#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xcj h LEU 8 N 0.00 1.00 -8.34 1.53 4.07 -1.99 -3.43 115.31 108.15 1xcj h LEU 8 Ca 0.00 -0.35 -0.61 0.00 0.08 0.00 0.00 57.88 57.00 1xcj h LEU 8 Cb 0.00 -0.27 -0.31 0.00 1.08 0.00 0.00 40.66 41.16 1xcj h LEU 8 CO 0.00 1.12 -0.85 -0.36 -1.08 0.00 0.00 178.44 177.26 1xcj s PHE 9 N -4.84 1.94 0.47 1.13 0.08 -1.26 -4.95 117.98 110.55 1xcj s PHE 9 Ca -0.12 -0.52 -0.14 0.00 0.12 0.00 0.00 56.93 56.27 1xcj s PHE 9 Cb 0.12 -1.28 -0.07 0.00 -0.57 0.00 0.00 43.02 41.22 1xcj s PHE 9 CO 0.86 -0.15 0.89 0.00 -0.10 0.00 0.00 175.22 176.72 1xcj s ALA 10 N -0.14 3.19 -0.01 5.36 0.00 -1.26 -4.96 121.76 123.94 1xcj s ALA 10 Ca -0.01 0.01 -0.36 0.00 0.00 0.00 0.00 51.96 51.60 1xcj s ALA 10 Cb -0.11 -2.93 -0.14 0.00 0.00 0.00 0.00 23.12 19.93 1xcj s ALA 10 CO 0.02 -0.14 1.64 -0.35 0.00 0.00 0.00 175.76 176.93 1xcj n PRO 11 N -1.46 1.72 -0.99 0.00 -0.04 -1.26 -1.06 135.00 131.90 1xcj n PRO 11 Ca 0.05 0.62 0.00 0.00 -0.04 0.00 0.00 63.50 64.13 1xcj n PRO 11 Cb 0.54 -2.37 0.00 0.00 -0.04 0.00 0.00 33.50 31.63 1xcj n PRO 11 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1xcj n GLY 12 N 3.63 0.27 3.75 0.55 0.00 -1.26 -4.98 105.19 107.14 1xcj n GLY 12 Ca 0.21 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.85 1xcj n GLY 12 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1xcj s GLU 13 N -0.95 3.15 -0.15 1.61 2.12 -0.23 -4.84 118.70 119.42 1xcj s GLU 13 Ca 0.00 2.17 -0.04 0.00 0.36 0.00 0.00 54.97 57.46 1xcj s GLU 13 Cb 0.00 -2.23 0.06 0.00 0.26 0.00 0.00 34.13 32.21 1xcj s GLU 13 CO 0.00 -1.16 0.11 0.34 -0.54 0.00 0.00 175.26 174.01 1xcj s ASP 14 N -1.04 1.89 0.00 -1.70 -1.08 -1.26 -1.37 116.67 112.12 1xcj s ASP 14 Ca 0.72 -0.38 0.21 0.00 -0.52 0.00 0.00 52.55 52.58 1xcj s ASP 14 Cb -0.39 -0.09 0.45 0.00 -1.46 0.00 0.00 42.92 41.43 1xcj s ASP 14 CO 0.46 -0.32 1.39 0.00 0.52 0.00 0.00 175.17 177.22 1xcj h GLY 16 N 4.09 -0.37 0.01 0.00 0.00 -1.89 -0.62 103.07 104.30 1xcj h GLY 16 Ca 0.00 0.16 0.25 0.00 0.00 0.00 0.00 47.33 47.73 1xcj h GLY 16 CO 0.00 -0.14 0.66 -0.56 0.00 0.00 0.00 176.54 176.50 1xcj h PRO 17 N -0.15 0.36 0.00 4.80 0.13 -1.93 -2.00 132.00 133.22 1xcj h PRO 17 Ca -0.01 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.09 1xcj h PRO 17 Cb 0.12 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 31.16 1xcj h PRO 17 CO 0.01 0.24 -0.61 0.00 -0.23 0.00 0.00 178.00 177.41 1xcj n ALA 18 N -2.51 3.32 0.01 -0.56 0.00 -1.21 -4.49 120.51 115.07 1xcj n ALA 18 Ca 0.23 -0.32 -0.10 0.00 0.00 0.00 0.00 53.44 53.25 1xcj n ALA 18 Cb 0.83 -1.12 -0.03 0.00 0.00 0.00 0.00 19.45 19.13 1xcj n ALA 18 CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.50 179.85 1xcj h TRP 19 N 0.00 -0.46 -0.35 0.00 2.91 -0.31 -1.03 115.95 116.71 1xcj h TRP 19 Ca 0.00 0.02 0.08 0.00 1.13 0.00 0.00 58.89 60.12 1xcj h TRP 19 Cb 0.61 0.22 -0.08 0.00 -0.51 0.00 0.00 29.16 29.40 1xcj h TRP 19 CO 0.00 -0.25 -0.24 -0.09 -1.03 0.00 0.00 178.44 176.83 1xcj h ARG 20 N -0.24 -0.19 -0.00 2.65 2.43 -1.79 -2.19 114.38 115.05 1xcj h ARG 20 Ca 0.09 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 1xcj h ARG 20 Cb 0.37 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.96 1xcj h ARG 20 CO -0.24 -0.12 -0.10 0.00 -1.51 0.00 0.00 179.97 177.99 1xcj n ALA 21 N -2.88 2.76 -2.00 2.80 0.00 -1.19 -0.85 120.51 119.15 1xcj n ALA 21 Ca 0.01 -0.29 -0.42 0.00 0.00 0.00 0.00 53.44 52.74 1xcj n ALA 21 Cb 0.30 -1.31 -0.03 0.00 0.00 0.00 0.00 19.45 18.41 1xcj n ALA 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xcj s ALA 22 N -2.38 3.62 0.27 0.00 0.00 -0.40 -4.96 121.76 117.92 1xcj s ALA 22 Ca 0.31 1.22 -0.30 0.00 0.00 0.00 0.00 51.96 53.19 1xcj s ALA 22 Cb 0.20 -3.54 -0.11 0.00 0.00 0.00 0.00 23.12 19.67 1xcj s ALA 22 CO 0.45 -0.66 1.50 -2.14 0.00 0.00 0.00 175.76 174.91 1xcj s PRO 23 N 0.41 4.21 -0.54 0.00 0.02 -1.26 -4.56 135.00 133.28 1xcj s PRO 23 Ca 0.62 2.41 -0.22 0.00 0.02 0.00 0.00 61.00 63.84 1xcj s PRO 23 Cb -0.39 -3.07 0.05 0.00 0.02 0.00 0.00 34.50 31.11 1xcj s PRO 23 CO 0.36 -0.50 0.80 0.00 -0.33 0.00 0.00 177.00 177.33 1xcj s ALA 24 N -0.05 3.26 -0.69 -1.55 0.00 -1.26 -4.53 121.76 116.94 1xcj s ALA 24 Ca 0.61 -1.54 -0.18 0.00 0.00 0.00 0.00 51.96 50.84 1xcj s ALA 24 Cb -0.44 -3.58 0.13 0.00 0.00 0.00 0.00 23.12 19.23 1xcj s ALA 24 CO 0.46 -2.26 0.80 0.00 0.00 0.00 0.00 175.76 174.76 1xcj s ALA 25 N 3.35 3.50 -0.29 0.00 0.00 -0.48 -4.95 121.76 122.90 1xcj s ALA 25 Ca 0.22 -2.48 -0.15 0.00 0.00 0.00 0.00 51.96 49.55 1xcj s ALA 25 Cb -0.16 -3.64 -0.03 0.00 0.00 0.00 0.00 23.12 19.29 1xcj s ALA 25 CO 0.15 -2.48 0.38 0.71 0.00 0.00 0.00 175.76 174.52 1xcj s TYR 26 N 2.36 3.23 0.94 0.00 2.02 -1.26 -0.52 117.35 124.12 1xcj s TYR 26 Ca 0.17 0.32 -0.11 0.00 -0.37 0.00 0.00 57.07 57.08 1xcj s TYR 26 Cb -0.18 -2.61 0.15 0.00 -0.40 0.00 0.00 41.96 38.92 1xcj s TYR 26 CO 0.01 -0.28 1.09 0.16 -1.57 0.00 0.00 175.55 174.96 1xcj s ASP 27 N 1.66 2.99 0.30 2.29 3.84 -0.56 -4.80 116.67 122.39 1xcj s ASP 27 Ca 0.15 1.70 0.07 0.00 -0.00 0.00 0.00 52.55 54.47 1xcj s ASP 27 Cb -0.16 -2.33 0.80 0.00 -1.38 0.00 0.00 42.92 39.85 1xcj s ASP 27 CO 0.10 -2.98 1.72 0.00 -0.00 0.00 0.00 175.17 174.01 1xcj h THR 28 N -1.78 0.52 0.00 2.11 1.03 -1.97 0.89 112.91 113.70 1xcj h THR 28 Ca -0.49 -0.17 0.00 0.00 -0.01 0.00 0.00 66.41 65.73 1xcj h THR 28 Cb 1.28 -0.03 0.00 0.00 -1.07 0.00 0.00 68.15 68.33 1xcj h THR 28 CO 0.50 0.09 0.00 -1.54 -0.01 0.00 0.00 175.52 174.56 1xcj n SER 29 N -4.96 0.25 -3.48 0.00 3.41 -1.26 -4.86 113.62 102.71 1xcj n SER 29 Ca 0.24 0.54 -0.18 0.00 -0.26 0.00 0.00 58.87 59.21 1xcj n SER 29 Cb 0.69 -0.60 0.08 0.00 -0.26 0.00 0.00 64.21 64.13 1xcj n SER 29 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1xcj n ASP 30 N -1.75 -2.43 -0.00 4.04 2.03 0.31 -4.90 116.55 113.84 1xcj n ASP 30 Ca 0.05 -0.64 0.02 0.00 0.52 0.00 0.00 54.79 54.74 1xcj n ASP 30 Cb 0.30 -4.98 -0.02 0.00 -0.72 0.00 0.00 41.12 35.69 1xcj n ASP 30 CO 0.00 0.00 0.00 1.07 -1.92 0.00 0.00 177.20 176.35 1xcj n THR 31 N -4.25 0.00 -3.93 5.18 5.66 -1.26 -4.85 114.28 110.83 1xcj n THR 31 Ca -0.26 -0.34 -0.10 0.00 -3.05 0.00 0.00 64.05 60.31 1xcj n THR 31 Cb 0.66 0.88 -0.10 0.00 -1.55 0.00 0.00 70.33 70.21 1xcj n THR 31 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 175.07 171.02 1xcj s HIS 32 N -1.57 0.18 -0.08 1.09 3.76 -1.26 -1.48 115.29 115.92 1xcj s HIS 32 Ca 0.01 -0.41 -0.01 0.00 -0.15 0.00 0.00 55.06 54.51 1xcj s HIS 32 Cb 0.03 -0.14 0.03 0.00 1.11 0.00 0.00 32.58 33.61 1xcj s HIS 32 CO 0.17 -0.28 -0.04 -1.17 -0.85 0.00 0.00 174.74 172.57 1xcj s LEU 33 N -1.67 0.92 -0.06 0.89 0.20 -0.27 -1.50 118.68 117.19 1xcj s LEU 33 Ca -0.12 -0.18 0.05 0.00 0.69 0.00 0.00 54.13 54.58 1xcj s LEU 33 Cb -0.06 -0.60 -0.01 0.00 -0.43 0.00 0.00 46.19 45.09 1xcj s LEU 33 CO -0.01 -0.14 -0.22 -1.58 -0.29 0.00 0.00 176.35 174.10 1xcj s GLN 34 N 1.72 2.41 -0.07 1.98 0.74 0.32 -1.56 119.66 125.22 1xcj s GLN 34 Ca 0.03 -0.80 -0.01 0.00 0.05 0.00 0.00 55.36 54.63 1xcj s GLN 34 Cb -0.13 -2.00 0.03 0.00 1.10 0.00 0.00 33.01 32.01 1xcj s GLN 34 CO -0.06 0.29 -0.01 0.42 -0.55 0.00 0.00 175.29 175.38 1xcj s ILE 35 N 0.02 0.45 -1.47 -2.34 1.01 -0.78 -1.38 121.20 116.71 1xcj s ILE 35 Ca -0.07 0.04 -0.10 0.00 0.00 0.00 0.00 60.65 60.52 1xcj s ILE 35 Cb -0.14 -0.57 0.05 0.00 0.01 0.00 0.00 42.46 41.82 1xcj s ILE 35 CO 0.04 0.26 0.85 0.18 0.00 0.00 0.00 174.94 176.27 1xcj n LEU 36 N 4.87 -2.53 0.00 2.97 4.77 -1.26 -1.50 117.00 124.33 1xcj n LEU 36 Ca -0.12 -0.56 0.00 0.00 -0.03 0.00 0.00 56.01 55.30 1xcj n LEU 36 Cb 0.50 -2.64 0.00 0.00 -2.33 0.00 0.00 43.42 38.95 1xcj n LEU 36 CO 0.14 0.39 0.00 0.61 -1.33 0.00 0.00 177.39 177.20 1xcj n GLY 37 N -1.62 0.75 3.87 -0.72 0.00 -1.26 -5.03 105.19 101.19 1xcj n GLY 37 Ca -0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1xcj n GLY 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xcj s LYS 38 N -0.05 3.31 -0.80 1.61 -0.14 -0.56 -5.04 119.74 118.07 1xcj s LYS 38 Ca 0.00 -0.39 -0.20 0.00 -1.36 0.00 0.00 55.97 54.03 1xcj s LYS 38 Cb 0.00 -3.01 0.12 0.00 -1.68 0.00 0.00 37.83 33.25 1xcj s LYS 38 CO 0.00 0.66 1.00 -1.25 -0.76 0.00 0.00 175.35 175.00 1xcj s PRO 39 N -1.94 3.39 0.01 -1.68 0.04 -1.26 -1.87 135.00 131.69 1xcj s PRO 39 Ca 0.27 -1.48 -0.19 0.00 0.04 0.00 0.00 61.00 59.63 1xcj s PRO 39 Cb -0.12 -4.61 -0.22 0.00 0.04 0.00 0.00 34.50 29.59 1xcj s PRO 39 CO 0.18 -1.73 1.14 0.28 0.04 0.00 0.00 177.00 176.91 1xcj h VAL 40 N 5.83 1.41 -3.25 -0.36 2.07 -1.63 -3.47 116.25 116.85 1xcj h VAL 40 Ca -0.03 -1.99 -0.15 0.00 0.82 0.00 0.00 66.70 65.35 1xcj h VAL 40 Cb 1.05 2.48 -0.22 0.00 -1.52 0.00 0.00 31.29 33.08 1xcj h VAL 40 CO 1.11 0.58 -0.41 -0.32 0.02 0.00 0.00 177.57 178.55 1xcj s MET 41 N -3.35 0.46 -0.03 1.57 1.75 -1.12 -5.01 119.30 113.57 1xcj s MET 41 Ca -0.13 -0.08 -0.01 0.00 -1.25 0.00 0.00 55.69 54.22 1xcj s MET 41 Cb 0.04 0.20 0.02 0.00 2.84 0.00 0.00 34.83 37.93 1xcj s MET 41 CO 0.82 -0.10 0.06 -1.21 -0.65 0.00 0.00 175.02 173.94 1xcj s GLU 42 N -0.82 0.03 0.59 4.11 2.02 -1.26 -1.11 118.70 122.27 1xcj s GLU 42 Ca -0.09 0.17 0.30 0.00 0.02 0.00 0.00 54.97 55.37 1xcj s GLU 42 Cb -0.05 -0.11 1.73 0.00 0.10 0.00 0.00 34.13 35.81 1xcj s GLU 42 CO 0.02 -0.10 2.15 -0.09 0.02 0.00 0.00 175.26 177.26 1xcj h ARG 43 N 6.74 0.00 -0.01 1.61 2.43 -1.59 -2.16 114.38 121.40 1xcj h ARG 43 Ca -0.36 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.82 1xcj h ARG 43 Cb 1.16 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.71 1xcj h ARG 43 CO 0.47 0.00 0.18 0.11 -1.51 0.00 0.00 179.97 179.22 1xcj h TRP 44 N 0.00 0.00 0.00 2.20 5.08 -1.97 -0.66 115.95 120.60 1xcj h TRP 44 Ca 0.06 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.03 1xcj h TRP 44 Cb 0.33 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.49 1xcj h TRP 44 CO 0.00 0.00 0.00 0.39 -1.28 0.00 0.00 178.44 177.55 1xcj n GLU 45 N -3.01 0.09 -0.30 0.12 1.02 -0.81 -4.40 120.64 113.35 1xcj n GLU 45 Ca -0.02 0.19 -0.02 0.00 -0.02 0.00 0.00 57.16 57.29 1xcj n GLU 45 Cb 0.24 -1.63 0.01 0.00 -0.02 0.00 0.00 31.44 30.05 1xcj n GLU 45 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1xcj n THR 46 N -1.78 -0.43 -0.23 2.62 -1.04 -0.26 -0.13 114.28 113.03 1xcj n THR 46 Ca 0.05 1.83 0.09 0.00 -2.04 0.00 0.00 64.05 63.97 1xcj n THR 46 Cb 0.29 -2.39 0.35 0.00 -1.82 0.00 0.00 70.33 66.76 1xcj n THR 46 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 1xcj h PRO 47 N 0.00 0.73 0.02 -2.82 0.11 -1.86 0.37 132.00 128.56 1xcj h PRO 47 Ca 0.24 -0.04 -0.17 0.00 0.11 0.00 0.00 66.00 66.14 1xcj h PRO 47 Cb 0.44 -0.17 0.01 0.00 0.11 0.00 0.00 31.00 31.40 1xcj h PRO 47 CO -0.76 0.49 -0.66 -0.92 -0.21 0.00 0.00 178.00 175.93 1xcj h TYR 48 N 0.76 0.62 -0.78 0.65 -0.00 -0.85 -2.40 116.97 114.97 1xcj h TYR 48 Ca 0.38 -0.35 0.09 0.00 -0.00 0.00 0.00 58.73 58.84 1xcj h TYR 48 Cb 0.45 -0.06 -0.07 0.00 -0.00 0.00 0.00 36.73 37.05 1xcj h TYR 48 CO -0.00 1.19 0.43 0.52 -0.00 0.00 0.00 178.16 180.30 1xcj h MET 49 N -0.12 0.72 -0.23 1.82 2.86 -0.60 0.21 114.93 119.58 1xcj h MET 49 Ca -0.09 -0.04 -0.04 0.00 -2.06 0.00 0.00 59.70 57.47 1xcj h MET 49 Cb 1.39 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 32.87 1xcj h MET 49 CO 0.13 0.47 -0.03 0.45 1.06 0.00 0.00 176.91 179.00 1xcj h HIS 50 N 0.74 0.35 -0.32 -0.22 3.86 -0.94 0.71 115.15 119.32 1xcj h HIS 50 Ca 0.37 -0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.53 1xcj h HIS 50 Cb 0.34 -0.10 -0.01 0.00 1.06 0.00 0.00 27.41 28.69 1xcj h HIS 50 CO -0.07 0.38 0.11 1.03 0.86 0.00 0.00 177.93 180.23 1xcj h SER 51 N 0.33 0.46 -0.59 2.45 0.87 -0.11 -0.92 113.55 116.03 1xcj h SER 51 Ca 0.07 -0.19 -0.10 0.00 -1.23 0.00 0.00 61.79 60.34 1xcj h SER 51 Cb 0.27 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.09 1xcj h SER 51 CO 0.01 0.53 -0.02 -0.07 -0.53 0.00 0.00 176.83 176.75 1xcj h LEU 52 N 0.36 1.04 -0.02 2.23 3.38 -0.32 -2.63 115.31 119.36 1xcj h LEU 52 Ca 0.10 -0.30 -0.00 0.00 0.09 0.00 0.00 57.88 57.77 1xcj h LEU 52 Cb 0.23 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 1xcj h LEU 52 CO -0.01 1.10 0.01 0.00 0.09 0.00 0.00 178.44 179.63 1xcj h ALA 53 N 1.00 0.02 -0.62 1.53 0.00 -0.67 0.48 119.26 121.00 1xcj h ALA 53 Ca 0.17 -0.06 0.08 0.00 0.00 0.00 0.00 54.91 55.09 1xcj h ALA 53 Cb 0.58 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 1xcj h ALA 53 CO 0.03 -0.41 0.41 0.00 0.00 0.00 0.00 179.25 179.28 1xcj h ALA 54 N 0.88 1.86 -0.11 0.00 0.00 -1.14 -1.23 119.26 119.52 1xcj h ALA 54 Ca 0.01 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 1xcj h ALA 54 Cb 0.12 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1xcj h ALA 54 CO -0.00 0.02 -0.34 0.00 0.00 0.00 0.00 179.25 178.93 1xcj h ALA 55 N 1.67 0.19 0.00 0.00 0.00 -1.01 -2.61 119.26 117.51 1xcj h ALA 55 Ca 0.28 -0.44 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 1xcj h ALA 55 Cb 0.37 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1xcj h ALA 55 CO -0.08 0.25 -0.14 0.00 0.00 0.00 0.00 179.25 179.28 1xcj h ALA 56 N 0.50 1.69 -0.40 0.00 0.00 -0.13 -2.35 119.26 118.56 1xcj h ALA 56 Ca -0.01 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1xcj h ALA 56 Cb 0.96 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1xcj h ALA 56 CO 0.07 0.17 0.00 0.00 0.00 0.00 0.00 179.25 179.49 1xcj n ALA 57 N -2.48 2.40 0.21 0.00 0.00 -0.54 -4.09 120.51 116.01 1xcj n ALA 57 Ca -0.03 -1.02 0.10 0.00 0.00 0.00 0.00 53.44 52.50 1xcj n ALA 57 Cb 0.21 -0.81 0.55 0.00 0.00 0.00 0.00 19.45 19.39 1xcj n ALA 57 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1xcj h SER 58 N 4.16 0.00 -0.01 0.00 4.64 -1.01 0.50 113.55 121.83 1xcj h SER 58 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1xcj h SER 58 Cb 0.94 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.03 1xcj h SER 58 CO 0.00 0.00 -0.15 0.54 -0.87 0.00 0.00 176.83 176.35 1xcj n ARG 59 N -2.33 1.47 0.00 4.77 3.00 -1.26 -5.07 116.66 117.23 1xcj n ARG 59 Ca -0.01 -0.92 0.00 0.00 -0.01 0.00 0.00 57.85 56.91 1xcj n ARG 59 Cb 0.27 -1.19 0.00 0.00 0.00 0.00 0.00 32.46 31.55 1xcj n ARG 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1xcj n GLY 60 N 0.87 2.60 7.00 -0.13 0.00 0.18 -4.91 105.19 110.80 1xcj n GLY 60 Ca 0.06 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.80 1xcj n GLY 60 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xcj n GLY 61 N 0.00 2.19 3.62 -0.02 0.00 -1.26 -4.44 105.19 105.28 1xcj n GLY 61 Ca 0.00 -0.32 -0.38 0.00 0.00 0.00 0.00 46.02 45.32 1xcj n GLY 61 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1xcj s ARG 62 N 0.00 4.02 -0.10 1.61 3.52 -1.26 -0.52 118.95 126.22 1xcj s ARG 62 Ca 0.00 -0.14 -0.00 0.00 -0.13 0.00 0.00 55.73 55.45 1xcj s ARG 62 Cb 0.00 -3.62 -0.02 0.00 -1.56 0.00 0.00 34.95 29.75 1xcj s ARG 62 CO 0.00 -0.14 -0.08 0.08 -0.81 0.00 0.00 175.30 174.35 1xcj s VAL 63 N 1.64 3.52 -0.16 7.11 1.01 0.10 -0.92 120.40 132.70 1xcj s VAL 63 Ca 0.11 -0.52 -0.04 0.00 0.00 0.00 0.00 61.98 61.53 1xcj s VAL 63 Cb -0.15 -2.47 -0.03 0.00 0.00 0.00 0.00 36.38 33.73 1xcj s VAL 63 CO 0.09 0.55 -0.03 -0.22 0.00 0.00 0.00 175.10 175.49 1xcj s LEU 64 N -0.20 3.32 -0.12 3.92 2.96 0.51 -0.05 118.68 129.02 1xcj s LEU 64 Ca 0.02 -0.10 0.01 0.00 -0.22 0.00 0.00 54.13 53.84 1xcj s LEU 64 Cb -0.13 -1.80 0.02 0.00 0.50 0.00 0.00 46.19 44.77 1xcj s LEU 64 CO 0.03 0.17 -0.15 -0.70 -1.32 0.00 0.00 176.35 174.38 1xcj s GLU 65 N 0.37 2.21 -0.34 1.98 2.12 0.89 -0.10 118.70 125.82 1xcj s GLU 65 Ca -0.03 -0.55 -0.09 0.00 0.36 0.00 0.00 54.97 54.66 1xcj s GLU 65 Cb -0.14 -1.92 0.02 0.00 0.26 0.00 0.00 34.13 32.35 1xcj s GLU 65 CO 0.03 -0.11 0.15 0.08 -0.54 0.00 0.00 175.26 174.87 1xcj s VAL 66 N 1.12 4.29 0.00 3.70 1.01 0.60 -1.29 120.40 129.82 1xcj s VAL 66 Ca -0.04 -0.83 0.00 0.00 0.00 0.00 0.00 61.98 61.12 1xcj s VAL 66 Cb -0.14 -3.34 0.00 0.00 0.00 0.00 0.00 36.38 32.90 1xcj s VAL 66 CO -0.04 -0.12 0.00 0.61 0.00 0.00 0.00 175.10 175.55 1xcj n GLY 67 N 4.93 0.71 0.14 4.51 0.00 0.16 -1.40 105.19 114.25 1xcj n GLY 67 Ca -0.13 -0.96 -0.22 0.00 0.00 0.00 0.00 46.02 44.71 1xcj n GLY 67 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1xcj h PHE 68 N 0.00 0.55 0.00 1.61 3.04 -1.83 -3.44 116.94 116.87 1xcj h PHE 68 Ca 0.00 -0.40 0.00 0.00 3.98 0.00 0.00 57.97 61.55 1xcj h PHE 68 Cb 0.00 -0.02 0.00 0.00 2.56 0.00 0.00 35.95 38.49 1xcj h PHE 68 CO 0.00 1.75 0.00 0.41 -2.02 0.00 0.00 178.31 178.45 1xcj n GLY 69 N 1.95 1.91 1.16 2.40 0.00 -1.26 -0.93 105.19 110.42 1xcj n GLY 69 Ca -0.30 0.42 0.08 0.00 0.00 0.00 0.00 46.02 46.23 1xcj n GLY 69 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1xcj n MET 70 N 2.71 3.30 -1.97 1.61 2.81 -1.26 -4.96 117.12 119.36 1xcj n MET 70 Ca 0.00 -2.65 -0.15 0.00 -1.81 0.00 0.00 57.70 53.09 1xcj n MET 70 Cb 0.00 -1.71 -0.03 0.00 -0.71 0.00 0.00 33.22 30.77 1xcj n MET 70 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1xcj n ALA 71 N 0.57 -0.50 -0.04 3.04 0.00 -0.10 -4.85 120.51 118.63 1xcj n ALA 71 Ca 0.21 0.17 -0.14 0.00 0.00 0.00 0.00 53.44 53.68 1xcj n ALA 71 Cb 0.76 -1.61 -0.09 0.00 0.00 0.00 0.00 19.45 18.51 1xcj n ALA 71 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1xcj h ILE 72 N 0.00 1.40 -0.12 0.00 2.04 -1.93 -1.79 117.51 117.11 1xcj h ILE 72 Ca -0.33 -1.44 -0.21 0.00 1.00 0.00 0.00 64.86 63.88 1xcj h ILE 72 Cb 1.12 2.14 0.00 0.00 -0.74 0.00 0.00 36.82 39.34 1xcj h ILE 72 CO 0.42 0.41 -0.77 0.00 0.00 0.00 0.00 178.15 178.21 1xcj h ALA 73 N 0.51 0.41 -0.70 1.87 0.00 -1.89 -3.13 119.26 116.34 1xcj h ALA 73 Ca 0.00 -0.61 0.06 0.00 0.00 0.00 0.00 54.91 54.36 1xcj h ALA 73 Cb 0.74 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.44 1xcj h ALA 73 CO 0.04 0.72 0.40 0.00 0.00 0.00 0.00 179.25 180.40 1xcj h ALA 74 N 0.70 0.93 -0.11 0.00 0.00 -1.88 -0.05 119.26 118.85 1xcj h ALA 74 Ca -0.05 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 1xcj h ALA 74 Cb 1.38 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 1xcj h ALA 74 CO 0.15 0.10 -0.22 0.77 0.00 0.00 0.00 179.25 180.04 1xcj h SER 75 N 0.74 0.18 0.60 0.00 0.02 -1.35 -2.08 113.55 111.66 1xcj h SER 75 Ca 0.31 -0.05 -0.20 0.00 -0.84 0.00 0.00 61.79 61.02 1xcj h SER 75 Cb 0.17 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.65 1xcj h SER 75 CO -0.17 0.41 -0.87 -0.09 -1.14 0.00 0.00 176.83 174.97 1xcj h ARG 76 N 0.17 0.18 -0.76 3.45 9.65 -1.16 -3.03 114.38 122.88 1xcj h ARG 76 Ca 0.03 -0.20 -0.02 0.00 -1.10 0.00 0.00 59.98 58.69 1xcj h ARG 76 Cb 0.49 0.06 -0.03 0.00 -1.39 0.00 0.00 29.97 29.10 1xcj h ARG 76 CO 0.03 0.94 0.38 0.28 2.80 0.00 0.00 179.97 184.40 1xcj h VAL 77 N 0.10 1.24 0.00 0.20 2.07 -0.54 -2.09 116.25 117.23 1xcj h VAL 77 Ca -0.04 -0.66 -0.00 0.00 0.82 0.00 0.00 66.70 66.82 1xcj h VAL 77 Cb 1.50 0.28 -0.00 0.00 -1.52 0.00 0.00 31.29 31.55 1xcj h VAL 77 CO 0.13 0.28 -0.01 1.56 0.02 0.00 0.00 177.57 179.55 1xcj h GLN 78 N 1.07 0.00 0.00 1.57 1.08 -1.28 -1.84 115.11 115.70 1xcj h GLN 78 Ca 0.26 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.46 1xcj h GLN 78 Cb 0.10 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.53 1xcj h GLN 78 CO -0.04 0.01 -0.06 1.96 -0.95 0.00 0.00 178.83 179.76 1xcj h GLN 79 N 0.00 0.00 -7.22 1.46 4.20 -1.33 -3.44 115.11 108.78 1xcj h GLN 79 Ca -0.00 0.00 -0.50 0.00 0.06 0.00 0.00 58.65 58.21 1xcj h GLN 79 Cb 0.20 0.00 0.05 0.00 0.30 0.00 0.00 27.48 28.03 1xcj h GLN 79 CO 0.00 0.00 0.33 0.00 -0.67 0.00 0.00 178.83 178.49 1xcj s ALA 80 N -3.14 3.18 -1.18 3.87 0.00 -0.69 -4.93 121.76 118.87 1xcj s ALA 80 Ca 0.09 -0.17 -0.17 0.00 0.00 0.00 0.00 51.96 51.71 1xcj s ALA 80 Cb 0.11 -2.95 0.11 0.00 0.00 0.00 0.00 23.12 20.39 1xcj s ALA 80 CO 0.63 -0.54 1.52 -1.25 0.00 0.00 0.00 175.76 176.11 1xcj s PRO 81 N -4.92 3.92 0.48 0.00 0.04 -1.26 -4.92 135.00 128.34 1xcj s PRO 81 Ca 0.53 -2.06 0.02 0.00 0.04 0.00 0.00 61.00 59.53 1xcj s PRO 81 Cb -0.11 -5.27 0.01 0.00 0.04 0.00 0.00 34.50 29.18 1xcj s PRO 81 CO 0.49 -2.02 0.70 0.42 0.04 0.00 0.00 177.00 176.63 1xcj s ILE 82 N 3.20 3.34 -0.20 0.56 -1.09 -1.26 -4.37 121.20 121.38 1xcj s ILE 82 Ca 0.46 -0.64 -0.04 0.00 -2.23 0.00 0.00 60.65 58.20 1xcj s ILE 82 Cb -0.00 -3.23 -0.11 0.00 -1.58 0.00 0.00 42.46 37.55 1xcj s ILE 82 CO 0.01 -0.15 -0.21 0.29 -1.23 0.00 0.00 174.94 173.65 1xcj n LYS 83 N -2.15 0.45 -3.85 2.79 5.02 0.32 -4.84 118.16 115.90 1xcj n LYS 83 Ca 0.05 0.14 -0.12 0.00 -2.02 0.00 0.00 58.31 56.36 1xcj n LYS 83 Cb 0.59 -1.31 -0.11 0.00 -0.02 0.00 0.00 35.03 34.18 1xcj n LYS 83 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1xcj s GLU 84 N -2.37 0.39 -0.42 1.97 2.02 -0.95 -3.76 118.70 115.58 1xcj s GLU 84 Ca -0.27 -0.19 0.02 0.00 0.02 0.00 0.00 54.97 54.56 1xcj s GLU 84 Cb 0.08 0.17 0.12 0.00 0.10 0.00 0.00 34.13 34.60 1xcj s GLU 84 CO 0.40 -0.08 0.19 -1.58 0.02 0.00 0.00 175.26 174.21 1xcj s HIS 85 N -0.89 2.29 -0.10 1.61 2.46 0.13 0.01 115.29 120.82 1xcj s HIS 85 Ca -0.10 -2.46 -0.23 0.00 0.47 0.00 0.00 55.06 52.73 1xcj s HIS 85 Cb -0.05 -2.10 -0.03 0.00 -0.13 0.00 0.00 32.58 30.26 1xcj s HIS 85 CO 0.01 -0.81 0.72 -1.58 -2.47 0.00 0.00 174.74 170.61 1xcj s TRP 86 N 0.56 3.53 -0.06 3.88 0.52 0.92 -1.34 118.94 126.95 1xcj s TRP 86 Ca 0.15 1.22 -0.00 0.00 0.02 0.00 0.00 56.10 57.49 1xcj s TRP 86 Cb -0.23 -2.84 0.03 0.00 -1.15 0.00 0.00 33.47 29.28 1xcj s TRP 86 CO -0.05 0.00 -0.02 -1.50 0.02 0.00 0.00 176.95 175.41 1xcj s ILE 87 N 1.15 0.43 -0.14 2.03 1.10 -0.53 -0.08 121.20 125.16 1xcj s ILE 87 Ca 0.37 0.03 -0.13 0.00 -0.51 0.00 0.00 60.65 60.41 1xcj s ILE 87 Cb -0.17 -0.53 -0.05 0.00 0.15 0.00 0.00 42.46 41.86 1xcj s ILE 87 CO 0.16 0.24 0.27 -0.63 -2.11 0.00 0.00 174.94 172.88 1xcj s ILE 88 N 1.54 5.31 -0.12 2.00 1.01 -0.41 -0.17 121.20 130.36 1xcj s ILE 88 Ca -0.01 0.51 -0.05 0.00 0.00 0.00 0.00 60.65 61.09 1xcj s ILE 88 Cb -0.13 -3.60 0.05 0.00 0.01 0.00 0.00 42.46 38.80 1xcj s ILE 88 CO -0.03 0.45 0.25 -0.70 0.00 0.00 0.00 174.94 174.91 1xcj s GLU 89 N 0.05 0.17 -0.02 2.79 2.56 -0.71 -0.66 118.70 122.88 1xcj s GLU 89 Ca 0.16 0.64 -0.03 0.00 0.00 0.00 0.00 54.97 55.74 1xcj s GLU 89 Cb -0.13 -0.09 -0.28 0.00 2.00 0.00 0.00 34.13 35.64 1xcj s GLU 89 CO 0.05 -0.23 0.75 0.00 -0.56 0.00 0.00 175.26 175.27 1xcj s ASN 91 N -6.95 6.77 0.21 0.00 3.84 -1.26 -4.50 114.94 113.05 1xcj s ASN 91 Ca -0.11 2.41 -0.10 0.00 0.21 0.00 0.00 52.86 55.27 1xcj s ASN 91 Cb 0.07 -2.59 0.22 0.00 -0.55 0.00 0.00 41.25 38.40 1xcj s ASN 91 CO 0.84 -0.68 1.82 0.44 -2.79 0.00 0.00 177.10 176.73 1xcj h ASP 92 N 6.60 0.60 0.13 -4.21 3.32 -1.25 -0.94 116.42 120.66 1xcj h ASP 92 Ca -0.43 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 56.64 1xcj h ASP 92 Cb 1.21 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.66 1xcj h ASP 92 CO 0.86 0.39 -0.06 1.23 -1.72 0.00 0.00 179.24 179.94 1xcj h GLY 93 N 0.73 -0.19 1.02 2.75 0.00 -1.80 -2.63 103.07 102.95 1xcj h GLY 93 Ca 0.29 0.07 -0.03 0.00 0.00 0.00 0.00 47.33 47.66 1xcj h GLY 93 CO -0.16 -0.07 0.35 -2.08 0.00 0.00 0.00 176.54 174.59 1xcj h VAL 94 N -0.30 1.24 -0.27 4.60 2.07 -1.89 -2.32 116.25 119.39 1xcj h VAL 94 Ca -0.02 -0.68 0.00 0.00 0.82 0.00 0.00 66.70 66.82 1xcj h VAL 94 Cb 0.24 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.31 1xcj h VAL 94 CO 0.03 0.29 0.18 0.15 0.02 0.00 0.00 177.57 178.23 1xcj h PHE 95 N 1.05 0.33 -0.48 1.57 3.04 -1.13 0.18 116.94 121.50 1xcj h PHE 95 Ca 0.25 0.01 -0.13 0.00 3.98 0.00 0.00 57.97 62.08 1xcj h PHE 95 Cb 0.12 -0.11 -0.01 0.00 2.56 0.00 0.00 35.95 38.51 1xcj h PHE 95 CO 0.01 0.21 -0.22 0.37 -2.02 0.00 0.00 178.31 176.66 1xcj h GLN 96 N 0.36 0.99 -0.62 1.11 5.75 -1.04 -0.54 115.11 121.12 1xcj h GLN 96 Ca 0.10 -0.42 -0.04 0.00 -0.15 0.00 0.00 58.65 58.14 1xcj h GLN 96 Cb -0.03 -0.03 -0.03 0.00 1.07 0.00 0.00 27.48 28.45 1xcj h GLN 96 CO -0.02 1.09 0.24 0.00 -2.65 0.00 0.00 178.83 177.50 1xcj h ARG 97 N 0.85 0.92 -0.99 1.69 2.47 -0.87 -1.16 114.38 117.29 1xcj h ARG 97 Ca 0.11 -0.17 0.10 0.00 -1.26 0.00 0.00 59.98 58.76 1xcj h ARG 97 Cb 0.79 -0.15 -0.08 0.00 -1.65 0.00 0.00 29.97 28.89 1xcj h ARG 97 CO 0.07 0.79 0.63 1.25 0.56 0.00 0.00 179.97 183.26 1xcj h LEU 98 N 0.86 0.95 -0.90 3.04 5.85 -0.24 0.28 115.31 125.15 1xcj h LEU 98 Ca 0.20 0.03 -0.10 0.00 0.84 0.00 0.00 57.88 58.85 1xcj h LEU 98 Cb 0.21 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 1xcj h LEU 98 CO -0.02 0.55 -0.50 1.56 -0.34 0.00 0.00 178.44 179.69 1xcj h GLN 99 N 1.05 0.00 -0.12 1.25 4.20 -0.50 0.25 115.11 121.23 1xcj h GLN 99 Ca 0.47 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 59.06 1xcj h GLN 99 Cb 0.36 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.14 1xcj h GLN 99 CO -0.23 0.50 -0.40 -0.91 -0.67 0.00 0.00 178.83 177.12 1xcj h ASN 100 N 0.00 0.56 -0.11 1.46 2.35 0.32 -3.30 115.58 116.86 1xcj h ASN 100 Ca -0.00 -0.61 -0.06 0.00 -0.55 0.00 0.00 56.30 55.08 1xcj h ASN 100 Cb 0.96 -0.16 -0.00 0.00 0.05 0.00 0.00 38.32 39.17 1xcj h ASN 100 CO 0.06 1.07 -0.15 -0.25 -1.65 0.00 0.00 177.43 176.52 1xcj h TRP 101 N 0.08 0.35 -1.39 1.19 7.01 -0.44 -3.13 115.95 119.62 1xcj h TRP 101 Ca -0.02 -0.12 0.40 0.00 2.11 0.00 0.00 58.89 61.27 1xcj h TRP 101 Cb 1.02 -0.07 -0.07 0.00 -2.10 0.00 0.00 29.16 27.95 1xcj h TRP 101 CO 0.11 0.74 0.98 0.00 -2.79 0.00 0.00 178.44 177.49 1xcj h ALA 102 N 0.55 3.21 0.04 2.65 0.00 -0.61 -1.77 119.26 123.33 1xcj h ALA 102 Ca 0.01 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.92 1xcj h ALA 102 Cb 0.70 0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.55 1xcj h ALA 102 CO 0.03 -1.64 -0.50 1.25 0.00 0.00 0.00 179.25 178.39 1xcj h LEU 103 N 0.04 -1.54 -0.04 0.00 7.12 -1.62 -2.84 115.31 116.43 1xcj h LEU 103 Ca 0.68 0.17 0.00 0.00 0.13 0.00 0.00 57.88 58.87 1xcj h LEU 103 Cb 2.62 0.58 0.00 0.00 -0.53 0.00 0.00 40.66 43.33 1xcj h LEU 103 CO -0.07 -0.52 -0.00 2.29 -0.13 0.00 0.00 178.44 180.01 1xcj n LYS 104 N -5.47 0.87 -2.16 1.25 2.85 -0.67 -4.91 118.16 109.92 1xcj n LYS 104 Ca -0.07 -0.04 -0.41 0.00 -1.05 0.00 0.00 58.31 56.73 1xcj n LYS 104 Cb 0.40 -1.50 -0.03 0.00 -0.65 0.00 0.00 35.03 33.25 1xcj n LYS 104 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 177.40 176.70 1xcj s GLN 105 N -2.16 4.35 0.19 -1.58 -1.52 -1.08 -4.94 119.66 112.92 1xcj s GLN 105 Ca 0.42 2.12 -0.06 0.00 -1.95 0.00 0.00 55.36 55.89 1xcj s GLN 105 Cb 0.21 -3.18 0.11 0.00 -0.22 0.00 0.00 33.01 29.94 1xcj s GLN 105 CO 0.40 -0.33 1.57 -1.00 -0.25 0.00 0.00 175.29 175.68 1xcj h PRO 106 N 5.54 0.77 -5.67 2.91 0.13 -1.90 -3.44 132.00 130.34 1xcj h PRO 106 Ca -0.45 -0.37 -0.67 0.00 -0.87 0.00 0.00 66.00 63.65 1xcj h PRO 106 Cb 1.21 -0.01 -0.07 0.00 0.13 0.00 0.00 31.00 32.27 1xcj h PRO 106 CO 0.79 0.99 -0.48 -1.01 -0.23 0.00 0.00 178.00 178.06 1xcj s HIS 107 N -4.43 3.59 0.01 1.56 3.76 -1.26 -5.03 115.29 113.49 1xcj s HIS 107 Ca -0.09 0.50 -0.39 0.00 -0.15 0.00 0.00 55.06 54.93 1xcj s HIS 107 Cb 0.12 -1.92 -0.18 0.00 1.11 0.00 0.00 32.58 31.71 1xcj s HIS 107 CO 0.85 0.73 1.24 1.17 -0.85 0.00 0.00 174.74 177.87 1xcj n LYS 108 N 1.82 0.56 -5.07 1.40 4.81 -1.25 -4.71 118.16 115.72 1xcj n LYS 108 Ca -0.19 0.20 -0.32 0.00 -0.87 0.00 0.00 58.31 57.14 1xcj n LYS 108 Cb 0.55 -1.77 -0.14 0.00 0.02 0.00 0.00 35.03 33.68 1xcj n LYS 108 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1xcj s VAL 109 N 0.47 2.63 -0.51 3.15 1.01 -1.26 0.22 120.40 126.11 1xcj s VAL 109 Ca 0.89 -0.89 0.03 0.00 0.00 0.00 0.00 61.98 62.02 1xcj s VAL 109 Cb -1.13 -1.99 0.14 0.00 0.00 0.00 0.00 36.38 33.40 1xcj s VAL 109 CO 0.54 0.58 0.29 -0.69 0.00 0.00 0.00 175.10 175.82 1xcj s VAL 110 N -0.63 2.15 -0.20 2.92 1.01 -0.45 -4.93 120.40 120.27 1xcj s VAL 110 Ca 0.10 -3.17 -0.29 0.00 0.00 0.00 0.00 61.98 58.62 1xcj s VAL 110 Cb -0.11 -2.49 -0.02 0.00 0.00 0.00 0.00 36.38 33.77 1xcj s VAL 110 CO 0.00 -0.87 1.37 -2.16 0.00 0.00 0.00 175.10 173.43 1xcj s PRO 111 N -0.22 4.08 -0.33 2.72 0.04 -1.26 -1.46 135.00 138.57 1xcj s PRO 111 Ca 0.19 1.60 -0.02 0.00 0.04 0.00 0.00 61.00 62.81 1xcj s PRO 111 Cb -0.22 -3.86 0.07 0.00 0.04 0.00 0.00 34.50 30.53 1xcj s PRO 111 CO -0.03 -0.92 0.07 -0.51 0.04 0.00 0.00 177.00 175.65 1xcj s LEU 112 N 4.05 4.34 0.13 -3.56 1.43 0.76 -4.94 118.68 120.89 1xcj s LEU 112 Ca 0.59 -1.51 -0.30 0.00 -1.03 0.00 0.00 54.13 51.88 1xcj s LEU 112 Cb -0.22 -1.75 -0.06 0.00 0.03 0.00 0.00 46.19 44.19 1xcj s LEU 112 CO 0.21 -0.35 1.00 -0.75 0.23 0.00 0.00 176.35 176.69 1xcj s LYS 113 N 1.22 4.67 0.00 1.70 2.20 -1.26 -1.73 119.74 126.54 1xcj s LYS 113 Ca -0.00 1.53 0.00 0.00 -0.36 0.00 0.00 55.97 57.13 1xcj s LYS 113 Cb -0.21 -3.35 0.00 0.00 -1.51 0.00 0.00 37.83 32.77 1xcj s LYS 113 CO -0.02 0.18 0.00 0.41 -0.36 0.00 0.00 175.35 175.56 1xcj n GLY 114 N 2.19 2.38 3.77 5.54 0.00 -0.21 -4.90 105.19 113.96 1xcj n GLY 114 Ca 0.02 -1.99 -0.37 0.00 0.00 0.00 0.00 46.02 43.68 1xcj n GLY 114 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xcj s LEU 115 N 0.00 4.13 0.47 0.99 1.43 -1.26 -2.75 118.68 121.68 1xcj s LEU 115 Ca 0.00 2.25 0.15 0.00 -1.03 0.00 0.00 54.13 55.50 1xcj s LEU 115 Cb 0.00 -4.13 1.07 0.00 0.03 0.00 0.00 46.19 43.17 1xcj s LEU 115 CO 0.00 -0.69 2.04 4.11 0.23 0.00 0.00 176.35 182.03 1xcj h TRP 116 N 2.44 0.00 0.00 0.29 5.08 -1.96 0.31 115.95 122.11 1xcj h TRP 116 Ca -0.49 -0.00 -0.01 0.00 1.08 0.00 0.00 58.89 59.47 1xcj h TRP 116 Cb 1.23 -0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 27.39 1xcj h TRP 116 CO 0.55 0.13 -0.05 0.93 -1.28 0.00 0.00 178.44 178.72 1xcj h GLU 117 N 0.00 0.00 0.00 0.12 3.07 -2.00 0.41 114.58 116.18 1xcj h GLU 117 Ca -0.00 0.00 -0.37 0.00 -0.50 0.00 0.00 59.36 58.49 1xcj h GLU 117 Cb 0.23 0.00 -0.07 0.00 -0.84 0.00 0.00 28.75 28.07 1xcj h GLU 117 CO 0.02 0.05 -2.38 0.39 -1.40 0.00 0.00 179.01 175.69 1xcj n GLU 118 N -4.05 0.74 -0.01 2.33 1.02 0.06 -4.57 120.64 116.16 1xcj n GLU 118 Ca -0.03 0.01 -0.20 0.00 -0.02 0.00 0.00 57.16 56.92 1xcj n GLU 118 Cb 0.14 -1.51 -0.14 0.00 -0.02 0.00 0.00 31.44 29.91 1xcj n GLU 118 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1xcj h VAL 119 N 0.00 1.21 -0.66 2.62 2.07 -0.18 -3.39 116.25 117.92 1xcj h VAL 119 Ca -0.54 -2.39 0.14 0.00 0.82 0.00 0.00 66.70 64.72 1xcj h VAL 119 Cb 2.18 2.83 -0.11 0.00 -1.52 0.00 0.00 31.29 34.68 1xcj h VAL 119 CO 0.01 0.64 0.06 0.00 0.02 0.00 0.00 177.57 178.31 1xcj h ALA 120 N -0.07 0.73 0.00 1.67 0.00 -0.40 0.08 119.26 121.26 1xcj h ALA 120 Ca -0.24 0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1xcj h ALA 120 Cb 1.59 0.29 0.00 0.00 0.00 0.00 0.00 17.79 19.67 1xcj h ALA 120 CO 0.04 -0.37 0.18 -1.35 0.00 0.00 0.00 179.25 177.74 1xcj h PRO 121 N 0.17 0.00 -0.24 0.00 0.11 -1.75 0.75 132.00 131.04 1xcj h PRO 121 Ca 0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.46 1xcj h PRO 121 Cb 0.59 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.70 1xcj h PRO 121 CO -0.52 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 177.52 1xcj n THR 122 N -2.38 0.30 -3.93 -1.15 -2.24 0.01 -4.89 114.28 100.01 1xcj n THR 122 Ca -0.01 -0.50 -0.37 0.00 -2.27 0.00 0.00 64.05 60.90 1xcj n THR 122 Cb 0.21 0.66 -0.06 0.00 -2.10 0.00 0.00 70.33 69.04 1xcj n THR 122 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1xcj s LEU 123 N -1.57 4.30 0.48 3.22 1.02 0.26 -5.09 118.68 121.30 1xcj s LEU 123 Ca 0.34 0.42 -0.23 0.00 0.02 0.00 0.00 54.13 54.69 1xcj s LEU 123 Cb 0.20 -2.04 -0.07 0.00 0.02 0.00 0.00 46.19 44.29 1xcj s LEU 123 CO 0.29 0.40 1.25 -2.84 0.02 0.00 0.00 176.35 175.46 1xcj s PRO 124 N -0.95 3.59 0.76 1.29 0.02 -1.26 -5.00 135.00 133.44 1xcj s PRO 124 Ca 0.14 1.98 -0.15 0.00 0.02 0.00 0.00 61.00 63.00 1xcj s PRO 124 Cb -0.12 -2.41 0.05 0.00 0.02 0.00 0.00 34.50 32.04 1xcj s PRO 124 CO 0.04 -0.75 1.22 -0.51 -0.33 0.00 0.00 177.00 176.67 1xcj s ASP 125 N -1.13 3.95 -1.60 2.53 1.01 -1.26 -3.08 116.67 117.08 1xcj s ASP 125 Ca 0.65 2.41 -0.07 0.00 0.71 0.00 0.00 52.55 56.25 1xcj s ASP 125 Cb -0.34 -2.59 0.06 0.00 1.01 0.00 0.00 42.92 41.06 1xcj s ASP 125 CO 0.41 -2.43 0.31 0.61 0.21 0.00 0.00 175.17 174.28 1xcj n GLY 126 N 0.53 -0.24 0.04 0.21 0.00 0.20 -4.86 105.19 101.08 1xcj n GLY 126 Ca 0.14 0.15 0.05 0.00 0.00 0.00 0.00 46.02 46.35 1xcj n GLY 126 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1xcj n HIS 127 N -4.42 0.12 -4.89 1.61 -0.00 -0.40 -4.38 115.22 102.86 1xcj n HIS 127 Ca -0.19 0.04 -0.33 0.00 0.46 0.00 0.00 57.72 57.70 1xcj n HIS 127 Cb 0.62 -0.69 -0.14 0.00 -0.12 0.00 0.00 29.99 29.66 1xcj n HIS 127 CO 0.00 0.00 0.00 -0.06 0.46 0.00 0.00 176.34 176.74 1xcj s PHE 128 N -3.21 2.71 -0.29 1.57 0.08 -0.20 -4.80 117.98 113.84 1xcj s PHE 128 Ca -0.08 -0.35 0.19 0.00 0.12 0.00 0.00 56.93 56.81 1xcj s PHE 128 Cb 0.11 -1.69 0.19 0.00 -0.57 0.00 0.00 43.02 41.06 1xcj s PHE 128 CO 0.88 0.03 1.49 -0.44 -0.10 0.00 0.00 175.22 177.08 1xcj h ASP 129 N 5.82 0.00 -3.40 1.36 3.32 -1.33 0.08 116.42 122.26 1xcj h ASP 129 Ca -0.39 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.61 1xcj h ASP 129 Cb 1.17 0.00 -0.23 0.00 0.22 0.00 0.00 39.33 40.49 1xcj h ASP 129 CO 0.52 0.25 -0.08 -0.83 -1.72 0.00 0.00 179.24 177.38 1xcj s GLY 130 N -4.35 -0.49 -0.06 2.75 0.00 -1.17 -0.23 107.32 103.77 1xcj s GLY 130 Ca 0.05 1.92 0.05 0.00 0.00 0.00 0.00 44.72 46.75 1xcj s GLY 130 CO 0.71 1.87 -0.24 -0.42 0.00 0.00 0.00 173.10 175.03 1xcj s ILE 131 N 1.10 1.98 -0.24 0.90 1.01 -0.15 -0.36 121.20 125.44 1xcj s ILE 131 Ca -0.06 -1.01 0.01 0.00 0.00 0.00 0.00 60.65 59.59 1xcj s ILE 131 Cb -0.06 -1.68 0.06 0.00 0.01 0.00 0.00 42.46 40.79 1xcj s ILE 131 CO -0.11 0.55 -0.06 -0.22 0.00 0.00 0.00 174.94 175.10 1xcj s LEU 132 N -0.03 2.79 -0.43 2.97 2.96 0.86 -1.58 118.68 126.23 1xcj s LEU 132 Ca -0.07 -1.25 -0.07 0.00 -0.22 0.00 0.00 54.13 52.52 1xcj s LEU 132 Cb -0.14 -1.26 0.10 0.00 0.50 0.00 0.00 46.19 45.38 1xcj s LEU 132 CO 0.05 -0.23 0.26 -0.47 -1.32 0.00 0.00 176.35 174.64 1xcj s TYR 133 N 1.32 3.42 -0.39 5.38 6.14 -0.82 -0.29 117.35 132.10 1xcj s TYR 133 Ca -0.06 -1.85 0.01 0.00 0.64 0.00 0.00 57.07 55.81 1xcj s TYR 133 Cb -0.19 -3.15 0.13 0.00 0.42 0.00 0.00 41.96 39.17 1xcj s TYR 133 CO -0.06 -0.92 0.21 0.34 0.64 0.00 0.00 175.55 175.76 1xcj s ASP 134 N 2.20 3.42 0.00 4.32 2.15 -0.50 -2.68 116.67 125.58 1xcj s ASP 134 Ca 0.05 -2.34 0.00 0.00 0.43 0.00 0.00 52.55 50.68 1xcj s ASP 134 Cb -0.24 -0.76 0.00 0.00 -0.30 0.00 0.00 42.92 41.62 1xcj s ASP 134 CO -0.00 -0.30 0.00 1.07 -0.17 0.00 0.00 175.17 175.77 1xcj n THR 135 N 3.89 0.00 -4.21 1.71 5.66 -1.24 -4.15 114.28 115.94 1xcj n THR 135 Ca 0.09 0.00 -0.17 0.00 -3.05 0.00 0.00 64.05 60.92 1xcj n THR 135 Cb 0.36 -0.53 -0.13 0.00 -1.55 0.00 0.00 70.33 68.49 1xcj n THR 135 CO 0.00 0.00 0.00 -0.47 -3.05 0.00 0.00 175.07 171.55 1xcj s TYR 136 N 0.85 0.89 0.07 1.09 5.04 -1.26 -4.95 117.35 119.08 1xcj s TYR 136 Ca 0.00 -0.35 -0.31 0.00 -2.44 0.00 0.00 57.07 53.97 1xcj s TYR 136 Cb 0.00 -0.53 -0.08 0.00 0.35 0.00 0.00 41.96 41.70 1xcj s TYR 136 CO 0.00 -0.01 1.50 -2.14 -1.34 0.00 0.00 175.55 173.56 1xcj s PRO 137 N -1.11 4.26 0.00 4.97 0.02 -1.26 -4.87 135.00 137.00 1xcj s PRO 137 Ca -0.02 2.16 0.27 0.00 0.02 0.00 0.00 61.00 63.43 1xcj s PRO 137 Cb -0.07 -3.44 0.83 0.00 0.02 0.00 0.00 34.50 31.83 1xcj s PRO 137 CO 0.01 -0.60 1.61 1.28 -0.33 0.00 0.00 177.00 178.97 1xcj n LEU 138 N 4.90 1.34 -3.57 -5.54 4.32 -1.26 -4.92 117.00 112.26 1xcj n LEU 138 Ca 0.14 -0.41 -0.14 0.00 -0.02 0.00 0.00 56.01 55.58 1xcj n LEU 138 Cb 0.42 -0.06 -0.05 0.00 -1.62 0.00 0.00 43.42 42.10 1xcj n LEU 138 CO 0.60 0.23 0.28 -0.94 -1.22 0.00 0.00 177.39 176.35 1xcj s SER 139 N -2.27 -0.44 0.25 -1.43 1.04 -1.26 0.12 113.70 109.70 1xcj s SER 139 Ca 0.30 0.19 -0.06 0.00 0.48 0.00 0.00 55.95 56.86 1xcj s SER 139 Cb 0.20 0.49 0.26 0.00 0.10 0.00 0.00 66.02 67.07 1xcj s SER 139 CO 0.44 -0.72 1.91 -0.08 0.98 0.00 0.00 173.24 175.77 1xcj h GLU 140 N 2.79 1.29 0.00 4.02 4.22 -1.50 -1.82 114.58 123.58 1xcj h GLU 140 Ca -0.31 -0.10 0.00 0.00 0.08 0.00 0.00 59.36 59.03 1xcj h GLU 140 Cb 1.21 -0.28 0.00 0.00 0.50 0.00 0.00 28.75 30.18 1xcj h GLU 140 CO 0.41 0.88 0.00 1.49 -2.18 0.00 0.00 179.01 179.61 1xcj h GLU 141 N 1.31 0.00 -0.12 1.92 4.81 -1.93 -2.56 114.58 118.02 1xcj h GLU 141 Ca 0.35 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.58 1xcj h GLU 141 Cb -0.09 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.29 1xcj h GLU 141 CO -0.07 0.00 0.00 -2.37 -0.73 0.00 0.00 179.01 175.84 1xcj n THR 142 N -2.80 1.35 -0.28 0.32 5.66 -0.96 -4.73 114.28 112.85 1xcj n THR 142 Ca 0.01 -1.38 0.10 0.00 -3.05 0.00 0.00 64.05 59.72 1xcj n THR 142 Cb 0.25 0.25 0.24 0.00 -1.55 0.00 0.00 70.33 69.51 1xcj n THR 142 CO 0.00 0.00 0.00 -0.25 -3.05 0.00 0.00 175.07 171.77 1xcj h TRP 143 N 0.73 0.22 -0.21 1.09 2.91 -0.90 -1.44 115.95 118.35 1xcj h TRP 143 Ca 0.00 0.05 0.00 0.00 1.13 0.00 0.00 58.89 60.07 1xcj h TRP 143 Cb 0.78 0.03 0.00 0.00 -0.51 0.00 0.00 29.16 29.47 1xcj h TRP 143 CO 0.12 -0.20 0.00 0.72 -1.03 0.00 0.00 178.44 178.05 1xcj n HIS 144 N -5.25 0.26 0.00 2.65 8.25 -1.26 -4.35 115.22 115.52 1xcj n HIS 144 Ca 0.18 -0.19 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 1xcj n HIS 144 Cb 0.59 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.70 1xcj n HIS 144 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1xcj n THR 145 N 0.96 0.00 -0.27 1.59 -2.24 -0.76 -4.83 114.28 108.73 1xcj n THR 145 Ca 0.13 -0.26 0.07 0.00 -2.27 0.00 0.00 64.05 61.71 1xcj n THR 145 Cb 0.45 0.92 0.21 0.00 -2.10 0.00 0.00 70.33 69.81 1xcj n THR 145 CO 0.00 0.00 0.00 1.12 -0.57 0.00 0.00 175.07 175.62 1xcj h HIS 146 N 0.00 0.51 -0.93 4.78 2.07 -1.57 0.81 115.15 120.82 1xcj h HIS 146 Ca 0.00 0.04 0.07 0.00 -2.85 0.00 0.00 60.37 57.63 1xcj h HIS 146 Cb 0.00 -0.10 -0.06 0.00 2.57 0.00 0.00 27.41 29.81 1xcj h HIS 146 CO 0.00 0.02 0.61 -0.56 -3.07 0.00 0.00 177.93 174.93 1xcj h GLN 147 N 0.41 1.02 -0.30 5.12 -0.00 -1.88 0.65 115.11 120.13 1xcj h GLN 147 Ca 0.44 -0.06 -0.03 0.00 -0.00 0.00 0.00 58.65 59.01 1xcj h GLN 147 Cb 0.72 -0.23 -0.02 0.00 -0.00 0.00 0.00 27.48 27.96 1xcj h GLN 147 CO -0.44 0.67 0.07 0.74 -0.00 0.00 0.00 178.83 179.86 1xcj h PHE 148 N 1.05 0.42 -0.66 0.06 0.05 -1.18 -0.94 116.94 115.75 1xcj h PHE 148 Ca 0.41 -0.02 -0.03 0.00 3.82 0.00 0.00 57.97 62.15 1xcj h PHE 148 Cb 0.23 -0.13 -0.03 0.00 2.00 0.00 0.00 35.95 38.02 1xcj h PHE 148 CO -0.00 0.38 0.31 -0.91 -0.18 0.00 0.00 178.31 177.91 1xcj h ASN 149 N 0.42 0.87 -0.16 2.17 2.35 -0.60 -1.28 115.58 119.35 1xcj h ASN 149 Ca 0.10 -0.14 -0.12 0.00 -0.55 0.00 0.00 56.30 55.59 1xcj h ASN 149 Cb 0.18 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.32 1xcj h ASN 149 CO -0.00 0.77 -0.36 0.15 -1.65 0.00 0.00 177.43 176.34 1xcj h PHE 150 N 0.91 0.68 -0.40 1.19 3.57 -1.08 -2.70 116.94 119.10 1xcj h PHE 150 Ca 0.22 -0.25 -0.03 0.00 3.53 0.00 0.00 57.97 61.45 1xcj h PHE 150 Cb 0.14 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 38.74 1xcj h PHE 150 CO 0.01 0.99 0.14 0.82 -2.23 0.00 0.00 178.31 178.03 1xcj h ILE 151 N 0.17 1.21 -0.05 1.41 2.04 -1.09 0.15 117.51 121.34 1xcj h ILE 151 Ca 0.00 -0.67 -0.13 0.00 1.00 0.00 0.00 64.86 65.06 1xcj h ILE 151 Cb 0.96 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 37.92 1xcj h ILE 151 CO 0.08 0.24 -0.58 0.11 0.00 0.00 0.00 178.15 177.99 1xcj h LYS 152 N 0.50 0.15 0.05 2.37 1.57 -1.33 -3.07 116.57 116.81 1xcj h LYS 152 Ca 0.13 -0.10 -0.21 0.00 -1.87 0.00 0.00 60.65 58.60 1xcj h LYS 152 Cb 0.23 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.54 1xcj h LYS 152 CO -0.01 0.69 -1.13 1.15 -0.57 0.00 0.00 179.45 179.59 1xcj h THR 153 N 0.12 1.10 0.00 -0.16 2.02 -1.37 -3.46 112.91 111.16 1xcj h THR 153 Ca -0.00 -2.30 -0.12 0.00 0.77 0.00 0.00 66.41 64.76 1xcj h THR 153 Cb 1.06 2.63 -0.02 0.00 -1.74 0.00 0.00 68.15 70.08 1xcj h THR 153 CO 0.08 0.54 -1.44 1.41 0.37 0.00 0.00 175.52 176.48 1xcj n HIS 154 N -4.23 0.00 -0.23 3.16 8.25 0.46 -4.73 115.22 117.90 1xcj n HIS 154 Ca -0.25 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.24 1xcj n HIS 154 Cb 0.74 -0.30 0.14 0.00 1.12 0.00 0.00 29.99 31.69 1xcj n HIS 154 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1xcj h ALA 155 N -0.07 0.73 -0.27 -1.41 0.00 -1.33 0.16 119.26 117.07 1xcj h ALA 155 Ca -0.18 0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1xcj h ALA 155 Cb 1.25 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 19.38 1xcj h ALA 155 CO -0.05 -0.40 0.05 0.35 0.00 0.00 0.00 179.25 179.20 1xcj h PHE 156 N 0.13 0.48 0.00 0.00 3.04 -1.84 -2.49 116.94 116.26 1xcj h PHE 156 Ca 0.37 -0.07 -0.05 0.00 3.98 0.00 0.00 57.97 62.21 1xcj h PHE 156 Cb 0.64 -0.13 -0.01 0.00 2.56 0.00 0.00 35.95 39.01 1xcj h PHE 156 CO -0.38 0.56 -0.24 0.07 -2.02 0.00 0.00 178.31 176.29 1xcj h ARG 157 N 0.27 0.00 0.00 1.11 0.11 -1.71 -3.21 114.38 110.95 1xcj h ARG 157 Ca 0.08 0.00 -0.13 0.00 0.10 0.00 0.00 59.98 60.03 1xcj h ARG 157 Cb 0.33 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.39 1xcj h ARG 157 CO 0.01 0.24 -0.64 -0.07 0.10 0.00 0.00 179.97 179.61 1xcj h LEU 158 N 0.00 0.00 -9.70 0.08 3.38 -0.47 0.57 115.31 109.17 1xcj h LEU 158 Ca -0.00 0.00 -0.51 0.00 0.09 0.00 0.00 57.88 57.45 1xcj h LEU 158 Cb 0.79 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.55 1xcj h LEU 158 CO 0.03 0.64 0.50 -0.76 0.09 0.00 0.00 178.44 178.95 1xcj s LEU 159 N -6.90 4.49 0.68 1.67 1.43 -0.96 -1.04 118.68 118.05 1xcj s LEU 159 Ca 0.01 2.19 -0.12 0.00 -1.03 0.00 0.00 54.13 55.18 1xcj s LEU 159 Cb 0.10 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.71 1xcj s LEU 159 CO 0.76 -0.25 1.06 -1.59 0.23 0.00 0.00 176.35 176.55 1xcj s LYS 160 N -0.61 2.96 -0.50 1.70 -2.85 0.01 -4.08 119.74 116.38 1xcj s LYS 160 Ca 0.49 1.05 -0.27 0.00 -1.00 0.00 0.00 55.97 56.24 1xcj s LYS 160 Cb -0.31 -1.99 -0.01 0.00 -2.06 0.00 0.00 37.83 33.46 1xcj s LYS 160 CO 0.37 -1.09 1.74 -1.25 0.10 0.00 0.00 175.35 175.22 1xcj s PRO 161 N -4.77 3.03 0.00 1.78 0.04 -1.26 0.01 135.00 133.84 1xcj s PRO 161 Ca 0.60 0.87 0.00 0.00 0.04 0.00 0.00 61.00 62.51 1xcj s PRO 161 Cb -0.15 -4.26 0.00 0.00 0.04 0.00 0.00 34.50 30.13 1xcj s PRO 161 CO 0.50 -2.24 0.00 0.41 0.04 0.00 0.00 177.00 175.71 1xcj n GLY 162 N 5.49 0.59 3.90 0.56 0.00 -1.26 -5.05 105.19 109.42 1xcj n GLY 162 Ca 0.20 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.93 1xcj n GLY 162 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1xcj s GLY 163 N -0.32 1.62 0.02 -0.02 0.00 0.10 -4.98 107.32 103.73 1xcj s GLY 163 Ca 0.00 -0.63 0.05 0.00 0.00 0.00 0.00 44.72 44.13 1xcj s GLY 163 CO 0.00 -0.19 -0.14 -1.50 0.00 0.00 0.00 173.10 171.27 1xcj s ILE 164 N -3.44 1.08 -0.12 0.90 2.07 0.68 -4.18 121.20 118.19 1xcj s ILE 164 Ca 0.60 -0.81 0.01 0.00 -1.41 0.00 0.00 60.65 59.05 1xcj s ILE 164 Cb -0.11 -0.95 -0.01 0.00 0.13 0.00 0.00 42.46 41.53 1xcj s ILE 164 CO 0.49 0.13 -0.18 -0.22 -1.91 0.00 0.00 174.94 173.25 1xcj s LEU 165 N -0.78 2.44 0.09 8.50 2.96 0.22 -0.97 118.68 131.14 1xcj s LEU 165 Ca 0.03 -0.44 0.04 0.00 -0.22 0.00 0.00 54.13 53.54 1xcj s LEU 165 Cb -0.07 -1.53 -0.04 0.00 0.50 0.00 0.00 46.19 45.06 1xcj s LEU 165 CO 0.00 0.15 -0.10 0.28 -1.32 0.00 0.00 176.35 175.37 1xcj s THR 166 N 0.42 0.93 0.17 3.68 -1.32 -0.61 -1.26 115.64 117.64 1xcj s THR 166 Ca -0.13 -1.61 -0.23 0.00 -1.21 0.00 0.00 61.69 58.51 1xcj s THR 166 Cb -0.17 -1.32 0.08 0.00 -1.51 0.00 0.00 72.50 69.58 1xcj s THR 166 CO 0.06 -0.54 1.04 -0.72 -2.21 0.00 0.00 174.62 172.25 1xcj s TYR 167 N -2.37 0.03 -0.17 9.09 1.13 -1.26 -1.95 117.35 121.84 1xcj s TYR 167 Ca 0.05 -0.39 -0.29 0.00 -1.41 0.00 0.00 57.07 55.02 1xcj s TYR 167 Cb -0.03 0.68 0.12 0.00 -1.10 0.00 0.00 41.96 41.63 1xcj s TYR 167 CO 0.00 -0.86 0.96 0.00 -2.51 0.00 0.00 175.55 173.14 1xcj s ASN 169 N -0.81 2.78 0.33 0.00 3.84 -1.26 -4.47 114.94 115.35 1xcj s ASN 169 Ca -0.02 -2.69 0.10 0.00 0.21 0.00 0.00 52.86 50.46 1xcj s ASN 169 Cb -0.01 -0.65 0.57 0.00 -0.55 0.00 0.00 41.25 40.60 1xcj s ASN 169 CO 0.01 -0.24 1.75 -0.07 -2.79 0.00 0.00 177.10 175.76 1xcj h LEU 170 N 6.40 0.09 -1.36 3.21 4.07 -1.96 -1.07 115.31 124.69 1xcj h LEU 170 Ca 0.12 -0.04 -0.05 0.00 0.08 0.00 0.00 57.88 57.99 1xcj h LEU 170 Cb 0.92 -0.02 -0.01 0.00 1.08 0.00 0.00 40.66 42.63 1xcj h LEU 170 CO 0.38 0.51 -0.08 0.74 -1.08 0.00 0.00 178.44 178.91 1xcj h THR 171 N 0.07 1.18 0.00 0.22 2.02 -1.93 -0.33 112.91 114.15 1xcj h THR 171 Ca 0.00 -0.76 -0.06 0.00 0.77 0.00 0.00 66.41 66.37 1xcj h THR 171 Cb 0.79 1.11 -0.01 0.00 -1.74 0.00 0.00 68.15 68.29 1xcj h THR 171 CO 0.06 0.24 -0.38 -1.28 0.37 0.00 0.00 175.52 174.53 1xcj h SER 172 N 0.32 0.00 -0.87 4.18 0.87 -1.68 -3.36 113.55 113.01 1xcj h SER 172 Ca 0.07 -0.54 0.06 0.00 -1.23 0.00 0.00 61.79 60.15 1xcj h SER 172 Cb 0.34 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.24 1xcj h SER 172 CO 0.02 0.99 0.55 -0.50 -0.53 0.00 0.00 176.83 177.35 1xcj h TRP 173 N -1.00 1.01 -0.92 2.24 6.55 -1.16 -1.01 115.95 121.66 1xcj h TRP 173 Ca -0.09 0.03 0.06 0.00 0.95 0.00 0.00 58.89 59.84 1xcj h TRP 173 Cb 0.81 -0.33 -0.06 0.00 -0.86 0.00 0.00 29.16 28.72 1xcj h TRP 173 CO 0.11 0.53 0.60 0.78 -1.05 0.00 0.00 178.44 179.41 1xcj h GLY 174 N 1.01 1.36 1.39 1.49 0.00 -1.16 0.35 103.07 107.50 1xcj h GLY 174 Ca 0.38 -0.43 -0.16 0.00 0.00 0.00 0.00 47.33 47.12 1xcj h GLY 174 CO -0.17 0.31 -0.50 -2.09 0.00 0.00 0.00 176.54 174.10 1xcj h GLU 175 N 1.06 0.65 -0.12 4.80 4.57 -1.49 -2.26 114.58 121.79 1xcj h GLU 175 Ca 0.40 -0.38 -0.12 0.00 -1.18 0.00 0.00 59.36 58.07 1xcj h GLU 175 Cb 0.19 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.80 1xcj h GLU 175 CO -0.15 1.00 -0.46 -0.07 -1.18 0.00 0.00 179.01 178.14 1xcj h LEU 176 N 0.51 0.31 0.00 1.64 4.07 -0.15 -0.05 115.31 121.65 1xcj h LEU 176 Ca 0.02 -0.14 0.00 0.00 0.08 0.00 0.00 57.88 57.84 1xcj h LEU 176 Cb 1.05 -0.09 0.00 0.00 1.08 0.00 0.00 40.66 42.70 1xcj h LEU 176 CO 0.10 0.73 0.00 0.23 -1.08 0.00 0.00 178.44 178.42 1xcj n MET 177 N -3.98 0.36 -0.13 1.13 2.81 0.11 -1.81 117.12 115.61 1xcj n MET 177 Ca -0.02 0.02 -0.26 0.00 -1.81 0.00 0.00 57.70 55.63 1xcj n MET 177 Cb 0.52 -1.50 -0.09 0.00 -0.71 0.00 0.00 33.22 31.44 1xcj n MET 177 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1xcj n LYS 178 N -1.31 0.53 -0.01 0.03 5.02 -0.86 -4.47 118.16 117.10 1xcj n LYS 178 Ca 0.13 0.23 -0.17 0.00 -2.02 0.00 0.00 58.31 56.47 1xcj n LYS 178 Cb 0.23 -1.39 -0.09 0.00 -0.02 0.00 0.00 35.03 33.76 1xcj n LYS 178 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1xcj h SER 179 N -0.85 0.65 0.00 4.39 4.64 -1.07 -3.43 113.55 117.88 1xcj h SER 179 Ca -0.63 -0.68 0.00 0.00 -0.47 0.00 0.00 61.79 60.01 1xcj h SER 179 Cb 1.57 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 63.47 1xcj h SER 179 CO -0.37 1.23 0.00 0.29 -0.87 0.00 0.00 176.83 177.11 1xcj n LYS 180 N -4.17 2.56 -4.32 4.77 5.02 -0.84 -5.09 118.16 116.09 1xcj n LYS 180 Ca -0.09 -0.04 -0.19 0.00 -2.02 0.00 0.00 58.31 55.98 1xcj n LYS 180 Cb 0.66 -0.31 -0.13 0.00 -0.02 0.00 0.00 35.03 35.22 1xcj n LYS 180 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1xcj s TYR 181 N -0.38 1.03 0.00 2.13 1.51 -0.75 -4.95 117.35 115.95 1xcj s TYR 181 Ca 0.00 -0.31 0.00 0.00 -1.01 0.00 0.00 57.07 55.75 1xcj s TYR 181 Cb 0.00 -0.63 0.00 0.00 -0.11 0.00 0.00 41.96 41.22 1xcj s TYR 181 CO 0.00 0.00 0.79 0.25 -1.11 0.00 0.00 175.55 175.49 1xcj n THR 182 N 2.12 0.62 -3.73 -0.71 -2.24 -1.26 -4.39 114.28 104.68 1xcj n THR 182 Ca -0.17 -0.75 -0.29 0.00 -2.27 0.00 0.00 64.05 60.57 1xcj n THR 182 Cb 0.55 0.73 -0.15 0.00 -2.10 0.00 0.00 70.33 69.36 1xcj n THR 182 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1xcj s ASP 183 N -0.62 3.68 0.36 3.42 -1.08 -1.26 -5.02 116.67 116.15 1xcj s ASP 183 Ca 0.00 -1.36 0.05 0.00 -0.52 0.00 0.00 52.55 50.72 1xcj s ASP 183 Cb 0.00 -0.78 0.72 0.00 -1.46 0.00 0.00 42.92 41.40 1xcj s ASP 183 CO 0.00 -0.38 1.99 -0.29 0.52 0.00 0.00 175.17 177.01 1xcj h ILE 184 N 6.50 1.08 -0.18 4.11 2.10 -1.98 -0.82 117.51 128.33 1xcj h ILE 184 Ca -0.15 -0.26 -0.15 0.00 1.08 0.00 0.00 64.86 65.38 1xcj h ILE 184 Cb 1.05 0.25 -0.01 0.00 -1.09 0.00 0.00 36.82 37.01 1xcj h ILE 184 CO 0.43 0.14 -0.50 0.71 -1.08 0.00 0.00 178.15 177.84 1xcj h THR 185 N 0.77 1.32 -0.39 2.19 1.35 -1.99 -1.91 112.91 114.25 1xcj h THR 185 Ca 0.26 -1.74 -0.08 0.00 -0.55 0.00 0.00 66.41 64.31 1xcj h THR 185 Cb 0.10 1.73 -0.02 0.00 -1.73 0.00 0.00 68.15 68.23 1xcj h THR 185 CO -0.07 0.54 -0.09 0.00 -0.25 0.00 0.00 175.52 175.65 1xcj h ALA 186 N 1.06 1.12 -0.39 6.62 0.00 -1.66 -1.81 119.26 124.21 1xcj h ALA 186 Ca 0.02 -0.28 -0.08 0.00 0.00 0.00 0.00 54.91 54.57 1xcj h ALA 186 Cb 1.02 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1xcj h ALA 186 CO 0.09 0.55 -0.06 0.00 0.00 0.00 0.00 179.25 179.84 1xcj h MET 187 N 0.62 0.72 -0.41 0.00 -0.00 -0.83 -2.51 114.93 112.51 1xcj h MET 187 Ca 0.11 -0.26 -0.02 0.00 -0.00 0.00 0.00 59.70 59.53 1xcj h MET 187 Cb 0.51 -0.05 -0.02 0.00 -0.00 0.00 0.00 31.60 32.05 1xcj h MET 187 CO 0.03 0.85 0.17 0.35 -0.00 0.00 0.00 176.91 178.31 1xcj h PHE 188 N 0.54 0.62 -0.68 -0.10 3.04 -1.02 0.11 116.94 119.45 1xcj h PHE 188 Ca 0.10 -0.04 -0.01 0.00 3.98 0.00 0.00 57.97 62.00 1xcj h PHE 188 Cb 0.56 -0.19 -0.03 0.00 2.56 0.00 0.00 35.95 38.85 1xcj h PHE 188 CO 0.05 0.54 0.37 1.49 -2.02 0.00 0.00 178.31 178.74 1xcj h GLU 189 N 0.53 0.95 0.21 1.11 4.57 -1.33 0.27 114.58 120.87 1xcj h GLU 189 Ca 0.14 -0.11 -0.32 0.00 -1.18 0.00 0.00 59.36 57.89 1xcj h GLU 189 Cb 0.17 -0.19 0.03 0.00 -0.16 0.00 0.00 28.75 28.61 1xcj h GLU 189 CO -0.01 0.71 -1.40 0.93 -1.18 0.00 0.00 179.01 178.06 1xcj h GLU 190 N 0.93 0.47 0.00 1.92 5.08 -1.34 -3.31 114.58 118.33 1xcj h GLU 190 Ca 0.24 -0.79 0.00 0.00 -1.00 0.00 0.00 59.36 57.81 1xcj h GLU 190 Cb 0.04 0.29 0.00 0.00 0.50 0.00 0.00 28.75 29.58 1xcj h GLU 190 CO -0.04 1.37 -1.69 0.25 -1.00 0.00 0.00 179.01 177.90 1xcj n THR 191 N -3.67 0.00 -0.07 1.13 -2.24 0.37 -4.64 114.28 105.17 1xcj n THR 191 Ca -0.14 -0.37 -0.11 0.00 -2.27 0.00 0.00 64.05 61.16 1xcj n THR 191 Cb 1.07 0.22 -0.06 0.00 -2.10 0.00 0.00 70.33 69.47 1xcj n THR 191 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xcj n GLN 192 N -2.03 0.32 -0.30 -0.78 1.13 0.81 -4.68 117.38 111.84 1xcj n GLN 192 Ca -0.02 0.09 0.09 0.00 -1.94 0.00 0.00 57.00 55.22 1xcj n GLN 192 Cb 0.45 -1.17 0.25 0.00 0.11 0.00 0.00 30.24 29.89 1xcj n GLN 192 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 1xcj h VAL 193 N -0.18 0.64 -0.41 5.09 2.07 -1.29 -1.98 116.25 120.20 1xcj h VAL 193 Ca -0.31 -0.19 0.08 0.00 0.82 0.00 0.00 66.70 67.10 1xcj h VAL 193 Cb 1.40 0.05 -0.07 0.00 -1.52 0.00 0.00 31.29 31.15 1xcj h VAL 193 CO -0.11 0.10 -0.03 -0.65 0.02 0.00 0.00 177.57 176.91 1xcj h PRO 194 N 0.55 0.08 -0.50 1.57 0.11 -1.82 0.13 132.00 132.10 1xcj h PRO 194 Ca 0.49 -0.00 -0.08 0.00 0.11 0.00 0.00 66.00 66.52 1xcj h PRO 194 Cb 0.79 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 31.86 1xcj h PRO 194 CO -0.42 0.05 -0.02 0.00 -0.21 0.00 0.00 178.00 177.41 1xcj h ALA 195 N 1.37 1.03 -0.17 -0.75 0.00 -1.66 -1.32 119.26 117.76 1xcj h ALA 195 Ca 0.20 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1xcj h ALA 195 Cb 0.29 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1xcj h ALA 195 CO -0.36 0.60 0.11 -0.07 0.00 0.00 0.00 179.25 179.53 1xcj h LEU 196 N 0.79 0.18 -0.98 0.00 4.07 -0.71 0.11 115.31 118.76 1xcj h LEU 196 Ca 0.15 -0.00 -0.00 0.00 0.08 0.00 0.00 57.88 58.10 1xcj h LEU 196 Cb 0.50 -0.04 -0.05 0.00 1.08 0.00 0.00 40.66 42.15 1xcj h LEU 196 CO 0.02 0.13 0.60 -0.07 -1.08 0.00 0.00 178.44 178.04 1xcj h LEU 197 N 0.22 1.14 -1.04 1.67 4.07 -0.51 -1.33 115.31 119.53 1xcj h LEU 197 Ca 0.06 -0.06 -0.06 0.00 0.08 0.00 0.00 57.88 57.91 1xcj h LEU 197 Cb -0.02 -0.29 -0.02 0.00 1.08 0.00 0.00 40.66 41.41 1xcj h LEU 197 CO -0.02 0.86 0.02 -0.08 -1.08 0.00 0.00 178.44 178.13 1xcj h GLU 198 N 1.32 0.70 0.00 1.13 4.81 -0.57 -1.71 114.58 120.26 1xcj h GLU 198 Ca 0.35 -0.17 0.00 0.00 -0.13 0.00 0.00 59.36 59.41 1xcj h GLU 198 Cb -0.09 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.20 1xcj h GLU 198 CO -0.07 0.71 0.00 0.00 -0.73 0.00 0.00 179.01 178.92 1xcj n ALA 199 N -2.47 1.50 0.00 2.92 0.00 0.30 -4.84 120.51 117.92 1xcj n ALA 199 Ca 0.02 0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.55 1xcj n ALA 199 Cb 0.27 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.38 1xcj n ALA 199 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xcj n GLY 200 N -0.35 1.31 3.82 0.00 0.00 -0.64 -4.78 105.19 104.55 1xcj n GLY 200 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 1xcj n GLY 200 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1xcj s PHE 201 N -2.00 3.44 0.09 1.61 0.40 -1.12 -5.01 117.98 115.38 1xcj s PHE 201 Ca 0.00 1.55 -0.15 0.00 -0.60 0.00 0.00 56.93 57.72 1xcj s PHE 201 Cb 0.00 -2.78 -0.07 0.00 0.51 0.00 0.00 43.02 40.68 1xcj s PHE 201 CO 0.00 0.04 0.52 -0.65 0.70 0.00 0.00 175.22 175.83 1xcj s GLN 202 N -2.78 4.02 0.53 0.44 -0.21 -1.26 -4.08 119.66 116.31 1xcj s GLN 202 Ca 0.56 0.53 0.25 0.00 0.02 0.00 0.00 55.36 56.71 1xcj s GLN 202 Cb -0.12 -3.08 1.38 0.00 1.00 0.00 0.00 33.01 32.19 1xcj s GLN 202 CO 0.17 0.57 2.00 0.00 -2.12 0.00 0.00 175.29 175.91 1xcj h ARG 203 N 4.06 0.02 0.00 2.91 2.47 -1.96 0.10 114.38 121.98 1xcj h ARG 203 Ca -0.49 -0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.19 1xcj h ARG 203 Cb 1.20 -0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.52 1xcj h ARG 203 CO 0.64 0.01 -0.16 1.49 0.56 0.00 0.00 179.97 182.51 1xcj h GLU 204 N 0.02 0.00 -0.56 0.04 4.22 -1.99 -2.68 114.58 113.62 1xcj h GLU 204 Ca 0.25 0.00 -0.11 0.00 0.08 0.00 0.00 59.36 59.58 1xcj h GLU 204 Cb 0.97 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.16 1xcj h GLU 204 CO -0.01 0.16 0.12 0.09 -2.18 0.00 0.00 179.01 177.19 1xcj n ASN 205 N -3.90 4.66 -3.97 1.04 3.02 0.35 -4.82 115.26 111.64 1xcj n ASN 205 Ca -0.02 -3.15 -0.31 0.00 -0.03 0.00 0.00 54.58 51.07 1xcj n ASN 205 Cb 0.26 -0.68 -0.15 0.00 -0.61 0.00 0.00 39.78 38.60 1xcj n ASN 205 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 1xcj s ILE 206 N -2.93 1.79 0.43 2.41 -1.16 -1.01 -1.19 121.20 119.53 1xcj s ILE 206 Ca 0.51 -1.60 0.07 0.00 -0.51 0.00 0.00 60.65 59.12 1xcj s ILE 206 Cb 0.41 -2.10 -0.05 0.00 0.61 0.00 0.00 42.46 41.32 1xcj s ILE 206 CO 0.12 -0.26 0.12 0.00 -2.81 0.00 0.00 174.94 172.12 1xcj s THR 208 N -2.67 0.04 -0.06 0.00 -4.23 -1.26 0.43 115.64 107.90 1xcj s THR 208 Ca 0.36 -0.36 0.03 0.00 -1.18 0.00 0.00 61.69 60.54 1xcj s THR 208 Cb 0.05 -0.58 0.00 0.00 1.34 0.00 0.00 72.50 73.32 1xcj s THR 208 CO 0.19 -0.20 -0.15 -1.61 -0.54 0.00 0.00 174.62 172.31 1xcj s GLU 209 N -0.96 1.87 -0.13 3.99 2.02 -0.88 -4.94 118.70 119.66 1xcj s GLU 209 Ca -0.10 -0.54 -0.06 0.00 0.02 0.00 0.00 54.97 54.28 1xcj s GLU 209 Cb -0.05 -1.55 -0.04 0.00 0.10 0.00 0.00 34.13 32.60 1xcj s GLU 209 CO 0.03 0.13 0.08 0.08 0.02 0.00 0.00 175.26 175.61 1xcj s VAL 210 N 0.36 5.00 0.10 2.63 1.01 -1.26 -1.34 120.40 126.90 1xcj s VAL 210 Ca -0.10 0.03 0.04 0.00 0.00 0.00 0.00 61.98 61.94 1xcj s VAL 210 Cb -0.14 -3.19 -0.04 0.00 0.00 0.00 0.00 36.38 33.01 1xcj s VAL 210 CO 0.04 0.56 -0.11 0.00 0.00 0.00 0.00 175.10 175.58 1xcj s MET 211 N -0.50 0.90 -0.01 2.72 0.23 -0.84 -5.00 119.30 116.79 1xcj s MET 211 Ca 0.11 -1.17 -0.18 0.00 -1.03 0.00 0.00 55.69 53.42 1xcj s MET 211 Cb -0.12 -0.65 -0.05 0.00 -1.53 0.00 0.00 34.83 32.48 1xcj s MET 211 CO 0.02 0.11 0.49 0.00 -2.03 0.00 0.00 175.02 173.61 1xcj s ALA 212 N -2.31 3.58 -0.28 3.16 0.00 -1.26 -1.09 121.76 123.57 1xcj s ALA 212 Ca 0.06 -0.11 -0.04 0.00 0.00 0.00 0.00 51.96 51.86 1xcj s ALA 212 Cb -0.04 -2.57 0.15 0.00 0.00 0.00 0.00 23.12 20.67 1xcj s ALA 212 CO 0.01 0.29 0.56 -1.17 0.00 0.00 0.00 175.76 175.45 1xcj s LEU 213 N -0.51 -1.12 -0.51 0.00 2.96 -0.68 -4.89 118.68 113.93 1xcj s LEU 213 Ca 0.27 0.98 -0.23 0.00 -0.22 0.00 0.00 54.13 54.93 1xcj s LEU 213 Cb -0.17 1.95 0.04 0.00 0.50 0.00 0.00 46.19 48.51 1xcj s LEU 213 CO 0.14 -0.25 0.84 -0.69 -1.32 0.00 0.00 176.35 175.07 1xcj s VAL 214 N 2.79 4.56 0.65 1.68 1.01 -1.26 -3.38 120.40 126.45 1xcj s VAL 214 Ca 0.10 0.20 -0.16 0.00 0.00 0.00 0.00 61.98 62.12 1xcj s VAL 214 Cb -0.14 -4.43 -0.00 0.00 0.00 0.00 0.00 36.38 31.81 1xcj s VAL 214 CO -0.19 -0.93 1.15 -2.16 0.00 0.00 0.00 175.10 172.97 1xcj s PRO 215 N 3.51 2.75 0.45 2.72 0.04 -1.26 -4.99 135.00 138.22 1xcj s PRO 215 Ca 0.28 1.57 -0.24 0.00 0.04 0.00 0.00 61.00 62.64 1xcj s PRO 215 Cb -0.13 -1.93 -0.07 0.00 0.04 0.00 0.00 34.50 32.40 1xcj s PRO 215 CO 0.19 -1.32 1.29 -1.25 0.04 0.00 0.00 177.00 175.95 1xcj s PRO 216 N -3.83 3.71 0.48 0.56 0.04 -1.26 -4.89 135.00 129.81 1xcj s PRO 216 Ca 0.71 2.09 0.14 0.00 0.04 0.00 0.00 61.00 63.98 1xcj s PRO 216 Cb -0.24 -2.55 1.14 0.00 0.04 0.00 0.00 34.50 32.89 1xcj s PRO 216 CO 0.39 -0.68 2.08 0.00 0.04 0.00 0.00 177.00 178.83 1xcj h ALA 217 N 2.22 1.99 0.00 8.56 0.00 -1.94 0.99 119.26 131.08 1xcj h ALA 217 Ca -0.50 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1xcj h ALA 217 Cb 1.26 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1xcj h ALA 217 CO 0.61 -0.03 0.00 -0.40 0.00 0.00 0.00 179.25 179.42 1xcj n ASP 218 N -4.49 0.00 -4.66 0.00 5.75 -1.26 -4.77 116.55 107.12 1xcj n ASP 218 Ca 0.02 -1.21 -0.43 0.00 -0.01 0.00 0.00 54.79 53.16 1xcj n ASP 218 Cb 0.19 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.26 1xcj n ASP 218 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1xcj h ARG 220 N 7.56 0.00 -0.01 0.00 3.08 -1.88 -3.35 114.38 119.78 1xcj h ARG 220 Ca -0.20 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.85 1xcj h ARG 220 Cb 1.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.11 1xcj h ARG 220 CO 0.98 0.12 -0.28 2.48 -1.07 0.00 0.00 179.97 182.21 1xcj n TYR 221 N -3.13 0.00 -3.68 3.04 4.11 -1.26 -4.96 117.16 111.28 1xcj n TYR 221 Ca 0.03 0.00 -0.10 0.00 -0.00 0.00 0.00 57.90 57.83 1xcj n TYR 221 Cb 0.57 0.00 -0.11 0.00 -0.00 0.00 0.00 39.34 39.80 1xcj n TYR 221 CO 0.00 0.00 0.00 -0.47 -0.00 0.00 0.00 176.86 176.39 1xcj s TYR 222 N -1.59 -0.63 -0.00 -3.48 6.14 -1.26 -3.86 117.35 112.67 1xcj s TYR 222 Ca 0.10 1.30 0.00 0.00 0.64 0.00 0.00 57.07 59.11 1xcj s TYR 222 Cb 0.10 0.22 -0.00 0.00 0.42 0.00 0.00 41.96 42.70 1xcj s TYR 222 CO 0.32 -0.39 0.00 0.00 0.64 0.00 0.00 175.55 176.12 1xcj n ALA 223 N 4.84 2.00 -1.89 3.97 0.00 -1.26 -4.71 120.51 123.46 1xcj n ALA 223 Ca -0.16 -0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.86 1xcj n ALA 223 Cb 0.52 0.04 -0.03 0.00 0.00 0.00 0.00 19.45 19.98 1xcj n ALA 223 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1xcj s PHE 224 N -2.01 3.01 -0.43 0.00 5.36 -1.26 -4.70 117.98 117.95 1xcj s PHE 224 Ca -0.00 0.82 0.00 0.00 -0.96 0.00 0.00 56.93 56.79 1xcj s PHE 224 Cb 0.00 -3.90 0.00 0.00 -0.34 0.00 0.00 43.02 38.78 1xcj s PHE 224 CO 0.01 -3.11 0.77 -0.35 -1.46 0.00 0.00 175.22 171.07 1xcj n PRO 225 N 3.03 0.98 -3.87 10.12 -0.04 -1.26 -4.46 135.00 139.50 1xcj n PRO 225 Ca 0.10 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.45 1xcj n PRO 225 Cb 0.39 -1.21 -0.10 0.00 -0.04 0.00 0.00 33.50 32.54 1xcj n PRO 225 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1xcj s GLN 226 N -0.42 0.50 0.15 0.54 -0.21 -1.22 -1.69 119.66 117.31 1xcj s GLN 226 Ca 0.00 -0.42 0.09 0.00 0.02 0.00 0.00 55.36 55.06 1xcj s GLN 226 Cb 0.00 0.21 -0.04 0.00 1.00 0.00 0.00 33.01 34.18 1xcj s GLN 226 CO 0.00 -0.12 -0.21 -1.64 -2.12 0.00 0.00 175.29 171.20 1xcj s MET 227 N -1.45 1.30 -0.08 2.91 -1.94 -0.25 -4.83 119.30 114.95 1xcj s MET 227 Ca -0.14 -1.37 0.02 0.00 -1.71 0.00 0.00 55.69 52.49 1xcj s MET 227 Cb -0.07 -1.51 0.01 0.00 2.01 0.00 0.00 34.83 35.27 1xcj s MET 227 CO 0.01 0.33 -0.14 -1.50 -0.01 0.00 0.00 175.02 173.71 1xcj s ILE 228 N -1.66 1.32 -0.37 2.53 2.07 -1.26 -1.99 121.20 121.84 1xcj s ILE 228 Ca 0.14 -0.56 -0.12 0.00 -1.41 0.00 0.00 60.65 58.70 1xcj s ILE 228 Cb -0.08 -1.21 0.01 0.00 0.13 0.00 0.00 42.46 41.32 1xcj s ILE 228 CO 0.07 0.40 0.22 -0.89 -1.91 0.00 0.00 174.94 172.83 1xcj s THR 229 N 0.81 4.82 0.27 4.00 2.01 -0.45 -4.93 115.64 122.17 1xcj s THR 229 Ca -0.11 -0.65 -0.29 0.00 0.31 0.00 0.00 61.69 60.94 1xcj s THR 229 Cb -0.15 -3.62 -0.09 0.00 0.01 0.00 0.00 72.50 68.64 1xcj s THR 229 CO 0.02 -0.17 1.14 -2.84 -0.69 0.00 0.00 174.62 172.08 1xcj s PRO 230 N 1.61 4.59 -0.42 4.92 0.02 -1.26 -2.08 135.00 142.38 1xcj s PRO 230 Ca 0.04 1.86 0.02 0.00 0.02 0.00 0.00 61.00 62.94 1xcj s PRO 230 Cb -0.18 -3.19 0.12 0.00 0.02 0.00 0.00 34.50 31.27 1xcj s PRO 230 CO 0.08 0.12 0.19 -0.51 -0.33 0.00 0.00 177.00 176.55 1xcj s LEU 231 N -1.29 3.13 -0.19 -5.54 1.02 0.17 -4.43 118.68 111.54 1xcj s LEU 231 Ca 0.46 -2.45 -0.03 0.00 0.02 0.00 0.00 54.13 52.13 1xcj s LEU 231 Cb -0.33 -1.18 -0.01 0.00 0.02 0.00 0.00 46.19 44.69 1xcj s LEU 231 CO 0.42 -0.30 -0.06 -0.69 0.02 0.00 0.00 176.35 175.74 1xcj s VAL 232 N 0.55 3.43 0.36 -1.59 1.01 -0.39 0.07 120.40 123.84 1xcj s VAL 232 Ca 0.15 -0.49 0.04 0.00 0.00 0.00 0.00 61.98 61.69 1xcj s VAL 232 Cb -0.23 -2.53 -0.03 0.00 0.00 0.00 0.00 36.38 33.59 1xcj s VAL 232 CO -0.05 0.45 0.18 0.42 0.00 0.00 0.00 175.10 176.09 1xcj s THR 233 N 1.06 0.37 -0.21 3.92 -4.23 -0.33 0.71 115.64 116.93 1xcj s THR 233 Ca 0.01 -2.00 0.22 0.00 -1.18 0.00 0.00 61.69 58.74 1xcj s THR 233 Cb -0.15 -2.44 -0.24 0.00 1.34 0.00 0.00 72.50 71.02 1xcj s THR 233 CO -0.00 0.00 0.69 0.29 -0.54 0.00 0.00 174.62 175.05 1xcj n LYS 234 N -0.74 0.56 0.00 3.99 5.02 -1.26 -4.66 118.16 121.07 1xcj n LYS 234 Ca -0.00 -0.10 0.00 0.00 -2.02 0.00 0.00 58.31 56.19 1xcj n LYS 234 Cb 0.64 -1.59 0.00 0.00 -0.02 0.00 0.00 35.03 34.06 1xcj n LYS 234 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60