#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dvx n ALA 2 N 0.00 0.00 -3.72 -3.48 0.00 -1.26 -5.00 120.51 107.06 3dvx n ALA 2 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.24 3dvx n ALA 2 Cb 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.28 3dvx n ALA 2 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3dvx s LEU 3 N 0.00 0.67 -0.03 0.00 0.20 -1.26 -5.19 118.68 113.08 3dvx s LEU 3 Ca 0.00 -0.02 0.00 0.00 0.69 0.00 0.00 54.13 54.80 3dvx s LEU 3 Cb 0.00 -0.28 -0.04 0.00 -0.43 0.00 0.00 46.19 45.45 3dvx s LEU 3 CO 0.00 -0.18 0.02 0.42 -0.29 0.00 0.00 176.35 176.32 3dvx s THR 4 N 1.68 4.33 0.16 3.68 -4.23 -1.26 -5.04 115.64 114.96 3dvx s THR 4 Ca -0.00 -0.45 -0.29 0.00 -1.18 0.00 0.00 61.69 59.77 3dvx s THR 4 Cb -0.13 -2.90 -0.07 0.00 1.34 0.00 0.00 72.50 70.74 3dvx s THR 4 CO -0.03 0.44 0.92 -0.70 -0.54 0.00 0.00 174.62 174.71 3dvx s GLU 5 N -1.38 4.74 0.00 3.99 2.12 -1.26 -2.41 118.70 124.49 3dvx s GLU 5 Ca 0.18 1.41 0.00 0.00 0.36 0.00 0.00 54.97 56.92 3dvx s GLU 5 Cb -0.12 -3.32 0.00 0.00 0.26 0.00 0.00 34.13 30.95 3dvx s GLU 5 CO 0.08 0.38 0.00 0.41 -0.54 0.00 0.00 175.26 175.59 3dvx n GLY 6 N 1.88 1.56 0.27 -1.50 0.00 -0.35 -4.82 105.19 102.23 3dvx n GLY 6 Ca -0.01 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 3dvx n GLY 6 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3dvx n GLU 7 N -2.00 0.48 -0.01 1.61 2.13 -1.19 -4.82 120.64 116.84 3dvx n GLU 7 Ca 0.00 0.20 0.07 0.00 0.66 0.00 0.00 57.16 58.10 3dvx n GLU 7 Cb 0.00 -1.31 -0.11 0.00 0.27 0.00 0.00 31.44 30.29 3dvx n GLU 7 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 3dvx n ASP 8 N -4.14 1.35 -3.59 4.31 8.00 -1.01 -4.73 116.55 116.73 3dvx n ASP 8 Ca -0.34 -0.20 -0.07 0.00 0.71 0.00 0.00 54.79 54.90 3dvx n ASP 8 Cb 0.68 1.53 -0.02 0.00 -0.02 0.00 0.00 41.12 43.30 3dvx n ASP 8 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 3dvx s TYR 9 N -2.90 -0.27 -0.10 1.24 1.13 -1.26 -2.15 117.35 113.04 3dvx s TYR 9 Ca -0.03 0.07 0.02 0.00 -1.41 0.00 0.00 57.07 55.73 3dvx s TYR 9 Cb 0.10 0.58 0.01 0.00 -1.10 0.00 0.00 41.96 41.55 3dvx s TYR 9 CO 0.62 -0.66 -0.17 -0.51 -2.51 0.00 0.00 175.55 172.33 3dvx s LEU 10 N -2.66 1.81 -0.73 -3.49 1.43 0.40 -1.21 118.68 114.24 3dvx s LEU 10 Ca 0.07 -0.44 -0.26 0.00 -1.03 0.00 0.00 54.13 52.47 3dvx s LEU 10 Cb -0.01 -1.12 0.01 0.00 0.03 0.00 0.00 46.19 45.09 3dvx s LEU 10 CO -0.05 0.06 1.55 -0.69 0.23 0.00 0.00 176.35 177.44 3dvx s VAL 11 N 0.76 3.59 -0.02 -1.59 1.01 -1.26 -1.41 120.40 121.48 3dvx s VAL 11 Ca -0.11 0.19 -0.30 0.00 0.00 0.00 0.00 61.98 61.76 3dvx s VAL 11 Cb -0.16 -4.52 -0.07 0.00 0.00 0.00 0.00 36.38 31.64 3dvx s VAL 11 CO 0.02 -1.46 1.78 -1.48 0.00 0.00 0.00 175.10 173.96 3dvx s LEU 12 N 7.17 4.37 0.00 3.92 0.05 -0.33 -4.89 118.68 128.96 3dvx s LEU 12 Ca 0.50 2.41 0.00 0.00 0.05 0.00 0.00 54.13 57.09 3dvx s LEU 12 Cb -0.09 -3.53 0.00 0.00 -2.05 0.00 0.00 46.19 40.52 3dvx s LEU 12 CO 0.14 -0.98 0.00 -0.90 -0.55 0.00 0.00 176.35 174.06 3dvx n ASP 13 N 7.29 0.00 -4.10 1.48 5.75 -1.26 -3.47 116.55 122.24 3dvx n ASP 13 Ca 0.18 0.00 -0.33 0.00 -0.01 0.00 0.00 54.79 54.63 3dvx n ASP 13 Cb 0.42 0.00 -0.15 0.00 -1.03 0.00 0.00 41.12 40.37 3dvx n ASP 13 CO 0.00 0.00 0.00 -1.59 -0.11 0.00 0.00 177.20 175.50 3dvx s LYS 14 N -0.60 2.29 0.51 0.11 -2.85 -1.26 -5.11 119.74 112.83 3dvx s LYS 14 Ca 0.00 -1.34 -0.19 0.00 -1.00 0.00 0.00 55.97 53.44 3dvx s LYS 14 Cb 0.00 -3.00 -0.12 0.00 -2.06 0.00 0.00 37.83 32.65 3dvx s LYS 14 CO 0.00 -0.60 0.29 -2.30 0.10 0.00 0.00 175.35 172.84 3dvx n PRO 15 N 4.49 0.32 -3.23 1.78 -0.02 -1.23 -4.99 135.00 132.13 3dvx n PRO 15 Ca -0.13 0.12 -0.39 0.00 -2.02 0.00 0.00 63.50 61.08 3dvx n PRO 15 Cb 0.42 -1.39 -0.06 0.00 -0.02 0.00 0.00 33.50 32.46 3dvx n PRO 15 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3dvx s ILE 16 N -1.76 4.91 0.13 4.25 1.09 0.16 -5.00 121.20 124.98 3dvx s ILE 16 Ca 0.63 1.21 -0.30 0.00 -1.10 0.00 0.00 60.65 61.10 3dvx s ILE 16 Cb -0.51 -3.92 -0.06 0.00 -1.06 0.00 0.00 42.46 36.92 3dvx s ILE 16 CO 0.59 0.43 0.97 -2.16 -0.10 0.00 0.00 174.94 174.67 3dvx s PRO 17 N -0.25 4.72 1.29 2.79 0.05 -1.26 -4.27 135.00 138.07 3dvx s PRO 17 Ca 0.30 1.47 -0.20 0.00 0.05 0.00 0.00 61.00 62.62 3dvx s PRO 17 Cb -0.18 -3.36 0.32 0.00 0.05 0.00 0.00 34.50 31.33 3dvx s PRO 17 CO 0.17 0.25 1.02 -0.65 0.05 0.00 0.00 177.00 177.84 3dvx s GLN 18 N -0.18 -1.93 -0.04 4.56 -0.21 -1.26 -4.97 119.66 115.62 3dvx s GLN 18 Ca 0.46 0.11 0.12 0.00 0.02 0.00 0.00 55.36 56.07 3dvx s GLN 18 Cb -0.24 -1.50 0.34 0.00 1.00 0.00 0.00 33.01 32.62 3dvx s GLN 18 CO 0.30 -4.22 1.28 -0.85 -2.12 0.00 0.00 175.29 169.69 3dvx n GLU 19 N -5.15 2.88 -2.84 2.91 0.28 -1.26 -4.83 120.64 112.62 3dvx n GLU 19 Ca 0.12 -2.21 -0.02 0.00 -0.16 0.00 0.00 57.16 54.88 3dvx n GLU 19 Cb 0.59 -1.39 0.01 0.00 1.43 0.00 0.00 31.44 32.08 3dvx n GLU 19 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 177.13 176.32 3dvx s GLN 20 N -1.45 0.74 0.10 3.44 -0.21 -1.26 -5.12 119.66 115.90 3dvx s GLN 20 Ca 0.26 -0.59 -0.35 0.00 0.02 0.00 0.00 55.36 54.71 3dvx s GLN 20 Cb 0.17 0.00 -0.14 0.00 1.00 0.00 0.00 33.01 34.04 3dvx s GLN 20 CO 0.13 -0.95 1.57 0.43 -2.12 0.00 0.00 175.29 174.35 3dvx n SER 21 N 3.29 2.81 0.00 5.90 7.64 -1.26 -3.19 113.62 128.80 3dvx n SER 21 Ca 0.14 1.08 0.00 0.00 1.01 0.00 0.00 58.87 61.09 3dvx n SER 21 Cb 0.59 -1.36 0.00 0.00 -1.01 0.00 0.00 64.21 62.43 3dvx n SER 21 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3dvx n GLY 22 N 3.37 3.61 3.89 0.23 0.00 -1.26 -5.10 105.19 109.93 3dvx n GLY 22 Ca 0.18 -0.66 -0.21 0.00 0.00 0.00 0.00 46.02 45.34 3dvx n GLY 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dvx s LYS 23 N 0.00 2.87 -0.27 1.61 1.02 -1.19 -5.01 119.74 118.77 3dvx s LYS 23 Ca 0.00 -1.18 -0.26 0.00 0.02 0.00 0.00 55.97 54.54 3dvx s LYS 23 Cb 0.00 -2.58 0.00 0.00 -0.52 0.00 0.00 37.83 34.73 3dvx s LYS 23 CO 0.00 0.13 0.93 0.42 -0.92 0.00 0.00 175.35 175.91 3dvx s ILE 24 N -2.25 4.72 0.03 2.17 1.01 0.23 -4.93 121.20 122.19 3dvx s ILE 24 Ca 0.41 1.66 -0.24 0.00 0.00 0.00 0.00 60.65 62.48 3dvx s ILE 24 Cb -0.07 -4.24 -0.05 0.00 0.01 0.00 0.00 42.46 38.11 3dvx s ILE 24 CO 0.28 -0.22 0.74 -0.70 0.00 0.00 0.00 174.94 175.04 3dvx s GLU 25 N 3.13 4.47 -0.35 2.79 2.12 -1.26 -2.47 118.70 127.12 3dvx s GLU 25 Ca 0.39 1.01 -0.08 0.00 0.36 0.00 0.00 54.97 56.65 3dvx s GLU 25 Cb -0.14 -3.37 0.04 0.00 0.26 0.00 0.00 34.13 30.92 3dvx s GLU 25 CO 0.09 0.28 0.14 0.08 -0.54 0.00 0.00 175.26 175.31 3dvx s VAL 26 N -0.00 3.98 -0.07 3.70 1.01 -0.52 -0.16 120.40 128.35 3dvx s VAL 26 Ca 0.38 -1.10 0.00 0.00 0.00 0.00 0.00 61.98 61.26 3dvx s VAL 26 Cb -0.20 -3.26 -0.03 0.00 0.00 0.00 0.00 36.38 32.88 3dvx s VAL 26 CO 0.22 -0.22 -0.04 -0.22 0.00 0.00 0.00 175.10 174.84 3dvx s LEU 27 N 1.43 3.33 -0.10 3.92 2.96 -0.03 0.11 118.68 130.31 3dvx s LEU 27 Ca -0.00 0.03 -0.00 0.00 -0.22 0.00 0.00 54.13 53.93 3dvx s LEU 27 Cb -0.20 -1.76 0.02 0.00 0.50 0.00 0.00 46.19 44.76 3dvx s LEU 27 CO 0.04 0.36 -0.06 -0.70 -1.32 0.00 0.00 176.35 174.67 3dvx s GLU 28 N -0.91 1.26 0.00 1.98 2.12 -0.15 -1.56 118.70 121.45 3dvx s GLU 28 Ca 0.13 -0.16 -0.20 0.00 0.36 0.00 0.00 54.97 55.11 3dvx s GLU 28 Cb -0.11 -1.38 -0.06 0.00 0.26 0.00 0.00 34.13 32.85 3dvx s GLU 28 CO 0.02 -0.25 0.57 -0.06 -0.54 0.00 0.00 175.26 175.01 3dvx s PHE 29 N 1.68 3.70 0.21 5.30 0.08 -0.35 -0.28 117.98 128.32 3dvx s PHE 29 Ca 0.03 1.19 -0.01 0.00 0.12 0.00 0.00 56.93 58.26 3dvx s PHE 29 Cb -0.13 -2.57 0.01 0.00 -0.57 0.00 0.00 43.02 39.76 3dvx s PHE 29 CO -0.06 0.40 0.29 1.97 -0.10 0.00 0.00 175.22 177.72 3dvx n PHE 30 N 2.54 -1.06 -3.62 0.36 1.16 -0.53 -2.10 117.46 114.21 3dvx n PHE 30 Ca -0.08 -1.38 -0.15 0.00 -1.87 0.00 0.00 57.45 53.97 3dvx n PHE 30 Cb 0.51 0.33 -0.07 0.00 -1.61 0.00 0.00 39.48 38.64 3dvx n PHE 30 CO 0.00 0.00 0.00 0.20 -1.87 0.00 0.00 176.76 175.09 3dvx s GLY 31 N -2.28 -0.49 0.30 4.97 0.00 -1.26 -1.64 107.32 106.92 3dvx s GLY 31 Ca 0.17 1.52 0.25 0.00 0.00 0.00 0.00 44.72 46.66 3dvx s GLY 31 CO 0.12 1.24 1.75 -0.97 0.00 0.00 0.00 173.10 175.24 3dvx h TYR 32 N 4.32 0.00 -0.39 1.90 0.05 -1.96 -1.76 116.97 119.13 3dvx h TYR 32 Ca -0.28 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.50 3dvx h TYR 32 Cb 1.16 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.90 3dvx h TYR 32 CO 0.40 0.00 0.00 1.97 -1.05 0.00 0.00 178.16 179.48 3dvx n PHE 33 N -2.35 0.64 -3.78 4.88 1.16 -1.26 -3.49 117.46 113.26 3dvx n PHE 33 Ca 0.02 -0.29 -0.36 0.00 -1.87 0.00 0.00 57.45 54.94 3dvx n PHE 33 Cb 0.24 -0.05 -0.13 0.00 -1.61 0.00 0.00 39.48 37.93 3dvx n PHE 33 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 3dvx h VAL 35 N 5.59 1.03 -0.84 0.00 2.07 -1.89 0.54 116.25 122.75 3dvx h VAL 35 Ca -0.39 -0.25 0.10 0.00 0.82 0.00 0.00 66.70 66.98 3dvx h VAL 35 Cb 1.17 1.20 -0.07 0.00 -1.52 0.00 0.00 31.29 32.07 3dvx h VAL 35 CO 0.58 0.06 0.48 0.45 0.02 0.00 0.00 177.57 179.17 3dvx h HIS 36 N -0.17 0.87 0.42 1.57 3.86 -1.94 -0.50 115.15 119.26 3dvx h HIS 36 Ca -0.01 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.21 3dvx h HIS 36 Cb 0.15 -0.27 0.00 0.00 1.06 0.00 0.00 27.41 28.36 3dvx h HIS 36 CO -0.04 0.36 -0.22 0.00 0.86 0.00 0.00 177.93 178.89 3dvx h HIS 38 N -0.60 0.42 0.00 0.00 6.17 -0.09 0.23 115.15 121.29 3dvx h HIS 38 Ca -0.05 0.05 -0.21 0.00 0.71 0.00 0.00 60.37 60.86 3dvx h HIS 38 Cb 0.47 -0.05 -0.03 0.00 2.52 0.00 0.00 27.41 30.32 3dvx h HIS 38 CO -0.06 -0.13 -1.01 0.45 0.71 0.00 0.00 177.93 177.89 3dvx h HIS 39 N 0.28 0.01 0.08 5.26 3.86 -0.95 -3.32 115.15 120.37 3dvx h HIS 39 Ca 0.52 -0.00 -0.27 0.00 -1.16 0.00 0.00 60.37 59.46 3dvx h HIS 39 Cb 0.99 -0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.47 3dvx h HIS 39 CO -0.23 1.00 -1.14 0.35 0.86 0.00 0.00 177.93 178.78 3dvx h PHE 40 N 0.00 0.75 -0.87 2.45 3.57 0.25 -3.39 116.94 119.70 3dvx h PHE 40 Ca -0.02 -0.47 0.12 0.00 3.53 0.00 0.00 57.97 61.14 3dvx h PHE 40 Cb 1.78 -0.06 -0.13 0.00 2.79 0.00 0.00 35.95 40.32 3dvx h PHE 40 CO 0.00 1.32 -0.39 -3.47 -2.23 0.00 0.00 178.31 173.54 3dvx n ASP 41 N -3.72 -0.66 0.20 0.41 2.03 0.72 -1.11 116.55 114.42 3dvx n ASP 41 Ca -0.10 1.53 0.04 0.00 0.52 0.00 0.00 54.79 56.78 3dvx n ASP 41 Cb 0.94 -0.31 0.47 0.00 -0.72 0.00 0.00 41.12 41.50 3dvx n ASP 41 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3dvx h PRO 42 N 0.00 0.05 0.00 -0.67 0.11 -1.79 0.57 132.00 130.27 3dvx h PRO 42 Ca 0.26 -0.01 -0.11 0.00 0.11 0.00 0.00 66.00 66.25 3dvx h PRO 42 Cb 0.48 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 31.56 3dvx h PRO 42 CO -0.85 0.23 -0.51 -0.07 -0.21 0.00 0.00 178.00 176.59 3dvx h LEU 43 N 0.05 0.00 0.00 2.35 4.07 -1.36 -1.66 115.31 118.76 3dvx h LEU 43 Ca 0.01 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.96 3dvx h LEU 43 Cb 0.35 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.09 3dvx h LEU 43 CO 0.02 0.51 -0.09 0.25 -1.08 0.00 0.00 178.44 178.05 3dvx h LEU 44 N 0.00 0.00 -1.37 1.67 5.85 -0.02 -2.98 115.31 118.46 3dvx h LEU 44 Ca -0.01 -0.20 0.21 0.00 0.84 0.00 0.00 57.88 58.72 3dvx h LEU 44 Cb 0.98 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 41.93 3dvx h LEU 44 CO 0.07 0.65 0.61 -0.07 -0.34 0.00 0.00 178.44 179.36 3dvx h LEU 45 N -1.00 0.51 -0.95 2.25 3.38 -0.08 0.33 115.31 119.76 3dvx h LEU 45 Ca -0.01 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 3dvx h LEU 45 Cb 0.28 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 40.96 3dvx h LEU 45 CO -0.01 0.19 0.45 0.50 0.09 0.00 0.00 178.44 179.66 3dvx h LYS 46 N 0.50 1.20 0.11 1.13 3.64 -1.38 -2.49 116.57 119.28 3dvx h LYS 46 Ca 0.51 -0.15 -0.01 0.00 -1.27 0.00 0.00 60.65 59.74 3dvx h LYS 46 Cb 1.15 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 32.74 3dvx h LYS 46 CO -0.24 0.89 -0.05 1.25 -2.27 0.00 0.00 179.45 179.02 3dvx h LEU 47 N 1.20 -0.13 -0.98 5.20 5.85 -0.30 -2.88 115.31 123.27 3dvx h LEU 47 Ca 0.30 -0.19 0.15 0.00 0.84 0.00 0.00 57.88 58.98 3dvx h LEU 47 Cb 0.05 0.03 -0.16 0.00 0.37 0.00 0.00 40.66 40.96 3dvx h LEU 47 CO -0.05 0.12 -0.39 1.23 -0.34 0.00 0.00 178.44 179.01 3dvx h GLY 48 N -0.37 0.04 0.99 3.75 0.00 -0.46 0.20 103.07 107.22 3dvx h GLY 48 Ca -0.02 0.53 0.00 0.00 0.00 0.00 0.00 47.33 47.84 3dvx h GLY 48 CO 0.03 -0.20 0.23 0.50 0.00 0.00 0.00 176.54 177.10 3dvx h LYS 49 N -0.01 0.50 -0.79 4.80 1.57 -1.51 -2.86 116.57 118.27 3dvx h LYS 49 Ca 0.34 -0.04 0.08 0.00 -1.87 0.00 0.00 60.65 59.16 3dvx h LYS 49 Cb 0.59 -0.11 -0.05 0.00 0.08 0.00 0.00 32.23 32.74 3dvx h LYS 49 CO -0.98 0.36 0.52 0.00 -0.57 0.00 0.00 179.45 178.78 3dvx h ALA 50 N 1.11 1.70 -1.07 3.86 0.00 -0.51 -3.44 119.26 120.90 3dvx h ALA 50 Ca 0.13 -0.01 -0.77 0.00 0.00 0.00 0.00 54.91 54.26 3dvx h ALA 50 Cb -0.02 -0.19 0.05 0.00 0.00 0.00 0.00 17.79 17.63 3dvx h ALA 50 CO -0.03 0.15 0.07 1.28 0.00 0.00 0.00 179.25 180.72 3dvx n LEU 51 N -4.50 0.10 -4.50 0.00 4.32 0.37 -4.91 117.00 107.88 3dvx n LEU 51 Ca 0.13 1.15 -0.31 0.00 -0.02 0.00 0.00 56.01 56.96 3dvx n LEU 51 Cb 0.27 -0.95 0.19 0.00 -1.62 0.00 0.00 43.42 41.31 3dvx n LEU 51 CO 0.33 -1.88 0.29 -2.65 -1.22 0.00 0.00 177.39 172.25 3dvx n PRO 52 N 1.57 -1.27 -0.10 3.23 -0.02 -1.26 -4.86 135.00 132.28 3dvx n PRO 52 Ca 0.20 -0.33 0.13 0.00 -2.02 0.00 0.00 63.50 61.48 3dvx n PRO 52 Cb 0.10 -2.11 0.51 0.00 -0.02 0.00 0.00 33.50 31.99 3dvx n PRO 52 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3dvx h SER 53 N -2.13 0.35 0.00 2.55 4.64 -1.97 -1.12 113.55 115.88 3dvx h SER 53 Ca -0.51 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 3dvx h SER 53 Cb 1.31 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 3dvx h SER 53 CO 0.42 0.20 0.00 -0.90 -0.87 0.00 0.00 176.83 175.68 3dvx n ASP 54 N -4.47 0.03 -4.10 4.97 5.68 -1.26 -4.75 116.55 112.64 3dvx n ASP 54 Ca 0.11 -1.94 -0.08 0.00 -0.50 0.00 0.00 54.79 52.38 3dvx n ASP 54 Cb 0.43 -0.01 -0.10 0.00 -1.14 0.00 0.00 41.12 40.30 3dvx n ASP 54 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3dvx s ALA 55 N -1.97 0.62 0.03 2.12 0.00 -0.42 0.78 121.76 122.92 3dvx s ALA 55 Ca 0.00 -1.29 -0.28 0.00 0.00 0.00 0.00 51.96 50.39 3dvx s ALA 55 Cb 0.00 0.57 0.07 0.00 0.00 0.00 0.00 23.12 23.76 3dvx s ALA 55 CO 0.00 -0.44 0.65 1.52 0.00 0.00 0.00 175.76 177.49 3dvx s TYR 56 N -3.98 -0.61 -0.39 0.00 -0.85 -1.03 -4.63 117.35 105.87 3dvx s TYR 56 Ca 0.15 0.80 -0.15 0.00 -0.52 0.00 0.00 57.07 57.35 3dvx s TYR 56 Cb 0.07 0.47 0.01 0.00 0.38 0.00 0.00 41.96 42.89 3dvx s TYR 56 CO -0.04 -0.70 0.32 -1.17 -1.52 0.00 0.00 175.55 172.43 3dvx s LEU 57 N -1.82 4.84 0.04 -3.49 2.96 -1.26 -1.43 118.68 118.51 3dvx s LEU 57 Ca -0.06 -0.66 -0.06 0.00 -0.22 0.00 0.00 54.13 53.13 3dvx s LEU 57 Cb -0.00 -2.22 -0.05 0.00 0.50 0.00 0.00 46.19 44.42 3dvx s LEU 57 CO 0.01 -0.41 0.29 -0.60 -1.32 0.00 0.00 176.35 174.31 3dvx s ARG 58 N 1.82 3.58 -0.04 1.98 3.52 0.12 -4.99 118.95 124.93 3dvx s ARG 58 Ca 0.07 -0.10 -0.03 0.00 -0.13 0.00 0.00 55.73 55.54 3dvx s ARG 58 Cb -0.18 -3.04 0.01 0.00 -1.56 0.00 0.00 34.95 30.19 3dvx s ARG 58 CO 0.11 0.61 0.10 0.95 -0.81 0.00 0.00 175.30 176.27 3dvx s THR 59 N -1.38 -0.01 -0.00 4.11 -4.23 -1.26 -0.97 115.64 111.90 3dvx s THR 59 Ca 0.30 0.03 0.00 0.00 -1.18 0.00 0.00 61.69 60.85 3dvx s THR 59 Cb -0.13 -0.16 0.00 0.00 1.34 0.00 0.00 72.50 73.55 3dvx s THR 59 CO 0.19 0.01 -0.00 -1.61 -0.54 0.00 0.00 174.62 172.66 3dvx s GLU 60 N 0.22 0.06 -0.70 3.99 0.41 0.62 -4.92 118.70 118.38 3dvx s GLU 60 Ca -0.01 -0.01 -0.14 0.00 -0.41 0.00 0.00 54.97 54.40 3dvx s GLU 60 Cb -0.02 -0.09 0.18 0.00 -1.78 0.00 0.00 34.13 32.42 3dvx s GLU 60 CO -0.01 -0.00 0.64 -1.58 -0.49 0.00 0.00 175.26 173.82 3dvx s HIS 61 N 0.09 3.54 0.08 1.61 5.65 -1.26 -1.46 115.29 123.55 3dvx s HIS 61 Ca -0.01 -1.75 -0.18 0.00 0.25 0.00 0.00 55.06 53.37 3dvx s HIS 61 Cb -0.02 -3.78 -0.10 0.00 -1.18 0.00 0.00 32.58 27.50 3dvx s HIS 61 CO -0.00 -1.00 0.40 1.33 -0.65 0.00 0.00 174.74 174.82 3dvx n VAL 62 N 4.48 0.83 -5.06 0.89 0.24 -0.65 -4.67 118.33 114.38 3dvx n VAL 62 Ca 0.02 -0.21 -0.32 0.00 -2.04 0.00 0.00 64.34 61.79 3dvx n VAL 62 Cb 0.44 0.00 -0.16 0.00 -1.47 0.00 0.00 33.84 32.65 3dvx n VAL 62 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 3dvx s VAL 63 N -0.41 2.47 0.00 3.34 1.01 -1.26 -4.88 120.40 120.66 3dvx s VAL 63 Ca 0.42 -0.89 0.00 0.00 0.00 0.00 0.00 61.98 61.51 3dvx s VAL 63 Cb -0.60 -1.97 0.00 0.00 0.00 0.00 0.00 36.38 33.82 3dvx s VAL 63 CO 0.33 0.56 0.00 0.79 0.00 0.00 0.00 175.10 176.77 3dvx n TRP 64 N 3.21 0.00 -4.23 5.22 8.01 -1.26 -4.67 117.44 123.72 3dvx n TRP 64 Ca -0.18 0.00 -0.32 0.00 -1.31 0.00 0.00 57.50 55.69 3dvx n TRP 64 Cb 0.53 0.00 -0.16 0.00 -2.01 0.00 0.00 31.31 29.66 3dvx n TRP 64 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 177.69 177.82 3dvx s GLN 65 N -1.28 2.71 0.00 -0.99 -2.07 -1.26 -5.00 119.66 111.78 3dvx s GLN 65 Ca 0.00 -0.73 0.00 0.00 -1.82 0.00 0.00 55.36 52.81 3dvx s GLN 65 Cb 0.00 -2.34 0.00 0.00 -1.09 0.00 0.00 33.01 29.58 3dvx s GLN 65 CO 0.00 -0.17 0.10 -2.30 -1.32 0.00 0.00 175.29 171.60 3dvx n PRO 66 N 4.52 0.00 -2.95 9.60 -0.02 -1.26 -4.15 135.00 140.73 3dvx n PRO 66 Ca -0.19 0.00 -0.33 0.00 -2.02 0.00 0.00 63.50 60.96 3dvx n PRO 66 Cb 0.50 -1.58 -0.02 0.00 -0.02 0.00 0.00 33.50 32.38 3dvx n PRO 66 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3dvx n GLU 67 N -0.59 3.88 0.00 -0.52 1.02 -1.26 -4.92 120.64 118.25 3dvx n GLU 67 Ca 0.00 -4.74 0.00 0.00 -0.02 0.00 0.00 57.16 52.40 3dvx n GLU 67 Cb 0.10 -2.34 0.00 0.00 -0.02 0.00 0.00 31.44 29.18 3dvx n GLU 67 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3dvx n LEU 69 N 0.19 0.00 -0.33 -4.62 4.77 -1.26 -4.82 117.00 110.94 3dvx n LEU 69 Ca 0.35 0.00 0.08 0.00 -0.03 0.00 0.00 56.01 56.41 3dvx n LEU 69 Cb 0.35 0.00 0.17 0.00 -2.33 0.00 0.00 43.42 41.62 3dvx n LEU 69 CO 0.45 0.00 0.65 0.61 -1.33 0.00 0.00 177.39 177.77 3dvx n GLY 70 N 0.00 -1.45 0.26 -0.72 0.00 -1.26 0.56 105.19 102.58 3dvx n GLY 70 Ca 0.00 0.96 -0.10 0.00 0.00 0.00 0.00 46.02 46.88 3dvx n GLY 70 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3dvx h LEU 71 N 0.00 0.87 -1.33 0.99 3.38 -1.80 -2.78 115.31 114.64 3dvx h LEU 71 Ca 0.48 -0.35 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 3dvx h LEU 71 Cb 0.83 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 3dvx h LEU 71 CO -0.92 1.10 0.18 0.00 0.09 0.00 0.00 178.44 178.89 3dvx h ALA 72 N 0.95 1.48 0.00 1.53 0.00 -0.16 0.61 119.26 123.67 3dvx h ALA 72 Ca 0.08 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3dvx h ALA 72 Cb 0.84 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.44 3dvx h ALA 72 CO 0.07 0.41 0.00 -2.13 0.00 0.00 0.00 179.25 177.60 3dvx n ARG 73 N -4.37 0.37 0.00 0.00 0.63 0.11 0.16 116.66 113.55 3dvx n ARG 73 Ca 0.03 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.96 3dvx n ARG 73 Cb 0.15 -1.32 0.00 0.00 0.45 0.00 0.00 32.46 31.74 3dvx n ARG 73 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3dvx n ALA 75 N 0.81 0.00 0.19 5.13 0.00 0.21 0.78 120.51 127.63 3dvx n ALA 75 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.28 3dvx n ALA 75 Cb 0.18 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.55 3dvx n ALA 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dvx h ALA 76 N 0.00 -0.82 0.14 0.00 0.00 -0.55 -1.26 119.26 116.76 3dvx h ALA 76 Ca 0.00 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.81 3dvx h ALA 76 Cb 0.00 0.63 -0.05 0.00 0.00 0.00 0.00 17.79 18.37 3dvx h ALA 76 CO 0.00 -1.01 -0.48 0.00 0.00 0.00 0.00 179.25 177.76 3dvx h ALA 77 N -0.34 -0.88 -0.78 0.00 0.00 0.11 0.26 119.26 117.64 3dvx h ALA 77 Ca -0.01 -0.10 0.17 0.00 0.00 0.00 0.00 54.91 54.97 3dvx h ALA 77 Cb 0.71 0.80 -0.11 0.00 0.00 0.00 0.00 17.79 19.19 3dvx h ALA 77 CO -0.14 -1.06 0.26 0.28 0.00 0.00 0.00 179.25 178.59 3dvx h VAL 78 N -0.72 0.55 0.32 0.00 2.07 -1.78 0.97 116.25 117.66 3dvx h VAL 78 Ca 0.01 -0.12 -0.02 0.00 0.82 0.00 0.00 66.70 67.39 3dvx h VAL 78 Cb 0.73 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.67 3dvx h VAL 78 CO -0.26 0.06 -0.15 -1.13 0.02 0.00 0.00 177.57 176.11 3dvx h ASN 79 N 0.35 -0.37 -0.64 0.57 -0.00 -0.65 -2.29 115.58 112.55 3dvx h ASN 79 Ca 0.45 -0.18 0.07 0.00 -0.00 0.00 0.00 56.30 56.64 3dvx h ASN 79 Cb 0.76 0.09 -0.06 0.00 -0.00 0.00 0.00 38.32 39.12 3dvx h ASN 79 CO -0.48 0.03 0.32 -0.07 -0.00 0.00 0.00 177.43 177.22 3dvx h LEU 80 N -0.83 0.44 0.00 0.34 4.07 -0.01 -1.42 115.31 117.90 3dvx h LEU 80 Ca -0.04 0.05 0.00 0.00 0.08 0.00 0.00 57.88 57.96 3dvx h LEU 80 Cb 0.52 -0.03 0.00 0.00 1.08 0.00 0.00 40.66 42.23 3dvx h LEU 80 CO 0.07 0.28 0.00 -1.54 -1.08 0.00 0.00 178.44 176.17 3dvx n SER 81 N -4.86 0.00 0.00 -0.43 3.41 0.33 -4.83 113.62 107.24 3dvx n SER 81 Ca 0.08 0.36 0.00 0.00 -0.26 0.00 0.00 58.87 59.05 3dvx n SER 81 Cb 0.21 -0.41 0.00 0.00 -0.26 0.00 0.00 64.21 63.75 3dvx n SER 81 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3dvx n GLY 82 N -0.47 0.41 1.58 5.00 0.00 -0.54 -4.89 105.19 106.28 3dvx n GLY 82 Ca 0.03 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.13 3dvx n GLY 82 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3dvx n LEU 83 N 0.00 4.70 0.05 0.99 4.77 -0.89 -4.61 117.00 122.01 3dvx n LEU 83 Ca 0.00 -2.38 0.05 0.00 -0.03 0.00 0.00 56.01 53.66 3dvx n LEU 83 Cb 0.13 -0.59 0.48 0.00 -2.33 0.00 0.00 43.42 41.11 3dvx n LEU 83 CO 0.00 0.71 1.14 0.50 -1.33 0.00 0.00 177.39 178.42 3dvx h LYS 84 N 3.77 0.41 0.00 3.23 3.64 -1.88 0.79 116.57 126.54 3dvx h LYS 84 Ca 0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 3dvx h LYS 84 Cb 1.50 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 33.23 3dvx h LYS 84 CO 0.28 0.27 0.00 1.88 -2.27 0.00 0.00 179.45 179.62 3dvx h TYR 85 N 0.43 0.00 0.00 1.91 0.05 -1.93 -2.70 116.97 114.72 3dvx h TYR 85 Ca 0.12 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.88 3dvx h TYR 85 Cb -0.02 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.71 3dvx h TYR 85 CO -0.00 0.00 -1.11 1.04 -1.05 0.00 0.00 178.16 177.04 3dvx n GLN 86 N -2.76 2.96 0.09 4.88 6.02 -0.23 -4.67 117.38 123.67 3dvx n GLN 86 Ca 0.01 -0.00 -0.20 0.00 -0.01 0.00 0.00 57.00 56.80 3dvx n GLN 86 Cb 0.28 -1.04 -0.15 0.00 1.02 0.00 0.00 30.24 30.35 3dvx n GLN 86 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3dvx h ALA 87 N 0.10 0.12 -0.19 -1.58 0.00 0.42 -3.42 119.26 114.71 3dvx h ALA 87 Ca -0.04 -1.02 0.02 0.00 0.00 0.00 0.00 54.91 53.87 3dvx h ALA 87 Cb 0.89 0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.89 3dvx h ALA 87 CO 0.00 0.99 -0.21 -0.91 0.00 0.00 0.00 179.25 179.12 3dvx h ASN 88 N 0.10 -0.70 -0.62 0.00 4.21 -1.65 0.39 115.58 117.31 3dvx h ASN 88 Ca -0.25 0.10 0.09 0.00 1.21 0.00 0.00 56.30 57.45 3dvx h ASN 88 Cb 2.06 0.29 -0.07 0.00 -1.12 0.00 0.00 38.32 39.48 3dvx h ASN 88 CO 0.20 -0.13 0.24 -0.65 -1.29 0.00 0.00 177.43 175.80 3dvx h PRO 89 N -0.12 0.42 -0.73 0.81 0.11 -1.84 0.15 132.00 130.80 3dvx h PRO 89 Ca 0.03 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 66.07 3dvx h PRO 89 Cb 0.20 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 31.18 3dvx h PRO 89 CO -0.24 0.28 0.29 0.00 -0.21 0.00 0.00 178.00 178.12 3dvx h ALA 90 N 1.42 1.13 -0.21 -0.75 0.00 -1.59 0.44 119.26 119.70 3dvx h ALA 90 Ca 0.31 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 3dvx h ALA 90 Cb 0.37 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3dvx h ALA 90 CO -0.30 0.62 -0.03 0.28 0.00 0.00 0.00 179.25 179.83 3dvx h VAL 91 N 1.07 1.27 0.25 0.00 2.07 0.16 -2.25 116.25 118.82 3dvx h VAL 91 Ca 0.25 -0.96 0.00 0.00 0.82 0.00 0.00 66.70 66.81 3dvx h VAL 91 Cb 0.20 1.49 -0.02 0.00 -1.52 0.00 0.00 31.29 31.45 3dvx h VAL 91 CO -0.02 0.29 -0.24 -0.26 0.02 0.00 0.00 177.57 177.36 3dvx h PHE 92 N 0.12 -0.65 -0.75 1.57 0.04 -0.60 -1.98 116.94 114.69 3dvx h PHE 92 Ca 0.06 0.00 0.18 0.00 2.80 0.00 0.00 57.97 61.01 3dvx h PHE 92 Cb 0.45 0.25 -0.04 0.00 2.20 0.00 0.00 35.95 38.81 3dvx h PHE 92 CO 0.04 -0.36 0.52 -0.22 -0.60 0.00 0.00 178.31 177.69 3dvx h LYS 93 N -0.53 0.21 0.09 1.51 3.64 -0.86 0.27 116.57 120.91 3dvx h LYS 93 Ca -0.01 -0.01 -0.29 0.00 -1.27 0.00 0.00 60.65 59.07 3dvx h LYS 93 Cb 0.49 -0.05 0.03 0.00 -0.41 0.00 0.00 32.23 32.28 3dvx h LYS 93 CO -0.05 0.14 -1.19 0.00 -2.27 0.00 0.00 179.45 176.08 3dvx h ALA 94 N 1.64 0.04 0.13 5.00 0.00 -0.98 -0.44 119.26 124.66 3dvx h ALA 94 Ca 0.37 -0.76 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 3dvx h ALA 94 Cb 1.13 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3dvx h ALA 94 CO -0.08 0.70 -0.06 0.28 0.00 0.00 0.00 179.25 180.09 3dvx h VAL 95 N 0.30 0.00 0.00 0.00 2.07 -0.53 0.16 116.25 118.26 3dvx h VAL 95 Ca -0.17 -0.67 -0.00 0.00 0.82 0.00 0.00 66.70 66.67 3dvx h VAL 95 Cb 1.86 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.63 3dvx h VAL 95 CO 0.23 0.00 -0.00 0.22 0.02 0.00 0.00 177.57 178.04 3dvx h TYR 96 N -0.85 -0.00 0.05 1.57 3.20 -1.02 -2.57 116.97 117.35 3dvx h TYR 96 Ca -0.02 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.85 3dvx h TYR 96 Cb 0.13 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.40 3dvx h TYR 96 CO 0.01 0.68 -0.03 0.93 -1.64 0.00 0.00 178.16 178.11 3dvx h GLU 97 N -0.69 -0.07 -0.00 1.82 5.08 -1.59 -3.39 114.58 115.74 3dvx h GLU 97 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3dvx h GLU 97 Cb 0.68 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.95 3dvx h GLU 97 CO 0.00 0.50 -0.52 1.04 -1.00 0.00 0.00 179.01 179.03 3dvx n GLN 98 N -4.76 0.20 -1.80 2.33 6.02 -0.21 -4.95 117.38 114.20 3dvx n GLN 98 Ca -0.07 -0.13 -0.15 0.00 -0.01 0.00 0.00 57.00 56.64 3dvx n GLN 98 Cb 0.29 -1.50 -0.04 0.00 1.02 0.00 0.00 30.24 30.02 3dvx n GLN 98 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3dvx n LYS 99 N -1.29 -1.12 -2.57 -1.09 5.02 -0.50 -4.95 118.16 111.66 3dvx n LYS 99 Ca 0.07 0.90 -0.41 0.00 -2.02 0.00 0.00 58.31 56.85 3dvx n LYS 99 Cb 0.34 -5.13 -0.04 0.00 -0.02 0.00 0.00 35.03 30.19 3dvx n LYS 99 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3dvx s ILE 100 N -2.64 4.22 -1.00 -0.18 1.01 0.46 -4.95 121.20 118.12 3dvx s ILE 100 Ca 0.00 1.74 -0.15 0.00 0.00 0.00 0.00 60.65 62.25 3dvx s ILE 100 Cb 0.00 -4.12 0.19 0.00 0.01 0.00 0.00 42.46 38.55 3dvx s ILE 100 CO 0.00 0.22 1.09 -0.13 0.00 0.00 0.00 174.94 176.12 3dvx s ARG 101 N 0.33 3.82 0.00 2.79 0.52 -1.26 -4.32 118.95 120.84 3dvx s ARG 101 Ca 0.52 -2.41 0.31 0.00 -0.52 0.00 0.00 55.73 53.62 3dvx s ARG 101 Cb -0.27 -4.74 1.70 0.00 0.52 0.00 0.00 34.95 32.16 3dvx s ARG 101 CO 0.31 -1.53 2.11 1.28 0.02 0.00 0.00 175.30 177.48 3dvx n LEU 102 N 4.90 0.30 -0.32 2.53 4.77 -1.26 -2.05 117.00 125.87 3dvx n LEU 102 Ca 0.24 -0.10 0.05 0.00 -0.03 0.00 0.00 56.01 56.16 3dvx n LEU 102 Cb 0.45 -0.00 0.20 0.00 -2.33 0.00 0.00 43.42 41.74 3dvx n LEU 102 CO 0.47 0.05 1.17 -0.33 -1.33 0.00 0.00 177.39 177.42 3dvx h GLU 103 N 0.47 0.81 -5.43 3.23 5.08 -1.85 -3.38 114.58 113.52 3dvx h GLU 103 Ca 0.00 -0.05 -0.61 0.00 -1.00 0.00 0.00 59.36 57.70 3dvx h GLU 103 Cb 0.10 -0.18 -0.12 0.00 0.50 0.00 0.00 28.75 29.05 3dvx h GLU 103 CO 0.00 0.54 -0.06 1.21 -1.00 0.00 0.00 179.01 179.69 3dvx s ASN 104 N -5.61 6.48 0.14 1.42 3.84 -0.87 -4.18 114.94 116.15 3dvx s ASN 104 Ca -0.12 0.57 -0.20 0.00 0.21 0.00 0.00 52.86 53.32 3dvx s ASN 104 Cb 0.21 -2.27 -0.00 0.00 -0.55 0.00 0.00 41.25 38.63 3dvx s ASN 104 CO 0.79 -0.21 1.68 -0.09 -2.79 0.00 0.00 177.10 176.49 3dvx h ARG 105 N 7.70 -0.06 -0.20 0.43 2.43 -1.85 -1.77 114.38 121.06 3dvx h ARG 105 Ca -0.32 0.00 0.03 0.00 -0.81 0.00 0.00 59.98 58.88 3dvx h ARG 105 Cb 1.15 0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 30.67 3dvx h ARG 105 CO 0.72 -0.04 -0.33 0.66 -1.51 0.00 0.00 179.97 179.47 3dvx h SER 106 N -0.06 -1.09 -0.63 -3.80 4.64 -1.94 -1.05 113.55 109.61 3dvx h SER 106 Ca 0.11 0.14 0.12 0.00 -0.47 0.00 0.00 61.79 61.70 3dvx h SER 106 Cb 0.23 0.44 -0.12 0.00 -0.31 0.00 0.00 62.40 62.65 3dvx h SER 106 CO -0.26 -0.25 -0.24 0.58 -0.87 0.00 0.00 176.83 175.79 3dvx h VAL 107 N -0.27 0.26 -0.57 0.95 2.07 -1.75 -0.80 116.25 116.15 3dvx h VAL 107 Ca 0.04 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.67 3dvx h VAL 107 Cb 0.37 0.26 -0.10 0.00 -1.52 0.00 0.00 31.29 30.30 3dvx h VAL 107 CO -0.33 0.00 -0.08 0.00 0.02 0.00 0.00 177.57 177.18 3dvx h ALA 108 N 1.37 0.46 0.51 1.67 0.00 -0.52 0.23 119.26 122.98 3dvx h ALA 108 Ca 0.28 0.20 -0.03 0.00 0.00 0.00 0.00 54.91 55.37 3dvx h ALA 108 Cb 0.52 0.37 0.01 0.00 0.00 0.00 0.00 17.79 18.69 3dvx h ALA 108 CO -0.68 -0.42 -0.25 0.78 0.00 0.00 0.00 179.25 178.69 3dvx h GLY 109 N 0.05 -0.72 2.00 0.00 0.00 0.08 0.53 103.07 105.01 3dvx h GLY 109 Ca 0.28 0.27 -0.00 0.00 0.00 0.00 0.00 47.33 47.88 3dvx h GLY 109 CO -0.54 -0.26 -0.00 1.70 0.00 0.00 0.00 176.54 177.44 3dvx h LYS 110 N -0.83 0.00 0.06 4.80 3.64 -1.07 -0.54 116.57 122.63 3dvx h LYS 110 Ca -0.07 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.31 3dvx h LYS 110 Cb 0.59 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.41 3dvx h LYS 110 CO 0.12 0.00 -0.03 2.35 -2.27 0.00 0.00 179.45 179.61 3dvx h TRP 111 N 0.00 -0.08 -0.78 1.91 7.01 -0.21 -3.10 115.95 120.71 3dvx h TRP 111 Ca -0.00 -0.00 0.18 0.00 2.11 0.00 0.00 58.89 61.18 3dvx h TRP 111 Cb 0.00 0.03 -0.13 0.00 -2.10 0.00 0.00 29.16 26.96 3dvx h TRP 111 CO 0.00 0.36 0.12 0.00 -2.79 0.00 0.00 178.44 176.14 3dvx h ALA 112 N -0.50 0.96 -0.02 2.65 0.00 0.12 0.29 119.26 122.77 3dvx h ALA 112 Ca -0.01 0.21 -0.13 0.00 0.00 0.00 0.00 54.91 54.98 3dvx h ALA 112 Cb 0.48 0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 3dvx h ALA 112 CO 0.01 -0.40 -0.59 -0.07 0.00 0.00 0.00 179.25 178.20 3dvx h LEU 113 N 0.19 0.06 -1.26 0.00 3.38 -1.30 -2.99 115.31 113.39 3dvx h LEU 113 Ca 0.45 -0.04 -0.08 0.00 0.09 0.00 0.00 57.88 58.30 3dvx h LEU 113 Cb 0.81 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 3dvx h LEU 113 CO -0.61 0.64 -0.36 0.77 0.09 0.00 0.00 178.44 178.97 3dvx h SER 114 N 0.04 0.00 -3.72 -0.43 4.64 -0.37 -3.45 113.55 110.26 3dvx h SER 114 Ca -0.01 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.78 3dvx h SER 114 Cb 1.05 0.00 0.21 0.00 -0.31 0.00 0.00 62.40 63.34 3dvx h SER 114 CO 0.08 0.36 -0.25 0.00 -0.87 0.00 0.00 176.83 176.16 3dvx n GLN 115 N -4.00 -0.26 -0.03 4.77 1.13 -0.65 -4.95 117.38 113.38 3dvx n GLN 115 Ca -0.02 -0.02 0.00 0.00 -1.94 0.00 0.00 57.00 55.02 3dvx n GLN 115 Cb 0.41 -2.06 0.00 0.00 0.11 0.00 0.00 30.24 28.70 3dvx n GLN 115 CO 0.00 0.00 0.00 0.36 -1.44 0.00 0.00 177.06 175.98 3dvx n LYS 116 N -2.52 0.27 0.00 -1.09 0.00 -1.26 -4.82 118.16 108.74 3dvx n LYS 116 Ca 0.09 -0.62 0.02 0.00 -0.00 0.00 0.00 58.31 57.80 3dvx n LYS 116 Cb 0.53 -0.55 0.01 0.00 -0.00 0.00 0.00 35.03 35.01 3dvx n LYS 116 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3dvx n GLY 117 N -0.05 -0.58 3.64 2.58 0.00 -1.26 -5.04 105.19 104.47 3dvx n GLY 117 Ca 0.00 -0.11 -0.02 0.00 0.00 0.00 0.00 46.02 45.89 3dvx n GLY 117 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3dvx s PHE 118 N -0.62 -0.12 0.00 1.61 -0.71 -1.26 -4.95 117.98 111.92 3dvx s PHE 118 Ca 0.04 -0.03 0.00 0.00 -1.04 0.00 0.00 56.93 55.90 3dvx s PHE 118 Cb 0.03 0.57 0.00 0.00 -1.21 0.00 0.00 43.02 42.41 3dvx s PHE 118 CO 0.08 -0.45 0.39 -3.47 -1.34 0.00 0.00 175.22 170.43 3dvx n ASP 119 N -0.38 0.00 0.00 1.98 4.64 -1.26 -4.80 116.55 116.74 3dvx n ASP 119 Ca -0.06 0.39 0.00 0.00 -1.38 0.00 0.00 54.79 53.74 3dvx n ASP 119 Cb 0.61 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.69 3dvx n ASP 119 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3dvx n GLY 120 N -0.59 3.01 0.07 0.27 0.00 -1.26 -4.61 105.19 102.08 3dvx n GLY 120 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 3dvx n GLY 120 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3dvx h LYS 121 N 1.29 0.09 0.00 1.61 1.63 -1.87 -3.31 116.57 116.02 3dvx h LYS 121 Ca 0.00 -0.04 0.02 0.00 -0.85 0.00 0.00 60.65 59.77 3dvx h LYS 121 Cb 0.00 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 31.61 3dvx h LYS 121 CO 0.00 0.54 -0.10 0.87 -3.45 0.00 0.00 179.45 177.31 3dvx h LYS 122 N -0.36 -0.17 0.00 1.90 1.57 -1.97 -1.92 116.57 115.63 3dvx h LYS 122 Ca 0.01 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 3dvx h LYS 122 Cb 0.52 0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.87 3dvx h LYS 122 CO 0.01 -0.11 0.00 -0.11 -0.57 0.00 0.00 179.45 178.67 3dvx n LEU 123 N -5.23 0.00 0.00 2.94 7.94 -1.24 -0.64 117.00 120.77 3dvx n LEU 123 Ca -0.06 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.84 3dvx n LEU 123 Cb 0.15 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.10 3dvx n LEU 123 CO 0.28 0.00 0.00 0.54 -1.11 0.00 0.00 177.39 177.10 3dvx n ARG 125 N 0.29 0.00 -0.24 1.96 1.74 -0.72 0.11 116.66 119.80 3dvx n ARG 125 Ca 0.00 0.00 0.03 0.00 -0.77 0.00 0.00 57.85 57.11 3dvx n ARG 125 Cb 0.00 0.00 0.15 0.00 -1.02 0.00 0.00 32.46 31.59 3dvx n ARG 125 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3dvx h ALA 126 N 0.00 0.97 -0.50 7.54 0.00 -1.16 -2.18 119.26 123.93 3dvx h ALA 126 Ca 0.00 0.09 0.09 0.00 0.00 0.00 0.00 54.91 55.09 3dvx h ALA 126 Cb 0.00 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 17.76 3dvx h ALA 126 CO 0.00 -0.16 0.08 -0.92 0.00 0.00 0.00 179.25 178.26 3dvx h TYR 127 N 0.48 0.13 -0.03 0.00 3.20 0.61 -0.73 116.97 120.63 3dvx h TYR 127 Ca 0.37 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.27 3dvx h TYR 127 Cb 0.49 0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.78 3dvx h TYR 127 CO -0.15 -0.03 0.00 -0.25 -1.64 0.00 0.00 178.16 176.09 3dvx n ASP 128 N -5.13 0.27 -4.89 -2.11 8.00 -0.83 -4.48 116.55 107.37 3dvx n ASP 128 Ca 0.06 -2.00 -0.29 0.00 0.71 0.00 0.00 54.79 53.27 3dvx n ASP 128 Cb 0.25 -0.07 -0.01 0.00 -0.02 0.00 0.00 41.12 41.28 3dvx n ASP 128 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3dvx s SER 129 N -0.91 6.35 0.39 -2.24 1.04 -0.28 -4.98 113.70 113.07 3dvx s SER 129 Ca 0.02 1.05 0.19 0.00 0.48 0.00 0.00 55.95 57.69 3dvx s SER 129 Cb 0.01 -2.30 0.76 0.00 0.10 0.00 0.00 66.02 64.59 3dvx s SER 129 CO 0.01 -0.54 1.77 1.55 0.98 0.00 0.00 173.24 177.02 3dvx h PRO 130 N 0.55 0.00 0.48 4.02 0.13 -1.90 -2.24 132.00 133.05 3dvx h PRO 130 Ca -0.47 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.64 3dvx h PRO 130 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 3dvx h PRO 130 CO 0.62 0.35 -0.24 0.93 -0.23 0.00 0.00 178.00 179.44 3dvx h GLU 131 N 0.00 -0.63 0.07 0.86 3.07 -1.93 -2.35 114.58 113.66 3dvx h GLU 131 Ca -0.00 0.04 0.01 0.00 -0.50 0.00 0.00 59.36 58.91 3dvx h GLU 131 Cb 0.82 0.14 -0.05 0.00 -0.84 0.00 0.00 28.75 28.83 3dvx h GLU 131 CO 0.05 -0.42 -0.50 0.00 -1.40 0.00 0.00 179.01 176.73 3dvx h ALA 132 N -0.14 -0.96 -0.41 3.43 0.00 -1.64 0.22 119.26 119.77 3dvx h ALA 132 Ca -0.07 -0.10 0.12 0.00 0.00 0.00 0.00 54.91 54.87 3dvx h ALA 132 Cb 0.51 0.89 -0.02 0.00 0.00 0.00 0.00 17.79 19.18 3dvx h ALA 132 CO 0.10 -1.09 0.40 0.00 0.00 0.00 0.00 179.25 178.66 3dvx h ALA 133 N -0.57 2.15 0.22 0.00 0.00 -1.47 -0.21 119.26 119.37 3dvx h ALA 133 Ca -0.00 -0.01 -0.32 0.00 0.00 0.00 0.00 54.91 54.57 3dvx h ALA 133 Cb 0.70 0.03 0.03 0.00 0.00 0.00 0.00 17.79 18.55 3dvx h ALA 133 CO -0.29 -0.61 -1.49 0.00 0.00 0.00 0.00 179.25 176.86 3dvx h ALA 134 N 1.59 -0.05 -0.95 0.00 0.00 -0.62 -3.26 119.26 115.97 3dvx h ALA 134 Ca 0.19 -0.94 0.13 0.00 0.00 0.00 0.00 54.91 54.30 3dvx h ALA 134 Cb 0.98 0.27 -0.09 0.00 0.00 0.00 0.00 17.79 18.96 3dvx h ALA 134 CO -0.00 0.76 0.57 0.00 0.00 0.00 0.00 179.25 180.58 3dvx h ALA 135 N 0.12 1.45 0.59 0.00 0.00 0.12 -1.07 119.26 120.46 3dvx h ALA 135 Ca -0.28 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 3dvx h ALA 135 Cb 2.07 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 19.73 3dvx h ALA 135 CO 0.22 0.10 -0.28 0.00 0.00 0.00 0.00 179.25 179.29 3dvx h ALA 136 N 1.55 -1.20 0.00 0.00 0.00 -1.51 -2.78 119.26 115.33 3dvx h ALA 136 Ca 0.49 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.23 3dvx h ALA 136 Cb 0.57 0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.67 3dvx h ALA 136 CO -0.30 -1.14 0.04 -0.07 0.00 0.00 0.00 179.25 177.78 3dvx h LEU 137 N -0.79 0.00 -0.95 0.00 3.38 -1.56 -1.22 115.31 114.17 3dvx h LEU 137 Ca -0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.89 3dvx h LEU 137 Cb 0.60 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.35 3dvx h LEU 137 CO 0.13 0.00 0.00 1.17 0.09 0.00 0.00 178.44 179.83 3dvx n LYS 138 N -2.82 0.63 0.00 1.13 0.00 -0.42 -1.98 118.16 114.71 3dvx n LYS 138 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.29 3dvx n LYS 138 Cb 0.10 -1.30 0.00 0.00 0.00 0.00 0.00 35.03 33.83 3dvx n LYS 138 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.40 178.34 3dvx n GLN 140 N 0.15 0.00 0.14 1.64 7.27 -0.46 -0.87 117.38 125.24 3dvx n GLN 140 Ca 0.00 0.00 -0.14 0.00 0.07 0.00 0.00 57.00 56.93 3dvx n GLN 140 Cb 0.15 0.00 -0.07 0.00 2.41 0.00 0.00 30.24 32.73 3dvx n GLN 140 CO 0.00 0.00 0.00 -0.22 0.07 0.00 0.00 177.06 176.91 3dvx h LYS 141 N 0.00 -0.27 -0.53 3.69 3.64 -1.65 -2.58 116.57 118.88 3dvx h LYS 141 Ca 0.00 0.02 0.07 0.00 -1.27 0.00 0.00 60.65 59.47 3dvx h LYS 141 Cb 0.00 0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.85 3dvx h LYS 141 CO 0.00 -0.18 0.35 -0.07 -2.27 0.00 0.00 179.45 177.29 3dvx h LEU 142 N -0.28 0.38 0.37 5.20 3.38 -1.30 0.75 115.31 123.82 3dvx h LEU 142 Ca -0.03 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 3dvx h LEU 142 Cb 0.22 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.89 3dvx h LEU 142 CO 0.04 0.25 -0.21 0.74 0.09 0.00 0.00 178.44 179.35 3dvx h THR 143 N 0.44 0.00 0.08 0.22 2.02 -1.72 0.13 112.91 114.07 3dvx h THR 143 Ca 0.23 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.42 3dvx h THR 143 Cb 0.36 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.75 3dvx h THR 143 CO -0.06 0.00 -0.12 -0.33 0.37 0.00 0.00 175.52 175.38 3dvx h GLU 144 N -0.54 -0.23 -0.77 6.66 5.08 -1.36 0.70 114.58 124.12 3dvx h GLU 144 Ca -0.05 0.02 0.10 0.00 -1.00 0.00 0.00 59.36 58.43 3dvx h GLU 144 Cb 0.42 0.05 -0.08 0.00 0.50 0.00 0.00 28.75 29.65 3dvx h GLU 144 CO 0.06 -0.15 0.41 0.37 -1.00 0.00 0.00 179.01 178.70 3dvx h GLN 145 N -0.24 0.65 -0.37 2.33 4.15 -0.89 -2.91 115.11 117.83 3dvx h GLN 145 Ca 0.02 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.40 3dvx h GLN 145 Cb 0.25 -0.15 0.00 0.00 0.21 0.00 0.00 27.48 27.79 3dvx h GLN 145 CO -0.06 0.43 0.00 0.66 -1.93 0.00 0.00 178.83 177.93 3dvx n TYR 146 N -4.82 1.11 -3.91 3.99 4.01 0.03 -4.97 117.16 112.60 3dvx n TYR 146 Ca 0.13 -0.76 -0.28 0.00 -0.16 0.00 0.00 57.90 56.83 3dvx n TYR 146 Cb 0.30 -0.29 0.01 0.00 -0.31 0.00 0.00 39.34 39.05 3dvx n TYR 146 CO 0.00 0.00 0.00 2.89 -0.46 0.00 0.00 176.86 179.29 3dvx n ARG 147 N 0.03 -4.58 -2.49 -0.72 1.85 0.20 -4.91 116.66 106.04 3dvx n ARG 147 Ca 0.21 0.53 -0.43 0.00 -1.00 0.00 0.00 57.85 57.17 3dvx n ARG 147 Cb 0.87 -5.16 -0.02 0.00 -1.05 0.00 0.00 32.46 27.09 3dvx n ARG 147 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 3dvx s ILE 148 N -3.53 4.39 0.00 8.89 -1.09 -0.94 -4.89 121.20 124.03 3dvx s ILE 148 Ca 0.37 1.67 0.16 0.00 -2.23 0.00 0.00 60.65 60.63 3dvx s ILE 148 Cb -0.19 -4.09 0.27 0.00 -1.58 0.00 0.00 42.46 36.87 3dvx s ILE 148 CO 0.85 -0.16 1.10 -0.90 -1.23 0.00 0.00 174.94 174.61 3dvx n ASP 149 N 6.55 0.61 -3.60 3.58 5.68 -1.26 -4.82 116.55 123.29 3dvx n ASP 149 Ca 0.13 -1.99 -0.10 0.00 -0.50 0.00 0.00 54.79 52.33 3dvx n ASP 149 Cb 0.45 -0.26 -0.06 0.00 -1.14 0.00 0.00 41.12 40.12 3dvx n ASP 149 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 3dvx s SER 150 N -1.61 -0.42 0.04 -1.12 1.04 -1.26 -5.17 113.70 105.20 3dvx s SER 150 Ca 0.21 0.60 0.04 0.00 0.48 0.00 0.00 55.95 57.28 3dvx s SER 150 Cb 0.24 0.54 -0.02 0.00 0.10 0.00 0.00 66.02 66.88 3dvx s SER 150 CO -0.11 -0.28 -0.12 0.42 0.98 0.00 0.00 173.24 174.13 3dvx s THR 151 N -0.58 0.95 0.25 2.02 -4.23 -1.26 -3.67 115.64 109.11 3dvx s THR 151 Ca -0.00 -0.96 -0.20 0.00 -1.18 0.00 0.00 61.69 59.34 3dvx s THR 151 Cb -0.02 -0.88 -0.09 0.00 1.34 0.00 0.00 72.50 72.85 3dvx s THR 151 CO -0.01 -0.07 0.76 -2.16 -0.54 0.00 0.00 174.62 172.60 3dvx s PRO 152 N -1.16 4.27 -0.13 3.99 0.04 -1.26 -4.72 135.00 136.03 3dvx s PRO 152 Ca -0.01 0.91 -0.02 0.00 0.04 0.00 0.00 61.00 61.93 3dvx s PRO 152 Cb -0.08 -2.81 -0.02 0.00 0.04 0.00 0.00 34.50 31.63 3dvx s PRO 152 CO 0.01 0.35 -0.08 0.99 0.04 0.00 0.00 177.00 178.31 3dvx s THR 153 N -1.59 3.49 -0.24 1.26 2.01 -0.89 -4.99 115.64 114.68 3dvx s THR 153 Ca 0.45 -0.51 0.01 0.00 0.31 0.00 0.00 61.69 61.95 3dvx s THR 153 Cb -0.16 -2.49 0.06 0.00 0.01 0.00 0.00 72.50 69.92 3dvx s THR 153 CO 0.21 0.52 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.90 3dvx s VAL 154 N 0.23 1.69 -0.24 3.82 1.01 -1.26 -1.21 120.40 124.42 3dvx s VAL 154 Ca -0.05 -1.34 -0.10 0.00 0.00 0.00 0.00 61.98 60.49 3dvx s VAL 154 Cb -0.15 -1.92 -0.04 0.00 0.00 0.00 0.00 36.38 34.26 3dvx s VAL 154 CO 0.04 -0.10 0.14 -0.63 0.00 0.00 0.00 175.10 174.54 3dvx s ILE 155 N 1.32 5.06 -1.14 2.22 1.09 -0.60 0.49 121.20 129.64 3dvx s ILE 155 Ca -0.06 0.08 -0.11 0.00 -1.10 0.00 0.00 60.65 59.45 3dvx s ILE 155 Cb -0.19 -3.36 0.23 0.00 -1.06 0.00 0.00 42.46 38.07 3dvx s ILE 155 CO -0.06 0.34 1.24 -0.69 -0.10 0.00 0.00 174.94 175.66 3dvx s VAL 156 N 1.25 5.56 -0.22 2.92 1.01 0.27 -0.85 120.40 130.34 3dvx s VAL 156 Ca 0.06 -3.03 -0.04 0.00 0.00 0.00 0.00 61.98 58.97 3dvx s VAL 156 Cb -0.14 -4.73 0.01 0.00 0.00 0.00 0.00 36.38 31.51 3dvx s VAL 156 CO 0.05 -1.37 0.10 0.61 0.00 0.00 0.00 175.10 174.49 3dvx n GLY 157 N 3.39 -2.19 2.35 4.51 0.00 0.78 -3.88 105.19 110.15 3dvx n GLY 157 Ca 0.29 0.42 -0.16 0.00 0.00 0.00 0.00 46.02 46.57 3dvx n GLY 157 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dvx n GLY 158 N 0.77 4.64 0.00 -0.02 0.00 -1.26 -4.66 105.19 104.66 3dvx n GLY 158 Ca 0.00 -2.09 0.00 0.00 0.00 0.00 0.00 46.02 43.93 3dvx n GLY 158 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3dvx n LYS 159 N -0.62 3.05 -3.71 1.61 2.85 -1.26 0.36 118.16 120.44 3dvx n LYS 159 Ca 0.30 0.00 -0.37 0.00 -1.05 0.00 0.00 58.31 57.19 3dvx n LYS 159 Cb 0.88 -0.33 -0.12 0.00 -0.65 0.00 0.00 35.03 34.81 3dvx n LYS 159 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 3dvx s TYR 160 N -0.24 3.12 -0.26 5.58 2.02 -1.25 -1.19 117.35 125.14 3dvx s TYR 160 Ca 0.00 -0.31 -0.09 0.00 -0.37 0.00 0.00 57.07 56.29 3dvx s TYR 160 Cb 0.00 -2.28 -0.04 0.00 -0.40 0.00 0.00 41.96 39.24 3dvx s TYR 160 CO 0.00 -0.32 0.14 0.50 -1.57 0.00 0.00 175.55 174.29 3dvx s ARG 161 N 1.65 3.87 0.32 -0.62 6.06 -0.50 0.94 118.95 130.67 3dvx s ARG 161 Ca 0.06 -0.37 -0.28 0.00 -2.50 0.00 0.00 55.73 52.65 3dvx s ARG 161 Cb -0.15 -3.50 -0.09 0.00 0.06 0.00 0.00 34.95 31.26 3dvx s ARG 161 CO 0.06 -0.12 1.12 0.08 -2.50 0.00 0.00 175.30 173.94 3dvx s VAL 162 N 1.52 3.40 -0.24 7.11 1.01 0.18 -0.45 120.40 132.92 3dvx s VAL 162 Ca 0.06 1.32 -0.02 0.00 0.00 0.00 0.00 61.98 63.34 3dvx s VAL 162 Cb -0.15 -3.80 0.02 0.00 0.00 0.00 0.00 36.38 32.45 3dvx s VAL 162 CO 0.07 0.24 -0.06 -0.63 0.00 0.00 0.00 175.10 174.73 3dvx s ILE 163 N -1.28 2.96 -1.08 2.22 -1.09 -0.91 -4.68 121.20 117.34 3dvx s ILE 163 Ca 0.49 -0.94 -0.05 0.00 -2.23 0.00 0.00 60.65 57.92 3dvx s ILE 163 Cb -0.31 -2.48 0.13 0.00 -1.58 0.00 0.00 42.46 38.22 3dvx s ILE 163 CO 0.40 0.23 2.43 0.49 -1.23 0.00 0.00 174.94 177.26 3dvx n PHE 164 N 4.69 2.37 1.33 3.97 3.72 -1.26 -4.71 117.46 127.58 3dvx n PHE 164 Ca -0.17 -2.58 0.11 0.00 -0.05 0.00 0.00 57.45 54.77 3dvx n PHE 164 Cb 0.48 -1.66 0.64 0.00 -0.94 0.00 0.00 39.48 38.00 3dvx n PHE 164 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 3dvx n ASN 165 N 1.32 0.00 -2.77 4.37 3.02 -1.26 -2.28 115.26 117.66 3dvx n ASN 165 Ca 0.58 -0.58 -0.11 0.00 -0.03 0.00 0.00 54.58 54.44 3dvx n ASN 165 Cb 0.32 -0.05 0.02 0.00 -0.61 0.00 0.00 39.78 39.46 3dvx n ASN 165 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 3dvx n ASN 166 N -1.05 1.27 0.00 6.41 0.23 -1.26 -5.12 115.26 115.74 3dvx n ASN 166 Ca 0.16 -2.77 0.00 0.00 -0.53 0.00 0.00 54.58 51.43 3dvx n ASN 166 Cb 0.09 -0.52 0.00 0.00 -2.08 0.00 0.00 39.78 37.27 3dvx n ASN 166 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3dvx n GLY 167 N 0.00 0.76 0.26 4.83 0.00 -0.97 -3.87 105.19 106.21 3dvx n GLY 167 Ca 0.12 -1.60 -0.01 0.00 0.00 0.00 0.00 46.02 44.54 3dvx n GLY 167 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3dvx h PHE 168 N 0.00 0.53 -0.96 1.61 -1.00 -1.99 -0.57 116.94 114.57 3dvx h PHE 168 Ca 0.00 -0.07 0.12 0.00 2.81 0.00 0.00 57.97 60.83 3dvx h PHE 168 Cb 0.00 -0.15 -0.08 0.00 3.61 0.00 0.00 35.95 39.33 3dvx h PHE 168 CO 0.00 0.57 0.61 0.38 -1.61 0.00 0.00 178.31 178.26 3dvx h ASP 169 N 0.47 0.84 0.88 2.17 -0.00 -1.97 -1.81 116.42 117.00 3dvx h ASP 169 Ca 0.09 0.04 -0.00 0.00 -0.00 0.00 0.00 57.03 57.17 3dvx h ASP 169 Cb 0.42 -0.13 -0.00 0.00 -0.00 0.00 0.00 39.33 39.63 3dvx h ASP 169 CO 0.02 0.45 -0.00 1.23 -0.00 0.00 0.00 179.24 180.93 3dvx h GLY 170 N 0.90 0.00 2.00 7.15 0.00 -1.21 -3.25 103.07 108.65 3dvx h GLY 170 Ca 0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.80 3dvx h GLY 170 CO -0.24 0.00 0.00 -1.33 0.00 0.00 0.00 176.54 174.97 3dvx h GLY 171 N 1.77 0.00 0.96 4.60 0.00 -1.09 -3.14 103.07 106.16 3dvx h GLY 171 Ca -0.00 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.28 3dvx h GLY 171 CO 0.00 0.00 0.09 -0.39 0.00 0.00 0.00 176.54 176.24 3dvx h VAL 172 N 0.00 1.24 -0.64 4.60 -1.51 -1.69 0.09 116.25 118.34 3dvx h VAL 172 Ca 0.00 -0.87 0.04 0.00 -1.23 0.00 0.00 66.70 64.64 3dvx h VAL 172 Cb 0.64 0.94 -0.04 0.00 -2.13 0.00 0.00 31.29 30.70 3dvx h VAL 172 CO 0.00 0.31 0.38 -0.74 -1.23 0.00 0.00 177.57 176.29 3dvx h HIS 173 N 0.60 0.72 -0.39 5.19 6.17 -1.79 -1.14 115.15 124.51 3dvx h HIS 173 Ca 0.14 0.02 -0.15 0.00 0.71 0.00 0.00 60.37 61.09 3dvx h HIS 173 Cb 0.36 -0.23 -0.01 0.00 2.52 0.00 0.00 27.41 30.05 3dvx h HIS 173 CO 0.02 0.39 -0.36 1.15 0.71 0.00 0.00 177.93 179.85 3dvx h THR 174 N 0.74 1.27 -0.92 6.26 2.02 -1.54 -1.83 112.91 118.92 3dvx h THR 174 Ca 0.27 -1.53 0.03 0.00 0.77 0.00 0.00 66.41 65.94 3dvx h THR 174 Cb 0.07 1.34 -0.05 0.00 -1.74 0.00 0.00 68.15 67.77 3dvx h THR 174 CO -0.13 0.51 0.60 0.40 0.37 0.00 0.00 175.52 177.28 3dvx h ILE 175 N 0.76 1.18 -0.33 3.11 2.04 -0.75 -0.65 117.51 122.87 3dvx h ILE 175 Ca 0.07 -0.41 -0.04 0.00 1.00 0.00 0.00 64.86 65.48 3dvx h ILE 175 Cb 0.94 -0.11 -0.02 0.00 -0.74 0.00 0.00 36.82 36.89 3dvx h ILE 175 CO 0.09 0.22 0.03 0.11 0.00 0.00 0.00 178.15 178.59 3dvx h LYS 176 N 1.19 0.49 0.00 2.37 1.57 -0.85 -1.03 116.57 120.31 3dvx h LYS 176 Ca 0.36 -0.09 -0.02 0.00 -1.87 0.00 0.00 60.65 59.03 3dvx h LYS 176 Cb -0.04 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.19 3dvx h LYS 176 CO -0.11 0.50 -0.09 0.93 -0.57 0.00 0.00 179.45 180.11 3dvx h GLU 177 N 0.48 0.00 0.08 3.15 4.39 -0.45 -3.08 114.58 119.15 3dvx h GLU 177 Ca 0.11 0.00 -0.25 0.00 0.34 0.00 0.00 59.36 59.56 3dvx h GLU 177 Cb 0.27 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.91 3dvx h GLU 177 CO 0.00 0.09 -1.14 -0.07 -1.16 0.00 0.00 179.01 176.74 3dvx h LEU 178 N 0.00 0.26 -1.27 1.33 3.38 -0.09 -1.02 115.31 117.90 3dvx h LEU 178 Ca -0.00 -0.28 -0.08 0.00 0.09 0.00 0.00 57.88 57.62 3dvx h LEU 178 Cb 0.94 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.59 3dvx h LEU 178 CO 0.01 1.21 -0.36 -0.37 0.09 0.00 0.00 178.44 179.02 3dvx h VAL 179 N 0.05 1.25 -0.17 1.22 -1.51 -1.25 -1.91 116.25 113.93 3dvx h VAL 179 Ca -0.08 -1.26 -0.03 0.00 -1.23 0.00 0.00 66.70 64.10 3dvx h VAL 179 Cb 1.88 1.68 -0.01 0.00 -2.13 0.00 0.00 31.29 32.71 3dvx h VAL 179 CO 0.17 0.36 -0.01 0.00 -1.23 0.00 0.00 177.57 176.86 3dvx h ALA 180 N 1.64 0.22 -0.01 5.19 0.00 -1.43 -0.74 119.26 124.14 3dvx h ALA 180 Ca -0.00 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.71 3dvx h ALA 180 Cb 0.65 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 3dvx h ALA 180 CO 0.05 -0.05 -0.37 0.87 0.00 0.00 0.00 179.25 179.74 3dvx h LYS 181 N 0.03 -0.44 -0.52 0.00 1.57 -0.77 -1.98 116.57 114.45 3dvx h LYS 181 Ca 0.05 0.03 0.08 0.00 -1.87 0.00 0.00 60.65 58.94 3dvx h LYS 181 Cb 0.40 0.10 -0.07 0.00 0.08 0.00 0.00 32.23 32.75 3dvx h LYS 181 CO 0.01 -0.30 0.14 0.28 -0.57 0.00 0.00 179.45 179.02 3dvx h VAL 182 N -0.46 0.75 0.00 0.50 2.07 -1.40 -0.46 116.25 117.25 3dvx h VAL 182 Ca 0.01 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.43 3dvx h VAL 182 Cb 0.50 0.43 0.00 0.00 -1.52 0.00 0.00 31.29 30.70 3dvx h VAL 182 CO -0.25 0.05 0.00 -1.14 0.02 0.00 0.00 177.57 176.25 3dvx n ARG 183 N -5.07 0.00 0.20 1.57 0.63 -0.28 0.15 116.66 113.86 3dvx n ARG 183 Ca 0.06 0.82 -0.09 0.00 -0.92 0.00 0.00 57.85 57.71 3dvx n ARG 183 Cb 0.24 -1.27 -0.05 0.00 0.45 0.00 0.00 32.46 31.84 3dvx n ARG 183 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 3dvx h GLU 184 N 0.00 -0.55 -0.59 -0.14 4.39 -1.03 -2.88 114.58 113.78 3dvx h GLU 184 Ca 0.00 0.04 0.07 0.00 0.34 0.00 0.00 59.36 59.81 3dvx h GLU 184 Cb 0.00 0.12 -0.08 0.00 -0.10 0.00 0.00 28.75 28.69 3dvx h GLU 184 CO 0.00 -0.36 -0.29 0.39 -1.16 0.00 0.00 179.01 177.59 3dvx n GLU 185 N -3.76 -0.19 0.00 2.33 1.02 -0.21 -5.13 120.64 114.70 3dvx n GLU 185 Ca -0.07 0.91 0.15 0.00 -0.02 0.00 0.00 57.16 58.13 3dvx n GLU 185 Cb 0.24 -1.34 0.89 0.00 -0.02 0.00 0.00 31.44 31.21 3dvx n GLU 185 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18