00 -0.71 0.00 0.00 52.86 52.37 3med s ASN 494 Cb 0.00 -2.08 -0.01 0.00 0.41 0.00 0.00 41.25 39.57 3med s ASN 494 CO 0.00 0.17 -0.16 -0.63 -1.51 0.00 0.00 177.10 174.97 3med s ILE 495 N 0.42 2.79 -0.19 0.60 1.01 0.10 -0.47 121.20 125.46 3med s ILE 495 Ca 0.08 -0.75 -0.02 0.00 0.00 0.00 0.00 60.65 59.95 3med s ILE 495 Cb -0.11 -2.16 -0.01 0.00 0.01 0.00 0.00 42.46 40.20 3med s ILE 495 CO -0.01 0.53 -0.09 -0.69 0.00 0.00 0.00 174.94 174.68 3med s VAL 496 N 0.44 3.12 0.28 2.92 1.01 0.45 -0.64 120.40 127.97 3med s VAL 496 Ca -0.11 -0.59 0.06 0.00 0.00 0.00 0.00 61.98 61.33 3med s VAL 496 Cb -0.16 -2.38 -0.06 0.00 0.00 0.00 0.00 36.38 33.78 3med s VAL 496 CO 0.05 0.47 -0.03 0.28 0.00 0.00 0.00 175.10 175.87 3med s THR 497 N 1.15 1.48 -0.78 3.92 -1.32 0.70 -1.47 115.64 119.32 3med s THR 497 Ca 0.01 -2.09 0.09 0.00 -1.21 0.00 0.00 61.69 58.49 3med s THR 497 Cb -0.14 -2.47 -0.01 0.00 -1.51 0.00 0.00 72.50 68.36 3med s THR 497 CO -0.02 -0.27 0.57 -0.90 -2.21 0.00 0.00 174.62 171.79 3med n ASP 498 N -0.57 1.08 -4.50 8.08 3.85 -1.26 -0.59 116.55 122.64 3med n ASP 498 Ca -0.05 -1.04 -0.43 0.00 -0.71 0.00 0.00 54.79 52.56 3med n ASP 498 Cb 0.64 0.51 -0.04 0.00 -1.35 0.00 0.00 41.12 40.88 3med n ASP 498 CO 0.00 0.00 0.00 -0.55 -1.01 0.00 0.00 177.20 175.64 3med s SER 499 N -1.30 6.27 0.35 -1.12 0.15 -1.26 -4.67 113.70 112.11 3med s SER 499 Ca 0.07 -0.58 0.03 0.00 0.70 0.00 0.00 55.95 56.16 3med s SER 499 Cb 0.07 -2.44 0.63 0.00 -1.71 0.00 0.00 66.02 62.57 3med s SER 499 CO 0.23 -1.33 1.98 -0.61 1.20 0.00 0.00 173.24 174.71 3med h GLN 500 N 9.44 0.77 0.14 5.44 -0.00 -1.93 -0.52 115.11 128.45 3med h GLN 500 Ca -0.27 -0.07 0.01 0.00 -0.00 0.00 0.00 58.65 58.32 3med h GLN 500 Cb 1.07 -0.16 -0.03 0.00 0.00 0.00 0.00 27.48 28.36 3med h GLN 500 CO 1.13 0.56 -0.24 -0.92 0.00 0.00 0.00 178.83 179.36 3med h TYR 501 N 0.78 -0.64 -0.70 3.99 3.20 -1.99 0.13 116.97 121.74 3med h TYR 501 Ca 0.20 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.06 3med h TYR 501 Cb -0.01 0.26 -0.03 0.00 1.54 0.00 0.00 36.73 38.49 3med h TYR 501 CO 0.00 -0.34 0.35 0.00 -1.64 0.00 0.00 178.16 176.54 3med h ALA 502 N 0.29 0.91 -0.34 1.82 0.00 -1.84 -2.08 119.26 118.00 3med h ALA 502 Ca 0.02 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 54.84 3med h ALA 502 Cb 0.47 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 3med h ALA 502 CO -0.12 0.45 0.11 1.25 0.00 0.00 0.00 179.25 180.94 3med h LEU 503 N 0.98 0.10 -0.21 0.00 5.85 -0.85 -2.32 115.31 118.86 3med h LEU 503 Ca 0.24 0.04 0.05 0.00 0.84 0.00 0.00 57.88 59.05 3med h LEU 503 Cb 0.09 0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.11 3med h LEU 503 CO -0.03 0.09 -0.10 1.23 -0.34 0.00 0.00 178.44 179.29 3med h GLY 504 N 0.25 0.08 0.41 3.75 0.00 -0.17 0.22 103.07 107.60 3med h GLY 504 Ca 0.16 0.13 -0.00 0.00 0.00 0.00 0.00 47.33 47.61 3med h GLY 504 CO -0.17 -0.12 -0.47 -2.22 0.00 0.00 0.00 176.54 173.55 3med h ILE 505 N -0.08 0.07 -0.21 2.60 2.04 -1.00 -2.99 117.51 117.95 3med h ILE 505 Ca 0.11 0.00 -0.19 0.00 1.00 0.00 0.00 64.86 65.79 3med h ILE 505 Cb 0.24 0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.40 3med h ILE 505 CO -0.26 0.00 -0.59 0.40 0.00 0.00 0.00 178.15 177.70 3med h ILE 506 N -0.86 1.29 -0.41 -0.67 5.03 -1.25 -2.86 117.51 117.79 3med h ILE 506 Ca -0.03 -1.80 0.12 0.00 -0.12 0.00 0.00 64.86 63.03 3med h ILE 506 Cb 0.79 1.84 -0.02 0.00 -3.03 0.00 0.00 36.82 36.41 3med h ILE 506 CO -0.14 0.57 0.38 -0.61 -0.68 0.00 0.00 178.15 177.67 3med h GLN 507 N 0.51 0.00 -0.00 2.37 5.75 -0.96 0.70 115.11 123.47 3med h GLN 507 Ca -0.01 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.49 3med h GLN 507 Cb 1.21 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.76 3med h GLN 507 CO 0.13 0.00 -0.07 0.00 -2.65 0.00 0.00 178.83 176.24 3med n ALA 508 N -2.43 2.71 -3.19 3.38 0.00 -1.08 -4.96 120.51 114.94 3med n ALA 508 Ca 0.07 -0.27 -0.14 0.00 0.00 0.00 0.00 53.44 53.10 3med n ALA 508 Cb 0.56 -1.36 0.07 0.00 0.00 0.00 0.00 19.45 18.73 3med n ALA 508 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3med n GLN 509 N -0.85 -5.50 -1.60 0.00 6.02 0.24 -4.88 117.38 110.82 3med n GLN 509 Ca 0.17 0.70 -0.37 0.00 -0.01 0.00 0.00 57.00 57.49 3med n GLN 509 Cb 0.26 -5.28 0.07 0.00 1.02 0.00 0.00 30.24 26.30 3med n GLN 509 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 177.06 173.75 3med n PRO 510 N -3.60 0.88 0.00 -1.09 -0.02 -1.26 -4.67 135.00 125.25 3med n PRO 510 Ca -0.23 0.35 0.00 0.00 -2.02 0.00 0.00 63.50 61.60 3med n PRO 510 Cb 0.64 -2.35 0.00 0.00 -0.02 0.00 0.00 33.50 31.77 3med n PRO 510 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3med n ASP 511 N -1.56 0.71 -4.08 2.55 5.68 -0.91 -4.91 116.55 114.03 3med n ASP 511 Ca 0.15 -1.02 -0.12 0.00 -0.50 0.00 0.00 54.79 53.30 3med n ASP 511 Cb 0.48 0.00 -0.11 0.00 -1.14 0.00 0.00 41.12 40.35 3med n ASP 511 CO 0.00 0.00 0.00 -1.10 -1.33 0.00 0.00 177.20 174.77 3med s GLN 512 N -0.02 0.59 -0.12 0.11 -0.21 -0.66 -5.00 119.66 114.36 3med s GLN 512 Ca 0.00 -0.91 -0.30 0.00 0.02 0.00 0.00 55.36 54.17 3med s GLN 512 Cb 0.00 -0.23 0.10 0.00 1.00 0.00 0.00 33.01 33.88 3med s GLN 512 CO 0.00 0.02 0.83 0.45 -2.12 0.00 0.00 175.29 174.48 3med s SER 513 N -1.99 -0.53 0.36 5.90 0.15 -1.26 -3.43 113.70 112.90 3med s SER 513 Ca -0.04 0.62 0.04 0.00 0.70 0.00 0.00 55.95 57.26 3med s SER 513 Cb -0.05 0.49 0.66 0.00 -1.71 0.00 0.00 66.02 65.41 3med s SER 513 CO -0.01 -0.46 1.96 -0.33 1.20 0.00 0.00 173.24 175.60 3med h GLU 514 N 2.93 0.65 -6.84 5.44 4.39 -1.95 -3.44 114.58 115.76 3med h GLU 514 Ca -0.23 -0.08 -0.52 0.00 0.34 0.00 0.00 59.36 58.87 3med h GLU 514 Cb 1.15 -0.13 0.05 0.00 -0.10 0.00 0.00 28.75 29.72 3med h GLU 514 CO 0.33 0.52 0.60 0.45 -1.16 0.00 0.00 179.01 179.75 3med s SER 515 N -6.63 6.91 -0.02 1.42 0.15 -1.26 -4.96 113.70 109.31 3med s SER 515 Ca -0.09 2.55 -0.22 0.00 0.70 0.00 0.00 55.95 58.89 3med s SER 515 Cb 0.17 -2.64 -0.22 0.00 -1.71 0.00 0.00 66.02 61.62 3med s SER 515 CO 0.76 -0.43 1.11 -0.08 1.20 0.00 0.00 173.24 175.80 3med h GLU 516 N 3.72 0.27 -0.34 5.44 4.57 -1.99 -2.94 114.58 123.31 3med h GLU 516 Ca -0.48 -0.25 0.07 0.00 -1.18 0.00 0.00 59.36 57.52 3med h GLU 516 Cb 1.22 0.06 -0.07 0.00 -0.16 0.00 0.00 28.75 29.80 3med h GLU 516 CO 0.67 0.93 -0.14 1.25 -1.18 0.00 0.00 179.01 180.54 3med h LEU 517 N -0.30 -0.50 -0.67 1.64 6.46 -1.98 0.13 115.31 120.10 3med h LEU 517 Ca -0.03 0.12 -0.05 0.00 -0.12 0.00 0.00 57.88 57.80 3med h LEU 517 Cb 1.02 0.28 -0.03 0.00 -0.73 0.00 0.00 40.66 41.20 3med h LEU 517 CO 0.06 -0.18 0.23 0.58 -0.62 0.00 0.00 178.44 178.52 3med h VAL 518 N -0.09 1.25 -0.37 1.05 2.07 -1.96 0.39 116.25 118.59 3med h VAL 518 Ca 0.17 -0.82 -0.06 0.00 0.82 0.00 0.00 66.70 66.80 3med h VAL 518 Cb 0.34 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 3med h VAL 518 CO -0.39 0.32 -0.03 0.78 0.02 0.00 0.00 177.57 178.27 3med h ASN 519 N 0.96 0.56 0.77 0.57 2.35 -1.26 0.14 115.58 119.66 3med h ASN 519 Ca 0.22 -0.12 -0.03 0.00 -0.55 0.00 0.00 56.30 55.81 3med h ASN 519 Cb 0.26 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.49 3med h ASN 519 CO -0.01 0.65 -0.43 1.56 -1.65 0.00 0.00 177.43 177.55 3med h GLN 520 N 0.56 -1.08 -0.95 0.81 4.20 0.79 -1.51 115.11 117.94 3med h GLN 520 Ca 0.11 0.07 0.22 0.00 0.06 0.00 0.00 58.65 59.11 3med h GLN 520 Cb 0.40 0.24 -0.07 0.00 0.30 0.00 0.00 27.48 28.35 3med h GLN 520 CO 0.02 -0.72 0.62 0.82 -0.67 0.00 0.00 178.83 178.90 3med h ILE 521 N -1.12 0.65 -0.11 2.54 2.04 -0.01 -1.15 117.51 120.35 3med h ILE 521 Ca -0.10 -0.15 -0.03 0.00 1.00 0.00 0.00 64.86 65.58 3med h ILE 521 Cb 0.88 0.18 -0.00 0.00 -0.74 0.00 0.00 36.82 37.14 3med h ILE 521 CO 0.13 0.08 -0.04 0.40 0.00 0.00 0.00 178.15 178.71 3med h ILE 522 N 0.43 1.31 -0.87 -0.67 2.04 -0.56 -1.99 117.51 117.20 3med h ILE 522 Ca 0.51 -1.04 0.19 0.00 1.00 0.00 0.00 64.86 65.51 3med h ILE 522 Cb 1.23 1.78 -0.11 0.00 -0.74 0.00 0.00 36.82 38.98 3med h ILE 522 CO -0.21 0.30 0.41 1.05 0.00 0.00 0.00 178.15 179.69 3med h GLU 523 N -0.13 0.48 -0.15 2.37 4.11 -0.14 -0.94 114.58 120.18 3med h GLU 523 Ca 0.02 -0.03 -0.03 0.00 0.07 0.00 0.00 59.36 59.39 3med h GLU 523 Cb 0.49 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.62 3med h GLU 523 CO 0.01 0.31 -0.04 1.96 0.07 0.00 0.00 179.01 181.33 3med h GLN 524 N 0.49 0.28 -0.96 1.06 1.08 -1.36 -2.92 115.11 112.78 3med h GLN 524 Ca 0.51 -0.11 0.16 0.00 -1.45 0.00 0.00 58.65 57.76 3med h GLN 524 Cb 0.88 -0.02 -0.08 0.00 -0.05 0.00 0.00 27.48 28.21 3med h GLN 524 CO -0.46 0.57 0.61 -0.07 -0.95 0.00 0.00 178.83 178.52 3med h LEU 525 N -0.02 0.75 -0.44 1.46 3.38 -0.42 -0.30 115.31 119.71 3med h LEU 525 Ca 0.04 0.06 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 3med h LEU 525 Cb 0.46 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 3med h LEU 525 CO 0.01 0.35 0.17 0.40 0.09 0.00 0.00 178.44 179.46 3med h ILE 526 N 0.78 1.21 0.00 1.22 1.08 -1.19 -3.10 117.51 117.51 3med h ILE 526 Ca 0.50 -0.65 -0.05 0.00 -0.39 0.00 0.00 64.86 64.27 3med h ILE 526 Cb 0.74 0.81 -0.01 0.00 -3.07 0.00 0.00 36.82 35.30 3med h ILE 526 CO -0.27 0.24 -0.24 0.07 -0.69 0.00 0.00 178.15 177.26 3med h LYS 527 N 0.57 0.00 -7.32 2.37 2.10 -0.91 -3.45 116.57 109.93 3med h LYS 527 Ca 0.15 0.00 -0.50 0.00 -2.00 0.00 0.00 60.65 58.29 3med h LYS 527 Cb 0.21 0.00 0.14 0.00 -0.90 0.00 0.00 32.23 31.68 3med h LYS 527 CO -0.01 0.24 0.29 0.15 -2.00 0.00 0.00 179.45 178.12 3med s LYS 528 N -3.46 1.86 0.00 0.07 3.01 -0.60 -4.98 119.74 115.63 3med s LYS 528 Ca 0.02 1.03 0.09 0.00 -1.01 0.00 0.00 55.97 56.10 3med s LYS 528 Cb 0.09 -1.86 -0.05 0.00 -1.01 0.00 0.00 37.83 35.00 3med s LYS 528 CO 0.66 -1.88 0.48 -1.91 0.51 0.00 0.00 175.35 173.20 3med n GLU 529 N -3.67 3.19 -3.25 1.68 0.00 0.24 -4.96 120.64 113.88 3med n GLU 529 Ca 0.08 -0.27 0.04 0.00 0.00 0.00 0.00 57.16 57.01 3med n GLU 529 Cb 0.54 -0.98 -0.03 0.00 0.00 0.00 0.00 31.44 30.97 3med n GLU 529 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 3med s LYS 530 N -1.57 0.19 -0.11 5.31 1.02 -0.73 -4.92 119.74 118.93 3med s LYS 530 Ca 0.05 0.42 0.01 0.00 0.02 0.00 0.00 55.97 56.48 3med s LYS 530 Cb 0.07 0.25 0.02 0.00 -0.52 0.00 0.00 37.83 37.64 3med s LYS 530 CO 0.30 -0.12 -0.14 0.08 -0.92 0.00 0.00 175.35 174.55 3med s VAL 531 N 2.55 1.40 -0.20 3.17 1.01 -1.26 -1.70 120.40 125.37 3med s VAL 531 Ca -0.01 -0.57 -0.04 0.00 0.00 0.00 0.00 61.98 61.36 3med s VAL 531 Cb -0.06 -1.30 -0.01 0.00 0.00 0.00 0.00 36.38 35.01 3med s VAL 531 CO -0.15 0.42 -0.04 -0.47 0.00 0.00 0.00 175.10 174.86 3med s TYR 532 N 1.09 2.96 -0.17 5.22 5.04 -0.91 -0.50 117.35 130.08 3med s TYR 532 Ca -0.05 -0.78 -0.04 0.00 -2.44 0.00 0.00 57.07 53.76 3med s TYR 532 Cb -0.14 -2.07 -0.03 0.00 0.35 0.00 0.00 41.96 40.07 3med s TYR 532 CO -0.03 -0.43 -0.02 -1.17 -1.34 0.00 0.00 175.55 172.57 3med s LEU 533 N 1.22 3.31 0.10 6.97 2.96 -1.26 0.02 118.68 132.00 3med s LEU 533 Ca 0.03 -0.13 0.05 0.00 -0.22 0.00 0.00 54.13 53.86 3med s LEU 533 Cb -0.14 -1.81 -0.03 0.00 0.50 0.00 0.00 46.19 44.70 3med s LEU 533 CO -0.01 0.14 -0.13 0.00 -1.32 0.00 0.00 176.35 175.03 3med s ALA 534 N 0.55 1.27 0.11 5.97 0.00 0.18 -4.98 121.76 124.87 3med s ALA 534 Ca -0.02 -1.18 0.08 0.00 0.00 0.00 0.00 51.96 50.85 3med s ALA 534 Cb -0.14 -0.04 -0.04 0.00 0.00 0.00 0.00 23.12 22.90 3med s ALA 534 CO 0.02 0.06 -0.15 -0.46 0.00 0.00 0.00 175.76 175.23 3med s TRP 535 N -2.03 2.60 0.02 0.00 -0.00 -1.26 -0.21 118.94 118.05 3med s TRP 535 Ca 0.05 -0.23 -0.04 0.00 -0.00 0.00 0.00 56.10 55.88 3med s TRP 535 Cb -0.05 -1.37 -0.01 0.00 -0.00 0.00 0.00 33.47 32.03 3med s TRP 535 CO 0.02 0.40 0.06 0.08 -0.00 0.00 0.00 176.95 177.51 3med s VAL 536 N -1.17 0.11 0.19 5.86 1.01 0.24 -4.90 120.40 121.73 3med s VAL 536 Ca 0.19 -0.92 -0.31 0.00 0.00 0.00 0.00 61.98 60.94 3med s VAL 536 Cb -0.11 -0.54 -0.10 0.00 0.00 0.00 0.00 36.38 35.64 3med s VAL 536 CO 0.11 -0.51 1.50 -2.84 0.00 0.00 0.00 175.10 173.37 3med s PRO 537 N -1.84 4.25 0.41 2.72 0.02 -1.26 -4.27 135.00 135.02 3med s PRO 537 Ca -0.12 2.31 -0.26 0.00 0.02 0.00 0.00 61.00 62.95 3med s PRO 537 Cb -0.06 -3.15 -0.09 0.00 0.02 0.00 0.00 34.50 31.22 3med s PRO 537 CO -0.01 -0.52 1.32 0.00 -0.33 0.00 0.00 177.00 177.46 3med s ALA 538 N 0.70 3.27 -1.34 -1.55 0.00 -1.26 -3.53 121.76 118.04 3med s ALA 538 Ca 0.65 1.26 -0.17 0.00 0.00 0.00 0.00 51.96 53.70 3med s ALA 538 Cb -0.42 -3.50 0.17 0.00 0.00 0.00 0.00 23.12 19.37 3med s ALA 538 CO 0.36 -0.85 0.43 -2.39 0.00 0.00 0.00 175.76 173.30 3med n HIS 539 N 0.12 -0.98 -1.12 0.00 -0.00 -1.26 -4.76 115.22 107.21 3med n HIS 539 Ca 0.04 0.49 -0.04 0.00 -0.00 0.00 0.00 57.72 58.21 3med n HIS 539 Cb 0.43 -1.40 0.27 0.00 -0.00 0.00 0.00 29.99 29.29 3med n HIS 539 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 3med n LYS 540 N -3.18 3.13 -1.19 -1.40 4.76 -1.23 -4.93 118.16 114.12 3med n LYS 540 Ca 0.09 -3.06 -0.07 0.00 -2.87 0.00 0.00 58.31 52.40 3med n LYS 540 Cb 0.36 -2.07 -0.03 0.00 -1.84 0.00 0.00 35.03 31.45 3med n LYS 540 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3med n GLY 541 N -0.47 0.88 3.71 0.72 0.00 -1.26 -4.95 105.19 103.82 3med n GLY 541 Ca 0.37 -0.72 -0.42 0.00 0.00 0.00 0.00 46.02 45.25 3med n GLY 541 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3med s ILE 542 N -2.23 3.07 0.00 -0.61 -1.09 -1.26 -4.88 121.20 114.20 3med s ILE 542 Ca 0.00 0.74 0.00 0.00 -2.23 0.00 0.00 60.65 59.16 3med s ILE 542 Cb 0.00 -3.48 0.00 0.00 -1.58 0.00 0.00 42.46 37.40 3med s ILE 542 CO 0.00 0.05 0.09 0.61 -1.23 0.00 0.00 174.94 174.46 3med n GLY 543 N 3.63 -0.64 0.37 6.18 0.00 -1.26 -1.55 105.19 111.92 3med n GLY 543 Ca 0.13 0.14 0.15 0.00 0.00 0.00 0.00 46.02 46.44 3med n GLY 543 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3med h GLY 544 N 0.00 0.57 0.80 -0.02 0.00 -2.03 -2.95 103.07 99.45 3med h GLY 544 Ca 0.00 -0.15 -0.09 0.00 0.00 0.00 0.00 47.33 47.09 3med h GLY 544 CO 0.00 0.06 -0.26 -0.57 0.00 0.00 0.00 176.54 175.77 3med h ASN 545 N 0.35 0.50 -0.85 0.19 -1.24 -1.67 -3.13 115.58 109.74 3med h ASN 545 Ca 0.33 -0.53 0.12 0.00 0.71 0.00 0.00 56.30 56.93 3med h ASN 545 Cb 0.80 -0.14 -0.06 0.00 0.73 0.00 0.00 38.32 39.65 3med h ASN 545 CO -0.09 0.94 0.55 -0.08 -1.29 0.00 0.00 177.43 177.46 3med h GLU 546 N 0.08 0.69 0.63 6.67 4.57 -1.25 -1.07 114.58 124.91 3med h GLU 546 Ca 0.01 -0.04 -0.03 0.00 -1.18 0.00 0.00 59.36 58.12 3med h GLU 546 Cb 0.84 -0.16 0.01 0.00 -0.16 0.00 0.00 28.75 29.28 3med h GLU 546 CO 0.06 0.46 -0.31 1.96 -1.18 0.00 0.00 179.01 180.00 3med h GLN 547 N 0.71 -0.82 0.00 1.92 7.50 -1.65 0.12 115.11 122.89 3med h GLN 547 Ca 0.41 0.06 0.00 0.00 0.50 0.00 0.00 58.65 59.62 3med h GLN 547 Cb 0.60 0.19 0.00 0.00 0.05 0.00 0.00 27.48 28.32 3med h GLN 547 CO -0.18 -0.55 0.00 1.55 -1.50 0.00 0.00 178.83 178.16 3med n VAL 548 N -5.46 0.34 0.02 -0.54 3.14 -1.09 -2.29 118.33 112.45 3med n VAL 548 Ca -0.13 0.09 -0.22 0.00 -2.96 0.00 0.00 64.34 61.11 3med n VAL 548 Cb 0.35 -0.71 -0.14 0.00 -1.06 0.00 0.00 33.84 32.28 3med n VAL 548 CO 0.00 0.00 0.00 -0.78 -6.46 0.00 0.00 176.83 169.59 3med h ASP 549 N 0.00 0.45 -0.36 6.55 3.58 -0.42 -3.21 116.42 123.01 3med h ASP 549 Ca 0.00 -0.90 -0.13 0.00 0.42 0.00 0.00 57.03 56.42 3med h ASP 549 Cb 0.27 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 41.16 3med h ASP 549 CO 0.00 1.75 -0.27 0.07 -2.88 0.00 0.00 179.24 177.91 3med h LYS 550 N -0.08 0.83 0.00 0.28 2.10 -0.73 -3.22 116.57 115.75 3med h LYS 550 Ca -0.36 -0.40 0.00 0.00 -2.00 0.00 0.00 60.65 57.88 3med h LYS 550 Cb 1.94 -0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.27 3med h LYS 550 CO 0.09 1.04 0.00 -0.11 -2.00 0.00 0.00 179.45 178.47 3med n LEU 551 N -4.19 0.07 -0.95 7.07 7.94 -0.97 -5.12 117.00 120.84 3med n LEU 551 Ca -0.02 0.52 0.12 0.00 -1.11 0.00 0.00 56.01 55.51 3med n LEU 551 Cb 0.47 -0.51 0.11 0.00 0.53 0.00 0.00 43.42 44.02 3med n LEU 551 CO 0.46 -0.29 0.63 1.33 -1.11 0.00 0.00 177.39 178.41