#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dkw s GLU 2 N 0.00 2.82 0.36 0.03 2.02 -1.26 -4.93 118.70 117.74 3dkw s GLU 2 Ca 0.00 0.52 0.00 0.00 0.02 0.00 0.00 54.97 55.51 3dkw s GLU 2 Cb 0.00 -2.01 0.00 0.00 0.10 0.00 0.00 34.13 32.22 3dkw s GLU 2 CO 0.00 -1.07 0.00 1.19 0.02 0.00 0.00 175.26 175.40 3dkw n PHE 3 N -3.04 -2.45 -0.10 1.61 3.72 -1.26 -4.92 117.46 111.02 3dkw n PHE 3 Ca 0.07 1.34 -0.17 0.00 -0.05 0.00 0.00 57.45 58.64 3dkw n PHE 3 Cb 0.57 -2.25 -0.08 0.00 -0.94 0.00 0.00 39.48 36.78 3dkw n PHE 3 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 176.76 177.65 3dkw n GLN 4 N -2.55 0.53 -3.95 -1.08 7.27 -1.26 -4.99 117.38 111.35 3dkw n GLN 4 Ca -0.02 0.48 -0.31 0.00 0.07 0.00 0.00 57.00 57.23 3dkw n GLN 4 Cb 0.32 -1.66 0.02 0.00 2.41 0.00 0.00 30.24 31.33 3dkw n GLN 4 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 3dkw n ARG 5 N -4.46 -5.18 -0.01 3.69 1.74 -1.26 -4.84 116.66 106.34 3dkw n ARG 5 Ca -0.27 0.57 -0.01 0.00 -0.77 0.00 0.00 57.85 57.37 3dkw n ARG 5 Cb 0.58 -5.42 -0.01 0.00 -1.02 0.00 0.00 32.46 26.60 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 -4.63 0.07 -1.56 1.55 0.31 -1.26 -4.80 118.33 108.01 3dkw n VAL 6 Ca 0.03 -0.03 0.06 0.00 -0.01 0.00 0.00 64.34 64.40 3dkw n VAL 6 Cb 0.53 -0.60 0.11 0.00 -0.91 0.00 0.00 33.84 32.97 3dkw n VAL 6 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 3dkw n HIS 7 N -2.47 0.00 0.09 3.52 8.25 -1.26 -4.75 115.22 118.60 3dkw n HIS 7 Ca -0.02 -0.85 -0.16 0.00 -0.26 0.00 0.00 57.72 56.43 3dkw n HIS 7 Cb 0.52 -0.15 -0.10 0.00 1.12 0.00 0.00 29.99 31.39 3dkw n HIS 7 CO 0.00 0.00 0.00 1.96 0.64 0.00 0.00 176.34 178.94 3dkw h GLN 8 N 0.36 0.42 0.00 -0.41 4.20 -1.96 -3.25 115.11 114.47 3dkw h GLN 8 Ca -0.03 -0.55 -0.00 0.00 0.06 0.00 0.00 58.65 58.13 3dkw h GLN 8 Cb 1.19 0.18 -0.00 0.00 0.30 0.00 0.00 27.48 29.15 3dkw h GLN 8 CO 0.01 1.21 -0.72 -0.56 -0.67 0.00 0.00 178.83 178.10 3dkw h GLN 9 N 0.19 0.00 0.00 1.46 3.07 -1.94 -3.33 115.11 114.56 3dkw h GLN 9 Ca -0.13 0.00 -0.09 0.00 0.09 0.00 0.00 58.65 58.53 3dkw h GLN 9 Cb 1.79 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 29.34 3dkw h GLN 9 CO 0.20 0.01 -0.41 1.25 0.09 0.00 0.00 178.83 179.96 3dkw h LEU 10 N 0.00 0.00 -0.19 0.06 5.85 -1.85 -2.83 115.31 116.35 3dkw h LEU 10 Ca -0.00 0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.60 3dkw h LEU 10 Cb 1.01 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.02 3dkw h LEU 10 CO 0.00 0.41 -0.56 -0.07 -0.34 0.00 0.00 178.44 177.88 3dkw h LEU 11 N 0.00 0.00 -1.81 2.25 3.38 -1.66 -3.23 115.31 114.24 3dkw h LEU 11 Ca -0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 3dkw h LEU 11 Cb 0.84 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.59 3dkw h LEU 11 CO 0.05 0.56 -0.08 -0.61 0.09 0.00 0.00 178.44 178.46 3dkw h GLN 12 N 0.00 0.00 0.00 1.13 4.15 -1.64 -2.03 115.11 116.72 3dkw h GLN 12 Ca -0.01 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.41 3dkw h GLN 12 Cb 1.35 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.04 3dkw h GLN 12 CO 0.07 0.08 0.00 0.66 -1.93 0.00 0.00 178.83 177.71 3dkw h SER 13 N 0.00 0.00 -4.18 -0.69 4.64 -1.63 -3.32 113.55 108.36 3dkw h SER 13 Ca -0.00 0.00 -0.48 0.00 -0.47 0.00 0.00 61.79 60.84 3dkw h SER 13 Cb 0.41 0.00 0.04 0.00 -0.31 0.00 0.00 62.40 62.54 3dkw h SER 13 CO 0.01 0.00 0.38 -2.28 -0.87 0.00 0.00 176.83 174.07 3dkw s HIS 14 N -3.55 3.14 0.19 4.77 5.65 -0.76 -4.95 115.29 119.78 3dkw s HIS 14 Ca 0.02 1.50 0.18 0.00 0.25 0.00 0.00 55.06 57.02 3dkw s HIS 14 Cb 0.09 -2.94 0.71 0.00 -1.18 0.00 0.00 32.58 29.25 3dkw s HIS 14 CO 0.48 -0.85 1.75 1.12 -0.65 0.00 0.00 174.74 176.59 3dkw h HIS 15 N 0.70 0.00 0.00 3.88 2.07 -1.87 -2.25 115.15 117.69 3dkw h HIS 15 Ca -0.47 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.05 3dkw h HIS 15 Cb 1.21 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.19 3dkw h HIS 15 CO 0.60 0.37 -0.27 -0.07 -3.07 0.00 0.00 177.93 175.49 3dkw h LEU 16 N 0.00 0.00 -1.99 6.12 3.38 -1.93 -3.32 115.31 117.58 3dkw h LEU 16 Ca -0.00 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.90 3dkw h LEU 16 Cb 0.86 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.61 3dkw h LEU 16 CO 0.05 0.03 0.00 0.49 0.09 0.00 0.00 178.44 179.10 3dkw n PHE 17 N -2.38 0.08 -0.03 1.13 3.01 -1.13 -4.70 117.46 113.44 3dkw n PHE 17 Ca 0.04 -0.23 -0.15 0.00 1.01 0.00 0.00 57.45 58.12 3dkw n PHE 17 Cb 0.46 -0.02 -0.12 0.00 -0.01 0.00 0.00 39.48 39.79 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 0.84 0.16 0.00 -1.08 4.57 -1.50 -3.30 114.58 114.27 3dkw h GLU 18 Ca 0.00 -0.18 0.00 0.00 -1.18 0.00 0.00 59.36 58.00 3dkw h GLU 18 Cb 0.37 0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.01 3dkw h GLU 18 CO 0.00 0.94 0.00 -1.00 -1.18 0.00 0.00 179.01 177.77 3dkw h PRO 19 N -0.54 0.00 -6.87 0.92 0.13 -1.84 -3.45 132.00 120.35 3dkw h PRO 19 Ca -0.03 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.58 3dkw h PRO 19 Cb 1.03 0.00 0.05 0.00 0.13 0.00 0.00 31.00 32.21 3dkw h PRO 19 CO 0.05 0.00 0.56 -0.51 -0.23 0.00 0.00 178.00 177.87 3dkw s LEU 20 N -5.22 4.41 0.53 1.56 1.43 -1.24 -5.00 118.68 115.15 3dkw s LEU 20 Ca 0.04 2.49 -0.13 0.00 -1.03 0.00 0.00 54.13 55.51 3dkw s LEU 20 Cb 0.09 -3.72 -0.06 0.00 0.03 0.00 0.00 46.19 42.53 3dkw s LEU 20 CO 0.49 -0.45 0.95 -0.94 0.23 0.00 0.00 176.35 176.63 3dkw s SER 21 N -0.75 6.43 0.65 2.29 1.04 -1.26 -4.85 113.70 117.26 3dkw s SER 21 Ca 0.49 1.38 0.40 0.00 0.48 0.00 0.00 55.95 58.70 3dkw s SER 21 Cb -0.35 -2.44 2.21 0.00 0.10 0.00 0.00 66.02 65.53 3dkw s SER 21 CO 0.46 -0.66 2.31 1.55 0.98 0.00 0.00 173.24 177.88 3dkw h PRO 22 N 0.47 0.00 -0.10 4.02 0.13 -1.97 0.27 132.00 134.82 3dkw h PRO 22 Ca -0.46 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.45 3dkw h PRO 22 Cb 1.19 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.33 3dkw h PRO 22 CO 0.62 0.00 -0.83 0.28 -0.23 0.00 0.00 178.00 177.84 3dkw h VAL 23 N 0.00 1.31 0.00 1.56 2.07 -2.00 -2.51 116.25 116.68 3dkw h VAL 23 Ca 0.00 -2.10 0.00 0.00 0.82 0.00 0.00 66.70 65.42 3dkw h VAL 23 Cb 0.07 2.12 0.00 0.00 -1.52 0.00 0.00 31.29 31.96 3dkw h VAL 23 CO -0.00 0.65 -0.91 0.00 0.02 0.00 0.00 177.57 177.33 3dkw n GLN 24 N -3.88 0.36 0.11 1.57 6.02 -0.49 -3.51 117.38 117.56 3dkw n GLN 24 Ca -0.07 0.05 -0.23 0.00 -0.01 0.00 0.00 57.00 56.73 3dkw n GLN 24 Cb 0.77 -1.67 -0.15 0.00 1.02 0.00 0.00 30.24 30.22 3dkw n GLN 24 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 3dkw h LEU 25 N 0.00 0.80 -0.51 1.08 5.85 -0.55 -2.61 115.31 119.38 3dkw h LEU 25 Ca 0.00 -0.89 -0.16 0.00 0.84 0.00 0.00 57.88 57.68 3dkw h LEU 25 Cb 0.79 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.56 3dkw h LEU 25 CO 0.00 1.62 -0.49 -0.61 -0.34 0.00 0.00 178.44 178.62 3dkw h GLN 26 N 0.11 0.66 0.00 1.25 -0.00 -1.60 -2.41 115.11 113.12 3dkw h GLN 26 Ca -0.21 -0.38 -0.09 0.00 -0.00 0.00 0.00 58.65 57.96 3dkw h GLN 26 Cb 1.98 0.03 -0.01 0.00 0.00 0.00 0.00 27.48 29.48 3dkw h GLN 26 CO 0.24 1.00 -0.45 1.49 0.00 0.00 0.00 178.83 181.12 3dkw h GLU 27 N 0.52 0.00 0.00 1.69 4.81 -1.65 -2.65 114.58 117.30 3dkw h GLU 27 Ca 0.02 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.11 3dkw h GLU 27 Cb 1.04 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.40 3dkw h GLU 27 CO 0.10 0.45 -0.69 1.25 -0.73 0.00 0.00 179.01 179.39 3dkw h LEU 28 N 0.00 0.00 -1.45 1.64 5.85 -1.29 -2.94 115.31 117.12 3dkw h LEU 28 Ca -0.00 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.67 3dkw h LEU 28 Cb 0.79 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.82 3dkw h LEU 28 CO 0.06 0.69 -0.22 -0.07 -0.34 0.00 0.00 178.44 178.56 3dkw h LEU 29 N 0.00 0.00 -0.33 2.25 3.38 -1.07 -2.88 115.31 116.66 3dkw h LEU 29 Ca -0.01 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.78 3dkw h LEU 29 Cb 1.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.99 3dkw h LEU 29 CO 0.09 0.22 -0.58 0.00 0.09 0.00 0.00 178.44 178.25 3dkw h ALA 30 N 1.78 0.50 -0.61 1.53 0.00 -1.40 -3.14 119.26 117.92 3dkw h ALA 30 Ca -0.00 -0.53 -0.39 0.00 0.00 0.00 0.00 54.91 53.99 3dkw h ALA 30 Cb 0.58 -0.07 -0.18 0.00 0.00 0.00 0.00 17.79 18.12 3dkw h ALA 30 CO 0.03 0.69 0.51 0.45 0.00 0.00 0.00 179.25 180.92 3dkw n SER 31 N -3.98 6.07 -3.82 0.00 2.88 -1.09 -4.84 113.62 108.84 3dkw n SER 31 Ca -0.04 -3.19 -0.17 0.00 -1.33 0.00 0.00 58.87 54.14 3dkw n SER 31 Cb 0.64 -0.97 -0.16 0.00 -0.75 0.00 0.00 64.21 62.98 3dkw n SER 31 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 3dkw s SER 32 N -0.34 0.37 -0.19 -3.46 1.04 -1.19 -2.99 113.70 106.94 3dkw s SER 32 Ca 0.38 -0.02 -0.04 0.00 0.48 0.00 0.00 55.95 56.76 3dkw s SER 32 Cb 0.31 -0.20 -0.02 0.00 0.10 0.00 0.00 66.02 66.21 3dkw s SER 32 CO 0.01 -0.10 -0.04 -1.81 0.98 0.00 0.00 173.24 172.29 3dkw s ASP 33 N 0.96 4.57 -0.20 7.02 1.01 -1.12 -4.90 116.67 124.02 3dkw s ASP 33 Ca -0.10 -0.26 -0.24 0.00 0.71 0.00 0.00 52.55 52.67 3dkw s ASP 33 Cb -0.13 -1.77 -0.02 0.00 1.01 0.00 0.00 42.92 42.02 3dkw s ASP 33 CO -0.02 0.07 0.76 -0.22 0.21 0.00 0.00 175.17 175.98 3dkw s LEU 34 N 0.93 4.14 -0.03 1.23 2.96 -1.26 -0.84 118.68 125.81 3dkw s LEU 34 Ca 0.00 1.03 0.02 0.00 -0.22 0.00 0.00 54.13 54.95 3dkw s LEU 34 Cb -0.15 -3.11 0.01 0.00 0.50 0.00 0.00 46.19 43.45 3dkw s LEU 34 CO 0.01 -0.39 -0.05 0.54 -1.32 0.00 0.00 176.35 175.14 3dkw s VAL 35 N 2.25 0.52 -0.14 1.68 0.11 -0.52 -5.01 120.40 119.29 3dkw s VAL 35 Ca 0.34 -0.19 -0.12 0.00 -2.93 0.00 0.00 61.98 59.08 3dkw s VAL 35 Cb -0.16 -0.50 -0.05 0.00 -1.53 0.00 0.00 36.38 34.15 3dkw s VAL 35 CO 0.10 0.19 0.26 0.20 -3.33 0.00 0.00 175.10 172.52 3dkw s ASN 36 N 0.41 6.44 0.00 3.54 -0.87 -1.26 -1.62 114.94 121.58 3dkw s ASN 36 Ca -0.05 0.51 0.04 0.00 -1.57 0.00 0.00 52.86 51.79 3dkw s ASN 36 Cb -0.09 -2.16 -0.03 0.00 -0.02 0.00 0.00 41.25 38.95 3dkw s ASN 36 CO -0.00 0.19 -0.11 -0.76 -2.57 0.00 0.00 177.10 173.85 3dkw s LEU 37 N 0.02 2.93 0.72 0.60 1.43 0.29 -5.01 118.68 119.67 3dkw s LEU 37 Ca 0.16 -0.22 -0.01 0.00 -1.03 0.00 0.00 54.13 53.03 3dkw s LEU 37 Cb -0.13 -1.68 0.13 0.00 0.03 0.00 0.00 46.19 44.54 3dkw s LEU 37 CO 0.04 0.29 0.99 -0.62 0.23 0.00 0.00 176.35 177.28 3dkw s ASP 38 N -1.26 4.36 -0.14 2.29 3.68 -1.26 -1.71 116.67 122.62 3dkw s ASP 38 Ca 0.15 -0.38 -0.29 0.00 2.13 0.00 0.00 52.55 54.16 3dkw s ASP 38 Cb -0.11 -0.00 -0.03 0.00 -1.45 0.00 0.00 42.92 41.32 3dkw s ASP 38 CO 0.05 -1.86 1.52 -0.75 0.13 0.00 0.00 175.17 174.27 3dkw s LYS 39 N -5.13 4.08 0.00 4.34 2.20 -1.26 -2.33 119.74 121.64 3dkw s LYS 39 Ca 0.66 1.87 0.00 0.00 -0.36 0.00 0.00 55.97 58.14 3dkw s LYS 39 Cb -0.05 -3.93 0.00 0.00 -1.51 0.00 0.00 37.83 32.33 3dkw s LYS 39 CO 0.44 -0.93 0.00 0.41 -0.36 0.00 0.00 175.35 174.91 3dkw n GLY 40 N 4.13 1.86 3.77 5.54 0.00 -1.01 -5.05 105.19 114.43 3dkw n GLY 40 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.41 3.03 -0.19 4.61 0.00 -0.98 -4.81 121.76 121.01 3dkw s ALA 41 Ca 0.00 1.00 -0.10 0.00 0.00 0.00 0.00 51.96 52.85 3dkw s ALA 41 Cb 0.00 -3.40 -0.05 0.00 0.00 0.00 0.00 23.12 19.67 3dkw s ALA 41 CO 0.00 -0.69 0.15 0.71 0.00 0.00 0.00 175.76 175.93 3dkw s TYR 42 N -1.47 3.43 -0.02 0.00 1.51 -1.26 -2.20 117.35 117.35 3dkw s TYR 42 Ca 0.62 0.38 -0.22 0.00 -1.01 0.00 0.00 57.07 56.84 3dkw s TYR 42 Cb -0.31 -2.16 -0.14 0.00 -0.11 0.00 0.00 41.96 39.24 3dkw s TYR 42 CO 0.38 0.33 0.99 0.28 -1.11 0.00 0.00 175.55 176.41 3dkw h VAL 43 N 4.61 0.51 -2.82 0.71 2.07 -1.83 -3.47 116.25 116.03 3dkw h VAL 43 Ca -0.42 -0.72 -0.12 0.00 0.82 0.00 0.00 66.70 66.26 3dkw h VAL 43 Cb 1.16 0.80 -0.22 0.00 -1.52 0.00 0.00 31.29 31.51 3dkw h VAL 43 CO 0.74 0.11 -0.23 0.72 0.02 0.00 0.00 177.57 178.93 3dkw s PHE 44 N -4.02 -0.36 0.17 1.57 -0.71 -1.25 -5.01 117.98 108.37 3dkw s PHE 44 Ca -0.12 0.78 0.05 0.00 -1.04 0.00 0.00 56.93 56.59 3dkw s PHE 44 Cb 0.01 0.15 -0.04 0.00 -1.21 0.00 0.00 43.02 41.93 3dkw s PHE 44 CO 0.45 -0.30 0.15 1.03 -1.34 0.00 0.00 175.22 175.20 3dkw s ARG 45 N -0.45 2.92 0.08 1.99 0.52 -1.26 0.34 118.95 123.09 3dkw s ARG 45 Ca -0.06 -0.87 -0.31 0.00 -0.52 0.00 0.00 55.73 53.97 3dkw s ARG 45 Cb -0.04 -2.65 -0.09 0.00 0.52 0.00 0.00 34.95 32.70 3dkw s ARG 45 CO 0.03 0.48 1.68 -1.14 0.02 0.00 0.00 175.30 176.36 3dkw s GLN 46 N -3.15 4.19 0.00 3.54 0.74 -1.10 -2.11 119.66 121.76 3dkw s GLN 46 Ca 0.31 2.38 0.00 0.00 0.05 0.00 0.00 55.36 58.10 3dkw s GLN 46 Cb -0.10 -3.57 0.00 0.00 1.10 0.00 0.00 33.01 30.44 3dkw s GLN 46 CO 0.24 -0.75 0.00 0.41 -0.55 0.00 0.00 175.29 174.64 3dkw n GLY 47 N 4.02 1.47 3.74 2.59 0.00 -1.15 -4.96 105.19 110.91 3dkw n GLY 47 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.60 4.72 0.17 1.61 2.02 -0.90 -4.81 118.70 120.91 3dkw s GLU 48 Ca 0.00 1.52 -0.33 0.00 0.02 0.00 0.00 54.97 56.18 3dkw s GLU 48 Cb 0.00 -3.33 -0.12 0.00 0.10 0.00 0.00 34.13 30.78 3dkw s GLU 48 CO 0.00 0.27 1.70 -2.30 0.02 0.00 0.00 175.26 174.95 3dkw n PRO 49 N 2.32 2.55 -2.92 0.39 -0.02 -1.26 -1.04 135.00 135.01 3dkw n PRO 49 Ca 0.01 0.92 -0.42 0.00 -2.02 0.00 0.00 63.50 61.99 3dkw n PRO 49 Cb 0.48 -2.75 -0.05 0.00 -0.02 0.00 0.00 33.50 31.16 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 1.48 3.53 0.00 3.55 0.00 0.23 -4.79 121.76 125.75 3dkw s ALA 50 Ca 0.78 -0.40 0.00 0.00 0.00 0.00 0.00 51.96 52.34 3dkw s ALA 50 Cb -0.57 -3.32 0.00 0.00 0.00 0.00 0.00 23.12 19.23 3dkw s ALA 50 CO 0.36 -1.22 0.09 0.72 0.00 0.00 0.00 175.76 175.71 3dkw n HIS 51 N 6.25 0.00 -3.63 0.00 8.25 -1.26 -4.81 115.22 120.01 3dkw n HIS 51 Ca 0.04 -0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.37 3dkw n HIS 51 Cb 0.48 -0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.52 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 -0.01 -1.80 0.14 -1.41 0.00 -1.26 -0.42 121.76 116.99 3dkw s ALA 52 Ca 0.00 2.07 0.03 0.00 0.00 0.00 0.00 51.96 54.06 3dkw s ALA 52 Cb 0.00 -1.23 -0.04 0.00 0.00 0.00 0.00 23.12 21.86 3dkw s ALA 52 CO 0.00 -0.34 0.23 -0.59 0.00 0.00 0.00 175.76 175.06 3dkw s PHE 53 N 0.53 3.40 0.11 0.00 -0.71 0.14 -4.87 117.98 116.59 3dkw s PHE 53 Ca -0.01 0.10 0.05 0.00 -1.04 0.00 0.00 56.93 56.03 3dkw s PHE 53 Cb -0.05 -1.64 -0.04 0.00 -1.21 0.00 0.00 43.02 40.08 3dkw s PHE 53 CO -0.02 0.53 0.02 0.71 -1.34 0.00 0.00 175.22 175.12 3dkw s TYR 54 N -1.69 3.00 -0.13 3.49 1.51 -1.25 -1.84 117.35 120.43 3dkw s TYR 54 Ca 0.33 -0.03 0.01 0.00 -1.01 0.00 0.00 57.07 56.37 3dkw s TYR 54 Cb -0.11 -1.52 0.02 0.00 -0.11 0.00 0.00 41.96 40.24 3dkw s TYR 54 CO 0.27 0.49 -0.15 -0.47 -1.11 0.00 0.00 175.55 174.58 3dkw s TYR 55 N -1.44 2.12 -0.21 2.71 6.14 -0.48 -3.25 117.35 122.94 3dkw s TYR 55 Ca 0.27 -1.09 -0.18 0.00 0.64 0.00 0.00 57.07 56.71 3dkw s TYR 55 Cb -0.11 -1.53 -0.03 0.00 0.42 0.00 0.00 41.96 40.71 3dkw s TYR 55 CO 0.19 -0.57 0.49 -1.17 0.64 0.00 0.00 175.55 175.14 3dkw s LEU 56 N 1.19 4.13 -0.21 6.97 2.96 -1.05 -1.30 118.68 131.38 3dkw s LEU 56 Ca -0.02 0.61 -0.15 0.00 -0.22 0.00 0.00 54.13 54.35 3dkw s LEU 56 Cb -0.14 -2.66 -0.19 0.00 0.50 0.00 0.00 46.19 43.70 3dkw s LEU 56 CO -0.06 -0.18 0.09 -0.38 -1.32 0.00 0.00 176.35 174.50 3dkw n ILE 57 N 4.65 1.58 -3.84 6.68 -0.00 -1.06 -0.70 119.36 126.66 3dkw n ILE 57 Ca -0.05 -0.26 -0.12 0.00 -0.00 0.00 0.00 62.75 62.31 3dkw n ILE 57 Cb 0.50 -1.90 -0.13 0.00 -0.00 0.00 0.00 39.64 38.11 3dkw n ILE 57 CO 0.00 0.00 0.00 -0.94 -0.00 0.00 0.00 176.55 175.61 3dkw s SER 58 N -7.01 -0.09 0.00 4.38 1.04 -1.25 -3.68 113.70 107.09 3dkw s SER 58 Ca -0.30 0.15 0.00 0.00 0.48 0.00 0.00 55.95 56.28 3dkw s SER 58 Cb 0.08 0.21 0.00 0.00 0.10 0.00 0.00 66.02 66.41 3dkw s SER 58 CO 0.60 -0.07 0.00 0.61 0.98 0.00 0.00 173.24 175.37 3dkw n GLY 59 N 2.87 -0.79 2.89 7.32 0.00 -1.26 -2.76 105.19 113.45 3dkw n GLY 59 Ca -0.13 -2.16 -0.13 0.00 0.00 0.00 0.00 46.02 43.60 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 0.52 1.24 0.23 0.00 1.01 -1.04 -2.81 120.40 119.55 3dkw s VAL 61 Ca -0.04 -0.48 0.05 0.00 0.00 0.00 0.00 61.98 61.51 3dkw s VAL 61 Cb -0.06 -1.17 -0.03 0.00 0.00 0.00 0.00 36.38 35.12 3dkw s VAL 61 CO -0.02 0.39 0.28 -1.59 0.00 0.00 0.00 175.10 174.17 3dkw s LYS 62 N 1.13 3.25 -0.03 2.72 -2.85 -0.06 -2.54 119.74 121.36 3dkw s LYS 62 Ca -0.05 -0.84 -0.05 0.00 -1.00 0.00 0.00 55.97 54.03 3dkw s LYS 62 Cb -0.14 -2.78 -0.03 0.00 -2.06 0.00 0.00 37.83 32.82 3dkw s LYS 62 CO -0.03 0.44 -0.11 -0.89 0.10 0.00 0.00 175.35 174.86 3dkw n ILE 63 N -1.15 0.98 -0.95 3.79 5.41 -1.26 -0.64 119.36 125.54 3dkw n ILE 63 Ca -0.08 0.14 0.09 0.00 1.00 0.00 0.00 62.75 63.89 3dkw n ILE 63 Cb 0.57 -1.75 -0.04 0.00 -0.71 0.00 0.00 39.64 37.72 3dkw n ILE 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3dkw n TYR 64 N -3.64 -1.78 -1.25 1.39 4.11 -1.26 -4.09 117.16 110.64 3dkw n TYR 64 Ca -0.10 0.95 0.01 0.00 -0.00 0.00 0.00 57.90 58.75 3dkw n TYR 64 Cb 0.36 -1.62 0.01 0.00 -0.00 0.00 0.00 39.34 38.09 3dkw n TYR 64 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.86 177.40 3dkw n ARG 65 N -3.20 0.39 0.00 -3.48 1.74 -0.77 -4.16 116.66 107.17 3dkw n ARG 65 Ca -0.02 -0.92 0.00 0.00 -0.77 0.00 0.00 57.85 56.14 3dkw n ARG 65 Cb 0.53 -0.62 0.00 0.00 -1.02 0.00 0.00 32.46 31.35 3dkw n ARG 65 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3dkw n LEU 66 N -0.15 0.00 0.00 0.55 4.77 -1.26 -4.88 117.00 116.03 3dkw n LEU 66 Ca 0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 3dkw n LEU 66 Cb 0.55 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.64 3dkw n LEU 66 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.39 176.41 3dkw n THR 67 N 0.00 0.00 0.00 -5.08 -2.24 -1.26 -3.48 114.28 102.22 3dkw n THR 67 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3dkw n THR 67 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 3dkw n THR 67 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 3dkw n PRO 68 N -1.71 0.00 0.00 -0.78 -0.04 -1.26 -4.76 135.00 126.44 3dkw n PRO 68 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 3dkw n PRO 68 Cb 0.00 -0.28 0.00 0.00 -0.04 0.00 0.00 33.50 33.18 3dkw n PRO 68 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3dkw n GLU 69 N 0.00 0.00 0.00 0.54 1.02 -1.26 -4.63 120.64 116.31 3dkw n GLU 69 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3dkw n GLU 69 Cb 0.00 -0.36 0.00 0.00 -0.02 0.00 0.00 31.44 31.06 3dkw n GLU 69 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3dkw n GLY 70 N 1.45 0.00 0.00 0.62 0.00 -1.26 -4.84 105.19 101.15 3dkw n GLY 70 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3dkw n GLY 70 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3dkw n GLN 71 N 0.00 0.00 -3.52 1.61 6.02 -1.26 -5.06 117.38 115.18 3dkw n GLN 71 Ca 0.00 0.00 -0.29 0.00 -0.01 0.00 0.00 57.00 56.70 3dkw n GLN 71 Cb 0.00 0.00 -0.13 0.00 1.02 0.00 0.00 30.24 31.13 3dkw n GLN 71 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 3dkw s GLU 72 N 0.00 0.46 -0.55 -1.09 2.02 -1.24 -4.32 118.70 113.98 3dkw s GLU 72 Ca 0.00 -1.05 -0.27 0.00 0.02 0.00 0.00 54.97 53.67 3dkw s GLU 72 Cb 0.00 -1.33 0.03 0.00 0.10 0.00 0.00 34.13 32.93 3dkw s GLU 72 CO 0.00 -1.13 1.10 0.21 0.02 0.00 0.00 175.26 175.47 3dkw s LYS 73 N 1.45 3.50 -0.06 1.61 2.20 -1.23 -4.89 119.74 122.33 3dkw s LYS 73 Ca 0.14 0.17 -0.28 0.00 -0.36 0.00 0.00 55.97 55.64 3dkw s LYS 73 Cb -0.20 -4.00 -0.03 0.00 -1.51 0.00 0.00 37.83 32.09 3dkw s LYS 73 CO -0.14 -1.56 0.91 0.42 -0.36 0.00 0.00 175.35 174.62 3dkw s ILE 74 N 4.55 4.89 -0.18 5.43 -1.09 -1.26 -1.85 121.20 131.69 3dkw s ILE 74 Ca 0.40 1.88 -0.11 0.00 -2.23 0.00 0.00 60.65 60.60 3dkw s ILE 74 Cb -0.09 -4.24 -0.22 0.00 -1.58 0.00 0.00 42.46 36.33 3dkw s ILE 74 CO 0.25 0.13 0.18 0.18 -1.23 0.00 0.00 174.94 174.45 3dkw n LEU 75 N 4.29 2.38 -3.70 2.97 4.32 -1.26 -4.92 117.00 121.08 3dkw n LEU 75 Ca 0.05 0.25 -0.11 0.00 -0.02 0.00 0.00 56.01 56.18 3dkw n LEU 75 Cb 0.50 -1.02 -0.11 0.00 -1.62 0.00 0.00 43.42 41.17 3dkw n LEU 75 CO 0.51 0.66 0.01 -1.83 -1.22 0.00 0.00 177.39 175.51 3dkw s GLU 76 N -2.49 0.34 -0.21 3.23 -1.05 -1.26 -5.08 118.70 112.17 3dkw s GLU 76 Ca -0.27 0.75 -0.15 0.00 -0.15 0.00 0.00 54.97 55.14 3dkw s GLU 76 Cb 0.07 -0.02 -0.04 0.00 -0.44 0.00 0.00 34.13 33.71 3dkw s GLU 76 CO 0.67 -0.17 0.38 0.08 0.95 0.00 0.00 175.26 177.17 3dkw s VAL 77 N 1.51 5.21 -0.21 1.83 1.01 -1.26 -4.24 120.40 124.24 3dkw s VAL 77 Ca -0.08 0.66 -0.12 0.00 0.00 0.00 0.00 61.98 62.43 3dkw s VAL 77 Cb -0.09 -3.71 -0.05 0.00 0.00 0.00 0.00 36.38 32.53 3dkw s VAL 77 CO -0.12 0.25 0.24 -0.89 0.00 0.00 0.00 175.10 174.58 3dkw s THR 78 N 1.36 5.31 0.10 3.92 2.01 -1.05 -5.04 115.64 122.26 3dkw s THR 78 Ca 0.18 0.38 0.01 0.00 0.31 0.00 0.00 61.69 62.57 3dkw s THR 78 Cb -0.15 -3.58 0.02 0.00 0.01 0.00 0.00 72.50 68.80 3dkw s THR 78 CO 0.08 0.33 0.14 0.59 -0.69 0.00 0.00 174.62 175.07 3dkw n ASN 79 N 4.16 0.34 -4.78 3.53 4.13 -1.26 -2.49 115.26 118.89 3dkw n ASN 79 Ca -0.13 -1.25 -0.36 0.00 1.68 0.00 0.00 54.58 54.52 3dkw n ASN 79 Cb 0.52 -0.08 -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 -2.49 4.13 -0.91 3.52 -1.05 -1.23 -3.52 118.70 117.15 3dkw s GLU 80 Ca 0.10 1.52 0.00 0.00 -0.15 0.00 0.00 54.97 56.45 3dkw s GLU 80 Cb -0.01 -2.52 0.00 0.00 -0.44 0.00 0.00 34.13 31.17 3dkw s GLU 80 CO 0.07 -0.18 0.00 0.54 0.95 0.00 0.00 175.26 176.64 3dkw n ARG 81 N -0.13 -0.82 -4.00 -4.83 1.74 0.12 -5.00 116.66 103.74 3dkw n ARG 81 Ca 0.05 0.54 -0.10 0.00 -0.77 0.00 0.00 57.85 57.57 3dkw n ARG 81 Cb 0.50 -4.61 -0.11 0.00 -1.02 0.00 0.00 32.46 27.22 3dkw n ARG 81 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 3dkw s ASN 82 N -2.56 0.40 0.14 0.55 0.02 -1.20 -5.01 114.94 107.29 3dkw s ASN 82 Ca 0.00 -0.50 -0.01 0.00 -1.02 0.00 0.00 52.86 51.32 3dkw s ASN 82 Cb 0.00 0.08 -0.04 0.00 0.02 0.00 0.00 41.25 41.31 3dkw s ASN 82 CO 0.00 -0.27 0.32 0.42 0.02 0.00 0.00 177.10 177.59 3dkw s THR 83 N -1.41 5.26 -0.02 1.60 -4.23 -1.26 -2.52 115.64 113.06 3dkw s THR 83 Ca -0.14 -0.31 -0.01 0.00 -1.18 0.00 0.00 61.69 60.04 3dkw s THR 83 Cb -0.10 -3.68 0.01 0.00 1.34 0.00 0.00 72.50 70.07 3dkw s THR 83 CO -0.01 -0.02 0.05 0.72 -0.54 0.00 0.00 174.62 174.82 3dkw s PHE 84 N -1.69 -0.04 -0.83 3.99 -0.71 -1.20 -4.84 117.98 112.65 3dkw s PHE 84 Ca 0.38 0.13 -0.00 0.00 -1.04 0.00 0.00 56.93 56.40 3dkw s PHE 84 Cb -0.12 -0.02 0.00 0.00 -1.21 0.00 0.00 43.02 41.68 3dkw s PHE 84 CO 0.27 -0.04 0.02 0.00 -1.34 0.00 0.00 175.22 174.14 3dkw n ALA 85 N 3.23 -0.30 0.08 1.99 0.00 -1.26 -3.90 120.51 120.35 3dkw n ALA 85 Ca -0.14 0.08 0.08 0.00 0.00 0.00 0.00 53.44 53.46 3dkw n ALA 85 Cb 0.58 -1.34 -0.03 0.00 0.00 0.00 0.00 19.45 18.66 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 -1.95 0.61 0.19 0.00 0.00 -1.26 -3.94 120.64 114.29 3dkw n GLU 86 Ca -0.11 0.12 0.07 0.00 0.00 0.00 0.00 57.16 57.24 3dkw n GLU 86 Cb 0.59 -1.80 0.24 0.00 0.00 0.00 0.00 31.44 30.47 3dkw n GLU 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3dkw h ALA 87 N 1.85 0.87 0.00 -1.84 0.00 -1.98 -3.06 119.26 115.10 3dkw h ALA 87 Ca -0.05 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 3dkw h ALA 87 Cb 1.15 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 3dkw h ALA 87 CO 0.01 0.40 -0.05 0.52 0.00 0.00 0.00 179.25 180.13 3dkw h MET 88 N 0.00 0.00 -0.02 0.00 2.86 -1.94 -1.01 114.93 114.82 3dkw h MET 88 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3dkw h MET 88 Cb 1.05 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.71 3dkw h MET 88 CO 0.04 0.05 0.01 1.98 1.06 0.00 0.00 176.91 180.05 3dkw h MET 89 N 0.00 0.02 0.00 1.72 -1.53 -1.75 -2.53 114.93 110.86 3dkw h MET 89 Ca -0.00 -0.00 -0.04 0.00 -3.44 0.00 0.00 59.70 56.22 3dkw h MET 89 Cb 0.17 -0.01 -0.01 0.00 -0.55 0.00 0.00 31.60 31.21 3dkw h MET 89 CO 0.01 0.02 -0.19 0.74 0.14 0.00 0.00 176.91 177.62 3dkw h PHE 90 N 0.03 0.00 -3.82 1.39 -1.00 -1.58 -3.46 116.94 108.50 3dkw h PHE 90 Ca 0.01 0.00 -0.47 0.00 2.81 0.00 0.00 57.97 60.31 3dkw h PHE 90 Cb -0.00 0.00 0.18 0.00 3.61 0.00 0.00 35.95 39.74 3dkw h PHE 90 CO -0.08 0.19 0.16 -1.64 -1.61 0.00 0.00 178.31 175.33 3dkw s MET 91 N -3.33 0.38 0.33 1.51 -1.94 -0.45 -4.95 119.30 110.86 3dkw s MET 91 Ca 0.04 0.98 0.23 0.00 -1.71 0.00 0.00 55.69 55.23 3dkw s MET 91 Cb 0.08 -1.69 0.28 0.00 2.01 0.00 0.00 34.83 35.50 3dkw s MET 91 CO 0.66 -2.89 1.44 0.38 -0.01 0.00 0.00 175.02 174.60 3dkw h ASP 92 N -2.03 0.00 -2.71 3.03 3.04 -1.88 -3.46 116.42 112.42 3dkw h ASP 92 Ca -0.53 -0.01 -0.55 0.00 -3.24 0.00 0.00 57.03 52.71 3dkw h ASP 92 Cb 1.30 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 39.59 3dkw h ASP 92 CO 0.50 0.01 1.01 0.42 -2.04 0.00 0.00 179.24 179.13 3dkw s THR 93 N -3.24 3.55 -0.43 1.15 -4.23 -1.26 -4.90 115.64 106.28 3dkw s THR 93 Ca 0.05 0.80 0.23 0.00 -1.18 0.00 0.00 61.69 61.59 3dkw s THR 93 Cb 0.07 -3.51 0.25 0.00 1.34 0.00 0.00 72.50 70.65 3dkw s THR 93 CO 0.70 -0.04 1.49 1.55 -0.54 0.00 0.00 174.62 177.78 3dkw h PRO 94 N 8.86 0.00 -6.15 3.99 0.13 -1.90 -3.47 132.00 133.46 3dkw h PRO 94 Ca -0.39 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.14 3dkw h PRO 94 Cb 1.18 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.18 3dkw h PRO 94 CO 0.94 0.00 -0.72 -0.80 -0.23 0.00 0.00 178.00 177.19 3dkw s ASN 95 N -5.78 3.78 0.37 1.44 0.02 -1.26 0.74 114.94 114.24 3dkw s ASN 95 Ca 0.06 -1.01 -0.26 0.00 -1.02 0.00 0.00 52.86 50.62 3dkw s ASN 95 Cb 0.07 -0.39 -0.09 0.00 0.02 0.00 0.00 41.25 40.86 3dkw s ASN 95 CO 0.69 -0.03 1.21 -0.31 0.02 0.00 0.00 177.10 178.68 3dkw s TYR 96 N -2.51 3.08 -0.28 2.20 2.02 -0.20 -4.72 117.35 116.94 3dkw s TYR 96 Ca 0.31 1.52 0.22 0.00 -0.37 0.00 0.00 57.07 58.75 3dkw s TYR 96 Cb -0.03 -3.48 0.08 0.00 -0.40 0.00 0.00 41.96 38.13 3dkw s TYR 96 CO 0.16 -1.46 1.19 -0.39 -1.57 0.00 0.00 175.55 173.48 3dkw h VAL 97 N 2.57 0.04 -4.46 0.71 -1.51 -1.91 -3.03 116.25 108.65 3dkw h VAL 97 Ca -0.49 -1.06 -0.28 0.00 -1.23 0.00 0.00 66.70 63.64 3dkw h VAL 97 Cb 1.23 1.67 -0.13 0.00 -2.13 0.00 0.00 31.29 31.94 3dkw h VAL 97 CO 0.64 0.02 -0.45 0.00 -1.23 0.00 0.00 177.57 176.55 3dkw s ALA 98 N -3.30 1.07 -0.45 5.19 0.00 -1.26 -4.87 121.76 118.14 3dkw s ALA 98 Ca 0.01 -1.65 -0.10 0.00 0.00 0.00 0.00 51.96 50.23 3dkw s ALA 98 Cb 0.08 1.33 0.10 0.00 0.00 0.00 0.00 23.12 24.63 3dkw s ALA 98 CO 0.76 -0.68 0.32 0.99 0.00 0.00 0.00 175.76 177.15 3dkw s THR 99 N -3.80 4.39 0.47 0.00 2.01 -1.26 -2.72 115.64 114.74 3dkw s THR 99 Ca 0.36 -1.51 -0.21 0.00 0.31 0.00 0.00 61.69 60.64 3dkw s THR 99 Cb 0.04 -3.76 -0.09 0.00 0.01 0.00 0.00 72.50 68.70 3dkw s THR 99 CO 0.17 -0.63 1.02 0.00 -0.69 0.00 0.00 174.62 174.48 3dkw s ALA 100 N 1.44 2.91 -0.04 7.40 0.00 0.15 -4.67 121.76 128.95 3dkw s ALA 100 Ca 0.04 0.57 -0.15 0.00 0.00 0.00 0.00 51.96 52.42 3dkw s ALA 100 Cb -0.25 -3.24 0.03 0.00 0.00 0.00 0.00 23.12 19.67 3dkw s ALA 100 CO 0.02 -0.23 0.34 -1.14 0.00 0.00 0.00 175.76 174.75 3dkw s GLN 101 N -3.19 0.65 -0.14 0.00 0.74 0.19 -2.43 119.66 115.47 3dkw s GLN 101 Ca 0.66 -0.03 -0.08 0.00 0.05 0.00 0.00 55.36 55.96 3dkw s GLN 101 Cb -0.15 0.29 -0.04 0.00 1.10 0.00 0.00 33.01 34.21 3dkw s GLN 101 CO 0.19 -0.17 0.15 0.00 -0.55 0.00 0.00 175.29 174.91 3dkw s ALA 102 N -1.02 3.80 -0.13 1.58 0.00 -0.93 -0.88 121.76 124.17 3dkw s ALA 102 Ca -0.11 -0.64 0.17 0.00 0.00 0.00 0.00 51.96 51.39 3dkw s ALA 102 Cb -0.04 -2.06 -0.14 0.00 0.00 0.00 0.00 23.12 20.88 3dkw s ALA 102 CO 0.04 0.44 0.81 1.33 0.00 0.00 0.00 175.76 178.38 3dkw n VAL 103 N 2.54 1.16 -4.10 0.00 0.24 -1.12 -2.40 118.33 114.64 3dkw n VAL 103 Ca -0.18 -0.69 -0.14 0.00 -2.04 0.00 0.00 64.34 61.29 3dkw n VAL 103 Cb 0.54 -0.71 -0.11 0.00 -1.47 0.00 0.00 33.84 32.08 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 -2.94 0.69 -0.70 3.34 -7.23 -1.26 -4.71 120.40 107.59 3dkw s VAL 104 Ca -0.03 -1.28 -0.34 0.00 -1.81 0.00 0.00 61.98 58.52 3dkw s VAL 104 Cb 0.09 -0.89 -0.17 0.00 0.56 0.00 0.00 36.38 35.96 3dkw s VAL 104 CO 0.81 -0.44 2.45 -2.65 -0.31 0.00 0.00 175.10 174.96 3dkw n PRO 105 N 1.14 0.37 -4.35 4.82 -0.02 -1.26 -4.55 135.00 131.15 3dkw n PRO 105 Ca -0.20 0.05 -0.24 0.00 -2.02 0.00 0.00 63.50 61.09 3dkw n PRO 105 Cb 0.56 -2.00 -0.08 0.00 -0.02 0.00 0.00 33.50 31.96 3dkw n PRO 105 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 3dkw s SER 106 N 8.62 4.19 -0.10 2.55 0.01 -0.70 -4.67 113.70 123.60 3dkw s SER 106 Ca 1.22 -0.83 0.01 0.00 1.31 0.00 0.00 55.95 57.66 3dkw s SER 106 Cb -1.06 -0.62 0.02 0.00 0.21 0.00 0.00 66.02 64.57 3dkw s SER 106 CO 0.49 -0.03 -0.12 -1.58 0.41 0.00 0.00 173.24 172.40 3dkw s GLN 107 N -3.63 1.92 0.09 12.44 0.74 -1.11 -0.55 119.66 129.56 3dkw s GLN 107 Ca 0.32 -0.45 0.07 0.00 0.05 0.00 0.00 55.36 55.35 3dkw s GLN 107 Cb -0.05 -1.72 -0.03 0.00 1.10 0.00 0.00 33.01 32.31 3dkw s GLN 107 CO 0.18 -0.11 -0.18 -0.51 -0.55 0.00 0.00 175.29 174.12 3dkw s LEU 108 N 1.15 2.29 -0.20 3.68 1.02 -0.64 -2.57 118.68 123.42 3dkw s LEU 108 Ca -0.04 -0.66 -0.11 0.00 0.02 0.00 0.00 54.13 53.33 3dkw s LEU 108 Cb -0.14 -0.73 -0.05 0.00 0.02 0.00 0.00 46.19 45.29 3dkw s LEU 108 CO -0.03 0.00 0.19 -0.36 0.02 0.00 0.00 176.35 176.17 3dkw s PHE 109 N -1.24 3.39 -1.05 0.29 0.40 -0.42 -1.44 117.98 117.92 3dkw s PHE 109 Ca 0.03 0.38 -0.10 0.00 -0.60 0.00 0.00 56.93 56.64 3dkw s PHE 109 Cb -0.10 -2.26 0.26 0.00 0.51 0.00 0.00 43.02 41.44 3dkw s PHE 109 CO 0.03 0.19 1.03 0.50 0.70 0.00 0.00 175.22 177.68 3dkw s ARG 110 N 0.65 4.05 0.04 0.44 3.52 -0.02 -1.38 118.95 126.25 3dkw s ARG 110 Ca 0.11 -3.07 -0.30 0.00 -0.13 0.00 0.00 55.73 52.33 3dkw s ARG 110 Cb -0.12 -4.51 -0.05 0.00 -1.56 0.00 0.00 34.95 28.71 3dkw s ARG 110 CO 0.02 -1.25 1.13 -0.06 -0.81 0.00 0.00 175.30 174.32 3dkw s PHE 111 N -0.98 3.51 0.41 5.12 0.40 -0.77 -2.80 117.98 122.88 3dkw s PHE 111 Ca 0.28 1.43 -0.24 0.00 -0.60 0.00 0.00 56.93 57.81 3dkw s PHE 111 Cb -0.10 -3.32 -0.09 0.00 0.51 0.00 0.00 43.02 40.02 3dkw s PHE 111 CO -0.08 -0.86 1.07 0.45 0.70 0.00 0.00 175.22 176.50 3dkw s SER 112 N 1.04 6.65 0.14 1.36 0.15 -1.16 -0.68 113.70 121.19 3dkw s SER 112 Ca 0.56 2.08 -0.04 0.00 0.70 0.00 0.00 55.95 59.26 3dkw s SER 112 Cb -0.27 -2.59 -0.06 0.00 -1.71 0.00 0.00 66.02 61.39 3dkw s SER 112 CO 0.29 -0.57 1.33 0.78 1.20 0.00 0.00 173.24 176.27 3dkw h ASN 113 N 2.40 0.52 0.00 5.45 2.35 -1.08 -3.24 115.58 121.99 3dkw h ASN 113 Ca -0.48 -0.40 -0.05 0.00 -0.55 0.00 0.00 56.30 54.81 3dkw h ASN 113 Cb 1.22 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 39.42 3dkw h ASN 113 CO 0.62 1.18 -0.13 0.11 -1.65 0.00 0.00 177.43 177.56 3dkw h LYS 114 N 0.24 0.28 0.00 0.81 1.57 -1.94 -0.52 116.57 117.01 3dkw h LYS 114 Ca -0.07 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.63 3dkw h LYS 114 Cb 1.51 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 33.79 3dkw h LYS 114 CO 0.15 0.42 -0.05 0.00 -0.57 0.00 0.00 179.45 179.40 3dkw h ALA 115 N 1.60 0.97 0.00 3.86 0.00 -1.93 -2.77 119.26 120.99 3dkw h ALA 115 Ca 0.05 -0.05 -0.17 0.00 0.00 0.00 0.00 54.91 54.75 3dkw h ALA 115 Cb 0.40 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 3dkw h ALA 115 CO 0.02 0.07 -2.00 0.98 0.00 0.00 0.00 179.25 178.33 3dkw n TYR 116 N -3.12 0.22 0.03 0.00 9.36 -0.91 -4.07 117.16 118.67 3dkw n TYR 116 Ca 0.03 0.07 -0.19 0.00 3.32 0.00 0.00 57.90 61.13 3dkw n TYR 116 Cb 0.50 -0.81 -0.14 0.00 -0.63 0.00 0.00 39.34 38.26 3dkw n TYR 116 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 3dkw h LEU 117 N 0.00 0.41 -1.45 2.98 3.38 -1.15 -3.18 115.31 116.30 3dkw h LEU 117 Ca -0.23 -0.94 0.08 0.00 0.09 0.00 0.00 57.88 56.89 3dkw h LEU 117 Cb 1.56 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 42.14 3dkw h LEU 117 CO 0.02 1.31 0.46 0.03 0.09 0.00 0.00 178.44 180.35 3dkw h ARG 118 N -0.43 0.62 0.00 1.13 2.47 -1.70 0.47 114.38 116.95 3dkw h ARG 118 Ca -0.11 -0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.57 3dkw h ARG 118 Cb 1.51 -0.14 0.00 0.00 -1.65 0.00 0.00 29.97 29.69 3dkw h ARG 118 CO 0.13 0.41 0.00 1.96 0.56 0.00 0.00 179.97 183.03 3dkw h GLN 119 N 0.64 0.00 0.09 0.04 4.20 -1.71 -3.22 115.11 115.15 3dkw h GLN 119 Ca 0.32 0.00 -0.36 0.00 0.06 0.00 0.00 58.65 58.67 3dkw h GLN 119 Cb 0.40 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.15 3dkw h GLN 119 CO -0.11 0.00 -2.05 1.28 -0.67 0.00 0.00 178.83 177.28 3dkw n LEU 120 N -3.08 2.43 0.00 1.46 4.77 0.34 -4.50 117.00 118.43 3dkw n LEU 120 Ca 0.02 0.17 0.00 0.00 -0.03 0.00 0.00 56.01 56.18 3dkw n LEU 120 Cb 0.41 -0.90 0.00 0.00 -2.33 0.00 0.00 43.42 40.60 3dkw n LEU 120 CO 0.30 0.81 0.43 0.00 -1.33 0.00 0.00 177.39 177.60 3dkw n GLN 121 N -3.38 0.00 -2.25 3.23 6.02 0.14 -4.46 117.38 116.69 3dkw n GLN 121 Ca -0.32 0.85 -0.27 0.00 -0.01 0.00 0.00 57.00 57.24 3dkw n GLN 121 Cb 1.04 -1.32 0.04 0.00 1.02 0.00 0.00 30.24 31.02 3dkw n GLN 121 CO 0.00 0.00 0.00 0.16 -1.01 0.00 0.00 177.06 176.21 3dkw s ASP 122 N -2.97 5.49 -0.24 1.08 -4.77 -1.25 -4.69 116.67 109.32 3dkw s ASP 122 Ca 0.00 0.80 -0.02 0.00 -3.30 0.00 0.00 52.55 50.03 3dkw s ASP 122 Cb 0.00 -1.71 0.00 0.00 -1.09 0.00 0.00 42.92 40.12 3dkw s ASP 122 CO 0.00 -1.18 0.25 0.59 0.70 0.00 0.00 175.17 175.53 3dkw n ASN 123 N -2.72 -4.20 0.26 2.11 3.02 -1.26 -4.86 115.26 107.61 3dkw n ASN 123 Ca 0.05 0.04 0.11 0.00 -0.03 0.00 0.00 54.58 54.76 3dkw n ASN 123 Cb 0.58 -2.63 0.71 0.00 -0.61 0.00 0.00 39.78 37.83 3dkw n ASN 123 CO 0.00 0.00 0.00 0.71 -2.62 0.00 0.00 177.26 175.35 3dkw h THR 124 N 0.35 0.70 -0.27 3.41 1.35 -1.83 -1.81 112.91 114.80 3dkw h THR 124 Ca 0.00 -0.43 -0.00 0.00 -0.55 0.00 0.00 66.41 65.43 3dkw h THR 124 Cb 0.81 1.26 -0.01 0.00 -1.73 0.00 0.00 68.15 68.48 3dkw h THR 124 CO 0.10 0.10 0.15 1.55 -0.25 0.00 0.00 175.52 177.18 3dkw h PRO 125 N 0.00 0.37 0.06 4.72 0.13 -1.96 0.28 132.00 135.60 3dkw h PRO 125 Ca -0.00 -0.03 -0.25 0.00 -0.87 0.00 0.00 66.00 64.85 3dkw h PRO 125 Cb 0.25 -0.08 0.01 0.00 0.13 0.00 0.00 31.00 31.31 3dkw h PRO 125 CO 0.01 0.27 -1.08 1.25 -0.23 0.00 0.00 178.00 178.22 3dkw h LEU 126 N 0.37 0.51 -0.83 1.56 5.85 -1.68 -2.21 115.31 118.90 3dkw h LEU 126 Ca 0.10 -0.47 -0.12 0.00 0.84 0.00 0.00 57.88 58.23 3dkw h LEU 126 Cb 0.01 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 40.87 3dkw h LEU 126 CO -0.02 1.30 -0.45 0.00 -0.34 0.00 0.00 178.44 178.94 3dkw h ALA 127 N 0.65 1.00 -0.05 1.25 0.00 -1.15 -2.31 119.26 118.66 3dkw h ALA 127 Ca -0.11 -0.44 -0.25 0.00 0.00 0.00 0.00 54.91 54.11 3dkw h ALA 127 Cb 1.75 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 19.47 3dkw h ALA 127 CO 0.18 0.63 -0.94 -0.07 0.00 0.00 0.00 179.25 179.05 3dkw h LEU 128 N 0.26 0.92 -1.45 0.00 3.38 -0.51 -3.13 115.31 114.77 3dkw h LEU 128 Ca 0.02 -0.70 -0.06 0.00 0.09 0.00 0.00 57.88 57.23 3dkw h LEU 128 Cb 0.89 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 3dkw h LEU 128 CO 0.07 1.49 -0.27 0.00 0.09 0.00 0.00 178.44 179.82 3dkw h ALA 129 N 0.44 1.33 0.00 1.53 0.00 -1.33 -2.17 119.26 119.06 3dkw h ALA 129 Ca -0.10 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.49 3dkw h ALA 129 Cb 1.59 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.33 3dkw h ALA 129 CO 0.19 0.34 -0.34 1.25 0.00 0.00 0.00 179.25 180.69 3dkw h LEU 130 N 0.00 0.00 -0.62 0.00 6.46 -1.42 -2.84 115.31 116.89 3dkw h LEU 130 Ca -0.00 0.00 -0.15 0.00 -0.12 0.00 0.00 57.88 57.61 3dkw h LEU 130 Cb 0.55 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.47 3dkw h LEU 130 CO 0.03 0.34 -0.68 -0.07 -0.62 0.00 0.00 178.44 177.44 3dkw h LEU 131 N 0.00 0.07 -0.08 2.25 3.38 -1.34 -2.90 115.31 116.69 3dkw h LEU 131 Ca -0.00 -0.04 -0.25 0.00 0.09 0.00 0.00 57.88 57.68 3dkw h LEU 131 Cb 1.04 -0.02 0.02 0.00 0.09 0.00 0.00 40.66 41.78 3dkw h LEU 131 CO 0.04 0.72 -0.95 0.00 0.09 0.00 0.00 178.44 178.34 3dkw h ALA 132 N 1.27 0.22 -0.73 1.53 0.00 -1.39 -2.76 119.26 117.40 3dkw h ALA 132 Ca -0.01 -0.67 -0.07 0.00 0.00 0.00 0.00 54.91 54.16 3dkw h ALA 132 Cb 1.21 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.99 3dkw h ALA 132 CO 0.09 0.71 0.20 0.87 0.00 0.00 0.00 179.25 181.12 3dkw h LYS 133 N 0.41 1.15 -0.12 0.00 1.79 -1.52 0.04 116.57 118.33 3dkw h LYS 133 Ca -0.10 -0.26 -0.12 0.00 -2.18 0.00 0.00 60.65 57.98 3dkw h LYS 133 Cb 1.60 -0.16 -0.01 0.00 -1.58 0.00 0.00 32.23 32.08 3dkw h LYS 133 CO 0.19 1.00 -0.46 -0.07 -1.08 0.00 0.00 179.45 179.03 3dkw h LEU 134 N 1.10 0.31 0.03 2.94 3.38 -1.56 -3.16 115.31 118.36 3dkw h LEU 134 Ca 0.23 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 3dkw h LEU 134 Cb 0.35 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.01 3dkw h LEU 134 CO -0.00 0.73 -0.01 0.77 0.09 0.00 0.00 178.44 180.01 3dkw h SER 135 N 0.24 -0.03 -0.93 -0.43 4.64 -1.20 -3.01 113.55 112.82 3dkw h SER 135 Ca 0.02 -0.50 0.19 0.00 -0.47 0.00 0.00 61.79 61.03 3dkw h SER 135 Cb 0.90 0.01 -0.11 0.00 -0.31 0.00 0.00 62.40 62.89 3dkw h SER 135 CO 0.07 0.69 0.51 0.71 -0.87 0.00 0.00 176.83 177.94 3dkw h THR 136 N -0.98 0.63 -0.12 2.95 1.35 -1.09 0.32 112.91 115.97 3dkw h THR 136 Ca -0.00 -0.21 -0.13 0.00 -0.55 0.00 0.00 66.41 65.51 3dkw h THR 136 Cb 0.53 -0.03 0.00 0.00 -1.73 0.00 0.00 68.15 66.92 3dkw h THR 136 CO 0.01 0.11 -0.44 0.03 -0.25 0.00 0.00 175.52 174.98 3dkw h ARG 137 N 0.61 0.51 0.00 4.72 3.08 -1.69 -2.97 114.38 118.65 3dkw h ARG 137 Ca 0.55 -0.39 0.00 0.00 0.07 0.00 0.00 59.98 60.21 3dkw h ARG 137 Cb 0.91 0.07 0.00 0.00 0.08 0.00 0.00 29.97 31.03 3dkw h ARG 137 CO -0.42 1.01 0.00 -0.07 -1.07 0.00 0.00 179.97 179.42 3dkw h LEU 138 N 0.11 0.00 -0.50 3.04 3.38 -1.15 -1.20 115.31 119.00 3dkw h LEU 138 Ca -0.02 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.79 3dkw h LEU 138 Cb 1.07 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.81 3dkw h LEU 138 CO 0.09 0.00 -0.58 0.45 0.09 0.00 0.00 178.44 178.49 3dkw h HIS 139 N 0.00 0.67 -0.00 1.13 3.86 -0.35 -0.08 115.15 120.37 3dkw h HIS 139 Ca 0.00 -0.25 -0.12 0.00 -1.16 0.00 0.00 60.37 58.84 3dkw h HIS 139 Cb 0.49 -0.12 -0.02 0.00 1.06 0.00 0.00 27.41 28.82 3dkw h HIS 139 CO 0.00 0.98 -0.58 1.96 0.86 0.00 0.00 177.93 181.15 3dkw h GLN 140 N 0.40 0.01 -0.15 2.45 4.20 -1.15 -1.47 115.11 119.40 3dkw h GLN 140 Ca 0.00 -0.01 -0.06 0.00 0.06 0.00 0.00 58.65 58.65 3dkw h GLN 140 Cb 1.13 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.90 3dkw h GLN 140 CO 0.11 0.59 -0.13 0.00 -0.67 0.00 0.00 178.83 178.73 3dkw h ARG 141 N 0.01 0.36 -0.33 1.46 2.47 -1.03 -0.98 114.38 116.34 3dkw h ARG 141 Ca -0.01 -0.18 -0.01 0.00 -1.26 0.00 0.00 59.98 58.53 3dkw h ARG 141 Cb 1.03 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.34 3dkw h ARG 141 CO 0.08 0.72 0.17 0.82 0.56 0.00 0.00 179.97 182.32 3dkw h ILE 142 N 0.00 1.11 0.00 2.04 2.04 -0.94 0.13 117.51 121.89 3dkw h ILE 142 Ca 0.03 -0.30 -0.09 0.00 1.00 0.00 0.00 64.86 65.50 3dkw h ILE 142 Cb 0.64 0.68 -0.01 0.00 -0.74 0.00 0.00 36.82 37.39 3dkw h ILE 142 CO 0.03 0.12 -0.44 -0.78 0.00 0.00 0.00 178.15 177.08 3dkw h ASP 143 N 0.46 0.00 0.90 1.72 3.58 -1.06 -2.88 116.42 119.13 3dkw h ASP 143 Ca 0.12 0.00 -0.23 0.00 0.42 0.00 0.00 57.03 57.34 3dkw h ASP 143 Cb 0.03 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.06 3dkw h ASP 143 CO -0.02 0.44 -1.07 -0.33 -2.88 0.00 0.00 179.24 175.38 3dkw h GLU 144 N 0.00 0.07 -0.78 0.28 5.08 0.30 -3.07 114.58 116.46 3dkw h GLU 144 Ca -0.00 -0.12 0.02 0.00 -1.00 0.00 0.00 59.36 58.25 3dkw h GLU 144 Cb 0.89 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 30.15 3dkw h GLU 144 CO 0.06 1.05 0.51 0.82 -1.00 0.00 0.00 179.01 180.45 3dkw h ILE 145 N 0.02 1.17 0.01 3.13 2.04 -0.60 -1.73 117.51 121.54 3dkw h ILE 145 Ca -0.05 -0.35 -0.00 0.00 1.00 0.00 0.00 64.86 65.46 3dkw h ILE 145 Cb 1.83 0.06 0.00 0.00 -0.74 0.00 0.00 36.82 37.97 3dkw h ILE 145 CO 0.15 0.19 -0.00 -0.33 0.00 0.00 0.00 178.15 178.15 3dkw h GLU 146 N 1.02 -0.01 0.00 2.37 4.39 -1.62 -1.61 114.58 119.12 3dkw h GLU 146 Ca 0.29 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.99 3dkw h GLU 146 Cb -0.07 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.58 3dkw h GLU 146 CO -0.08 0.65 -0.03 0.00 -1.16 0.00 0.00 179.01 178.39 3dkw h THR 147 N -0.68 0.62 0.06 1.13 1.03 -1.48 0.12 112.91 113.71 3dkw h THR 147 Ca -0.00 -0.12 -0.33 0.00 -0.01 0.00 0.00 66.41 65.95 3dkw h THR 147 Cb 0.66 1.07 -0.04 0.00 -1.07 0.00 0.00 68.15 68.78 3dkw h THR 147 CO 0.00 0.03 -1.90 0.18 -0.01 0.00 0.00 175.52 173.82 3dkw n LEU 148 N -3.93 1.70 0.06 0.00 4.77 -0.66 -3.34 117.00 115.62 3dkw n LEU 148 Ca -0.03 0.28 -0.09 0.00 -0.03 0.00 0.00 56.01 56.15 3dkw n LEU 148 Cb 0.11 -0.43 0.05 0.00 -2.33 0.00 0.00 43.42 40.82 3dkw n LEU 148 CO 0.29 0.62 0.37 0.77 -1.33 0.00 0.00 177.39 178.12 3dkw h SER 149 N 0.03 0.41 -0.09 -1.43 4.64 -0.79 -1.93 113.55 114.40 3dkw h SER 149 Ca -0.37 -0.27 -0.15 0.00 -0.47 0.00 0.00 61.79 60.53 3dkw h SER 149 Cb 2.03 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 63.99 3dkw h SER 149 CO 0.08 0.99 -0.48 0.17 -0.87 0.00 0.00 176.83 176.72 3dkw h LEU 150 N 0.24 0.71 0.24 5.97 8.10 -0.94 -2.20 115.31 127.42 3dkw h LEU 150 Ca -0.03 -0.35 -0.01 0.00 0.11 0.00 0.00 57.88 57.60 3dkw h LEU 150 Cb 1.28 -0.20 0.00 0.00 -0.44 0.00 0.00 40.66 41.30 3dkw h LEU 150 CO 0.12 1.07 -0.11 0.11 -4.11 0.00 0.00 178.44 175.52 3dkw h LYS 151 N 0.51 -0.31 -0.02 0.17 1.57 -1.54 0.39 116.57 117.35 3dkw h LYS 151 Ca 0.03 0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.83 3dkw h LYS 151 Cb 1.03 0.07 -0.00 0.00 0.08 0.00 0.00 32.23 33.41 3dkw h LYS 151 CO 0.10 0.02 0.10 -0.91 -0.57 0.00 0.00 179.45 178.18 3dkw h ASN 152 N -0.66 0.00 0.06 0.86 2.35 -1.38 0.15 115.58 116.96 3dkw h ASN 152 Ca -0.03 0.00 -0.19 0.00 -0.55 0.00 0.00 56.30 55.53 3dkw h ASN 152 Cb 0.47 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.83 3dkw h ASN 152 CO 0.05 0.00 -0.95 0.00 -1.65 0.00 0.00 177.43 174.88 3dkw h ALA 153 N 1.82 0.12 0.03 -0.83 0.00 -1.11 -3.33 119.26 115.98 3dkw h ALA 153 Ca 0.01 -0.92 -0.00 0.00 0.00 0.00 0.00 54.91 53.99 3dkw h ALA 153 Cb 0.20 0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3dkw h ALA 153 CO -0.00 0.54 -0.02 1.79 0.00 0.00 0.00 179.25 181.56 3dkw h THR 154 N -0.66 1.27 -0.95 0.00 1.35 -0.26 -3.13 112.91 110.54 3dkw h THR 154 Ca -0.22 -1.00 0.23 0.00 -0.55 0.00 0.00 66.41 64.87 3dkw h THR 154 Cb 1.44 1.93 -0.07 0.00 -1.73 0.00 0.00 68.15 69.73 3dkw h THR 154 CO -0.01 0.25 0.63 0.45 -0.25 0.00 0.00 175.52 176.60 3dkw h HIS 155 N -0.49 0.46 -0.08 4.73 -0.00 -0.88 -1.37 115.15 117.53 3dkw h HIS 155 Ca -0.00 0.01 -0.09 0.00 -0.00 0.00 0.00 60.37 60.29 3dkw h HIS 155 Cb 0.45 -0.14 0.00 0.00 -0.00 0.00 0.00 27.41 27.73 3dkw h HIS 155 CO 0.07 0.09 -0.30 0.00 -0.00 0.00 0.00 177.93 177.80 3dkw h ARG 156 N 0.32 0.33 0.00 2.45 3.08 -1.66 -3.19 114.38 115.72 3dkw h ARG 156 Ca 0.50 -0.26 -0.05 0.00 0.07 0.00 0.00 59.98 60.24 3dkw h ARG 156 Cb 1.39 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 31.48 3dkw h ARG 156 CO -0.17 0.89 -0.22 0.28 -1.07 0.00 0.00 179.97 179.68 3dkw h VAL 157 N -0.15 1.03 -0.25 2.04 2.07 -1.23 -2.48 116.25 117.28 3dkw h VAL 157 Ca -0.02 -0.79 -0.07 0.00 0.82 0.00 0.00 66.70 66.64 3dkw h VAL 157 Cb 0.94 1.44 -0.01 0.00 -1.52 0.00 0.00 31.29 32.13 3dkw h VAL 157 CO 0.06 0.22 -0.17 0.58 0.02 0.00 0.00 177.57 178.28 3dkw h VAL 158 N 0.00 1.23 0.00 2.57 2.07 -1.29 -0.50 116.25 120.34 3dkw h VAL 158 Ca -0.00 -1.06 -0.06 0.00 0.82 0.00 0.00 66.70 66.40 3dkw h VAL 158 Cb 0.42 1.23 -0.01 0.00 -1.52 0.00 0.00 31.29 31.41 3dkw h VAL 158 CO 0.03 0.34 -0.78 -0.09 0.02 0.00 0.00 177.57 177.08 3dkw h ARG 159 N 0.39 0.00 0.10 1.57 9.65 -1.46 -2.97 114.38 121.67 3dkw h ARG 159 Ca 0.07 0.00 -0.34 0.00 -1.10 0.00 0.00 59.98 58.61 3dkw h ARG 159 Cb 0.53 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.09 3dkw h ARG 159 CO 0.03 0.17 -1.83 0.98 2.80 0.00 0.00 179.97 182.12 3dkw n TYR 160 N -2.93 1.23 0.39 2.20 9.36 -1.01 -4.28 117.16 122.12 3dkw n TYR 160 Ca -0.01 0.31 0.12 0.00 3.32 0.00 0.00 57.90 61.64 3dkw n TYR 160 Cb 0.65 -1.15 0.24 0.00 -0.63 0.00 0.00 39.34 38.44 3dkw n TYR 160 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 3dkw n LEU 161 N -3.70 3.29 -1.64 2.98 4.77 -0.21 -4.15 117.00 118.34 3dkw n LEU 161 Ca -0.32 -1.42 0.08 0.00 -0.03 0.00 0.00 56.01 54.31 3dkw n LEU 161 Cb 0.97 -0.24 0.37 0.00 -2.33 0.00 0.00 43.42 42.18 3dkw n LEU 161 CO 0.38 0.71 0.83 -0.11 -1.33 0.00 0.00 177.39 177.87 3dkw n LEU 162 N 1.38 5.24 -4.63 2.23 0.00 -1.12 -4.95 117.00 115.16 3dkw n LEU 162 Ca 0.19 -2.90 -0.43 0.00 0.00 0.00 0.00 56.01 52.87 3dkw n LEU 162 Cb 0.58 -0.64 -0.02 0.00 0.00 0.00 0.00 43.42 43.34 3dkw n LEU 162 CO 0.16 0.66 1.10 0.42 0.00 0.00 0.00 177.39 179.72 3dkw s THR 163 N -2.69 4.20 0.10 1.96 -4.23 -1.26 -4.85 115.64 108.87 3dkw s THR 163 Ca 0.51 1.33 0.00 0.00 -1.18 0.00 0.00 61.69 62.36 3dkw s THR 163 Cb 0.39 -4.27 0.00 0.00 1.34 0.00 0.00 72.50 69.96 3dkw s THR 163 CO 0.15 -0.57 0.00 0.18 -0.54 0.00 0.00 174.62 173.84 3dkw n LEU 164 N 7.62 0.11 0.00 4.79 4.77 -1.26 -4.86 117.00 128.17 3dkw n LEU 164 Ca 0.14 0.16 0.00 0.00 -0.03 0.00 0.00 56.01 56.28 3dkw n LEU 164 Cb 0.47 0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.63 3dkw n LEU 164 CO 0.64 -0.53 0.00 0.00 -1.33 0.00 0.00 177.39 176.18 3dkw n ALA 165 N -3.02 0.00 0.00 -1.18 0.00 -1.26 -4.39 120.51 110.66 3dkw n ALA 165 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.45 3dkw n ALA 165 Cb 0.10 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.56 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 0.00 2.17 -2.22 0.00 0.00 -1.26 -5.06 120.51 114.14 3dkw n ALA 166 Ca 0.00 -0.86 -0.02 0.00 0.00 0.00 0.00 53.44 52.56 3dkw n ALA 166 Cb 0.00 -0.06 -0.02 0.00 0.00 0.00 0.00 19.45 19.37 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 -0.21 -2.69 -4.35 0.00 -0.00 -1.26 -5.07 115.22 101.64 3dkw n HIS 167 Ca 0.01 1.39 -0.28 0.00 -0.00 0.00 0.00 57.72 58.85 3dkw n HIS 167 Cb 0.20 -3.06 -0.11 0.00 -0.00 0.00 0.00 29.99 27.02 3dkw n HIS 167 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3dkw s ALA 168 N -0.72 2.62 0.00 -1.41 0.00 -1.26 -4.92 121.76 116.07 3dkw s ALA 168 Ca -0.09 -1.47 0.00 0.00 0.00 0.00 0.00 51.96 50.39 3dkw s ALA 168 Cb 0.01 -0.52 0.00 0.00 0.00 0.00 0.00 23.12 22.61 3dkw s ALA 168 CO 0.50 0.52 0.41 -2.30 0.00 0.00 0.00 175.76 174.88 3dkw n PRO 169 N 0.56 0.00 0.00 0.00 -0.02 -1.26 -4.72 135.00 129.57 3dkw n PRO 169 Ca -0.15 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.34 3dkw n PRO 169 Cb 0.54 -0.91 0.00 0.00 -0.02 0.00 0.00 33.50 33.11 3dkw n PRO 169 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dkw n GLY 170 N -0.41 1.23 7.00 -1.23 0.00 -1.26 -4.89 105.19 105.64 3dkw n GLY 170 Ca 0.00 -1.60 0.00 0.00 0.00 0.00 0.00 46.02 44.42 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 0.00 0.00 -3.78 1.61 1.02 -1.26 -4.79 120.64 113.44 3dkw n GLU 171 Ca 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.01 3dkw n GLU 171 Cb 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 31.44 31.31 3dkw n GLU 171 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3dkw s ASN 172 N -4.00 -0.26 0.24 1.62 4.22 -1.26 -5.15 114.94 110.36 3dkw s ASN 172 Ca 0.00 0.43 0.05 0.00 -2.14 0.00 0.00 52.86 51.20 3dkw s ASN 172 Cb 0.00 0.51 -0.03 0.00 1.28 0.00 0.00 41.25 43.01 3dkw s ASN 172 CO 0.00 -0.18 0.37 0.00 -2.04 0.00 0.00 177.10 175.25 3dkw n ARG 174 N -1.41 0.00 0.00 0.00 1.74 -1.26 -4.90 116.66 110.83 3dkw n ARG 174 Ca -0.09 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.99 3dkw n ARG 174 Cb 0.57 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.01 3dkw n ARG 174 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3dkw n VAL 175 N 0.00 0.00 -1.12 1.55 0.31 -1.26 -4.65 118.33 113.16 3dkw n VAL 175 Ca 0.00 0.00 -0.36 0.00 -0.01 0.00 0.00 64.34 63.97 3dkw n VAL 175 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 3dkw n VAL 175 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 3dkw n GLU 176 N 1.70 0.00 -3.41 5.55 4.07 -1.26 -4.90 120.64 122.39 3dkw n GLU 176 Ca 0.00 0.00 -0.39 0.00 -0.06 0.00 0.00 57.16 56.71 3dkw n GLU 176 Cb 0.00 -0.88 -0.09 0.00 -0.06 0.00 0.00 31.44 30.41 3dkw n GLU 176 CO 0.00 0.00 0.00 0.42 -0.06 0.00 0.00 177.13 177.49 3dkw s ILE 177 N -1.55 5.18 0.59 6.31 1.01 -1.26 -5.00 121.20 126.48 3dkw s ILE 177 Ca 0.51 0.37 -0.17 0.00 0.00 0.00 0.00 60.65 61.36 3dkw s ILE 177 Cb -0.52 -3.72 -0.03 0.00 0.01 0.00 0.00 42.46 38.19 3dkw s ILE 177 CO 0.56 0.09 1.11 -2.84 0.00 0.00 0.00 174.94 173.85 3dkw s PRO 178 N 2.03 3.16 -0.18 2.79 0.02 -1.26 -5.05 135.00 136.52 3dkw s PRO 178 Ca 0.13 1.47 -0.04 0.00 0.02 0.00 0.00 61.00 62.59 3dkw s PRO 178 Cb -0.16 -1.99 -0.02 0.00 0.02 0.00 0.00 34.50 32.35 3dkw s PRO 178 CO 0.11 -0.98 -0.04 0.08 -0.33 0.00 0.00 177.00 175.84 3dkw s VAL 179 N -2.07 3.70 0.20 3.83 1.01 -1.26 -5.00 120.40 120.82 3dkw s VAL 179 Ca 0.69 -0.41 -0.16 0.00 0.00 0.00 0.00 61.98 62.10 3dkw s VAL 179 Cb -0.21 -2.64 0.21 0.00 0.00 0.00 0.00 36.38 33.73 3dkw s VAL 179 CO 0.33 0.46 1.38 0.00 0.00 0.00 0.00 175.10 177.27 3dkw n ALA 180 N 3.99 -0.12 -0.22 5.51 0.00 -1.26 -0.42 120.51 127.99 3dkw n ALA 180 Ca -0.18 0.88 -0.07 0.00 0.00 0.00 0.00 53.44 54.08 3dkw n ALA 180 Cb 0.52 -0.39 0.03 0.00 0.00 0.00 0.00 19.45 19.62 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 0.84 -0.49 0.00 1.57 -2.00 -2.27 116.57 114.23 3dkw h LYS 181 Ca 0.30 -0.10 -0.04 0.00 -1.87 0.00 0.00 60.65 58.95 3dkw h LYS 181 Cb 0.53 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.65 3dkw h LYS 181 CO -0.88 0.64 0.16 1.96 -0.57 0.00 0.00 179.45 180.75 3dkw h GLN 182 N 0.82 0.72 -0.02 3.15 4.20 -1.16 -2.21 115.11 120.61 3dkw h GLN 182 Ca 0.21 -0.12 -0.19 0.00 0.06 0.00 0.00 58.65 58.62 3dkw h GLN 182 Cb 0.03 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.68 3dkw h GLN 182 CO -0.04 0.63 -0.81 -0.07 -0.67 0.00 0.00 178.83 177.87 3dkw h LEU 183 N 0.71 0.33 -0.52 1.46 3.38 -1.10 -2.76 115.31 116.81 3dkw h LEU 183 Ca 0.16 -0.24 -0.14 0.00 0.09 0.00 0.00 57.88 57.75 3dkw h LEU 183 Cb 0.21 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 3dkw h LEU 183 CO -0.01 1.01 -0.30 0.58 0.09 0.00 0.00 178.44 179.81 3dkw h VAL 184 N 0.17 1.27 -0.16 1.22 2.07 -1.02 -3.10 116.25 116.70 3dkw h VAL 184 Ca -0.04 -1.46 -0.16 0.00 0.82 0.00 0.00 66.70 65.86 3dkw h VAL 184 Cb 1.40 1.27 -0.01 0.00 -1.52 0.00 0.00 31.29 32.44 3dkw h VAL 184 CO 0.13 0.49 -0.58 0.00 0.02 0.00 0.00 177.57 177.63 3dkw h ALA 185 N 0.91 0.70 0.00 1.67 0.00 -1.44 -3.05 119.26 118.05 3dkw h ALA 185 Ca 0.08 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.47 3dkw h ALA 185 Cb 0.86 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.57 3dkw h ALA 185 CO 0.08 0.70 0.00 0.41 0.00 0.00 0.00 179.25 180.43 3dkw n GLY 186 N 0.29 -0.75 2.00 0.00 0.00 -1.04 -3.52 105.19 102.16 3dkw n GLY 186 Ca -0.03 -0.10 -0.20 0.00 0.00 0.00 0.00 46.02 45.69 3dkw n GLY 186 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3dkw n HIS 187 N -0.82 2.43 0.00 1.61 -0.00 -1.15 -5.01 115.22 112.28 3dkw n HIS 187 Ca 0.12 -2.16 0.00 0.00 -0.00 0.00 0.00 57.72 55.68 3dkw n HIS 187 Cb 0.05 -0.32 0.00 0.00 -0.00 0.00 0.00 29.99 29.72 3dkw n HIS 187 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 3dkw n LEU 188 N -0.72 0.00 -4.61 0.27 4.77 -1.23 -4.76 117.00 110.73 3dkw n LEU 188 Ca 0.39 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 56.07 3dkw n LEU 188 Cb 0.94 0.00 0.23 0.00 -2.33 0.00 0.00 43.42 42.26 3dkw n LEU 188 CO 0.34 0.00 0.62 -0.94 -1.33 0.00 0.00 177.39 176.09 3dkw s SER 189 N 0.00 1.17 0.00 -1.43 1.04 -1.26 -4.98 113.70 108.24 3dkw s SER 189 Ca 0.00 0.72 0.00 0.00 0.48 0.00 0.00 55.95 57.15 3dkw s SER 189 Cb 0.00 -1.03 0.00 0.00 0.10 0.00 0.00 66.02 65.09 3dkw s SER 189 CO 0.00 -3.98 0.00 -0.38 0.98 0.00 0.00 173.24 169.86 3dkw n ILE 190 N -4.67 0.00 -0.02 -1.02 5.41 -1.26 -4.56 119.36 113.24 3dkw n ILE 190 Ca 0.12 0.22 0.00 0.00 1.00 0.00 0.00 62.75 64.09 3dkw n ILE 190 Cb 0.59 -1.17 0.00 0.00 -0.71 0.00 0.00 39.64 38.35 3dkw n ILE 190 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3dkw n GLN 191 N -2.25 3.39 0.02 0.38 6.02 -1.26 -4.57 117.38 119.11 3dkw n GLN 191 Ca 0.00 -0.01 0.04 0.00 -0.01 0.00 0.00 57.00 57.02 3dkw n GLN 191 Cb 0.00 -0.27 -0.09 0.00 1.02 0.00 0.00 30.24 30.90 3dkw n GLN 191 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 3dkw n PRO 192 N -0.49 0.63 -0.05 -1.09 -0.04 -1.26 -4.14 135.00 128.57 3dkw n PRO 192 Ca 0.00 0.09 -0.06 0.00 -0.04 0.00 0.00 63.50 63.49 3dkw n PRO 192 Cb 0.00 -1.72 -0.05 0.00 -0.04 0.00 0.00 33.50 31.69 3dkw n PRO 192 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3dkw n GLU 193 N -2.70 1.31 -0.09 0.54 1.02 -1.26 -4.47 120.64 114.99 3dkw n GLU 193 Ca -0.09 0.03 -0.06 0.00 -0.02 0.00 0.00 57.16 57.02 3dkw n GLU 193 Cb 0.76 -1.21 -0.00 0.00 -0.02 0.00 0.00 31.44 30.97 3dkw n GLU 193 CO 0.00 0.00 0.00 1.79 1.18 0.00 0.00 177.13 180.10 3dkw h THR 194 N 0.00 0.64 -0.29 2.62 1.35 -1.81 0.82 112.91 116.25 3dkw h THR 194 Ca -0.23 0.00 -0.11 0.00 -0.55 0.00 0.00 66.41 65.52 3dkw h THR 194 Cb 1.42 0.64 -0.01 0.00 -1.73 0.00 0.00 68.15 68.47 3dkw h THR 194 CO -0.02 0.00 -0.29 0.15 -0.25 0.00 0.00 175.52 175.12 3dkw h PHE 195 N -0.03 0.67 -0.22 4.73 3.57 -1.84 -3.12 116.94 120.70 3dkw h PHE 195 Ca 0.16 -0.16 -0.18 0.00 3.53 0.00 0.00 57.97 61.32 3dkw h PHE 195 Cb 0.26 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 38.85 3dkw h PHE 195 CO -0.31 0.81 -0.56 0.66 -2.23 0.00 0.00 178.31 176.68 3dkw h SER 196 N 0.51 0.87 0.05 0.41 4.64 -1.65 -2.63 113.55 115.75 3dkw h SER 196 Ca 0.06 -0.57 -0.01 0.00 -0.47 0.00 0.00 61.79 60.80 3dkw h SER 196 Cb 0.76 -0.25 -0.00 0.00 -0.31 0.00 0.00 62.40 62.59 3dkw h SER 196 CO 0.06 1.28 -0.05 0.03 -0.87 0.00 0.00 176.83 177.28 3dkw h ARG 197 N 0.50 0.00 0.20 4.77 2.47 -0.82 -2.72 114.38 118.78 3dkw h ARG 197 Ca -0.01 -0.00 -0.32 0.00 -1.26 0.00 0.00 59.98 58.39 3dkw h ARG 197 Cb 1.17 -0.00 0.02 0.00 -1.65 0.00 0.00 29.97 29.51 3dkw h ARG 197 CO 0.12 0.05 -1.53 0.82 0.56 0.00 0.00 179.97 179.99 3dkw h ILE 198 N 0.00 1.12 -0.73 2.04 2.04 -1.52 -3.33 117.51 117.12 3dkw h ILE 198 Ca -0.00 -2.56 0.06 0.00 1.00 0.00 0.00 64.86 63.36 3dkw h ILE 198 Cb 0.09 2.89 -0.05 0.00 -0.74 0.00 0.00 36.82 39.02 3dkw h ILE 198 CO 0.01 0.81 0.48 0.24 0.00 0.00 0.00 178.15 179.69 3dkw h MET 199 N 0.02 0.75 -0.47 2.37 2.86 -1.17 -1.43 114.93 117.86 3dkw h MET 199 Ca -0.29 -0.05 -0.07 0.00 -2.06 0.00 0.00 59.70 57.23 3dkw h MET 199 Cb 2.04 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 33.51 3dkw h MET 199 CO 0.19 0.50 -0.01 0.45 1.06 0.00 0.00 176.91 179.10 3dkw h HIS 200 N 0.77 0.84 -0.07 -0.22 3.86 -1.62 -2.82 115.15 115.89 3dkw h HIS 200 Ca 0.32 -0.12 -0.19 0.00 -1.16 0.00 0.00 60.37 59.22 3dkw h HIS 200 Cb 0.25 -0.23 -0.00 0.00 1.06 0.00 0.00 27.41 28.49 3dkw h HIS 200 CO -0.00 0.78 -0.76 0.00 0.86 0.00 0.00 177.93 178.82 3dkw h ARG 201 N 0.73 0.41 -1.01 2.45 3.08 -1.41 -3.15 114.38 115.49 3dkw h ARG 201 Ca 0.14 -0.35 0.04 0.00 0.07 0.00 0.00 59.98 59.88 3dkw h ARG 201 Cb 0.46 0.08 -0.06 0.00 0.08 0.00 0.00 29.97 30.53 3dkw h ARG 201 CO 0.02 0.99 0.66 -0.07 -1.07 0.00 0.00 179.97 180.50 3dkw h LEU 202 N 0.27 1.10 -1.50 3.04 3.38 -1.07 -0.37 115.31 120.18 3dkw h LEU 202 Ca -0.04 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 3dkw h LEU 202 Cb 1.34 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.83 3dkw h LEU 202 CO 0.13 0.76 -0.07 1.23 0.09 0.00 0.00 178.44 180.58 3dkw h GLY 203 N 1.28 0.00 -3.28 0.83 0.00 -1.49 -2.47 103.07 97.94 3dkw h GLY 203 Ca 0.40 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.55 3dkw h GLY 203 CO -0.12 0.00 0.23 1.22 0.00 0.00 0.00 176.54 177.87 3dkw n ASP 204 N -3.22 4.25 -2.01 0.19 8.00 -0.16 -4.94 116.55 118.65 3dkw n ASP 204 Ca 0.00 -2.98 -0.00 0.00 0.71 0.00 0.00 54.79 52.52 3dkw n ASP 204 Cb 0.32 -0.70 0.00 0.00 -0.02 0.00 0.00 41.12 40.72 3dkw n ASP 204 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3dkw n GLU 205 N -0.09 -1.41 0.00 -1.24 -0.58 -0.93 -4.94 120.64 111.45 3dkw n GLU 205 Ca 0.33 1.43 0.00 0.00 -0.42 0.00 0.00 57.16 58.50 3dkw n GLU 205 Cb 1.20 -2.89 0.00 0.00 -0.57 0.00 0.00 31.44 29.18 3dkw n GLU 205 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3dkw n GLY 206 N 0.21 5.41 4.01 0.62 0.00 -1.22 -4.48 105.19 109.75 3dkw n GLY 206 Ca 0.01 -1.26 -0.20 0.00 0.00 0.00 0.00 46.02 44.56 3dkw n GLY 206 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dkw s ILE 207 N 1.90 2.11 -0.03 -0.61 1.01 -1.26 -3.39 121.20 120.95 3dkw s ILE 207 Ca 0.00 -1.07 0.05 0.00 0.00 0.00 0.00 60.65 59.63 3dkw s ILE 207 Cb 0.00 -2.18 -0.01 0.00 0.01 0.00 0.00 42.46 40.28 3dkw s ILE 207 CO 0.00 0.00 -0.17 -0.63 0.00 0.00 0.00 174.94 174.14 3dkw s ILE 208 N -2.67 1.36 0.05 2.92 1.01 -1.19 -4.85 121.20 117.82 3dkw s ILE 208 Ca 0.58 -0.71 -0.30 0.00 0.00 0.00 0.00 60.65 60.21 3dkw s ILE 208 Cb -0.05 -1.15 -0.05 0.00 0.01 0.00 0.00 42.46 41.21 3dkw s ILE 208 CO 0.36 0.39 1.19 -1.00 0.00 0.00 0.00 174.94 175.88 3dkw s HIS 209 N -0.19 3.42 -0.07 3.97 3.76 -1.26 -4.47 115.29 120.45 3dkw s HIS 209 Ca 0.02 1.31 -0.07 0.00 -0.15 0.00 0.00 55.06 56.17 3dkw s HIS 209 Cb -0.09 -3.41 0.02 0.00 1.11 0.00 0.00 32.58 30.22 3dkw s HIS 209 CO 0.01 -1.22 0.20 -0.51 -0.85 0.00 0.00 174.74 172.37 3dkw s LEU 210 N 1.17 1.23 0.29 0.89 1.43 -1.26 -5.01 118.68 117.42 3dkw s LEU 210 Ca 0.58 0.39 0.19 0.00 -1.03 0.00 0.00 54.13 54.27 3dkw s LEU 210 Cb -0.29 0.70 1.03 0.00 0.03 0.00 0.00 46.19 47.67 3dkw s LEU 210 CO 0.28 -0.08 1.58 0.47 0.23 0.00 0.00 176.35 178.83 3dkw n ASP 211 N 2.92 0.49 0.00 2.29 9.92 -1.26 -4.35 116.55 126.57 3dkw n ASP 211 Ca -0.13 0.73 0.00 0.00 -0.53 0.00 0.00 54.79 54.86 3dkw n ASP 211 Cb 0.58 -0.79 0.00 0.00 -0.64 0.00 0.00 41.12 40.28 3dkw n ASP 211 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3dkw n GLY 212 N -1.32 0.74 3.70 0.44 0.00 -1.26 -5.09 105.19 102.40 3dkw n GLY 212 Ca -0.01 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.76 3dkw n GLY 212 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3dkw s ARG 213 N 0.72 2.52 0.14 1.61 3.52 -1.26 -4.75 118.95 121.46 3dkw s ARG 213 Ca 0.00 -1.12 0.07 0.00 -0.13 0.00 0.00 55.73 54.54 3dkw s ARG 213 Cb 0.00 -2.39 -0.04 0.00 -1.56 0.00 0.00 34.95 30.96 3dkw s ARG 213 CO 0.00 0.44 -0.15 -1.83 -0.81 0.00 0.00 175.30 172.94 3dkw s GLU 214 N -3.22 1.13 0.01 5.12 1.03 -1.26 -4.44 118.70 117.07 3dkw s GLU 214 Ca 0.29 -1.34 0.06 0.00 0.03 0.00 0.00 54.97 54.01 3dkw s GLU 214 Cb -0.09 -1.04 -0.02 0.00 -0.80 0.00 0.00 34.13 32.18 3dkw s GLU 214 CO 0.20 0.20 -0.17 0.42 -1.33 0.00 0.00 175.26 174.58 3dkw s ILE 215 N -2.26 1.37 0.45 1.83 1.01 -1.26 -4.68 121.20 117.65 3dkw s ILE 215 Ca 0.13 -0.89 0.01 0.00 0.00 0.00 0.00 60.65 59.90 3dkw s ILE 215 Cb -0.04 -1.17 0.09 0.00 0.01 0.00 0.00 42.46 41.34 3dkw s ILE 215 CO 0.04 0.26 0.62 -1.54 0.00 0.00 0.00 174.94 174.32 3dkw n SER 216 N 2.31 0.99 0.00 3.58 3.41 -1.26 -3.20 113.62 119.45 3dkw n SER 216 Ca -0.16 -1.80 0.00 0.00 -0.26 0.00 0.00 58.87 56.65 3dkw n SER 216 Cb 0.54 -0.39 0.00 0.00 -0.26 0.00 0.00 64.21 64.10 3dkw n SER 216 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 3dkw n ILE 217 N -2.23 0.00 -4.35 -1.33 5.41 -1.22 -4.93 119.36 110.71 3dkw n ILE 217 Ca 0.11 0.00 -0.34 0.00 1.00 0.00 0.00 62.75 63.52 3dkw n ILE 217 Cb 0.39 -0.37 -0.11 0.00 -0.71 0.00 0.00 39.64 38.84 3dkw n ILE 217 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 3dkw s LEU 218 N -1.51 3.44 -0.09 1.39 1.43 -1.26 -4.84 118.68 117.24 3dkw s LEU 218 Ca 0.00 0.01 -0.26 0.00 -1.03 0.00 0.00 54.13 52.85 3dkw s LEU 218 Cb 0.00 -1.81 -0.22 0.00 0.03 0.00 0.00 46.19 44.19 3dkw s LEU 218 CO 0.00 0.26 0.91 -2.24 0.23 0.00 0.00 176.35 175.51 3dkw h ASP 219 N 6.04 -0.03 -0.70 2.29 2.03 -1.91 -3.15 116.42 120.99 3dkw h ASP 219 Ca -0.40 -0.71 0.14 0.00 -0.73 0.00 0.00 57.03 55.34 3dkw h ASP 219 Cb 1.19 0.01 -0.13 0.00 -0.83 0.00 0.00 39.33 39.56 3dkw h ASP 219 CO 0.60 0.73 -0.14 0.03 -1.03 0.00 0.00 179.24 179.43 3dkw h ARG 220 N -0.81 0.02 -0.63 4.15 3.08 -1.95 0.34 114.38 118.57 3dkw h ARG 220 Ca -0.00 -0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 3dkw h ARG 220 Cb 0.73 -0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.74 3dkw h ARG 220 CO 0.00 0.01 0.29 0.93 -1.07 0.00 0.00 179.97 180.14 3dkw h GLU 221 N 0.02 0.90 0.00 0.04 5.08 -1.94 -1.73 114.58 116.95 3dkw h GLU 221 Ca 0.35 -0.13 -0.09 0.00 -1.00 0.00 0.00 59.36 58.49 3dkw h GLU 221 Cb 0.55 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 3dkw h GLU 221 CO -0.70 0.71 -0.43 0.00 -1.00 0.00 0.00 179.01 177.60 3dkw h ARG 222 N 0.90 0.00 0.00 2.33 3.08 -0.55 -2.59 114.38 117.54 3dkw h ARG 222 Ca 0.22 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.27 3dkw h ARG 222 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.17 3dkw h ARG 222 CO -0.03 0.43 0.00 -0.07 -1.07 0.00 0.00 179.97 179.23 3dkw h LEU 223 N 0.00 0.00 0.02 3.04 3.38 0.36 -3.31 115.31 118.79 3dkw h LEU 223 Ca -0.00 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.79 3dkw h LEU 223 Cb 0.97 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.69 3dkw h LEU 223 CO 0.06 0.00 -0.97 -0.08 0.09 0.00 0.00 178.44 177.54 3dkw h GLU 224 N 0.00 0.03 0.00 1.13 4.57 -1.05 -3.37 114.58 115.90 3dkw h GLU 224 Ca 0.00 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.12 3dkw h GLU 224 Cb 0.75 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.36 3dkw h GLU 224 CO 0.00 1.03 0.13 0.00 -1.18 0.00 0.00 179.01 178.99 3dkw n PHE 226 N -2.36 0.00 0.00 0.00 3.72 -1.25 -4.16 117.46 113.40 3dkw n PHE 226 Ca -0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 3dkw n PHE 226 Cb 0.16 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.70 3dkw n PHE 226 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10