#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fww s SER 5 N 0.00 3.56 -0.26 -3.46 0.15 -1.26 -5.10 113.70 107.33 3fww s SER 5 Ca 0.00 -0.33 -0.18 0.00 0.70 0.00 0.00 55.95 56.14 3fww s SER 5 Cb 0.00 -0.66 0.07 0.00 -1.71 0.00 0.00 66.02 63.72 3fww s SER 5 CO 0.00 0.32 0.66 -0.32 1.20 0.00 0.00 173.24 175.10 3fww s MET 6 N -0.61 0.71 0.24 5.44 -2.45 -1.26 -2.06 119.30 119.31 3fww s MET 6 Ca 0.09 1.10 0.08 0.00 -1.25 0.00 0.00 55.69 55.71 3fww s MET 6 Cb -0.11 0.20 -0.05 0.00 1.25 0.00 0.00 34.83 36.12 3fww s MET 6 CO 0.00 -0.13 -0.12 -1.12 1.05 0.00 0.00 175.02 174.70 3fww s SER 7 N 1.23 2.78 0.18 1.11 0.01 0.78 -0.48 113.70 119.31 3fww s SER 7 Ca -0.07 -1.08 0.11 0.00 1.31 0.00 0.00 55.95 56.22 3fww s SER 7 Cb -0.05 -0.17 -0.04 0.00 0.21 0.00 0.00 66.02 65.96 3fww s SER 7 CO -0.13 -0.21 -0.23 -0.69 0.41 0.00 0.00 173.24 172.39 3fww s VAL 8 N -2.93 2.25 -0.09 3.43 1.01 -0.88 -0.65 120.40 122.53 3fww s VAL 8 Ca 0.26 -1.98 0.02 0.00 0.00 0.00 0.00 61.98 60.28 3fww s VAL 8 Cb 0.00 -2.06 0.01 0.00 0.00 0.00 0.00 36.38 34.34 3fww s VAL 8 CO 0.10 -0.12 -0.15 -0.69 0.00 0.00 0.00 175.10 174.23 3fww s VAL 9 N -1.65 1.46 -0.32 2.92 1.01 0.53 -1.08 120.40 123.27 3fww s VAL 9 Ca 0.19 -0.64 -0.09 0.00 0.00 0.00 0.00 61.98 61.43 3fww s VAL 9 Cb -0.08 -1.32 -0.00 0.00 0.00 0.00 0.00 36.38 34.98 3fww s VAL 9 CO 0.09 0.43 0.15 -0.63 0.00 0.00 0.00 175.10 175.14 3fww s ILE 10 N 0.81 4.53 -0.05 2.22 1.01 0.23 -0.26 121.20 129.69 3fww s ILE 10 Ca -0.11 -0.49 -0.26 0.00 0.00 0.00 0.00 60.65 59.79 3fww s ILE 10 Cb -0.16 -3.34 -0.03 0.00 0.01 0.00 0.00 42.46 38.95 3fww s ILE 10 CO 0.01 0.04 0.81 -0.76 0.00 0.00 0.00 174.94 175.04 3fww s LEU 11 N 1.60 4.32 -0.42 2.97 1.43 0.91 -1.44 118.68 128.05 3fww s LEU 11 Ca 0.04 1.36 0.07 0.00 -1.03 0.00 0.00 54.13 54.57 3fww s LEU 11 Cb -0.17 -3.27 0.33 0.00 0.03 0.00 0.00 46.19 43.10 3fww s LEU 11 CO 0.06 -0.19 1.22 0.00 0.23 0.00 0.00 176.35 177.67 3fww n ALA 12 N 3.95 -0.39 0.01 4.21 0.00 -0.51 -0.48 120.51 127.29 3fww n ALA 12 Ca 0.02 -1.25 0.01 0.00 0.00 0.00 0.00 53.44 52.22 3fww n ALA 12 Cb 0.51 -1.27 -0.01 0.00 0.00 0.00 0.00 19.45 18.68 3fww n ALA 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3fww n ALA 13 N -0.02 2.08 -0.52 0.00 0.00 -1.23 -4.32 120.51 116.51 3fww n ALA 13 Ca -0.00 -0.04 -0.30 0.00 0.00 0.00 0.00 53.44 53.10 3fww n ALA 13 Cb 0.75 -0.06 0.27 0.00 0.00 0.00 0.00 19.45 20.42 3fww n ALA 13 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3fww s GLY 14 N -2.05 1.47 -0.34 0.00 0.00 -1.26 -3.93 107.32 101.21 3fww s GLY 14 Ca -0.00 -0.61 -0.14 0.00 0.00 0.00 0.00 44.72 43.97 3fww s GLY 14 CO 0.07 0.29 0.31 0.54 0.00 0.00 0.00 173.10 174.31 3fww s LYS 15 N -4.90 3.54 0.00 2.90 1.02 -1.26 -4.90 119.74 116.14 3fww s LYS 15 Ca 0.69 -0.51 -0.04 0.00 0.02 0.00 0.00 55.97 56.13 3fww s LYS 15 Cb -0.17 -3.80 -0.20 0.00 -0.52 0.00 0.00 37.83 33.14 3fww s LYS 15 CO 0.60 -0.48 3.00 0.41 -0.92 0.00 0.00 175.35 177.95 3fww n GLY 16 N 5.02 2.68 0.33 -3.33 0.00 -1.26 -4.64 105.19 103.99 3fww n GLY 16 Ca -0.11 -0.88 0.17 0.00 0.00 0.00 0.00 46.02 45.21 3fww n GLY 16 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3fww h THR 17 N 1.93 0.43 -0.03 2.61 2.02 -1.93 0.67 112.91 118.62 3fww h THR 17 Ca 0.14 -0.14 0.00 0.00 0.77 0.00 0.00 66.41 67.17 3fww h THR 17 Cb 1.26 -0.02 0.00 0.00 -1.74 0.00 0.00 68.15 67.65 3fww h THR 17 CO 0.21 0.08 0.00 0.54 0.37 0.00 0.00 175.52 176.72 3fww n ARG 18 N -5.01 1.13 0.10 6.66 1.74 -1.26 -2.02 116.66 118.00 3fww n ARG 18 Ca 0.26 -0.20 0.12 0.00 -0.77 0.00 0.00 57.85 57.26 3fww n ARG 18 Cb 0.77 -1.27 0.17 0.00 -1.02 0.00 0.00 32.46 31.11 3fww n ARG 18 CO 0.00 0.00 0.00 0.52 -1.52 0.00 0.00 177.63 176.63 3fww h MET 19 N 0.39 0.00 -6.62 5.56 2.86 -0.90 -3.42 114.93 112.80 3fww h MET 19 Ca 0.00 0.00 -0.45 0.00 -2.06 0.00 0.00 59.70 57.19 3fww h MET 19 Cb 0.09 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.74 3fww h MET 19 CO 0.00 0.00 -0.99 0.66 1.06 0.00 0.00 176.91 177.64 3fww n TYR 20 N -2.38 -1.76 -3.95 -0.22 4.02 -0.86 -4.88 117.16 107.13 3fww n TYR 20 Ca 0.03 0.69 -0.09 0.00 -0.01 0.00 0.00 57.90 58.51 3fww n TYR 20 Cb 0.47 -2.44 -0.10 0.00 -0.02 0.00 0.00 39.34 37.25 3fww n TYR 20 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 3fww s SER 21 N -2.94 0.20 0.00 7.72 0.15 -1.26 -5.01 113.70 112.55 3fww s SER 21 Ca 0.03 -0.49 0.25 0.00 0.70 0.00 0.00 55.95 56.45 3fww s SER 21 Cb -0.02 0.16 0.49 0.00 -1.71 0.00 0.00 66.02 64.94 3fww s SER 21 CO 0.81 -0.39 1.43 0.47 1.20 0.00 0.00 173.24 176.76 3fww n ASP 22 N 1.26 2.55 -4.58 5.45 8.00 -1.26 -4.88 116.55 123.09 3fww n ASP 22 Ca -0.22 -1.84 -0.34 0.00 0.71 0.00 0.00 54.79 53.10 3fww n ASP 22 Cb 0.56 -0.03 -0.11 0.00 -0.02 0.00 0.00 41.12 41.52 3fww n ASP 22 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3fww s LEU 23 N -1.92 3.54 0.10 0.64 2.96 -1.26 -5.06 118.68 117.68 3fww s LEU 23 Ca 0.32 -0.00 -0.36 0.00 -0.22 0.00 0.00 54.13 53.87 3fww s LEU 23 Cb 0.20 -1.87 -0.16 0.00 0.50 0.00 0.00 46.19 44.87 3fww s LEU 23 CO 0.31 0.20 1.42 -2.65 -1.32 0.00 0.00 176.35 174.31 3fww n PRO 24 N 3.35 1.44 -0.29 0.98 -0.02 -1.26 -4.84 135.00 134.35 3fww n PRO 24 Ca -0.17 0.52 0.02 0.00 -2.02 0.00 0.00 63.50 61.85 3fww n PRO 24 Cb 0.52 -2.20 0.10 0.00 -0.02 0.00 0.00 33.50 31.90 3fww n PRO 24 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 3fww h LYS 25 N 5.01 -0.01 0.00 -0.52 3.64 -1.93 -0.93 116.57 121.84 3fww h LYS 25 Ca -0.47 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 3fww h LYS 25 Cb 1.31 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.13 3fww h LYS 25 CO 0.81 -0.01 0.00 -0.39 -2.27 0.00 0.00 179.45 177.60 3fww h VAL 26 N -0.01 0.00 0.00 2.00 -1.51 -1.88 -0.88 116.25 113.97 3fww h VAL 26 Ca 0.39 -0.29 0.00 0.00 -1.23 0.00 0.00 66.70 65.57 3fww h VAL 26 Cb 0.60 1.13 0.00 0.00 -2.13 0.00 0.00 31.29 30.89 3fww h VAL 26 CO -0.85 0.00 0.00 -0.07 -1.23 0.00 0.00 177.57 175.42 3fww h LEU 27 N 0.00 0.00 -9.74 4.19 3.38 -1.52 -1.56 115.31 110.06 3fww h LEU 27 Ca 0.00 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.42 3fww h LEU 27 Cb 0.35 0.00 0.09 0.00 0.09 0.00 0.00 40.66 41.19 3fww h LEU 27 CO 0.00 0.00 0.78 1.41 0.09 0.00 0.00 178.44 180.72 3fww n HIS 28 N -2.73 2.63 -2.99 1.13 8.25 -0.34 -4.12 115.22 117.06 3fww n HIS 28 Ca 0.05 0.33 -0.35 0.00 -0.26 0.00 0.00 57.72 57.49 3fww n HIS 28 Cb 0.48 -2.54 -0.06 0.00 1.12 0.00 0.00 29.99 28.99 3fww n HIS 28 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 3fww s PRO 29 N -0.64 4.29 -0.12 -0.41 0.05 -1.26 -0.53 135.00 136.37 3fww s PRO 29 Ca 0.64 0.98 0.00 0.00 0.05 0.00 0.00 61.00 62.68 3fww s PRO 29 Cb -0.54 -2.68 0.02 0.00 0.05 0.00 0.00 34.50 31.35 3fww s PRO 29 CO 0.50 0.26 -0.11 -1.17 0.05 0.00 0.00 177.00 176.54 3fww s LEU 30 N -2.36 1.43 -1.52 -3.56 0.20 0.15 -4.64 118.68 108.38 3fww s LEU 30 Ca 0.50 -0.38 -0.12 0.00 0.69 0.00 0.00 54.13 54.82 3fww s LEU 30 Cb -0.15 -0.98 0.08 0.00 -0.43 0.00 0.00 46.19 44.71 3fww s LEU 30 CO 0.20 -0.08 0.89 0.00 -0.29 0.00 0.00 176.35 177.07 3fww n ALA 31 N 4.76 -1.42 -1.22 5.97 0.00 -1.26 -2.47 120.51 124.87 3fww n ALA 31 Ca -0.15 0.10 -0.08 0.00 0.00 0.00 0.00 53.44 53.31 3fww n ALA 31 Cb 0.50 -3.86 -0.03 0.00 0.00 0.00 0.00 19.45 16.06 3fww n ALA 31 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fww n GLY 32 N -1.66 0.97 3.04 0.00 0.00 -1.26 -4.37 105.19 101.92 3fww n GLY 32 Ca -0.02 -0.70 -0.13 0.00 0.00 0.00 0.00 46.02 45.18 3fww n GLY 32 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3fww s LYS 33 N -2.65 0.19 -0.12 1.61 0.00 -1.03 -4.99 119.74 112.75 3fww s LYS 33 Ca 0.00 0.25 -0.41 0.00 0.00 0.00 0.00 55.97 55.81 3fww s LYS 33 Cb 0.00 0.08 -0.19 0.00 0.00 0.00 0.00 37.83 37.72 3fww s LYS 33 CO 0.00 -0.03 1.31 -2.30 0.00 0.00 0.00 175.35 174.32 3fww n PRO 34 N 3.09 0.36 -0.29 1.78 -0.02 -1.26 0.31 135.00 138.97 3fww n PRO 34 Ca -0.14 0.13 0.10 0.00 -2.02 0.00 0.00 63.50 61.58 3fww n PRO 34 Cb 0.58 -1.68 0.21 0.00 -0.02 0.00 0.00 33.50 32.59 3fww n PRO 34 CO 0.00 0.00 0.00 -0.12 1.98 0.00 0.00 175.50 177.36 3fww n MET 35 N 2.64 -0.07 0.26 -0.52 1.56 0.31 0.26 117.12 121.56 3fww n MET 35 Ca 0.23 1.26 0.15 0.00 -0.27 0.00 0.00 57.70 59.07 3fww n MET 35 Cb 0.08 -1.97 0.64 0.00 2.15 0.00 0.00 33.22 34.12 3fww n MET 35 CO 0.00 0.00 0.00 -0.24 -0.73 0.00 0.00 175.97 175.00 3fww h VAL 36 N 0.00 0.24 0.00 1.12 3.04 -1.34 -2.62 116.25 116.70 3fww h VAL 36 Ca 0.47 -0.69 -0.21 0.00 -1.01 0.00 0.00 66.70 65.27 3fww h VAL 36 Cb 0.91 1.55 -0.01 0.00 -2.01 0.00 0.00 31.29 31.73 3fww h VAL 36 CO -0.81 0.08 -0.90 -0.61 -1.01 0.00 0.00 177.57 174.33 3fww h GLN 37 N 0.00 0.27 -0.80 4.17 5.75 -0.47 -0.97 115.11 123.05 3fww h GLN 37 Ca -0.00 -0.29 0.08 0.00 -0.15 0.00 0.00 58.65 58.29 3fww h GLN 37 Cb 0.55 0.08 -0.07 0.00 1.07 0.00 0.00 27.48 29.11 3fww h GLN 37 CO 0.01 1.00 0.46 0.45 -2.65 0.00 0.00 178.83 178.10 3fww h HIS 38 N 0.15 0.84 -0.30 3.99 3.86 -1.32 0.50 115.15 122.88 3fww h HIS 38 Ca -0.06 0.03 -0.12 0.00 -1.16 0.00 0.00 60.37 59.06 3fww h HIS 38 Cb 1.53 -0.26 -0.00 0.00 1.06 0.00 0.00 27.41 29.73 3fww h HIS 38 CO 0.04 0.37 -0.28 0.28 0.86 0.00 0.00 177.93 179.19 3fww h VAL 39 N 0.80 1.30 0.67 2.45 2.07 -1.46 -1.79 116.25 120.28 3fww h VAL 39 Ca 0.37 -1.45 -0.03 0.00 0.82 0.00 0.00 66.70 66.42 3fww h VAL 39 Cb 0.30 1.56 0.01 0.00 -1.52 0.00 0.00 31.29 31.63 3fww h VAL 39 CO -0.22 0.46 -0.32 0.40 0.02 0.00 0.00 177.57 177.91 3fww h ILE 40 N 0.46 0.33 -0.98 4.57 2.04 -0.74 -1.26 117.51 121.93 3fww h ILE 40 Ca 0.05 -0.05 0.15 0.00 1.00 0.00 0.00 64.86 66.01 3fww h ILE 40 Cb 0.85 0.34 -0.16 0.00 -0.74 0.00 0.00 36.82 37.12 3fww h ILE 40 CO 0.07 0.01 -0.40 0.47 0.00 0.00 0.00 178.15 178.30 3fww n ASP 41 N -5.47 -0.66 -0.10 1.72 10.43 0.17 -0.36 116.55 122.28 3fww n ASP 41 Ca -0.13 1.71 -0.07 0.00 2.57 0.00 0.00 54.79 58.87 3fww n ASP 41 Cb 0.37 -0.38 0.01 0.00 1.84 0.00 0.00 41.12 42.96 3fww n ASP 41 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3fww h ALA 42 N 1.30 0.41 -0.66 2.24 0.00 -1.17 -1.30 119.26 120.09 3fww h ALA 42 Ca 0.33 0.03 0.08 0.00 0.00 0.00 0.00 54.91 55.35 3fww h ALA 42 Cb 0.58 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.30 3fww h ALA 42 CO -0.97 -0.25 0.32 0.00 0.00 0.00 0.00 179.25 178.35 3fww h ALA 43 N 1.21 0.88 -0.83 0.00 0.00 0.48 -0.70 119.26 120.31 3fww h ALA 43 Ca 0.16 0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.17 3fww h ALA 43 Cb 0.11 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 17.79 3fww h ALA 43 CO -0.14 -0.06 0.51 0.52 0.00 0.00 0.00 179.25 180.08 3fww h MET 44 N 0.57 0.91 0.00 0.00 2.07 -0.17 -1.50 114.93 116.82 3fww h MET 44 Ca 0.32 -0.05 0.00 0.00 -2.07 0.00 0.00 59.70 57.89 3fww h MET 44 Cb 0.30 -0.20 0.00 0.00 -1.87 0.00 0.00 31.60 29.83 3fww h MET 44 CO -0.24 0.60 0.00 0.87 1.07 0.00 0.00 176.91 179.21 3fww h LYS 45 N 0.93 0.00 0.00 1.72 1.57 -0.01 -2.17 116.57 118.61 3fww h LYS 45 Ca 0.36 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 59.05 3fww h LYS 45 Cb 0.16 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 3fww h LYS 45 CO -0.17 0.00 -0.45 -0.07 -0.57 0.00 0.00 179.45 178.19 3fww h LEU 46 N 0.00 0.00 0.00 2.94 4.07 -0.39 -3.47 115.31 118.46 3fww h LEU 46 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 3fww h LEU 46 Cb 0.41 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.15 3fww h LEU 46 CO 0.00 0.45 0.00 0.61 -1.08 0.00 0.00 178.44 178.42 3fww n GLY 47 N 0.88 0.88 3.07 0.83 0.00 -0.82 -5.01 105.19 105.02 3fww n GLY 47 Ca 0.01 0.00 -0.56 0.00 0.00 0.00 0.00 46.02 45.47 3fww n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fww n ALA 48 N -1.84 -0.56 -0.01 4.61 0.00 -0.91 -4.80 120.51 116.98 3fww n ALA 48 Ca 0.00 0.31 -0.13 0.00 0.00 0.00 0.00 53.44 53.62 3fww n ALA 48 Cb 0.00 -1.74 -0.01 0.00 0.00 0.00 0.00 19.45 17.70 3fww n ALA 48 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 3fww h GLN 49 N 5.94 0.67 -4.08 0.00 4.20 -1.12 -3.45 115.11 117.26 3fww h GLN 49 Ca -0.25 -0.48 -0.17 0.00 0.06 0.00 0.00 58.65 57.81 3fww h GLN 49 Cb 1.21 0.08 -0.20 0.00 0.30 0.00 0.00 27.48 28.87 3fww h GLN 49 CO 0.90 1.10 -0.70 -1.01 -0.67 0.00 0.00 178.83 178.45 3fww s HIS 50 N -3.88 0.34 -0.16 2.96 3.76 -1.26 -5.06 115.29 111.99 3fww s HIS 50 Ca -0.09 -0.61 0.00 0.00 -0.15 0.00 0.00 55.06 54.22 3fww s HIS 50 Cb 0.10 -0.24 0.03 0.00 1.11 0.00 0.00 32.58 33.58 3fww s HIS 50 CO 0.87 -0.21 -0.13 0.08 -0.85 0.00 0.00 174.74 174.51 3fww s VAL 51 N -1.85 1.57 -0.24 -0.90 1.01 -1.26 -2.07 120.40 116.65 3fww s VAL 51 Ca -0.12 -0.72 -0.08 0.00 0.00 0.00 0.00 61.98 61.06 3fww s VAL 51 Cb -0.07 -1.52 -0.03 0.00 0.00 0.00 0.00 36.38 34.75 3fww s VAL 51 CO -0.02 0.37 0.09 -1.00 0.00 0.00 0.00 175.10 174.54 3fww s HIS 52 N 1.47 3.13 -0.26 5.22 3.76 -0.24 -1.89 115.29 126.48 3fww s HIS 52 Ca 0.03 -0.24 -0.05 0.00 -0.15 0.00 0.00 55.06 54.66 3fww s HIS 52 Cb -0.14 -2.23 0.01 0.00 1.11 0.00 0.00 32.58 31.33 3fww s HIS 52 CO -0.10 -0.23 0.02 -1.17 -0.85 0.00 0.00 174.74 172.40 3fww s LEU 53 N 1.41 3.46 -0.27 0.89 0.20 -0.67 -0.60 118.68 123.10 3fww s LEU 53 Ca 0.06 -0.67 -0.11 0.00 0.69 0.00 0.00 54.13 54.10 3fww s LEU 53 Cb -0.15 -1.79 -0.05 0.00 -0.43 0.00 0.00 46.19 43.77 3fww s LEU 53 CO 0.04 -0.13 0.18 -0.69 -0.29 0.00 0.00 176.35 175.46 3fww s VAL 54 N 1.45 5.28 0.05 1.68 1.01 -0.52 -0.87 120.40 128.48 3fww s VAL 54 Ca 0.03 0.16 0.02 0.00 0.00 0.00 0.00 61.98 62.19 3fww s VAL 54 Cb -0.16 -3.50 -0.03 0.00 0.00 0.00 0.00 36.38 32.69 3fww s VAL 54 CO -0.01 0.28 -0.08 -0.72 0.00 0.00 0.00 175.10 174.58 3fww s TYR 55 N 1.55 0.74 0.00 5.22 -0.85 -1.00 -1.43 117.35 121.58 3fww s TYR 55 Ca 0.07 -0.56 0.00 0.00 -0.52 0.00 0.00 57.07 56.06 3fww s TYR 55 Cb -0.15 -0.44 0.00 0.00 0.38 0.00 0.00 41.96 41.75 3fww s TYR 55 CO 0.09 -0.09 0.00 0.41 -1.52 0.00 0.00 175.55 174.44 3fww n GLY 56 N 1.21 -0.04 3.93 5.49 0.00 -1.25 -2.58 105.19 111.94 3fww n GLY 56 Ca -0.21 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.55 3fww n GLY 56 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3fww s HIS 57 N 0.78 2.96 0.00 1.61 3.76 -1.26 -4.20 115.29 118.94 3fww s HIS 57 Ca 0.00 0.48 0.00 0.00 -0.15 0.00 0.00 55.06 55.39 3fww s HIS 57 Cb 0.00 -3.14 0.00 0.00 1.11 0.00 0.00 32.58 30.55 3fww s HIS 57 CO 0.00 -1.34 0.00 0.41 -0.85 0.00 0.00 174.74 172.96 3fww n GLY 58 N -2.88 0.84 0.20 -2.22 0.00 -1.26 -4.97 105.19 94.89 3fww n GLY 58 Ca 0.08 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.04 3fww n GLY 58 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3fww h GLY 59 N 0.00 -1.84 0.36 -0.02 0.00 -1.96 -1.67 103.07 97.96 3fww h GLY 59 Ca 0.00 0.99 -0.00 0.00 0.00 0.00 0.00 47.33 48.32 3fww h GLY 59 CO 0.00 -0.53 -0.52 -2.09 0.00 0.00 0.00 176.54 173.40 3fww h GLU 60 N -0.01 -0.88 0.00 4.80 4.81 -1.95 -0.60 114.58 120.75 3fww h GLU 60 Ca 0.07 0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.36 3fww h GLU 60 Cb 0.20 0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.78 3fww h GLU 60 CO -0.43 -0.59 0.00 1.47 -0.73 0.00 0.00 179.01 178.73 3fww n LEU 61 N -5.54 0.00 0.12 1.64 -0.00 -1.20 -0.85 117.00 111.18 3fww n LEU 61 Ca -0.11 0.16 -0.07 0.00 -0.00 0.00 0.00 56.01 55.99 3fww n LEU 61 Cb 0.45 -0.16 -0.04 0.00 -0.00 0.00 0.00 43.42 43.66 3fww n LEU 61 CO 0.22 -0.04 0.21 0.25 -0.00 0.00 0.00 177.39 178.03 3fww h LEU 62 N 0.00 -0.34 -1.95 1.47 5.85 -0.14 -0.29 115.31 119.92 3fww h LEU 62 Ca 0.00 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.67 3fww h LEU 62 Cb 0.12 0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.24 3fww h LEU 62 CO 0.00 0.13 0.00 0.07 -0.34 0.00 0.00 178.44 178.30 3fww h LYS 63 N -1.08 0.00 0.06 1.25 2.10 -1.01 -0.32 116.57 117.56 3fww h LYS 63 Ca -0.04 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.61 3fww h LYS 63 Cb 0.37 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.70 3fww h LYS 63 CO 0.07 0.00 -0.03 -0.22 -2.00 0.00 0.00 179.45 177.27 3fww h LYS 64 N 0.00 -0.07 0.00 0.07 3.11 -1.04 -3.33 116.57 115.31 3fww h LYS 64 Ca 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 3fww h LYS 64 Cb 0.31 0.02 0.00 0.00 -1.00 0.00 0.00 32.23 31.55 3fww h LYS 64 CO 0.00 -0.05 0.11 1.79 -2.81 0.00 0.00 179.45 178.49 3fww h THR 65 N -0.30 0.00 -3.52 1.00 1.35 -0.97 -2.78 112.91 107.69 3fww h THR 65 Ca -0.01 0.00 -0.69 0.00 -0.55 0.00 0.00 66.41 65.16 3fww h THR 65 Cb 0.06 0.59 -0.36 0.00 -1.73 0.00 0.00 68.15 66.70 3fww h THR 65 CO 0.01 0.00 -0.38 -0.76 -0.25 0.00 0.00 175.52 174.14 3fww s LEU 66 N -4.98 5.14 0.00 3.87 1.43 -0.14 -5.00 118.68 118.99 3fww s LEU 66 Ca -0.03 -2.93 0.00 0.00 -1.03 0.00 0.00 54.13 50.14 3fww s LEU 66 Cb 0.08 -1.83 0.00 0.00 0.03 0.00 0.00 46.19 44.47 3fww s LEU 66 CO 0.24 -0.34 0.11 0.00 0.23 0.00 0.00 176.35 176.59 3fww n ALA 67 N 3.36 0.00 -3.99 4.21 0.00 -1.05 -4.57 120.51 118.46 3fww n ALA 67 Ca 0.08 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.15 3fww n ALA 67 Cb 0.37 0.03 0.00 0.00 0.00 0.00 0.00 19.45 19.85 3fww n ALA 67 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3fww n ASP 68 N -0.17 -3.14 0.00 0.00 9.92 -1.26 -4.73 116.55 117.17 3fww n ASP 68 Ca 0.00 -1.18 0.00 0.00 -0.53 0.00 0.00 54.79 53.08 3fww n ASP 68 Cb 0.00 -2.30 0.00 0.00 -0.64 0.00 0.00 41.12 38.18 3fww n ASP 68 CO 0.00 0.00 0.00 -2.65 0.13 0.00 0.00 177.20 174.68 3fww n PRO 69 N -4.67 0.00 0.00 -0.24 -0.02 -1.26 -1.71 135.00 127.10 3fww n PRO 69 Ca -0.17 0.08 0.13 0.00 -2.02 0.00 0.00 63.50 61.52 3fww n PRO 69 Cb 0.61 -1.51 0.45 0.00 -0.02 0.00 0.00 33.50 33.03 3fww n PRO 69 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3fww n SER 70 N -1.04 0.23 -4.86 2.55 3.41 -1.26 -4.93 113.62 107.73 3fww n SER 70 Ca 0.00 0.17 -0.32 0.00 -0.26 0.00 0.00 58.87 58.46 3fww n SER 70 Cb 0.01 -0.16 -0.05 0.00 -0.26 0.00 0.00 64.21 63.74 3fww n SER 70 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3fww s LEU 71 N -3.02 4.01 -0.46 1.04 1.43 -0.69 -4.78 118.68 116.20 3fww s LEU 71 Ca 0.13 1.23 -0.10 0.00 -1.03 0.00 0.00 54.13 54.36 3fww s LEU 71 Cb 0.18 -4.06 0.10 0.00 0.03 0.00 0.00 46.19 42.45 3fww s LEU 71 CO 0.61 -0.25 0.34 0.21 0.23 0.00 0.00 176.35 177.48 3fww s ASN 72 N -2.50 5.76 0.37 2.29 3.84 -0.79 -5.05 114.94 118.85 3fww s ASN 72 Ca 0.53 -1.72 -0.25 0.00 0.21 0.00 0.00 52.86 51.63 3fww s ASN 72 Cb -0.10 -2.04 -0.10 0.00 -0.55 0.00 0.00 41.25 38.47 3fww s ASN 72 CO 0.21 -0.66 0.99 0.26 -2.79 0.00 0.00 177.10 175.12 3fww s TRP 73 N 1.43 3.46 -0.20 0.43 0.52 -1.26 -1.67 118.94 121.64 3fww s TRP 73 Ca 0.04 1.70 -0.03 0.00 0.02 0.00 0.00 56.10 57.84 3fww s TRP 73 Cb -0.25 -3.01 0.06 0.00 -1.15 0.00 0.00 33.47 29.12 3fww s TRP 73 CO 0.01 -0.20 0.04 0.08 0.02 0.00 0.00 176.95 176.90 3fww s VAL 74 N -1.69 0.48 1.01 4.03 1.01 -0.05 -4.87 120.40 120.32 3fww s VAL 74 Ca 0.55 -0.57 -0.12 0.00 0.00 0.00 0.00 61.98 61.83 3fww s VAL 74 Cb -0.19 -1.03 0.19 0.00 0.00 0.00 0.00 36.38 35.35 3fww s VAL 74 CO 0.25 -0.25 1.08 -0.76 0.00 0.00 0.00 175.10 175.42 3fww s LEU 75 N 1.87 1.63 -0.20 3.92 1.02 -1.26 -2.37 118.68 123.29 3fww s LEU 75 Ca -0.00 1.37 -0.10 0.00 0.02 0.00 0.00 54.13 55.42 3fww s LEU 75 Cb -0.17 -3.56 0.07 0.00 0.02 0.00 0.00 46.19 42.56 3fww s LEU 75 CO -0.09 -3.25 0.46 -1.58 0.02 0.00 0.00 176.35 171.90 3fww s GLN 76 N -4.84 0.43 0.00 1.70 0.74 -1.06 -4.77 119.66 111.85 3fww s GLN 76 Ca 0.66 0.93 0.00 0.00 0.05 0.00 0.00 55.36 56.99 3fww s GLN 76 Cb -0.20 0.11 0.00 0.00 1.10 0.00 0.00 33.01 34.02 3fww s GLN 76 CO 0.59 -0.18 0.26 0.00 -0.55 0.00 0.00 175.29 175.41 3fww n ALA 77 N 4.57 0.00 -2.70 1.58 0.00 -1.26 -4.60 120.51 118.10 3fww n ALA 77 Ca -0.19 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.21 3fww n ALA 77 Cb 0.54 0.13 0.03 0.00 0.00 0.00 0.00 19.45 20.16 3fww n ALA 77 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3fww n GLU 78 N -0.73 0.29 -1.16 0.00 4.71 -1.26 -4.94 120.64 117.55 3fww n GLU 78 Ca 0.00 -1.23 0.00 0.00 -0.01 0.00 0.00 57.16 55.92 3fww n GLU 78 Cb 0.00 -0.51 0.00 0.00 -1.01 0.00 0.00 31.44 29.92 3fww n GLU 78 CO 0.00 0.00 0.00 1.04 0.09 0.00 0.00 177.13 178.26 3fww n GLN 79 N 2.52 -0.28 0.00 3.49 3.00 -1.26 -4.89 117.38 119.96 3fww n GLN 79 Ca 0.12 0.34 0.00 0.00 -0.01 0.00 0.00 57.00 57.45 3fww n GLN 79 Cb 0.63 -0.29 0.00 0.00 0.00 0.00 0.00 30.24 30.58 3fww n GLN 79 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 3fww n LEU 80 N 1.19 0.18 0.00 1.08 4.77 -1.26 -5.07 117.00 117.89 3fww n LEU 80 Ca 0.00 -0.26 0.00 0.00 -0.03 0.00 0.00 56.01 55.72 3fww n LEU 80 Cb 0.07 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 3fww n LEU 80 CO 0.00 0.05 0.00 0.61 -1.33 0.00 0.00 177.39 176.72 3fww n GLY 81 N 0.15 0.99 0.24 -0.72 0.00 -1.26 -4.01 105.19 100.58 3fww n GLY 81 Ca 0.00 0.50 0.04 0.00 0.00 0.00 0.00 46.02 46.55 3fww n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fww h THR 82 N 0.00 1.15 -0.04 2.61 1.03 -1.96 0.80 112.91 116.49 3fww h THR 82 Ca 0.00 -0.67 -0.24 0.00 -0.01 0.00 0.00 66.41 65.48 3fww h THR 82 Cb 0.00 1.20 0.01 0.00 -1.07 0.00 0.00 68.15 68.29 3fww h THR 82 CO 0.00 0.21 -0.94 1.23 -0.01 0.00 0.00 175.52 176.01 3fww h GLY 83 N 0.64 0.71 0.79 2.99 0.00 -1.81 -2.81 103.07 103.59 3fww h GLY 83 Ca 0.04 -1.17 0.04 0.00 0.00 0.00 0.00 47.33 46.24 3fww h GLY 83 CO 0.02 1.04 0.34 0.84 0.00 0.00 0.00 176.54 178.78 3fww h HIS 84 N 0.39 0.64 -0.28 5.60 6.17 -1.00 -0.16 115.15 126.51 3fww h HIS 84 Ca -0.09 0.02 0.06 0.00 0.71 0.00 0.00 60.37 61.07 3fww h HIS 84 Cb 1.57 -0.20 -0.06 0.00 2.52 0.00 0.00 27.41 31.24 3fww h HIS 84 CO 0.09 0.34 -0.11 0.00 0.71 0.00 0.00 177.93 178.95 3fww h ALA 85 N 1.29 0.12 0.00 5.26 0.00 0.45 -0.41 119.26 125.97 3fww h ALA 85 Ca 0.25 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.27 3fww h ALA 85 Cb 0.09 0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3fww h ALA 85 CO -0.13 -0.51 0.00 0.52 0.00 0.00 0.00 179.25 179.12 3fww h MET 86 N -0.07 0.00 -0.10 0.00 2.86 -0.98 -0.58 114.93 116.07 3fww h MET 86 Ca 0.14 0.00 -0.23 0.00 -2.06 0.00 0.00 59.70 57.55 3fww h MET 86 Cb 0.28 0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.95 3fww h MET 86 CO -0.32 0.00 -0.86 1.96 1.06 0.00 0.00 176.91 178.75 3fww h GLN 87 N 0.00 0.72 0.00 1.72 4.20 0.62 -2.97 115.11 119.40 3fww h GLN 87 Ca 0.00 -0.64 -0.01 0.00 0.06 0.00 0.00 58.65 58.05 3fww h GLN 87 Cb 0.11 0.15 -0.00 0.00 0.30 0.00 0.00 27.48 28.04 3fww h GLN 87 CO 0.00 1.24 -0.07 1.96 -0.67 0.00 0.00 178.83 181.30 3fww h GLN 88 N 0.46 0.00 -0.01 1.46 1.08 -0.50 -0.58 115.11 117.03 3fww h GLN 88 Ca -0.07 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.13 3fww h GLN 88 Cb 1.49 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.92 3fww h GLN 88 CO 0.17 0.07 -0.67 0.00 -0.95 0.00 0.00 178.83 177.45 3fww n ALA 89 N -2.43 4.00 -0.09 3.87 0.00 -1.21 -4.56 120.51 120.09 3fww n ALA 89 Ca -0.03 -0.61 -0.06 0.00 0.00 0.00 0.00 53.44 52.74 3fww n ALA 89 Cb 0.15 -0.80 0.01 0.00 0.00 0.00 0.00 19.45 18.81 3fww n ALA 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3fww h ALA 90 N 3.52 0.35 0.00 0.00 0.00 -0.92 0.59 119.26 122.80 3fww h ALA 90 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3fww h ALA 90 Cb 0.65 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.52 3fww h ALA 90 CO 0.00 -0.34 0.00 -0.35 0.00 0.00 0.00 179.25 178.56 3fww n PRO 91 N -5.09 0.11 -0.03 0.00 -0.04 -1.26 -2.03 135.00 126.67 3fww n PRO 91 Ca 0.01 0.13 0.12 0.00 -0.04 0.00 0.00 63.50 63.72 3fww n PRO 91 Cb 0.15 -1.50 0.15 0.00 -0.04 0.00 0.00 33.50 32.26 3fww n PRO 91 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 3fww n HIS 92 N -1.16 0.07 -3.45 0.54 8.25 0.20 -4.91 115.22 114.76 3fww n HIS 92 Ca 0.03 -0.04 -0.39 0.00 -0.26 0.00 0.00 57.72 57.06 3fww n HIS 92 Cb 0.03 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.04 3fww n HIS 92 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 3fww s PHE 93 N -1.93 3.23 0.33 4.41 2.99 -0.86 -5.06 117.98 121.10 3fww s PHE 93 Ca 0.30 0.17 -0.29 0.00 0.00 0.00 0.00 56.93 57.11 3fww s PHE 93 Cb 0.20 -2.55 -0.11 0.00 0.00 0.00 0.00 43.02 40.57 3fww s PHE 93 CO 0.30 -0.28 1.40 0.00 -0.00 0.00 0.00 175.22 176.64 3fww s ALA 94 N 1.96 3.55 0.28 5.36 0.00 -1.26 -4.73 121.76 126.92 3fww s ALA 94 Ca 0.11 1.39 0.36 0.00 0.00 0.00 0.00 51.96 53.83 3fww s ALA 94 Cb -0.16 -3.54 1.64 0.00 0.00 0.00 0.00 23.12 21.06 3fww s ALA 94 CO 0.11 -0.82 2.09 -0.44 0.00 0.00 0.00 175.76 176.70 3fww h ASP 95 N 3.52 0.00 0.04 0.00 3.32 -1.97 -2.70 116.42 118.64 3fww h ASP 95 Ca -0.49 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.56 3fww h ASP 95 Cb 1.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.78 3fww h ASP 95 CO 0.67 0.02 -0.13 -0.90 -1.72 0.00 0.00 179.24 177.18 3fww n ASP 96 N -3.14 1.78 -4.57 6.45 3.85 -1.26 -3.11 116.55 116.55 3fww n ASP 96 Ca -0.01 -1.46 -0.31 0.00 -0.71 0.00 0.00 54.79 52.30 3fww n ASP 96 Cb 0.24 0.10 -0.11 0.00 -1.35 0.00 0.00 41.12 40.01 3fww n ASP 96 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 177.20 174.36 3fww s GLU 97 N -2.19 2.39 0.41 0.11 -1.05 -1.02 -4.70 118.70 112.66 3fww s GLU 97 Ca 0.30 -0.83 -0.24 0.00 -0.15 0.00 0.00 54.97 54.05 3fww s GLU 97 Cb 0.20 -2.41 -0.08 0.00 -0.44 0.00 0.00 34.13 31.39 3fww s GLU 97 CO 0.40 0.57 1.10 -0.51 0.95 0.00 0.00 175.26 177.77 3fww s ASP 98 N -1.62 6.59 -0.23 0.83 1.01 -0.87 -0.03 116.67 122.34 3fww s ASP 98 Ca 0.18 2.15 0.01 0.00 0.71 0.00 0.00 52.55 55.61 3fww s ASP 98 Cb -0.11 -2.59 0.05 0.00 1.01 0.00 0.00 42.92 41.28 3fww s ASP 98 CO 0.09 -0.61 -0.09 -0.63 0.21 0.00 0.00 175.17 174.14 3fww s ILE 99 N -1.58 1.75 -0.04 0.77 -1.09 0.01 -0.15 121.20 120.87 3fww s ILE 99 Ca 0.59 -1.25 -0.06 0.00 -2.23 0.00 0.00 60.65 57.69 3fww s ILE 99 Cb -0.25 -1.90 -0.04 0.00 -1.58 0.00 0.00 42.46 38.69 3fww s ILE 99 CO 0.31 0.02 0.21 -0.22 -1.23 0.00 0.00 174.94 174.04 3fww s LEU 100 N 1.32 4.38 -0.20 2.97 0.20 0.17 -3.24 118.68 124.28 3fww s LEU 100 Ca -0.05 0.49 -0.03 0.00 0.69 0.00 0.00 54.13 55.23 3fww s LEU 100 Cb -0.18 -2.46 -0.01 0.00 -0.43 0.00 0.00 46.19 43.11 3fww s LEU 100 CO -0.07 0.31 -0.06 -0.32 -0.29 0.00 0.00 176.35 175.92 3fww s MET 101 N -1.54 3.39 0.24 1.98 -2.45 -0.58 -0.35 119.30 119.98 3fww s MET 101 Ca 0.23 -0.63 0.05 0.00 -1.25 0.00 0.00 55.69 54.09 3fww s MET 101 Cb -0.13 -2.95 -0.05 0.00 1.25 0.00 0.00 34.83 32.95 3fww s MET 101 CO 0.13 -0.12 -0.04 -0.51 1.05 0.00 0.00 175.02 175.53 3fww s LEU 102 N 1.27 2.35 -0.09 4.11 1.43 0.64 -3.65 118.68 124.74 3fww s LEU 102 Ca 0.03 -1.18 0.03 0.00 -1.03 0.00 0.00 54.13 51.98 3fww s LEU 102 Cb -0.14 -0.43 -0.01 0.00 0.03 0.00 0.00 46.19 45.63 3fww s LEU 102 CO -0.02 -0.42 -0.18 -0.31 0.23 0.00 0.00 176.35 175.65 3fww s TYR 103 N -3.24 2.65 0.57 0.29 2.02 -1.26 -0.06 117.35 118.31 3fww s TYR 103 Ca 0.27 -0.63 0.39 0.00 -0.37 0.00 0.00 57.07 56.73 3fww s TYR 103 Cb 0.04 -1.72 2.12 0.00 -0.40 0.00 0.00 41.96 42.00 3fww s TYR 103 CO 0.09 -0.17 2.28 0.78 -1.57 0.00 0.00 175.55 176.97 3fww h GLY 104 N 6.27 0.00 -3.27 0.71 0.00 -1.10 -1.98 103.07 103.70 3fww h GLY 104 Ca -0.30 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.03 3fww h GLY 104 CO 0.51 0.00 0.00 2.09 0.00 0.00 0.00 176.54 179.14 3fww n ASP 105 N -3.27 5.44 -3.63 0.19 5.75 -1.26 -3.51 116.55 116.25 3fww n ASP 105 Ca -0.02 -2.90 -0.27 0.00 -0.01 0.00 0.00 54.79 51.59 3fww n ASP 105 Cb 0.12 -0.66 -0.10 0.00 -1.03 0.00 0.00 41.12 39.45 3fww n ASP 105 CO 0.00 0.00 0.00 0.52 -0.11 0.00 0.00 177.20 177.61 3fww n VAL 106 N 0.54 1.78 0.29 2.12 0.31 -0.75 -0.91 118.33 121.70 3fww n VAL 106 Ca 0.27 -4.95 0.16 0.00 -0.01 0.00 0.00 64.34 59.81 3fww n VAL 106 Cb 1.13 -2.12 0.56 0.00 -0.91 0.00 0.00 33.84 32.50 3fww n VAL 106 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 3fww h PRO 107 N 4.77 0.00 -0.19 5.55 0.13 -1.80 -3.29 132.00 137.17 3fww h PRO 107 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 3fww h PRO 107 Cb 0.72 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.85 3fww h PRO 107 CO 0.75 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.80 3fww n LEU 108 N -2.98 2.50 -4.64 1.56 4.77 -1.26 -4.52 117.00 112.42 3fww n LEU 108 Ca 0.02 -0.98 -0.43 0.00 -0.03 0.00 0.00 56.01 54.58 3fww n LEU 108 Cb 0.35 -0.11 -0.03 0.00 -2.33 0.00 0.00 43.42 41.29 3fww n LEU 108 CO 0.28 0.49 1.66 0.00 -1.33 0.00 0.00 177.39 178.49 3fww n ILE 109 N 0.89 0.63 -2.13 -0.08 0.13 -1.00 -4.50 119.36 113.30 3fww n ILE 109 Ca 0.17 -0.22 -0.32 0.00 -1.10 0.00 0.00 62.75 61.29 3fww n ILE 109 Cb 0.48 -2.31 -0.01 0.00 -0.84 0.00 0.00 39.64 36.96 3fww n ILE 109 CO 0.00 0.00 0.00 -0.94 2.80 0.00 0.00 176.55 178.41 3fww s SER 110 N 5.44 6.32 0.16 9.51 1.04 -1.26 -4.98 113.70 129.93 3fww s SER 110 Ca 0.93 1.55 -0.13 0.00 0.48 0.00 0.00 55.95 58.77 3fww s SER 110 Cb -0.45 -2.50 0.04 0.00 0.10 0.00 0.00 66.02 63.21 3fww s SER 110 CO 0.42 -0.80 1.70 0.58 0.98 0.00 0.00 173.24 176.12 3fww h VAL 111 N 0.34 1.23 -0.78 5.02 2.07 -1.93 -2.84 116.25 119.36 3fww h VAL 111 Ca -0.46 -0.73 0.11 0.00 0.82 0.00 0.00 66.70 66.44 3fww h VAL 111 Cb 1.19 0.71 -0.08 0.00 -1.52 0.00 0.00 31.29 31.59 3fww h VAL 111 CO 0.61 0.28 0.39 0.44 0.02 0.00 0.00 177.57 179.31 3fww h ASP 112 N 0.72 0.50 0.15 0.57 3.32 -1.93 1.35 116.42 121.08 3fww h ASP 112 Ca 0.17 0.07 -0.11 0.00 0.02 0.00 0.00 57.03 57.19 3fww h ASP 112 Cb 0.24 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 3fww h ASP 112 CO -0.01 0.25 -0.39 0.74 -1.72 0.00 0.00 179.24 178.12 3fww h THR 113 N 0.62 1.30 0.21 0.35 2.02 -1.89 -1.45 112.91 114.07 3fww h THR 113 Ca 0.40 -1.49 -0.28 0.00 0.77 0.00 0.00 66.41 65.81 3fww h THR 113 Cb 0.48 1.62 0.03 0.00 -1.74 0.00 0.00 68.15 68.54 3fww h THR 113 CO -0.31 0.45 -1.22 -0.07 0.37 0.00 0.00 175.52 174.74 3fww h LEU 114 N 0.28 0.72 -2.28 2.58 3.38 -0.99 -2.58 115.31 116.42 3fww h LEU 114 Ca 0.03 -0.92 -0.03 0.00 0.09 0.00 0.00 57.88 57.04 3fww h LEU 114 Cb 0.81 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 3fww h LEU 114 CO 0.06 1.59 0.04 1.67 0.09 0.00 0.00 178.44 181.90 3fww n GLN 115 N -3.88 1.08 0.00 1.13 -0.06 0.45 -1.13 117.38 114.98 3fww n GLN 115 Ca -0.16 -0.19 0.00 0.00 -2.00 0.00 0.00 57.00 54.66 3fww n GLN 115 Cb 0.99 -1.07 0.00 0.00 -4.06 0.00 0.00 30.24 26.10 3fww n GLN 115 CO 0.00 0.00 0.00 0.54 -0.20 0.00 0.00 177.06 177.40 3fww n ARG 116 N 0.55 0.00 -0.33 3.69 1.74 -0.56 -4.71 116.66 117.04 3fww n ARG 116 Ca 0.04 0.00 0.12 0.00 -0.77 0.00 0.00 57.85 57.24 3fww n ARG 116 Cb 0.56 -0.82 0.33 0.00 -1.02 0.00 0.00 32.46 31.51 3fww n ARG 116 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 3fww h LEU 117 N 0.00 0.76 0.00 0.55 5.85 -0.93 0.14 115.31 121.68 3fww h LEU 117 Ca 0.00 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.79 3fww h LEU 117 Cb 0.78 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.73 3fww h LEU 117 CO 0.00 0.33 0.00 0.18 -0.34 0.00 0.00 178.44 178.61 3fww n LEU 118 N -4.66 0.00 -0.09 2.25 4.77 -0.28 -2.95 117.00 116.04 3fww n LEU 118 Ca 0.21 0.37 -0.08 0.00 -0.03 0.00 0.00 56.01 56.47 3fww n LEU 118 Cb 0.51 -0.37 -0.15 0.00 -2.33 0.00 0.00 43.42 41.09 3fww n LEU 118 CO 0.25 -0.00 -1.09 0.00 -1.33 0.00 0.00 177.39 175.22 3fww n ALA 119 N -1.37 1.59 0.68 -1.18 0.00 0.31 -4.31 120.51 116.23 3fww n ALA 119 Ca 0.11 -1.20 0.06 0.00 0.00 0.00 0.00 53.44 52.42 3fww n ALA 119 Cb 0.28 -0.17 0.18 0.00 0.00 0.00 0.00 19.45 19.74 3fww n ALA 119 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3fww n ALA 120 N -2.67 2.52 -2.48 0.00 0.00 -0.23 -4.84 120.51 112.82 3fww n ALA 120 Ca -0.29 -0.72 -0.43 0.00 0.00 0.00 0.00 53.44 52.00 3fww n ALA 120 Cb 1.08 -0.98 -0.02 0.00 0.00 0.00 0.00 19.45 19.53 3fww n ALA 120 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 3fww s LYS 121 N -1.53 4.15 -0.02 0.00 2.20 -1.15 -4.49 119.74 118.90 3fww s LYS 121 Ca 0.26 1.47 -0.30 0.00 -0.36 0.00 0.00 55.97 57.04 3fww s LYS 121 Cb 0.14 -3.77 -0.04 0.00 -1.51 0.00 0.00 37.83 32.65 3fww s LYS 121 CO 0.17 -0.81 1.23 -2.14 -0.36 0.00 0.00 175.35 173.44 3fww s PRO 122 N 3.63 4.36 -0.09 4.03 0.02 -1.26 -4.95 135.00 140.74 3fww s PRO 122 Ca 0.53 1.74 -0.39 0.00 0.02 0.00 0.00 61.00 62.90 3fww s PRO 122 Cb -0.19 -3.52 -0.19 0.00 0.02 0.00 0.00 34.50 30.63 3fww s PRO 122 CO 0.15 -0.43 1.09 0.39 -0.33 0.00 0.00 177.00 177.88 3fww n GLU 123 N 4.97 0.00 -3.45 5.54 -0.58 -1.26 -0.26 120.64 125.60 3fww n GLU 123 Ca 0.11 0.00 -0.18 0.00 -0.42 0.00 0.00 57.16 56.67 3fww n GLU 123 Cb 0.46 -1.40 0.07 0.00 -0.57 0.00 0.00 31.44 30.00 3fww n GLU 123 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3fww n GLY 124 N 1.85 -0.57 0.71 0.62 0.00 -1.26 -4.89 105.19 101.65 3fww n GLY 124 Ca 0.21 0.24 -0.01 0.00 0.00 0.00 0.00 46.02 46.46 3fww n GLY 124 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fww n GLY 125 N -1.26 1.27 3.53 -0.02 0.00 0.64 -4.67 105.19 104.67 3fww n GLY 125 Ca -0.23 -0.98 -0.34 0.00 0.00 0.00 0.00 46.02 44.48 3fww n GLY 125 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3fww s ILE 126 N -2.53 3.78 -0.27 -0.61 1.01 -1.25 -4.11 121.20 117.22 3fww s ILE 126 Ca 0.04 -0.42 -0.13 0.00 0.00 0.00 0.00 60.65 60.14 3fww s ILE 126 Cb -0.01 -2.61 -0.04 0.00 0.01 0.00 0.00 42.46 39.81 3fww s ILE 126 CO 0.01 0.54 0.28 -0.83 0.00 0.00 0.00 174.94 174.94 3fww s GLY 127 N -0.12 1.92 -0.14 6.18 0.00 -1.18 -1.79 107.32 112.19 3fww s GLY 127 Ca 0.02 -0.93 0.02 0.00 0.00 0.00 0.00 44.72 43.83 3fww s GLY 127 CO 0.03 0.78 -0.19 -2.27 0.00 0.00 0.00 173.10 171.44 3fww s LEU 128 N 1.81 1.98 0.05 0.66 2.96 -0.16 0.78 118.68 126.76 3fww s LEU 128 Ca 0.11 -0.56 -0.30 0.00 -0.22 0.00 0.00 54.13 53.16 3fww s LEU 128 Cb -0.16 -1.34 -0.04 0.00 0.50 0.00 0.00 46.19 45.15 3fww s LEU 128 CO 0.10 0.04 1.01 -0.22 -1.32 0.00 0.00 176.35 175.96 3fww s LEU 129 N 0.97 4.41 0.07 -0.68 2.96 -0.60 -2.30 118.68 123.52 3fww s LEU 129 Ca -0.04 1.76 0.00 0.00 -0.22 0.00 0.00 54.13 55.63 3fww s LEU 129 Cb -0.15 -3.58 -0.04 0.00 0.50 0.00 0.00 46.19 42.92 3fww s LEU 129 CO -0.04 -0.22 -0.05 0.42 -1.32 0.00 0.00 176.35 175.14 3fww s THR 130 N 0.65 0.44 -0.08 3.68 -4.23 -0.57 -3.21 115.64 112.33 3fww s THR 130 Ca 0.51 -1.86 -0.06 0.00 -1.18 0.00 0.00 61.69 59.11 3fww s THR 130 Cb -0.23 -1.58 0.03 0.00 1.34 0.00 0.00 72.50 72.06 3fww s THR 130 CO 0.29 -0.93 0.20 0.68 -0.54 0.00 0.00 174.62 174.32 3fww s VAL 131 N -3.74 -0.02 0.03 2.29 -7.23 -0.97 -3.98 120.40 106.77 3fww s VAL 131 Ca 0.09 0.08 -0.24 0.00 -1.81 0.00 0.00 61.98 60.10 3fww s VAL 131 Cb 0.06 -0.30 -0.05 0.00 0.56 0.00 0.00 36.38 36.65 3fww s VAL 131 CO -0.07 0.03 0.74 -1.59 -0.31 0.00 0.00 175.10 173.90 3fww s LYS 132 N 0.66 4.47 -0.01 4.82 0.00 -1.26 -0.01 119.74 128.40 3fww s LYS 132 Ca -0.05 1.01 0.01 0.00 0.00 0.00 0.00 55.97 56.94 3fww s LYS 132 Cb -0.06 -3.37 -0.04 0.00 0.00 0.00 0.00 37.83 34.36 3fww s LYS 132 CO -0.04 0.27 0.01 -0.51 0.00 0.00 0.00 175.35 175.08 3fww s LEU 133 N 0.02 3.55 0.06 2.77 1.43 -0.93 -4.90 118.68 120.68 3fww s LEU 133 Ca 0.38 0.02 -0.19 0.00 -1.03 0.00 0.00 54.13 53.31 3fww s LEU 133 Cb -0.20 -2.02 -0.08 0.00 0.03 0.00 0.00 46.19 43.92 3fww s LEU 133 CO 0.22 0.29 1.30 -0.78 0.23 0.00 0.00 176.35 177.60 3fww h ASP 134 N 4.38 -0.85 -3.80 2.29 3.58 -1.97 -3.39 116.42 116.66 3fww h ASP 134 Ca -0.49 0.09 -0.67 0.00 0.42 0.00 0.00 57.03 56.38 3fww h ASP 134 Cb 1.18 0.31 -0.37 0.00 1.72 0.00 0.00 39.33 42.17 3fww h ASP 134 CO 0.58 -0.30 -0.76 0.20 -2.88 0.00 0.00 179.24 176.08 3fww s ASN 135 N -3.61 4.63 -0.26 2.28 0.01 -1.26 -4.99 114.94 111.73 3fww s ASN 135 Ca -0.09 -1.57 0.05 0.00 -0.71 0.00 0.00 52.86 50.54 3fww s ASN 135 Cb 0.03 -1.61 0.48 0.00 0.41 0.00 0.00 41.25 40.57 3fww s ASN 135 CO 0.33 -0.26 1.54 -0.81 -1.51 0.00 0.00 177.10 176.38 3fww n PRO 136 N 4.43 2.37 -0.16 -0.60 -0.05 -1.26 -4.80 135.00 134.92 3fww n PRO 136 Ca -0.09 -2.05 0.00 0.00 -0.05 0.00 0.00 63.50 61.30 3fww n PRO 136 Cb 0.42 -1.86 0.00 0.00 -0.05 0.00 0.00 33.50 32.01 3fww n PRO 136 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 175.50 175.90 3fww n SER 137 N -0.31 2.70 0.00 3.54 2.88 -1.26 -3.06 113.62 118.11 3fww n SER 137 Ca 0.34 -1.60 0.00 0.00 -1.33 0.00 0.00 58.87 56.28 3fww n SER 137 Cb 1.17 -0.53 0.00 0.00 -0.75 0.00 0.00 64.21 64.11 3fww n SER 137 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3fww n GLY 138 N 1.19 0.00 1.61 0.46 0.00 -1.26 -5.13 105.19 102.06 3fww n GLY 138 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 3fww n GLY 138 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3fww n TYR 139 N 0.00 -1.10 -2.87 1.61 4.02 -1.17 -4.62 117.16 113.02 3fww n TYR 139 Ca 0.00 -0.98 -0.41 0.00 -0.01 0.00 0.00 57.90 56.49 3fww n TYR 139 Cb 0.00 -0.19 -0.04 0.00 -0.02 0.00 0.00 39.34 39.09 3fww n TYR 139 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 3fww s GLY 140 N -2.66 2.41 0.24 2.72 0.00 -1.26 -1.84 107.32 106.94 3fww s GLY 140 Ca 0.13 0.19 -0.25 0.00 0.00 0.00 0.00 44.72 44.80 3fww s GLY 140 CO 0.08 1.58 0.84 0.50 0.00 0.00 0.00 173.10 176.10 3fww s ARG 141 N 1.58 4.53 -0.41 2.90 1.81 0.14 -1.69 118.95 127.82 3fww s ARG 141 Ca 0.42 1.18 -0.23 0.00 -1.72 0.00 0.00 55.73 55.38 3fww s ARG 141 Cb -0.18 -3.03 0.02 0.00 -0.45 0.00 0.00 34.95 31.31 3fww s ARG 141 CO 0.17 0.43 0.75 0.42 -0.68 0.00 0.00 175.30 176.40 3fww s ILE 142 N -1.39 4.71 -0.51 1.52 -1.09 -0.56 -1.83 121.20 122.06 3fww s ILE 142 Ca 0.43 0.54 -0.17 0.00 -2.23 0.00 0.00 60.65 59.22 3fww s ILE 142 Cb -0.20 -4.25 0.07 0.00 -1.58 0.00 0.00 42.46 36.50 3fww s ILE 142 CO 0.25 -0.58 0.54 -0.69 -1.23 0.00 0.00 174.94 173.22 3fww s VAL 143 N 3.13 5.03 0.07 2.92 1.01 -0.85 -4.90 120.40 126.81 3fww s VAL 143 Ca 0.29 -0.84 0.04 0.00 0.00 0.00 0.00 61.98 61.46 3fww s VAL 143 Cb -0.13 -4.26 -0.04 0.00 0.00 0.00 0.00 36.38 31.95 3fww s VAL 143 CO 0.20 -0.76 0.03 -0.13 0.00 0.00 0.00 175.10 174.43 3fww s ARG 144 N 2.18 2.69 -0.24 2.72 0.52 -1.26 -2.06 118.95 123.50 3fww s ARG 144 Ca 0.10 -0.75 0.00 0.00 -0.52 0.00 0.00 55.73 54.56 3fww s ARG 144 Cb -0.23 -2.62 0.07 0.00 0.52 0.00 0.00 34.95 32.69 3fww s ARG 144 CO 0.09 0.56 -0.02 -1.21 0.02 0.00 0.00 175.30 174.74 3fww s GLU 145 N -2.21 1.41 -1.02 3.54 2.02 0.32 -4.57 118.70 118.18 3fww s GLU 145 Ca 0.26 -1.00 -0.01 0.00 0.02 0.00 0.00 54.97 54.24 3fww s GLU 145 Cb -0.12 -2.52 0.00 0.00 0.10 0.00 0.00 34.13 31.59 3fww s GLU 145 CO 0.18 -0.67 0.13 0.09 0.02 0.00 0.00 175.26 175.02 3fww n ASN 146 N 4.70 -4.08 -0.14 -0.19 3.02 -1.26 -2.88 115.26 114.44 3fww n ASN 146 Ca -0.09 -0.07 -0.02 0.00 -0.03 0.00 0.00 54.58 54.37 3fww n ASN 146 Cb 0.44 -3.17 -0.01 0.00 -0.61 0.00 0.00 39.78 36.44 3fww n ASN 146 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3fww n GLY 147 N -1.08 0.54 3.53 7.41 0.00 -1.26 -5.01 105.19 109.31 3fww n GLY 147 Ca -0.12 -0.41 -0.36 0.00 0.00 0.00 0.00 46.02 45.13 3fww n GLY 147 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3fww s ASP 148 N -2.44 5.43 0.06 1.61 1.01 -1.14 -4.98 116.67 116.22 3fww s ASP 148 Ca 0.00 -0.08 -0.31 0.00 0.71 0.00 0.00 52.55 52.87 3fww s ASP 148 Cb 0.00 -1.97 -0.08 0.00 1.01 0.00 0.00 42.92 41.88 3fww s ASP 148 CO 0.00 0.03 1.65 -0.69 0.21 0.00 0.00 175.17 176.37 3fww s VAL 149 N 1.22 3.11 0.00 -1.27 1.01 -1.26 -0.52 120.40 122.69 3fww s VAL 149 Ca 0.05 0.52 0.00 0.00 0.00 0.00 0.00 61.98 62.55 3fww s VAL 149 Cb -0.14 -3.34 0.00 0.00 0.00 0.00 0.00 36.38 32.90 3fww s VAL 149 CO 0.04 -0.01 0.00 0.55 0.00 0.00 0.00 175.10 175.68 3fww n VAL 150 N 4.80 0.00 0.00 2.92 3.14 -0.88 -4.64 118.33 123.68 3fww n VAL 150 Ca 0.16 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.54 3fww n VAL 150 Cb 0.41 -0.34 0.00 0.00 -1.06 0.00 0.00 33.84 32.85 3fww n VAL 150 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3fww n GLY 151 N 2.43 1.55 3.74 7.55 0.00 -1.23 -3.04 105.19 116.19 3fww n GLY 151 Ca 0.00 -0.81 -0.35 0.00 0.00 0.00 0.00 46.02 44.85 3fww n GLY 151 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3fww s ILE 152 N -2.00 4.92 -0.20 -0.61 1.09 -1.26 -2.02 121.20 121.12 3fww s ILE 152 Ca 0.00 -0.01 -0.05 0.00 -1.10 0.00 0.00 60.65 59.49 3fww s ILE 152 Cb 0.00 -3.15 -0.03 0.00 -1.06 0.00 0.00 42.46 38.22 3fww s ILE 152 CO 0.00 0.56 0.01 -0.69 -0.10 0.00 0.00 174.94 174.71 3fww s VAL 153 N -0.48 4.04 0.38 2.92 1.01 -0.76 -4.91 120.40 122.59 3fww s VAL 153 Ca 0.10 -0.29 -0.26 0.00 0.00 0.00 0.00 61.98 61.53 3fww s VAL 153 Cb -0.12 -2.82 -0.09 0.00 0.00 0.00 0.00 36.38 33.35 3fww s VAL 153 CO 0.02 0.43 1.21 -1.61 0.00 0.00 0.00 175.10 175.15 3fww s GLU 154 N 0.91 4.16 0.37 2.72 0.41 -1.26 0.27 118.70 126.27 3fww s GLU 154 Ca 0.01 1.95 0.14 0.00 -0.41 0.00 0.00 54.97 56.67 3fww s GLU 154 Cb -0.14 -2.81 1.00 0.00 -1.78 0.00 0.00 34.13 30.39 3fww s GLU 154 CO 0.02 -0.26 1.76 1.25 -0.49 0.00 0.00 175.26 177.54 3fww h HIS 155 N 2.90 0.80 0.00 1.61 -0.00 -1.62 -3.00 115.15 115.84 3fww h HIS 155 Ca -0.49 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 59.91 3fww h HIS 155 Cb 1.23 -0.23 0.00 0.00 -0.00 0.00 0.00 27.41 28.41 3fww h HIS 155 CO 0.55 0.09 0.00 1.17 -0.00 0.00 0.00 177.93 179.74 3fww n LYS 156 N -4.71 0.00 -2.39 5.26 4.81 -1.26 -3.16 118.16 116.71 3fww n LYS 156 Ca 0.25 0.00 -0.37 0.00 -0.87 0.00 0.00 58.31 57.32 3fww n LYS 156 Cb 0.80 -0.44 -0.02 0.00 0.02 0.00 0.00 35.03 35.39 3fww n LYS 156 CO 0.00 0.00 0.00 0.16 1.17 0.00 0.00 177.40 178.73 3fww s ASP 157 N -2.99 6.15 -0.12 3.14 1.47 -1.13 -4.87 116.67 118.32 3fww s ASP 157 Ca 0.00 -2.13 -0.03 0.00 1.18 0.00 0.00 52.55 51.57 3fww s ASP 157 Cb 0.00 -2.58 0.04 0.00 -0.34 0.00 0.00 42.92 40.04 3fww s ASP 157 CO 0.00 -1.90 0.05 0.00 0.68 0.00 0.00 175.17 174.00 3fww s ALA 158 N 6.80 0.59 0.80 2.11 0.00 -1.19 -4.48 121.76 126.39 3fww s ALA 158 Ca 0.59 -0.24 -0.15 0.00 0.00 0.00 0.00 51.96 52.17 3fww s ALA 158 Cb 0.02 -0.90 0.01 0.00 0.00 0.00 0.00 23.12 22.25 3fww s ALA 158 CO 0.10 -0.83 0.68 -1.13 0.00 0.00 0.00 175.76 174.58 3fww n SER 159 N 5.20 -0.78 -0.14 0.00 3.41 -1.26 -4.64 113.62 115.40 3fww n SER 159 Ca -0.07 0.53 0.21 0.00 -0.26 0.00 0.00 58.87 59.28 3fww n SER 159 Cb 0.49 -1.29 0.61 0.00 -0.26 0.00 0.00 64.21 63.75 3fww n SER 159 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3fww h ASP 160 N -0.77 0.20 -0.34 4.04 3.32 -2.00 -0.33 116.42 120.53 3fww h ASP 160 Ca -0.45 0.02 -0.15 0.00 0.02 0.00 0.00 57.03 56.46 3fww h ASP 160 Cb 1.32 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 40.84 3fww h ASP 160 CO 0.42 0.09 -0.38 0.00 -1.72 0.00 0.00 179.24 177.65 3fww h ALA 161 N 1.64 0.51 -0.40 3.45 0.00 -2.03 -3.20 119.26 119.23 3fww h ALA 161 Ca 0.37 -0.45 -0.13 0.00 0.00 0.00 0.00 54.91 54.71 3fww h ALA 161 Cb 1.16 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 3fww h ALA 161 CO -0.07 0.60 -0.26 1.96 0.00 0.00 0.00 179.25 181.48 3fww h GLN 162 N 0.65 0.83 0.00 0.00 4.20 -1.43 -3.08 115.11 116.29 3fww h GLN 162 Ca 0.05 -0.36 0.00 0.00 0.06 0.00 0.00 58.65 58.40 3fww h GLN 162 Cb 0.97 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.73 3fww h GLN 162 CO 0.09 1.00 0.03 -2.13 -0.67 0.00 0.00 178.83 177.16 3fww n ARG 163 N -4.09 0.00 0.04 1.46 0.63 -0.47 0.69 116.66 114.92 3fww n ARG 163 Ca -0.00 0.32 0.12 0.00 -0.92 0.00 0.00 57.85 57.37 3fww n ARG 163 Cb 0.46 -1.53 0.18 0.00 0.45 0.00 0.00 32.46 32.02 3fww n ARG 163 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 3fww n GLU 164 N -1.31 0.22 -1.66 -0.14 -0.58 -1.16 -4.80 120.64 111.21 3fww n GLU 164 Ca 0.00 0.06 -0.37 0.00 -0.42 0.00 0.00 57.16 56.43 3fww n GLU 164 Cb 0.03 -1.63 -0.03 0.00 -0.57 0.00 0.00 31.44 29.24 3fww n GLU 164 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 3fww s ILE 165 N -3.13 3.08 0.12 -3.67 1.01 0.22 -4.84 121.20 113.99 3fww s ILE 165 Ca 0.07 0.05 -0.20 0.00 0.00 0.00 0.00 60.65 60.58 3fww s ILE 165 Cb 0.14 -3.21 -0.06 0.00 0.01 0.00 0.00 42.46 39.35 3fww s ILE 165 CO 0.72 -0.20 1.76 0.78 0.00 0.00 0.00 174.94 178.00 3fww h ASN 166 N 18.38 0.14 -2.93 3.58 2.35 -1.87 -3.44 115.58 131.78 3fww h ASN 166 Ca -0.25 0.01 -0.52 0.00 -0.55 0.00 0.00 56.30 54.98 3fww h ASN 166 Cb 1.24 -0.01 0.05 0.00 0.05 0.00 0.00 38.32 39.65 3fww h ASN 166 CO 1.16 0.11 0.87 -0.70 -1.65 0.00 0.00 177.43 177.22 3fww s GLU 167 N -6.18 4.21 0.28 0.81 2.12 -1.26 -2.18 118.70 116.50 3fww s GLU 167 Ca -0.13 2.38 0.04 0.00 0.36 0.00 0.00 54.97 57.62 3fww s GLU 167 Cb 0.09 -3.13 -0.06 0.00 0.26 0.00 0.00 34.13 31.29 3fww s GLU 167 CO 0.69 -0.59 0.03 0.96 -0.54 0.00 0.00 175.26 175.81 3fww s ILE 168 N 0.89 1.11 -0.21 -3.70 -4.36 0.98 -1.49 121.20 114.43 3fww s ILE 168 Ca 0.68 -2.03 -0.23 0.00 -0.26 0.00 0.00 60.65 58.81 3fww s ILE 168 Cb -0.44 -2.58 -0.01 0.00 1.25 0.00 0.00 42.46 40.68 3fww s ILE 168 CO 0.34 -0.15 0.76 0.21 0.24 0.00 0.00 174.94 176.34 3fww s ASN 169 N -3.40 6.81 0.35 4.36 2.47 -0.68 -2.29 114.94 122.56 3fww s ASN 169 Ca 0.33 1.00 0.19 0.00 0.42 0.00 0.00 52.86 54.79 3fww s ASN 169 Cb 0.07 -2.41 0.27 0.00 -1.45 0.00 0.00 41.25 37.73 3fww s ASN 169 CO 0.12 -0.41 1.55 0.71 -3.72 0.00 0.00 177.10 175.35 3fww h THR 170 N 5.30 0.55 0.00 -5.21 1.35 -1.92 -3.44 112.91 109.53 3fww h THR 170 Ca -0.27 -1.69 0.00 0.00 -0.55 0.00 0.00 66.41 63.90 3fww h THR 170 Cb 1.12 2.20 0.00 0.00 -1.73 0.00 0.00 68.15 69.74 3fww h THR 170 CO 0.83 0.30 0.00 0.61 -0.25 0.00 0.00 175.52 177.01 3fww n GLY 171 N 1.04 0.85 3.77 5.82 0.00 -1.26 -5.04 105.19 110.37 3fww n GLY 171 Ca 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 3fww n GLY 171 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3fww s ILE 172 N -2.75 5.34 0.19 -0.61 1.01 -1.26 -4.85 121.20 118.27 3fww s ILE 172 Ca 0.00 0.43 -0.24 0.00 0.00 0.00 0.00 60.65 60.85 3fww s ILE 172 Cb 0.00 -3.56 0.05 0.00 0.01 0.00 0.00 42.46 38.96 3fww s ILE 172 CO 0.00 0.46 0.82 -1.48 0.00 0.00 0.00 174.94 174.75 3fww s LEU 173 N 0.01 -0.26 0.47 2.97 0.05 -1.24 -1.55 118.68 119.13 3fww s LEU 173 Ca 0.15 -0.41 0.03 0.00 0.05 0.00 0.00 54.13 53.94 3fww s LEU 173 Cb -0.13 2.42 -0.03 0.00 -2.05 0.00 0.00 46.19 46.40 3fww s LEU 173 CO 0.03 -1.06 0.02 -0.69 -0.55 0.00 0.00 176.35 174.10 3fww s VAL 174 N -3.57 1.31 0.00 1.48 1.01 0.23 -1.53 120.40 119.33 3fww s VAL 174 Ca 0.10 -2.00 0.00 0.00 0.00 0.00 0.00 61.98 60.08 3fww s VAL 174 Cb -0.03 -2.39 0.00 0.00 0.00 0.00 0.00 36.38 33.95 3fww s VAL 174 CO 0.02 0.00 0.00 0.00 0.00 0.00 0.00 175.10 175.12 3fww n ALA 175 N -1.15 0.00 -1.76 5.51 0.00 -1.20 -3.12 120.51 118.79 3fww n ALA 175 Ca -0.14 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 52.90 3fww n ALA 175 Cb 0.67 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.13 3fww n ALA 175 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3fww s ASN 176 N 0.00 5.89 0.24 0.00 3.84 -1.26 -0.81 114.94 122.84 3fww s ASN 176 Ca 0.00 2.80 -0.06 0.00 0.21 0.00 0.00 52.86 55.81 3fww s ASN 176 Cb 0.00 -2.64 0.27 0.00 -0.55 0.00 0.00 41.25 38.32 3fww s ASN 176 CO 0.00 -1.16 1.90 1.23 -2.79 0.00 0.00 177.10 176.29 3fww h GLY 177 N 2.24 1.34 0.54 1.21 0.00 -0.61 0.33 103.07 108.14 3fww h GLY 177 Ca -0.50 -0.48 -0.03 0.00 0.00 0.00 0.00 47.33 46.32 3fww h GLY 177 CO 0.61 0.44 -0.26 -0.09 0.00 0.00 0.00 176.54 177.23 3fww h ARG 178 N 1.22 -0.70 -1.00 4.80 2.43 -1.70 -1.01 114.38 118.42 3fww h ARG 178 Ca 0.36 0.05 0.21 0.00 -0.81 0.00 0.00 59.98 59.79 3fww h ARG 178 Cb -0.07 0.16 -0.11 0.00 -0.42 0.00 0.00 29.97 29.54 3fww h ARG 178 CO -0.10 -0.47 0.61 -0.44 -1.51 0.00 0.00 179.97 178.07 3fww h ASP 179 N -0.77 0.71 -0.10 -3.80 3.32 -1.84 -1.66 116.42 112.28 3fww h ASP 179 Ca -0.07 0.10 -0.01 0.00 0.02 0.00 0.00 57.03 57.06 3fww h ASP 179 Cb 0.56 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 40.08 3fww h ASP 179 CO 0.12 0.22 0.01 0.25 -1.72 0.00 0.00 179.24 178.12 3fww h LEU 180 N 0.67 0.17 -0.86 1.55 6.46 -0.28 -1.66 115.31 121.36 3fww h LEU 180 Ca 0.58 -0.28 0.18 0.00 -0.12 0.00 0.00 57.88 58.24 3fww h LEU 180 Cb 1.03 -0.04 -0.11 0.00 -0.73 0.00 0.00 40.66 40.81 3fww h LEU 180 CO -0.37 0.41 0.40 0.11 -0.62 0.00 0.00 178.44 178.37 3fww h LYS 181 N -0.08 0.50 0.00 1.25 1.57 -0.27 -2.44 116.57 117.09 3fww h LYS 181 Ca 0.03 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3fww h LYS 181 Cb 0.32 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.51 3fww h LYS 181 CO 0.00 0.33 0.00 -2.13 -0.57 0.00 0.00 179.45 177.08 3fww n ARG 182 N -4.96 0.00 -0.09 3.15 3.00 -0.85 -3.24 116.66 113.67 3fww n ARG 182 Ca 0.19 0.25 0.25 0.00 -0.00 0.00 0.00 57.85 58.54 3fww n ARG 182 Cb 0.52 -1.10 0.57 0.00 0.00 0.00 0.00 32.46 32.46 3fww n ARG 182 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.63 176.14 3fww h TRP 183 N 0.00 0.00 0.00 -0.14 6.55 -1.17 -3.19 115.95 118.00 3fww h TRP 183 Ca 0.00 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.84 3fww h TRP 183 Cb 0.00 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.30 3fww h TRP 183 CO -0.02 0.00 0.00 1.28 -1.05 0.00 0.00 178.44 178.65 3fww n LEU 184 N -3.43 1.30 -1.23 -4.49 4.77 -0.93 -3.90 117.00 109.08 3fww n LEU 184 Ca 0.17 0.23 0.00 0.00 -0.03 0.00 0.00 56.01 56.38 3fww n LEU 184 Cb 1.16 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.25 3fww n LEU 184 CO 0.25 0.00 0.19 -1.54 -1.33 0.00 0.00 177.39 174.96 3fww n SER 185 N -0.45 1.10 -2.03 -1.43 3.41 -1.20 -2.66 113.62 110.37 3fww n SER 185 Ca 0.00 -0.83 -0.18 0.00 -0.26 0.00 0.00 58.87 57.60 3fww n SER 185 Cb 0.00 -0.20 0.04 0.00 -0.26 0.00 0.00 64.21 63.78 3fww n SER 185 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3fww n LEU 186 N 1.12 4.28 -4.22 1.04 -0.00 -1.25 -5.07 117.00 112.90 3fww n LEU 186 Ca 0.00 -4.43 -0.18 0.00 -0.00 0.00 0.00 56.01 51.41 3fww n LEU 186 Cb 0.15 -0.24 -0.11 0.00 -0.00 0.00 0.00 43.42 43.22 3fww n LEU 186 CO 0.00 1.90 -0.45 -0.76 -0.00 0.00 0.00 177.39 178.08 3fww s LEU 187 N -3.56 2.38 0.51 1.47 1.43 -1.09 -5.09 118.68 114.73 3fww s LEU 187 Ca 0.47 -0.77 0.08 0.00 -1.03 0.00 0.00 54.13 52.88 3fww s LEU 187 Cb 0.39 -0.52 0.04 0.00 0.03 0.00 0.00 46.19 46.14 3fww s LEU 187 CO 0.02 -0.14 0.62 -1.81 0.23 0.00 0.00 176.35 175.27 3fww s ASP 188 N -2.31 5.18 0.00 2.29 1.01 -1.26 -5.05 116.67 116.53 3fww s ASP 188 Ca 0.06 -0.77 0.01 0.00 0.71 0.00 0.00 52.55 52.56 3fww s ASP 188 Cb -0.06 -0.07 0.02 0.00 1.01 0.00 0.00 42.92 43.82 3fww s ASP 188 CO 0.02 -1.05 0.99 -0.46 0.21 0.00 0.00 175.17 174.88 3fww n ASN 189 N -1.97 1.99 -4.41 0.27 6.94 -1.26 -4.47 115.26 112.34 3fww n ASN 189 Ca 0.10 -1.95 -0.44 0.00 -0.02 0.00 0.00 54.58 52.27 3fww n ASN 189 Cb 0.61 -0.01 -0.03 0.00 -2.36 0.00 0.00 39.78 37.99 3fww n ASN 189 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 3fww s ASN 190 N -0.95 6.45 0.00 0.53 4.22 -1.26 -4.27 114.94 119.67 3fww s ASN 190 Ca 0.01 -1.80 0.00 0.00 -2.14 0.00 0.00 52.86 48.93 3fww s ASN 190 Cb 0.01 -2.35 0.00 0.00 1.28 0.00 0.00 41.25 40.19 3fww s ASN 190 CO 0.01 -1.07 0.00 1.67 -2.04 0.00 0.00 177.10 175.66 3fww n GLN 193 N 6.33 0.00 0.00 3.55 7.27 -1.26 -5.07 117.38 128.21 3fww n GLN 193 Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.16 3fww n GLN 193 Cb 0.46 -0.22 0.00 0.00 2.41 0.00 0.00 30.24 32.90 3fww n GLN 193 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3fww n GLY 194 N -0.05 2.71 2.32 1.69 0.00 -1.26 -5.02 105.19 105.58 3fww n GLY 194 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 3fww n GLY 194 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3fww n GLU 195 N -2.00 0.20 -4.12 1.61 1.02 -1.26 -4.84 120.64 111.25 3fww n GLU 195 Ca 0.00 -1.63 -0.35 0.00 -0.02 0.00 0.00 57.16 55.16 3fww n GLU 195 Cb 0.00 -0.39 -0.12 0.00 -0.02 0.00 0.00 31.44 30.91 3fww n GLU 195 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 3fww s PHE 196 N -1.73 3.04 -0.00 -0.32 0.08 -1.26 -4.53 117.98 113.26 3fww s PHE 196 Ca 0.40 -0.42 -0.22 0.00 0.12 0.00 0.00 56.93 56.80 3fww s PHE 196 Cb -0.02 -2.06 -0.05 0.00 -0.57 0.00 0.00 43.02 40.31 3fww s PHE 196 CO 0.26 -0.20 0.65 0.71 -0.10 0.00 0.00 175.22 176.54 3fww s TYR 197 N 0.88 3.67 -0.10 0.36 2.02 -1.26 -2.89 117.35 120.03 3fww s TYR 197 Ca 0.01 1.27 0.30 0.00 -0.37 0.00 0.00 57.07 58.27 3fww s TYR 197 Cb -0.14 -2.69 1.01 0.00 -0.40 0.00 0.00 41.96 39.74 3fww s TYR 197 CO 0.02 0.29 1.85 0.97 -1.57 0.00 0.00 175.55 177.11 3fww h ILE 198 N 4.24 0.00 -0.94 2.71 6.09 -1.93 -3.20 117.51 124.48 3fww h ILE 198 Ca -0.44 -0.67 0.24 0.00 -1.37 0.00 0.00 64.86 62.62 3fww h ILE 198 Cb 1.20 1.66 -0.13 0.00 0.47 0.00 0.00 36.82 40.02 3fww h ILE 198 CO 0.71 0.00 0.47 0.74 -3.07 0.00 0.00 178.15 177.00 3fww h THR 199 N 0.00 0.48 -0.58 2.19 2.02 -1.95 -3.13 112.91 111.94 3fww h THR 199 Ca 0.00 -0.16 0.00 0.00 0.77 0.00 0.00 66.41 67.03 3fww h THR 199 Cb 0.67 -0.01 -0.03 0.00 -1.74 0.00 0.00 68.15 67.04 3fww h THR 199 CO 0.00 0.08 0.37 0.44 0.37 0.00 0.00 175.52 176.79 3fww h ASP 200 N 0.45 0.67 0.00 4.18 3.32 -1.90 -2.73 116.42 120.41 3fww h ASP 200 Ca 0.60 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.63 3fww h ASP 200 Cb 1.17 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 40.55 3fww h ASP 200 CO -0.52 0.50 0.00 2.30 -1.72 0.00 0.00 179.24 179.80 3fww n ILE 201 N -4.44 0.00 -0.07 0.35 -5.35 -1.18 -1.18 119.36 107.49 3fww n ILE 201 Ca 0.06 0.00 -0.10 0.00 -0.27 0.00 0.00 62.75 62.43 3fww n ILE 201 Cb 0.05 -0.93 -0.08 0.00 -1.74 0.00 0.00 39.64 36.94 3fww n ILE 201 CO 0.00 0.00 0.00 0.40 -1.76 0.00 0.00 176.55 175.19 3fww h ILE 202 N 0.00 1.04 -0.24 7.28 1.08 -1.74 -3.18 117.51 121.75 3fww h ILE 202 Ca 0.00 -1.85 -0.12 0.00 -0.39 0.00 0.00 64.86 62.51 3fww h ILE 202 Cb 0.00 2.03 -0.01 0.00 -3.07 0.00 0.00 36.82 35.77 3fww h ILE 202 CO 0.00 0.35 -0.35 0.00 -0.69 0.00 0.00 178.15 177.46 3fww h ALA 203 N -0.42 0.95 0.00 1.87 0.00 -1.06 -2.02 119.26 118.58 3fww h ALA 203 Ca -0.05 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3fww h ALA 203 Cb 0.72 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.40 3fww h ALA 203 CO -0.03 0.61 0.00 1.28 0.00 0.00 0.00 179.25 181.12 3fww n LEU 204 N -4.06 0.22 0.00 0.00 7.99 -0.44 0.04 117.00 120.76 3fww n LEU 204 Ca -0.01 -0.11 0.00 0.00 -0.01 0.00 0.00 56.01 55.88 3fww n LEU 204 Cb 0.47 -0.11 0.00 0.00 -0.11 0.00 0.00 43.42 43.67 3fww n LEU 204 CO 0.44 0.05 -0.43 0.00 -1.51 0.00 0.00 177.39 175.94 3fww n ALA 205 N -0.30 1.96 0.27 -1.18 0.00 -0.88 -4.48 120.51 115.92 3fww n ALA 205 Ca 0.00 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.61 3fww n ALA 205 Cb 0.05 0.36 0.67 0.00 0.00 0.00 0.00 19.45 20.54 3fww n ALA 205 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3fww h HIS 206 N 0.00 0.00 0.23 0.00 -0.00 -1.11 -1.38 115.15 112.89 3fww h HIS 206 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.36 3fww h HIS 206 Cb 0.86 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 28.26 3fww h HIS 206 CO 0.00 0.02 -0.20 0.00 -0.00 0.00 0.00 177.93 177.74 3fww h ALA 207 N 1.98 -0.94 -0.20 5.26 0.00 -0.61 -2.67 119.26 122.08 3fww h ALA 207 Ca -0.00 -0.08 -0.12 0.00 0.00 0.00 0.00 54.91 54.71 3fww h ALA 207 Cb 0.53 0.42 -0.06 0.00 0.00 0.00 0.00 17.79 18.68 3fww h ALA 207 CO 0.00 -0.95 0.16 -0.40 0.00 0.00 0.00 179.25 178.06 3fww n ASP 208 N -3.55 4.53 -3.56 0.00 5.75 -1.22 -4.86 116.55 113.65 3fww n ASP 208 Ca -0.05 -2.51 -0.20 0.00 -0.01 0.00 0.00 54.79 52.02 3fww n ASP 208 Cb 0.19 -0.84 0.06 0.00 -1.03 0.00 0.00 41.12 39.49 3fww n ASP 208 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3fww n GLY 209 N 0.61 -0.44 3.51 6.12 0.00 -1.01 -5.02 105.19 108.95 3fww n GLY 209 Ca 0.12 0.18 -0.25 0.00 0.00 0.00 0.00 46.02 46.07 3fww n GLY 209 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fww s LYS 210 N -5.60 1.83 -0.21 1.61 3.01 -0.53 -5.02 119.74 114.83 3fww s LYS 210 Ca 0.07 -1.53 -0.10 0.00 -1.01 0.00 0.00 55.97 53.40 3fww s LYS 210 Cb -0.02 -1.95 -0.05 0.00 -1.01 0.00 0.00 37.83 34.81 3fww s LYS 210 CO 0.78 0.38 0.15 0.15 0.51 0.00 0.00 175.35 177.32 3fww s LYS 211 N -3.14 4.16 -0.43 1.68 1.02 -1.26 -4.13 119.74 117.64 3fww s LYS 211 Ca 0.26 -0.21 -0.09 0.00 0.02 0.00 0.00 55.97 55.95 3fww s LYS 211 Cb -0.07 -3.46 0.08 0.00 -0.52 0.00 0.00 37.83 33.86 3fww s LYS 211 CO 0.14 0.22 0.27 0.42 -0.92 0.00 0.00 175.35 175.48 3fww s ILE 212 N 0.60 4.27 0.75 2.17 1.09 -1.26 -3.82 121.20 125.00 3fww s ILE 212 Ca 0.09 -1.42 -0.08 0.00 -1.10 0.00 0.00 60.65 58.13 3fww s ILE 212 Cb -0.12 -3.63 0.08 0.00 -1.06 0.00 0.00 42.46 37.73 3fww s ILE 212 CO 0.00 -0.54 1.07 0.00 -0.10 0.00 0.00 174.94 175.38 3fww s ALA 213 N 1.43 3.01 -0.14 9.38 0.00 -0.74 -4.47 121.76 130.23 3fww s ALA 213 Ca 0.03 -0.95 -0.08 0.00 0.00 0.00 0.00 51.96 50.97 3fww s ALA 213 Cb -0.23 -2.65 0.05 0.00 0.00 0.00 0.00 23.12 20.29 3fww s ALA 213 CO 0.02 -1.49 0.33 0.95 0.00 0.00 0.00 175.76 175.57 3fww s THR 214 N -3.36 -0.03 0.29 0.00 -4.23 -1.26 -0.99 115.64 106.06 3fww s THR 214 Ca 0.62 0.10 0.10 0.00 -1.18 0.00 0.00 61.69 61.33 3fww s THR 214 Cb -0.10 -0.49 -0.05 0.00 1.34 0.00 0.00 72.50 73.20 3fww s THR 214 CO 0.46 0.04 -0.05 0.68 -0.54 0.00 0.00 174.62 175.21 3fww s VAL 215 N 1.15 2.99 0.11 2.29 -7.23 -0.97 -4.95 120.40 113.78 3fww s VAL 215 Ca -0.08 -2.06 0.06 0.00 -1.81 0.00 0.00 61.98 58.09 3fww s VAL 215 Cb -0.08 -2.69 -0.04 0.00 0.56 0.00 0.00 36.38 34.13 3fww s VAL 215 CO -0.09 -0.34 -0.03 -1.00 -0.31 0.00 0.00 175.10 173.33 3fww s HIS 216 N -2.42 2.89 0.55 2.82 0.09 -1.26 -1.51 115.29 116.45 3fww s HIS 216 Ca 0.32 -0.08 -0.17 0.00 -0.00 0.00 0.00 55.06 55.12 3fww s HIS 216 Cb -0.05 -1.48 -0.05 0.00 -0.00 0.00 0.00 32.58 31.00 3fww s HIS 216 CO 0.18 0.47 1.05 -1.25 -0.00 0.00 0.00 174.74 175.19 3fww s PRO 217 N -2.37 3.51 0.26 8.40 0.04 -1.26 -4.94 135.00 138.64 3fww s PRO 217 Ca 0.25 1.25 0.14 0.00 0.04 0.00 0.00 61.00 62.67 3fww s PRO 217 Cb -0.11 -2.06 0.17 0.00 0.04 0.00 0.00 34.50 32.54 3fww s PRO 217 CO 0.17 -0.66 1.49 0.00 0.04 0.00 0.00 177.00 178.03 3fww h THR 218 N 0.83 1.10 -4.44 1.26 1.03 -1.98 -3.45 112.91 107.27 3fww h THR 218 Ca -0.48 -2.33 -0.62 0.00 -0.01 0.00 0.00 66.41 62.98 3fww h THR 218 Cb 1.22 2.39 -0.29 0.00 -1.07 0.00 0.00 68.15 70.39 3fww h THR 218 CO 0.58 0.58 -0.86 -0.13 -0.01 0.00 0.00 175.52 175.68 3fww s ARG 219 N -3.10 1.73 0.50 0.00 0.52 -1.26 -5.03 118.95 112.32 3fww s ARG 219 Ca 0.02 -0.79 0.15 0.00 -0.52 0.00 0.00 55.73 54.58 3fww s ARG 219 Cb 0.09 -1.69 1.20 0.00 0.52 0.00 0.00 34.95 35.08 3fww s ARG 219 CO 0.75 0.46 2.14 1.25 0.02 0.00 0.00 175.30 179.91 3fww h LEU 220 N 5.53 0.08 -0.82 2.53 5.85 -2.01 -2.04 115.31 124.43 3fww h LEU 220 Ca -0.40 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.32 3fww h LEU 220 Cb 1.14 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.15 3fww h LEU 220 CO 0.47 0.06 0.00 0.77 -0.34 0.00 0.00 178.44 179.40 3fww h SER 221 N 0.09 0.00 0.78 1.25 4.64 -1.96 -2.71 113.55 115.63 3fww h SER 221 Ca 0.02 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.32 3fww h SER 221 Cb -0.01 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.08 3fww h SER 221 CO -0.01 0.00 -0.10 -0.33 -0.87 0.00 0.00 176.83 175.53 3fww h GLU 222 N 0.00 0.00 0.00 4.77 5.08 -1.59 -3.02 114.58 119.81 3fww h GLU 222 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3fww h GLU 222 Cb 0.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.60 3fww h GLU 222 CO 0.00 0.10 -0.01 1.33 -1.00 0.00 0.00 179.01 179.42 3fww n VAL 223 N -3.29 1.13 -2.19 3.13 0.24 -1.03 -2.39 118.33 113.94 3fww n VAL 223 Ca -0.00 -1.23 -0.42 0.00 -2.04 0.00 0.00 64.34 60.64 3fww n VAL 223 Cb 0.31 0.34 -0.03 0.00 -1.47 0.00 0.00 33.84 32.99 3fww n VAL 223 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 3fww s GLU 224 N -1.39 4.32 0.00 7.34 0.41 -1.14 -5.02 118.70 123.21 3fww s GLU 224 Ca 0.08 2.04 -0.01 0.00 -0.41 0.00 0.00 54.97 56.67 3fww s GLU 224 Cb 0.07 -3.32 -0.04 0.00 -1.78 0.00 0.00 34.13 29.06 3fww s GLU 224 CO 0.01 -0.46 0.14 0.20 -0.49 0.00 0.00 175.26 174.67 3fww s GLY 225 N 1.27 2.12 -0.30 -1.39 0.00 -1.26 -4.43 107.32 103.32 3fww s GLY 225 Ca 0.64 -0.82 -0.11 0.00 0.00 0.00 0.00 44.72 44.43 3fww s GLY 225 CO 0.30 -0.72 0.19 0.14 0.00 0.00 0.00 173.10 173.01 3fww s VAL 226 N -1.30 5.08 -0.25 1.40 1.01 -0.09 -4.90 120.40 121.35 3fww s VAL 226 Ca 0.27 -0.09 0.08 0.00 0.00 0.00 0.00 61.98 62.24 3fww s VAL 226 Cb -0.12 -3.50 -0.11 0.00 0.00 0.00 0.00 36.38 32.64 3fww s VAL 226 CO 0.18 0.15 0.30 0.59 0.00 0.00 0.00 175.10 176.31 3fww n ASN 227 N 5.05 1.37 -3.12 3.32 3.02 -1.26 -4.91 115.26 118.73 3fww n ASN 227 Ca -0.14 -0.44 -0.10 0.00 -0.03 0.00 0.00 54.58 53.88 3fww n ASN 227 Cb 0.51 1.15 0.00 0.00 -0.61 0.00 0.00 39.78 40.83 3fww n ASN 227 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3fww s ASN 228 N -2.24 0.15 0.12 6.41 2.20 -1.26 -3.52 114.94 116.79 3fww s ASN 228 Ca 0.01 -1.15 0.07 0.00 -0.94 0.00 0.00 52.86 50.85 3fww s ASN 228 Cb 0.06 0.80 -0.20 0.00 -2.00 0.00 0.00 41.25 39.91 3fww s ASN 228 CO 0.35 -1.57 1.28 0.03 -2.94 0.00 0.00 177.10 174.26 3fww h ARG 229 N 2.03 0.01 -0.64 3.55 3.08 -1.90 -2.39 114.38 118.13 3fww h ARG 229 Ca -0.30 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 59.73 3fww h ARG 229 Cb 1.25 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 31.27 3fww h ARG 229 CO 0.38 1.00 0.37 1.25 -1.07 0.00 0.00 179.97 181.90 3fww h LEU 230 N 0.00 0.78 -0.53 3.04 5.85 -1.97 0.18 115.31 122.67 3fww h LEU 230 Ca -0.01 -0.07 -0.04 0.00 0.84 0.00 0.00 57.88 58.59 3fww h LEU 230 Cb 1.76 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 42.57 3fww h LEU 230 CO 0.13 0.63 0.17 1.56 -0.34 0.00 0.00 178.44 180.59 3fww h GLN 231 N 0.87 0.81 -0.50 1.25 4.20 -1.93 -2.07 115.11 117.74 3fww h GLN 231 Ca 0.23 -0.17 -0.02 0.00 0.06 0.00 0.00 58.65 58.75 3fww h GLN 231 Cb 0.00 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.64 3fww h GLN 231 CO -0.04 0.74 0.24 1.25 -0.67 0.00 0.00 178.83 180.35 3fww h LEU 232 N 0.72 0.65 -1.68 1.46 5.85 -0.91 -2.25 115.31 119.15 3fww h LEU 232 Ca 0.17 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.77 3fww h LEU 232 Cb 0.26 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.11 3fww h LEU 232 CO -0.01 0.60 0.22 0.77 -0.34 0.00 0.00 178.44 179.68 3fww h SER 233 N 0.66 0.38 -0.43 1.25 4.64 -0.45 0.15 113.55 119.75 3fww h SER 233 Ca 0.17 -0.01 -0.07 0.00 -0.47 0.00 0.00 61.79 61.41 3fww h SER 233 Cb 0.12 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 62.10 3fww h SER 233 CO -0.02 0.27 -0.02 0.00 -0.87 0.00 0.00 176.83 176.19 3fww h ALA 234 N 1.79 0.58 -0.27 5.18 0.00 -0.81 -2.08 119.26 123.65 3fww h ALA 234 Ca 0.12 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.69 3fww h ALA 234 Cb -0.05 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 3fww h ALA 234 CO -0.03 0.39 -0.12 -0.07 0.00 0.00 0.00 179.25 179.43 3fww h LEU 235 N 0.61 0.44 0.06 0.00 3.38 -0.90 -1.06 115.31 117.84 3fww h LEU 235 Ca 0.12 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 3fww h LEU 235 Cb 0.51 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.15 3fww h LEU 235 CO 0.03 0.59 -0.03 -0.08 0.09 0.00 0.00 178.44 179.04 3fww h GLU 236 N 0.43 -0.08 -0.57 1.13 4.57 -0.48 0.87 114.58 120.46 3fww h GLU 236 Ca 0.08 0.01 0.02 0.00 -1.18 0.00 0.00 59.36 58.29 3fww h GLU 236 Cb 0.47 0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 29.04 3fww h GLU 236 CO 0.03 -0.05 0.35 0.00 -1.18 0.00 0.00 179.01 178.15 3fww h ARG 237 N -0.08 0.67 -0.05 1.92 2.47 -1.03 0.77 114.38 119.05 3fww h ARG 237 Ca -0.01 -0.04 0.02 0.00 -1.26 0.00 0.00 59.98 58.69 3fww h ARG 237 Cb 0.06 -0.15 -0.02 0.00 -1.65 0.00 0.00 29.97 28.21 3fww h ARG 237 CO 0.01 0.45 -0.04 0.28 0.56 0.00 0.00 179.97 181.23 3fww h VAL 238 N 0.70 0.88 -0.87 2.04 2.07 -0.98 -0.49 116.25 119.59 3fww h VAL 238 Ca 0.22 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.80 3fww h VAL 238 Cb 0.00 0.88 -0.06 0.00 -1.52 0.00 0.00 31.29 30.59 3fww h VAL 238 CO -0.09 0.00 0.55 0.15 0.02 0.00 0.00 177.57 178.20 3fww h PHE 239 N -0.04 1.02 -0.31 1.57 3.57 -0.37 -1.63 116.94 120.75 3fww h PHE 239 Ca 0.04 0.03 -0.15 0.00 3.53 0.00 0.00 57.97 61.41 3fww h PHE 239 Cb 0.09 -0.33 -0.01 0.00 2.79 0.00 0.00 35.95 38.50 3fww h PHE 239 CO -0.14 0.53 -0.42 1.96 -2.23 0.00 0.00 178.31 178.01 3fww h GLN 240 N 1.01 0.77 -0.82 1.11 1.08 -0.51 -1.68 115.11 116.08 3fww h GLN 240 Ca 0.38 -0.41 -0.01 0.00 -1.45 0.00 0.00 58.65 57.15 3fww h GLN 240 Cb 0.14 0.02 -0.04 0.00 -0.05 0.00 0.00 27.48 27.55 3fww h GLN 240 CO -0.16 1.04 0.48 1.15 -0.95 0.00 0.00 178.83 180.38 3fww h THR 241 N 0.62 1.23 0.36 -0.54 2.02 -0.82 -0.06 112.91 115.71 3fww h THR 241 Ca 0.04 -0.54 -0.02 0.00 0.77 0.00 0.00 66.41 66.67 3fww h THR 241 Cb 0.98 0.11 0.00 0.00 -1.74 0.00 0.00 68.15 67.50 3fww h THR 241 CO 0.09 0.25 -0.17 -0.33 0.37 0.00 0.00 175.52 175.73 3fww h GLU 242 N 1.13 -0.46 -0.36 6.66 5.08 -1.07 -0.84 114.58 124.72 3fww h GLU 242 Ca 0.29 0.03 0.06 0.00 -1.00 0.00 0.00 59.36 58.74 3fww h GLU 242 Cb -0.02 0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.29 3fww h GLU 242 CO -0.05 -0.24 0.05 1.96 -1.00 0.00 0.00 179.01 179.73 3fww h GLN 243 N -0.59 0.16 -0.66 2.33 4.20 -1.15 -1.44 115.11 117.96 3fww h GLN 243 Ca -0.05 -0.01 0.07 0.00 0.06 0.00 0.00 58.65 58.72 3fww h GLN 243 Cb 0.44 -0.04 -0.06 0.00 0.30 0.00 0.00 27.48 28.12 3fww h GLN 243 CO 0.08 0.10 0.34 0.00 -0.67 0.00 0.00 178.83 178.68 3fww h ALA 244 N 1.28 0.88 -0.29 3.87 0.00 -0.86 -1.39 119.26 122.75 3fww h ALA 244 Ca 0.17 0.03 -0.10 0.00 0.00 0.00 0.00 54.91 55.01 3fww h ALA 244 Cb 0.21 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3fww h ALA 244 CO -0.25 -0.02 -0.25 0.93 0.00 0.00 0.00 179.25 179.66 3fww h GLU 245 N 0.61 0.58 -0.59 0.00 5.08 -0.53 -1.20 114.58 118.53 3fww h GLU 245 Ca 0.31 -0.23 -0.04 0.00 -1.00 0.00 0.00 59.36 58.40 3fww h GLU 245 Cb 0.25 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.44 3fww h GLU 245 CO -0.22 0.78 0.21 -0.22 -1.00 0.00 0.00 179.01 178.56 3fww h LYS 246 N 0.50 0.87 -0.16 2.33 3.64 -0.61 -0.70 116.57 122.45 3fww h LYS 246 Ca 0.07 -0.15 -0.22 0.00 -1.27 0.00 0.00 60.65 59.08 3fww h LYS 246 Cb 0.70 -0.15 0.01 0.00 -0.41 0.00 0.00 32.23 32.39 3fww h LYS 246 CO 0.05 0.73 -0.78 -0.07 -2.27 0.00 0.00 179.45 177.12 3fww h LEU 247 N 0.85 0.94 -0.40 5.20 3.38 -0.77 -1.91 115.31 122.60 3fww h LEU 247 Ca 0.20 -0.61 0.03 0.00 0.09 0.00 0.00 57.88 57.58 3fww h LEU 247 Cb 0.21 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 3fww h LEU 247 CO -0.01 1.41 0.21 -0.07 0.09 0.00 0.00 178.44 180.07 3fww h LEU 248 N 0.54 0.32 -1.25 1.67 3.38 -1.13 0.68 115.31 119.53 3fww h LEU 248 Ca -0.05 0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.87 3fww h LEU 248 Cb 1.40 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 42.09 3fww h LEU 248 CO 0.16 0.23 -0.31 -0.07 0.09 0.00 0.00 178.44 178.55 3fww h LEU 249 N 0.43 0.00 -1.12 1.67 3.38 -1.11 -2.53 115.31 116.04 3fww h LEU 249 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 3fww h LEU 249 Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 3fww h LEU 249 CO -0.10 0.31 0.00 0.00 0.09 0.00 0.00 178.44 178.74 3fww n ALA 250 N -2.33 2.52 0.00 1.53 0.00 -0.72 -4.93 120.51 116.58 3fww n ALA 250 Ca -0.01 -0.53 0.00 0.00 0.00 0.00 0.00 53.44 52.90 3fww n ALA 250 Cb 0.42 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.78 3fww n ALA 250 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fww n GLY 251 N 1.13 0.83 3.71 0.00 0.00 -0.78 -5.03 105.19 105.04 3fww n GLY 251 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 3fww n GLY 251 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fww s VAL 252 N -2.00 5.00 -0.27 1.61 1.01 0.16 -4.22 120.40 121.70 3fww s VAL 252 Ca 0.00 1.54 -0.24 0.00 0.00 0.00 0.00 61.98 63.28 3fww s VAL 252 Cb 0.00 -4.09 -0.00 0.00 0.00 0.00 0.00 36.38 32.29 3fww s VAL 252 CO 0.00 0.21 0.83 -0.32 0.00 0.00 0.00 175.10 175.81 3fww s MET 253 N 1.04 4.09 -0.28 2.72 1.75 -0.54 -3.64 119.30 124.45 3fww s MET 253 Ca 0.39 0.82 -0.07 0.00 -1.25 0.00 0.00 55.69 55.58 3fww s MET 253 Cb -0.18 -3.68 -0.00 0.00 2.84 0.00 0.00 34.83 33.81 3fww s MET 253 CO 0.18 -0.60 0.08 -0.51 -0.65 0.00 0.00 175.02 173.52 3fww s LEU 254 N 2.93 3.73 0.55 4.11 1.43 -1.26 -0.53 118.68 129.64 3fww s LEU 254 Ca 0.35 -0.58 0.37 0.00 -1.03 0.00 0.00 54.13 53.23 3fww s LEU 254 Cb -0.15 -1.89 1.82 0.00 0.03 0.00 0.00 46.19 46.00 3fww s LEU 254 CO 0.10 -0.15 2.11 -0.07 0.23 0.00 0.00 176.35 178.56 3fww h LEU 255 N 8.24 0.00 -5.92 1.79 4.07 -1.32 -3.34 115.31 118.83 3fww h LEU 255 Ca -0.33 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.61 3fww h LEU 255 Cb 1.14 0.00 -0.19 0.00 1.08 0.00 0.00 40.66 42.69 3fww h LEU 255 CO 0.60 0.00 -0.39 -0.62 -1.08 0.00 0.00 178.44 176.95 3fww s ASP 256 N -5.10 -1.40 0.18 -0.43 -1.08 -1.26 -4.89 116.67 102.68 3fww s ASP 256 Ca -0.02 -0.52 0.10 0.00 -0.52 0.00 0.00 52.55 51.59 3fww s ASP 256 Cb 0.11 1.80 0.55 0.00 -1.46 0.00 0.00 42.92 43.91 3fww s ASP 256 CO 0.42 -0.18 1.25 -0.81 0.52 0.00 0.00 175.17 176.38 3fww n PRO 257 N 4.54 0.07 0.00 4.34 -0.04 -1.26 -0.87 135.00 141.79 3fww n PRO 257 Ca 0.09 0.53 0.13 0.00 -0.04 0.00 0.00 63.50 64.21 3fww n PRO 257 Cb 0.57 -1.82 0.41 0.00 -0.04 0.00 0.00 33.50 32.62 3fww n PRO 257 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3fww n SER 258 N -1.84 1.45 -2.82 3.54 3.41 -1.26 -3.98 113.62 112.12 3fww n SER 258 Ca -0.01 -1.29 -0.21 0.00 -0.26 0.00 0.00 58.87 57.10 3fww n SER 258 Cb 0.11 0.08 -0.01 0.00 -0.26 0.00 0.00 64.21 64.13 3fww n SER 258 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3fww n ARG 259 N -0.08 2.34 -3.82 4.33 1.74 -0.04 -5.02 116.66 116.11 3fww n ARG 259 Ca 0.15 -4.10 -0.12 0.00 -0.77 0.00 0.00 57.85 53.01 3fww n ARG 259 Cb 0.38 -1.92 -0.12 0.00 -1.02 0.00 0.00 32.46 29.78 3fww n ARG 259 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 3fww s PHE 260 N -3.18 -0.17 -0.03 -1.55 5.36 -1.25 -0.29 117.98 116.88 3fww s PHE 260 Ca 0.42 0.41 -0.01 0.00 -0.96 0.00 0.00 56.93 56.79 3fww s PHE 260 Cb 0.36 0.05 0.03 0.00 -0.34 0.00 0.00 43.02 43.13 3fww s PHE 260 CO -0.10 -0.11 0.05 -0.51 -1.46 0.00 0.00 175.22 173.08 3fww s ASP 261 N -0.06 0.37 -0.21 6.13 1.11 -0.93 -4.92 116.67 118.16 3fww s ASP 261 Ca -0.01 0.07 -0.01 0.00 0.18 0.00 0.00 52.55 52.77 3fww s ASP 261 Cb -0.02 -0.07 0.01 0.00 1.07 0.00 0.00 42.92 43.91 3fww s ASP 261 CO 0.00 -0.17 -0.11 -0.22 1.18 0.00 0.00 175.17 175.85 3fww s LEU 262 N 1.42 2.59 -0.63 1.23 2.96 -1.26 -0.37 118.68 124.61 3fww s LEU 262 Ca -0.05 -0.56 0.06 0.00 -0.22 0.00 0.00 54.13 53.36 3fww s LEU 262 Cb -0.13 -1.62 0.23 0.00 0.50 0.00 0.00 46.19 45.17 3fww s LEU 262 CO -0.03 -0.02 0.65 0.54 -1.32 0.00 0.00 176.35 176.17 3fww n ARG 263 N 4.70 2.15 0.00 1.98 1.74 0.24 -4.90 116.66 122.58 3fww n ARG 263 Ca -0.19 -4.48 0.00 0.00 -0.77 0.00 0.00 57.85 52.40 3fww n ARG 263 Cb 0.50 -2.18 0.00 0.00 -1.02 0.00 0.00 32.46 29.76 3fww n ARG 263 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3fww n GLY 264 N 1.24 0.16 3.00 -0.13 0.00 -1.26 -1.99 105.19 106.21 3fww n GLY 264 Ca 0.27 -0.60 -0.18 0.00 0.00 0.00 0.00 46.02 45.50 3fww n GLY 264 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fww s GLU 265 N 0.00 0.71 -0.26 1.61 2.02 0.59 -4.98 118.70 118.39 3fww s GLU 265 Ca 0.00 -0.29 0.01 0.00 0.02 0.00 0.00 54.97 54.71 3fww s GLU 265 Cb 0.00 -0.69 0.07 0.00 0.10 0.00 0.00 34.13 33.61 3fww s GLU 265 CO 0.00 0.16 -0.02 -1.17 0.02 0.00 0.00 175.26 174.25 3fww s LEU 266 N -0.10 2.81 0.04 1.80 2.96 -1.26 -1.19 118.68 123.73 3fww s LEU 266 Ca 0.02 -1.36 -0.21 0.00 -0.22 0.00 0.00 54.13 52.36 3fww s LEU 266 Cb -0.04 -1.20 -0.06 0.00 0.50 0.00 0.00 46.19 45.39 3fww s LEU 266 CO -0.00 -0.28 0.60 -0.89 -1.32 0.00 0.00 176.35 174.47 3fww s THR 267 N 1.36 4.80 0.03 3.68 2.01 -0.26 -5.00 115.64 122.25 3fww s THR 267 Ca -0.02 1.28 -0.11 0.00 0.31 0.00 0.00 61.69 63.15 3fww s THR 267 Cb -0.19 -3.94 0.01 0.00 0.01 0.00 0.00 72.50 68.39 3fww s THR 267 CO -0.09 0.47 0.23 -1.38 -0.69 0.00 0.00 174.62 173.17 3fww s HIS 268 N -0.58 -0.02 0.00 4.92 -3.43 -1.26 -1.22 115.29 113.70 3fww s HIS 268 Ca 0.31 -0.12 0.00 0.00 -0.80 0.00 0.00 55.06 54.45 3fww s HIS 268 Cb -0.19 0.02 0.00 0.00 -1.43 0.00 0.00 32.58 30.98 3fww s HIS 268 CO 0.19 -0.43 0.00 0.41 -2.00 0.00 0.00 174.74 172.91 3fww n GLY 269 N 0.81 1.86 3.79 -1.38 0.00 -0.42 -4.97 105.19 104.89 3fww n GLY 269 Ca -0.20 -1.86 -0.35 0.00 0.00 0.00 0.00 46.02 43.62 3fww n GLY 269 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3fww s ARG 270 N 3.93 3.17 -1.05 1.61 3.52 -1.26 -4.53 118.95 124.34 3fww s ARG 270 Ca 0.00 -0.36 -0.06 0.00 -0.13 0.00 0.00 55.73 55.19 3fww s ARG 270 Cb 0.00 -2.95 0.01 0.00 -1.56 0.00 0.00 34.95 30.45 3fww s ARG 270 CO 0.00 0.70 0.91 -0.25 -0.81 0.00 0.00 175.30 175.85 3fww n ASP 271 N 1.63 -4.85 -4.78 -2.12 8.00 -1.26 -0.81 116.55 112.36 3fww n ASP 271 Ca -0.16 -0.44 -0.39 0.00 0.71 0.00 0.00 54.79 54.51 3fww n ASP 271 Cb 0.54 -4.10 -0.06 0.00 -0.02 0.00 0.00 41.12 37.47 3fww n ASP 271 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3fww s ILE 272 N -3.26 4.69 -0.14 0.53 1.01 -1.26 -3.48 121.20 119.29 3fww s ILE 272 Ca 0.38 1.40 0.00 0.00 0.00 0.00 0.00 60.65 62.43 3fww s ILE 272 Cb -0.17 -4.00 -0.01 0.00 0.01 0.00 0.00 42.46 38.30 3fww s ILE 272 CO 0.58 0.49 -0.14 -0.89 0.00 0.00 0.00 174.94 174.97 3fww s THR 273 N -0.75 2.87 -0.21 2.92 2.01 -0.27 -1.47 115.64 120.75 3fww s THR 273 Ca 0.32 -0.72 0.02 0.00 0.31 0.00 0.00 61.69 61.62 3fww s THR 273 Cb -0.20 -2.20 0.03 0.00 0.01 0.00 0.00 72.50 70.14 3fww s THR 273 CO 0.21 0.52 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.87 3fww s ILE 274 N 0.51 2.15 0.67 1.82 1.01 0.31 -0.62 121.20 127.04 3fww s ILE 274 Ca -0.10 -1.18 -0.11 0.00 0.00 0.00 0.00 60.65 59.26 3fww s ILE 274 Cb -0.16 -2.04 0.16 0.00 0.01 0.00 0.00 42.46 40.43 3fww s ILE 274 CO 0.04 0.33 0.80 -0.67 0.00 0.00 0.00 174.94 175.44 3fww n ASP 275 N 4.56 -0.49 -4.75 3.58 -0.08 -0.22 -0.96 116.55 118.19 3fww n ASP 275 Ca -0.18 -1.18 -0.36 0.00 -1.51 0.00 0.00 54.79 51.55 3fww n ASP 275 Cb 0.47 -0.64 0.04 0.00 2.34 0.00 0.00 41.12 43.33 3fww n ASP 275 CO 0.00 0.00 0.00 0.42 0.12 0.00 0.00 177.20 177.74 3fww s THR 276 N -2.66 2.49 -1.07 5.18 -4.23 -1.26 -3.98 115.64 110.11 3fww s THR 276 Ca 0.47 0.32 -0.06 0.00 -1.18 0.00 0.00 61.69 61.24 3fww s THR 276 Cb -0.02 -3.13 0.01 0.00 1.34 0.00 0.00 72.50 70.69 3fww s THR 276 CO 0.34 -0.06 0.77 0.59 -0.54 0.00 0.00 174.62 175.73 3fww n ASN 277 N -1.54 -5.24 -4.87 3.99 3.02 0.61 -1.47 115.26 109.75 3fww n ASN 277 Ca 0.13 -0.35 -0.37 0.00 -0.03 0.00 0.00 54.58 53.96 3fww n ASN 277 Cb 0.49 -3.91 -0.06 0.00 -0.61 0.00 0.00 39.78 35.69 3fww n ASN 277 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3fww s VAL 278 N -3.18 5.30 -0.05 2.41 1.01 -1.23 -3.02 120.40 121.63 3fww s VAL 278 Ca 0.38 0.42 0.06 0.00 0.00 0.00 0.00 61.98 62.84 3fww s VAL 278 Cb -0.17 -3.54 -0.01 0.00 0.00 0.00 0.00 36.38 32.66 3fww s VAL 278 CO 0.48 0.55 -0.25 -0.63 0.00 0.00 0.00 175.10 175.25 3fww s ILE 279 N -1.11 2.09 -0.20 2.22 1.01 -0.75 -2.20 121.20 122.26 3fww s ILE 279 Ca 0.21 -1.06 0.02 0.00 0.00 0.00 0.00 60.65 59.81 3fww s ILE 279 Cb -0.14 -1.75 0.03 0.00 0.01 0.00 0.00 42.46 40.61 3fww s ILE 279 CO 0.10 0.57 -0.17 -0.63 0.00 0.00 0.00 174.94 174.81 3fww s ILE 280 N -0.22 2.09 0.28 2.92 -1.09 0.50 -1.52 121.20 124.16 3fww s ILE 280 Ca -0.02 -1.14 0.11 0.00 -2.23 0.00 0.00 60.65 57.37 3fww s ILE 280 Cb -0.13 -1.98 -0.05 0.00 -1.58 0.00 0.00 42.46 38.71 3fww s ILE 280 CO 0.03 0.37 -0.15 -1.61 -1.23 0.00 0.00 174.94 172.36 3fww s GLU 281 N 1.23 1.83 6.48 2.79 2.02 0.49 0.83 118.70 134.37 3fww s GLU 281 Ca 0.01 -1.71 0.00 0.00 0.02 0.00 0.00 54.97 53.29 3fww s GLU 281 Cb -0.15 -1.85 0.00 0.00 0.10 0.00 0.00 34.13 32.23 3fww s GLU 281 CO -0.11 0.32 0.00 0.41 0.02 0.00 0.00 175.26 175.90 3fww n GLY 282 N -0.70 2.89 3.20 -1.39 0.00 -0.84 -2.27 105.19 106.08 3fww n GLY 282 Ca -0.05 -0.34 -0.34 0.00 0.00 0.00 0.00 46.02 45.29 3fww n GLY 282 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3fww s HIS 283 N 0.00 3.05 -0.16 1.61 2.46 -1.26 -0.30 115.29 120.70 3fww s HIS 283 Ca 0.00 -1.54 -0.02 0.00 0.47 0.00 0.00 55.06 53.98 3fww s HIS 283 Cb 0.00 -2.05 -0.02 0.00 -0.13 0.00 0.00 32.58 30.38 3fww s HIS 283 CO 0.00 -0.73 -0.09 0.08 -2.47 0.00 0.00 174.74 171.53 3fww s VAL 284 N 1.33 3.26 -0.26 0.89 1.01 -0.33 -2.98 120.40 123.32 3fww s VAL 284 Ca 0.00 -0.57 -0.07 0.00 0.00 0.00 0.00 61.98 61.34 3fww s VAL 284 Cb -0.16 -2.41 -0.02 0.00 0.00 0.00 0.00 36.38 33.79 3fww s VAL 284 CO -0.05 0.50 0.06 -0.63 0.00 0.00 0.00 175.10 174.98 3fww s ILE 285 N 0.61 4.11 -0.12 2.22 1.09 0.19 -1.11 121.20 128.19 3fww s ILE 285 Ca -0.06 -0.36 0.01 0.00 -1.10 0.00 0.00 60.65 59.14 3fww s ILE 285 Cb -0.15 -2.97 -0.01 0.00 -1.06 0.00 0.00 42.46 38.26 3fww s ILE 285 CO 0.03 0.27 -0.15 -0.76 -0.10 0.00 0.00 174.94 174.23 3fww s LEU 286 N 1.57 2.61 0.00 2.97 1.43 -0.36 -0.87 118.68 126.03 3fww s LEU 286 Ca 0.05 -0.36 -0.03 0.00 -1.03 0.00 0.00 54.13 52.76 3fww s LEU 286 Cb -0.16 -1.58 0.04 0.00 0.03 0.00 0.00 46.19 44.53 3fww s LEU 286 CO 0.02 0.17 0.20 0.61 0.23 0.00 0.00 176.35 177.58 3fww n GLY 287 N 3.48 -1.73 3.76 -3.19 0.00 -0.37 -1.29 105.19 105.85 3fww n GLY 287 Ca -0.18 -1.59 -0.38 0.00 0.00 0.00 0.00 46.02 43.87 3fww n GLY 287 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3fww s ASP 288 N -1.87 5.96 -1.26 1.61 1.01 -1.26 -3.81 116.67 117.05 3fww s ASP 288 Ca 0.12 2.59 0.00 0.00 0.71 0.00 0.00 52.55 55.97 3fww s ASP 288 Cb -0.01 -2.63 0.00 0.00 1.01 0.00 0.00 42.92 41.30 3fww s ASP 288 CO 0.09 -1.08 0.00 0.54 0.21 0.00 0.00 175.17 174.92 3fww n ARG 289 N -0.38 -1.18 -2.31 8.23 1.74 0.01 -0.79 116.66 121.97 3fww n ARG 289 Ca 0.07 0.89 -0.39 0.00 -0.77 0.00 0.00 57.85 57.64 3fww n ARG 289 Cb 0.45 -5.04 -0.03 0.00 -1.02 0.00 0.00 32.46 26.83 3fww n ARG 289 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3fww s VAL 290 N -2.26 3.16 -0.13 1.55 1.01 -1.25 -4.15 120.40 118.33 3fww s VAL 290 Ca 0.00 1.07 0.03 0.00 0.00 0.00 0.00 61.98 63.08 3fww s VAL 290 Cb 0.00 -3.64 0.01 0.00 0.00 0.00 0.00 36.38 32.74 3fww s VAL 290 CO 0.00 0.18 -0.22 -0.13 0.00 0.00 0.00 175.10 174.94 3fww s ARG 291 N -1.94 3.04 -0.20 2.72 0.52 -0.70 -1.12 118.95 121.27 3fww s ARG 291 Ca 0.51 -0.85 -0.01 0.00 -0.52 0.00 0.00 55.73 54.86 3fww s ARG 291 Cb -0.33 -2.43 0.00 0.00 0.52 0.00 0.00 34.95 32.72 3fww s ARG 291 CO 0.42 0.02 -0.12 0.42 0.02 0.00 0.00 175.30 176.06 3fww s ILE 292 N 0.74 2.75 0.98 1.52 1.01 0.21 0.16 121.20 128.57 3fww s ILE 292 Ca -0.09 -0.71 -0.16 0.00 0.00 0.00 0.00 60.65 59.69 3fww s ILE 292 Cb -0.16 -2.21 0.22 0.00 0.01 0.00 0.00 42.46 40.32 3fww s ILE 292 CO -0.00 0.48 1.34 -0.83 0.00 0.00 0.00 174.94 175.93 3fww s GLY 293 N 1.33 1.82 0.38 6.18 0.00 0.13 -1.05 107.32 116.11 3fww s GLY 293 Ca 0.04 -1.33 -0.27 0.00 0.00 0.00 0.00 44.72 43.16 3fww s GLY 293 CO -0.07 -0.52 1.39 -1.08 0.00 0.00 0.00 173.10 172.82 3fww s THR 294 N -3.92 2.34 0.00 0.90 -1.32 -1.26 -3.34 115.64 109.05 3fww s THR 294 Ca 0.76 0.33 0.00 0.00 -1.21 0.00 0.00 61.69 61.57 3fww s THR 294 Cb -0.02 -3.21 0.00 0.00 -1.51 0.00 0.00 72.50 67.76 3fww s THR 294 CO 0.53 0.07 0.00 0.61 -2.21 0.00 0.00 174.62 173.62 3fww n GLY 295 N 0.61 0.81 3.79 6.08 0.00 -0.54 -0.77 105.19 115.17 3fww n GLY 295 Ca 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 3fww n GLY 295 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fww s VAL 297 N -1.69 2.15 -0.11 0.00 1.01 -0.90 -1.81 120.40 119.04 3fww s VAL 297 Ca 0.55 -0.94 0.03 0.00 0.00 0.00 0.00 61.98 61.61 3fww s VAL 297 Cb -0.19 -1.87 0.01 0.00 0.00 0.00 0.00 36.38 34.32 3fww s VAL 297 CO 0.24 0.54 -0.19 -0.76 0.00 0.00 0.00 175.10 174.93 3fww s LEU 298 N 0.91 1.93 -0.17 3.92 1.02 -0.58 -1.36 118.68 124.35 3fww s LEU 298 Ca -0.04 -0.50 -0.02 0.00 0.02 0.00 0.00 54.13 53.59 3fww s LEU 298 Cb -0.15 -1.25 0.05 0.00 0.02 0.00 0.00 46.19 44.86 3fww s LEU 298 CO -0.04 0.09 0.00 -0.75 0.02 0.00 0.00 176.35 175.67 3fww s LYS 299 N 0.66 0.89 -1.08 1.70 2.20 -0.28 -0.38 119.74 123.46 3fww s LYS 299 Ca -0.13 -0.41 -0.05 0.00 -0.36 0.00 0.00 55.97 55.03 3fww s LYS 299 Cb -0.16 -1.95 -0.06 0.00 -1.51 0.00 0.00 37.83 34.15 3fww s LYS 299 CO 0.03 -0.54 0.93 0.09 -0.36 0.00 0.00 175.35 175.50 3fww n ASN 300 N 5.00 -5.78 -4.25 1.43 3.02 -0.96 -0.47 115.26 113.24 3fww n ASN 300 Ca -0.10 -0.70 -0.23 0.00 -0.03 0.00 0.00 54.58 53.52 3fww n ASN 300 Cb 0.47 -5.18 -0.13 0.00 -0.61 0.00 0.00 39.78 34.33 3fww n ASN 300 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3fww s VAL 302 N -1.06 3.08 -0.14 0.00 1.01 -0.81 -0.64 120.40 121.83 3fww s VAL 302 Ca 0.05 -0.62 0.02 0.00 0.00 0.00 0.00 61.98 61.44 3fww s VAL 302 Cb -0.10 -2.34 0.01 0.00 0.00 0.00 0.00 36.38 33.95 3fww s VAL 302 CO 0.03 0.48 -0.20 -0.63 0.00 0.00 0.00 175.10 174.78 3fww s ILE 303 N 0.95 1.96 0.65 2.22 -1.09 -0.05 -0.90 121.20 124.94 3fww s ILE 303 Ca -0.02 -0.91 -0.11 0.00 -2.23 0.00 0.00 60.65 57.38 3fww s ILE 303 Cb -0.15 -1.75 -0.02 0.00 -1.58 0.00 0.00 42.46 38.96 3fww s ILE 303 CO -0.01 0.53 1.05 -0.83 -1.23 0.00 0.00 174.94 174.45 3fww s GLY 304 N 0.94 1.65 0.08 6.18 0.00 0.24 -1.23 107.32 115.18 3fww s GLY 304 Ca -0.05 -0.12 -0.36 0.00 0.00 0.00 0.00 44.72 44.19 3fww s GLY 304 CO -0.04 0.17 0.98 1.22 0.00 0.00 0.00 173.10 175.43 3fww n ASP 305 N -2.86 0.03 0.00 1.64 8.00 -1.26 -2.34 116.55 119.76 3fww n ASP 305 Ca 0.06 1.15 0.00 0.00 0.71 0.00 0.00 54.79 56.71 3fww n ASP 305 Cb 0.55 -0.99 0.00 0.00 -0.02 0.00 0.00 41.12 40.66 3fww n ASP 305 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3fww n ASP 306 N 1.76 -0.63 -4.76 -2.24 9.92 0.03 -1.27 116.55 119.37 3fww n ASP 306 Ca 0.19 0.00 -0.35 0.00 -0.53 0.00 0.00 54.79 54.10 3fww n ASP 306 Cb 0.15 -0.54 0.04 0.00 -0.64 0.00 0.00 41.12 40.13 3fww n ASP 306 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 3fww s SER 307 N -2.68 5.14 -0.16 -2.24 0.01 -0.99 -4.32 113.70 108.46 3fww s SER 307 Ca 0.00 2.24 0.01 0.00 1.31 0.00 0.00 55.95 59.50 3fww s SER 307 Cb 0.00 -2.58 0.02 0.00 0.21 0.00 0.00 66.02 63.67 3fww s SER 307 CO 0.00 -1.62 -0.16 -0.70 0.41 0.00 0.00 173.24 171.17 3fww s GLU 308 N -3.60 2.48 -0.34 12.44 2.56 -0.78 -1.72 118.70 129.74 3fww s GLU 308 Ca 0.73 -0.65 -0.10 0.00 0.00 0.00 0.00 54.97 54.94 3fww s GLU 308 Cb -0.26 -2.26 0.01 0.00 2.00 0.00 0.00 34.13 33.62 3fww s GLU 308 CO 0.36 -0.24 0.18 0.42 -0.56 0.00 0.00 175.26 175.41 3fww s ILE 309 N 1.43 4.65 0.76 -3.70 -1.09 0.12 -2.40 121.20 120.97 3fww s ILE 309 Ca 0.05 -0.58 -0.12 0.00 -2.23 0.00 0.00 60.65 57.77 3fww s ILE 309 Cb -0.13 -3.46 0.04 0.00 -1.58 0.00 0.00 42.46 37.33 3fww s ILE 309 CO -0.11 -0.06 1.10 -0.44 -1.23 0.00 0.00 174.94 174.20 3fww s SER 310 N 1.60 4.94 0.69 3.58 0.01 0.12 0.21 113.70 124.85 3fww s SER 310 Ca 0.04 1.18 -0.17 0.00 1.31 0.00 0.00 55.95 58.32 3fww s SER 310 Cb -0.18 -1.93 -0.01 0.00 0.21 0.00 0.00 66.02 64.11 3fww s SER 310 CO 0.07 -1.67 0.99 -2.65 0.41 0.00 0.00 173.24 170.39 3fww n PRO 311 N -3.22 0.64 -3.64 12.44 -0.02 -1.26 -3.73 135.00 136.21 3fww n PRO 311 Ca 0.07 0.27 -0.21 0.00 -2.02 0.00 0.00 63.50 61.61 3fww n PRO 311 Cb 0.57 -2.23 0.04 0.00 -0.02 0.00 0.00 33.50 31.86 3fww n PRO 311 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3fww n TYR 312 N -2.29 -1.98 -5.15 6.00 4.02 0.05 -2.51 117.16 115.31 3fww n TYR 312 Ca 0.13 0.81 -0.32 0.00 -0.01 0.00 0.00 57.90 58.52 3fww n TYR 312 Cb 0.49 -4.34 -0.16 0.00 -0.02 0.00 0.00 39.34 35.31 3fww n TYR 312 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 3fww s THR 313 N -3.60 2.32 -0.10 -0.72 2.01 -1.24 -1.85 115.64 112.46 3fww s THR 313 Ca 0.08 -0.97 0.02 0.00 0.31 0.00 0.00 61.69 61.14 3fww s THR 313 Cb -0.02 -1.87 -0.02 0.00 0.01 0.00 0.00 72.50 70.60 3fww s THR 313 CO 0.80 0.57 -0.16 -0.69 -0.69 0.00 0.00 174.62 174.45 3fww s VAL 314 N -0.16 2.79 -0.01 3.82 1.01 -0.24 -2.11 120.40 125.50 3fww s VAL 314 Ca -0.03 -0.78 0.01 0.00 0.00 0.00 0.00 61.98 61.18 3fww s VAL 314 Cb -0.14 -2.12 0.00 0.00 0.00 0.00 0.00 36.38 34.12 3fww s VAL 314 CO 0.04 0.55 -0.04 -0.76 0.00 0.00 0.00 175.10 174.89 3fww s LEU 315 N 0.01 1.78 -0.06 3.92 1.02 -0.47 -0.28 118.68 124.60 3fww s LEU 315 Ca -0.05 -0.08 -0.03 0.00 0.02 0.00 0.00 54.13 53.99 3fww s LEU 315 Cb -0.15 -0.27 0.04 0.00 0.02 0.00 0.00 46.19 45.83 3fww s LEU 315 CO 0.05 0.02 0.14 -0.70 0.02 0.00 0.00 176.35 175.87 3fww s GLU 316 N 0.21 0.09 -1.55 1.70 2.12 -0.71 -1.12 118.70 119.44 3fww s GLU 316 Ca -0.02 0.36 -0.09 0.00 0.36 0.00 0.00 54.97 55.58 3fww s GLU 316 Cb -0.06 -0.18 0.08 0.00 0.26 0.00 0.00 34.13 34.23 3fww s GLU 316 CO -0.00 -0.16 0.63 -0.25 -0.54 0.00 0.00 175.26 174.93 3fww n ASP 317 N 4.19 -2.01 -4.48 -1.70 8.00 0.37 -1.85 116.55 119.08 3fww n ASP 317 Ca -0.26 -0.99 -0.27 0.00 0.71 0.00 0.00 54.79 53.98 3fww n ASP 317 Cb 0.52 -2.99 -0.11 0.00 -0.02 0.00 0.00 41.12 38.52 3fww n ASP 317 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3fww s ALA 318 N -3.62 2.69 -0.06 2.24 0.00 -1.22 -2.15 121.76 119.64 3fww s ALA 318 Ca 0.38 -1.59 0.02 0.00 0.00 0.00 0.00 51.96 50.78 3fww s ALA 318 Cb -0.21 -0.47 0.01 0.00 0.00 0.00 0.00 23.12 22.45 3fww s ALA 318 CO 0.90 0.44 -0.12 0.50 0.00 0.00 0.00 175.76 177.48 3fww s ARG 319 N -2.74 1.54 -0.07 0.00 3.52 -0.32 -1.93 118.95 118.96 3fww s ARG 319 Ca 0.22 -0.40 0.05 0.00 -0.13 0.00 0.00 55.73 55.48 3fww s ARG 319 Cb -0.08 -1.31 -0.01 0.00 -1.56 0.00 0.00 34.95 31.99 3fww s ARG 319 CO 0.12 0.06 -0.24 -0.51 -0.81 0.00 0.00 175.30 173.91 3fww s LEU 320 N 0.54 2.06 0.00 -0.88 1.02 -0.08 -0.38 118.68 120.97 3fww s LEU 320 Ca -0.12 -0.51 0.00 0.00 0.02 0.00 0.00 54.13 53.52 3fww s LEU 320 Cb -0.14 -1.35 0.00 0.00 0.02 0.00 0.00 46.19 44.72 3fww s LEU 320 CO 0.03 0.21 0.00 0.47 0.02 0.00 0.00 176.35 177.08 3fww n ASP 321 N 3.15 0.00 -4.76 2.29 8.00 -0.24 -0.59 116.55 124.40 3fww n ASP 321 Ca -0.18 -0.77 -0.35 0.00 0.71 0.00 0.00 54.79 54.20 3fww n ASP 321 Cb 0.52 0.00 0.03 0.00 -0.02 0.00 0.00 41.12 41.65 3fww n ASP 321 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3fww s ALA 322 N -3.93 2.56 -1.74 2.24 0.00 -1.26 -3.37 121.76 116.26 3fww s ALA 322 Ca 0.00 0.85 0.00 0.00 0.00 0.00 0.00 51.96 52.81 3fww s ALA 322 Cb 0.00 -3.39 0.00 0.00 0.00 0.00 0.00 23.12 19.73 3fww s ALA 322 CO 0.00 -1.08 0.00 0.09 0.00 0.00 0.00 175.76 174.77 3fww n ASN 323 N -1.71 -4.98 -4.88 0.00 3.02 -0.39 -0.93 115.26 105.38 3fww n ASN 323 Ca 0.12 0.39 -0.30 0.00 -0.03 0.00 0.00 54.58 54.77 3fww n ASN 323 Cb 0.51 -3.94 0.01 0.00 -0.61 0.00 0.00 39.78 35.75 3fww n ASN 323 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3fww s THR 325 N -3.03 0.33 -0.05 0.00 -4.23 -0.11 -1.86 115.64 106.68 3fww s THR 325 Ca 0.52 -0.11 -0.03 0.00 -1.18 0.00 0.00 61.69 60.89 3fww s THR 325 Cb -0.11 -0.32 0.03 0.00 1.34 0.00 0.00 72.50 73.44 3fww s THR 325 CO 0.51 0.12 0.12 0.54 -0.54 0.00 0.00 174.62 175.37 3fww s VAL 326 N 0.30 -0.03 0.00 2.29 0.11 -1.01 -0.77 120.40 121.29 3fww s VAL 326 Ca -0.03 0.11 0.00 0.00 -2.93 0.00 0.00 61.98 59.13 3fww s VAL 326 Cb -0.06 -0.20 0.00 0.00 -1.53 0.00 0.00 36.38 34.59 3fww s VAL 326 CO -0.00 0.05 0.00 0.61 -3.33 0.00 0.00 175.10 172.42 3fww n GLY 327 N 3.75 -2.92 3.71 6.54 0.00 -0.24 -0.70 105.19 115.33 3fww n GLY 327 Ca -0.21 -2.11 -0.30 0.00 0.00 0.00 0.00 46.02 43.39 3fww n GLY 327 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3fww s PRO 328 N -0.58 1.31 -0.92 1.61 0.04 -1.26 -4.29 135.00 130.91 3fww s PRO 328 Ca 0.00 0.91 -0.05 0.00 0.04 0.00 0.00 61.00 61.90 3fww s PRO 328 Cb 0.00 -1.81 0.01 0.00 0.04 0.00 0.00 34.50 32.74 3fww s PRO 328 CO 0.00 -2.23 0.80 1.19 0.04 0.00 0.00 177.00 176.80 3fww n PHE 329 N -3.89 -1.92 -4.26 0.56 3.72 -0.77 -3.30 117.46 107.61 3fww n PHE 329 Ca 0.07 0.69 -0.28 0.00 -0.05 0.00 0.00 57.45 57.88 3fww n PHE 329 Cb 0.55 -3.84 -0.10 0.00 -0.94 0.00 0.00 39.48 35.15 3fww n PHE 329 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3fww s ALA 330 N -3.22 2.94 -0.22 4.37 0.00 -1.23 0.01 121.76 124.41 3fww s ALA 330 Ca 0.35 -1.35 -0.02 0.00 0.00 0.00 0.00 51.96 50.93 3fww s ALA 330 Cb -0.15 -0.82 0.07 0.00 0.00 0.00 0.00 23.12 22.22 3fww s ALA 330 CO 0.50 0.56 0.04 0.50 0.00 0.00 0.00 175.76 177.36 3fww s ARG 331 N -2.48 0.75 -0.17 0.00 3.00 -0.35 -1.08 118.95 118.61 3fww s ARG 331 Ca 0.23 -0.59 -0.04 0.00 -1.00 0.00 0.00 55.73 54.33 3fww s ARG 331 Cb -0.10 -2.12 -0.02 0.00 0.00 0.00 0.00 34.95 32.71 3fww s ARG 331 CO 0.14 -0.70 -0.03 -0.51 0.00 0.00 0.00 175.30 174.20 3fww s LEU 332 N 1.78 3.22 0.42 -0.88 1.43 0.61 -1.20 118.68 124.06 3fww s LEU 332 Ca 0.00 -0.17 0.07 0.00 -1.03 0.00 0.00 54.13 53.01 3fww s LEU 332 Cb -0.17 -1.79 -0.03 0.00 0.03 0.00 0.00 46.19 44.23 3fww s LEU 332 CO -0.11 0.12 0.33 -0.13 0.23 0.00 0.00 176.35 176.79 3fww s ARG 333 N 0.64 2.43 0.19 1.70 0.52 0.61 -1.73 118.95 123.31 3fww s ARG 333 Ca -0.02 -1.65 -0.32 0.00 -0.52 0.00 0.00 55.73 53.23 3fww s ARG 333 Cb -0.14 -2.25 -0.16 0.00 0.52 0.00 0.00 34.95 32.91 3fww s ARG 333 CO 0.02 -0.20 1.05 -2.30 0.02 0.00 0.00 175.30 173.89 3fww n PRO 334 N -1.48 1.01 0.00 3.54 -0.02 -0.77 -0.99 135.00 136.28 3fww n PRO 334 Ca 0.02 0.36 0.00 0.00 -2.02 0.00 0.00 63.50 61.86 3fww n PRO 334 Cb 0.63 -1.77 0.00 0.00 -0.02 0.00 0.00 33.50 32.33 3fww n PRO 334 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3fww n GLY 335 N 1.82 1.67 3.70 -1.23 0.00 -0.91 -2.04 105.19 108.19 3fww n GLY 335 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 3fww n GLY 335 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fww s ALA 336 N -2.34 3.72 -0.04 4.61 0.00 -0.16 -2.94 121.76 124.61 3fww s ALA 336 Ca 0.00 1.28 0.01 0.00 0.00 0.00 0.00 51.96 53.25 3fww s ALA 336 Cb 0.00 -3.69 0.02 0.00 0.00 0.00 0.00 23.12 19.46 3fww s ALA 336 CO 0.00 -1.04 -0.03 -1.21 0.00 0.00 0.00 175.76 173.48 3fww s GLU 337 N 2.26 0.69 -0.17 0.00 2.02 0.32 -1.17 118.70 122.66 3fww s GLU 337 Ca 0.74 -0.04 -0.02 0.00 0.02 0.00 0.00 54.97 55.67 3fww s GLU 337 Cb -0.42 -0.77 -0.01 0.00 0.10 0.00 0.00 34.13 33.03 3fww s GLU 337 CO 0.32 -0.12 -0.10 -0.51 0.02 0.00 0.00 175.26 174.88 3fww s LEU 338 N 1.05 2.76 0.92 1.80 1.02 0.49 -0.95 118.68 125.77 3fww s LEU 338 Ca -0.09 -0.37 -0.13 0.00 0.02 0.00 0.00 54.13 53.56 3fww s LEU 338 Cb -0.14 -1.66 0.14 0.00 0.02 0.00 0.00 46.19 44.56 3fww s LEU 338 CO -0.01 0.08 1.16 0.00 0.02 0.00 0.00 176.35 177.61 3fww s ALA 339 N 0.86 1.90 0.10 4.21 0.00 -0.36 -1.08 121.76 127.39 3fww s ALA 339 Ca -0.03 -0.65 -0.36 0.00 0.00 0.00 0.00 51.96 50.92 3fww s ALA 339 Cb -0.15 -2.98 -0.16 0.00 0.00 0.00 0.00 23.12 19.83 3fww s ALA 339 CO 0.00 -2.28 1.43 -1.91 0.00 0.00 0.00 175.76 173.00 3fww n GLU 340 N -3.75 1.46 -1.32 0.00 2.13 -1.26 -1.61 120.64 116.28 3fww n GLU 340 Ca 0.08 0.53 -0.11 0.00 0.66 0.00 0.00 57.16 58.32 3fww n GLU 340 Cb 0.60 -2.21 -0.05 0.00 0.27 0.00 0.00 31.44 30.05 3fww n GLU 340 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3fww n GLY 341 N 2.85 1.18 3.79 8.31 0.00 -0.11 -1.39 105.19 119.82 3fww n GLY 341 Ca 0.18 -0.25 -0.34 0.00 0.00 0.00 0.00 46.02 45.62 3fww n GLY 341 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fww s ALA 342 N -2.24 2.73 -0.05 4.61 0.00 -0.63 -3.85 121.76 122.33 3fww s ALA 342 Ca 0.00 0.55 0.03 0.00 0.00 0.00 0.00 51.96 52.54 3fww s ALA 342 Cb 0.00 -3.27 0.01 0.00 0.00 0.00 0.00 23.12 19.85 3fww s ALA 342 CO 0.00 -0.72 -0.13 -1.58 0.00 0.00 0.00 175.76 173.33 3fww s HIS 343 N -2.18 1.43 -0.08 0.00 2.46 -0.11 -0.93 115.29 115.88 3fww s HIS 343 Ca 0.67 -0.45 0.04 0.00 0.47 0.00 0.00 55.06 55.78 3fww s HIS 343 Cb -0.18 -1.01 0.00 0.00 -0.13 0.00 0.00 32.58 31.26 3fww s HIS 343 CO 0.31 -0.20 -0.20 0.08 -2.47 0.00 0.00 174.74 172.26 3fww s VAL 344 N 0.35 1.70 0.00 0.89 1.01 0.05 -0.58 120.40 123.82 3fww s VAL 344 Ca -0.08 -0.82 0.00 0.00 0.00 0.00 0.00 61.98 61.07 3fww s VAL 344 Cb -0.13 -1.49 0.00 0.00 0.00 0.00 0.00 36.38 34.77 3fww s VAL 344 CO 0.02 0.48 0.00 0.61 0.00 0.00 0.00 175.10 176.22 3fww n GLY 345 N 3.53 2.52 3.75 4.51 0.00 0.11 -1.08 105.19 118.52 3fww n GLY 345 Ca -0.20 -1.98 -0.40 0.00 0.00 0.00 0.00 46.02 43.44 3fww n GLY 345 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fww s ASN 346 N -0.75 7.60 -1.06 1.61 6.03 -0.94 -3.78 114.94 123.65 3fww s ASN 346 Ca 0.00 1.98 -0.05 0.00 -1.03 0.00 0.00 52.86 53.76 3fww s ASN 346 Cb 0.00 -2.61 0.01 0.00 -3.03 0.00 0.00 41.25 35.61 3fww s ASN 346 CO 0.00 0.12 0.92 0.49 -2.03 0.00 0.00 177.10 176.60 3fww n PHE 347 N 1.44 -2.19 -5.05 1.54 3.72 0.10 -1.92 117.46 115.10 3fww n PHE 347 Ca -0.02 0.81 -0.29 0.00 -0.05 0.00 0.00 57.45 57.89 3fww n PHE 347 Cb 0.47 -4.32 -0.17 0.00 -0.94 0.00 0.00 39.48 34.52 3fww n PHE 347 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 3fww s VAL 348 N -3.27 1.78 -0.08 -4.37 1.01 -1.24 -1.95 120.40 112.28 3fww s VAL 348 Ca 0.35 -0.88 0.03 0.00 0.00 0.00 0.00 61.98 61.48 3fww s VAL 348 Cb -0.16 -1.54 -0.02 0.00 0.00 0.00 0.00 36.38 34.67 3fww s VAL 348 CO 0.59 0.50 -0.17 -0.70 0.00 0.00 0.00 175.10 175.32 3fww s GLU 349 N 0.23 2.87 -0.12 2.72 2.12 -0.44 -1.22 118.70 124.86 3fww s GLU 349 Ca -0.12 -0.75 0.02 0.00 0.36 0.00 0.00 54.97 54.48 3fww s GLU 349 Cb -0.15 -2.41 0.01 0.00 0.26 0.00 0.00 34.13 31.84 3fww s GLU 349 CO 0.06 0.39 -0.17 0.42 -0.54 0.00 0.00 175.26 175.42 3fww s ILE 350 N -0.14 1.63 -0.03 -3.70 -1.09 -0.34 -1.00 121.20 116.53 3fww s ILE 350 Ca -0.02 -0.72 0.03 0.00 -2.23 0.00 0.00 60.65 57.71 3fww s ILE 350 Cb -0.14 -1.48 0.00 0.00 -1.58 0.00 0.00 42.46 39.27 3fww s ILE 350 CO 0.04 0.47 -0.11 -0.75 -1.23 0.00 0.00 174.94 173.35 3fww s LYS 351 N 0.96 1.14 -0.58 2.79 2.20 0.12 -0.29 119.74 126.10 3fww s LYS 351 Ca -0.06 -0.38 -0.12 0.00 -0.36 0.00 0.00 55.97 55.04 3fww s LYS 351 Cb -0.15 -1.05 0.02 0.00 -1.51 0.00 0.00 37.83 35.14 3fww s LYS 351 CO -0.02 0.16 0.23 1.63 -0.36 0.00 0.00 175.35 176.98 3fww n LYS 352 N 3.20 -0.75 -3.93 4.03 5.02 -0.87 -1.00 118.16 123.87 3fww n LYS 352 Ca -0.18 -0.20 -0.10 0.00 -2.02 0.00 0.00 58.31 55.82 3fww n LYS 352 Cb 0.54 -0.80 -0.12 0.00 -0.02 0.00 0.00 35.03 34.63 3fww n LYS 352 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3fww s ALA 353 N -4.17 -0.00 -0.12 7.82 0.00 -1.15 -1.04 121.76 123.10 3fww s ALA 353 Ca 0.17 -0.33 0.01 0.00 0.00 0.00 0.00 51.96 51.81 3fww s ALA 353 Cb -0.09 0.09 -0.01 0.00 0.00 0.00 0.00 23.12 23.10 3fww s ALA 353 CO 0.44 -0.13 -0.17 0.50 0.00 0.00 0.00 175.76 176.40 3fww s ARG 354 N -1.03 3.25 -0.34 0.00 3.52 -0.48 -0.52 118.95 123.36 3fww s ARG 354 Ca -0.11 -0.76 -0.04 0.00 -0.13 0.00 0.00 55.73 54.68 3fww s ARG 354 Cb -0.07 -2.50 0.05 0.00 -1.56 0.00 0.00 34.95 30.87 3fww s ARG 354 CO -0.00 0.20 0.08 -1.17 -0.81 0.00 0.00 175.30 173.60 3fww s LEU 355 N 0.35 4.32 0.00 -0.88 2.96 -0.12 -1.00 118.68 124.31 3fww s LEU 355 Ca -0.14 -1.33 -0.13 0.00 -0.22 0.00 0.00 54.13 52.31 3fww s LEU 355 Cb -0.17 -1.81 0.20 0.00 0.50 0.00 0.00 46.19 44.91 3fww s LEU 355 CO 0.07 -0.34 0.62 0.61 -1.32 0.00 0.00 176.35 175.99 3fww n GLY 356 N 4.71 -2.98 3.65 7.98 0.00 -0.29 -1.22 105.19 117.04 3fww n GLY 356 Ca -0.11 -1.42 -0.52 0.00 0.00 0.00 0.00 46.02 43.97 3fww n GLY 356 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3fww n LYS 357 N -3.72 1.60 -1.30 1.61 5.02 -1.26 -1.32 118.16 118.78 3fww n LYS 357 Ca 0.09 0.56 -0.10 0.00 -2.02 0.00 0.00 58.31 56.84 3fww n LYS 357 Cb 0.35 -2.42 -0.04 0.00 -0.02 0.00 0.00 35.03 32.90 3fww n LYS 357 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3fww n GLY 358 N 4.74 1.11 3.82 0.72 0.00 -0.49 -1.30 105.19 113.79 3fww n GLY 358 Ca 0.28 -0.25 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 3fww n GLY 358 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3fww s SER 359 N -2.61 6.41 -0.07 1.61 0.01 -0.44 -4.31 113.70 114.29 3fww s SER 359 Ca 0.00 1.74 0.03 0.00 1.31 0.00 0.00 55.95 59.03 3fww s SER 359 Cb 0.00 -2.53 0.01 0.00 0.21 0.00 0.00 66.02 63.71 3fww s SER 359 CO 0.00 -0.74 -0.16 -0.54 0.41 0.00 0.00 173.24 172.22 3fww s LYS 360 N -3.71 2.10 -0.41 12.44 1.02 -0.42 -0.93 119.74 129.83 3fww s LYS 360 Ca 0.63 -0.56 0.02 0.00 0.02 0.00 0.00 55.97 56.07 3fww s LYS 360 Cb -0.13 -1.68 0.12 0.00 -0.52 0.00 0.00 37.83 35.63 3fww s LYS 360 CO 0.27 0.08 0.19 0.00 -0.92 0.00 0.00 175.35 174.97 3fww s ALA 361 N 0.54 2.15 0.01 5.17 0.00 0.26 -0.95 121.76 128.93 3fww s ALA 361 Ca -0.15 -2.43 0.11 0.00 0.00 0.00 0.00 51.96 49.49 3fww s ALA 361 Cb -0.16 -1.85 -0.17 0.00 0.00 0.00 0.00 23.12 20.93 3fww s ALA 361 CO 0.05 -1.94 1.07 0.78 0.00 0.00 0.00 175.76 175.72 3fww h GLY 362 N 7.09 0.00 -5.00 0.00 0.00 -1.81 0.30 103.07 103.66 3fww h GLY 362 Ca -0.05 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.21 3fww h GLY 362 CO 0.50 0.00 -0.00 0.30 0.00 0.00 0.00 176.54 177.33 3fww s HIS 363 N -2.73 -0.65 -1.65 5.60 0.09 -1.26 -2.21 115.29 112.48 3fww s HIS 363 Ca -0.01 1.54 -0.17 0.00 -0.00 0.00 0.00 55.06 56.43 3fww s HIS 363 Cb 0.09 0.24 0.13 0.00 -0.00 0.00 0.00 32.58 33.04 3fww s HIS 363 CO 0.81 -0.34 0.85 1.28 -0.00 0.00 0.00 174.74 177.34 3fww n LEU 364 N 2.58 -2.00 -4.38 0.89 7.99 -0.81 -2.22 117.00 119.05 3fww n LEU 364 Ca -0.14 -0.93 -0.26 0.00 -0.01 0.00 0.00 56.01 54.66 3fww n LEU 364 Cb 0.56 -2.25 -0.12 0.00 -0.11 0.00 0.00 43.42 41.50 3fww n LEU 364 CO 0.08 0.35 -0.53 -0.44 -1.51 0.00 0.00 177.39 175.35 3fww s SER 365 N -3.31 3.16 -0.15 -1.43 0.01 -1.04 -2.49 113.70 108.45 3fww s SER 365 Ca 0.71 -0.82 0.01 0.00 1.31 0.00 0.00 55.95 57.16 3fww s SER 365 Cb -0.38 -0.21 0.02 0.00 0.21 0.00 0.00 66.02 65.66 3fww s SER 365 CO 0.89 0.10 -0.17 -0.47 0.41 0.00 0.00 173.24 174.00 3fww s TYR 366 N -1.56 2.36 -0.22 2.43 5.04 -0.69 -1.33 117.35 123.39 3fww s TYR 366 Ca 0.17 -1.30 0.01 0.00 -2.44 0.00 0.00 57.07 53.51 3fww s TYR 366 Cb -0.08 -1.68 0.05 0.00 0.35 0.00 0.00 41.96 40.60 3fww s TYR 366 CO 0.08 -0.66 -0.09 -0.51 -1.34 0.00 0.00 175.55 173.03 3fww s LEU 367 N 1.25 2.47 0.09 6.97 1.43 -0.17 -1.56 118.68 129.16 3fww s LEU 367 Ca 0.01 -1.03 0.07 0.00 -1.03 0.00 0.00 54.13 52.15 3fww s LEU 367 Cb -0.14 -1.24 -0.03 0.00 0.03 0.00 0.00 46.19 44.81 3fww s LEU 367 CO -0.08 -0.18 -0.17 -0.83 0.23 0.00 0.00 176.35 175.31 3fww s GLY 368 N 1.37 1.05 -1.45 -3.19 0.00 -1.24 0.15 107.32 104.01 3fww s GLY 368 Ca -0.03 -1.13 -0.07 0.00 0.00 0.00 0.00 44.72 43.49 3fww s GLY 368 CO -0.07 -1.14 0.73 1.22 0.00 0.00 0.00 173.10 173.83 3fww n ASP 369 N 1.16 -2.35 -4.17 1.64 8.00 -0.17 -4.72 116.55 115.95 3fww n ASP 369 Ca -0.20 -0.88 -0.26 0.00 0.71 0.00 0.00 54.79 54.17 3fww n ASP 369 Cb 0.54 -3.60 -0.16 0.00 -0.02 0.00 0.00 41.12 37.88 3fww n ASP 369 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3fww s ALA 370 N -3.58 1.53 -0.33 2.24 0.00 -1.02 -1.55 121.76 119.05 3fww s ALA 370 Ca 0.30 -0.76 -0.02 0.00 0.00 0.00 0.00 51.96 51.48 3fww s ALA 370 Cb -0.15 -0.43 0.06 0.00 0.00 0.00 0.00 23.12 22.60 3fww s ALA 370 CO 0.85 0.34 0.05 -2.00 0.00 0.00 0.00 175.76 175.00 3fww s GLU 371 N -0.28 2.31 -0.08 0.00 2.56 0.65 -1.39 118.70 122.47 3fww s GLU 371 Ca 0.03 -1.40 0.02 0.00 0.00 0.00 0.00 54.97 53.62 3fww s GLU 371 Cb -0.09 -3.28 -0.02 0.00 2.00 0.00 0.00 34.13 32.75 3fww s GLU 371 CO 0.00 -0.73 -0.16 0.42 -0.56 0.00 0.00 175.26 174.24 3fww s ILE 372 N 1.22 2.89 0.00 -3.70 1.01 -0.17 -0.51 121.20 121.93 3fww s ILE 372 Ca -0.02 -0.76 0.00 0.00 0.00 0.00 0.00 60.65 59.88 3fww s ILE 372 Cb -0.20 -2.15 0.00 0.00 0.01 0.00 0.00 42.46 40.11 3fww s ILE 372 CO -0.02 0.56 0.00 0.61 0.00 0.00 0.00 174.94 176.09 3fww n GLY 373 N 2.93 0.03 3.84 6.18 0.00 0.13 -1.14 105.19 117.16 3fww n GLY 373 Ca -0.18 -1.70 -0.36 0.00 0.00 0.00 0.00 46.02 43.78 3fww n GLY 373 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fww s ALA 374 N -3.59 3.63 -0.93 4.61 0.00 -1.26 -2.50 121.76 121.72 3fww s ALA 374 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 51.96 51.78 3fww s ALA 374 Cb 0.00 -2.46 0.00 0.00 0.00 0.00 0.00 23.12 20.66 3fww s ALA 374 CO 0.00 0.48 0.00 0.41 0.00 0.00 0.00 175.76 176.65 3fww n GLY 375 N 1.11 0.65 3.80 0.00 0.00 -0.42 -1.20 105.19 109.13 3fww n GLY 375 Ca -0.08 -0.55 -0.39 0.00 0.00 0.00 0.00 46.02 45.00 3fww n GLY 375 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fww s VAL 376 N -2.41 4.85 -0.34 1.61 1.01 -1.26 -3.67 120.40 120.19 3fww s VAL 376 Ca 0.00 1.16 -0.08 0.00 0.00 0.00 0.00 61.98 63.06 3fww s VAL 376 Cb 0.00 -3.88 0.03 0.00 0.00 0.00 0.00 36.38 32.54 3fww s VAL 376 CO 0.00 0.51 0.13 0.21 0.00 0.00 0.00 175.10 175.95 3fww s ASN 377 N -0.77 5.40 -0.50 3.32 3.84 -0.44 -1.31 114.94 124.48 3fww s ASN 377 Ca 0.29 -1.06 -0.19 0.00 0.21 0.00 0.00 52.86 52.11 3fww s ASN 377 Cb -0.19 -1.91 0.06 0.00 -0.55 0.00 0.00 41.25 38.66 3fww s ASN 377 CO 0.17 -0.33 0.61 -0.63 -2.79 0.00 0.00 177.10 174.14 3fww s ILE 378 N 1.45 4.90 0.92 -5.21 -1.09 -0.13 -0.98 121.20 121.06 3fww s ILE 378 Ca -0.00 -0.50 -0.10 0.00 -2.23 0.00 0.00 60.65 57.82 3fww s ILE 378 Cb -0.19 -4.28 0.15 0.00 -1.58 0.00 0.00 42.46 36.56 3fww s ILE 378 CO 0.04 -0.78 1.15 -0.83 -1.23 0.00 0.00 174.94 173.29 3fww s GLY 379 N 2.64 1.70 0.16 6.18 0.00 0.12 -4.00 107.32 114.13 3fww s GLY 379 Ca 0.15 0.61 -0.34 0.00 0.00 0.00 0.00 44.72 45.14 3fww s GLY 379 CO 0.12 1.03 1.44 0.00 0.00 0.00 0.00 173.10 175.69 3fww n ALA 380 N -4.24 0.57 -0.76 3.20 0.00 -1.26 -2.91 120.51 115.12 3fww n ALA 380 Ca 0.12 0.46 0.00 0.00 0.00 0.00 0.00 53.44 54.02 3fww n ALA 380 Cb 0.52 -2.24 0.00 0.00 0.00 0.00 0.00 19.45 17.73 3fww n ALA 380 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fww n GLY 381 N 2.77 0.57 3.74 0.00 0.00 -0.94 0.08 105.19 111.40 3fww n GLY 381 Ca 0.16 -0.52 -0.41 0.00 0.00 0.00 0.00 46.02 45.25 3fww n GLY 381 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3fww s THR 382 N -2.00 4.37 -0.06 2.61 2.01 -1.15 -3.34 115.64 118.08 3fww s THR 382 Ca 0.00 2.02 0.02 0.00 0.31 0.00 0.00 61.69 64.03 3fww s THR 382 Cb 0.00 -4.30 0.02 0.00 0.01 0.00 0.00 72.50 68.23 3fww s THR 382 CO 0.00 0.39 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.59 3fww s ILE 383 N -0.47 1.02 -0.50 1.82 -1.09 -0.63 -1.71 121.20 119.64 3fww s ILE 383 Ca 0.44 -0.40 -0.28 0.00 -2.23 0.00 0.00 60.65 58.17 3fww s ILE 383 Cb -0.24 -0.95 0.03 0.00 -1.58 0.00 0.00 42.46 39.72 3fww s ILE 383 CO 0.30 0.33 1.10 0.42 -1.23 0.00 0.00 174.94 175.86 3fww s THR 384 N 0.77 4.22 -0.93 2.92 -4.23 -0.60 -0.92 115.64 116.87 3fww s THR 384 Ca -0.13 1.03 -0.19 0.00 -1.18 0.00 0.00 61.69 61.22 3fww s THR 384 Cb -0.15 -4.60 0.12 0.00 1.34 0.00 0.00 72.50 69.21 3fww s THR 384 CO 0.02 -1.06 1.14 0.00 -0.54 0.00 0.00 174.62 174.19 3fww n ASN 386 N 6.71 1.94 -3.81 0.00 6.94 -1.26 -2.39 115.26 123.39 3fww n ASN 386 Ca 0.24 -3.08 -0.17 0.00 -0.02 0.00 0.00 54.58 51.55 3fww n ASN 386 Cb 0.49 -0.42 -0.16 0.00 -2.36 0.00 0.00 39.78 37.33 3fww n ASN 386 CO 0.00 0.00 0.00 -0.47 -1.03 0.00 0.00 177.26 175.76 3fww s TYR 387 N -2.54 0.31 0.02 -2.53 5.04 -1.26 -3.11 117.35 113.28 3fww s TYR 387 Ca 0.30 0.00 0.00 0.00 -2.44 0.00 0.00 57.07 54.93 3fww s TYR 387 Cb 0.27 -0.42 0.00 0.00 0.35 0.00 0.00 41.96 42.16 3fww s TYR 387 CO 0.00 -0.14 0.00 -0.40 -1.34 0.00 0.00 175.55 173.68 3fww n ASP 388 N 4.20 0.06 0.27 4.32 5.75 -1.26 -5.11 116.55 124.78 3fww n ASP 388 Ca -0.25 0.04 0.00 0.00 -0.01 0.00 0.00 54.79 54.57 3fww n ASP 388 Cb 0.50 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.60 3fww n ASP 388 CO 0.00 0.00 0.00 -0.46 -0.11 0.00 0.00 177.20 176.63 3fww n ASN 391 N -2.85 0.00 -4.18 -1.12 2.04 -1.26 -5.25 115.26 102.64 3fww n ASN 391 Ca 0.00 0.00 -0.17 0.00 -0.44 0.00 0.00 54.58 53.97 3fww n ASN 391 Cb 0.23 0.00 -0.12 0.00 -2.53 0.00 0.00 39.78 37.36 3fww n ASN 391 CO 0.00 0.00 0.00 -0.54 -0.44 0.00 0.00 177.26 176.28 3fww s LYS 392 N 0.00 0.85 0.24 -3.83 1.02 -1.26 -5.13 119.74 111.62 3fww s LYS 392 Ca 0.00 -1.03 0.11 0.00 0.02 0.00 0.00 55.97 55.07 3fww s LYS 392 Cb 0.00 -0.77 -0.05 0.00 -0.52 0.00 0.00 37.83 36.50 3fww s LYS 392 CO 0.00 0.16 -0.15 -0.06 -0.92 0.00 0.00 175.35 174.38 3fww s PHE 393 N -1.62 2.45 -0.09 3.18 0.40 -1.18 -5.08 117.98 116.03 3fww s PHE 393 Ca 0.01 -0.29 -0.18 0.00 -0.60 0.00 0.00 56.93 55.87 3fww s PHE 393 Cb -0.08 -1.13 -0.05 0.00 0.51 0.00 0.00 43.02 42.27 3fww s PHE 393 CO 0.02 0.60 0.46 0.21 0.70 0.00 0.00 175.22 177.22 3fww s LYS 394 N -3.20 4.27 -0.12 0.44 2.47 -1.26 -4.81 119.74 117.51 3fww s LYS 394 Ca 0.27 0.45 -0.03 0.00 -1.56 0.00 0.00 55.97 55.09 3fww s LYS 394 Cb -0.07 -3.39 -0.03 0.00 -1.46 0.00 0.00 37.83 32.88 3fww s LYS 394 CO 0.15 0.27 -0.00 0.99 0.16 0.00 0.00 175.35 176.92 3fww s THR 395 N 0.26 4.25 -0.05 3.43 2.01 -0.60 -3.31 115.64 121.63 3fww s THR 395 Ca 0.25 -0.25 0.02 0.00 0.31 0.00 0.00 61.69 62.03 3fww s THR 395 Cb -0.15 -2.83 0.01 0.00 0.01 0.00 0.00 72.50 69.53 3fww s THR 395 CO 0.11 0.54 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.84 3fww s ILE 396 N -0.26 1.01 -0.06 1.82 1.01 -0.87 -0.25 121.20 123.59 3fww s ILE 396 Ca 0.06 -0.43 0.00 0.00 0.00 0.00 0.00 60.65 60.28 3fww s ILE 396 Cb -0.12 -0.93 0.02 0.00 0.01 0.00 0.00 42.46 41.44 3fww s ILE 396 CO 0.02 0.32 -0.05 -0.63 0.00 0.00 0.00 174.94 174.61 3fww s ILE 397 N 0.56 0.64 0.00 2.92 1.01 0.33 -0.79 121.20 125.86 3fww s ILE 397 Ca -0.11 -0.13 0.00 0.00 0.00 0.00 0.00 60.65 60.41 3fww s ILE 397 Cb -0.14 -0.68 0.00 0.00 0.01 0.00 0.00 42.46 41.65 3fww s ILE 397 CO 0.03 0.27 0.00 0.61 0.00 0.00 0.00 174.94 175.84 3fww n GLY 398 N 4.42 -1.12 3.80 6.18 0.00 -0.44 0.19 105.19 118.21 3fww n GLY 398 Ca -0.18 -1.62 -0.32 0.00 0.00 0.00 0.00 46.02 43.89 3fww n GLY 398 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3fww s ASP 399 N -1.07 5.51 -2.13 1.61 1.01 -1.26 -3.79 116.67 116.56 3fww s ASP 399 Ca 0.00 1.82 0.00 0.00 0.71 0.00 0.00 52.55 55.08 3fww s ASP 399 Cb 0.00 -2.53 0.00 0.00 1.01 0.00 0.00 42.92 41.40 3fww s ASP 399 CO 0.00 -1.35 0.00 0.47 0.21 0.00 0.00 175.17 174.50 3fww n ASP 400 N -2.38 -5.54 -4.76 0.27 8.00 -0.34 -1.33 116.55 110.47 3fww n ASP 400 Ca 0.09 0.43 -0.40 0.00 0.71 0.00 0.00 54.79 55.62 3fww n ASP 400 Cb 0.53 -4.81 -0.06 0.00 -0.02 0.00 0.00 41.12 36.76 3fww n ASP 400 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3fww s VAL 401 N -2.80 4.24 -0.23 2.53 1.01 -1.26 -3.86 120.40 120.02 3fww s VAL 401 Ca 0.00 1.92 -0.04 0.00 0.00 0.00 0.00 61.98 63.86 3fww s VAL 401 Cb 0.00 -4.25 -0.00 0.00 0.00 0.00 0.00 36.38 32.13 3fww s VAL 401 CO 0.00 0.49 -0.03 0.12 0.00 0.00 0.00 175.10 175.68 3fww s PHE 402 N -1.04 2.99 -0.36 5.22 5.36 -0.33 -1.33 117.98 128.49 3fww s PHE 402 Ca 0.39 -0.96 -0.09 0.00 -0.96 0.00 0.00 56.93 55.31 3fww s PHE 402 Cb -0.24 -2.12 0.04 0.00 -0.34 0.00 0.00 43.02 40.35 3fww s PHE 402 CO 0.29 -0.55 0.17 0.08 -1.46 0.00 0.00 175.22 173.74 3fww s VAL 403 N 1.48 4.15 1.10 3.12 1.01 -0.15 0.29 120.40 131.39 3fww s VAL 403 Ca 0.05 -1.07 -0.13 0.00 0.00 0.00 0.00 61.98 60.82 3fww s VAL 403 Cb -0.15 -3.37 0.21 0.00 0.00 0.00 0.00 36.38 33.08 3fww s VAL 403 CO -0.02 -0.25 0.84 0.61 0.00 0.00 0.00 175.10 176.27 3fww n GLY 404 N 4.90 -1.76 3.78 4.51 0.00 0.11 0.14 105.19 116.87 3fww n GLY 404 Ca -0.12 -0.99 -0.35 0.00 0.00 0.00 0.00 46.02 44.56 3fww n GLY 404 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3fww s SER 405 N -2.33 5.89 -1.34 1.61 0.01 -1.26 -3.77 113.70 112.51 3fww s SER 405 Ca 0.65 2.18 -0.06 0.00 1.31 0.00 0.00 55.95 60.04 3fww s SER 405 Cb -0.23 -2.58 0.02 0.00 0.21 0.00 0.00 66.02 63.44 3fww s SER 405 CO 0.64 -1.10 1.04 -0.67 0.41 0.00 0.00 173.24 173.56 3fww n ASP 406 N -1.06 -4.31 -4.82 2.44 2.03 0.11 -0.82 116.55 110.12 3fww n ASP 406 Ca 0.10 -0.64 -0.37 0.00 0.52 0.00 0.00 54.79 54.40 3fww n ASP 406 Cb 0.50 -4.74 -0.06 0.00 -0.72 0.00 0.00 41.12 36.10 3fww n ASP 406 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 3fww s THR 407 N -3.37 5.23 -0.24 5.18 2.01 -1.25 -2.98 115.64 120.22 3fww s THR 407 Ca 0.37 0.60 -0.07 0.00 0.31 0.00 0.00 61.69 62.91 3fww s THR 407 Cb -0.17 -3.61 -0.02 0.00 0.01 0.00 0.00 72.50 68.70 3fww s THR 407 CO 0.76 0.54 0.05 0.00 -0.69 0.00 0.00 174.62 175.28 3fww s GLN 408 N -0.67 3.61 -0.40 4.92 0.00 -0.24 -1.60 119.66 125.28 3fww s GLN 408 Ca 0.20 -0.50 -0.18 0.00 -0.00 0.00 0.00 55.36 54.87 3fww s GLN 408 Cb -0.14 -3.26 0.01 0.00 0.00 0.00 0.00 33.01 29.62 3fww s GLN 408 CO 0.09 -0.18 0.51 -0.51 0.00 0.00 0.00 175.29 175.19 3fww s LEU 409 N 1.56 4.57 -0.48 2.60 1.43 -0.10 -0.24 118.68 128.03 3fww s LEU 409 Ca 0.06 -0.35 -0.17 0.00 -1.03 0.00 0.00 54.13 52.64 3fww s LEU 409 Cb -0.15 -2.53 0.06 0.00 0.03 0.00 0.00 46.19 43.60 3fww s LEU 409 CO 0.02 -0.58 0.47 -0.69 0.23 0.00 0.00 176.35 175.81 3fww s VAL 410 N 2.38 5.11 0.54 -1.59 1.01 0.12 0.54 120.40 128.51 3fww s VAL 410 Ca 0.17 -0.83 -0.15 0.00 0.00 0.00 0.00 61.98 61.17 3fww s VAL 410 Cb -0.16 -4.17 -0.07 0.00 0.00 0.00 0.00 36.38 31.98 3fww s VAL 410 CO 0.15 -0.64 0.99 0.00 0.00 0.00 0.00 175.10 175.60 3fww s ALA 411 N 1.99 3.09 0.09 5.51 0.00 -1.00 -4.05 121.76 127.38 3fww s ALA 411 Ca 0.08 0.09 -0.31 0.00 0.00 0.00 0.00 51.96 51.82 3fww s ALA 411 Cb -0.22 -3.09 -0.06 0.00 0.00 0.00 0.00 23.12 19.74 3fww s ALA 411 CO 0.09 -0.36 1.25 -1.25 0.00 0.00 0.00 175.76 175.49 3fww s PRO 412 N -4.39 4.40 -0.04 0.00 0.04 -1.26 -4.89 135.00 128.86 3fww s PRO 412 Ca 0.57 1.87 -0.18 0.00 0.04 0.00 0.00 61.00 63.30 3fww s PRO 412 Cb -0.10 -3.31 0.04 0.00 0.04 0.00 0.00 34.50 31.16 3fww s PRO 412 CO 0.38 -0.30 0.40 0.54 0.04 0.00 0.00 177.00 178.06 3fww s VAL 413 N 0.99 0.04 -0.07 -0.36 0.11 -1.21 -4.90 120.40 115.00 3fww s VAL 413 Ca 0.60 -0.31 0.02 0.00 -2.93 0.00 0.00 61.98 59.36 3fww s VAL 413 Cb -0.32 -0.69 0.02 0.00 -1.53 0.00 0.00 36.38 33.86 3fww s VAL 413 CO 0.30 -0.17 -0.11 -0.89 -3.33 0.00 0.00 175.10 170.90 3fww s THR 414 N -1.05 1.09 -0.32 5.04 2.01 -1.26 -2.06 115.64 119.09 3fww s THR 414 Ca -0.11 -0.44 -0.02 0.00 0.31 0.00 0.00 61.69 61.44 3fww s THR 414 Cb -0.04 -1.01 0.06 0.00 0.01 0.00 0.00 72.50 71.52 3fww s THR 414 CO 0.05 0.35 0.04 -0.69 -0.69 0.00 0.00 174.62 173.67 3fww s VAL 415 N 0.81 3.04 1.15 3.82 1.01 0.03 0.31 120.40 130.56 3fww s VAL 415 Ca -0.12 -1.51 -0.16 0.00 0.00 0.00 0.00 61.98 60.19 3fww s VAL 415 Cb -0.15 -2.82 0.26 0.00 0.00 0.00 0.00 36.38 33.67 3fww s VAL 415 CO 0.02 -0.22 1.07 0.00 0.00 0.00 0.00 175.10 175.98 3fww s ALA 416 N 1.23 0.43 0.63 5.51 0.00 0.34 -1.33 121.76 128.57 3fww s ALA 416 Ca -0.02 -0.61 -0.18 0.00 0.00 0.00 0.00 51.96 51.14 3fww s ALA 416 Cb -0.20 -3.02 -0.03 0.00 0.00 0.00 0.00 23.12 19.86 3fww s ALA 416 CO -0.02 -3.45 1.07 0.09 0.00 0.00 0.00 175.76 173.44 3fww n ASN 417 N -4.65 1.13 0.00 0.00 4.13 -1.26 -2.90 115.26 111.70 3fww n ASN 417 Ca 0.08 0.79 0.00 0.00 1.68 0.00 0.00 54.58 57.14 3fww n ASN 417 Cb 0.58 -1.44 0.00 0.00 -1.54 0.00 0.00 39.78 37.38 3fww n ASN 417 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3fww n GLY 418 N 1.16 0.19 3.78 7.41 0.00 -0.45 -0.67 105.19 116.62 3fww n GLY 418 Ca 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 3fww n GLY 418 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fww s ALA 419 N -1.55 2.47 -0.01 4.61 0.00 -1.14 -3.53 121.76 122.61 3fww s ALA 419 Ca 0.00 0.39 0.04 0.00 0.00 0.00 0.00 51.96 52.39 3fww s ALA 419 Cb 0.00 -3.28 -0.01 0.00 0.00 0.00 0.00 23.12 19.83 3fww s ALA 419 CO 0.00 -1.35 -0.14 0.99 0.00 0.00 0.00 175.76 175.27 3fww s THR 420 N -2.60 1.08 -0.16 0.00 2.01 -0.67 -1.18 115.64 114.11 3fww s THR 420 Ca 0.64 -0.61 0.00 0.00 0.31 0.00 0.00 61.69 62.03 3fww s THR 420 Cb -0.18 -0.90 0.03 0.00 0.01 0.00 0.00 72.50 71.45 3fww s THR 420 CO 0.47 0.28 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.92 3fww s ILE 421 N -0.36 1.52 0.86 1.82 1.01 0.14 -1.83 121.20 124.37 3fww s ILE 421 Ca 0.05 -0.68 -0.11 0.00 0.00 0.00 0.00 60.65 59.91 3fww s ILE 421 Cb -0.05 -1.48 0.12 0.00 0.01 0.00 0.00 42.46 41.05 3fww s ILE 421 CO -0.00 0.38 1.15 -0.83 0.00 0.00 0.00 174.94 175.64 3fww s GLY 422 N 1.49 1.81 0.61 6.18 0.00 0.21 0.05 107.32 117.68 3fww s GLY 422 Ca 0.04 0.61 -0.18 0.00 0.00 0.00 0.00 44.72 45.19 3fww s GLY 422 CO -0.10 1.02 1.22 0.00 0.00 0.00 0.00 173.10 175.24 3fww s ALA 423 N -2.55 2.49 -1.55 3.20 0.00 -1.26 -3.32 121.76 118.77 3fww s ALA 423 Ca 0.68 1.01 0.00 0.00 0.00 0.00 0.00 51.96 53.65 3fww s ALA 423 Cb -0.23 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.42 3fww s ALA 423 CO 0.55 -1.27 0.00 0.41 0.00 0.00 0.00 175.76 175.45 3fww n GLY 424 N 0.52 0.07 3.80 0.00 0.00 0.00 -4.77 105.19 104.82 3fww n GLY 424 Ca 0.14 -0.17 -0.37 0.00 0.00 0.00 0.00 46.02 45.62 3fww n GLY 424 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3fww s THR 425 N -2.82 5.19 -0.14 2.61 2.01 -1.21 -4.82 115.64 116.46 3fww s THR 425 Ca 0.00 0.68 -0.16 0.00 0.31 0.00 0.00 61.69 62.51 3fww s THR 425 Cb 0.00 -3.65 -0.04 0.00 0.01 0.00 0.00 72.50 68.81 3fww s THR 425 CO 0.00 0.51 0.40 -0.89 -0.69 0.00 0.00 174.62 173.95 3fww s THR 426 N -0.51 5.23 -0.27 -0.82 2.01 -1.26 -1.08 115.64 118.94 3fww s THR 426 Ca 0.21 0.78 0.00 0.00 0.31 0.00 0.00 61.69 62.99 3fww s THR 426 Cb -0.15 -3.74 0.05 0.00 0.01 0.00 0.00 72.50 68.67 3fww s THR 426 CO 0.09 0.34 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.60 3fww s VAL 427 N 0.65 2.57 -0.12 3.82 1.01 0.67 -4.90 120.40 124.10 3fww s VAL 427 Ca 0.22 -1.40 0.09 0.00 0.00 0.00 0.00 61.98 60.89 3fww s VAL 427 Cb -0.14 -2.43 -0.14 0.00 0.00 0.00 0.00 36.38 33.67 3fww s VAL 427 CO 0.08 0.02 0.02 0.35 0.00 0.00 0.00 175.10 175.57 3fww n THR 428 N 4.55 0.79 -4.08 3.92 -2.24 -1.26 0.14 114.28 116.10 3fww n THR 428 Ca -0.15 -0.47 -0.24 0.00 -2.27 0.00 0.00 64.05 60.93 3fww n THR 428 Cb 0.44 -0.73 -0.05 0.00 -2.10 0.00 0.00 70.33 67.89 3fww n THR 428 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3fww s ARG 429 N -2.28 2.98 0.74 -0.78 1.81 -1.26 -4.79 118.95 115.37 3fww s ARG 429 Ca -0.07 -0.92 -0.15 0.00 -1.72 0.00 0.00 55.73 52.87 3fww s ARG 429 Cb 0.04 -2.65 0.05 0.00 -0.45 0.00 0.00 34.95 31.93 3fww s ARG 429 CO 0.45 0.45 1.24 -0.51 -0.68 0.00 0.00 175.30 176.26 3fww s ASP 430 N -3.46 3.99 -0.04 0.23 1.11 -1.26 -4.72 116.67 112.52 3fww s ASP 430 Ca 0.32 2.47 0.07 0.00 0.18 0.00 0.00 52.55 55.59 3fww s ASP 430 Cb -0.09 -2.60 -0.01 0.00 1.07 0.00 0.00 42.92 41.28 3fww s ASP 430 CO 0.25 -2.41 -0.24 -0.69 1.18 0.00 0.00 175.17 173.26 3fww s VAL 431 N -1.84 1.93 0.35 -1.27 1.01 0.15 -4.96 120.40 115.77 3fww s VAL 431 Ca 0.77 -1.02 -0.03 0.00 0.00 0.00 0.00 61.98 61.71 3fww s VAL 431 Cb -0.32 -1.62 -0.04 0.00 0.00 0.00 0.00 36.38 34.40 3fww s VAL 431 CO 0.46 0.54 0.60 0.00 0.00 0.00 0.00 175.10 176.70 3fww s ALA 432 N -0.32 3.61 -0.01 5.51 0.00 -1.26 -0.51 121.76 128.78 3fww s ALA 432 Ca 0.02 -0.70 -0.39 0.00 0.00 0.00 0.00 51.96 50.89 3fww s ALA 432 Cb -0.12 -2.27 -0.19 0.00 0.00 0.00 0.00 23.12 20.54 3fww s ALA 432 CO 0.02 0.01 1.23 0.39 0.00 0.00 0.00 175.76 177.41 3fww n GLU 433 N -1.56 0.47 -1.17 0.00 1.02 -1.26 -1.27 120.64 116.88 3fww n GLU 433 Ca -0.03 0.17 -0.08 0.00 -0.02 0.00 0.00 57.16 57.20 3fww n GLU 433 Cb 0.55 -1.73 -0.03 0.00 -0.02 0.00 0.00 31.44 30.20 3fww n GLU 433 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3fww n ASN 434 N 2.21 -5.05 -4.76 1.62 3.02 0.16 -4.83 115.26 107.62 3fww n ASN 434 Ca 0.20 0.20 -0.40 0.00 -0.03 0.00 0.00 54.58 54.56 3fww n ASN 434 Cb 0.11 -3.65 -0.05 0.00 -0.61 0.00 0.00 39.78 35.58 3fww n ASN 434 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 3fww s GLU 435 N -2.55 4.52 0.09 3.52 2.12 -0.40 -4.82 118.70 121.19 3fww s GLU 435 Ca 0.00 1.10 -0.12 0.00 0.36 0.00 0.00 54.97 56.31 3fww s GLU 435 Cb 0.00 -3.33 -0.06 0.00 0.26 0.00 0.00 34.13 31.00 3fww s GLU 435 CO 0.00 0.39 0.45 -1.17 -0.54 0.00 0.00 175.26 174.38 3fww s LEU 436 N -0.44 4.37 -0.06 2.70 2.96 -1.26 -1.67 118.68 125.28 3fww s LEU 436 Ca 0.38 0.91 -0.00 0.00 -0.22 0.00 0.00 54.13 55.19 3fww s LEU 436 Cb -0.21 -3.01 0.03 0.00 0.50 0.00 0.00 46.19 43.49 3fww s LEU 436 CO 0.24 0.17 -0.01 -0.69 -1.32 0.00 0.00 176.35 174.75 3fww s VAL 437 N -1.37 0.38 -0.18 1.68 1.01 -0.76 -4.97 120.40 116.18 3fww s VAL 437 Ca 0.33 0.06 -0.01 0.00 0.00 0.00 0.00 61.98 62.36 3fww s VAL 437 Cb -0.15 -0.49 0.05 0.00 0.00 0.00 0.00 36.38 35.79 3fww s VAL 437 CO 0.18 0.23 -0.03 -0.63 0.00 0.00 0.00 175.10 174.85 3fww s ILE 438 N 1.55 0.98 -0.57 2.22 1.09 -1.26 -0.62 121.20 124.59 3fww s ILE 438 Ca -0.02 -0.66 -0.05 0.00 -1.10 0.00 0.00 60.65 58.82 3fww s ILE 438 Cb -0.13 -1.26 -0.05 0.00 -1.06 0.00 0.00 42.46 39.96 3fww s ILE 438 CO -0.03 0.01 1.71 -0.24 -0.10 0.00 0.00 174.94 176.28 3fww n SER 439 N 4.90 3.01 -4.61 3.58 2.88 -1.26 -4.90 113.62 117.23 3fww n SER 439 Ca -0.11 -2.24 -0.39 0.00 -1.33 0.00 0.00 58.87 54.80 3fww n SER 439 Cb 0.47 -0.88 -0.09 0.00 -0.75 0.00 0.00 64.21 62.96 3fww n SER 439 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 3fww s ARG 440 N 4.15 4.01 0.00 -1.46 6.06 -1.26 -4.86 118.95 125.59 3fww s ARG 440 Ca 0.28 0.08 0.00 0.00 -2.50 0.00 0.00 55.73 53.59 3fww s ARG 440 Cb 0.07 -3.66 0.00 0.00 0.06 0.00 0.00 34.95 31.42 3fww s ARG 440 CO -0.00 -0.30 0.00 0.28 -2.50 0.00 0.00 175.30 172.78 3fww n VAL 441 N 5.13 0.00 -3.82 7.11 0.31 -1.26 -5.12 118.33 120.67 3fww n VAL 441 Ca -0.08 0.00 -0.27 0.00 -0.01 0.00 0.00 64.34 63.98 3fww n VAL 441 Cb 0.51 -0.95 -0.17 0.00 -0.91 0.00 0.00 33.84 32.32 3fww n VAL 441 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 3fww s LYS 442 N 2.95 1.06 0.22 5.55 1.02 -1.26 -5.12 119.74 124.16 3fww s LYS 442 Ca 0.00 -0.43 -0.31 0.00 0.02 0.00 0.00 55.97 55.24 3fww s LYS 442 Cb 0.00 -1.95 -0.11 0.00 -0.52 0.00 0.00 37.83 35.25 3fww s LYS 442 CO 0.00 -0.50 1.61 1.14 -0.92 0.00 0.00 175.35 176.68 3fww s GLN 443 N 1.74 4.17 -0.07 1.68 -2.07 -1.26 -5.00 119.66 118.85 3fww s GLN 443 Ca 0.00 2.49 0.03 0.00 -1.82 0.00 0.00 55.36 56.07 3fww s GLN 443 Cb -0.16 -3.09 -0.02 0.00 -1.09 0.00 0.00 33.01 28.65 3fww s GLN 443 CO -0.07 -0.64 -0.16 0.08 -1.32 0.00 0.00 175.29 173.17 3fww s VAL 444 N 0.74 2.83 -0.18 3.63 1.01 -1.26 -5.11 120.40 122.06 3fww s VAL 444 Ca 0.69 -0.79 -0.01 0.00 0.00 0.00 0.00 61.98 61.87 3fww s VAL 444 Cb -0.47 -2.11 0.00 0.00 0.00 0.00 0.00 36.38 33.81 3fww s VAL 444 CO 0.37 0.57 -0.14 -1.00 0.00 0.00 0.00 175.10 174.90 3fww s HIS 445 N -0.37 2.83 -0.16 5.22 0.09 -1.26 -5.10 115.29 116.55 3fww s HIS 445 Ca 0.03 -1.23 -0.03 0.00 -0.00 0.00 0.00 55.06 53.83 3fww s HIS 445 Cb -0.12 -1.96 -0.02 0.00 -0.00 0.00 0.00 32.58 30.47 3fww s HIS 445 CO 0.02 -0.62 -0.06 0.42 -0.00 0.00 0.00 174.74 174.51 3fww s ILE 446 N 1.17 3.63 0.16 0.60 1.01 -1.26 -5.11 121.20 121.41 3fww s ILE 446 Ca 0.02 -0.45 -0.17 0.00 0.00 0.00 0.00 60.65 60.05 3fww s ILE 446 Cb -0.14 -2.59 -0.07 0.00 0.01 0.00 0.00 42.46 39.67 3fww s ILE 446 CO -0.06 0.49 0.61 -1.10 0.00 0.00 0.00 174.94 174.88 3fww s GLN 447 N 0.52 4.09 -0.84 2.79 -1.52 -1.26 -4.33 119.66 119.12 3fww s GLN 447 Ca -0.04 0.64 -0.03 0.00 -1.95 0.00 0.00 55.36 53.98 3fww s GLN 447 Cb -0.15 -2.94 0.00 0.00 -0.22 0.00 0.00 33.01 29.70 3fww s GLN 447 CO 0.03 0.47 0.64 0.41 -0.25 0.00 0.00 175.29 176.59 3fww n GLY 448 N 0.87 -1.26 3.72 3.09 0.00 -1.26 -4.92 105.19 105.42 3fww n GLY 448 Ca -0.05 0.55 -0.37 0.00 0.00 0.00 0.00 46.02 46.15 3fww n GLY 448 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3fww s TRP 449 N -3.04 3.45 -0.59 1.61 -0.00 -1.26 -5.04 118.94 114.07 3fww s TRP 449 Ca 0.05 0.66 -0.25 0.00 -0.00 0.00 0.00 56.10 56.56 3fww s TRP 449 Cb -0.02 -2.42 0.04 0.00 -0.00 0.00 0.00 33.47 31.07 3fww s TRP 449 CO 0.86 0.18 1.02 -1.59 -0.00 0.00 0.00 176.95 177.42 3fww s LYS 450 N 0.66 3.31 -0.01 5.86 -2.85 -1.26 -5.01 119.74 120.43 3fww s LYS 450 Ca 0.19 -0.28 -0.30 0.00 -1.00 0.00 0.00 55.97 54.58 3fww s LYS 450 Cb -0.14 -4.09 -0.06 0.00 -2.06 0.00 0.00 37.83 31.49 3fww s LYS 450 CO 0.06 -1.64 1.50 1.03 0.10 0.00 0.00 175.35 176.40 3fww s ARG 451 N 4.32 4.24 0.00 1.78 1.81 -1.26 -5.29 118.95 124.54 3fww s ARG 451 Ca 0.31 2.07 0.00 0.00 -1.72 0.00 0.00 55.73 56.39 3fww s ARG 451 Cb -0.12 -3.69 0.00 0.00 -0.45 0.00 0.00 34.95 30.69 3fww s ARG 451 CO 0.18 -0.68 0.00 -2.30 -0.68 0.00 0.00 175.30 171.82