#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dkw n GLU 2 N 0.00 0.00 -0.35 3.17 4.71 -1.26 -3.70 120.64 123.21 3dkw n GLU 2 Ca 0.00 0.00 0.29 0.00 -0.01 0.00 0.00 57.16 57.44 3dkw n GLU 2 Cb 0.00 0.00 0.47 0.00 -1.01 0.00 0.00 31.44 30.90 3dkw n GLU 2 CO 0.00 0.00 0.00 1.19 0.09 0.00 0.00 177.13 178.41 3dkw n PHE 3 N 0.00 0.37 0.27 -0.32 3.72 -1.26 0.84 117.46 121.09 3dkw n PHE 3 Ca 0.00 0.38 0.11 0.00 -0.05 0.00 0.00 57.45 57.88 3dkw n PHE 3 Cb 0.00 -0.76 0.72 0.00 -0.94 0.00 0.00 39.48 38.51 3dkw n PHE 3 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 176.76 178.67 3dkw h GLN 4 N 0.00 0.00 0.00 -1.08 4.20 -1.99 0.28 115.11 116.53 3dkw h GLN 4 Ca 0.59 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.30 3dkw h GLN 4 Cb 2.02 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.80 3dkw h GLN 4 CO -0.25 0.05 0.00 0.54 -0.67 0.00 0.00 178.83 178.50 3dkw n ARG 5 N -4.13 0.63 0.00 1.46 1.74 0.25 -3.65 116.66 112.95 3dkw n ARG 5 Ca -0.03 0.01 0.00 0.00 -0.77 0.00 0.00 57.85 57.06 3dkw n ARG 5 Cb 0.14 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.08 3dkw n ARG 5 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3dkw n VAL 6 N -1.18 0.00 0.11 1.55 0.31 0.27 -4.69 118.33 114.70 3dkw n VAL 6 Ca 0.17 0.00 -0.04 0.00 -0.01 0.00 0.00 64.34 64.47 3dkw n VAL 6 Cb 0.19 -0.33 0.09 0.00 -0.91 0.00 0.00 33.84 32.88 3dkw n VAL 6 CO 0.00 0.00 0.00 0.45 -1.32 0.00 0.00 176.83 175.96 3dkw h HIS 7 N 0.00 0.08 0.00 3.52 3.86 -0.74 -3.08 115.15 118.79 3dkw h HIS 7 Ca 0.00 -0.04 -0.01 0.00 -1.16 0.00 0.00 60.37 59.17 3dkw h HIS 7 Cb 0.42 -0.01 -0.00 0.00 1.06 0.00 0.00 27.41 28.88 3dkw h HIS 7 CO 0.00 0.75 -0.02 1.96 0.86 0.00 0.00 177.93 181.48 3dkw h GLN 8 N 0.04 0.00 0.00 2.45 4.20 -1.77 -2.34 115.11 117.69 3dkw h GLN 8 Ca -0.01 0.00 -0.22 0.00 0.06 0.00 0.00 58.65 58.48 3dkw h GLN 8 Cb 1.27 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 29.02 3dkw h GLN 8 CO 0.10 0.02 -1.20 1.96 -0.67 0.00 0.00 178.83 179.04 3dkw h GLN 9 N 0.00 0.00 0.01 1.46 4.20 -1.81 -3.11 115.11 115.85 3dkw h GLN 9 Ca -0.00 0.00 -0.27 0.00 0.06 0.00 0.00 58.65 58.44 3dkw h GLN 9 Cb 0.70 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.44 3dkw h GLN 9 CO 0.00 0.70 -1.52 1.25 -0.67 0.00 0.00 178.83 178.59 3dkw h LEU 10 N 0.00 0.02 0.00 1.46 5.85 -1.52 -3.32 115.31 117.79 3dkw h LEU 10 Ca -0.11 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.58 3dkw h LEU 10 Cb 1.78 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.80 3dkw h LEU 10 CO 0.10 1.03 -0.16 0.18 -0.34 0.00 0.00 178.44 179.24 3dkw n LEU 11 N -3.14 0.52 0.24 2.25 4.77 -0.89 -3.45 117.00 117.30 3dkw n LEU 11 Ca -0.13 0.43 0.12 0.00 -0.03 0.00 0.00 56.01 56.41 3dkw n LEU 11 Cb 1.02 -0.34 0.59 0.00 -2.33 0.00 0.00 43.42 42.36 3dkw n LEU 11 CO 0.46 -0.07 0.88 -0.61 -1.33 0.00 0.00 177.39 176.72 3dkw h GLN 12 N 0.00 0.00 0.00 3.23 5.75 -1.64 -2.51 115.11 119.94 3dkw h GLN 12 Ca 0.00 0.00 -0.08 0.00 -0.15 0.00 0.00 58.65 58.42 3dkw h GLN 12 Cb 0.64 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.18 3dkw h GLN 12 CO 0.00 0.16 -0.39 0.66 -2.65 0.00 0.00 178.83 176.61 3dkw h SER 13 N 0.00 0.00 -4.28 -0.69 4.64 -1.76 -3.39 113.55 108.07 3dkw h SER 13 Ca -0.00 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 60.81 3dkw h SER 13 Cb 0.58 0.00 0.12 0.00 -0.31 0.00 0.00 62.40 62.78 3dkw h SER 13 CO 0.02 0.39 0.34 -2.28 -0.87 0.00 0.00 176.83 174.43 3dkw s HIS 14 N -3.25 2.68 -0.15 4.77 5.65 -0.94 -4.96 115.29 119.08 3dkw s HIS 14 Ca 0.03 1.54 0.15 0.00 0.25 0.00 0.00 55.06 57.02 3dkw s HIS 14 Cb 0.09 -3.05 0.03 0.00 -1.18 0.00 0.00 32.58 28.46 3dkw s HIS 14 CO 0.71 -1.67 1.34 1.12 -0.65 0.00 0.00 174.74 175.59 3dkw h HIS 15 N -0.72 0.00 -0.01 3.88 2.07 -1.88 -2.97 115.15 115.53 3dkw h HIS 15 Ca -0.44 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.08 3dkw h HIS 15 Cb 1.23 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.21 3dkw h HIS 15 CO 0.58 0.51 -0.26 1.28 -3.07 0.00 0.00 177.93 176.97 3dkw n LEU 16 N -3.16 0.78 0.00 6.12 4.77 -1.26 -4.06 117.00 120.18 3dkw n LEU 16 Ca 0.00 -0.13 0.00 0.00 -0.03 0.00 0.00 56.01 55.85 3dkw n LEU 16 Cb 0.75 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.67 3dkw n LEU 16 CO 0.41 0.15 0.08 0.49 -1.33 0.00 0.00 177.39 177.19 3dkw n PHE 17 N -0.90 0.00 0.06 -1.77 3.01 -1.24 -4.80 117.46 111.82 3dkw n PHE 17 Ca 0.11 0.00 -0.12 0.00 1.01 0.00 0.00 57.45 58.45 3dkw n PHE 17 Cb 0.33 0.00 -0.09 0.00 -0.01 0.00 0.00 39.48 39.72 3dkw n PHE 17 CO 0.00 0.00 0.00 1.49 1.01 0.00 0.00 176.76 179.26 3dkw h GLU 18 N 0.00 -0.19 -0.39 -1.08 4.81 -1.66 -3.09 114.58 112.98 3dkw h GLU 18 Ca 0.00 0.01 0.11 0.00 -0.13 0.00 0.00 59.36 59.36 3dkw h GLU 18 Cb 0.06 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.47 3dkw h GLU 18 CO 0.00 0.23 0.44 -1.35 -0.73 0.00 0.00 179.01 177.60 3dkw h PRO 19 N -0.70 0.00 -6.31 0.92 0.11 -1.87 -3.40 132.00 120.75 3dkw h PRO 19 Ca -0.02 0.00 -0.55 0.00 0.11 0.00 0.00 66.00 65.54 3dkw h PRO 19 Cb 0.51 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.60 3dkw h PRO 19 CO 0.03 0.00 0.71 -0.51 -0.21 0.00 0.00 178.00 178.02 3dkw s LEU 20 N -7.32 4.28 0.00 2.35 1.43 -1.17 -4.95 118.68 113.29 3dkw s LEU 20 Ca -0.04 1.81 -0.03 0.00 -1.03 0.00 0.00 54.13 54.85 3dkw s LEU 20 Cb 0.15 -3.56 0.05 0.00 0.03 0.00 0.00 46.19 42.86 3dkw s LEU 20 CO 0.53 -0.59 0.31 -1.54 0.23 0.00 0.00 176.35 175.29 3dkw n SER 21 N 5.23 0.16 0.18 2.29 3.41 -1.26 -4.66 113.62 118.97 3dkw n SER 21 Ca 0.11 -1.20 0.00 0.00 -0.26 0.00 0.00 58.87 57.52 3dkw n SER 21 Cb 0.46 -0.22 0.00 0.00 -0.26 0.00 0.00 64.21 64.19 3dkw n SER 21 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 3dkw n PRO 22 N -1.62 0.02 -0.36 4.33 -0.02 -1.26 0.93 135.00 137.01 3dkw n PRO 22 Ca 0.04 0.52 -0.01 0.00 -2.02 0.00 0.00 63.50 62.03 3dkw n PRO 22 Cb 0.15 -1.70 0.13 0.00 -0.02 0.00 0.00 33.50 32.06 3dkw n PRO 22 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3dkw h VAL 23 N 0.00 1.23 0.00 -1.45 2.07 -2.00 -2.77 116.25 113.33 3dkw h VAL 23 Ca 0.00 -0.45 0.00 0.00 0.82 0.00 0.00 66.70 67.07 3dkw h VAL 23 Cb 1.24 -0.20 0.00 0.00 -1.52 0.00 0.00 31.29 30.82 3dkw h VAL 23 CO 0.00 0.24 0.35 1.67 0.02 0.00 0.00 177.57 179.85 3dkw n GLN 24 N -4.40 0.00 0.06 1.57 7.27 0.26 0.14 117.38 122.28 3dkw n GLN 24 Ca 0.12 0.00 -0.14 0.00 0.07 0.00 0.00 57.00 57.06 3dkw n GLN 24 Cb 0.04 -1.58 -0.04 0.00 2.41 0.00 0.00 30.24 31.07 3dkw n GLN 24 CO 0.00 0.00 0.00 -0.07 0.07 0.00 0.00 177.06 177.06 3dkw h LEU 25 N 0.00 0.57 -1.13 1.69 4.07 -1.73 -2.94 115.31 115.85 3dkw h LEU 25 Ca 0.00 -0.45 -0.01 0.00 0.08 0.00 0.00 57.88 57.50 3dkw h LEU 25 Cb 0.70 -0.17 -0.00 0.00 1.08 0.00 0.00 40.66 42.26 3dkw h LEU 25 CO 0.00 1.24 -0.05 0.06 -1.08 0.00 0.00 178.44 178.61 3dkw h GLN 26 N 0.26 0.00 0.05 1.13 3.07 0.97 -2.61 115.11 117.97 3dkw h GLN 26 Ca -0.08 0.00 -0.11 0.00 0.09 0.00 0.00 58.65 58.56 3dkw h GLN 26 Cb 1.55 0.00 0.00 0.00 0.08 0.00 0.00 27.48 29.11 3dkw h GLN 26 CO 0.16 0.05 -0.52 1.49 0.09 0.00 0.00 178.83 180.11 3dkw h GLU 27 N 0.00 0.10 -0.69 0.06 4.81 -1.67 -3.22 114.58 113.98 3dkw h GLU 27 Ca -0.00 -0.18 -0.03 0.00 -0.13 0.00 0.00 59.36 59.02 3dkw h GLU 27 Cb 0.65 0.07 -0.03 0.00 0.63 0.00 0.00 28.75 30.07 3dkw h GLU 27 CO 0.01 1.09 0.32 -0.07 -0.73 0.00 0.00 179.01 179.62 3dkw h LEU 28 N -0.76 0.91 -0.62 1.64 3.38 -1.53 0.10 115.31 118.43 3dkw h LEU 28 Ca -0.11 -0.14 0.07 0.00 0.09 0.00 0.00 57.88 57.79 3dkw h LEU 28 Cb 1.29 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 41.74 3dkw h LEU 28 CO 0.02 0.80 0.30 0.25 0.09 0.00 0.00 178.44 179.90 3dkw h LEU 29 N 0.96 0.39 -0.70 1.67 5.85 -1.61 0.25 115.31 122.13 3dkw h LEU 29 Ca 0.23 0.05 -0.05 0.00 0.84 0.00 0.00 57.88 58.96 3dkw h LEU 29 Cb 0.14 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 3dkw h LEU 29 CO -0.03 0.25 -0.23 0.00 -0.34 0.00 0.00 178.44 178.09 3dkw h ALA 30 N 1.37 0.93 -0.72 1.25 0.00 -1.49 -2.88 119.26 117.71 3dkw h ALA 30 Ca 0.29 -0.20 -0.23 0.00 0.00 0.00 0.00 54.91 54.77 3dkw h ALA 30 Cb 0.27 -0.04 -0.14 0.00 0.00 0.00 0.00 17.79 17.89 3dkw h ALA 30 CO -0.23 0.28 0.29 0.45 0.00 0.00 0.00 179.25 180.04 3dkw n SER 31 N -3.27 4.58 -2.33 0.00 2.88 0.32 -4.73 113.62 111.08 3dkw n SER 31 Ca 0.01 -3.16 -0.12 0.00 -1.33 0.00 0.00 58.87 54.27 3dkw n SER 31 Cb 0.50 -0.74 -0.11 0.00 -0.75 0.00 0.00 64.21 63.12 3dkw n SER 31 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 3dkw n SER 32 N -0.19 4.36 -3.64 -3.46 3.41 0.64 -4.42 113.62 110.31 3dkw n SER 32 Ca 0.40 -2.26 -0.27 0.00 -0.26 0.00 0.00 58.87 56.47 3dkw n SER 32 Cb 1.35 -1.09 -0.11 0.00 -0.26 0.00 0.00 64.21 64.10 3dkw n SER 32 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3dkw n ASP 33 N 2.87 1.50 -4.72 4.04 8.00 -1.26 -5.10 116.55 121.87 3dkw n ASP 33 Ca 0.37 -2.86 -0.42 0.00 0.71 0.00 0.00 54.79 52.59 3dkw n ASP 33 Cb 0.59 -0.66 -0.03 0.00 -0.02 0.00 0.00 41.12 41.00 3dkw n ASP 33 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3dkw s LEU 34 N -0.87 4.38 -0.26 0.64 2.96 -1.26 -3.56 118.68 120.71 3dkw s LEU 34 Ca 0.29 2.34 -0.05 0.00 -0.22 0.00 0.00 54.13 56.49 3dkw s LEU 34 Cb 0.01 -3.59 0.01 0.00 0.50 0.00 0.00 46.19 43.11 3dkw s LEU 34 CO -0.17 -0.62 0.02 -0.69 -1.32 0.00 0.00 176.35 173.56 3dkw s VAL 35 N 0.89 3.60 -0.28 1.68 1.01 0.81 -5.00 120.40 123.11 3dkw s VAL 35 Ca 0.63 -0.68 -0.05 0.00 0.00 0.00 0.00 61.98 61.88 3dkw s VAL 35 Cb -0.37 -2.79 0.02 0.00 0.00 0.00 0.00 36.38 33.24 3dkw s VAL 35 CO 0.32 0.21 0.03 0.20 0.00 0.00 0.00 175.10 175.85 3dkw s ASN 36 N 1.46 4.83 0.12 3.32 0.01 -1.26 -1.15 114.94 122.27 3dkw s ASN 36 Ca 0.03 -0.84 0.10 0.00 -0.71 0.00 0.00 52.86 51.44 3dkw s ASN 36 Cb -0.16 -1.79 -0.04 0.00 0.41 0.00 0.00 41.25 39.67 3dkw s ASN 36 CO -0.00 -0.18 -0.25 -0.76 -1.51 0.00 0.00 177.10 174.39 3dkw s LEU 37 N 1.41 2.31 0.00 0.60 1.43 -1.07 -5.04 118.68 118.32 3dkw s LEU 37 Ca 0.01 -0.73 0.00 0.00 -1.03 0.00 0.00 54.13 52.38 3dkw s LEU 37 Cb -0.17 -1.13 0.00 0.00 0.03 0.00 0.00 46.19 44.92 3dkw s LEU 37 CO -0.00 0.15 0.00 0.47 0.23 0.00 0.00 176.35 177.20 3dkw n ASP 38 N 0.99 0.27 -4.71 2.29 8.00 -1.26 -1.35 116.55 120.77 3dkw n ASP 38 Ca -0.18 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 54.90 3dkw n ASP 38 Cb 0.53 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.60 3dkw n ASP 38 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 3dkw s LYS 39 N 2.83 4.35 -0.34 -1.24 2.20 -1.26 -3.40 119.74 122.88 3dkw s LYS 39 Ca 0.00 2.00 -0.01 0.00 -0.36 0.00 0.00 55.97 57.59 3dkw s LYS 39 Cb 0.00 -3.28 0.00 0.00 -1.51 0.00 0.00 37.83 33.04 3dkw s LYS 39 CO 0.00 -0.40 0.29 0.41 -0.36 0.00 0.00 175.35 175.29 3dkw n GLY 40 N 3.43 0.43 3.26 5.54 0.00 -0.86 -5.03 105.19 111.95 3dkw n GLY 40 Ca 0.11 -0.39 -0.29 0.00 0.00 0.00 0.00 46.02 45.45 3dkw n GLY 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dkw s ALA 41 N -3.09 1.92 -0.01 4.61 0.00 -1.22 -4.98 121.76 118.99 3dkw s ALA 41 Ca 0.09 -0.99 -0.15 0.00 0.00 0.00 0.00 51.96 50.91 3dkw s ALA 41 Cb -0.04 -0.50 -0.06 0.00 0.00 0.00 0.00 23.12 22.53 3dkw s ALA 41 CO 0.19 0.46 0.41 0.71 0.00 0.00 0.00 175.76 177.54 3dkw s TYR 42 N -0.51 3.71 -0.18 0.00 1.51 -1.26 -1.52 117.35 119.09 3dkw s TYR 42 Ca 0.08 0.99 -0.20 0.00 -1.01 0.00 0.00 57.07 56.93 3dkw s TYR 42 Cb -0.09 -2.31 -0.17 0.00 -0.11 0.00 0.00 41.96 39.27 3dkw s TYR 42 CO -0.01 0.60 0.24 0.28 -1.11 0.00 0.00 175.55 175.56 3dkw h VAL 43 N 3.79 0.90 -2.39 0.71 2.07 -1.80 -3.48 116.25 116.05 3dkw h VAL 43 Ca -0.51 -1.99 -0.06 0.00 0.82 0.00 0.00 66.70 64.96 3dkw h VAL 43 Cb 1.22 2.01 -0.24 0.00 -1.52 0.00 0.00 31.29 32.75 3dkw h VAL 43 CO 0.63 0.30 -0.17 0.72 0.02 0.00 0.00 177.57 179.07 3dkw s PHE 44 N -2.29 -0.79 0.58 1.57 -0.71 -1.25 -5.01 117.98 110.08 3dkw s PHE 44 Ca -0.24 1.63 -0.06 0.00 -1.04 0.00 0.00 56.93 57.22 3dkw s PHE 44 Cb 0.04 0.42 -0.00 0.00 -1.21 0.00 0.00 43.02 42.26 3dkw s PHE 44 CO 0.53 -0.42 0.91 1.03 -1.34 0.00 0.00 175.22 175.92 3dkw s ARG 45 N 1.53 3.05 -0.20 1.99 0.52 -1.26 -1.17 118.95 123.40 3dkw s ARG 45 Ca -0.10 0.10 -0.29 0.00 -0.52 0.00 0.00 55.73 54.93 3dkw s ARG 45 Cb -0.07 -2.26 -0.00 0.00 0.52 0.00 0.00 34.95 33.14 3dkw s ARG 45 CO -0.16 -0.64 1.17 -1.14 0.02 0.00 0.00 175.30 174.55 3dkw s GLN 46 N -4.99 4.24 0.00 3.54 0.74 -1.26 -2.99 119.66 118.93 3dkw s GLN 46 Ca 0.53 1.52 0.00 0.00 0.05 0.00 0.00 55.36 57.46 3dkw s GLN 46 Cb -0.11 -3.71 0.00 0.00 1.10 0.00 0.00 33.01 30.29 3dkw s GLN 46 CO 0.46 -0.68 0.00 0.41 -0.55 0.00 0.00 175.29 174.93 3dkw n GLY 47 N 3.50 2.27 3.77 2.59 0.00 -1.26 -5.03 105.19 111.03 3dkw n GLY 47 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 3dkw n GLY 47 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3dkw s GLU 48 N -0.16 4.35 0.30 1.61 2.02 -1.16 -4.78 118.70 120.88 3dkw s GLU 48 Ca 0.00 1.91 -0.30 0.00 0.02 0.00 0.00 54.97 56.61 3dkw s GLU 48 Cb 0.00 -2.96 -0.12 0.00 0.10 0.00 0.00 34.13 31.16 3dkw s GLU 48 CO 0.00 -0.09 1.57 -2.30 0.02 0.00 0.00 175.26 174.46 3dkw n PRO 49 N 0.65 2.65 -2.69 0.39 -0.02 -1.26 -2.30 135.00 132.43 3dkw n PRO 49 Ca 0.01 0.94 -0.42 0.00 -2.02 0.00 0.00 63.50 62.01 3dkw n PRO 49 Cb 0.45 -2.71 -0.03 0.00 -0.02 0.00 0.00 33.50 31.19 3dkw n PRO 49 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3dkw s ALA 50 N -0.19 3.18 0.00 3.55 0.00 0.22 -4.83 121.76 123.70 3dkw s ALA 50 Ca 0.63 0.56 0.00 0.00 0.00 0.00 0.00 51.96 53.14 3dkw s ALA 50 Cb -0.50 -3.35 0.00 0.00 0.00 0.00 0.00 23.12 19.27 3dkw s ALA 50 CO 0.51 -0.25 0.00 0.72 0.00 0.00 0.00 175.76 176.74 3dkw n HIS 51 N 3.93 0.00 -3.52 0.00 8.25 -1.26 -4.91 115.22 117.70 3dkw n HIS 51 Ca 0.06 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.34 3dkw n HIS 51 Cb 0.51 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.56 3dkw n HIS 51 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3dkw s ALA 52 N -1.28 -1.76 0.57 -1.41 0.00 -1.26 -0.48 121.76 116.14 3dkw s ALA 52 Ca 0.00 1.32 0.04 0.00 0.00 0.00 0.00 51.96 53.32 3dkw s ALA 52 Cb 0.00 -0.01 0.06 0.00 0.00 0.00 0.00 23.12 23.17 3dkw s ALA 52 CO 0.00 -0.37 0.79 -0.59 0.00 0.00 0.00 175.76 175.59 3dkw s PHE 53 N -1.17 2.18 0.11 0.00 -0.71 -0.73 -4.91 117.98 112.75 3dkw s PHE 53 Ca -0.11 -0.34 0.07 0.00 -1.04 0.00 0.00 56.93 55.52 3dkw s PHE 53 Cb -0.00 -2.60 -0.04 0.00 -1.21 0.00 0.00 43.02 39.17 3dkw s PHE 53 CO 0.10 -1.05 -0.17 0.71 -1.34 0.00 0.00 175.22 173.46 3dkw s TYR 54 N -2.74 1.57 -0.11 3.49 1.51 -1.24 -2.15 117.35 117.68 3dkw s TYR 54 Ca 0.60 -0.47 0.02 0.00 -1.01 0.00 0.00 57.07 56.21 3dkw s TYR 54 Cb -0.08 -0.84 0.01 0.00 -0.11 0.00 0.00 41.96 40.94 3dkw s TYR 54 CO 0.39 0.18 -0.17 -0.47 -1.11 0.00 0.00 175.55 174.37 3dkw s TYR 55 N -1.60 2.16 0.05 2.71 6.14 -0.99 -2.73 117.35 123.10 3dkw s TYR 55 Ca 0.07 -1.02 -0.23 0.00 0.64 0.00 0.00 57.07 56.53 3dkw s TYR 55 Cb -0.08 -1.52 -0.06 0.00 0.42 0.00 0.00 41.96 40.72 3dkw s TYR 55 CO 0.04 -0.50 0.69 -1.17 0.64 0.00 0.00 175.55 175.25 3dkw s LEU 56 N 0.88 4.47 -0.10 6.97 2.96 -1.09 -1.89 118.68 130.88 3dkw s LEU 56 Ca -0.08 1.36 -0.07 0.00 -0.22 0.00 0.00 54.13 55.12 3dkw s LEU 56 Cb -0.15 -3.10 -0.02 0.00 0.50 0.00 0.00 46.19 43.41 3dkw s LEU 56 CO -0.01 0.10 -0.15 -0.38 -1.32 0.00 0.00 176.35 174.60 3dkw n ILE 57 N 2.47 0.92 -3.73 6.68 2.08 -0.48 -2.66 119.36 124.63 3dkw n ILE 57 Ca -0.05 0.31 -0.13 0.00 0.56 0.00 0.00 62.75 63.43 3dkw n ILE 57 Cb 0.50 -2.06 -0.14 0.00 -0.75 0.00 0.00 39.64 37.19 3dkw n ILE 57 CO 0.00 0.00 0.00 -0.94 0.56 0.00 0.00 176.55 176.17 3dkw s SER 58 N -5.01 -0.08 0.00 4.38 1.04 -1.26 -3.18 113.70 109.59 3dkw s SER 58 Ca -0.12 0.40 0.00 0.00 0.48 0.00 0.00 55.95 56.71 3dkw s SER 58 Cb 0.02 0.31 0.00 0.00 0.10 0.00 0.00 66.02 66.44 3dkw s SER 58 CO 0.18 -0.17 0.00 0.61 0.98 0.00 0.00 173.24 174.84 3dkw n GLY 59 N 4.36 0.60 3.14 7.32 0.00 -1.26 -3.57 105.19 115.78 3dkw n GLY 59 Ca -0.23 -1.72 -0.11 0.00 0.00 0.00 0.00 46.02 43.96 3dkw n GLY 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dkw s VAL 61 N 1.87 2.62 -0.15 0.00 1.01 -1.08 -3.29 120.40 121.37 3dkw s VAL 61 Ca -0.05 -0.84 -0.04 0.00 0.00 0.00 0.00 61.98 61.05 3dkw s VAL 61 Cb -0.11 -2.04 -0.03 0.00 0.00 0.00 0.00 36.38 34.21 3dkw s VAL 61 CO -0.10 0.55 -0.03 -1.59 0.00 0.00 0.00 175.10 173.93 3dkw s LYS 62 N 0.06 3.64 -0.23 2.72 -2.85 0.15 -1.92 119.74 121.31 3dkw s LYS 62 Ca -0.08 -0.50 -0.04 0.00 -1.00 0.00 0.00 55.97 54.35 3dkw s LYS 62 Cb -0.15 -2.92 -0.01 0.00 -2.06 0.00 0.00 37.83 32.70 3dkw s LYS 62 CO 0.05 0.28 -0.03 0.42 0.10 0.00 0.00 175.35 176.17 3dkw s ILE 63 N 0.27 3.46 0.04 3.79 1.01 -1.21 -1.19 121.20 127.37 3dkw s ILE 63 Ca -0.03 -0.51 0.01 0.00 0.00 0.00 0.00 60.65 60.12 3dkw s ILE 63 Cb -0.14 -2.60 -0.03 0.00 0.01 0.00 0.00 42.46 39.70 3dkw s ILE 63 CO 0.03 0.38 -0.05 -0.72 0.00 0.00 0.00 174.94 174.57 3dkw s TYR 64 N 1.48 0.52 0.39 3.97 1.13 -0.33 -2.07 117.35 122.44 3dkw s TYR 64 Ca 0.05 -0.64 0.08 0.00 -1.41 0.00 0.00 57.07 55.15 3dkw s TYR 64 Cb -0.15 -0.33 -0.01 0.00 -1.10 0.00 0.00 41.96 40.37 3dkw s TYR 64 CO -0.02 -0.17 0.44 1.03 -2.51 0.00 0.00 175.55 174.31 3dkw s ARG 65 N -2.14 2.76 -0.18 -3.49 0.52 -0.74 -0.51 118.95 115.15 3dkw s ARG 65 Ca -0.07 -1.31 -0.08 0.00 -0.52 0.00 0.00 55.73 53.74 3dkw s ARG 65 Cb -0.06 -2.59 -0.04 0.00 0.52 0.00 0.00 34.95 32.78 3dkw s ARG 65 CO -0.02 -0.12 0.09 -0.51 0.02 0.00 0.00 175.30 174.75 3dkw s LEU 66 N -4.18 3.99 0.28 2.53 1.43 -1.26 -2.31 118.68 119.15 3dkw s LEU 66 Ca 0.49 0.16 0.01 0.00 -1.03 0.00 0.00 54.13 53.75 3dkw s LEU 66 Cb -0.07 -2.01 -0.04 0.00 0.03 0.00 0.00 46.19 44.10 3dkw s LEU 66 CO 0.30 0.19 0.47 0.42 0.23 0.00 0.00 176.35 177.96 3dkw s THR 67 N 0.27 5.16 0.32 5.49 -4.23 -1.16 -5.00 115.64 116.50 3dkw s THR 67 Ca 0.06 -0.52 0.01 0.00 -1.18 0.00 0.00 61.69 60.06 3dkw s THR 67 Cb -0.12 -3.82 0.21 0.00 1.34 0.00 0.00 72.50 70.11 3dkw s THR 67 CO -0.01 -0.40 1.92 1.55 -0.54 0.00 0.00 174.62 177.15 3dkw h PRO 68 N 1.23 0.81 -0.48 3.99 0.13 -1.99 -2.59 132.00 133.09 3dkw h PRO 68 Ca -0.50 -0.10 -0.10 0.00 -0.87 0.00 0.00 66.00 64.43 3dkw h PRO 68 Cb 1.21 -0.15 -0.02 0.00 0.13 0.00 0.00 31.00 32.17 3dkw h PRO 68 CO 0.63 0.63 -0.11 0.93 -0.23 0.00 0.00 178.00 179.86 3dkw h GLU 69 N 0.81 0.87 0.00 0.86 3.07 -2.05 -3.47 114.58 114.67 3dkw h GLU 69 Ca 0.20 -0.30 0.00 0.00 -0.50 0.00 0.00 59.36 58.76 3dkw h GLU 69 Cb 0.10 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 27.94 3dkw h GLU 69 CO -0.03 0.94 0.00 0.41 -1.40 0.00 0.00 179.01 178.93 3dkw n GLY 70 N -0.38 0.97 3.23 -3.84 0.00 -0.98 -5.15 105.19 99.05 3dkw n GLY 70 Ca 0.02 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.77 3dkw n GLY 70 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3dkw s GLN 71 N 0.05 1.56 -0.80 1.61 -0.21 -1.26 -4.98 119.66 115.64 3dkw s GLN 71 Ca 0.00 -0.82 -0.26 0.00 0.02 0.00 0.00 55.36 54.30 3dkw s GLN 71 Cb 0.00 -1.57 0.03 0.00 1.00 0.00 0.00 33.01 32.47 3dkw s GLN 71 CO 0.00 0.42 1.37 -1.21 -2.12 0.00 0.00 175.29 173.75 3dkw s GLU 72 N -0.75 3.23 -0.69 2.91 8.01 -1.26 -3.00 118.70 127.15 3dkw s GLU 72 Ca 0.08 -0.39 -0.27 0.00 0.01 0.00 0.00 54.97 54.41 3dkw s GLU 72 Cb -0.08 -4.48 0.04 0.00 -4.31 0.00 0.00 34.13 25.29 3dkw s GLU 72 CO 0.00 -2.23 1.21 0.21 0.01 0.00 0.00 175.26 174.46 3dkw s LYS 73 N 5.68 3.25 0.13 1.61 2.20 -0.98 -4.94 119.74 126.70 3dkw s LYS 73 Ca 0.41 -0.21 -0.31 0.00 -0.36 0.00 0.00 55.97 55.50 3dkw s LYS 73 Cb -0.06 -4.14 -0.08 0.00 -1.51 0.00 0.00 37.83 32.03 3dkw s LYS 73 CO 0.09 -1.98 1.32 0.42 -0.36 0.00 0.00 175.35 174.84 3dkw s ILE 74 N 5.29 3.43 -0.27 5.43 -1.09 -1.26 -1.80 121.20 130.94 3dkw s ILE 74 Ca 0.35 1.07 -0.07 0.00 -2.23 0.00 0.00 60.65 59.77 3dkw s ILE 74 Cb -0.09 -3.68 -0.14 0.00 -1.58 0.00 0.00 42.46 36.96 3dkw s ILE 74 CO 0.17 0.11 -0.30 0.18 -1.23 0.00 0.00 174.94 173.86 3dkw n LEU 75 N 3.54 2.37 -3.78 2.97 4.32 -0.88 -4.97 117.00 120.57 3dkw n LEU 75 Ca 0.09 0.14 -0.13 0.00 -0.02 0.00 0.00 56.01 56.09 3dkw n LEU 75 Cb 0.43 -0.85 -0.09 0.00 -1.62 0.00 0.00 43.42 41.29 3dkw n LEU 75 CO 0.58 0.72 -0.02 -1.83 -1.22 0.00 0.00 177.39 175.62 3dkw s GLU 76 N -2.51 0.63 -0.27 3.23 -1.05 -1.23 -5.09 118.70 112.40 3dkw s GLU 76 Ca -0.37 -0.23 -0.05 0.00 -0.15 0.00 0.00 54.97 54.18 3dkw s GLU 76 Cb 0.12 0.28 0.01 0.00 -0.44 0.00 0.00 34.13 34.10 3dkw s GLU 76 CO 0.53 -0.17 0.02 0.08 0.95 0.00 0.00 175.26 176.67 3dkw s VAL 77 N -1.32 3.53 -0.07 1.83 1.01 -1.26 -3.29 120.40 120.82 3dkw s VAL 77 Ca -0.14 -0.81 -0.21 0.00 0.00 0.00 0.00 61.98 60.82 3dkw s VAL 77 Cb -0.06 -2.80 -0.04 0.00 0.00 0.00 0.00 36.38 33.48 3dkw s VAL 77 CO 0.04 0.14 0.59 -0.89 0.00 0.00 0.00 175.10 174.97 3dkw s THR 78 N 1.43 5.07 0.56 3.92 2.01 -0.81 -5.02 115.64 122.80 3dkw s THR 78 Ca 0.02 1.21 0.06 0.00 0.31 0.00 0.00 61.69 63.29 3dkw s THR 78 Cb -0.17 -3.93 0.06 0.00 0.01 0.00 0.00 72.50 68.48 3dkw s THR 78 CO -0.00 0.32 0.53 0.59 -0.69 0.00 0.00 174.62 175.36 3dkw n ASN 79 N 3.47 2.57 -4.75 3.53 4.13 -1.26 -2.65 115.26 120.30 3dkw n ASN 79 Ca -0.05 -2.79 -0.37 0.00 1.68 0.00 0.00 54.58 53.05 3dkw n ASN 79 Cb 0.51 -0.15 0.04 0.00 -1.54 0.00 0.00 39.78 38.64 3dkw n ASN 79 CO 0.00 0.00 0.00 -1.83 0.28 0.00 0.00 177.26 175.71 3dkw s GLU 80 N -4.37 3.05 -1.15 3.52 -1.05 -1.23 -3.51 118.70 113.96 3dkw s GLU 80 Ca 0.40 2.01 -0.01 0.00 -0.15 0.00 0.00 54.97 57.22 3dkw s GLU 80 Cb -0.03 -2.09 0.00 0.00 -0.44 0.00 0.00 34.13 31.57 3dkw s GLU 80 CO 0.25 -1.19 0.97 -2.13 0.95 0.00 0.00 175.26 174.11 3dkw n ARG 81 N -1.30 -6.44 -3.70 -4.83 0.63 -1.09 -5.02 116.66 94.91 3dkw n ARG 81 Ca 0.12 0.79 -0.12 0.00 -0.92 0.00 0.00 57.85 57.72 3dkw n ARG 81 Cb 0.47 -5.67 -0.09 0.00 0.45 0.00 0.00 32.46 27.62 3dkw n ARG 81 CO 0.00 0.00 0.00 -0.80 -2.51 0.00 0.00 177.63 174.32 3dkw s ASN 82 N -4.11 -0.55 0.52 6.15 -0.87 -1.23 -5.03 114.94 109.82 3dkw s ASN 82 Ca 0.09 1.01 -0.07 0.00 -1.57 0.00 0.00 52.86 52.32 3dkw s ASN 82 Cb -0.04 0.98 -0.04 0.00 -0.02 0.00 0.00 41.25 42.13 3dkw s ASN 82 CO 0.69 -0.18 0.85 0.42 -2.57 0.00 0.00 177.10 176.30 3dkw s THR 83 N 0.64 4.85 -0.10 1.60 -4.23 -1.26 -2.68 115.64 114.46 3dkw s THR 83 Ca -0.03 0.39 -0.19 0.00 -1.18 0.00 0.00 61.69 60.68 3dkw s THR 83 Cb -0.05 -3.86 0.04 0.00 1.34 0.00 0.00 72.50 69.97 3dkw s THR 83 CO -0.04 -0.92 0.47 0.72 -0.54 0.00 0.00 174.62 174.30 3dkw s PHE 84 N -2.85 -0.44 -0.96 3.99 -0.71 -1.11 -4.93 117.98 110.97 3dkw s PHE 84 Ca 0.49 0.93 -0.05 0.00 -1.04 0.00 0.00 56.93 57.26 3dkw s PHE 84 Cb -0.10 0.20 0.01 0.00 -1.21 0.00 0.00 43.02 41.91 3dkw s PHE 84 CO 0.47 -0.37 0.72 0.00 -1.34 0.00 0.00 175.22 174.70 3dkw n ALA 85 N 1.92 -0.84 0.88 1.99 0.00 -1.26 -3.68 120.51 119.52 3dkw n ALA 85 Ca -0.17 0.26 0.10 0.00 0.00 0.00 0.00 53.44 53.63 3dkw n ALA 85 Cb 0.56 -3.69 -0.09 0.00 0.00 0.00 0.00 19.45 16.24 3dkw n ALA 85 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 3dkw n GLU 86 N -3.44 0.08 0.00 0.00 0.00 -1.26 -4.12 120.64 111.89 3dkw n GLU 86 Ca -0.01 -0.02 0.14 0.00 0.00 0.00 0.00 57.16 57.27 3dkw n GLU 86 Cb 0.55 -1.51 0.78 0.00 0.00 0.00 0.00 31.44 31.26 3dkw n GLU 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3dkw n ALA 87 N -1.59 2.48 0.22 -1.84 0.00 -1.26 -3.09 120.51 115.43 3dkw n ALA 87 Ca 0.03 -0.16 0.11 0.00 0.00 0.00 0.00 53.44 53.43 3dkw n ALA 87 Cb 0.36 -1.46 0.19 0.00 0.00 0.00 0.00 19.45 18.54 3dkw n ALA 87 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 3dkw h MET 88 N 0.00 0.00 -0.11 0.00 2.86 -1.92 -3.30 114.93 112.46 3dkw h MET 88 Ca 0.00 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.58 3dkw h MET 88 Cb 0.12 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.78 3dkw h MET 88 CO 0.00 0.05 -0.17 0.52 1.06 0.00 0.00 176.91 178.36 3dkw h MET 89 N 0.00 0.31 0.00 1.72 2.86 -1.84 -3.20 114.93 114.78 3dkw h MET 89 Ca -0.00 -0.19 -0.05 0.00 -2.06 0.00 0.00 59.70 57.40 3dkw h MET 89 Cb 1.00 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.67 3dkw h MET 89 CO 0.01 0.76 -0.24 0.74 1.06 0.00 0.00 176.91 179.24 3dkw h PHE 90 N -0.11 0.00 -3.61 -0.22 -1.00 -1.77 -3.43 116.94 106.80 3dkw h PHE 90 Ca 0.01 0.00 -0.51 0.00 2.81 0.00 0.00 57.97 60.28 3dkw h PHE 90 Cb 0.74 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.27 3dkw h PHE 90 CO 0.10 0.24 0.03 -1.64 -1.61 0.00 0.00 178.31 175.43 3dkw s MET 91 N -4.24 3.89 -0.16 1.51 -1.94 -1.21 -4.97 119.30 112.17 3dkw s MET 91 Ca -0.03 0.49 0.03 0.00 -1.71 0.00 0.00 55.69 54.47 3dkw s MET 91 Cb 0.14 -2.50 0.29 0.00 2.01 0.00 0.00 34.83 34.78 3dkw s MET 91 CO 0.67 0.17 1.27 -0.25 -0.01 0.00 0.00 175.02 176.87 3dkw n ASP 92 N -0.50 3.20 -4.71 3.03 9.92 -1.26 -4.91 116.55 121.32 3dkw n ASP 92 Ca 0.02 -2.58 -0.42 0.00 -0.53 0.00 0.00 54.79 51.28 3dkw n ASP 92 Cb 0.53 -0.62 -0.03 0.00 -0.64 0.00 0.00 41.12 40.36 3dkw n ASP 92 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 3dkw s THR 93 N -1.46 4.26 -0.42 -3.53 -1.32 -1.26 -4.94 115.64 106.96 3dkw s THR 93 Ca 0.23 1.64 0.23 0.00 -1.21 0.00 0.00 61.69 62.59 3dkw s THR 93 Cb 0.19 -4.05 0.17 0.00 -1.51 0.00 0.00 72.50 67.29 3dkw s THR 93 CO 0.05 0.14 1.37 1.55 -2.21 0.00 0.00 174.62 175.52 3dkw h PRO 94 N 6.66 0.00 -5.57 7.08 0.13 -1.94 -3.45 132.00 134.91 3dkw h PRO 94 Ca -0.42 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.25 3dkw h PRO 94 Cb 1.22 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.20 3dkw h PRO 94 CO 0.79 0.00 -0.72 -0.80 -0.23 0.00 0.00 178.00 177.03 3dkw s ASN 95 N -5.46 2.62 0.60 1.44 0.02 -1.26 -0.61 114.94 112.30 3dkw s ASN 95 Ca 0.04 -1.05 -0.15 0.00 -1.02 0.00 0.00 52.86 50.68 3dkw s ASN 95 Cb 0.09 -0.14 -0.03 0.00 0.02 0.00 0.00 41.25 41.18 3dkw s ASN 95 CO 0.72 -0.19 1.05 -0.31 0.02 0.00 0.00 177.10 178.38 3dkw s TYR 96 N -2.97 3.05 -0.16 2.20 2.02 -0.97 -4.73 117.35 115.80 3dkw s TYR 96 Ca 0.24 1.49 -0.05 0.00 -0.37 0.00 0.00 57.07 58.39 3dkw s TYR 96 Cb -0.00 -2.97 -0.24 0.00 -0.40 0.00 0.00 41.96 38.35 3dkw s TYR 96 CO 0.08 -1.06 0.21 1.33 -1.57 0.00 0.00 175.55 174.54 3dkw n VAL 97 N -2.13 1.70 -4.34 0.71 0.24 -1.26 -4.10 118.33 109.16 3dkw n VAL 97 Ca 0.08 -0.62 -0.18 0.00 -2.04 0.00 0.00 64.34 61.58 3dkw n VAL 97 Cb 0.53 -1.66 -0.10 0.00 -1.47 0.00 0.00 33.84 31.14 3dkw n VAL 97 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3dkw s ALA 98 N -2.55 1.88 -0.01 2.33 0.00 -1.26 -4.91 121.76 117.24 3dkw s ALA 98 Ca -0.26 -1.80 -0.17 0.00 0.00 0.00 0.00 51.96 49.74 3dkw s ALA 98 Cb 0.07 0.49 -0.06 0.00 0.00 0.00 0.00 23.12 23.63 3dkw s ALA 98 CO 0.72 -0.24 0.46 0.99 0.00 0.00 0.00 175.76 177.69 3dkw s THR 99 N -3.39 4.99 -0.04 0.00 2.01 0.33 -4.33 115.64 115.21 3dkw s THR 99 Ca 0.29 0.96 -0.00 0.00 0.31 0.00 0.00 61.69 63.25 3dkw s THR 99 Cb 0.06 -3.78 -0.03 0.00 0.01 0.00 0.00 72.50 68.75 3dkw s THR 99 CO 0.09 0.52 -0.01 0.00 -0.69 0.00 0.00 174.62 174.53 3dkw s ALA 100 N -0.70 3.25 0.08 7.40 0.00 -0.32 -1.19 121.76 130.29 3dkw s ALA 100 Ca 0.26 -0.88 -0.20 0.00 0.00 0.00 0.00 51.96 51.13 3dkw s ALA 100 Cb -0.17 -1.39 0.05 0.00 0.00 0.00 0.00 23.12 21.61 3dkw s ALA 100 CO 0.14 0.61 0.48 -1.14 0.00 0.00 0.00 175.76 175.85 3dkw s GLN 101 N -1.19 1.05 -0.07 0.00 0.74 -0.33 -2.18 119.66 117.68 3dkw s GLN 101 Ca 0.16 -0.41 0.04 0.00 0.05 0.00 0.00 55.36 55.20 3dkw s GLN 101 Cb -0.11 0.47 -0.02 0.00 1.10 0.00 0.00 33.01 34.45 3dkw s GLN 101 CO 0.06 -0.40 -0.19 0.00 -0.55 0.00 0.00 175.29 174.21 3dkw s ALA 102 N -2.97 2.43 -0.18 1.58 0.00 -0.58 0.29 121.76 122.34 3dkw s ALA 102 Ca -0.02 -1.00 0.20 0.00 0.00 0.00 0.00 51.96 51.15 3dkw s ALA 102 Cb -0.00 -0.88 -0.08 0.00 0.00 0.00 0.00 23.12 22.16 3dkw s ALA 102 CO -0.06 0.44 0.90 1.33 0.00 0.00 0.00 175.76 178.37 3dkw n VAL 103 N 2.82 0.78 -4.14 0.00 0.24 -1.21 -2.04 118.33 114.79 3dkw n VAL 103 Ca -0.17 -0.60 -0.14 0.00 -2.04 0.00 0.00 64.34 61.39 3dkw n VAL 103 Cb 0.52 -0.45 -0.11 0.00 -1.47 0.00 0.00 33.84 32.33 3dkw n VAL 103 CO 0.00 0.00 0.00 0.68 -2.14 0.00 0.00 176.83 175.37 3dkw s VAL 104 N -3.21 0.79 -0.11 3.34 -7.23 -1.26 -4.56 120.40 108.16 3dkw s VAL 104 Ca -0.02 -1.49 -0.34 0.00 -1.81 0.00 0.00 61.98 58.32 3dkw s VAL 104 Cb 0.10 -1.16 -0.12 0.00 0.56 0.00 0.00 36.38 35.76 3dkw s VAL 104 CO 0.81 -0.53 1.90 -0.81 -0.31 0.00 0.00 175.10 176.15 3dkw n PRO 105 N 0.80 2.09 -4.17 4.82 -0.04 -1.26 -4.59 135.00 132.65 3dkw n PRO 105 Ca -0.18 0.76 -0.12 0.00 -0.04 0.00 0.00 63.50 63.92 3dkw n PRO 105 Cb 0.57 -2.63 -0.10 0.00 -0.04 0.00 0.00 33.50 31.30 3dkw n PRO 105 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 3dkw s SER 106 N 4.27 1.31 -0.11 3.54 0.01 -0.46 -4.69 113.70 117.56 3dkw s SER 106 Ca 0.94 -0.91 -0.02 0.00 1.31 0.00 0.00 55.95 57.27 3dkw s SER 106 Cb -0.71 0.05 -0.03 0.00 0.21 0.00 0.00 66.02 65.54 3dkw s SER 106 CO 0.52 -0.36 -0.04 -1.58 0.41 0.00 0.00 173.24 172.18 3dkw s GLN 107 N -3.31 3.23 -0.01 12.44 0.74 -1.23 -2.59 119.66 128.92 3dkw s GLN 107 Ca 0.09 -0.52 -0.01 0.00 0.05 0.00 0.00 55.36 54.97 3dkw s GLN 107 Cb 0.01 -2.77 0.01 0.00 1.10 0.00 0.00 33.01 31.35 3dkw s GLN 107 CO -0.02 0.46 0.03 -0.51 -0.55 0.00 0.00 175.29 174.70 3dkw s LEU 108 N -0.25 1.74 0.20 3.68 1.43 -0.30 -1.39 118.68 123.79 3dkw s LEU 108 Ca 0.04 0.05 -0.09 0.00 -1.03 0.00 0.00 54.13 53.10 3dkw s LEU 108 Cb -0.13 0.07 -0.07 0.00 0.03 0.00 0.00 46.19 46.09 3dkw s LEU 108 CO 0.02 -0.03 0.51 -0.36 0.23 0.00 0.00 176.35 176.72 3dkw s PHE 109 N 0.21 3.46 -0.48 0.29 0.40 -0.79 -0.13 117.98 120.94 3dkw s PHE 109 Ca -0.02 0.82 0.01 0.00 -0.60 0.00 0.00 56.93 57.15 3dkw s PHE 109 Cb -0.03 -2.21 0.13 0.00 0.51 0.00 0.00 43.02 41.42 3dkw s PHE 109 CO -0.01 0.33 0.24 0.50 0.70 0.00 0.00 175.22 176.98 3dkw s ARG 110 N -2.65 1.98 -0.24 0.44 3.52 -1.23 -2.33 118.95 118.44 3dkw s ARG 110 Ca 0.44 -2.28 -0.21 0.00 -0.13 0.00 0.00 55.73 53.55 3dkw s ARG 110 Cb -0.12 -3.43 -0.02 0.00 -1.56 0.00 0.00 34.95 29.83 3dkw s ARG 110 CO 0.21 -1.07 0.68 -0.06 -0.81 0.00 0.00 175.30 174.25 3dkw s PHE 111 N 0.30 3.31 0.40 5.12 0.40 -0.91 -4.63 117.98 121.97 3dkw s PHE 111 Ca 0.14 0.92 -0.26 0.00 -0.60 0.00 0.00 56.93 57.13 3dkw s PHE 111 Cb -0.22 -2.88 -0.09 0.00 0.51 0.00 0.00 43.02 40.34 3dkw s PHE 111 CO -0.04 -0.31 1.27 0.45 0.70 0.00 0.00 175.22 177.30 3dkw s SER 112 N 1.38 6.36 0.14 1.36 0.15 -1.26 -1.77 113.70 120.05 3dkw s SER 112 Ca 0.29 2.58 -0.09 0.00 0.70 0.00 0.00 55.95 59.43 3dkw s SER 112 Cb -0.16 -2.63 -0.06 0.00 -1.71 0.00 0.00 66.02 61.46 3dkw s SER 112 CO 0.09 -0.81 1.39 0.78 1.20 0.00 0.00 173.24 175.89 3dkw h ASN 113 N 2.68 0.86 0.30 5.45 2.35 -1.13 -2.41 115.58 123.69 3dkw h ASN 113 Ca -0.49 -0.50 -0.14 0.00 -0.55 0.00 0.00 56.30 54.62 3dkw h ASN 113 Cb 1.24 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 39.35 3dkw h ASN 113 CO 0.63 1.28 -0.54 0.11 -1.65 0.00 0.00 177.43 177.26 3dkw h LYS 114 N 0.55 0.26 0.00 0.81 1.57 -1.93 -2.71 116.57 115.12 3dkw h LYS 114 Ca -0.01 -0.16 -0.13 0.00 -1.87 0.00 0.00 60.65 58.48 3dkw h LYS 114 Cb 1.24 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.55 3dkw h LYS 114 CO 0.13 0.74 -0.63 0.00 -0.57 0.00 0.00 179.45 179.12 3dkw h ALA 115 N 1.23 0.83 0.00 3.86 0.00 -1.92 -2.94 119.26 120.33 3dkw h ALA 115 Ca 0.00 -0.58 -0.13 0.00 0.00 0.00 0.00 54.91 54.21 3dkw h ALA 115 Cb 1.02 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 3dkw h ALA 115 CO 0.09 0.79 -0.62 -0.92 0.00 0.00 0.00 179.25 178.58 3dkw h TYR 116 N 0.00 0.00 0.00 0.00 3.20 -1.29 -3.03 116.97 115.85 3dkw h TYR 116 Ca -0.01 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.86 3dkw h TYR 116 Cb 1.21 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.48 3dkw h TYR 116 CO 0.00 0.62 -0.09 -0.07 -1.64 0.00 0.00 178.16 176.99 3dkw h LEU 117 N 0.00 0.00 0.08 2.82 3.38 -1.41 -3.32 115.31 116.87 3dkw h LEU 117 Ca -0.01 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 3dkw h LEU 117 Cb 1.33 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.08 3dkw h LEU 117 CO 0.08 0.01 -0.05 0.03 0.09 0.00 0.00 178.44 178.60 3dkw h ARG 118 N 0.00 -0.13 0.00 1.13 3.08 -1.39 -1.18 114.38 115.89 3dkw h ARG 118 Ca 0.00 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.06 3dkw h ARG 118 Cb 0.79 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.87 3dkw h ARG 118 CO 0.00 -0.09 0.00 1.04 -1.07 0.00 0.00 179.97 179.85 3dkw n GLN 119 N -5.16 0.53 -0.16 0.04 3.00 -1.25 -2.96 117.38 111.42 3dkw n GLN 119 Ca -0.08 0.03 0.07 0.00 -0.01 0.00 0.00 57.00 57.02 3dkw n GLN 119 Cb 0.09 -1.50 0.16 0.00 0.00 0.00 0.00 30.24 28.99 3dkw n GLN 119 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.06 176.95 3dkw n LEU 120 N -1.18 2.91 0.02 1.08 7.94 -0.53 -4.45 117.00 122.79 3dkw n LEU 120 Ca 0.15 -1.70 -0.17 0.00 -1.11 0.00 0.00 56.01 53.18 3dkw n LEU 120 Cb 0.16 -0.21 -0.07 0.00 0.53 0.00 0.00 43.42 43.83 3dkw n LEU 120 CO 0.18 0.68 0.19 1.56 -1.11 0.00 0.00 177.39 178.89 3dkw h GLN 121 N 2.72 0.66 -0.24 1.96 4.20 -1.22 -3.23 115.11 119.96 3dkw h GLN 121 Ca 0.00 -0.62 0.01 0.00 0.06 0.00 0.00 58.65 58.10 3dkw h GLN 121 Cb 0.74 0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.66 3dkw h GLN 121 CO 0.00 1.23 0.14 0.38 -0.67 0.00 0.00 178.83 179.91 3dkw h ASP 122 N 0.41 0.23 0.00 1.46 3.04 -1.81 -3.45 116.42 116.30 3dkw h ASP 122 Ca -0.08 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.71 3dkw h ASP 122 Cb 1.53 -0.05 0.00 0.00 -1.04 0.00 0.00 39.33 39.77 3dkw h ASP 122 CO 0.17 0.17 0.00 -3.20 -2.04 0.00 0.00 179.24 174.34 3dkw n ASN 123 N -4.95 0.00 0.00 4.15 5.15 -1.22 -4.56 115.26 113.83 3dkw n ASN 123 Ca -0.02 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.96 3dkw n ASN 123 Cb 0.04 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.29 3dkw n ASN 123 CO 0.00 0.00 0.00 0.41 1.40 0.00 0.00 177.26 179.07 3dkw n THR 124 N 0.00 0.00 0.30 -0.44 -1.04 -1.26 0.46 114.28 112.30 3dkw n THR 124 Ca 0.00 0.00 0.12 0.00 -2.04 0.00 0.00 64.05 62.13 3dkw n THR 124 Cb 0.00 0.00 0.11 0.00 -1.82 0.00 0.00 70.33 68.62 3dkw n THR 124 CO 0.00 0.00 0.00 1.55 -0.64 0.00 0.00 175.07 175.98 3dkw h PRO 125 N 0.00 0.00 0.00 -2.82 0.13 -2.01 -3.38 132.00 123.92 3dkw h PRO 125 Ca 0.00 0.00 -0.38 0.00 -0.87 0.00 0.00 66.00 64.75 3dkw h PRO 125 Cb 0.00 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.07 3dkw h PRO 125 CO 0.00 0.00 -2.36 1.28 -0.23 0.00 0.00 178.00 176.69 3dkw n LEU 126 N -2.57 2.43 0.01 1.56 4.77 0.23 -4.54 117.00 118.89 3dkw n LEU 126 Ca 0.02 0.07 0.14 0.00 -0.03 0.00 0.00 56.01 56.21 3dkw n LEU 126 Cb 0.51 -0.78 0.59 0.00 -2.33 0.00 0.00 43.42 41.40 3dkw n LEU 126 CO 0.37 0.72 1.16 0.00 -1.33 0.00 0.00 177.39 178.32 3dkw h ALA 127 N -0.40 2.17 -0.75 -1.18 0.00 -0.19 -1.36 119.26 117.53 3dkw h ALA 127 Ca -0.57 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.32 3dkw h ALA 127 Cb 1.69 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 19.42 3dkw h ALA 127 CO -0.22 -0.28 0.46 -0.07 0.00 0.00 0.00 179.25 179.15 3dkw h LEU 128 N 0.20 0.89 -0.51 0.00 3.38 -1.73 -0.17 115.31 117.37 3dkw h LEU 128 Ca 0.22 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.12 3dkw h LEU 128 Cb 0.59 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 3dkw h LEU 128 CO -0.04 0.68 0.24 0.00 0.09 0.00 0.00 178.44 179.41 3dkw h ALA 129 N 1.48 0.66 0.00 1.53 0.00 -1.50 -0.95 119.26 120.48 3dkw h ALA 129 Ca 0.27 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 3dkw h ALA 129 Cb -0.06 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 3dkw h ALA 129 CO -0.05 0.23 -0.25 -0.07 0.00 0.00 0.00 179.25 179.11 3dkw h LEU 130 N 0.68 0.00 0.00 0.00 3.38 -1.46 -2.42 115.31 115.48 3dkw h LEU 130 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 3dkw h LEU 130 Cb 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 3dkw h LEU 130 CO -0.02 0.25 -0.06 -0.11 0.09 0.00 0.00 178.44 178.58 3dkw n LEU 131 N -3.38 0.57 -0.05 1.67 7.94 -0.12 -3.34 117.00 120.29 3dkw n LEU 131 Ca 0.00 0.51 -0.22 0.00 -1.11 0.00 0.00 56.01 55.19 3dkw n LEU 131 Cb 0.46 -0.36 -0.13 0.00 0.53 0.00 0.00 43.42 43.93 3dkw n LEU 131 CO 0.34 -0.11 -0.74 0.00 -1.11 0.00 0.00 177.39 175.77 3dkw n ALA 132 N -1.70 0.87 -0.28 1.96 0.00 -0.42 -3.79 120.51 117.15 3dkw n ALA 132 Ca 0.06 -0.59 -0.03 0.00 0.00 0.00 0.00 53.44 52.88 3dkw n ALA 132 Cb 0.40 -0.57 0.12 0.00 0.00 0.00 0.00 19.45 19.40 3dkw n ALA 132 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3dkw h LYS 133 N -0.45 1.15 0.00 0.00 1.63 -1.59 0.21 116.57 117.53 3dkw h LYS 133 Ca -0.41 -0.15 0.00 0.00 -0.85 0.00 0.00 60.65 59.23 3dkw h LYS 133 Cb 1.69 -0.22 0.00 0.00 -0.60 0.00 0.00 32.23 33.11 3dkw h LYS 133 CO -0.07 0.87 0.00 1.28 -3.45 0.00 0.00 179.45 178.08 3dkw n LEU 134 N -4.32 0.00 -0.09 5.20 4.77 -1.21 -2.56 117.00 118.79 3dkw n LEU 134 Ca 0.08 0.33 -0.11 0.00 -0.03 0.00 0.00 56.01 56.28 3dkw n LEU 134 Cb 0.13 -0.33 -0.10 0.00 -2.33 0.00 0.00 43.42 40.79 3dkw n LEU 134 CO 0.39 -0.09 -1.06 -0.24 -1.33 0.00 0.00 177.39 175.06 3dkw n SER 135 N -1.33 2.15 0.21 -1.43 2.88 -0.39 -4.42 113.62 111.30 3dkw n SER 135 Ca 0.09 -0.06 0.09 0.00 -1.33 0.00 0.00 58.87 57.66 3dkw n SER 135 Cb 0.19 0.11 0.40 0.00 -0.75 0.00 0.00 64.21 64.17 3dkw n SER 135 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3dkw h THR 136 N 0.00 0.54 -0.54 2.46 1.03 -0.63 -3.01 112.91 112.76 3dkw h THR 136 Ca -0.41 -1.21 -0.04 0.00 -0.01 0.00 0.00 66.41 64.74 3dkw h THR 136 Cb 1.73 1.84 -0.02 0.00 -1.07 0.00 0.00 68.15 70.63 3dkw h THR 136 CO -0.03 0.23 0.19 0.03 -0.01 0.00 0.00 175.52 175.92 3dkw h ARG 137 N 0.00 0.82 -0.31 0.00 2.47 -1.72 -3.26 114.38 112.39 3dkw h ARG 137 Ca -0.00 -0.17 0.07 0.00 -1.26 0.00 0.00 59.98 58.62 3dkw h ARG 137 Cb 0.82 -0.12 -0.08 0.00 -1.65 0.00 0.00 29.97 28.94 3dkw h ARG 137 CO 0.03 0.74 -0.36 -0.07 0.56 0.00 0.00 179.97 180.88 3dkw h LEU 138 N 0.74 -1.16 -1.10 3.04 3.38 -1.73 -0.28 115.31 118.19 3dkw h LEU 138 Ca 0.18 0.18 0.25 0.00 0.09 0.00 0.00 57.88 58.58 3dkw h LEU 138 Cb 0.25 0.52 -0.12 0.00 0.09 0.00 0.00 40.66 41.40 3dkw h LEU 138 CO -0.01 -0.35 0.62 0.45 0.09 0.00 0.00 178.44 179.24 3dkw h HIS 139 N -0.33 0.92 0.00 1.13 3.86 -1.69 0.72 115.15 119.77 3dkw h HIS 139 Ca 0.14 0.03 -0.13 0.00 -1.16 0.00 0.00 60.37 59.25 3dkw h HIS 139 Cb 0.56 -0.27 -0.02 0.00 1.06 0.00 0.00 27.41 28.75 3dkw h HIS 139 CO -0.52 0.07 -0.61 1.96 0.86 0.00 0.00 177.93 179.69 3dkw h GLN 140 N 0.54 0.00 0.00 2.45 4.20 -1.25 -2.88 115.11 118.17 3dkw h GLN 140 Ca 0.63 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 59.24 3dkw h GLN 140 Cb 1.30 0.00 0.01 0.00 0.30 0.00 0.00 27.48 29.09 3dkw h GLN 140 CO -0.43 0.61 -0.41 0.00 -0.67 0.00 0.00 178.83 177.93 3dkw h ARG 141 N 0.00 0.27 -0.63 1.46 2.47 0.19 -3.00 114.38 115.13 3dkw h ARG 141 Ca -0.01 -0.30 -0.06 0.00 -1.26 0.00 0.00 59.98 58.36 3dkw h ARG 141 Cb 1.28 0.09 -0.03 0.00 -1.65 0.00 0.00 29.97 29.66 3dkw h ARG 141 CO 0.08 1.01 0.16 0.82 0.56 0.00 0.00 179.97 182.60 3dkw h ILE 142 N -0.34 1.25 -0.19 2.04 2.04 -0.63 -2.46 117.51 119.22 3dkw h ILE 142 Ca -0.05 -0.89 -0.07 0.00 1.00 0.00 0.00 64.86 64.86 3dkw h ILE 142 Cb 1.15 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 37.80 3dkw h ILE 142 CO 0.08 0.34 -0.17 -0.78 0.00 0.00 0.00 178.15 177.61 3dkw h ASP 143 N 0.95 0.31 0.57 1.72 3.58 -1.59 -1.59 116.42 120.36 3dkw h ASP 143 Ca 0.20 -0.08 -0.13 0.00 0.42 0.00 0.00 57.03 57.45 3dkw h ASP 143 Cb 0.32 -0.08 -0.02 0.00 1.72 0.00 0.00 39.33 41.27 3dkw h ASP 143 CO -0.00 0.51 -0.59 -0.33 -2.88 0.00 0.00 179.24 175.94 3dkw h GLU 144 N 0.30 0.02 0.12 0.28 5.08 -1.30 -2.77 114.58 116.30 3dkw h GLU 144 Ca 0.05 -0.01 -0.24 0.00 -1.00 0.00 0.00 59.36 58.17 3dkw h GLU 144 Cb 0.49 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.76 3dkw h GLU 144 CO 0.03 0.60 -1.00 0.82 -1.00 0.00 0.00 179.01 178.47 3dkw h ILE 145 N 0.01 1.39 -0.19 3.13 2.04 -1.07 -2.73 117.51 120.09 3dkw h ILE 145 Ca -0.01 -2.43 -0.04 0.00 1.00 0.00 0.00 64.86 63.38 3dkw h ILE 145 Cb 1.05 2.88 -0.01 0.00 -0.74 0.00 0.00 36.82 40.00 3dkw h ILE 145 CO 0.08 0.71 -0.08 -0.33 0.00 0.00 0.00 178.15 178.53 3dkw h GLU 146 N -0.03 0.28 0.12 2.37 5.08 -1.32 0.11 114.58 121.19 3dkw h GLU 146 Ca -0.16 -0.06 -0.27 0.00 -1.00 0.00 0.00 59.36 57.87 3dkw h GLU 146 Cb 1.73 -0.04 0.03 0.00 0.50 0.00 0.00 28.75 30.96 3dkw h GLU 146 CO 0.19 0.38 -1.13 1.79 -1.00 0.00 0.00 179.01 179.24 3dkw h THR 147 N 0.27 1.33 -0.08 1.13 1.35 -1.57 -3.22 112.91 112.14 3dkw h THR 147 Ca 0.06 -2.44 -0.16 0.00 -0.55 0.00 0.00 66.41 63.32 3dkw h THR 147 Cb 0.32 2.78 -0.01 0.00 -1.73 0.00 0.00 68.15 69.51 3dkw h THR 147 CO 0.02 0.73 -0.67 -0.07 -0.25 0.00 0.00 175.52 175.28 3dkw h LEU 148 N 0.13 0.37 -0.69 3.87 3.38 -1.27 -2.84 115.31 118.26 3dkw h LEU 148 Ca -0.17 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.55 3dkw h LEU 148 Cb 1.83 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 42.43 3dkw h LEU 148 CO 0.22 0.93 0.39 0.77 0.09 0.00 0.00 178.44 180.84 3dkw h SER 149 N 0.23 0.86 -0.03 -0.43 4.64 -0.89 -1.95 113.55 115.98 3dkw h SER 149 Ca -0.02 -0.09 -0.13 0.00 -0.47 0.00 0.00 61.79 61.08 3dkw h SER 149 Cb 1.21 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 63.07 3dkw h SER 149 CO 0.11 0.70 -0.41 -0.07 -0.87 0.00 0.00 176.83 176.29 3dkw h LEU 150 N 0.95 0.58 -1.19 5.97 3.38 -1.55 -1.73 115.31 121.71 3dkw h LEU 150 Ca 0.25 -0.26 0.01 0.00 0.09 0.00 0.00 57.88 57.96 3dkw h LEU 150 Cb 0.02 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.57 3dkw h LEU 150 CO -0.04 0.92 0.54 0.11 0.09 0.00 0.00 178.44 180.06 3dkw h LYS 151 N 0.45 1.08 0.00 1.13 1.57 -1.19 0.21 116.57 119.82 3dkw h LYS 151 Ca 0.04 -0.07 -0.10 0.00 -1.87 0.00 0.00 60.65 58.65 3dkw h LYS 151 Cb 0.91 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.96 3dkw h LYS 151 CO 0.08 0.72 -0.48 -0.91 -0.57 0.00 0.00 179.45 178.29 3dkw h ASN 152 N 1.11 0.00 1.10 0.86 2.35 -1.18 -3.08 115.58 116.74 3dkw h ASN 152 Ca 0.30 0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 55.88 3dkw h ASN 152 Cb -0.12 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.22 3dkw h ASN 152 CO -0.06 0.48 -0.82 0.00 -1.65 0.00 0.00 177.43 175.37 3dkw h ALA 153 N 1.52 0.50 0.00 -0.83 0.00 -0.31 -2.73 119.26 117.42 3dkw h ALA 153 Ca -0.00 -0.75 -0.09 0.00 0.00 0.00 0.00 54.91 54.06 3dkw h ALA 153 Cb 1.25 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 3dkw h ALA 153 CO 0.06 1.03 -0.45 1.79 0.00 0.00 0.00 179.25 181.68 3dkw h THR 154 N 0.00 0.83 0.00 0.00 1.35 -0.64 -2.74 112.91 111.71 3dkw h THR 154 Ca -0.01 -2.00 0.00 0.00 -0.55 0.00 0.00 66.41 63.85 3dkw h THR 154 Cb 1.59 2.29 0.00 0.00 -1.73 0.00 0.00 68.15 70.30 3dkw h THR 154 CO 0.11 0.44 -0.81 1.41 -0.25 0.00 0.00 175.52 176.42 3dkw n HIS 155 N -3.28 0.46 0.02 4.73 -0.00 -1.17 -3.70 115.22 112.27 3dkw n HIS 155 Ca 0.02 0.13 0.05 0.00 -0.00 0.00 0.00 57.72 57.91 3dkw n HIS 155 Cb 0.67 -0.59 -0.10 0.00 -0.00 0.00 0.00 29.99 29.98 3dkw n HIS 155 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 176.34 174.21 3dkw n ARG 156 N -2.08 0.64 0.08 -0.41 0.63 -1.03 -3.92 116.66 110.56 3dkw n ARG 156 Ca 0.03 0.04 -0.15 0.00 -0.92 0.00 0.00 57.85 56.85 3dkw n ARG 156 Cb 0.44 -1.68 -0.14 0.00 0.45 0.00 0.00 32.46 31.53 3dkw n ARG 156 CO 0.00 0.00 0.00 -0.24 -2.51 0.00 0.00 177.63 174.88 3dkw h VAL 157 N 0.00 1.41 -0.13 5.15 3.04 -1.62 -3.31 116.25 120.79 3dkw h VAL 157 Ca -0.13 -3.02 -0.13 0.00 -1.01 0.00 0.00 66.70 62.41 3dkw h VAL 157 Cb 1.37 2.87 -0.01 0.00 -2.01 0.00 0.00 31.29 33.50 3dkw h VAL 157 CO 0.02 0.87 -0.47 0.58 -1.01 0.00 0.00 177.57 177.55 3dkw h VAL 158 N 0.06 1.33 -0.58 1.51 2.07 -1.74 -2.99 116.25 115.91 3dkw h VAL 158 Ca -0.15 -1.68 -0.01 0.00 0.82 0.00 0.00 66.70 65.68 3dkw h VAL 158 Cb 1.96 1.75 -0.03 0.00 -1.52 0.00 0.00 31.29 33.46 3dkw h VAL 158 CO 0.18 0.51 0.33 0.03 0.02 0.00 0.00 177.57 178.63 3dkw h ARG 159 N 0.27 0.80 0.00 1.57 3.08 -1.68 0.49 114.38 118.90 3dkw h ARG 159 Ca 0.02 -0.08 -0.05 0.00 0.07 0.00 0.00 59.98 59.94 3dkw h ARG 159 Cb 0.94 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.81 3dkw h ARG 159 CO 0.08 0.58 -0.22 -0.92 -1.07 0.00 0.00 179.97 178.41 3dkw h TYR 160 N 0.81 0.00 0.12 3.04 5.03 -1.63 -2.95 116.97 121.40 3dkw h TYR 160 Ca 0.21 0.00 -0.31 0.00 2.58 0.00 0.00 58.73 61.21 3dkw h TYR 160 Cb 0.01 0.00 -0.00 0.00 1.55 0.00 0.00 36.73 38.28 3dkw h TYR 160 CO 0.00 0.22 -1.52 -0.07 -1.32 0.00 0.00 178.16 175.48 3dkw h LEU 161 N 0.00 0.41 -0.90 2.82 3.38 -1.15 -3.22 115.31 116.65 3dkw h LEU 161 Ca -0.00 -0.56 -0.11 0.00 0.09 0.00 0.00 57.88 57.30 3dkw h LEU 161 Cb 0.97 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.58 3dkw h LEU 161 CO 0.03 1.46 -0.38 -0.07 0.09 0.00 0.00 178.44 179.56 3dkw h LEU 162 N 0.07 0.34 -0.15 1.67 3.38 -0.95 -2.80 115.31 116.87 3dkw h LEU 162 Ca -0.24 -0.14 -0.06 0.00 0.09 0.00 0.00 57.88 57.53 3dkw h LEU 162 Cb 2.02 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 42.67 3dkw h LEU 162 CO 0.17 0.70 -0.13 0.71 0.09 0.00 0.00 178.44 179.98 3dkw h THR 163 N 0.28 1.34 -0.94 0.22 1.35 -1.63 -2.94 112.91 110.58 3dkw h THR 163 Ca 0.03 -1.26 0.00 0.00 -0.55 0.00 0.00 66.41 64.63 3dkw h THR 163 Cb 0.81 1.82 -0.05 0.00 -1.73 0.00 0.00 68.15 69.00 3dkw h THR 163 CO 0.06 0.37 0.60 -0.07 -0.25 0.00 0.00 175.52 176.23 3dkw h LEU 164 N 0.01 1.10 0.00 3.87 3.38 -1.56 2.20 115.31 124.31 3dkw h LEU 164 Ca 0.03 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3dkw h LEU 164 Cb 0.65 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.12 3dkw h LEU 164 CO 0.03 0.82 0.00 0.00 0.09 0.00 0.00 178.44 179.38 3dkw n ALA 165 N -2.37 1.68 -2.00 1.53 0.00 -1.06 -4.06 120.51 114.23 3dkw n ALA 165 Ca 0.11 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.50 3dkw n ALA 165 Cb 0.03 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.33 3dkw n ALA 165 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dkw n ALA 166 N -1.20 0.18 -1.44 0.00 0.00 0.57 -4.28 120.51 114.33 3dkw n ALA 166 Ca 0.05 0.00 -0.51 0.00 0.00 0.00 0.00 53.44 52.99 3dkw n ALA 166 Cb 0.06 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.47 3dkw n ALA 166 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3dkw n HIS 167 N 0.00 -0.02 -0.88 0.00 -0.00 0.61 -4.53 115.22 110.41 3dkw n HIS 167 Ca 0.00 0.96 0.00 0.00 -0.00 0.00 0.00 57.72 58.68 3dkw n HIS 167 Cb 0.00 -2.03 0.00 0.00 -0.00 0.00 0.00 29.99 27.96 3dkw n HIS 167 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3dkw n ALA 168 N 0.48 -2.40 -1.53 -1.41 0.00 -1.26 -4.34 120.51 110.04 3dkw n ALA 168 Ca 0.18 0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.85 3dkw n ALA 168 Cb 0.21 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 18.70 3dkw n ALA 168 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3dkw n PRO 169 N -0.18 0.00 -1.64 0.00 -0.05 -1.26 -4.77 135.00 127.10 3dkw n PRO 169 Ca 0.00 0.00 -0.01 0.00 -0.05 0.00 0.00 63.50 63.44 3dkw n PRO 169 Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 33.50 33.45 3dkw n PRO 169 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 175.50 175.86 3dkw n GLY 170 N 5.00 0.77 2.07 0.55 0.00 -1.26 -3.89 105.19 108.42 3dkw n GLY 170 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.78 3dkw n GLY 170 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3dkw n GLU 171 N -1.58 0.00 -2.38 1.61 1.02 -1.26 -4.19 120.64 113.86 3dkw n GLU 171 Ca -0.01 0.00 -0.01 0.00 -0.02 0.00 0.00 57.16 57.12 3dkw n GLU 171 Cb 0.51 -1.34 0.00 0.00 -0.02 0.00 0.00 31.44 30.59 3dkw n GLU 171 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3dkw n ASN 172 N 0.00 -6.28 0.00 1.62 4.13 -1.25 -4.84 115.26 108.64 3dkw n ASN 172 Ca 0.00 0.91 0.00 0.00 1.68 0.00 0.00 54.58 57.17 3dkw n ASN 172 Cb 0.00 -4.10 0.00 0.00 -1.54 0.00 0.00 39.78 34.14 3dkw n ASN 172 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3dkw s ARG 174 N 0.00 1.27 -0.03 0.00 1.81 -1.26 -4.19 118.95 116.55 3dkw s ARG 174 Ca 0.00 -1.00 -0.30 0.00 -1.72 0.00 0.00 55.73 52.71 3dkw s ARG 174 Cb 0.00 -1.43 -0.04 0.00 -0.45 0.00 0.00 34.95 33.04 3dkw s ARG 174 CO 0.00 0.35 1.15 0.08 -0.68 0.00 0.00 175.30 176.21 3dkw s VAL 175 N -0.92 4.33 -0.22 3.52 1.01 -1.25 -4.72 120.40 122.15 3dkw s VAL 175 Ca 0.07 1.66 -0.05 0.00 0.00 0.00 0.00 61.98 63.65 3dkw s VAL 175 Cb -0.09 -4.06 -0.19 0.00 0.00 0.00 0.00 36.38 32.04 3dkw s VAL 175 CO 0.03 0.04 -0.05 1.21 0.00 0.00 0.00 175.10 176.32 3dkw n GLU 176 N 4.75 0.66 -2.48 2.72 2.13 -1.26 -4.80 120.64 122.36 3dkw n GLU 176 Ca 0.10 0.24 -0.43 0.00 0.66 0.00 0.00 57.16 57.73 3dkw n GLU 176 Cb 0.47 -1.59 -0.02 0.00 0.27 0.00 0.00 31.44 30.57 3dkw n GLU 176 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 3dkw s ILE 177 N -2.51 4.34 -0.76 6.31 1.01 -1.26 -4.91 121.20 123.41 3dkw s ILE 177 Ca -0.32 1.64 -0.24 0.00 0.00 0.00 0.00 60.65 61.74 3dkw s ILE 177 Cb 0.09 -4.06 -0.16 0.00 0.01 0.00 0.00 42.46 38.34 3dkw s ILE 177 CO 0.63 -0.05 2.41 -2.65 0.00 0.00 0.00 174.94 175.27 3dkw n PRO 178 N 5.69 0.55 -3.17 2.79 -0.02 -1.26 -4.90 135.00 134.68 3dkw n PRO 178 Ca 0.12 -0.37 -0.40 0.00 -2.02 0.00 0.00 63.50 60.83 3dkw n PRO 178 Cb 0.46 -2.96 -0.06 0.00 -0.02 0.00 0.00 33.50 30.92 3dkw n PRO 178 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3dkw s VAL 179 N 11.11 5.04 0.24 -1.45 1.01 -1.26 -5.02 120.40 130.07 3dkw s VAL 179 Ca 1.05 1.06 0.03 0.00 0.00 0.00 0.00 61.98 64.12 3dkw s VAL 179 Cb -0.38 -3.90 0.03 0.00 0.00 0.00 0.00 36.38 32.13 3dkw s VAL 179 CO 0.26 0.10 0.22 0.00 0.00 0.00 0.00 175.10 175.68 3dkw n ALA 180 N 5.25 0.40 0.39 5.51 0.00 -1.26 -4.35 120.51 126.45 3dkw n ALA 180 Ca -0.02 -0.93 0.13 0.00 0.00 0.00 0.00 53.44 52.61 3dkw n ALA 180 Cb 0.50 0.35 0.30 0.00 0.00 0.00 0.00 19.45 20.60 3dkw n ALA 180 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3dkw h LYS 181 N 0.00 0.00 0.00 0.00 1.57 -2.01 -3.24 116.57 112.90 3dkw h LYS 181 Ca -0.14 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.62 3dkw h LYS 181 Cb 0.54 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.85 3dkw h LYS 181 CO 0.21 0.00 -2.00 1.04 -0.57 0.00 0.00 179.45 178.14 3dkw n GLN 182 N -2.74 0.65 -0.03 3.15 1.13 -1.26 -4.35 117.38 113.93 3dkw n GLN 182 Ca 0.04 -0.19 -0.05 0.00 -1.94 0.00 0.00 57.00 54.86 3dkw n GLN 182 Cb 0.47 -1.51 0.15 0.00 0.11 0.00 0.00 30.24 29.46 3dkw n GLN 182 CO 0.00 0.00 0.00 1.25 -1.44 0.00 0.00 177.06 176.87 3dkw h LEU 183 N 0.00 0.61 -1.21 1.08 5.85 -1.95 -2.81 115.31 116.88 3dkw h LEU 183 Ca -0.03 -0.22 -0.07 0.00 0.84 0.00 0.00 57.88 58.40 3dkw h LEU 183 Cb 1.04 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.89 3dkw h LEU 183 CO 0.00 0.85 -0.26 0.58 -0.34 0.00 0.00 178.44 179.28 3dkw h VAL 184 N 0.53 1.24 0.00 1.05 2.07 -1.76 -1.56 116.25 117.82 3dkw h VAL 184 Ca 0.07 -1.11 0.00 0.00 0.82 0.00 0.00 66.70 66.48 3dkw h VAL 184 Cb 0.71 1.43 0.00 0.00 -1.52 0.00 0.00 31.29 31.91 3dkw h VAL 184 CO 0.05 0.34 0.00 0.00 0.02 0.00 0.00 177.57 177.98 3dkw n ALA 185 N -2.48 1.29 -0.06 1.67 0.00 -1.06 -0.97 120.51 118.90 3dkw n ALA 185 Ca -0.01 -0.02 -0.07 0.00 0.00 0.00 0.00 53.44 53.34 3dkw n ALA 185 Cb 0.36 -1.10 -0.08 0.00 0.00 0.00 0.00 19.45 18.63 3dkw n ALA 185 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dkw n GLY 186 N -0.85 -0.43 0.20 0.00 0.00 -0.66 -3.14 105.19 100.31 3dkw n GLY 186 Ca 0.02 -0.16 -0.20 0.00 0.00 0.00 0.00 46.02 45.68 3dkw n GLY 186 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 3dkw h HIS 187 N 0.00 1.06 0.00 1.61 3.86 -0.95 -3.38 115.15 117.35 3dkw h HIS 187 Ca -0.30 -0.55 0.00 0.00 -1.16 0.00 0.00 60.37 58.35 3dkw h HIS 187 Cb 1.62 -0.13 0.00 0.00 1.06 0.00 0.00 27.41 29.96 3dkw h HIS 187 CO 0.01 1.39 -0.50 1.28 0.86 0.00 0.00 177.93 180.96 3dkw n LEU 188 N -3.88 0.00 -3.17 2.43 4.77 -0.14 -5.05 117.00 111.96 3dkw n LEU 188 Ca -0.10 -0.25 -0.14 0.00 -0.03 0.00 0.00 56.01 55.49 3dkw n LEU 188 Cb 0.85 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 42.01 3dkw n LEU 188 CO 0.55 0.00 0.04 -1.54 -1.33 0.00 0.00 177.39 175.12 3dkw n SER 189 N -1.25 -6.53 -4.57 -1.43 3.41 -1.04 -5.01 113.62 97.21 3dkw n SER 189 Ca 0.00 -0.66 -0.28 0.00 -0.26 0.00 0.00 58.87 57.68 3dkw n SER 189 Cb 0.00 -5.04 -0.10 0.00 -0.26 0.00 0.00 64.21 58.82 3dkw n SER 189 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3dkw s ILE 190 N -3.36 3.20 0.30 -1.33 1.01 -1.26 -5.01 121.20 114.75 3dkw s ILE 190 Ca 0.42 -1.55 -0.30 0.00 0.00 0.00 0.00 60.65 59.22 3dkw s ILE 190 Cb -0.06 -2.56 -0.12 0.00 0.01 0.00 0.00 42.46 39.74 3dkw s ILE 190 CO 0.71 -0.04 1.56 0.00 0.00 0.00 0.00 174.94 177.17 3dkw n GLN 191 N 0.25 2.63 -0.05 2.79 6.02 -1.26 -4.57 117.38 123.20 3dkw n GLN 191 Ca -0.12 0.93 0.05 0.00 -0.01 0.00 0.00 57.00 57.86 3dkw n GLN 191 Cb 0.54 -2.70 0.42 0.00 1.02 0.00 0.00 30.24 29.53 3dkw n GLN 191 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.06 174.70 3dkw h PRO 192 N 4.44 0.56 0.01 -1.09 0.11 -1.99 -1.20 132.00 132.85 3dkw h PRO 192 Ca -0.47 -0.03 -0.20 0.00 0.11 0.00 0.00 66.00 65.41 3dkw h PRO 192 Cb 1.23 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 3dkw h PRO 192 CO 0.77 0.37 -0.91 0.93 -0.21 0.00 0.00 178.00 178.95 3dkw h GLU 193 N 0.58 0.13 0.11 1.05 5.08 -1.99 -3.22 114.58 116.32 3dkw h GLU 193 Ca 0.20 -0.16 -0.28 0.00 -1.00 0.00 0.00 59.36 58.12 3dkw h GLU 193 Cb 0.08 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 3dkw h GLU 193 CO -0.05 0.95 -1.37 1.79 -1.00 0.00 0.00 179.01 179.33 3dkw h THR 194 N 0.07 1.34 -0.08 1.13 1.35 -1.84 -3.34 112.91 111.54 3dkw h THR 194 Ca -0.04 -2.97 -0.01 0.00 -0.55 0.00 0.00 66.41 62.84 3dkw h THR 194 Cb 1.56 2.83 -0.00 0.00 -1.73 0.00 0.00 68.15 70.81 3dkw h THR 194 CO 0.13 0.85 -0.00 0.15 -0.25 0.00 0.00 175.52 176.40 3dkw h PHE 195 N 0.06 0.16 -0.18 4.73 3.57 -1.32 -3.26 116.94 120.70 3dkw h PHE 195 Ca -0.18 -0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.32 3dkw h PHE 195 Cb 1.97 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 40.65 3dkw h PHE 195 CO 0.05 0.41 0.03 0.66 -2.23 0.00 0.00 178.31 177.23 3dkw h SER 196 N -0.14 -0.00 -0.73 0.41 4.64 -1.71 -2.54 113.55 113.47 3dkw h SER 196 Ca 0.02 0.03 0.14 0.00 -0.47 0.00 0.00 61.79 61.51 3dkw h SER 196 Cb 0.35 0.04 -0.05 0.00 -0.31 0.00 0.00 62.40 62.43 3dkw h SER 196 CO 0.00 0.02 0.49 0.03 -0.87 0.00 0.00 176.83 176.51 3dkw h ARG 197 N 0.10 0.40 -0.23 4.77 3.08 -1.68 -1.59 114.38 119.23 3dkw h ARG 197 Ca 0.08 -0.02 -0.19 0.00 0.07 0.00 0.00 59.98 59.92 3dkw h ARG 197 Cb 0.08 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.04 3dkw h ARG 197 CO -0.11 0.26 -0.61 0.82 -1.07 0.00 0.00 179.97 179.26 3dkw h ILE 198 N 0.41 1.29 -0.50 2.04 2.04 -1.49 -3.03 117.51 118.26 3dkw h ILE 198 Ca 0.35 -1.82 -0.08 0.00 1.00 0.00 0.00 64.86 64.32 3dkw h ILE 198 Cb 0.80 1.76 -0.02 0.00 -0.74 0.00 0.00 36.82 38.62 3dkw h ILE 198 CO -0.11 0.58 -0.00 0.24 0.00 0.00 0.00 178.15 178.86 3dkw h MET 199 N 0.57 0.85 -0.17 2.37 2.86 -1.14 -0.93 114.93 119.33 3dkw h MET 199 Ca -0.00 -0.24 -0.12 0.00 -2.06 0.00 0.00 59.70 57.28 3dkw h MET 199 Cb 1.21 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.76 3dkw h MET 199 CO 0.13 0.85 -0.43 0.45 1.06 0.00 0.00 176.91 178.97 3dkw h HIS 200 N 0.79 0.48 0.09 -0.22 3.86 -1.49 -0.92 115.15 117.73 3dkw h HIS 200 Ca 0.15 -0.14 -0.22 0.00 -1.16 0.00 0.00 60.37 59.00 3dkw h HIS 200 Cb 0.48 -0.10 0.02 0.00 1.06 0.00 0.00 27.41 28.87 3dkw h HIS 200 CO 0.03 0.77 -0.91 0.00 0.86 0.00 0.00 177.93 178.67 3dkw h ARG 201 N 0.33 0.47 0.00 2.45 3.08 -1.38 -2.98 114.38 116.34 3dkw h ARG 201 Ca 0.03 -0.62 -0.09 0.00 0.07 0.00 0.00 59.98 59.37 3dkw h ARG 201 Cb 0.89 0.20 -0.01 0.00 0.08 0.00 0.00 29.97 31.13 3dkw h ARG 201 CO 0.07 1.25 -0.43 1.25 -1.07 0.00 0.00 179.97 181.04 3dkw h LEU 202 N -0.03 0.00 -0.25 3.04 5.85 -1.17 -3.00 115.31 119.76 3dkw h LEU 202 Ca -0.14 0.00 -0.21 0.00 0.84 0.00 0.00 57.88 58.37 3dkw h LEU 202 Cb 1.64 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.67 3dkw h LEU 202 CO 0.18 0.43 -0.86 1.23 -0.34 0.00 0.00 178.44 179.08 3dkw h GLY 203 N 1.73 0.49 1.63 3.75 0.00 -1.23 -3.18 103.07 106.26 3dkw h GLY 203 Ca -0.00 -0.79 0.00 0.00 0.00 0.00 0.00 47.33 46.54 3dkw h GLY 203 CO 0.06 0.70 -0.03 1.22 0.00 0.00 0.00 176.54 178.49 3dkw n ASP 204 N -3.79 0.06 -0.87 0.19 8.00 -1.13 -3.12 116.55 115.89 3dkw n ASP 204 Ca -0.06 0.02 0.03 0.00 0.71 0.00 0.00 54.79 55.49 3dkw n ASP 204 Cb 0.78 -0.32 0.15 0.00 -0.02 0.00 0.00 41.12 41.71 3dkw n ASP 204 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 3dkw n GLU 205 N -1.33 2.23 -3.11 -1.24 2.13 -1.14 -4.85 120.64 113.33 3dkw n GLU 205 Ca 0.12 -1.16 -0.14 0.00 0.66 0.00 0.00 57.16 56.64 3dkw n GLU 205 Cb 0.28 -1.61 0.06 0.00 0.27 0.00 0.00 31.44 30.44 3dkw n GLU 205 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3dkw n GLY 206 N 0.48 -0.09 1.22 8.31 0.00 -1.18 -4.95 105.19 108.98 3dkw n GLY 206 Ca 0.10 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.06 3dkw n GLY 206 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3dkw n ILE 207 N -3.66 0.81 -4.69 -0.61 5.41 -1.26 -4.57 119.36 110.79 3dkw n ILE 207 Ca -0.10 0.27 -0.23 0.00 1.00 0.00 0.00 62.75 63.69 3dkw n ILE 207 Cb 0.58 -1.37 -0.15 0.00 -0.71 0.00 0.00 39.64 37.99 3dkw n ILE 207 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 3dkw s ILE 208 N -2.00 1.17 -0.44 1.39 1.01 -1.26 -0.49 121.20 120.58 3dkw s ILE 208 Ca 0.00 -0.63 -0.22 0.00 0.00 0.00 0.00 60.65 59.80 3dkw s ILE 208 Cb 0.00 -0.98 0.02 0.00 0.01 0.00 0.00 42.46 41.52 3dkw s ILE 208 CO 0.00 0.33 0.74 -1.00 0.00 0.00 0.00 174.94 175.01 3dkw s HIS 209 N -0.32 3.02 -0.13 3.97 3.76 0.15 -4.42 115.29 121.33 3dkw s HIS 209 Ca 0.05 0.10 -0.00 0.00 -0.15 0.00 0.00 55.06 55.06 3dkw s HIS 209 Cb -0.06 -3.56 -0.02 0.00 1.11 0.00 0.00 32.58 30.06 3dkw s HIS 209 CO -0.00 -0.94 -0.13 -0.51 -0.85 0.00 0.00 174.74 172.30 3dkw s LEU 210 N 3.14 2.74 0.00 0.89 1.43 -1.26 -3.15 118.68 122.47 3dkw s LEU 210 Ca 0.28 -0.31 0.00 0.00 -1.03 0.00 0.00 54.13 53.07 3dkw s LEU 210 Cb -0.13 -1.62 0.00 0.00 0.03 0.00 0.00 46.19 44.48 3dkw s LEU 210 CO 0.21 0.18 0.00 0.47 0.23 0.00 0.00 176.35 177.44 3dkw n ASP 211 N 3.45 0.33 0.00 2.29 8.00 -1.26 -5.09 116.55 124.28 3dkw n ASP 211 Ca -0.18 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.32 3dkw n ASP 211 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.63 3dkw n ASP 211 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3dkw n GLY 212 N 1.78 -1.00 4.53 0.44 0.00 -1.26 -4.99 105.19 104.70 3dkw n GLY 212 Ca 0.00 0.82 0.00 0.00 0.00 0.00 0.00 46.02 46.84 3dkw n GLY 212 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dkw n ARG 213 N 0.00 0.00 -2.13 1.61 1.74 -1.26 -4.92 116.66 111.69 3dkw n ARG 213 Ca 0.00 0.00 -0.43 0.00 -0.77 0.00 0.00 57.85 56.65 3dkw n ARG 213 Cb 0.00 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 31.42 3dkw n ARG 213 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 3dkw s GLU 214 N 0.00 3.81 -0.09 5.56 2.12 -1.26 -4.31 118.70 124.52 3dkw s GLU 214 Ca 0.00 1.64 0.02 0.00 0.36 0.00 0.00 54.97 56.99 3dkw s GLU 214 Cb 0.00 -4.02 -0.02 0.00 0.26 0.00 0.00 34.13 30.35 3dkw s GLU 214 CO 0.00 -1.27 -0.14 0.42 -0.54 0.00 0.00 175.26 173.73 3dkw s ILE 215 N 5.12 3.02 -0.12 -3.70 1.01 -1.26 -4.11 121.20 121.16 3dkw s ILE 215 Ca 0.70 -0.70 -0.06 0.00 0.00 0.00 0.00 60.65 60.59 3dkw s ILE 215 Cb -0.24 -2.23 0.05 0.00 0.01 0.00 0.00 42.46 40.05 3dkw s ILE 215 CO 0.29 0.55 0.28 -0.94 0.00 0.00 0.00 174.94 175.12 3dkw s SER 216 N -0.13 -0.18 0.22 3.58 1.04 -1.19 -3.80 113.70 113.24 3dkw s SER 216 Ca -0.01 0.60 0.03 0.00 0.48 0.00 0.00 55.95 57.05 3dkw s SER 216 Cb -0.14 0.54 -0.03 0.00 0.10 0.00 0.00 66.02 66.49 3dkw s SER 216 CO 0.03 -0.19 0.35 -0.51 0.98 0.00 0.00 173.24 173.91 3dkw s ILE 217 N 1.54 5.27 0.00 -1.02 2.07 -1.26 0.34 121.20 128.13 3dkw s ILE 217 Ca -0.07 -0.81 0.00 0.00 -1.41 0.00 0.00 60.65 58.36 3dkw s ILE 217 Cb -0.10 -3.81 0.00 0.00 0.13 0.00 0.00 42.46 38.67 3dkw s ILE 217 CO -0.09 -0.26 0.00 0.18 -1.91 0.00 0.00 174.94 172.86 3dkw n LEU 218 N -1.12 0.00 -4.82 8.50 4.77 0.36 -4.92 117.00 119.78 3dkw n LEU 218 Ca -0.08 0.00 -0.37 0.00 -0.03 0.00 0.00 56.01 55.54 3dkw n LEU 218 Cb 0.56 -0.04 -0.07 0.00 -2.33 0.00 0.00 43.42 41.55 3dkw n LEU 218 CO 0.47 -0.14 -0.12 -0.62 -1.33 0.00 0.00 177.39 175.65 3dkw s ASP 219 N -0.97 6.40 0.00 -1.43 2.15 -1.23 -4.97 116.67 116.62 3dkw s ASP 219 Ca 0.00 0.47 0.07 0.00 0.43 0.00 0.00 52.55 53.53 3dkw s ASP 219 Cb 0.00 -2.11 -0.02 0.00 -0.30 0.00 0.00 42.92 40.49 3dkw s ASP 219 CO 0.00 0.30 0.49 0.54 -0.17 0.00 0.00 175.17 176.33 3dkw n ARG 220 N 2.57 2.79 -0.09 4.34 1.74 -1.26 -4.49 116.66 122.26 3dkw n ARG 220 Ca -0.17 -0.40 -0.11 0.00 -0.77 0.00 0.00 57.85 56.40 3dkw n ARG 220 Cb 0.53 -0.96 -0.04 0.00 -1.02 0.00 0.00 32.46 30.97 3dkw n ARG 220 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 3dkw h GLU 221 N 0.65 0.43 -0.00 5.56 5.08 -2.01 -2.31 114.58 121.98 3dkw h GLU 221 Ca 0.00 -0.11 -0.15 0.00 -1.00 0.00 0.00 59.36 58.10 3dkw h GLU 221 Cb 0.23 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 3dkw h GLU 221 CO 0.00 0.54 -0.70 0.00 -1.00 0.00 0.00 179.01 177.84 3dkw h ARG 222 N 0.25 0.02 -0.45 2.33 3.08 -2.00 -3.07 114.38 114.54 3dkw h ARG 222 Ca 0.08 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.09 3dkw h ARG 222 Cb 0.31 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.34 3dkw h ARG 222 CO 0.00 0.72 0.18 1.25 -1.07 0.00 0.00 179.97 181.05 3dkw h LEU 223 N 0.02 0.58 -1.36 3.04 5.85 -1.75 -0.10 115.31 121.59 3dkw h LEU 223 Ca -0.01 -0.06 -0.07 0.00 0.84 0.00 0.00 57.88 58.58 3dkw h LEU 223 Cb 1.25 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 42.12 3dkw h LEU 223 CO 0.09 0.53 -0.31 -0.08 -0.34 0.00 0.00 178.44 178.33 3dkw h GLU 224 N 0.64 0.00 0.00 1.25 4.81 -1.32 -2.33 114.58 117.63 3dkw h GLU 224 Ca 0.16 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.39 3dkw h GLU 224 Cb 0.13 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.51 3dkw h GLU 224 CO -0.02 0.31 -0.64 0.00 -0.73 0.00 0.00 179.01 177.94 3dkw n PHE 226 N -2.58 2.54 1.64 0.00 3.72 -0.16 -5.11 117.46 117.50 3dkw n PHE 226 Ca 0.02 -1.58 0.13 0.00 -0.05 0.00 0.00 57.45 55.97 3dkw n PHE 226 Cb 0.51 -0.78 0.78 0.00 -0.94 0.00 0.00 39.48 39.04 3dkw n PHE 226 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10