#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dvx n TYR 1 N 0.00 -1.46 -1.68 1.61 9.36 -1.26 -5.14 117.16 118.59 3dvx n TYR 1 Ca 0.00 -2.90 -0.40 0.00 3.32 0.00 0.00 57.90 57.92 3dvx n TYR 1 Cb 0.00 0.45 0.02 0.00 -0.63 0.00 0.00 39.34 39.18 3dvx n TYR 1 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3dvx n ALA 2 N 1.12 0.99 -3.43 2.98 0.00 -1.26 -4.97 120.51 115.95 3dvx n ALA 2 Ca 0.16 0.21 -0.44 0.00 0.00 0.00 0.00 53.44 53.38 3dvx n ALA 2 Cb 0.61 -2.22 -0.06 0.00 0.00 0.00 0.00 19.45 17.77 3dvx n ALA 2 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3dvx s LEU 3 N -1.70 6.07 -0.19 0.00 1.43 -1.26 -5.01 118.68 118.02 3dvx s LEU 3 Ca 0.64 -2.11 -0.15 0.00 -1.03 0.00 0.00 54.13 51.49 3dvx s LEU 3 Cb -0.50 -2.11 -0.04 0.00 0.03 0.00 0.00 46.19 43.57 3dvx s LEU 3 CO 0.56 -0.71 0.33 0.42 0.23 0.00 0.00 176.35 177.18 3dvx s THR 4 N 1.09 5.26 0.89 5.49 -4.23 -1.26 -5.02 115.64 117.86 3dvx s THR 4 Ca 0.08 0.60 -0.10 0.00 -1.18 0.00 0.00 61.69 61.09 3dvx s THR 4 Cb -0.24 -3.67 0.13 0.00 1.34 0.00 0.00 72.50 70.07 3dvx s THR 4 CO -0.01 0.32 1.13 -0.70 -0.54 0.00 0.00 174.62 174.82 3dvx s GLU 5 N 0.93 1.19 -0.87 3.99 2.12 -1.26 -1.75 118.70 123.05 3dvx s GLU 5 Ca 0.17 1.46 0.00 0.00 0.36 0.00 0.00 54.97 56.96 3dvx s GLU 5 Cb -0.14 -1.75 0.00 0.00 0.26 0.00 0.00 34.13 32.50 3dvx s GLU 5 CO 0.06 -2.48 0.00 0.41 -0.54 0.00 0.00 175.26 172.71 3dvx n GLY 6 N -0.04 0.83 1.84 -1.50 0.00 0.01 -4.61 105.19 101.71 3dvx n GLY 6 Ca 0.11 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.74 0.00 -0.02 1.61 2.13 -1.13 -4.91 120.64 117.58 3dvx n GLU 7 Ca -0.08 0.00 -0.13 0.00 0.66 0.00 0.00 57.16 57.60 3dvx n GLU 7 Cb 0.52 -0.05 -0.14 0.00 0.27 0.00 0.00 31.44 32.04 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 -3.09 1.32 -3.91 4.31 8.00 -0.72 -4.72 116.55 117.74 3dvx n ASP 8 Ca 0.00 0.32 -0.09 0.00 0.71 0.00 0.00 54.79 55.73 3dvx n ASP 8 Cb 0.00 -0.33 -0.05 0.00 -0.02 0.00 0.00 41.12 40.73 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 -2.58 0.19 -0.03 1.24 1.13 -1.26 0.35 117.35 116.39 3dvx s TYR 9 Ca -0.12 -0.56 0.03 0.00 -1.41 0.00 0.00 57.07 55.02 3dvx s TYR 9 Cb 0.07 0.26 0.00 0.00 -1.10 0.00 0.00 41.96 41.20 3dvx s TYR 9 CO 0.80 -0.97 -0.13 -0.51 -2.51 0.00 0.00 175.55 172.24 3dvx s LEU 10 N -2.97 1.84 -0.32 -3.49 1.43 -0.33 -0.81 118.68 114.03 3dvx s LEU 10 Ca 0.17 -0.27 -0.29 0.00 -1.03 0.00 0.00 54.13 52.71 3dvx s LEU 10 Cb -0.01 -0.76 0.01 0.00 0.03 0.00 0.00 46.19 45.47 3dvx s LEU 10 CO 0.05 0.11 1.12 -0.69 0.23 0.00 0.00 176.35 177.17 3dvx s VAL 11 N 0.13 4.42 0.47 -1.59 1.01 -1.26 -0.62 120.40 122.95 3dvx s VAL 11 Ca -0.04 1.62 -0.24 0.00 0.00 0.00 0.00 61.98 63.33 3dvx s VAL 11 Cb -0.10 -4.38 -0.08 0.00 0.00 0.00 0.00 36.38 31.82 3dvx s VAL 11 CO 0.01 -0.51 1.22 0.18 0.00 0.00 0.00 175.10 176.00 3dvx n LEU 12 N 7.07 4.11 -0.01 3.92 4.32 -0.77 -4.89 117.00 130.74 3dvx n LEU 12 Ca 0.12 1.04 -0.15 0.00 -0.02 0.00 0.00 56.01 57.00 3dvx n LEU 12 Cb 0.47 -1.48 -0.10 0.00 -1.62 0.00 0.00 43.42 40.69 3dvx n LEU 12 CO 0.61 -0.89 0.51 -2.24 -1.22 0.00 0.00 177.39 174.16 3dvx h ASP 13 N 1.69 -1.68 -3.26 -1.43 3.04 -1.92 -3.42 116.42 109.44 3dvx h ASP 13 Ca -0.48 0.20 -0.60 0.00 -3.24 0.00 0.00 57.03 52.91 3dvx h ASP 13 Cb 1.31 0.66 -0.40 0.00 -1.04 0.00 0.00 39.33 39.86 3dvx h ASP 13 CO 0.58 -0.47 -0.77 -0.75 -2.04 0.00 0.00 179.24 175.79 3dvx s LYS 14 N -5.62 1.11 0.53 4.15 2.20 -1.26 -5.12 119.74 115.73 3dvx s LYS 14 Ca -0.15 -1.85 -0.19 0.00 -0.36 0.00 0.00 55.97 53.42 3dvx s LYS 14 Cb 0.07 -2.08 -0.10 0.00 -1.51 0.00 0.00 37.83 34.21 3dvx s LYS 14 CO 0.59 -1.18 0.48 -2.30 -0.36 0.00 0.00 175.35 172.58 3dvx n PRO 15 N 3.65 0.50 -3.50 4.03 -0.02 -1.26 -4.97 135.00 133.42 3dvx n PRO 15 Ca 0.10 0.19 -0.39 0.00 -2.02 0.00 0.00 63.50 61.38 3dvx n PRO 15 Cb 0.35 -1.60 -0.10 0.00 -0.02 0.00 0.00 33.50 32.14 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 -1.68 5.25 0.17 4.25 1.09 -0.96 -5.04 121.20 124.28 3dvx s ILE 16 Ca 0.66 0.34 -0.33 0.00 -1.10 0.00 0.00 60.65 60.23 3dvx s ILE 16 Cb -0.49 -3.61 -0.13 0.00 -1.06 0.00 0.00 42.46 37.18 3dvx s ILE 16 CO 0.56 0.20 1.68 -2.65 -0.10 0.00 0.00 174.94 174.63 3dvx n PRO 17 N 5.18 2.49 -1.94 2.79 -0.02 -1.26 -4.45 135.00 137.79 3dvx n PRO 17 Ca -0.11 0.90 -0.35 0.00 -2.02 0.00 0.00 63.50 61.92 3dvx n PRO 17 Cb 0.51 -2.72 0.04 0.00 -0.02 0.00 0.00 33.50 31.31 3dvx n PRO 17 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3dvx s GLN 18 N 1.29 2.93 0.00 -0.52 -0.21 -1.26 -4.92 119.66 116.97 3dvx s GLN 18 Ca 0.78 1.64 0.12 0.00 0.02 0.00 0.00 55.36 57.92 3dvx s GLN 18 Cb -0.59 -1.94 0.58 0.00 1.00 0.00 0.00 33.01 32.06 3dvx s GLN 18 CO 0.36 -1.20 1.39 -0.85 -2.12 0.00 0.00 175.29 172.87 3dvx n GLU 19 N -1.87 1.24 -3.67 2.91 0.28 -1.26 -4.71 120.64 113.55 3dvx n GLU 19 Ca 0.12 -0.37 -0.10 0.00 -0.16 0.00 0.00 57.16 56.65 3dvx n GLU 19 Cb 0.51 -1.21 -0.11 0.00 1.43 0.00 0.00 31.44 32.06 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 -1.90 0.31 0.81 3.44 -0.21 -1.26 -5.15 119.66 115.70 3dvx s GLN 20 Ca 0.19 0.89 -0.11 0.00 0.02 0.00 0.00 55.36 56.35 3dvx s GLN 20 Cb 0.09 0.15 0.08 0.00 1.00 0.00 0.00 33.01 34.33 3dvx s GLN 20 CO 0.15 -0.23 1.09 0.45 -2.12 0.00 0.00 175.29 174.63 3dvx s SER 21 N 2.16 4.26 0.00 5.90 0.15 -1.26 -4.04 113.70 120.87 3dvx s SER 21 Ca -0.04 1.58 0.00 0.00 0.70 0.00 0.00 55.95 58.19 3dvx s SER 21 Cb -0.11 -2.30 0.00 0.00 -1.71 0.00 0.00 66.02 61.90 3dvx s SER 21 CO -0.12 -2.15 0.00 0.61 1.20 0.00 0.00 173.24 172.78 3dvx n GLY 22 N -1.46 3.05 3.11 9.45 0.00 -1.26 -4.98 105.19 113.09 3dvx n GLY 22 Ca 0.08 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.19 0.74 -0.25 1.61 1.02 -1.26 -4.98 119.74 116.43 3dvx s LYS 23 Ca 0.00 -0.74 -0.29 0.00 0.02 0.00 0.00 55.97 54.96 3dvx s LYS 23 Cb 0.00 -0.68 -0.00 0.00 -0.52 0.00 0.00 37.83 36.63 3dvx s LYS 23 CO 0.00 0.16 1.27 0.42 -0.92 0.00 0.00 175.35 176.28 3dvx s ILE 24 N -1.01 4.22 -0.13 2.17 1.01 0.70 -4.86 121.20 123.29 3dvx s ILE 24 Ca -0.02 1.41 -0.22 0.00 0.00 0.00 0.00 60.65 61.82 3dvx s ILE 24 Cb -0.08 -4.12 -0.03 0.00 0.01 0.00 0.00 42.46 38.24 3dvx s ILE 24 CO 0.01 -0.35 0.66 -0.70 0.00 0.00 0.00 174.94 174.55 3dvx s GLU 25 N 3.90 4.33 -0.31 2.79 2.12 -1.26 -1.62 118.70 128.65 3dvx s GLU 25 Ca 0.55 0.74 -0.12 0.00 0.36 0.00 0.00 54.97 56.50 3dvx s GLU 25 Cb -0.18 -3.50 -0.03 0.00 0.26 0.00 0.00 34.13 30.68 3dvx s GLU 25 CO 0.19 -0.07 0.21 0.08 -0.54 0.00 0.00 175.26 175.13 3dvx s VAL 26 N 1.30 5.18 -0.13 3.70 1.01 0.22 0.13 120.40 131.81 3dvx s VAL 26 Ca 0.33 -0.11 -0.02 0.00 0.00 0.00 0.00 61.98 62.18 3dvx s VAL 26 Cb -0.17 -3.58 -0.02 0.00 0.00 0.00 0.00 36.38 32.61 3dvx s VAL 26 CO 0.14 0.10 -0.07 -0.22 0.00 0.00 0.00 175.10 175.05 3dvx s LEU 27 N 1.72 3.11 -0.13 3.92 2.96 0.23 -0.04 118.68 130.44 3dvx s LEU 27 Ca 0.06 -0.15 -0.00 0.00 -0.22 0.00 0.00 54.13 53.82 3dvx s LEU 27 Cb -0.17 -1.72 0.02 0.00 0.50 0.00 0.00 46.19 44.82 3dvx s LEU 27 CO 0.10 0.21 -0.10 -0.70 -1.32 0.00 0.00 176.35 174.54 3dvx s GLU 28 N 0.11 1.80 0.25 1.98 2.12 0.60 -1.28 118.70 124.29 3dvx s GLU 28 Ca -0.02 -0.38 -0.17 0.00 0.36 0.00 0.00 54.97 54.76 3dvx s GLU 28 Cb -0.14 -1.79 -0.08 0.00 0.26 0.00 0.00 34.13 32.38 3dvx s GLU 28 CO 0.03 -0.26 0.70 -0.06 -0.54 0.00 0.00 175.26 175.13 3dvx s PHE 29 N 1.63 3.54 0.22 5.30 0.08 -0.17 -0.06 117.98 128.52 3dvx s PHE 29 Ca 0.05 1.28 -0.23 0.00 0.12 0.00 0.00 56.93 58.15 3dvx s PHE 29 Cb -0.13 -2.55 0.04 0.00 -0.57 0.00 0.00 43.02 39.81 3dvx s PHE 29 CO -0.09 0.26 0.84 -0.59 -0.10 0.00 0.00 175.22 175.54 3dvx s PHE 30 N -1.68 -0.16 0.05 0.36 -0.12 -0.52 -2.19 117.98 113.72 3dvx s PHE 30 Ca 0.46 -0.23 0.02 0.00 -0.05 0.00 0.00 56.93 57.13 3dvx s PHE 30 Cb -0.14 0.68 -0.03 0.00 -0.63 0.00 0.00 43.02 42.90 3dvx s PHE 30 CO 0.20 -1.04 -0.06 0.20 -0.05 0.00 0.00 175.22 174.46 3dvx s GLY 31 N -2.93 0.50 0.11 1.99 0.00 -1.26 -1.05 107.32 104.67 3dvx s GLY 31 Ca 0.12 -0.85 0.22 0.00 0.00 0.00 0.00 44.72 44.21 3dvx s GLY 31 CO 0.05 -0.92 1.69 -1.72 0.00 0.00 0.00 173.10 172.20 3dvx n TYR 32 N 1.18 0.40 0.02 1.90 4.01 -1.26 -2.73 117.16 120.68 3dvx n TYR 32 Ca -0.21 0.14 0.10 0.00 -0.16 0.00 0.00 57.90 57.77 3dvx n TYR 32 Cb 0.56 -0.73 0.28 0.00 -0.31 0.00 0.00 39.34 39.14 3dvx n TYR 32 CO 0.00 0.00 0.00 1.97 -0.46 0.00 0.00 176.86 178.37 3dvx n PHE 33 N -1.85 0.83 -3.70 -0.72 1.16 -1.26 -3.40 117.46 108.51 3dvx n PHE 33 Ca 0.04 -0.41 -0.39 0.00 -1.87 0.00 0.00 57.45 54.82 3dvx n PHE 33 Cb 0.27 0.00 -0.12 0.00 -1.61 0.00 0.00 39.48 38.02 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 6.09 0.81 0.05 0.00 3.04 -1.90 0.04 116.25 124.39 3dvx h VAL 35 Ca -0.24 -0.01 -0.23 0.00 -1.01 0.00 0.00 66.70 65.21 3dvx h VAL 35 Cb 1.09 0.77 -0.01 0.00 -2.01 0.00 0.00 31.29 31.13 3dvx h VAL 35 CO 0.63 0.01 -1.05 0.45 -1.01 0.00 0.00 177.57 176.59 3dvx h HIS 36 N 0.04 0.26 -0.03 3.17 3.86 -1.93 -2.11 115.15 118.41 3dvx h HIS 36 Ca 0.20 -0.18 -0.01 0.00 -1.16 0.00 0.00 60.37 59.22 3dvx h HIS 36 Cb 0.74 -0.02 -0.00 0.00 1.06 0.00 0.00 27.41 29.19 3dvx h HIS 36 CO -0.00 1.09 -0.01 0.00 0.86 0.00 0.00 177.93 179.87 3dvx h HIS 38 N -0.30 -0.11 -0.05 0.00 6.17 -1.25 0.37 115.15 119.98 3dvx h HIS 38 Ca 0.01 0.05 -0.20 0.00 0.71 0.00 0.00 60.37 60.94 3dvx h HIS 38 Cb 0.41 0.16 -0.00 0.00 2.52 0.00 0.00 27.41 30.49 3dvx h HIS 38 CO 0.06 -0.23 -0.82 0.45 0.71 0.00 0.00 177.93 178.11 3dvx h HIS 39 N 0.09 0.60 0.00 5.26 3.86 -1.34 -3.22 115.15 120.41 3dvx h HIS 39 Ca 0.37 -0.29 0.00 0.00 -1.16 0.00 0.00 60.37 59.28 3dvx h HIS 39 Cb 0.61 -0.08 0.00 0.00 1.06 0.00 0.00 27.41 29.00 3dvx h HIS 39 CO -0.43 1.08 0.00 0.35 0.86 0.00 0.00 177.93 179.79 3dvx h PHE 40 N 0.27 0.00 0.08 2.45 3.57 -0.52 -3.38 116.94 119.42 3dvx h PHE 40 Ca -0.05 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.44 3dvx h PHE 40 Cb 1.42 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.16 3dvx h PHE 40 CO 0.05 0.00 -0.04 0.22 -2.23 0.00 0.00 178.31 176.31 3dvx h ASP 41 N 0.00 -0.10 -0.77 0.41 3.58 -0.29 -1.68 116.42 117.58 3dvx h ASP 41 Ca 0.00 -0.10 0.17 0.00 0.42 0.00 0.00 57.03 57.53 3dvx h ASP 41 Cb 0.97 0.02 -0.12 0.00 1.72 0.00 0.00 39.33 41.92 3dvx h ASP 41 CO 0.00 0.04 0.19 -0.65 -2.88 0.00 0.00 179.24 175.93 3dvx h PRO 42 N -0.22 0.25 -0.07 0.28 0.11 -1.76 -1.09 132.00 129.50 3dvx h PRO 42 Ca -0.01 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 66.01 3dvx h PRO 42 Cb 0.18 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.23 3dvx h PRO 42 CO 0.02 0.17 -0.31 -0.07 -0.21 0.00 0.00 178.00 177.60 3dvx h LEU 43 N 0.26 0.13 0.11 2.35 4.07 -1.68 -2.17 115.31 118.38 3dvx h LEU 43 Ca 0.44 -0.04 -0.26 0.00 0.08 0.00 0.00 57.88 58.10 3dvx h LEU 43 Cb 0.78 -0.03 0.03 0.00 1.08 0.00 0.00 40.66 42.51 3dvx h LEU 43 CO -0.54 0.44 -1.08 0.25 -1.08 0.00 0.00 178.44 176.43 3dvx h LEU 44 N 0.11 0.75 -0.85 1.67 5.85 -0.35 -2.44 115.31 120.06 3dvx h LEU 44 Ca 0.02 -0.84 -0.04 0.00 0.84 0.00 0.00 57.88 57.86 3dvx h LEU 44 Cb 0.61 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.36 3dvx h LEU 44 CO 0.04 1.52 0.38 -0.07 -0.34 0.00 0.00 178.44 179.98 3dvx h LEU 45 N 0.09 1.11 0.07 2.25 3.38 -1.22 0.22 115.31 121.20 3dvx h LEU 45 Ca -0.17 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 57.66 3dvx h LEU 45 Cb 1.78 -0.29 -0.00 0.00 0.09 0.00 0.00 40.66 42.25 3dvx h LEU 45 CO 0.21 0.95 -0.04 0.50 0.09 0.00 0.00 178.44 180.14 3dvx h LYS 46 N 1.20 -0.10 -0.57 1.13 3.64 -1.37 0.28 116.57 120.77 3dvx h LYS 46 Ca 0.29 0.01 0.09 0.00 -1.27 0.00 0.00 60.65 59.76 3dvx h LYS 46 Cb 0.14 0.02 -0.07 0.00 -0.41 0.00 0.00 32.23 31.92 3dvx h LYS 46 CO -0.03 -0.06 0.20 1.25 -2.27 0.00 0.00 179.45 178.53 3dvx h LEU 47 N -0.10 0.18 -0.05 5.20 5.85 -1.32 -2.42 115.31 122.65 3dvx h LEU 47 Ca -0.01 0.08 0.04 0.00 0.84 0.00 0.00 57.88 58.83 3dvx h LEU 47 Cb 0.08 0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.13 3dvx h LEU 47 CO 0.01 0.12 -0.23 1.23 -0.34 0.00 0.00 178.44 179.22 3dvx h GLY 48 N 0.37 -0.30 2.00 3.75 0.00 -0.22 -1.97 103.07 106.71 3dvx h GLY 48 Ca 0.29 0.28 -0.00 0.00 0.00 0.00 0.00 47.33 47.89 3dvx h GLY 48 CO -0.30 -0.20 -0.02 0.50 0.00 0.00 0.00 176.54 176.52 3dvx h LYS 49 N -0.34 0.00 -0.07 4.80 1.57 -0.13 -2.13 116.57 120.26 3dvx h LYS 49 Ca 0.08 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 3dvx h LYS 49 Cb 0.44 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.75 3dvx h LYS 49 CO -0.25 0.02 0.00 0.00 -0.57 0.00 0.00 179.45 178.66 3dvx n ALA 50 N -2.28 2.49 -1.77 3.86 0.00 -0.80 -4.96 120.51 117.05 3dvx n ALA 50 Ca -0.03 -0.64 -0.40 0.00 0.00 0.00 0.00 53.44 52.37 3dvx n ALA 50 Cb 0.11 -0.93 -0.02 0.00 0.00 0.00 0.00 19.45 18.61 3dvx n ALA 50 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3dvx s LEU 51 N -1.92 4.34 1.29 0.00 2.96 -0.80 -4.99 118.68 119.56 3dvx s LEU 51 Ca 0.32 2.60 -0.21 0.00 -0.22 0.00 0.00 54.13 56.63 3dvx s LEU 51 Cb 0.20 -3.77 0.32 0.00 0.50 0.00 0.00 46.19 43.44 3dvx s LEU 51 CO 0.31 -0.62 1.05 -2.84 -1.32 0.00 0.00 176.35 172.93 3dvx s PRO 52 N -1.97 -1.92 0.02 0.98 0.02 -1.26 -4.89 135.00 125.99 3dvx s PRO 52 Ca 0.52 -0.02 0.21 0.00 0.02 0.00 0.00 61.00 61.73 3dvx s PRO 52 Cb -0.37 -1.51 0.89 0.00 0.02 0.00 0.00 34.50 33.52 3dvx s PRO 52 CO 0.49 -4.18 1.67 -1.13 -0.33 0.00 0.00 177.00 173.52 3dvx n SER 53 N -5.10 0.07 -0.27 2.53 3.41 -1.26 -2.62 113.62 110.38 3dvx n SER 53 Ca 0.13 0.51 0.12 0.00 -0.26 0.00 0.00 58.87 59.38 3dvx n SER 53 Cb 0.60 -0.53 0.28 0.00 -0.26 0.00 0.00 64.21 64.29 3dvx n SER 53 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3dvx n ASP 54 N -1.58 1.18 -4.37 4.04 5.68 -1.26 -4.92 116.55 115.32 3dvx n ASP 54 Ca 0.05 -0.96 -0.20 0.00 -0.50 0.00 0.00 54.79 53.18 3dvx n ASP 54 Cb 0.25 0.24 -0.10 0.00 -1.14 0.00 0.00 41.12 40.37 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 -2.55 2.16 0.12 2.12 0.00 -1.08 -0.22 121.76 122.31 3dvx s ALA 55 Ca 0.22 -1.72 -0.12 0.00 0.00 0.00 0.00 51.96 50.34 3dvx s ALA 55 Cb 0.19 -0.09 0.01 0.00 0.00 0.00 0.00 23.12 23.23 3dvx s ALA 55 CO 0.56 0.09 0.31 1.52 0.00 0.00 0.00 175.76 178.24 3dvx s TYR 56 N -2.90 0.02 -0.12 0.00 -0.85 -0.64 -4.61 117.35 108.25 3dvx s TYR 56 Ca 0.24 -0.39 -0.08 0.00 -0.52 0.00 0.00 57.07 56.32 3dvx s TYR 56 Cb -0.01 0.10 -0.04 0.00 0.38 0.00 0.00 41.96 42.39 3dvx s TYR 56 CO 0.09 -0.66 0.15 -1.17 -1.52 0.00 0.00 175.55 172.44 3dvx s LEU 57 N -2.85 4.38 -0.02 -3.49 2.96 -1.26 -0.61 118.68 117.79 3dvx s LEU 57 Ca 0.06 0.48 0.01 0.00 -0.22 0.00 0.00 54.13 54.47 3dvx s LEU 57 Cb 0.03 -2.10 0.01 0.00 0.50 0.00 0.00 46.19 44.63 3dvx s LEU 57 CO -0.09 0.39 -0.05 -0.60 -1.32 0.00 0.00 176.35 174.68 3dvx s ARG 58 N -0.94 0.55 -0.02 1.98 3.52 0.94 -4.92 118.95 120.05 3dvx s ARG 58 Ca 0.15 -0.13 0.04 0.00 -0.13 0.00 0.00 55.73 55.66 3dvx s ARG 58 Cb -0.12 -0.57 -0.01 0.00 -1.56 0.00 0.00 34.95 32.69 3dvx s ARG 58 CO 0.04 0.03 -0.14 0.95 -0.81 0.00 0.00 175.30 175.36 3dvx s THR 59 N 0.34 1.15 0.05 4.11 -4.23 -1.26 -0.29 115.64 115.52 3dvx s THR 59 Ca -0.04 -0.60 0.06 0.00 -1.18 0.00 0.00 61.69 59.93 3dvx s THR 59 Cb -0.08 -0.98 -0.03 0.00 1.34 0.00 0.00 72.50 72.76 3dvx s THR 59 CO -0.00 0.33 -0.16 -1.61 -0.54 0.00 0.00 174.62 172.64 3dvx s GLU 60 N -0.17 1.03 -0.35 3.99 0.41 0.91 -4.94 118.70 119.59 3dvx s GLU 60 Ca 0.02 -0.88 -0.09 0.00 -0.41 0.00 0.00 54.97 53.61 3dvx s GLU 60 Cb -0.07 -1.10 0.02 0.00 -1.78 0.00 0.00 34.13 31.20 3dvx s GLU 60 CO 0.00 0.27 0.16 -1.58 -0.49 0.00 0.00 175.26 173.62 3dvx s HIS 61 N -0.95 3.22 0.37 1.61 2.46 -1.26 -1.44 115.29 119.31 3dvx s HIS 61 Ca 0.03 -1.00 -0.26 0.00 0.47 0.00 0.00 55.06 54.30 3dvx s HIS 61 Cb -0.09 -2.37 -0.12 0.00 -0.13 0.00 0.00 32.58 29.88 3dvx s HIS 61 CO 0.02 -0.63 1.09 1.33 -2.47 0.00 0.00 174.74 174.09 3dvx n VAL 62 N 4.94 2.24 -3.99 0.89 0.24 -0.22 -4.67 118.33 117.77 3dvx n VAL 62 Ca -0.13 -0.50 -0.31 0.00 -2.04 0.00 0.00 64.34 61.37 3dvx n VAL 62 Cb 0.46 -1.25 -0.15 0.00 -1.47 0.00 0.00 33.84 31.43 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 -1.18 1.77 -0.37 3.34 1.01 -1.26 -4.78 120.40 118.93 3dvx s VAL 63 Ca 0.60 -1.36 0.08 0.00 0.00 0.00 0.00 61.98 61.30 3dvx s VAL 63 Cb -0.59 -1.96 -0.09 0.00 0.00 0.00 0.00 36.38 33.73 3dvx s VAL 63 CO 0.59 -0.06 0.34 0.79 0.00 0.00 0.00 175.10 176.76 3dvx n TRP 64 N 4.59 0.00 -3.35 5.22 8.01 -1.26 -4.79 117.44 125.86 3dvx n TRP 64 Ca -0.13 0.00 -0.09 0.00 -1.31 0.00 0.00 57.50 55.97 3dvx n TRP 64 Cb 0.43 -0.01 -0.08 0.00 -2.01 0.00 0.00 31.31 29.65 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 -1.82 0.35 0.00 -0.99 -2.07 -1.26 -5.04 119.66 108.83 3dvx s GLN 65 Ca 0.03 0.49 0.00 0.00 -1.82 0.00 0.00 55.36 54.06 3dvx s GLN 65 Cb 0.06 -0.47 0.00 0.00 -1.09 0.00 0.00 33.01 31.51 3dvx s GLN 65 CO 0.34 -0.68 0.00 -2.30 -1.32 0.00 0.00 175.29 171.33 3dvx n PRO 66 N 5.36 0.00 -0.02 9.60 -0.02 -1.26 -3.95 135.00 144.72 3dvx n PRO 66 Ca -0.03 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.45 3dvx n PRO 66 Cb 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.98 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 -2.99 0.08 0.00 -0.52 4.71 -1.26 -4.68 120.64 115.98 3dvx n GLU 67 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 3dvx n GLU 67 Cb 0.00 -1.46 0.00 0.00 -1.01 0.00 0.00 31.44 28.97 3dvx n GLU 67 CO 0.00 0.00 0.00 -0.11 0.09 0.00 0.00 177.13 177.11 3dvx n LEU 69 N 1.47 0.00 -0.12 -4.62 0.00 -1.25 -4.88 117.00 107.59 3dvx n LEU 69 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 56.01 56.06 3dvx n LEU 69 Cb 0.04 0.00 0.37 0.00 0.00 0.00 0.00 43.42 43.83 3dvx n LEU 69 CO 0.00 0.00 1.20 1.23 0.00 0.00 0.00 177.39 179.82 3dvx h GLY 70 N 0.00 0.82 1.05 -3.96 0.00 -1.83 0.77 103.07 99.90 3dvx h GLY 70 Ca 0.00 -0.28 -0.06 0.00 0.00 0.00 0.00 47.33 46.99 3dvx h GLY 70 CO 0.00 0.24 0.19 1.41 0.00 0.00 0.00 176.54 178.38 3dvx h LEU 71 N 0.71 1.02 -1.99 3.11 3.38 -1.82 -2.26 115.31 117.45 3dvx h LEU 71 Ca 0.25 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 3dvx h LEU 71 Cb 0.11 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.59 3dvx h LEU 71 CO -0.07 0.98 -0.10 0.00 0.09 0.00 0.00 178.44 179.34 3dvx h ALA 72 N 1.08 1.48 -0.22 1.53 0.00 -1.39 -1.89 119.26 119.85 3dvx h ALA 72 Ca 0.22 -0.09 -0.12 0.00 0.00 0.00 0.00 54.91 54.91 3dvx h ALA 72 Cb 0.34 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.05 3dvx h ALA 72 CO -0.00 0.12 0.16 -2.13 0.00 0.00 0.00 179.25 177.40 3dvx n ARG 73 N -3.90 1.30 0.00 0.00 0.63 0.10 -2.76 116.66 112.03 3dvx n ARG 73 Ca -0.02 -0.67 0.00 0.00 -0.92 0.00 0.00 57.85 56.23 3dvx n ARG 73 Cb 0.19 -1.26 0.00 0.00 0.45 0.00 0.00 32.46 31.84 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 0.37 0.00 -0.11 5.13 0.00 -0.71 -0.92 120.51 124.26 3dvx n ALA 75 Ca 0.13 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.48 3dvx n ALA 75 Cb 0.70 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.13 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 0.45 0.33 0.00 0.00 -1.79 -1.89 119.26 116.37 3dvx h ALA 76 Ca 0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 3dvx h ALA 76 Cb 0.00 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3dvx h ALA 76 CO 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 179.25 178.85 3dvx h ALA 77 N 1.03 -1.04 -0.94 0.00 0.00 -1.29 0.44 119.26 117.47 3dvx h ALA 77 Ca 0.12 -0.14 0.25 0.00 0.00 0.00 0.00 54.91 55.15 3dvx h ALA 77 Cb 0.10 0.67 -0.17 0.00 0.00 0.00 0.00 17.79 18.39 3dvx h ALA 77 CO -0.02 -1.08 0.07 0.28 0.00 0.00 0.00 179.25 178.51 3dvx h VAL 78 N -0.75 0.12 0.01 0.00 2.07 -1.81 0.13 116.25 116.02 3dvx h VAL 78 Ca -0.04 -0.02 -0.12 0.00 0.82 0.00 0.00 66.70 67.34 3dvx h VAL 78 Cb 0.67 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.48 3dvx h VAL 78 CO -0.09 0.01 -0.64 -1.13 0.02 0.00 0.00 177.57 175.75 3dvx h ASN 79 N 0.05 0.04 -1.08 0.57 -0.00 -1.07 -0.48 115.58 113.62 3dvx h ASN 79 Ca 0.57 -0.79 0.30 0.00 -0.00 0.00 0.00 56.30 56.38 3dvx h ASN 79 Cb 1.16 -0.01 -0.07 0.00 -0.00 0.00 0.00 38.32 39.40 3dvx h ASN 79 CO -0.84 1.26 0.74 -0.07 -0.00 0.00 0.00 177.43 178.52 3dvx h LEU 80 N -0.93 0.21 -0.12 0.34 4.07 0.22 -0.44 115.31 118.66 3dvx h LEU 80 Ca -0.17 0.04 0.00 0.00 0.08 0.00 0.00 57.88 57.83 3dvx h LEU 80 Cb 1.20 0.01 0.00 0.00 1.08 0.00 0.00 40.66 42.94 3dvx h LEU 80 CO -0.08 0.04 -0.14 -1.54 -1.08 0.00 0.00 178.44 175.64 3dvx n SER 81 N -4.41 0.32 -0.68 -0.43 3.41 0.43 -4.91 113.62 107.35 3dvx n SER 81 Ca 0.24 -0.22 -0.08 0.00 -0.26 0.00 0.00 58.87 58.55 3dvx n SER 81 Cb 1.03 -0.14 -0.03 0.00 -0.26 0.00 0.00 64.21 64.81 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 1.37 0.85 1.33 5.00 0.00 -0.17 -4.94 105.19 108.63 3dvx n GLY 82 Ca 0.11 -0.65 0.02 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.97 4.70 0.21 0.99 4.77 -0.19 -4.68 117.00 121.82 3dvx n LEU 83 Ca -0.08 -3.21 -0.15 0.00 -0.03 0.00 0.00 56.01 52.54 3dvx n LEU 83 Cb 0.32 -0.63 -0.08 0.00 -2.33 0.00 0.00 43.42 40.71 3dvx n LEU 83 CO 0.12 0.81 0.63 0.50 -1.33 0.00 0.00 177.39 178.12 3dvx h LYS 84 N 2.07 -0.69 -0.03 3.23 3.64 -1.88 0.65 116.57 123.56 3dvx h LYS 84 Ca 0.11 0.05 0.01 0.00 -1.27 0.00 0.00 60.65 59.55 3dvx h LYS 84 Cb 1.78 0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 33.75 3dvx h LYS 84 CO 0.42 -0.46 0.03 1.88 -2.27 0.00 0.00 179.45 179.04 3dvx h TYR 85 N -0.72 0.00 0.03 1.91 0.05 -1.93 -2.47 116.97 113.84 3dvx h TYR 85 Ca -0.02 0.00 -0.16 0.00 0.05 0.00 0.00 58.73 58.60 3dvx h TYR 85 Cb 0.66 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.39 3dvx h TYR 85 CO -0.22 0.00 -0.85 1.96 -1.05 0.00 0.00 178.16 178.01 3dvx h GLN 86 N 0.00 0.06 0.00 4.88 7.50 -1.75 -3.43 115.11 122.37 3dvx h GLN 86 Ca 0.01 -0.11 -0.21 0.00 0.50 0.00 0.00 58.65 58.84 3dvx h GLN 86 Cb 0.07 0.04 -0.04 0.00 0.05 0.00 0.00 27.48 27.60 3dvx h GLN 86 CO -0.00 1.05 -1.76 0.00 -1.50 0.00 0.00 178.83 176.62 3dvx n ALA 87 N -3.02 1.87 -0.01 3.87 0.00 0.17 -4.46 120.51 118.93 3dvx n ALA 87 Ca -0.22 -0.76 -0.13 0.00 0.00 0.00 0.00 53.44 52.33 3dvx n ALA 87 Cb 0.66 -0.73 -0.08 0.00 0.00 0.00 0.00 19.45 19.30 3dvx n ALA 87 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 3dvx h ASN 88 N 0.00 -1.43 -0.59 0.00 4.21 -1.62 0.26 115.58 116.42 3dvx h ASN 88 Ca -0.25 0.17 0.11 0.00 1.21 0.00 0.00 56.30 57.54 3dvx h ASN 88 Cb 1.74 0.56 -0.12 0.00 -1.12 0.00 0.00 38.32 39.38 3dvx h ASN 88 CO 0.04 -0.40 -0.24 -0.65 -1.29 0.00 0.00 177.43 174.89 3dvx h PRO 89 N -0.48 -0.09 -0.27 0.81 0.11 -1.84 -0.12 132.00 130.11 3dvx h PRO 89 Ca 0.03 0.01 0.03 0.00 0.11 0.00 0.00 66.00 66.17 3dvx h PRO 89 Cb 0.56 0.02 -0.03 0.00 0.11 0.00 0.00 31.00 31.66 3dvx h PRO 89 CO -0.36 -0.06 0.09 0.00 -0.21 0.00 0.00 178.00 177.46 3dvx h ALA 90 N 1.30 0.31 0.30 -0.75 0.00 -1.59 -1.67 119.26 117.16 3dvx h ALA 90 Ca 0.26 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 3dvx h ALA 90 Cb 0.51 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 3dvx h ALA 90 CO -0.65 -0.31 -0.16 0.28 0.00 0.00 0.00 179.25 178.40 3dvx h VAL 91 N 0.22 0.66 -0.77 0.00 2.07 0.82 -0.57 116.25 118.67 3dvx h VAL 91 Ca 0.12 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.79 3dvx h VAL 91 Cb 0.09 0.66 -0.10 0.00 -1.52 0.00 0.00 31.29 30.42 3dvx h VAL 91 CO -0.13 0.00 0.31 -0.26 0.02 0.00 0.00 177.57 177.52 3dvx h PHE 92 N -0.43 0.54 0.38 1.57 0.04 -1.00 -1.03 116.94 117.00 3dvx h PHE 92 Ca -0.04 0.04 -0.01 0.00 2.80 0.00 0.00 57.97 60.76 3dvx h PHE 92 Cb 0.35 -0.12 -0.00 0.00 2.20 0.00 0.00 35.95 38.38 3dvx h PHE 92 CO -0.07 0.06 -0.22 -0.22 -0.60 0.00 0.00 178.31 177.26 3dvx h LYS 93 N 0.45 -0.54 -1.00 1.51 3.64 -0.81 0.36 116.57 120.18 3dvx h LYS 93 Ca 0.43 0.04 0.09 0.00 -1.27 0.00 0.00 60.65 59.93 3dvx h LYS 93 Cb 0.67 0.12 -0.07 0.00 -0.41 0.00 0.00 32.23 32.54 3dvx h LYS 93 CO -0.41 -0.36 0.64 0.00 -2.27 0.00 0.00 179.45 177.05 3dvx h ALA 94 N 0.04 1.45 0.03 5.00 0.00 -0.37 0.20 119.26 125.61 3dvx h ALA 94 Ca -0.04 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 3dvx h ALA 94 Cb 0.45 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3dvx h ALA 94 CO 0.06 0.36 -0.02 0.28 0.00 0.00 0.00 179.25 179.93 3dvx h VAL 95 N 1.11 0.64 0.15 0.00 2.07 -0.98 0.41 116.25 119.64 3dvx h VAL 95 Ca 0.46 -1.42 -0.23 0.00 0.82 0.00 0.00 66.70 66.33 3dvx h VAL 95 Cb 0.29 1.19 0.02 0.00 -1.52 0.00 0.00 31.29 31.27 3dvx h VAL 95 CO -0.21 0.21 -1.08 0.22 0.02 0.00 0.00 177.57 176.73 3dvx h TYR 96 N -0.99 0.58 0.22 1.57 3.20 -0.22 -2.42 116.97 118.90 3dvx h TYR 96 Ca -0.00 -0.42 -0.35 0.00 3.14 0.00 0.00 58.73 61.10 3dvx h TYR 96 Cb 0.38 -0.02 0.02 0.00 1.54 0.00 0.00 36.73 38.65 3dvx h TYR 96 CO 0.10 1.42 -1.62 0.93 -1.64 0.00 0.00 178.16 177.34 3dvx h GLU 97 N -0.28 0.47 -0.02 1.82 5.08 -0.79 -3.38 114.58 117.47 3dvx h GLU 97 Ca -0.20 -0.80 0.00 0.00 -1.00 0.00 0.00 59.36 57.36 3dvx h GLU 97 Cb 1.75 0.30 0.00 0.00 0.50 0.00 0.00 28.75 31.30 3dvx h GLU 97 CO 0.14 1.38 -0.09 1.04 -1.00 0.00 0.00 179.01 180.49 3dvx n GLN 98 N -3.65 1.83 -1.49 2.33 6.02 -0.13 -4.95 117.38 117.34 3dvx n GLN 98 Ca -0.21 -1.59 -0.14 0.00 -0.01 0.00 0.00 57.00 55.05 3dvx n GLN 98 Cb 1.09 -1.40 -0.06 0.00 1.02 0.00 0.00 30.24 30.89 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 0.93 -1.37 -2.19 -1.09 4.76 -0.69 -4.90 118.16 113.61 3dvx n LYS 99 Ca 0.11 0.83 -0.41 0.00 -2.87 0.00 0.00 58.31 55.98 3dvx n LYS 99 Cb 0.51 -5.13 -0.03 0.00 -1.84 0.00 0.00 35.03 28.54 3dvx n LYS 99 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3dvx s ILE 100 N -2.25 2.93 -1.16 -0.18 1.01 0.13 -4.91 121.20 116.77 3dvx s ILE 100 Ca 0.00 0.90 -0.12 0.00 0.00 0.00 0.00 60.65 61.43 3dvx s ILE 100 Cb 0.00 -3.57 0.22 0.00 0.01 0.00 0.00 42.46 39.12 3dvx s ILE 100 CO 0.00 0.20 1.28 -0.13 0.00 0.00 0.00 174.94 176.29 3dvx s ARG 101 N -1.43 4.14 0.29 2.79 0.52 -1.26 -4.41 118.95 119.58 3dvx s ARG 101 Ca 0.50 -2.87 0.25 0.00 -0.52 0.00 0.00 55.73 53.09 3dvx s ARG 101 Cb -0.38 -4.82 0.97 0.00 0.52 0.00 0.00 34.95 31.23 3dvx s ARG 101 CO 0.48 -1.52 1.75 -0.07 0.02 0.00 0.00 175.30 175.96 3dvx h LEU 102 N 8.30 0.00 -1.91 2.53 3.38 -1.93 -1.87 115.31 123.81 3dvx h LEU 102 Ca 0.25 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.19 3dvx h LEU 102 Cb 0.88 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.62 3dvx h LEU 102 CO 1.13 0.00 -0.12 1.05 0.09 0.00 0.00 178.44 180.59 3dvx h GLU 103 N 0.00 0.00 -6.64 1.13 9.09 -1.86 -3.41 114.58 112.89 3dvx h GLU 103 Ca 0.00 0.00 -0.51 0.00 0.05 0.00 0.00 59.36 58.90 3dvx h GLU 103 Cb 0.49 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.58 3dvx h GLU 103 CO 0.00 0.12 0.41 1.21 0.05 0.00 0.00 179.01 180.80 3dvx s ASN 104 N -6.38 7.43 -0.02 3.06 3.84 -0.70 -4.42 114.94 117.75 3dvx s ASN 104 Ca -0.03 1.95 -0.21 0.00 0.21 0.00 0.00 52.86 54.78 3dvx s ASN 104 Cb 0.14 -2.60 -0.27 0.00 -0.55 0.00 0.00 41.25 37.97 3dvx s ASN 104 CO 0.61 -0.09 1.01 -0.09 -2.79 0.00 0.00 177.10 175.75 3dvx h ARG 105 N 5.10 0.35 -0.51 0.43 9.65 -1.85 -1.45 114.38 126.11 3dvx h ARG 105 Ca -0.44 -0.46 0.06 0.00 -1.10 0.00 0.00 59.98 58.05 3dvx h ARG 105 Cb 1.21 0.15 -0.05 0.00 -1.39 0.00 0.00 29.97 29.88 3dvx h ARG 105 CO 0.71 1.15 0.21 0.66 2.80 0.00 0.00 179.97 185.50 3dvx h SER 106 N -0.24 0.25 -0.22 -3.80 4.64 -1.94 -1.94 113.55 110.30 3dvx h SER 106 Ca -0.10 0.05 -0.01 0.00 -0.47 0.00 0.00 61.79 61.26 3dvx h SER 106 Cb 1.43 0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 63.53 3dvx h SER 106 CO 0.13 0.17 0.08 0.58 -0.87 0.00 0.00 176.83 176.92 3dvx h VAL 107 N 0.41 1.17 0.03 0.95 2.07 -1.83 -2.81 116.25 116.24 3dvx h VAL 107 Ca 0.24 -0.51 -0.00 0.00 0.82 0.00 0.00 66.70 67.25 3dvx h VAL 107 Cb 0.23 1.11 -0.00 0.00 -1.52 0.00 0.00 31.29 31.10 3dvx h VAL 107 CO -0.22 0.17 -0.03 0.00 0.02 0.00 0.00 177.57 177.51 3dvx h ALA 108 N 0.92 -0.80 -0.94 1.67 0.00 -0.95 -1.24 119.26 117.93 3dvx h ALA 108 Ca 0.07 -0.01 0.39 0.00 0.00 0.00 0.00 54.91 55.36 3dvx h ALA 108 Cb 0.18 0.25 -0.17 0.00 0.00 0.00 0.00 17.79 18.06 3dvx h ALA 108 CO -0.01 -0.80 0.51 0.41 0.00 0.00 0.00 179.25 179.37 3dvx n GLY 109 N -1.03 -0.70 0.11 0.00 0.00 -0.76 0.07 105.19 102.89 3dvx n GLY 109 Ca -0.01 0.75 -0.12 0.00 0.00 0.00 0.00 46.02 46.64 3dvx n GLY 109 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3dvx h LYS 110 N 0.00 -0.16 -0.21 1.61 3.64 -1.16 -2.38 116.57 117.91 3dvx h LYS 110 Ca 0.79 0.01 0.05 0.00 -1.27 0.00 0.00 60.65 60.23 3dvx h LYS 110 Cb 2.10 0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 33.91 3dvx h LYS 110 CO -0.71 0.29 -0.11 2.35 -2.27 0.00 0.00 179.45 179.01 3dvx h TRP 111 N -0.70 -0.26 -0.68 1.91 7.01 0.33 -0.55 115.95 123.01 3dvx h TRP 111 Ca -0.02 0.02 0.07 0.00 2.11 0.00 0.00 58.89 61.08 3dvx h TRP 111 Cb 0.52 0.15 -0.06 0.00 -2.10 0.00 0.00 29.16 27.67 3dvx h TRP 111 CO 0.08 -0.17 0.36 0.00 -2.79 0.00 0.00 178.44 175.92 3dvx h ALA 112 N 1.09 0.92 0.00 2.65 0.00 -0.38 -0.72 119.26 122.82 3dvx h ALA 112 Ca 0.12 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 3dvx h ALA 112 Cb 0.26 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 3dvx h ALA 112 CO -0.27 -0.00 -0.05 -0.07 0.00 0.00 0.00 179.25 178.86 3dvx h LEU 113 N 0.64 0.00 -0.08 0.00 3.38 -1.20 -2.71 115.31 115.33 3dvx h LEU 113 Ca 0.32 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.29 3dvx h LEU 113 Cb 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 3dvx h LEU 113 CO -0.22 0.05 0.00 0.77 0.09 0.00 0.00 178.44 179.13 3dvx h SER 114 N 0.00 0.00 -3.17 -0.43 4.64 0.18 -3.46 113.55 111.31 3dvx h SER 114 Ca -0.00 0.00 -0.40 0.00 -0.47 0.00 0.00 61.79 60.92 3dvx h SER 114 Cb 0.98 0.00 0.21 0.00 -0.31 0.00 0.00 62.40 63.28 3dvx h SER 114 CO 0.01 0.00 -0.05 -1.10 -0.87 0.00 0.00 176.83 174.82 3dvx s GLN 115 N -3.15 -2.27 0.00 4.77 -1.52 -0.40 -5.00 119.66 112.10 3dvx s GLN 115 Ca 0.09 0.23 0.00 0.00 -1.95 0.00 0.00 55.36 53.74 3dvx s GLN 115 Cb 0.11 -1.45 0.00 0.00 -0.22 0.00 0.00 33.01 31.45 3dvx s GLN 115 CO 0.59 -4.46 0.00 0.36 -0.25 0.00 0.00 175.29 171.53 3dvx n LYS 116 N -5.35 0.00 -0.06 2.91 0.00 -1.26 -4.91 118.16 109.49 3dvx n LYS 116 Ca 0.11 0.00 0.09 0.00 -0.00 0.00 0.00 58.31 58.51 3dvx n LYS 116 Cb 0.59 -0.00 0.11 0.00 -0.00 0.00 0.00 35.03 35.73 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 0.00 0.83 3.82 2.58 0.00 -1.26 -5.00 105.19 106.16 3dvx n GLY 117 Ca 0.00 -0.54 -0.06 0.00 0.00 0.00 0.00 46.02 45.43 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 -1.41 -0.06 -0.92 1.61 -0.71 -1.26 -4.94 117.98 110.29 3dvx s PHE 118 Ca 0.24 -0.38 -0.24 0.00 -1.04 0.00 0.00 56.93 55.51 3dvx s PHE 118 Cb 0.16 0.71 0.02 0.00 -1.21 0.00 0.00 43.02 42.70 3dvx s PHE 118 CO 0.23 -1.12 1.57 0.34 -1.34 0.00 0.00 175.22 174.90 3dvx s ASP 119 N -3.03 6.03 0.54 1.98 3.68 -1.26 -4.79 116.67 119.80 3dvx s ASP 119 Ca 0.14 -0.97 0.32 0.00 2.13 0.00 0.00 52.55 54.17 3dvx s ASP 119 Cb -0.04 -2.56 1.40 0.00 -1.45 0.00 0.00 42.92 40.27 3dvx s ASP 119 CO 0.06 -1.93 2.01 1.23 0.13 0.00 0.00 175.17 176.67 3dvx h GLY 120 N 14.34 0.00 0.64 2.66 0.00 -1.92 -2.59 103.07 116.20 3dvx h GLY 120 Ca 0.07 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.37 3dvx h GLY 120 CO 1.34 0.00 -0.23 1.70 0.00 0.00 0.00 176.54 179.34 3dvx h LYS 121 N 0.00 -0.63 -0.95 4.80 1.63 -1.87 -2.99 116.57 116.56 3dvx h LYS 121 Ca -0.00 0.04 0.27 0.00 -0.85 0.00 0.00 60.65 60.11 3dvx h LYS 121 Cb 0.48 0.14 -0.17 0.00 -0.60 0.00 0.00 32.23 32.08 3dvx h LYS 121 CO 0.01 -0.33 0.11 0.87 -3.45 0.00 0.00 179.45 176.65 3dvx h LYS 122 N -1.02 0.05 -0.07 1.90 1.57 -1.94 -0.27 116.57 116.77 3dvx h LYS 122 Ca -0.07 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 3dvx h LYS 122 Cb 0.59 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.89 3dvx h LYS 122 CO 0.11 0.03 0.00 -0.11 -0.57 0.00 0.00 179.45 178.91 3dvx n LEU 123 N -5.41 0.07 0.00 2.94 7.94 -0.99 -2.17 117.00 119.38 3dvx n LEU 123 Ca 0.23 -0.04 0.00 0.00 -1.11 0.00 0.00 56.01 55.10 3dvx n LEU 123 Cb 0.77 -0.04 0.00 0.00 0.53 0.00 0.00 43.42 44.69 3dvx n LEU 123 CO -0.03 0.02 0.00 0.54 -1.11 0.00 0.00 177.39 176.81 3dvx n ARG 125 N 0.31 0.00 0.04 1.96 1.74 -0.11 -0.41 116.66 120.18 3dvx n ARG 125 Ca 0.00 0.00 -0.07 0.00 -0.77 0.00 0.00 57.85 57.01 3dvx n ARG 125 Cb 0.02 0.00 0.09 0.00 -1.02 0.00 0.00 32.46 31.55 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 0.79 -0.57 7.54 0.00 -1.71 -1.61 119.26 123.70 3dvx h ALA 126 Ca 0.00 -0.51 -0.06 0.00 0.00 0.00 0.00 54.91 54.34 3dvx h ALA 126 Cb 0.00 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3dvx h ALA 126 CO 0.00 0.69 0.12 -0.92 0.00 0.00 0.00 179.25 179.14 3dvx h TYR 127 N 0.33 0.98 0.00 0.00 3.20 -1.00 -2.31 116.97 118.16 3dvx h TYR 127 Ca 0.01 -0.12 -0.05 0.00 3.14 0.00 0.00 58.73 61.70 3dvx h TYR 127 Cb 1.06 -0.27 -0.01 0.00 1.54 0.00 0.00 36.73 39.05 3dvx h TYR 127 CO 0.03 0.85 -0.25 -0.44 -1.64 0.00 0.00 178.16 176.71 3dvx h ASP 128 N 0.83 0.00 -2.83 -2.11 3.32 -1.81 -3.43 116.42 110.39 3dvx h ASP 128 Ca 0.18 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.64 3dvx h ASP 128 Cb 0.37 0.00 0.09 0.00 0.22 0.00 0.00 39.33 40.02 3dvx h ASP 128 CO 0.01 0.25 0.51 -1.54 -1.72 0.00 0.00 179.24 176.75 3dvx n SER 129 N -3.36 2.53 0.32 6.45 3.41 -0.61 -4.81 113.62 117.54 3dvx n SER 129 Ca 0.00 1.17 0.20 0.00 -0.26 0.00 0.00 58.87 59.98 3dvx n SER 129 Cb 0.47 -1.42 1.07 0.00 -0.26 0.00 0.00 64.21 64.07 3dvx n SER 129 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 3dvx h PRO 130 N 3.38 0.00 -0.36 4.33 0.13 -1.89 -0.70 132.00 136.89 3dvx h PRO 130 Ca -0.45 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.65 3dvx h PRO 130 Cb 1.29 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.40 3dvx h PRO 130 CO 0.69 0.00 0.09 0.93 -0.23 0.00 0.00 178.00 179.48 3dvx h GLU 131 N 0.00 0.52 -0.48 0.86 3.07 -1.89 -2.64 114.58 114.03 3dvx h GLU 131 Ca 0.01 -0.08 -0.05 0.00 -0.50 0.00 0.00 59.36 58.74 3dvx h GLU 131 Cb 0.15 -0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 27.95 3dvx h GLU 131 CO -0.00 0.48 0.13 0.00 -1.40 0.00 0.00 179.01 178.22 3dvx h ALA 132 N 1.59 0.64 -0.52 3.43 0.00 -1.31 -1.74 119.26 121.34 3dvx h ALA 132 Ca 0.12 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 3dvx h ALA 132 Cb 0.20 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3dvx h ALA 132 CO -0.00 0.32 0.11 0.00 0.00 0.00 0.00 179.25 179.67 3dvx h ALA 133 N 0.99 0.69 -0.97 0.00 0.00 -1.58 -1.20 119.26 117.19 3dvx h ALA 133 Ca 0.15 -0.23 0.07 0.00 0.00 0.00 0.00 54.91 54.90 3dvx h ALA 133 Cb 0.32 -0.20 -0.07 0.00 0.00 0.00 0.00 17.79 17.84 3dvx h ALA 133 CO 0.00 0.41 0.62 0.00 0.00 0.00 0.00 179.25 180.28 3dvx h ALA 134 N 0.99 1.35 -0.08 0.00 0.00 -1.28 -1.77 119.26 118.47 3dvx h ALA 134 Ca 0.16 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.89 3dvx h ALA 134 Cb 0.37 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3dvx h ALA 134 CO 0.01 0.40 -0.65 0.00 0.00 0.00 0.00 179.25 179.00 3dvx h ALA 135 N 1.45 0.74 -0.02 0.00 0.00 -1.01 -1.89 119.26 118.53 3dvx h ALA 135 Ca 0.42 -0.57 0.01 0.00 0.00 0.00 0.00 54.91 54.77 3dvx h ALA 135 Cb 0.18 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3dvx h ALA 135 CO -0.18 0.75 -0.05 0.00 0.00 0.00 0.00 179.25 179.78 3dvx h ALA 136 N 1.08 -0.03 -0.81 0.00 0.00 -0.42 -2.85 119.26 116.23 3dvx h ALA 136 Ca -0.01 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3dvx h ALA 136 Cb 1.19 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 19.03 3dvx h ALA 136 CO 0.11 -0.54 0.42 -0.07 0.00 0.00 0.00 179.25 179.17 3dvx h LEU 137 N -0.07 1.03 -1.95 0.00 3.38 -1.25 -1.70 115.31 114.75 3dvx h LEU 137 Ca 0.02 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.88 3dvx h LEU 137 Cb 0.11 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.59 3dvx h LEU 137 CO -0.06 0.85 0.00 0.29 0.09 0.00 0.00 178.44 179.61 3dvx n LYS 138 N -4.38 0.13 0.00 1.13 5.02 -0.72 -0.77 118.16 118.57 3dvx n LYS 138 Ca 0.08 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.37 3dvx n LYS 138 Cb 0.11 -1.42 0.00 0.00 -0.02 0.00 0.00 35.03 33.71 3dvx n LYS 138 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 3dvx n GLN 140 N 0.91 0.00 -0.02 1.97 7.27 -0.64 -0.32 117.38 126.55 3dvx n GLN 140 Ca 0.00 0.00 -0.09 0.00 0.07 0.00 0.00 57.00 56.98 3dvx n GLN 140 Cb 0.06 0.00 -0.03 0.00 2.41 0.00 0.00 30.24 32.69 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 -0.09 -0.79 3.69 3.11 -1.23 -2.21 116.57 119.05 3dvx h LYS 141 Ca 0.00 0.01 0.14 0.00 -2.81 0.00 0.00 60.65 57.98 3dvx h LYS 141 Cb 0.00 0.02 -0.09 0.00 -1.00 0.00 0.00 32.23 31.16 3dvx h LYS 141 CO 0.00 -0.06 0.37 -0.07 -2.81 0.00 0.00 179.45 176.88 3dvx h LEU 142 N -0.09 0.41 0.40 5.20 3.38 -0.92 0.12 115.31 123.80 3dvx h LEU 142 Ca 0.10 0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 3dvx h LEU 142 Cb 0.23 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 3dvx h LEU 142 CO -0.22 0.17 -0.25 0.74 0.09 0.00 0.00 178.44 178.96 3dvx h THR 143 N 0.54 0.47 -0.23 0.22 2.02 -1.69 -2.17 112.91 112.07 3dvx h THR 143 Ca 0.43 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.52 3dvx h THR 143 Cb 0.61 0.47 -0.00 0.00 -1.74 0.00 0.00 68.15 67.49 3dvx h THR 143 CO -0.37 0.00 -0.21 -0.33 0.37 0.00 0.00 175.52 174.98 3dvx h GLU 144 N -0.63 0.55 -0.67 6.66 5.08 -1.07 -0.34 114.58 124.16 3dvx h GLU 144 Ca -0.04 -0.29 -0.02 0.00 -1.00 0.00 0.00 59.36 58.02 3dvx h GLU 144 Cb 0.52 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.75 3dvx h GLU 144 CO 0.04 0.87 0.35 0.37 -1.00 0.00 0.00 179.01 179.64 3dvx h GLN 145 N 0.25 0.93 -0.26 2.33 4.15 -0.76 -2.95 115.11 118.80 3dvx h GLN 145 Ca 0.04 -0.11 0.00 0.00 0.77 0.00 0.00 58.65 59.35 3dvx h GLN 145 Cb 0.76 -0.18 0.00 0.00 0.21 0.00 0.00 27.48 28.27 3dvx h GLN 145 CO 0.05 0.70 0.00 0.66 -1.93 0.00 0.00 178.83 178.31 3dvx n TYR 146 N -4.36 0.35 -3.14 3.99 4.01 -0.82 -5.01 117.16 112.18 3dvx n TYR 146 Ca 0.06 -0.50 -0.14 0.00 -0.16 0.00 0.00 57.90 57.17 3dvx n TYR 146 Cb 0.11 -0.03 0.07 0.00 -0.31 0.00 0.00 39.34 39.18 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 0.27 -4.05 -2.89 -0.72 1.85 -0.27 -4.93 116.66 105.93 3dvx n ARG 147 Ca 0.09 0.74 -0.43 0.00 -1.00 0.00 0.00 57.85 57.25 3dvx n ARG 147 Cb 0.38 -5.35 -0.04 0.00 -1.05 0.00 0.00 32.46 26.40 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 -3.32 4.46 -0.26 8.89 -1.09 -0.45 -4.83 121.20 124.60 3dvx s ILE 148 Ca 0.18 0.12 0.09 0.00 -2.23 0.00 0.00 60.65 58.81 3dvx s ILE 148 Cb -0.02 -4.51 0.21 0.00 -1.58 0.00 0.00 42.46 36.55 3dvx s ILE 148 CO 0.64 -1.09 1.15 -0.90 -1.23 0.00 0.00 174.94 173.51 3dvx n ASP 149 N 7.27 2.53 -3.62 3.58 5.68 -1.26 -4.91 116.55 125.82 3dvx n ASP 149 Ca 0.00 -2.39 -0.13 0.00 -0.50 0.00 0.00 54.79 51.76 3dvx n ASP 149 Cb 0.47 -0.22 -0.07 0.00 -1.14 0.00 0.00 41.12 40.16 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 -1.57 -0.68 0.08 -1.12 1.04 -1.26 -5.17 113.70 105.02 3dvx s SER 150 Ca 0.18 1.28 0.08 0.00 0.48 0.00 0.00 55.95 57.97 3dvx s SER 150 Cb 0.14 1.29 -0.04 0.00 0.10 0.00 0.00 66.02 67.51 3dvx s SER 150 CO 0.05 -0.25 -0.18 0.42 0.98 0.00 0.00 173.24 174.26 3dvx s THR 151 N 0.24 2.84 0.29 2.02 -4.23 -1.26 -3.70 115.64 111.84 3dvx s THR 151 Ca -0.00 -1.35 -0.25 0.00 -1.18 0.00 0.00 61.69 58.91 3dvx s THR 151 Cb -0.05 -2.26 -0.09 0.00 1.34 0.00 0.00 72.50 71.44 3dvx s THR 151 CO 0.00 0.21 0.90 -2.16 -0.54 0.00 0.00 174.62 173.03 3dvx s PRO 152 N -1.82 4.55 -0.18 3.99 0.04 -1.26 -4.77 135.00 135.55 3dvx s PRO 152 Ca 0.17 1.26 -0.01 0.00 0.04 0.00 0.00 61.00 62.46 3dvx s PRO 152 Cb -0.11 -2.87 -0.00 0.00 0.04 0.00 0.00 34.50 31.56 3dvx s PRO 152 CO 0.08 0.33 -0.13 0.99 0.04 0.00 0.00 177.00 178.31 3dvx s THR 153 N -1.55 2.80 -0.20 1.26 2.01 -0.93 -4.96 115.64 114.07 3dvx s THR 153 Ca 0.48 -0.71 -0.02 0.00 0.31 0.00 0.00 61.69 61.75 3dvx s THR 153 Cb -0.19 -2.21 0.00 0.00 0.01 0.00 0.00 72.50 70.11 3dvx s THR 153 CO 0.24 0.49 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.87 3dvx s VAL 154 N 1.06 2.91 -0.22 3.82 1.01 -1.26 -0.99 120.40 126.73 3dvx s VAL 154 Ca -0.00 -0.65 -0.02 0.00 0.00 0.00 0.00 61.98 61.31 3dvx s VAL 154 Cb -0.15 -2.30 0.01 0.00 0.00 0.00 0.00 36.38 33.95 3dvx s VAL 154 CO -0.03 0.47 -0.09 -0.63 0.00 0.00 0.00 175.10 174.81 3dvx s ILE 155 N 1.39 2.84 -0.26 2.22 1.01 -0.40 -0.05 121.20 127.94 3dvx s ILE 155 Ca 0.05 -0.79 -0.12 0.00 0.00 0.00 0.00 60.65 59.79 3dvx s ILE 155 Cb -0.14 -2.32 -0.05 0.00 0.01 0.00 0.00 42.46 39.96 3dvx s ILE 155 CO -0.06 0.38 0.22 -0.69 0.00 0.00 0.00 174.94 174.78 3dvx s VAL 156 N 1.38 5.30 -0.37 2.92 1.01 0.41 -0.60 120.40 130.44 3dvx s VAL 156 Ca 0.04 0.26 0.00 0.00 0.00 0.00 0.00 61.98 62.27 3dvx s VAL 156 Cb -0.15 -3.55 0.00 0.00 0.00 0.00 0.00 36.38 32.68 3dvx s VAL 156 CO -0.06 0.27 0.00 0.61 0.00 0.00 0.00 175.10 175.91 3dvx n GLY 157 N 4.71 0.65 2.18 4.51 0.00 0.35 -2.85 105.19 114.74 3dvx n GLY 157 Ca -0.13 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.30 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 -2.29 2.46 0.11 -0.02 0.00 -1.26 -4.73 105.19 99.45 3dvx n GLY 158 Ca -0.03 -0.14 0.01 0.00 0.00 0.00 0.00 46.02 45.86 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 0.00 0.93 -4.01 1.61 2.85 -1.24 -2.26 118.16 116.04 3dvx n LYS 159 Ca 0.00 -1.07 -0.30 0.00 -1.05 0.00 0.00 58.31 55.89 3dvx n LYS 159 Cb 0.00 -1.05 -0.16 0.00 -0.65 0.00 0.00 35.03 33.17 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 -0.55 2.22 -0.15 5.58 2.02 -1.13 -1.85 117.35 123.49 3dvx s TYR 160 Ca 0.03 -1.29 -0.18 0.00 -0.37 0.00 0.00 57.07 55.26 3dvx s TYR 160 Cb 0.02 -1.61 -0.04 0.00 -0.40 0.00 0.00 41.96 39.94 3dvx s TYR 160 CO 0.03 -0.69 0.49 0.50 -1.57 0.00 0.00 175.55 174.31 3dvx s ARG 161 N 1.47 4.29 0.15 -0.62 6.06 0.20 -0.45 118.95 130.05 3dvx s ARG 161 Ca 0.04 0.43 -0.30 0.00 -2.50 0.00 0.00 55.73 53.40 3dvx s ARG 161 Cb -0.13 -3.48 -0.07 0.00 0.06 0.00 0.00 34.95 31.33 3dvx s ARG 161 CO -0.10 0.05 1.12 0.08 -2.50 0.00 0.00 175.30 173.94 3dvx s VAL 162 N 0.98 3.94 -0.24 7.11 1.01 0.92 -1.19 120.40 132.93 3dvx s VAL 162 Ca 0.25 1.59 -0.07 0.00 0.00 0.00 0.00 61.98 63.76 3dvx s VAL 162 Cb -0.15 -4.02 -0.03 0.00 0.00 0.00 0.00 36.38 32.18 3dvx s VAL 162 CO 0.10 0.24 0.05 -0.63 0.00 0.00 0.00 175.10 174.86 3dvx s ILE 163 N 0.08 4.20 -0.45 2.22 -1.09 0.15 -4.73 121.20 121.59 3dvx s ILE 163 Ca 0.51 -0.21 -0.04 0.00 -2.23 0.00 0.00 60.65 58.68 3dvx s ILE 163 Cb -0.29 -2.96 0.01 0.00 -1.58 0.00 0.00 42.46 37.65 3dvx s ILE 163 CO 0.34 0.35 2.88 0.49 -1.23 0.00 0.00 174.94 177.77 3dvx n PHE 164 N 4.85 1.43 0.31 3.97 3.72 -1.26 -4.71 117.46 125.77 3dvx n PHE 164 Ca -0.16 -1.94 0.19 0.00 -0.05 0.00 0.00 57.45 55.48 3dvx n PHE 164 Cb 0.51 -1.46 1.05 0.00 -0.94 0.00 0.00 39.48 38.65 3dvx n PHE 164 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 176.76 175.80 3dvx h ASN 165 N 3.13 0.00 -1.59 4.37 2.35 -1.92 -2.24 115.58 119.68 3dvx h ASN 165 Ca 0.39 0.00 -0.55 0.00 -0.55 0.00 0.00 56.30 55.59 3dvx h ASN 165 Cb 0.81 0.00 -0.42 0.00 0.05 0.00 0.00 38.32 38.76 3dvx h ASN 165 CO 0.83 0.00 -0.80 -0.46 -1.65 0.00 0.00 177.43 175.34 3dvx n ASN 166 N -3.46 4.04 0.00 5.81 0.23 -1.26 -5.09 115.26 115.53 3dvx n ASN 166 Ca -0.03 -3.54 0.00 0.00 -0.53 0.00 0.00 54.58 50.49 3dvx n ASN 166 Cb 0.10 -0.49 0.00 0.00 -2.08 0.00 0.00 39.78 37.31 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 -0.35 -1.23 0.30 4.83 0.00 -0.84 -3.49 105.19 104.41 3dvx n GLY 167 Ca 0.33 -1.55 -0.08 0.00 0.00 0.00 0.00 46.02 44.72 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 1.08 -1.00 1.61 -1.00 -1.99 -2.02 116.94 113.62 3dvx h PHE 168 Ca 0.00 -0.17 0.12 0.00 2.81 0.00 0.00 57.97 60.72 3dvx h PHE 168 Cb 0.00 -0.29 -0.08 0.00 3.61 0.00 0.00 35.95 39.19 3dvx h PHE 168 CO 0.00 0.96 0.63 0.38 -1.61 0.00 0.00 178.31 178.67 3dvx h ASP 169 N 0.92 0.93 0.91 2.17 2.03 -1.97 -0.58 116.42 120.83 3dvx h ASP 169 Ca 0.17 0.05 0.00 0.00 -0.73 0.00 0.00 57.03 56.52 3dvx h ASP 169 Cb 0.52 -0.14 0.00 0.00 -0.83 0.00 0.00 39.33 38.88 3dvx h ASP 169 CO 0.03 0.50 0.00 1.23 -1.03 0.00 0.00 179.24 179.97 3dvx h GLY 170 N 1.00 0.00 2.00 7.15 0.00 -1.41 -3.18 103.07 108.63 3dvx h GLY 170 Ca 0.49 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.82 3dvx h GLY 170 CO -0.26 0.00 0.00 -1.33 0.00 0.00 0.00 176.54 174.95 3dvx h GLY 171 N 2.13 0.00 0.86 4.60 0.00 -0.73 -3.30 103.07 106.63 3dvx h GLY 171 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 3dvx h GLY 171 CO 0.00 0.00 0.04 -0.39 0.00 0.00 0.00 176.54 176.19 3dvx h VAL 172 N 0.00 1.15 -0.01 4.60 -1.51 -1.59 0.14 116.25 119.04 3dvx h VAL 172 Ca 0.00 -0.46 0.00 0.00 -1.23 0.00 0.00 66.70 65.01 3dvx h VAL 172 Cb 0.82 1.28 0.00 0.00 -2.13 0.00 0.00 31.29 31.26 3dvx h VAL 172 CO 0.00 0.13 0.00 1.41 -1.23 0.00 0.00 177.57 177.88 3dvx n HIS 173 N -4.92 0.01 -0.04 5.19 8.25 -1.24 -1.65 115.22 120.81 3dvx n HIS 173 Ca -0.06 -0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.18 3dvx n HIS 173 Cb 0.12 0.00 -0.13 0.00 1.12 0.00 0.00 29.99 31.10 3dvx n HIS 173 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 3dvx n THR 174 N -0.78 1.68 -0.25 1.59 -1.04 -0.85 -3.88 114.28 110.75 3dvx n THR 174 Ca 0.17 -0.44 0.04 0.00 -2.04 0.00 0.00 64.05 61.77 3dvx n THR 174 Cb 0.09 -1.82 0.27 0.00 -1.82 0.00 0.00 70.33 67.05 3dvx n THR 174 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 3dvx h ILE 175 N -0.32 1.09 -0.18 12.58 2.04 -0.09 0.19 117.51 132.83 3dvx h ILE 175 Ca -0.42 -0.33 -0.07 0.00 1.00 0.00 0.00 64.86 65.04 3dvx h ILE 175 Cb 1.78 0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 37.89 3dvx h ILE 175 CO -0.04 0.18 -0.20 0.11 0.00 0.00 0.00 178.15 178.19 3dvx h LYS 176 N 0.96 0.31 0.08 2.37 1.57 -1.49 -2.01 116.57 118.35 3dvx h LYS 176 Ca 0.34 -0.09 -0.25 0.00 -1.87 0.00 0.00 60.65 58.77 3dvx h LYS 176 Cb 0.12 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.40 3dvx h LYS 176 CO -0.11 0.50 -1.11 0.93 -0.57 0.00 0.00 179.45 179.09 3dvx h GLU 177 N 0.28 0.30 -0.74 3.15 4.39 -1.38 -3.03 114.58 117.55 3dvx h GLU 177 Ca 0.05 -0.43 -0.02 0.00 0.34 0.00 0.00 59.36 59.30 3dvx h GLU 177 Cb 0.52 0.15 -0.04 0.00 -0.10 0.00 0.00 28.75 29.28 3dvx h GLU 177 CO 0.03 1.16 0.38 -0.07 -1.16 0.00 0.00 179.01 179.35 3dvx h LEU 178 N 0.12 0.93 -1.12 1.33 3.38 -0.58 -0.18 115.31 119.19 3dvx h LEU 178 Ca -0.11 -0.09 -0.08 0.00 0.09 0.00 0.00 57.88 57.70 3dvx h LEU 178 Cb 1.80 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 42.30 3dvx h LEU 178 CO 0.18 0.77 -0.20 -0.37 0.09 0.00 0.00 178.44 178.91 3dvx h VAL 179 N 1.04 1.24 -0.05 1.22 -1.51 -1.39 -0.49 116.25 116.31 3dvx h VAL 179 Ca 0.26 -1.09 -0.12 0.00 -1.23 0.00 0.00 66.70 64.52 3dvx h VAL 179 Cb 0.06 1.30 -0.01 0.00 -2.13 0.00 0.00 31.29 30.50 3dvx h VAL 179 CO -0.04 0.34 -0.51 0.00 -1.23 0.00 0.00 177.57 176.14 3dvx h ALA 180 N 1.45 1.07 -0.12 5.19 0.00 -1.24 -0.44 119.26 125.17 3dvx h ALA 180 Ca 0.06 -0.47 -0.11 0.00 0.00 0.00 0.00 54.91 54.39 3dvx h ALA 180 Cb 0.55 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3dvx h ALA 180 CO 0.04 0.65 -0.34 -0.22 0.00 0.00 0.00 179.25 179.38 3dvx h LYS 181 N 0.10 0.45 -0.48 0.00 3.64 -0.25 -1.90 116.57 118.11 3dvx h LYS 181 Ca 0.00 -0.32 -0.11 0.00 -1.27 0.00 0.00 60.65 58.96 3dvx h LYS 181 Cb 0.93 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.79 3dvx h LYS 181 CO 0.07 0.94 -0.12 0.28 -2.27 0.00 0.00 179.45 178.34 3dvx h VAL 182 N 0.03 1.26 0.02 2.00 2.07 -1.06 -1.75 116.25 118.84 3dvx h VAL 182 Ca -0.01 -1.24 0.01 0.00 0.82 0.00 0.00 66.70 66.28 3dvx h VAL 182 Cb 0.96 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.74 3dvx h VAL 182 CO 0.07 0.43 -0.07 -0.09 0.02 0.00 0.00 177.57 177.94 3dvx h ARG 183 N 0.81 -0.13 -0.01 1.57 2.43 -1.03 0.15 114.38 118.16 3dvx h ARG 183 Ca 0.13 0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.28 3dvx h ARG 183 Cb 0.65 0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 30.23 3dvx h ARG 183 CO 0.05 -0.09 -0.11 0.93 -1.51 0.00 0.00 179.97 179.24 3dvx h GLU 184 N -0.13 0.01 -0.17 0.20 4.39 -1.23 -0.36 114.58 117.28 3dvx h GLU 184 Ca 0.02 -0.00 -0.19 0.00 0.34 0.00 0.00 59.36 59.53 3dvx h GLU 184 Cb 0.16 -0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.80 3dvx h GLU 184 CO -0.05 0.12 -0.64 0.93 -1.16 0.00 0.00 179.01 178.20 3dvx h GLU 185 N 0.01 0.64 -0.32 2.33 5.08 -0.71 -3.24 114.58 118.37 3dvx h GLU 185 Ca 0.00 -0.46 -0.08 0.00 -1.00 0.00 0.00 59.36 57.82 3dvx h GLU 185 Cb 0.21 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 3dvx h GLU 185 CO 0.01 1.08 -0.13 0.00 -1.00 0.00 0.00 179.01 178.97 3dvx h ARG 186 N 0.47 0.65 -6.34 2.33 3.08 0.02 -3.47 114.38 111.12 3dvx h ARG 186 Ca -0.01 -0.27 -0.63 0.00 0.07 0.00 0.00 59.98 59.14 3dvx h ARG 186 Cb 1.23 -0.02 0.11 0.00 0.08 0.00 0.00 29.97 31.36 3dvx h ARG 186 CO 0.13 0.86 -0.03 1.17 -1.07 0.00 0.00 179.97 181.02 3dvx n LYS 187 N -4.39 0.99 -3.14 0.04 4.81 -0.22 -5.00 118.16 111.25 3dvx n LYS 187 Ca -0.03 0.35 -0.21 0.00 -0.87 0.00 0.00 58.31 57.54 3dvx n LYS 187 Cb 0.37 -1.63 0.01 0.00 0.02 0.00 0.00 35.03 33.79 3dvx n LYS 187 CO 0.00 0.00 0.00 -0.98 1.17 0.00 0.00 177.40 177.59 3dvx s ARG 188 N -1.32 3.06 0.00 1.64 1.04 -1.26 -5.03 118.95 117.08 3dvx s ARG 188 Ca 0.61 -0.68 0.00 0.00 -1.04 0.00 0.00 55.73 54.62 3dvx s ARG 188 Cb -0.77 -2.65 0.00 0.00 -2.04 0.00 0.00 34.95 29.49 3dvx s ARG 188 CO 0.58 -0.17 0.00 1.04 -0.04 0.00 0.00 175.30 176.71 3dvx n GLN 189 N -1.94 3.56 0.00 3.89 1.13 -1.26 -5.23 117.38 117.53 3dvx n GLN 189 Ca 0.01 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.07 3dvx n GLN 189 Cb 0.58 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.93 3dvx n GLN 189 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87