#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 4.13 -0.13 0.03 2.02 -1.26 -4.94 118.70 118.55 3dkw s GLU 2 Ca 0.00 0.68 0.01 0.00 0.02 0.00 0.00 54.97 55.67 3dkw s GLU 2 Cb 0.00 -3.04 -0.09 0.00 0.10 0.00 0.00 34.13 31.10 3dkw s GLU 2 CO 0.00 0.52 -0.12 1.97 0.02 0.00 0.00 175.26 177.65 3dkw n PHE 3 N 1.14 0.00 -4.10 1.61 1.16 -1.26 -5.08 117.46 110.93 3dkw n PHE 3 Ca -0.06 0.00 -0.10 0.00 -1.87 0.00 0.00 57.45 55.41 3dkw n PHE 3 Cb 0.51 -0.51 -0.08 0.00 -1.61 0.00 0.00 39.48 37.79 3dkw n PHE 3 CO 0.00 0.00 0.00 -0.65 -1.87 0.00 0.00 176.76 174.24 3dkw s GLN 4 N -2.26 1.26 -0.17 3.97 -1.52 -1.26 -5.09 119.66 114.58 3dkw s GLN 4 Ca -0.18 -1.42 -0.07 0.00 -1.95 0.00 0.00 55.36 51.74 3dkw s GLN 4 Cb 0.05 0.34 -0.08 0.00 -0.22 0.00 0.00 33.01 33.10 3dkw s GLN 4 CO 0.30 -0.45 -0.20 0.54 -0.25 0.00 0.00 175.29 175.23 3dkw n ARG 5 N -0.27 0.36 0.07 2.91 1.74 -1.26 -4.59 116.66 115.61 3dkw n ARG 5 Ca -0.01 0.15 -0.11 0.00 -0.77 0.00 0.00 57.85 57.10 3dkw n ARG 5 Cb 0.64 -1.13 -0.13 0.00 -1.02 0.00 0.00 32.46 30.82 3dkw n ARG 5 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3dkw h VAL 6 N -0.51 1.51 0.00 1.55 2.07 -2.01 -3.30 116.25 115.56 3dkw h VAL 6 Ca -0.41 -3.17 -0.01 0.00 0.82 0.00 0.00 66.70 63.93 3dkw h VAL 6 Cb 1.40 2.84 -0.00 0.00 -1.52 0.00 0.00 31.29 34.01 3dkw h VAL 6 CO -0.23 0.89 -0.02 0.45 0.02 0.00 0.00 177.57 178.68 3dkw h HIS 7 N 0.03 0.00 0.00 1.57 3.86 -2.00 -1.37 115.15 117.24 3dkw h HIS 7 Ca -0.10 0.00 -0.12 0.00 -1.16 0.00 0.00 60.37 58.99 3dkw h HIS 7 Cb 1.89 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 30.34 3dkw h HIS 7 CO 0.03 0.02 -0.56 0.37 0.86 0.00 0.00 177.93 178.65 3dkw h GLN 8 N 0.00 0.00 0.00 2.45 4.15 -1.81 -3.15 115.11 116.75 3dkw h GLN 8 Ca -0.00 0.00 -0.08 0.00 0.77 0.00 0.00 58.65 59.34 3dkw h GLN 8 Cb 0.05 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.73 3dkw h GLN 8 CO 0.00 0.56 -0.44 1.96 -1.93 0.00 0.00 178.83 178.98 3dkw h GLN 9 N 0.00 0.00 0.00 1.69 4.20 -1.40 -3.27 115.11 116.34 3dkw h GLN 9 Ca -0.01 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.61 3dkw h GLN 9 Cb 1.22 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.99 3dkw h GLN 9 CO 0.07 0.35 -0.43 -0.07 -0.67 0.00 0.00 178.83 178.09 3dkw h LEU 10 N 0.00 0.00 -1.00 1.46 3.38 -1.43 -2.88 115.31 114.85 3dkw h LEU 10 Ca -0.01 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.87 3dkw h LEU 10 Cb 1.29 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.03 3dkw h LEU 10 CO 0.05 0.43 -0.42 -0.07 0.09 0.00 0.00 178.44 178.52 3dkw h LEU 11 N 0.00 0.00 -1.62 1.67 3.38 -1.63 -2.97 115.31 114.13 3dkw h LEU 11 Ca -0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 3dkw h LEU 11 Cb 0.86 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.61 3dkw h LEU 11 CO 0.06 0.42 -0.19 1.56 0.09 0.00 0.00 178.44 180.37 3dkw h GLN 12 N 0.00 0.00 0.00 1.13 1.08 -1.65 -2.42 115.11 113.25 3dkw h GLN 12 Ca -0.00 0.00 -0.12 0.00 -1.45 0.00 0.00 58.65 57.07 3dkw h GLN 12 Cb 0.88 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.29 3dkw h GLN 12 CO 0.05 0.19 -0.59 0.66 -0.95 0.00 0.00 178.83 178.19 3dkw h SER 13 N 0.00 0.00 -4.20 1.46 4.64 -1.63 -3.39 113.55 110.43 3dkw h SER 13 Ca -0.00 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 60.82 3dkw h SER 13 Cb 0.34 0.00 0.09 0.00 -0.31 0.00 0.00 62.40 62.52 3dkw h SER 13 CO 0.02 0.59 0.38 -2.28 -0.87 0.00 0.00 176.83 174.67 3dkw s HIS 14 N -3.18 2.77 -0.55 4.77 5.65 -0.91 -4.95 115.29 118.88 3dkw s HIS 14 Ca 0.01 1.53 0.24 0.00 0.25 0.00 0.00 55.06 57.10 3dkw s HIS 14 Cb 0.10 -3.11 0.51 0.00 -1.18 0.00 0.00 32.58 28.90 3dkw s HIS 14 CO 0.75 -1.46 1.64 1.12 -0.65 0.00 0.00 174.74 176.13 3dkw h HIS 15 N 0.20 0.00 -0.02 3.88 2.07 -1.88 -2.85 115.15 116.55 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 1.24 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.22 3dkw h HIS 15 CO 0.56 0.00 -0.08 1.28 -3.07 0.00 0.00 177.93 176.62 3dkw n LEU 16 N -2.72 1.67 0.00 6.12 4.77 -1.26 -4.13 117.00 121.45 3dkw n LEU 16 Ca 0.04 -0.54 0.00 0.00 -0.03 0.00 0.00 56.01 55.48 3dkw n LEU 16 Cb 0.49 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 3dkw n LEU 16 CO 0.33 0.28 0.06 0.49 -1.33 0.00 0.00 177.39 177.23 3dkw n PHE 17 N 0.18 0.00 -0.05 -1.77 3.01 -1.23 -4.83 117.46 112.77 3dkw n PHE 17 Ca 0.16 -0.00 -0.13 0.00 1.01 0.00 0.00 57.45 58.49 3dkw n PHE 17 Cb 0.40 -0.00 -0.11 0.00 -0.01 0.00 0.00 39.48 39.75 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 -0.01 0.00 -1.08 4.81 -1.66 -3.30 114.58 113.34 3dkw h GLU 18 Ca 0.00 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 3dkw h GLU 18 Cb 0.40 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.78 3dkw h GLU 18 CO 0.00 0.81 -0.11 -1.35 -0.73 0.00 0.00 179.01 177.63 3dkw h PRO 19 N -0.91 0.00 -6.89 0.92 0.11 -1.87 -3.44 132.00 119.93 3dkw h PRO 19 Ca -0.00 0.00 -0.53 0.00 0.11 0.00 0.00 66.00 65.58 3dkw h PRO 19 Cb 0.82 0.00 0.08 0.00 0.11 0.00 0.00 31.00 32.02 3dkw h PRO 19 CO 0.00 0.11 0.72 -0.51 -0.21 0.00 0.00 178.00 178.11 3dkw s LEU 20 N -7.34 4.37 0.32 2.35 1.43 -1.24 -4.97 118.68 113.59 3dkw s LEU 20 Ca -0.03 2.85 -0.28 0.00 -1.03 0.00 0.00 54.13 55.64 3dkw s LEU 20 Cb 0.13 -3.65 -0.09 0.00 0.03 0.00 0.00 46.19 42.61 3dkw s LEU 20 CO 0.58 -0.71 1.08 -0.44 0.23 0.00 0.00 176.35 177.09 3dkw s SER 21 N -0.19 7.10 0.37 2.29 0.01 -1.26 -4.86 113.70 117.17 3dkw s SER 21 Ca 0.53 2.18 0.14 0.00 1.31 0.00 0.00 55.95 60.11 3dkw s SER 21 Cb -0.43 -2.61 0.97 0.00 0.21 0.00 0.00 66.02 64.15 3dkw s SER 21 CO 0.56 -0.25 1.81 -0.65 0.41 0.00 0.00 173.24 175.11 3dkw h PRO 22 N 3.38 0.52 -0.62 12.44 0.11 -1.95 0.28 132.00 146.17 3dkw h PRO 22 Ca -0.47 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 65.51 3dkw h PRO 22 Cb 1.21 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 3dkw h PRO 22 CO 0.65 0.34 0.02 0.28 -0.21 0.00 0.00 178.00 179.09 3dkw h VAL 23 N 0.53 1.27 0.00 3.15 2.07 -2.00 -1.40 116.25 119.86 3dkw h VAL 23 Ca 0.53 -1.13 -0.14 0.00 0.82 0.00 0.00 66.70 66.78 3dkw h VAL 23 Cb 1.15 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 31.67 3dkw h VAL 23 CO -0.27 0.41 -0.65 1.56 0.02 0.00 0.00 177.57 178.64 3dkw h GLN 24 N 0.98 0.00 -0.14 1.57 4.20 -1.17 -3.20 115.11 117.35 3dkw h GLN 24 Ca 0.18 0.00 -0.18 0.00 0.06 0.00 0.00 58.65 58.71 3dkw h GLN 24 Cb 0.54 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.32 3dkw h GLN 24 CO 0.03 0.65 -0.66 1.25 -0.67 0.00 0.00 178.83 179.43 3dkw h LEU 25 N 0.00 0.61 -0.96 1.46 5.85 -0.28 -2.54 115.31 119.44 3dkw h LEU 25 Ca -0.01 -0.37 -0.01 0.00 0.84 0.00 0.00 57.88 58.33 3dkw h LEU 25 Cb 1.20 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 42.01 3dkw h LEU 25 CO 0.08 1.10 0.49 1.56 -0.34 0.00 0.00 178.44 181.34 3dkw h GLN 26 N 0.38 1.22 0.00 1.25 1.08 -1.26 0.94 115.11 118.72 3dkw h GLN 26 Ca -0.02 -0.13 -0.06 0.00 -1.45 0.00 0.00 58.65 56.99 3dkw h GLN 26 Cb 1.23 -0.24 -0.01 0.00 -0.05 0.00 0.00 27.48 28.40 3dkw h GLN 26 CO 0.12 0.89 -0.29 0.93 -0.95 0.00 0.00 178.83 179.52 3dkw h GLU 27 N 1.23 0.00 0.06 1.46 5.08 -1.57 -2.99 114.58 117.84 3dkw h GLU 27 Ca 0.31 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.43 3dkw h GLU 27 Cb 0.01 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 3dkw h GLU 27 CO -0.05 0.29 -1.18 1.25 -1.00 0.00 0.00 179.01 178.33 3dkw h LEU 28 N 0.00 0.19 -0.57 1.33 5.85 -0.88 -3.28 115.31 117.94 3dkw h LEU 28 Ca -0.00 -0.22 -0.07 0.00 0.84 0.00 0.00 57.88 58.43 3dkw h LEU 28 Cb 1.00 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.95 3dkw h LEU 28 CO 0.04 1.17 -0.32 -0.07 -0.34 0.00 0.00 178.44 178.92 3dkw h LEU 29 N 0.03 0.00 -0.98 2.25 3.38 -0.82 -3.13 115.31 116.05 3dkw h LEU 29 Ca -0.09 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.77 3dkw h LEU 29 Cb 1.88 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.62 3dkw h LEU 29 CO 0.16 0.32 -0.49 0.00 0.09 0.00 0.00 178.44 178.51 3dkw h ALA 30 N 1.68 1.15 0.00 1.53 0.00 -1.58 -2.92 119.26 119.12 3dkw h ALA 30 Ca -0.00 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3dkw h ALA 30 Cb 1.02 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.73 3dkw h ALA 30 CO 0.04 0.62 -0.66 1.03 0.00 0.00 0.00 179.25 180.28 3dkw h SER 31 N 0.04 0.00 -3.72 0.00 0.87 -1.66 -3.46 113.55 105.62 3dkw h SER 31 Ca -0.00 -0.11 -0.49 0.00 -1.23 0.00 0.00 61.79 59.95 3dkw h SER 31 Cb 0.88 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.82 3dkw h SER 31 CO 0.07 0.06 0.19 -0.94 -0.53 0.00 0.00 176.83 175.67 3dkw s SER 32 N -4.82 7.07 -0.01 6.23 1.04 -1.11 -4.73 113.70 117.37 3dkw s SER 32 Ca 0.04 1.53 0.08 0.00 0.48 0.00 0.00 55.95 58.07 3dkw s SER 32 Cb 0.11 -2.46 -0.02 0.00 0.10 0.00 0.00 66.02 63.75 3dkw s SER 32 CO 0.73 -0.07 -0.24 -1.81 0.98 0.00 0.00 173.24 172.83 3dkw s ASP 33 N -1.79 2.83 0.13 7.02 1.01 -1.20 -4.97 116.67 119.70 3dkw s ASP 33 Ca 0.48 -0.45 -0.30 0.00 0.71 0.00 0.00 52.55 52.99 3dkw s ASP 33 Cb -0.15 -0.31 -0.07 0.00 1.01 0.00 0.00 42.92 43.40 3dkw s ASP 33 CO 0.20 0.29 1.25 -0.22 0.21 0.00 0.00 175.17 176.90 3dkw s LEU 34 N -0.65 4.40 -0.11 1.23 2.96 -1.26 -2.55 118.68 122.70 3dkw s LEU 34 Ca 0.09 2.19 0.04 0.00 -0.22 0.00 0.00 54.13 56.23 3dkw s LEU 34 Cb -0.09 -3.59 0.00 0.00 0.50 0.00 0.00 46.19 43.01 3dkw s LEU 34 CO -0.01 -0.48 -0.23 -0.69 -1.32 0.00 0.00 176.35 173.63 3dkw s VAL 35 N 0.59 2.01 -0.18 1.68 1.01 -0.34 -4.98 120.40 120.19 3dkw s VAL 35 Ca 0.58 -0.99 0.01 0.00 0.00 0.00 0.00 61.98 61.58 3dkw s VAL 35 Cb -0.33 -1.75 0.03 0.00 0.00 0.00 0.00 36.38 34.33 3dkw s VAL 35 CO 0.33 0.55 -0.16 0.20 0.00 0.00 0.00 175.10 176.01 3dkw s ASN 36 N 0.45 3.15 0.26 3.32 0.01 -1.26 -0.58 114.94 120.29 3dkw s ASN 36 Ca -0.16 -0.69 0.11 0.00 -0.71 0.00 0.00 52.86 51.40 3dkw s ASN 36 Cb -0.17 -1.37 -0.05 0.00 0.41 0.00 0.00 41.25 40.06 3dkw s ASN 36 CO 0.07 -0.05 -0.19 -0.76 -1.51 0.00 0.00 177.10 174.66 3dkw s LEU 37 N 1.34 2.58 0.00 0.60 1.43 -0.57 -5.04 118.68 119.02 3dkw s LEU 37 Ca 0.03 -1.02 0.00 0.00 -1.03 0.00 0.00 54.13 52.11 3dkw s LEU 37 Cb -0.14 -1.02 0.00 0.00 0.03 0.00 0.00 46.19 45.06 3dkw s LEU 37 CO -0.11 0.00 0.00 0.47 0.23 0.00 0.00 176.35 176.94 3dkw n ASP 38 N -0.55 1.48 -4.71 2.29 8.00 -1.26 -2.16 116.55 119.63 3dkw n ASP 38 Ca -0.06 -0.42 -0.42 0.00 0.71 0.00 0.00 54.79 54.61 3dkw n ASP 38 Cb 0.60 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.67 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 0.05 4.30 -0.43 -1.24 2.20 -1.26 -3.10 119.74 120.26 3dkw s LYS 39 Ca 0.00 2.11 -0.02 0.00 -0.36 0.00 0.00 55.97 57.70 3dkw s LYS 39 Cb 0.00 -3.25 0.00 0.00 -1.51 0.00 0.00 37.83 33.07 3dkw s LYS 39 CO 0.00 -0.47 0.31 0.41 -0.36 0.00 0.00 175.35 175.24 3dkw n GLY 40 N 3.54 0.45 3.59 5.54 0.00 -0.74 -4.98 105.19 112.59 3dkw n GLY 40 Ca 0.12 -0.43 -0.34 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.99 3.06 -0.13 4.61 0.00 -1.18 -4.93 121.76 120.20 3dkw s ALA 41 Ca 0.15 -0.85 -0.15 0.00 0.00 0.00 0.00 51.96 51.11 3dkw s ALA 41 Cb -0.07 -1.37 -0.05 0.00 0.00 0.00 0.00 23.12 21.64 3dkw s ALA 41 CO 0.19 0.49 0.35 0.71 0.00 0.00 0.00 175.76 177.50 3dkw s TYR 42 N -0.54 3.51 -0.10 0.00 1.51 -1.26 0.42 117.35 120.89 3dkw s TYR 42 Ca 0.08 0.72 -0.03 0.00 -1.01 0.00 0.00 57.07 56.83 3dkw s TYR 42 Cb -0.12 -2.38 -0.02 0.00 -0.11 0.00 0.00 41.96 39.33 3dkw s TYR 42 CO 0.02 0.27 0.10 0.28 -1.11 0.00 0.00 175.55 175.11 3dkw h VAL 43 N 4.57 0.10 -3.32 0.71 2.07 -1.76 -3.48 116.25 115.14 3dkw h VAL 43 Ca -0.43 -1.04 -0.16 0.00 0.82 0.00 0.00 66.70 65.89 3dkw h VAL 43 Cb 1.18 0.18 -0.24 0.00 -1.52 0.00 0.00 31.29 30.89 3dkw h VAL 43 CO 0.74 0.03 -0.48 0.72 0.02 0.00 0.00 177.57 178.60 3dkw s PHE 44 N -1.75 -0.14 0.73 1.57 -0.71 -1.25 -5.03 117.98 111.40 3dkw s PHE 44 Ca -0.02 0.32 -0.05 0.00 -1.04 0.00 0.00 56.93 56.14 3dkw s PHE 44 Cb -0.00 0.04 0.10 0.00 -1.21 0.00 0.00 43.02 41.95 3dkw s PHE 44 CO 0.06 -0.18 1.02 -0.98 -1.34 0.00 0.00 175.22 173.81 3dkw s ARG 45 N -0.42 1.85 -1.11 1.99 1.70 -1.26 -0.99 118.95 120.70 3dkw s ARG 45 Ca -0.05 -0.61 -0.08 0.00 -0.47 0.00 0.00 55.73 54.52 3dkw s ARG 45 Cb -0.03 -2.21 0.28 0.00 -0.57 0.00 0.00 34.95 32.42 3dkw s ARG 45 CO 0.01 -1.41 1.22 0.94 -1.08 0.00 0.00 175.30 174.97 3dkw n GLN 46 N -2.95 3.77 0.00 3.89 7.27 -1.25 -4.27 117.38 123.84 3dkw n GLN 46 Ca 0.11 -4.47 0.00 0.00 0.07 0.00 0.00 57.00 52.71 3dkw n GLN 46 Cb 0.60 -2.55 0.00 0.00 2.41 0.00 0.00 30.24 30.70 3dkw n GLN 46 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3dkw n GLY 47 N 2.38 0.55 3.78 1.69 0.00 -1.26 -4.95 105.19 107.38 3dkw n GLY 47 Ca 0.25 -0.03 -0.34 0.00 0.00 0.00 0.00 46.02 45.89 3dkw n GLY 47 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3dkw s GLU 48 N 0.00 3.32 0.16 1.61 -1.05 -1.26 -4.73 118.70 116.75 3dkw s GLU 48 Ca 0.00 1.49 -0.31 0.00 -0.15 0.00 0.00 54.97 55.99 3dkw s GLU 48 Cb 0.00 -2.01 -0.11 0.00 -0.44 0.00 0.00 34.13 31.57 3dkw s GLU 48 CO 0.00 -0.85 1.80 -2.30 0.95 0.00 0.00 175.26 174.86 3dkw n PRO 49 N -1.54 2.82 -2.64 -4.83 -0.02 -1.26 -2.34 135.00 125.19 3dkw n PRO 49 Ca 0.11 1.02 -0.42 0.00 -2.02 0.00 0.00 63.50 62.19 3dkw n PRO 49 Cb 0.52 -2.90 -0.03 0.00 -0.02 0.00 0.00 33.50 31.06 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 2.12 3.23 0.00 3.55 0.00 0.81 -4.80 121.76 126.66 3dkw s ALA 50 Ca 0.79 0.62 0.00 0.00 0.00 0.00 0.00 51.96 53.37 3dkw s ALA 50 Cb -0.48 -3.36 0.00 0.00 0.00 0.00 0.00 23.12 19.28 3dkw s ALA 50 CO 0.35 -0.26 0.26 0.72 0.00 0.00 0.00 175.76 176.82 3dkw n HIS 51 N 3.78 0.00 -3.64 0.00 8.25 -1.26 -4.74 115.22 117.61 3dkw n HIS 51 Ca 0.06 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.42 3dkw n HIS 51 Cb 0.50 0.09 -0.07 0.00 1.12 0.00 0.00 29.99 31.63 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 0.00 -1.90 0.15 -1.41 0.00 -1.26 -1.39 121.76 115.96 3dkw s ALA 52 Ca 0.00 2.09 0.04 0.00 0.00 0.00 0.00 51.96 54.09 3dkw s ALA 52 Cb 0.00 -1.35 -0.04 0.00 0.00 0.00 0.00 23.12 21.73 3dkw s ALA 52 CO 0.00 -0.32 0.19 -0.59 0.00 0.00 0.00 175.76 175.04 3dkw s PHE 53 N 0.69 3.28 0.11 0.00 -0.71 -0.41 -4.88 117.98 116.06 3dkw s PHE 53 Ca -0.02 0.04 0.08 0.00 -1.04 0.00 0.00 56.93 55.99 3dkw s PHE 53 Cb -0.05 -1.57 -0.04 0.00 -1.21 0.00 0.00 43.02 40.15 3dkw s PHE 53 CO -0.07 0.52 -0.15 0.71 -1.34 0.00 0.00 175.22 174.90 3dkw s TYR 54 N -1.73 2.62 -0.19 3.49 1.51 -1.24 -2.39 117.35 119.42 3dkw s TYR 54 Ca 0.32 -0.22 0.01 0.00 -1.01 0.00 0.00 57.07 56.17 3dkw s TYR 54 Cb -0.11 -1.39 0.04 0.00 -0.11 0.00 0.00 41.96 40.39 3dkw s TYR 54 CO 0.25 0.40 -0.10 -0.47 -1.11 0.00 0.00 175.55 174.51 3dkw s TYR 55 N -1.16 2.35 -0.03 2.71 6.14 -1.08 -2.90 117.35 123.38 3dkw s TYR 55 Ca 0.19 -1.52 -0.24 0.00 0.64 0.00 0.00 57.07 56.14 3dkw s TYR 55 Cb -0.11 -1.62 -0.04 0.00 0.42 0.00 0.00 41.96 40.61 3dkw s TYR 55 CO 0.11 -0.73 0.73 -1.17 0.64 0.00 0.00 175.55 175.13 3dkw s LEU 56 N 1.42 4.36 -0.23 6.97 2.96 -1.08 -2.31 118.68 130.77 3dkw s LEU 56 Ca -0.00 1.28 0.02 0.00 -0.22 0.00 0.00 54.13 55.21 3dkw s LEU 56 Cb -0.16 -3.14 -0.15 0.00 0.50 0.00 0.00 46.19 43.24 3dkw s LEU 56 CO -0.08 -0.07 -0.20 -0.38 -1.32 0.00 0.00 176.35 174.29 3dkw n ILE 57 N 3.45 1.33 -3.72 6.68 -0.00 -1.21 -1.79 119.36 124.11 3dkw n ILE 57 Ca -0.02 -0.52 -0.12 0.00 -0.00 0.00 0.00 62.75 62.10 3dkw n ILE 57 Cb 0.51 -1.29 -0.11 0.00 -0.00 0.00 0.00 39.64 38.74 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 -6.21 -0.42 0.00 4.38 1.04 -1.26 -3.46 113.70 107.76 3dkw s SER 58 Ca -0.30 0.76 0.00 0.00 0.48 0.00 0.00 55.95 56.89 3dkw s SER 58 Cb 0.08 0.68 0.00 0.00 0.10 0.00 0.00 66.02 66.88 3dkw s SER 58 CO 0.54 -0.17 0.00 0.61 0.98 0.00 0.00 173.24 175.20 3dkw n GLY 59 N 3.89 0.22 3.10 7.32 0.00 -1.26 -3.05 105.19 115.41 3dkw n GLY 59 Ca -0.21 -2.26 -0.12 0.00 0.00 0.00 0.00 46.02 43.42 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 0.66 1.00 0.39 0.00 1.01 -1.04 -3.00 120.40 119.43 3dkw s VAL 61 Ca -0.04 -0.31 -0.02 0.00 0.00 0.00 0.00 61.98 61.60 3dkw s VAL 61 Cb -0.06 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.29 3dkw s VAL 61 CO -0.04 0.35 0.63 -1.59 0.00 0.00 0.00 175.10 174.46 3dkw s LYS 62 N 1.41 3.52 0.01 2.72 -2.85 0.57 -2.98 119.74 122.15 3dkw s LYS 62 Ca -0.01 -0.11 -0.01 0.00 -1.00 0.00 0.00 55.97 54.85 3dkw s LYS 62 Cb -0.13 -2.56 -0.00 0.00 -2.06 0.00 0.00 37.83 33.07 3dkw s LYS 62 CO -0.05 0.03 -0.01 -0.89 0.10 0.00 0.00 175.35 174.53 3dkw n ILE 63 N -1.85 0.29 -1.05 3.79 -0.00 -1.24 -0.90 119.36 118.41 3dkw n ILE 63 Ca -0.03 0.14 0.13 0.00 -0.00 0.00 0.00 62.75 63.00 3dkw n ILE 63 Cb 0.56 -1.22 -0.04 0.00 -0.00 0.00 0.00 39.64 38.94 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 -2.76 -2.53 -4.39 1.39 4.11 -1.26 -3.92 117.16 107.80 3dkw n TYR 64 Ca -0.00 1.28 -0.20 0.00 -0.00 0.00 0.00 57.90 58.98 3dkw n TYR 64 Cb 0.02 -2.29 -0.10 0.00 -0.00 0.00 0.00 39.34 36.96 3dkw n TYR 64 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.86 177.89 3dkw s ARG 65 N -2.27 1.46 0.00 -3.48 0.52 -0.74 -2.88 118.95 111.56 3dkw s ARG 65 Ca 0.00 -1.73 0.00 0.00 -0.52 0.00 0.00 55.73 53.48 3dkw s ARG 65 Cb 0.00 -0.98 0.00 0.00 0.52 0.00 0.00 34.95 34.49 3dkw s ARG 65 CO 0.00 0.01 0.46 1.28 0.02 0.00 0.00 175.30 177.07 3dkw n LEU 66 N -0.51 0.00 -0.17 2.53 4.77 -1.26 -4.08 117.00 118.28 3dkw n LEU 66 Ca -0.06 -0.23 -0.11 0.00 -0.03 0.00 0.00 56.01 55.58 3dkw n LEU 66 Cb 0.63 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.73 3dkw n LEU 66 CO 0.38 0.15 0.69 0.71 -1.33 0.00 0.00 177.39 177.99 3dkw h THR 67 N 3.49 1.27 0.00 -5.08 1.35 -1.95 -3.24 112.91 108.76 3dkw h THR 67 Ca 0.00 -1.36 0.00 0.00 -0.55 0.00 0.00 66.41 64.50 3dkw h THR 67 Cb 1.04 1.07 0.00 0.00 -1.73 0.00 0.00 68.15 68.54 3dkw h THR 67 CO 0.00 0.47 0.00 -0.65 -0.25 0.00 0.00 175.52 175.09 3dkw h PRO 68 N 0.88 0.00 -5.56 4.72 0.11 -1.94 -3.47 132.00 126.74 3dkw h PRO 68 Ca 0.12 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 66.04 3dkw h PRO 68 Cb 0.77 0.00 0.11 0.00 0.11 0.00 0.00 31.00 31.98 3dkw h PRO 68 CO 0.06 0.00 -0.56 0.39 -0.21 0.00 0.00 178.00 177.68 3dkw n GLU 69 N -2.89 -1.76 0.07 1.05 -0.58 -1.22 -4.93 120.64 110.39 3dkw n GLU 69 Ca 0.00 1.05 0.00 0.00 -0.42 0.00 0.00 57.16 57.80 3dkw n GLU 69 Cb 0.25 -5.48 0.00 0.00 -0.57 0.00 0.00 31.44 25.65 3dkw n GLU 69 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3dkw n GLY 70 N -1.50 -1.14 3.13 0.62 0.00 -1.26 -5.15 105.19 99.90 3dkw n GLY 70 Ca -0.06 0.24 -0.12 0.00 0.00 0.00 0.00 46.02 46.08 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 -1.35 0.73 -1.24 1.61 -0.21 -1.26 -5.08 119.66 112.87 3dkw s GLN 71 Ca 0.00 -1.12 -0.18 0.00 0.02 0.00 0.00 55.36 54.08 3dkw s GLN 71 Cb 0.00 -0.28 0.08 0.00 1.00 0.00 0.00 33.01 33.82 3dkw s GLN 71 CO 0.00 0.02 1.64 -2.00 -2.12 0.00 0.00 175.29 172.82 3dkw s GLU 72 N -2.94 3.93 -0.27 2.91 2.12 -1.26 -4.82 118.70 118.37 3dkw s GLU 72 Ca 0.04 -1.95 -0.29 0.00 0.36 0.00 0.00 54.97 53.13 3dkw s GLU 72 Cb -0.01 -5.43 0.01 0.00 0.26 0.00 0.00 34.13 28.96 3dkw s GLU 72 CO -0.02 -2.17 1.09 0.21 -0.54 0.00 0.00 175.26 173.83 3dkw s LYS 73 N 3.92 4.14 0.21 4.30 2.20 -1.26 -4.91 119.74 128.35 3dkw s LYS 73 Ca 0.51 1.24 -0.30 0.00 -0.36 0.00 0.00 55.97 57.06 3dkw s LYS 73 Cb 0.02 -3.71 -0.08 0.00 -1.51 0.00 0.00 37.83 32.55 3dkw s LYS 73 CO 0.04 -0.80 1.04 0.42 -0.36 0.00 0.00 175.35 175.69 3dkw s ILE 74 N 3.52 3.90 -0.19 5.43 -1.09 -1.26 -1.79 121.20 129.72 3dkw s ILE 74 Ca 0.46 1.76 -0.11 0.00 -2.23 0.00 0.00 60.65 60.53 3dkw s ILE 74 Cb -0.14 -4.12 -0.08 0.00 -1.58 0.00 0.00 42.46 36.54 3dkw s ILE 74 CO 0.12 0.36 -0.26 0.18 -1.23 0.00 0.00 174.94 174.11 3dkw n LEU 75 N 1.90 1.48 -3.75 2.97 4.32 -1.26 -4.87 117.00 117.79 3dkw n LEU 75 Ca 0.00 0.25 -0.13 0.00 -0.02 0.00 0.00 56.01 56.12 3dkw n LEU 75 Cb 0.46 -0.61 -0.09 0.00 -1.62 0.00 0.00 43.42 41.56 3dkw n LEU 75 CO 0.53 0.31 0.04 -1.83 -1.22 0.00 0.00 177.39 175.22 3dkw s GLU 76 N -2.42 0.56 -0.21 3.23 -1.05 -1.26 -5.01 118.70 112.56 3dkw s GLU 76 Ca -0.28 0.15 -0.02 0.00 -0.15 0.00 0.00 54.97 54.68 3dkw s GLU 76 Cb 0.10 0.26 0.01 0.00 -0.44 0.00 0.00 34.13 34.06 3dkw s GLU 76 CO 0.35 -0.12 -0.11 0.08 0.95 0.00 0.00 175.26 176.41 3dkw s VAL 77 N -0.61 2.76 -0.12 1.83 1.01 -1.26 -3.62 120.40 120.39 3dkw s VAL 77 Ca -0.07 -0.74 -0.05 0.00 0.00 0.00 0.00 61.98 61.12 3dkw s VAL 77 Cb -0.04 -2.24 -0.04 0.00 0.00 0.00 0.00 36.38 34.07 3dkw s VAL 77 CO 0.03 0.45 0.08 -0.89 0.00 0.00 0.00 175.10 174.76 3dkw s THR 78 N 1.38 4.96 0.00 3.92 2.01 -1.16 -5.03 115.64 121.73 3dkw s THR 78 Ca 0.05 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.05 3dkw s THR 78 Cb -0.14 -3.15 0.00 0.00 0.01 0.00 0.00 72.50 69.23 3dkw s THR 78 CO -0.08 0.59 0.00 0.59 -0.69 0.00 0.00 174.62 175.04 3dkw n ASN 79 N 2.25 1.21 -4.75 3.53 3.02 -1.26 -2.49 115.26 116.76 3dkw n ASN 79 Ca -0.19 -0.68 -0.33 0.00 -0.03 0.00 0.00 54.58 53.35 3dkw n ASN 79 Cb 0.54 0.00 0.06 0.00 -0.61 0.00 0.00 39.78 39.77 3dkw n ASN 79 CO 0.00 0.00 0.00 -1.83 -2.62 0.00 0.00 177.26 172.81 3dkw s GLU 80 N -0.79 2.58 -1.46 3.52 -1.05 -1.18 -3.48 118.70 116.84 3dkw s GLU 80 Ca 0.00 1.52 -0.11 0.00 -0.15 0.00 0.00 54.97 56.23 3dkw s GLU 80 Cb 0.00 -1.91 0.05 0.00 -0.44 0.00 0.00 34.13 31.83 3dkw s GLU 80 CO 0.00 -1.45 1.00 0.54 0.95 0.00 0.00 175.26 176.30 3dkw n ARG 81 N -2.51 -6.33 -3.77 -4.83 1.74 -0.74 -4.98 116.66 95.24 3dkw n ARG 81 Ca 0.11 0.72 -0.13 0.00 -0.77 0.00 0.00 57.85 57.78 3dkw n ARG 81 Cb 0.51 -5.66 -0.11 0.00 -1.02 0.00 0.00 32.46 26.18 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 -3.21 -0.30 0.12 0.55 0.01 -1.14 -5.04 114.94 105.93 3dkw s ASN 82 Ca 0.59 0.58 -0.10 0.00 -0.71 0.00 0.00 52.86 53.21 3dkw s ASN 82 Cb -0.28 0.60 -0.06 0.00 0.41 0.00 0.00 41.25 41.92 3dkw s ASN 82 CO 0.72 -0.11 0.45 0.42 -1.51 0.00 0.00 177.10 177.08 3dkw s THR 83 N 0.12 5.02 0.01 1.60 -4.23 -1.26 -2.62 115.64 114.29 3dkw s THR 83 Ca -0.00 0.50 0.01 0.00 -1.18 0.00 0.00 61.69 61.03 3dkw s THR 83 Cb -0.02 -3.66 -0.01 0.00 1.34 0.00 0.00 72.50 70.15 3dkw s THR 83 CO 0.00 0.21 -0.05 0.72 -0.54 0.00 0.00 174.62 174.96 3dkw s PHE 84 N -1.49 0.42 -0.96 3.99 -0.71 -1.14 -4.81 117.98 113.28 3dkw s PHE 84 Ca 0.37 -0.19 0.00 0.00 -1.04 0.00 0.00 56.93 56.07 3dkw s PHE 84 Cb -0.14 -0.27 0.00 0.00 -1.21 0.00 0.00 43.02 41.41 3dkw s PHE 84 CO 0.19 -0.03 0.00 0.00 -1.34 0.00 0.00 175.22 174.04 3dkw n ALA 85 N 2.56 -0.14 0.28 1.99 0.00 -1.26 -3.68 120.51 120.25 3dkw n ALA 85 Ca -0.16 0.14 0.12 0.00 0.00 0.00 0.00 53.44 53.55 3dkw n ALA 85 Cb 0.58 -1.18 0.19 0.00 0.00 0.00 0.00 19.45 19.03 3dkw n ALA 85 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 3dkw h GLU 86 N 0.00 0.00 0.00 0.00 9.09 -1.87 -3.13 114.58 118.67 3dkw h GLU 86 Ca -0.19 0.00 -0.02 0.00 0.05 0.00 0.00 59.36 59.20 3dkw h GLU 86 Cb 0.61 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.71 3dkw h GLU 86 CO 0.27 0.00 -0.10 0.00 0.05 0.00 0.00 179.01 179.23 3dkw h ALA 87 N 2.09 1.05 0.00 1.06 0.00 -1.97 -2.38 119.26 119.10 3dkw h ALA 87 Ca 0.00 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 3dkw h ALA 87 Cb 0.96 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 3dkw h ALA 87 CO 0.00 0.13 -0.22 0.52 0.00 0.00 0.00 179.25 179.68 3dkw h MET 88 N 0.00 0.00 -0.10 0.00 2.86 -1.89 -2.71 114.93 113.08 3dkw h MET 88 Ca -0.00 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 3dkw h MET 88 Cb 0.55 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.21 3dkw h MET 88 CO 0.01 0.22 0.01 1.98 1.06 0.00 0.00 176.91 180.19 3dkw h MET 89 N 0.00 0.17 -0.19 1.72 -1.53 -1.60 -3.29 114.93 110.21 3dkw h MET 89 Ca -0.00 -0.05 -0.03 0.00 -3.44 0.00 0.00 59.70 56.18 3dkw h MET 89 Cb 0.56 -0.02 -0.01 0.00 -0.55 0.00 0.00 31.60 31.58 3dkw h MET 89 CO 0.03 0.40 -0.01 0.74 0.14 0.00 0.00 176.91 178.22 3dkw h PHE 90 N -0.09 0.36 -0.57 1.39 -1.00 -1.62 -3.36 116.94 112.05 3dkw h PHE 90 Ca 0.03 -0.07 -0.64 0.00 2.81 0.00 0.00 57.97 60.10 3dkw h PHE 90 Cb 0.32 -0.09 -0.06 0.00 3.61 0.00 0.00 35.95 39.73 3dkw h PHE 90 CO 0.03 0.54 2.28 -1.33 -1.61 0.00 0.00 178.31 178.22 3dkw n MET 91 N -4.70 2.83 -0.56 1.51 2.81 -1.04 -4.86 117.12 113.12 3dkw n MET 91 Ca -0.05 -2.95 0.00 0.00 -1.81 0.00 0.00 57.70 52.89 3dkw n MET 91 Cb 0.23 -3.45 0.00 0.00 -0.71 0.00 0.00 33.22 29.29 3dkw n MET 91 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 3dkw n ASP 92 N 8.60 -1.07 -4.33 7.83 9.92 -1.26 -4.78 116.55 131.46 3dkw n ASP 92 Ca 0.49 -0.74 -0.32 0.00 -0.53 0.00 0.00 54.79 53.68 3dkw n ASP 92 Cb 0.44 -0.31 -0.15 0.00 -0.64 0.00 0.00 41.12 40.46 3dkw n ASP 92 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 3dkw s THR 93 N 0.13 2.62 0.26 -3.53 -4.23 -1.26 -5.04 115.64 104.59 3dkw s THR 93 Ca 0.00 -0.84 -0.01 0.00 -1.18 0.00 0.00 61.69 59.67 3dkw s THR 93 Cb 0.00 -2.04 0.09 0.00 1.34 0.00 0.00 72.50 71.89 3dkw s THR 93 CO 0.00 0.55 1.73 1.55 -0.54 0.00 0.00 174.62 177.91 3dkw h PRO 94 N 6.41 0.67 -5.05 3.99 0.13 -1.89 -3.42 132.00 132.84 3dkw h PRO 94 Ca -0.28 -0.21 -0.35 0.00 -0.87 0.00 0.00 66.00 64.29 3dkw h PRO 94 Cb 1.21 -0.06 -0.14 0.00 0.13 0.00 0.00 31.00 32.13 3dkw h PRO 94 CO 0.51 0.77 -0.68 -0.80 -0.23 0.00 0.00 178.00 177.57 3dkw s ASN 95 N -6.72 1.75 0.59 1.44 0.01 -1.26 -0.14 114.94 110.61 3dkw s ASN 95 Ca -0.08 -1.12 -0.18 0.00 -0.71 0.00 0.00 52.86 50.76 3dkw s ASN 95 Cb 0.14 0.01 -0.04 0.00 0.41 0.00 0.00 41.25 41.78 3dkw s ASN 95 CO 0.81 -0.44 1.16 -0.31 -1.51 0.00 0.00 177.10 176.80 3dkw s TYR 96 N -3.40 2.53 -0.71 2.20 2.02 -0.99 -4.60 117.35 114.40 3dkw s TYR 96 Ca 0.23 1.54 0.17 0.00 -0.37 0.00 0.00 57.07 58.64 3dkw s TYR 96 Cb 0.04 -3.34 -0.20 0.00 -0.40 0.00 0.00 41.96 38.06 3dkw s TYR 96 CO 0.05 -1.86 0.69 1.33 -1.57 0.00 0.00 175.55 174.18 3dkw n VAL 97 N -1.67 0.00 -4.19 0.71 0.24 -1.26 -4.18 118.33 107.98 3dkw n VAL 97 Ca 0.12 -0.13 -0.12 0.00 -2.04 0.00 0.00 64.34 62.16 3dkw n VAL 97 Cb 0.51 0.88 -0.09 0.00 -1.47 0.00 0.00 33.84 33.66 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 -2.71 1.09 0.49 2.33 0.00 -1.26 -4.94 121.76 116.76 3dkw s ALA 98 Ca 0.05 -1.65 -0.00 0.00 0.00 0.00 0.00 51.96 50.36 3dkw s ALA 98 Cb 0.13 1.36 0.04 0.00 0.00 0.00 0.00 23.12 24.65 3dkw s ALA 98 CO 0.71 -0.62 0.26 2.41 0.00 0.00 0.00 175.76 178.53 3dkw n THR 99 N -0.31 0.00 -3.64 0.00 -1.04 -1.14 -3.76 114.28 104.38 3dkw n THR 99 Ca 0.02 -0.41 -0.05 0.00 -2.04 0.00 0.00 64.05 61.57 3dkw n THR 99 Cb 0.65 -1.27 -0.07 0.00 -1.82 0.00 0.00 70.33 67.82 3dkw n THR 99 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3dkw s ALA 100 N -2.90 -2.04 -0.19 2.41 0.00 -0.16 -4.50 121.76 114.38 3dkw s ALA 100 Ca 0.17 2.31 -0.17 0.00 0.00 0.00 0.00 51.96 54.28 3dkw s ALA 100 Cb -0.01 -1.54 0.05 0.00 0.00 0.00 0.00 23.12 21.62 3dkw s ALA 100 CO 0.12 -0.36 0.50 -1.14 0.00 0.00 0.00 175.76 174.88 3dkw s GLN 101 N 1.44 0.58 -0.23 0.00 0.74 -0.08 -2.01 119.66 120.10 3dkw s GLN 101 Ca -0.09 0.72 -0.14 0.00 0.05 0.00 0.00 55.36 55.90 3dkw s GLN 101 Cb -0.04 0.26 -0.04 0.00 1.10 0.00 0.00 33.01 34.29 3dkw s GLN 101 CO -0.17 -0.08 0.33 0.00 -0.55 0.00 0.00 175.29 174.82 3dkw s ALA 102 N 0.38 3.57 -0.09 1.58 0.00 0.17 -0.31 121.76 127.05 3dkw s ALA 102 Ca -0.01 -0.70 0.19 0.00 0.00 0.00 0.00 51.96 51.44 3dkw s ALA 102 Cb -0.04 -2.57 0.37 0.00 0.00 0.00 0.00 23.12 20.88 3dkw s ALA 102 CO -0.01 -0.37 1.59 -0.39 0.00 0.00 0.00 175.76 176.58 3dkw h VAL 103 N 5.13 0.69 -3.98 0.00 -1.51 -1.85 -1.96 116.25 112.77 3dkw h VAL 103 Ca -0.35 -1.74 -0.36 0.00 -1.23 0.00 0.00 66.70 63.02 3dkw h VAL 103 Cb 1.16 2.17 -0.23 0.00 -2.13 0.00 0.00 31.29 32.26 3dkw h VAL 103 CO 0.68 0.36 -0.76 0.68 -1.23 0.00 0.00 177.57 177.29 3dkw s VAL 104 N -3.22 0.79 -0.39 7.19 -7.23 -1.26 -4.29 120.40 112.00 3dkw s VAL 104 Ca 0.03 -0.96 -0.42 0.00 -1.81 0.00 0.00 61.98 58.82 3dkw s VAL 104 Cb 0.08 -0.77 -0.17 0.00 0.56 0.00 0.00 36.38 36.09 3dkw s VAL 104 CO 0.70 -0.16 1.84 -2.65 -0.31 0.00 0.00 175.10 174.52 3dkw n PRO 105 N 1.79 0.64 -4.07 4.82 -0.02 -1.26 -4.45 135.00 132.44 3dkw n PRO 105 Ca -0.20 0.22 -0.13 0.00 -2.02 0.00 0.00 63.50 61.37 3dkw n PRO 105 Cb 0.55 -1.89 -0.11 0.00 -0.02 0.00 0.00 33.50 32.03 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 4.38 0.90 -0.12 2.55 0.01 -0.92 -4.66 113.70 115.84 3dkw s SER 106 Ca 1.06 -0.56 -0.04 0.00 1.31 0.00 0.00 55.95 57.72 3dkw s SER 106 Cb -1.23 0.03 -0.04 0.00 0.21 0.00 0.00 66.02 65.00 3dkw s SER 106 CO 0.68 -0.20 0.04 -1.58 0.41 0.00 0.00 173.24 172.59 3dkw s GLN 107 N -1.61 3.36 0.12 12.44 0.74 -1.17 -1.51 119.66 132.04 3dkw s GLN 107 Ca -0.09 -0.34 0.03 0.00 0.05 0.00 0.00 55.36 55.01 3dkw s GLN 107 Cb -0.10 -2.98 -0.04 0.00 1.10 0.00 0.00 33.01 30.99 3dkw s GLN 107 CO 0.00 0.59 -0.09 -0.51 -0.55 0.00 0.00 175.29 174.73 3dkw s LEU 108 N -0.53 2.52 -0.13 3.68 1.02 0.25 -3.28 118.68 122.20 3dkw s LEU 108 Ca 0.10 -1.00 -0.02 0.00 0.02 0.00 0.00 54.13 53.23 3dkw s LEU 108 Cb -0.12 -0.23 -0.03 0.00 0.02 0.00 0.00 46.19 45.83 3dkw s LEU 108 CO 0.02 -0.38 -0.05 -0.36 0.02 0.00 0.00 176.35 175.59 3dkw s PHE 109 N -3.41 2.99 -0.88 0.29 0.40 -0.98 -1.20 117.98 115.19 3dkw s PHE 109 Ca 0.14 -0.26 -0.07 0.00 -0.60 0.00 0.00 56.93 56.14 3dkw s PHE 109 Cb 0.03 -1.89 0.22 0.00 0.51 0.00 0.00 43.02 41.90 3dkw s PHE 109 CO -0.02 0.04 0.80 0.50 0.70 0.00 0.00 175.22 177.24 3dkw s ARG 110 N 0.08 3.47 -0.05 0.44 3.52 -1.06 -2.62 118.95 122.72 3dkw s ARG 110 Ca -0.01 -2.91 -0.22 0.00 -0.13 0.00 0.00 55.73 52.46 3dkw s ARG 110 Cb -0.14 -4.19 -0.04 0.00 -1.56 0.00 0.00 34.95 29.02 3dkw s ARG 110 CO 0.03 -1.25 0.64 -0.06 -0.81 0.00 0.00 175.30 173.85 3dkw s PHE 111 N -0.69 3.60 0.31 5.12 0.40 -1.00 -3.22 117.98 122.49 3dkw s PHE 111 Ca 0.24 1.18 -0.29 0.00 -0.60 0.00 0.00 56.93 57.46 3dkw s PHE 111 Cb -0.11 -2.71 -0.10 0.00 0.51 0.00 0.00 43.02 40.61 3dkw s PHE 111 CO -0.09 0.18 1.17 0.45 0.70 0.00 0.00 175.22 177.63 3dkw s SER 112 N 0.48 7.04 0.22 1.36 0.15 -1.26 -1.28 113.70 120.40 3dkw s SER 112 Ca 0.34 2.40 0.00 0.00 0.70 0.00 0.00 55.95 59.39 3dkw s SER 112 Cb -0.17 -2.63 0.19 0.00 -1.71 0.00 0.00 66.02 61.70 3dkw s SER 112 CO 0.17 -0.32 1.54 0.78 1.20 0.00 0.00 173.24 176.61 3dkw h ASN 113 N 3.54 0.46 0.66 5.45 2.35 -1.57 -3.10 115.58 123.37 3dkw h ASN 113 Ca -0.48 -0.25 -0.08 0.00 -0.55 0.00 0.00 56.30 54.94 3dkw h ASN 113 Cb 1.22 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 39.44 3dkw h ASN 113 CO 0.66 0.92 -0.40 0.11 -1.65 0.00 0.00 177.43 177.07 3dkw h LYS 114 N 0.32 0.00 0.00 0.81 1.57 -1.93 -2.04 116.57 115.30 3dkw h LYS 114 Ca 0.00 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.69 3dkw h LYS 114 Cb 1.07 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.37 3dkw h LYS 114 CO 0.10 0.40 -0.45 0.00 -0.57 0.00 0.00 179.45 178.93 3dkw h ALA 115 N 1.60 0.81 0.11 3.86 0.00 -1.92 -3.03 119.26 120.70 3dkw h ALA 115 Ca -0.00 -0.41 -0.34 0.00 0.00 0.00 0.00 54.91 54.16 3dkw h ALA 115 Cb 0.84 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 3dkw h ALA 115 CO 0.05 0.56 -1.82 -0.92 0.00 0.00 0.00 179.25 177.13 3dkw h TYR 116 N 0.00 0.43 -0.60 0.00 3.20 -1.48 -3.35 116.97 115.17 3dkw h TYR 116 Ca -0.00 -0.32 -0.05 0.00 3.14 0.00 0.00 58.73 61.50 3dkw h TYR 116 Cb 1.16 -0.02 -0.03 0.00 1.54 0.00 0.00 36.73 39.38 3dkw h TYR 116 CO 0.00 1.55 0.18 -0.07 -1.64 0.00 0.00 178.16 178.19 3dkw h LEU 117 N 0.07 0.85 -1.98 2.82 3.38 -1.44 -2.20 115.31 116.80 3dkw h LEU 117 Ca -0.35 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 57.46 3dkw h LEU 117 Cb 2.04 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 42.57 3dkw h LEU 117 CO 0.12 0.80 -0.09 0.03 0.09 0.00 0.00 178.44 179.39 3dkw h ARG 118 N 0.88 0.00 0.00 1.13 3.08 -1.68 -0.72 114.38 117.07 3dkw h ARG 118 Ca 0.20 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.25 3dkw h ARG 118 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.31 3dkw h ARG 118 CO -0.01 0.09 -0.23 1.04 -1.07 0.00 0.00 179.97 179.80 3dkw n GLN 119 N -4.05 0.19 -0.06 0.04 6.02 -0.84 -3.76 117.38 114.92 3dkw n GLN 119 Ca -0.03 0.12 -0.11 0.00 -0.01 0.00 0.00 57.00 56.97 3dkw n GLN 119 Cb 0.18 -1.68 -0.15 0.00 1.02 0.00 0.00 30.24 29.61 3dkw n GLN 119 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3dkw n LEU 120 N -2.00 0.87 -4.74 1.08 4.77 -0.37 -4.76 117.00 111.85 3dkw n LEU 120 Ca 0.05 0.16 -0.37 0.00 -0.03 0.00 0.00 56.01 55.82 3dkw n LEU 120 Cb 0.41 0.09 0.05 0.00 -2.33 0.00 0.00 43.42 41.63 3dkw n LEU 120 CO 0.32 0.54 0.89 -1.10 -1.33 0.00 0.00 177.39 176.71 3dkw s GLN 121 N -2.54 2.87 0.00 3.23 -0.21 -0.66 -3.57 119.66 118.78 3dkw s GLN 121 Ca -0.12 2.00 0.00 0.00 0.02 0.00 0.00 55.36 57.26 3dkw s GLN 121 Cb 0.07 -1.97 0.00 0.00 1.00 0.00 0.00 33.01 32.11 3dkw s GLN 121 CO 0.80 -1.33 0.00 -0.25 -2.12 0.00 0.00 175.29 172.38 3dkw n ASP 122 N -1.57 0.00 -4.68 5.90 8.00 -1.26 -4.85 116.55 118.10 3dkw n ASP 122 Ca 0.14 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.22 3dkw n ASP 122 Cb 0.48 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.55 3dkw n ASP 122 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 3dkw s ASN 123 N 0.00 6.55 -0.23 -2.24 3.84 -1.23 -4.90 114.94 116.72 3dkw s ASN 123 Ca 0.00 2.52 0.06 0.00 0.21 0.00 0.00 52.86 55.65 3dkw s ASN 123 Cb 0.00 -2.55 -0.20 0.00 -0.55 0.00 0.00 41.25 37.95 3dkw s ASN 123 CO 0.00 -0.96 -0.07 1.07 -2.79 0.00 0.00 177.10 174.35 3dkw n THR 124 N 5.10 1.49 -0.22 -5.21 5.66 -1.26 -4.34 114.28 115.49 3dkw n THR 124 Ca 0.17 -0.66 -0.05 0.00 -3.05 0.00 0.00 64.05 60.47 3dkw n THR 124 Cb 0.41 -1.18 0.11 0.00 -1.55 0.00 0.00 70.33 68.12 3dkw n THR 124 CO 0.00 0.00 0.00 -0.65 -3.05 0.00 0.00 175.07 171.37 3dkw h PRO 125 N 0.01 1.05 -0.85 1.09 0.11 -1.96 -2.72 132.00 128.72 3dkw h PRO 125 Ca -0.55 -0.21 -0.03 0.00 0.11 0.00 0.00 66.00 65.33 3dkw h PRO 125 Cb 2.01 -0.16 -0.04 0.00 0.11 0.00 0.00 31.00 32.92 3dkw h PRO 125 CO -0.04 0.89 0.42 1.25 -0.21 0.00 0.00 178.00 180.31 3dkw h LEU 126 N 1.01 1.10 -0.50 2.35 5.85 -1.94 -0.50 115.31 122.69 3dkw h LEU 126 Ca 0.23 -0.13 -0.10 0.00 0.84 0.00 0.00 57.88 58.72 3dkw h LEU 126 Cb 0.27 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.00 3dkw h LEU 126 CO -0.01 0.92 -0.09 0.00 -0.34 0.00 0.00 178.44 178.92 3dkw h ALA 127 N 1.25 0.68 -0.21 1.25 0.00 -1.70 -2.58 119.26 117.94 3dkw h ALA 127 Ca 0.29 -0.33 -0.13 0.00 0.00 0.00 0.00 54.91 54.74 3dkw h ALA 127 Cb 0.10 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3dkw h ALA 127 CO -0.04 0.57 -0.41 -0.07 0.00 0.00 0.00 179.25 179.30 3dkw h LEU 128 N 0.80 0.53 -0.62 0.00 3.38 -1.20 -2.86 115.31 115.33 3dkw h LEU 128 Ca 0.13 -0.23 -0.03 0.00 0.09 0.00 0.00 57.88 57.83 3dkw h LEU 128 Cb 0.64 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.22 3dkw h LEU 128 CO 0.04 0.88 0.26 0.00 0.09 0.00 0.00 178.44 179.71 3dkw h ALA 129 N 1.15 0.81 -0.56 1.53 0.00 -0.97 -1.34 119.26 119.88 3dkw h ALA 129 Ca 0.04 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 3dkw h ALA 129 Cb 0.89 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 3dkw h ALA 129 CO 0.08 0.41 0.23 -0.07 0.00 0.00 0.00 179.25 179.89 3dkw h LEU 130 N 0.87 0.74 -0.91 0.00 3.38 -1.36 -1.96 115.31 116.07 3dkw h LEU 130 Ca 0.21 -0.09 -0.11 0.00 0.09 0.00 0.00 57.88 57.98 3dkw h LEU 130 Cb 0.18 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 3dkw h LEU 130 CO -0.02 0.66 -0.48 -0.07 0.09 0.00 0.00 178.44 178.62 3dkw h LEU 131 N 0.80 0.17 0.28 1.67 3.38 -1.22 -2.42 115.31 117.96 3dkw h LEU 131 Ca 0.19 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 3dkw h LEU 131 Cb 0.15 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.86 3dkw h LEU 131 CO -0.02 0.63 -0.13 0.00 0.09 0.00 0.00 178.44 179.00 3dkw h ALA 132 N 1.38 -0.37 0.00 1.53 0.00 -0.48 0.75 119.26 122.07 3dkw h ALA 132 Ca 0.01 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 3dkw h ALA 132 Cb 0.89 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 3dkw h ALA 132 CO 0.07 -0.64 -0.06 0.87 0.00 0.00 0.00 179.25 179.49 3dkw h LYS 133 N -0.52 0.00 0.11 0.00 1.57 -1.52 -2.52 116.57 113.69 3dkw h LYS 133 Ca -0.04 0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 58.46 3dkw h LYS 133 Cb 0.38 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.69 3dkw h LYS 133 CO 0.06 0.06 -1.33 1.25 -0.57 0.00 0.00 179.45 178.93 3dkw h LEU 134 N 0.00 0.37 -0.11 2.94 5.85 -1.15 -3.14 115.31 120.07 3dkw h LEU 134 Ca -0.00 -0.43 -0.24 0.00 0.84 0.00 0.00 57.88 58.05 3dkw h LEU 134 Cb 0.55 -0.12 0.01 0.00 0.37 0.00 0.00 40.66 41.48 3dkw h LEU 134 CO 0.01 1.35 -0.89 0.77 -0.34 0.00 0.00 178.44 179.34 3dkw h SER 135 N 0.06 0.90 -0.15 1.25 4.64 -0.67 -2.85 113.55 116.73 3dkw h SER 135 Ca -0.16 -0.64 -0.05 0.00 -0.47 0.00 0.00 61.79 60.46 3dkw h SER 135 Cb 1.97 -0.27 -0.02 0.00 -0.31 0.00 0.00 62.40 63.78 3dkw h SER 135 CO 0.18 1.44 -0.06 0.71 -0.87 0.00 0.00 176.83 178.24 3dkw h THR 136 N 0.46 1.20 -0.11 2.95 1.35 -1.57 -2.35 112.91 114.83 3dkw h THR 136 Ca -0.08 -0.82 -0.14 0.00 -0.55 0.00 0.00 66.41 64.81 3dkw h THR 136 Cb 1.52 1.05 -0.01 0.00 -1.73 0.00 0.00 68.15 68.98 3dkw h THR 136 CO 0.18 0.27 -0.55 0.03 -0.25 0.00 0.00 175.52 175.19 3dkw h ARG 137 N 0.42 0.34 -0.72 4.72 3.08 -1.54 -2.88 114.38 117.81 3dkw h ARG 137 Ca 0.09 -0.22 -0.04 0.00 0.07 0.00 0.00 59.98 59.88 3dkw h ARG 137 Cb 0.37 0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.41 3dkw h ARG 137 CO 0.02 0.81 0.28 -0.07 -1.07 0.00 0.00 179.97 179.93 3dkw h LEU 138 N 0.26 1.00 -1.03 3.04 3.38 -1.19 -1.69 115.31 119.08 3dkw h LEU 138 Ca 0.00 -0.18 -0.06 0.00 0.09 0.00 0.00 57.88 57.73 3dkw h LEU 138 Cb 1.06 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.52 3dkw h LEU 138 CO 0.09 0.91 0.04 0.45 0.09 0.00 0.00 178.44 180.02 3dkw h HIS 139 N 1.04 0.77 0.00 1.13 3.86 -1.39 0.03 115.15 120.59 3dkw h HIS 139 Ca 0.24 -0.09 -0.11 0.00 -1.16 0.00 0.00 60.37 59.25 3dkw h HIS 139 Cb 0.23 -0.22 -0.02 0.00 1.06 0.00 0.00 27.41 28.46 3dkw h HIS 139 CO 0.02 0.70 -0.52 1.96 0.86 0.00 0.00 177.93 180.95 3dkw h GLN 140 N 0.70 0.00 0.22 2.45 4.20 -1.25 -2.27 115.11 119.17 3dkw h GLN 140 Ca 0.15 0.00 -0.34 0.00 0.06 0.00 0.00 58.65 58.51 3dkw h GLN 140 Cb 0.37 0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.17 3dkw h GLN 140 CO 0.01 0.52 -1.61 0.00 -0.67 0.00 0.00 178.83 177.08 3dkw h ARG 141 N 0.00 0.46 -0.56 1.46 2.47 -0.93 -3.24 114.38 114.04 3dkw h ARG 141 Ca -0.01 -0.79 -0.10 0.00 -1.26 0.00 0.00 59.98 57.82 3dkw h ARG 141 Cb 0.97 0.29 -0.02 0.00 -1.65 0.00 0.00 29.97 29.57 3dkw h ARG 141 CO 0.07 1.38 -0.06 0.82 0.56 0.00 0.00 179.97 182.74 3dkw h ILE 142 N 0.11 1.27 0.00 2.04 2.04 -1.01 -2.52 117.51 119.44 3dkw h ILE 142 Ca -0.30 -1.21 -0.03 0.00 1.00 0.00 0.00 64.86 64.32 3dkw h ILE 142 Cb 2.12 0.91 -0.00 0.00 -0.74 0.00 0.00 36.82 39.11 3dkw h ILE 142 CO 0.22 0.43 -0.14 -0.78 0.00 0.00 0.00 178.15 177.89 3dkw h ASP 143 N 0.91 0.00 0.71 1.72 3.58 -1.54 -1.46 116.42 120.34 3dkw h ASP 143 Ca 0.15 0.00 -0.18 0.00 0.42 0.00 0.00 57.03 57.42 3dkw h ASP 143 Cb 0.62 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.65 3dkw h ASP 143 CO 0.04 0.14 -0.83 -0.33 -2.88 0.00 0.00 179.24 175.38 3dkw h GLU 144 N 0.00 0.08 -0.18 0.28 5.08 -1.50 -3.20 114.58 115.14 3dkw h GLU 144 Ca -0.00 -0.09 -0.19 0.00 -1.00 0.00 0.00 59.36 58.09 3dkw h GLU 144 Cb 0.26 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.54 3dkw h GLU 144 CO 0.02 0.86 -0.64 0.82 -1.00 0.00 0.00 179.01 179.07 3dkw h ILE 145 N 0.04 1.31 0.00 3.13 2.04 -0.89 -0.78 117.51 122.36 3dkw h ILE 145 Ca -0.02 -1.89 -0.01 0.00 1.00 0.00 0.00 64.86 63.94 3dkw h ILE 145 Cb 1.45 1.85 -0.00 0.00 -0.74 0.00 0.00 36.82 39.37 3dkw h ILE 145 CO 0.12 0.59 -0.05 -0.33 0.00 0.00 0.00 178.15 178.48 3dkw h GLU 146 N 0.49 0.00 0.05 2.37 5.08 -1.34 0.31 114.58 121.54 3dkw h GLU 146 Ca -0.01 0.00 -0.36 0.00 -1.00 0.00 0.00 59.36 57.98 3dkw h GLU 146 Cb 1.22 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.43 3dkw h GLU 146 CO 0.13 0.05 -2.10 0.25 -1.00 0.00 0.00 179.01 176.34 3dkw n THR 147 N -3.45 1.62 -0.10 1.13 -2.24 -1.13 -3.72 114.28 106.39 3dkw n THR 147 Ca -0.02 -0.48 -0.11 0.00 -2.27 0.00 0.00 64.05 61.16 3dkw n THR 147 Cb 0.17 -1.72 -0.04 0.00 -2.10 0.00 0.00 70.33 66.65 3dkw n THR 147 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3dkw h LEU 148 N -0.29 0.51 -1.49 3.22 3.38 -0.99 0.14 115.31 119.80 3dkw h LEU 148 Ca -0.50 -0.32 -0.04 0.00 0.09 0.00 0.00 57.88 57.11 3dkw h LEU 148 Cb 1.81 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 42.41 3dkw h LEU 148 CO -0.09 0.71 -0.11 0.77 0.09 0.00 0.00 178.44 179.82 3dkw h SER 149 N 0.30 0.19 0.26 -0.43 4.64 -1.15 -0.30 113.55 117.05 3dkw h SER 149 Ca 0.08 -0.03 -0.23 0.00 -0.47 0.00 0.00 61.79 61.14 3dkw h SER 149 Cb 0.46 -0.05 0.01 0.00 -0.31 0.00 0.00 62.40 62.51 3dkw h SER 149 CO 0.02 0.32 -0.95 0.25 -0.87 0.00 0.00 176.83 175.60 3dkw h LEU 150 N 0.19 0.61 -0.63 5.97 5.85 -1.59 -2.90 115.31 122.81 3dkw h LEU 150 Ca 0.04 -0.48 -0.10 0.00 0.84 0.00 0.00 57.88 58.18 3dkw h LEU 150 Cb 0.32 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.14 3dkw h LEU 150 CO 0.02 1.28 0.01 0.11 -0.34 0.00 0.00 178.44 179.51 3dkw h LYS 151 N 0.27 1.08 0.00 1.25 1.57 -0.38 0.79 116.57 121.15 3dkw h LYS 151 Ca -0.09 -0.34 -0.03 0.00 -1.87 0.00 0.00 60.65 58.33 3dkw h LYS 151 Cb 1.58 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 33.79 3dkw h LYS 151 CO 0.17 1.05 -0.13 -0.91 -0.57 0.00 0.00 179.45 179.05 3dkw h ASN 152 N 0.99 0.00 0.14 0.86 2.35 -1.09 -1.96 115.58 116.87 3dkw h ASN 152 Ca 0.18 0.00 -0.35 0.00 -0.55 0.00 0.00 56.30 55.58 3dkw h ASN 152 Cb 0.56 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.92 3dkw h ASN 152 CO 0.03 0.13 -1.82 0.00 -1.65 0.00 0.00 177.43 174.13 3dkw h ALA 153 N 1.87 0.30 -0.51 -0.83 0.00 -1.23 -3.32 119.26 115.54 3dkw h ALA 153 Ca -0.00 -1.26 -0.06 0.00 0.00 0.00 0.00 54.91 53.58 3dkw h ALA 153 Cb 0.39 0.60 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 3dkw h ALA 153 CO 0.02 1.13 0.08 1.79 0.00 0.00 0.00 179.25 182.27 3dkw h THR 154 N -0.00 1.25 -0.12 0.00 1.35 -0.74 -2.37 112.91 112.28 3dkw h THR 154 Ca -0.38 -0.94 -0.02 0.00 -0.55 0.00 0.00 66.41 64.51 3dkw h THR 154 Cb 2.00 0.88 -0.01 0.00 -1.73 0.00 0.00 68.15 69.28 3dkw h THR 154 CO 0.10 0.34 -0.04 0.45 -0.25 0.00 0.00 175.52 176.12 3dkw h HIS 155 N 0.73 0.17 -0.10 4.73 -0.00 -1.53 -1.93 115.15 117.20 3dkw h HIS 155 Ca 0.15 -0.01 -0.19 0.00 -0.00 0.00 0.00 60.37 60.33 3dkw h HIS 155 Cb 0.40 -0.05 -0.00 0.00 -0.00 0.00 0.00 27.41 27.76 3dkw h HIS 155 CO 0.03 0.22 -0.72 0.00 -0.00 0.00 0.00 177.93 177.46 3dkw h ARG 156 N 0.17 0.48 -0.34 2.45 3.08 -1.58 -2.25 114.38 116.38 3dkw h ARG 156 Ca 0.04 -0.38 -0.08 0.00 0.07 0.00 0.00 59.98 59.62 3dkw h ARG 156 Cb 0.18 0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.29 3dkw h ARG 156 CO 0.01 1.01 -0.14 0.28 -1.07 0.00 0.00 179.97 180.06 3dkw h VAL 157 N 0.34 1.25 0.00 2.04 2.07 -0.86 -1.60 116.25 119.48 3dkw h VAL 157 Ca -0.03 -1.13 0.00 0.00 0.82 0.00 0.00 66.70 66.36 3dkw h VAL 157 Cb 1.30 1.15 0.00 0.00 -1.52 0.00 0.00 31.29 32.21 3dkw h VAL 157 CO 0.13 0.37 -0.01 0.52 0.02 0.00 0.00 177.57 178.60 3dkw n VAL 158 N -4.17 0.14 0.05 2.57 0.31 -0.80 -3.47 118.33 112.95 3dkw n VAL 158 Ca 0.01 -0.07 -0.22 0.00 -0.01 0.00 0.00 64.34 64.05 3dkw n VAL 158 Cb 0.36 -0.50 -0.15 0.00 -0.91 0.00 0.00 33.84 32.64 3dkw n VAL 158 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 3dkw h ARG 159 N 0.00 0.34 0.00 5.55 2.43 -0.70 -3.28 114.38 118.72 3dkw h ARG 159 Ca 0.00 -0.58 0.00 0.00 -0.81 0.00 0.00 59.98 58.59 3dkw h ARG 159 Cb 0.56 0.22 0.00 0.00 -0.42 0.00 0.00 29.97 30.32 3dkw h ARG 159 CO 0.00 1.27 0.00 0.10 -1.51 0.00 0.00 179.97 179.83 3dkw h TYR 160 N 0.09 0.00 0.02 2.20 -0.00 -1.43 -2.39 116.97 115.47 3dkw h TYR 160 Ca -0.38 0.00 -0.21 0.00 -0.00 0.00 0.00 58.73 58.15 3dkw h TYR 160 Cb 2.07 0.00 -0.02 0.00 -0.00 0.00 0.00 36.73 38.78 3dkw h TYR 160 CO 0.09 0.00 -0.96 -0.07 -0.00 0.00 0.00 178.16 177.22 3dkw h LEU 161 N 0.00 0.10 -0.10 0.10 3.38 -1.69 -2.37 115.31 114.74 3dkw h LEU 161 Ca 0.00 -0.10 -0.24 0.00 0.09 0.00 0.00 57.88 57.63 3dkw h LEU 161 Cb 0.71 -0.03 0.01 0.00 0.09 0.00 0.00 40.66 41.44 3dkw h LEU 161 CO 0.00 1.00 -1.01 -0.07 0.09 0.00 0.00 178.44 178.45 3dkw h LEU 162 N 0.03 0.61 -0.59 1.67 3.38 -1.55 -1.96 115.31 116.90 3dkw h LEU 162 Ca -0.03 -0.51 -0.15 0.00 0.09 0.00 0.00 57.88 57.28 3dkw h LEU 162 Cb 1.67 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 42.22 3dkw h LEU 162 CO 0.13 1.31 -0.61 0.71 0.09 0.00 0.00 178.44 180.08 3dkw h THR 163 N 0.25 1.37 0.02 0.22 1.35 -1.49 -3.03 112.91 111.60 3dkw h THR 163 Ca -0.10 -1.95 -0.20 0.00 -0.55 0.00 0.00 66.41 63.60 3dkw h THR 163 Cb 1.66 1.96 -0.02 0.00 -1.73 0.00 0.00 68.15 70.02 3dkw h THR 163 CO 0.18 0.59 -0.94 0.25 -0.25 0.00 0.00 175.52 175.35 3dkw h LEU 164 N 0.25 0.17 -6.91 3.87 5.85 -1.46 -3.41 115.31 113.67 3dkw h LEU 164 Ca -0.01 -0.16 -0.58 0.00 0.84 0.00 0.00 57.88 57.98 3dkw h LEU 164 Cb 1.13 -0.05 -0.40 0.00 0.37 0.00 0.00 40.66 41.71 3dkw h LEU 164 CO 0.10 1.02 -0.78 0.00 -0.34 0.00 0.00 178.44 178.44 3dkw s ALA 165 N -3.02 1.34 0.00 1.25 0.00 -0.74 -4.67 121.76 115.93 3dkw s ALA 165 Ca -0.02 -1.80 0.00 0.00 0.00 0.00 0.00 51.96 50.14 3dkw s ALA 165 Cb 0.10 -1.63 0.00 0.00 0.00 0.00 0.00 23.12 21.59 3dkw s ALA 165 CO 0.83 -1.86 0.00 0.00 0.00 0.00 0.00 175.76 174.73 3dkw n ALA 166 N 4.45 0.00 -1.97 0.00 0.00 -1.15 -4.41 120.51 117.43 3dkw n ALA 166 Ca 0.03 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.16 3dkw n ALA 166 Cb 0.39 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.78 3dkw n ALA 166 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 3dkw n HIS 167 N 0.00 2.74 -4.44 0.00 -0.00 -1.26 -4.92 115.22 107.33 3dkw n HIS 167 Ca 0.00 -1.60 -0.22 0.00 -0.00 0.00 0.00 57.72 55.90 3dkw n HIS 167 Cb 0.00 -2.50 -0.10 0.00 -0.00 0.00 0.00 29.99 27.39 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 9.80 2.37 -0.60 1.57 0.00 -1.26 -5.05 121.76 128.59 3dkw s ALA 168 Ca 0.66 -1.82 -0.02 0.00 0.00 0.00 0.00 51.96 50.77 3dkw s ALA 168 Cb 0.02 0.76 0.32 0.00 0.00 0.00 0.00 23.12 24.22 3dkw s ALA 168 CO 0.13 -0.35 2.14 -0.35 0.00 0.00 0.00 175.76 177.33 3dkw n PRO 169 N -0.70 2.46 0.00 0.00 -0.04 -1.26 -4.78 135.00 130.69 3dkw n PRO 169 Ca -0.03 -2.82 0.00 0.00 -0.04 0.00 0.00 63.50 60.61 3dkw n PRO 169 Cb 0.66 -2.11 0.00 0.00 -0.04 0.00 0.00 33.50 32.01 3dkw n PRO 169 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3dkw n GLY 170 N -0.30 0.08 3.59 0.55 0.00 -1.26 -5.15 105.19 102.70 3dkw n GLY 170 Ca 0.52 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.44 3dkw n GLY 170 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3dkw s GLU 171 N 1.53 0.54 0.06 1.61 2.02 -1.22 -5.01 118.70 118.23 3dkw s GLU 171 Ca 0.00 0.20 -0.17 0.00 0.02 0.00 0.00 54.97 55.03 3dkw s GLU 171 Cb 0.00 0.25 -0.14 0.00 0.10 0.00 0.00 34.13 34.34 3dkw s GLU 171 CO 0.00 -0.15 1.30 -2.95 0.02 0.00 0.00 175.26 173.48 3dkw h ASN 172 N 2.79 0.65 1.39 -0.19 -1.07 -1.98 -3.25 115.58 113.93 3dkw h ASN 172 Ca -0.19 -0.57 -0.06 0.00 0.07 0.00 0.00 56.30 55.55 3dkw h ASN 172 Cb 1.17 -0.19 -0.01 0.00 -2.07 0.00 0.00 38.32 37.22 3dkw h ASN 172 CO 0.27 1.11 -0.63 0.00 0.07 0.00 0.00 177.43 178.25 3dkw s ARG 174 N -3.13 2.28 0.02 0.00 3.52 -1.22 -4.25 118.95 116.15 3dkw s ARG 174 Ca 0.03 -1.81 -0.22 0.00 -0.13 0.00 0.00 55.73 53.59 3dkw s ARG 174 Cb 0.07 -3.78 -0.05 0.00 -1.56 0.00 0.00 34.95 29.63 3dkw s ARG 174 CO 0.74 -1.14 0.67 0.08 -0.81 0.00 0.00 175.30 174.84 3dkw s VAL 175 N 1.23 4.84 0.51 7.11 1.01 -1.24 -3.45 120.40 130.41 3dkw s VAL 175 Ca 0.07 1.40 -0.19 0.00 0.00 0.00 0.00 61.98 63.26 3dkw s VAL 175 Cb -0.25 -4.01 -0.07 0.00 0.00 0.00 0.00 36.38 32.06 3dkw s VAL 175 CO -0.02 0.39 1.05 -1.61 0.00 0.00 0.00 175.10 174.91 3dkw s GLU 176 N -0.12 3.65 0.11 2.72 2.02 -1.26 -4.77 118.70 121.04 3dkw s GLU 176 Ca 0.34 1.36 0.00 0.00 0.02 0.00 0.00 54.97 56.69 3dkw s GLU 176 Cb -0.19 -2.07 0.00 0.00 0.10 0.00 0.00 34.13 31.97 3dkw s GLU 176 CO 0.20 -0.56 0.00 -0.89 0.02 0.00 0.00 175.26 174.02 3dkw n ILE 177 N -1.22 -8.72 -1.54 -1.63 5.41 -1.26 -4.94 119.36 105.47 3dkw n ILE 177 Ca 0.09 1.98 -0.33 0.00 1.00 0.00 0.00 62.75 65.49 3dkw n ILE 177 Cb 0.52 -4.14 0.07 0.00 -0.71 0.00 0.00 39.64 35.38 3dkw n ILE 177 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 3dkw s PRO 178 N -1.60 2.44 -0.02 0.38 0.04 -1.26 -4.98 135.00 130.00 3dkw s PRO 178 Ca 0.00 1.46 0.01 0.00 0.04 0.00 0.00 61.00 62.51 3dkw s PRO 178 Cb 0.00 -1.90 0.01 0.00 0.04 0.00 0.00 34.50 32.65 3dkw s PRO 178 CO 0.00 -1.55 -0.04 0.08 0.04 0.00 0.00 177.00 175.54 3dkw s VAL 179 N -2.35 0.35 0.04 -0.36 1.01 -1.26 -5.11 120.40 112.72 3dkw s VAL 179 Ca 0.68 -0.12 0.00 0.00 0.00 0.00 0.00 61.98 62.54 3dkw s VAL 179 Cb -0.22 -0.34 0.00 0.00 0.00 0.00 0.00 36.38 35.82 3dkw s VAL 179 CO 0.45 0.13 0.04 0.00 0.00 0.00 0.00 175.10 175.72 3dkw n ALA 180 N 3.40 0.07 0.48 5.51 0.00 -1.26 -4.48 120.51 124.23 3dkw n ALA 180 Ca -0.18 -0.18 0.11 0.00 0.00 0.00 0.00 53.44 53.19 3dkw n ALA 180 Cb 0.55 0.07 -0.03 0.00 0.00 0.00 0.00 19.45 20.05 3dkw n ALA 180 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3dkw n LYS 181 N -0.66 0.34 -0.02 0.00 5.02 -1.26 -4.22 118.16 117.36 3dkw n LYS 181 Ca -0.00 -0.03 0.04 0.00 -2.02 0.00 0.00 58.31 56.30 3dkw n LYS 181 Cb 0.05 -1.59 -0.10 0.00 -0.02 0.00 0.00 35.03 33.37 3dkw n LYS 181 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 3dkw n GLN 182 N -2.01 0.71 0.11 1.97 6.02 -1.26 -4.28 117.38 118.64 3dkw n GLN 182 Ca 0.01 -0.10 -0.13 0.00 -0.01 0.00 0.00 57.00 56.77 3dkw n GLN 182 Cb 0.46 -1.31 -0.08 0.00 1.02 0.00 0.00 30.24 30.32 3dkw n GLN 182 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 3dkw h LEU 183 N 0.00 -0.25 -1.39 1.08 3.38 -1.98 -3.19 115.31 112.96 3dkw h LEU 183 Ca -0.07 -0.25 -0.06 0.00 0.09 0.00 0.00 57.88 57.59 3dkw h LEU 183 Cb 0.83 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.64 3dkw h LEU 183 CO 0.00 0.16 -0.31 0.58 0.09 0.00 0.00 178.44 178.97 3dkw h VAL 184 N -0.70 1.14 -0.24 1.22 2.07 -1.83 -2.51 116.25 115.40 3dkw h VAL 184 Ca -0.03 -1.07 0.07 0.00 0.82 0.00 0.00 66.70 66.49 3dkw h VAL 184 Cb 0.49 1.59 -0.01 0.00 -1.52 0.00 0.00 31.29 31.84 3dkw h VAL 184 CO 0.05 0.30 0.22 0.00 0.02 0.00 0.00 177.57 178.15 3dkw h ALA 185 N 1.69 2.02 0.00 1.67 0.00 -1.73 0.46 119.26 123.38 3dkw h ALA 185 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3dkw h ALA 185 Cb 0.57 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3dkw h ALA 185 CO 0.04 -0.34 -1.14 0.41 0.00 0.00 0.00 179.25 178.22 3dkw n GLY 186 N -1.49 -1.22 0.11 0.00 0.00 -0.95 -2.19 105.19 99.45 3dkw n GLY 186 Ca 0.03 -0.39 -0.01 0.00 0.00 0.00 0.00 46.02 45.65 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 0.00 -0.00 1.61 3.86 -0.84 -3.32 115.15 116.46 3dkw h HIS 187 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3dkw h HIS 187 Cb 0.80 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.27 3dkw h HIS 187 CO 0.00 0.68 -0.09 1.28 0.86 0.00 0.00 177.93 180.66 3dkw n LEU 188 N -3.29 0.73 -3.48 2.43 4.77 -0.87 -5.03 117.00 112.26 3dkw n LEU 188 Ca 0.01 -0.74 -0.18 0.00 -0.03 0.00 0.00 56.01 55.07 3dkw n LEU 188 Cb 0.80 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.96 3dkw n LEU 188 CO 0.43 0.16 0.05 -1.54 -1.33 0.00 0.00 177.39 175.16 3dkw n SER 189 N -0.46 -2.49 -4.44 -1.43 3.41 -0.93 -5.02 113.62 102.26 3dkw n SER 189 Ca 0.02 -0.69 -0.22 0.00 -0.26 0.00 0.00 58.87 57.72 3dkw n SER 189 Cb 0.08 -4.84 -0.10 0.00 -0.26 0.00 0.00 64.21 59.08 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 -3.44 1.81 0.37 -1.33 1.01 -0.94 -5.04 121.20 113.64 3dkw s ILE 190 Ca 0.07 -2.17 -0.28 0.00 0.00 0.00 0.00 60.65 58.27 3dkw s ILE 190 Cb -0.01 -2.41 -0.11 0.00 0.01 0.00 0.00 42.46 39.94 3dkw s ILE 190 CO 0.75 -0.33 1.49 0.00 0.00 0.00 0.00 174.94 176.85 3dkw n GLN 191 N -0.59 2.66 0.27 2.79 6.02 -1.26 -4.76 117.38 122.51 3dkw n GLN 191 Ca -0.06 0.93 0.16 0.00 -0.01 0.00 0.00 57.00 58.03 3dkw n GLN 191 Cb 0.63 -2.66 0.69 0.00 1.02 0.00 0.00 30.24 29.91 3dkw n GLN 191 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 3dkw h PRO 192 N 2.98 0.00 0.00 -1.09 0.13 -1.92 -2.80 132.00 129.30 3dkw h PRO 192 Ca -0.51 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.46 3dkw h PRO 192 Cb 1.24 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.35 3dkw h PRO 192 CO 0.64 0.05 -0.80 0.93 -0.23 0.00 0.00 178.00 178.59 3dkw h GLU 193 N 0.00 0.00 0.00 0.86 5.08 -1.94 -3.30 114.58 115.29 3dkw h GLU 193 Ca -0.00 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.14 3dkw h GLU 193 Cb 0.50 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.72 3dkw h GLU 193 CO 0.01 0.73 -1.06 1.79 -1.00 0.00 0.00 179.01 179.48 3dkw h THR 194 N 0.00 1.64 -0.80 1.13 1.35 -1.88 -3.29 112.91 111.06 3dkw h THR 194 Ca -0.02 -3.36 0.00 0.00 -0.55 0.00 0.00 66.41 62.48 3dkw h THR 194 Cb 1.59 2.81 -0.04 0.00 -1.73 0.00 0.00 68.15 70.78 3dkw h THR 194 CO 0.10 0.93 0.50 0.15 -0.25 0.00 0.00 175.52 176.95 3dkw h PHE 195 N 0.00 1.04 0.00 4.73 3.57 -1.60 -1.05 116.94 123.63 3dkw h PHE 195 Ca -0.03 0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.40 3dkw h PHE 195 Cb 1.79 -0.34 -0.01 0.00 2.79 0.00 0.00 35.95 40.17 3dkw h PHE 195 CO 0.00 0.68 -0.36 0.77 -2.23 0.00 0.00 178.31 177.17 3dkw h SER 196 N 1.09 0.00 0.10 0.41 0.02 -1.67 -2.73 113.55 110.77 3dkw h SER 196 Ca 0.29 0.00 -0.30 0.00 -0.84 0.00 0.00 61.79 60.94 3dkw h SER 196 Cb -0.08 0.00 0.03 0.00 0.14 0.00 0.00 62.40 62.49 3dkw h SER 196 CO -0.06 0.36 -1.22 0.03 -1.14 0.00 0.00 176.83 174.80 3dkw h ARG 197 N 0.00 0.65 -0.52 3.45 3.08 -1.45 -3.09 114.38 116.50 3dkw h ARG 197 Ca -0.00 -0.83 -0.06 0.00 0.07 0.00 0.00 59.98 59.15 3dkw h ARG 197 Cb 0.82 0.27 -0.02 0.00 0.08 0.00 0.00 29.97 31.12 3dkw h ARG 197 CO 0.05 1.38 0.09 0.82 -1.07 0.00 0.00 179.97 181.24 3dkw h ILE 198 N 0.30 1.25 0.00 2.04 2.04 -1.15 -1.63 117.51 120.36 3dkw h ILE 198 Ca -0.18 -0.93 -0.02 0.00 1.00 0.00 0.00 64.86 64.73 3dkw h ILE 198 Cb 1.89 0.85 -0.00 0.00 -0.74 0.00 0.00 36.82 38.82 3dkw h ILE 198 CO 0.24 0.34 -0.09 0.24 0.00 0.00 0.00 178.15 178.87 3dkw h MET 199 N 0.74 0.00 0.22 2.37 2.86 -1.57 -2.19 114.93 117.36 3dkw h MET 199 Ca 0.16 0.00 -0.34 0.00 -2.06 0.00 0.00 59.70 57.46 3dkw h MET 199 Cb 0.39 0.00 0.03 0.00 0.06 0.00 0.00 31.60 32.08 3dkw h MET 199 CO 0.01 0.09 -1.56 1.25 1.06 0.00 0.00 176.91 177.76 3dkw h HIS 200 N 0.00 0.85 -0.20 -0.22 -0.00 -1.33 -2.98 115.15 111.26 3dkw h HIS 200 Ca -0.00 -0.62 -0.04 0.00 -0.00 0.00 0.00 60.37 59.71 3dkw h HIS 200 Cb 0.27 -0.03 -0.01 0.00 -0.00 0.00 0.00 27.41 27.64 3dkw h HIS 200 CO 0.00 1.60 -0.01 0.00 -0.00 0.00 0.00 177.93 179.52 3dkw h ARG 201 N 0.09 0.37 0.00 5.26 3.08 -1.05 -2.88 114.38 119.25 3dkw h ARG 201 Ca -0.29 -0.13 -0.06 0.00 0.07 0.00 0.00 59.98 59.57 3dkw h ARG 201 Cb 2.11 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 32.12 3dkw h ARG 201 CO 0.23 0.59 -0.28 -0.07 -1.07 0.00 0.00 179.97 179.36 3dkw h LEU 202 N 0.12 0.00 -0.29 3.04 3.38 -1.55 -2.39 115.31 117.61 3dkw h LEU 202 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3dkw h LEU 202 Cb 0.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.18 3dkw h LEU 202 CO 0.01 0.28 0.00 0.61 0.09 0.00 0.00 178.44 179.43 3dkw n GLY 203 N -0.35 -1.49 0.12 0.83 0.00 -1.12 -2.45 105.19 100.74 3dkw n GLY 203 Ca -0.01 0.02 0.07 0.00 0.00 0.00 0.00 46.02 46.09 3dkw n GLY 203 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3dkw h ASP 204 N 0.00 0.00 1.13 1.61 3.32 -1.22 -3.34 116.42 117.92 3dkw h ASP 204 Ca 0.00 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.89 3dkw h ASP 204 Cb 0.55 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.07 3dkw h ASP 204 CO 0.00 0.25 -0.91 -0.33 -1.72 0.00 0.00 179.24 176.53 3dkw h GLU 205 N 0.00 0.00 0.00 3.56 5.08 -1.53 -3.48 114.58 118.22 3dkw h GLU 205 Ca -0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 3dkw h GLU 205 Cb 1.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 3dkw h GLU 205 CO 0.02 0.63 0.00 0.41 -1.00 0.00 0.00 179.01 179.07 3dkw n GLY 206 N 1.32 1.85 0.12 -3.84 0.00 -1.19 -5.05 105.19 98.40 3dkw n GLY 206 Ca -0.02 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.56 1.52 -2.22 -0.61 5.41 -1.02 -4.04 119.36 117.83 3dkw n ILE 207 Ca 0.00 -0.18 0.00 0.00 1.00 0.00 0.00 62.75 63.57 3dkw n ILE 207 Cb 0.00 -2.04 0.00 0.00 -0.71 0.00 0.00 39.64 36.89 3dkw n ILE 207 CO 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 176.55 176.17 3dkw n ILE 208 N -4.35 0.00 -0.02 1.39 5.41 -1.23 -2.49 119.36 118.08 3dkw n ILE 208 Ca -0.40 0.00 -0.02 0.00 1.00 0.00 0.00 62.75 63.33 3dkw n ILE 208 Cb 0.74 -0.36 -0.12 0.00 -0.71 0.00 0.00 39.64 39.19 3dkw n ILE 208 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 176.55 178.12 3dkw n HIS 209 N 0.00 0.58 -0.73 1.39 -0.00 -1.25 -4.67 115.22 110.54 3dkw n HIS 209 Ca 0.00 0.20 0.00 0.00 -0.00 0.00 0.00 57.72 57.92 3dkw n HIS 209 Cb 0.00 -0.99 0.00 0.00 -0.00 0.00 0.00 29.99 29.00 3dkw n HIS 209 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.34 176.23 3dkw n LEU 210 N -2.78 0.00 -4.46 0.27 0.00 -1.25 -4.90 117.00 103.87 3dkw n LEU 210 Ca -0.16 0.00 -0.26 0.00 0.00 0.00 0.00 56.01 55.59 3dkw n LEU 210 Cb 0.91 -0.25 -0.11 0.00 0.00 0.00 0.00 43.42 43.97 3dkw n LEU 210 CO 0.44 0.00 -0.50 -1.81 0.00 0.00 0.00 177.39 175.52 3dkw s ASP 211 N -2.32 3.64 0.05 1.96 1.01 -1.26 -4.58 116.67 115.18 3dkw s ASP 211 Ca 0.00 -0.83 0.04 0.00 0.71 0.00 0.00 52.55 52.47 3dkw s ASP 211 Cb 0.00 -0.37 -0.24 0.00 1.01 0.00 0.00 42.92 43.32 3dkw s ASP 211 CO 0.00 0.10 1.03 1.23 0.21 0.00 0.00 175.17 177.74 3dkw h GLY 212 N 2.99 0.12 -4.76 0.21 0.00 -1.95 -3.46 103.07 96.22 3dkw h GLY 212 Ca -0.46 -0.30 -0.56 0.00 0.00 0.00 0.00 47.33 46.02 3dkw h GLY 212 CO 0.51 0.26 0.63 0.50 0.00 0.00 0.00 176.54 178.44 3dkw s ARG 213 N -2.66 4.39 0.18 4.80 1.81 -1.26 -4.70 118.95 121.51 3dkw s ARG 213 Ca -0.03 1.51 0.00 0.00 -1.72 0.00 0.00 55.73 55.48 3dkw s ARG 213 Cb 0.08 -3.55 0.00 0.00 -0.45 0.00 0.00 34.95 31.03 3dkw s ARG 213 CO 0.84 -0.38 0.00 0.39 -0.68 0.00 0.00 175.30 175.47 3dkw n GLU 214 N 5.12 -4.13 -3.27 3.54 1.02 -1.26 -4.90 120.64 116.76 3dkw n GLU 214 Ca 0.10 2.92 -0.39 0.00 -0.02 0.00 0.00 57.16 59.77 3dkw n GLU 214 Cb 0.48 -3.31 -0.07 0.00 -0.02 0.00 0.00 31.44 28.52 3dkw n GLU 214 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3dkw s ILE 215 N -0.65 5.13 -0.45 -3.67 1.01 -1.26 -4.93 121.20 116.37 3dkw s ILE 215 Ca 0.00 0.91 0.02 0.00 0.00 0.00 0.00 60.65 61.58 3dkw s ILE 215 Cb 0.00 -3.82 0.13 0.00 0.01 0.00 0.00 42.46 38.78 3dkw s ILE 215 CO 0.00 0.20 0.23 -0.94 0.00 0.00 0.00 174.94 174.43 3dkw s SER 216 N 1.12 3.87 0.04 3.58 1.04 -1.26 -3.60 113.70 118.49 3dkw s SER 216 Ca 0.23 -2.66 -0.30 0.00 0.48 0.00 0.00 55.95 53.70 3dkw s SER 216 Cb -0.15 -1.20 -0.05 0.00 0.10 0.00 0.00 66.02 64.72 3dkw s SER 216 CO 0.09 -0.27 1.14 -0.63 0.98 0.00 0.00 173.24 174.56 3dkw s ILE 217 N 0.27 4.25 -0.18 -1.02 1.01 -1.22 -3.80 121.20 120.50 3dkw s ILE 217 Ca 0.17 1.61 -0.00 0.00 0.00 0.00 0.00 60.65 62.43 3dkw s ILE 217 Cb -0.24 -4.03 -0.22 0.00 0.01 0.00 0.00 42.46 37.97 3dkw s ILE 217 CO -0.01 0.12 0.10 -0.11 0.00 0.00 0.00 174.94 175.04 3dkw n LEU 218 N 3.97 2.54 -4.00 2.97 7.94 -1.04 -3.55 117.00 125.82 3dkw n LEU 218 Ca 0.08 0.05 -0.31 0.00 -1.11 0.00 0.00 56.01 54.73 3dkw n LEU 218 Cb 0.47 -0.86 -0.16 0.00 0.53 0.00 0.00 43.42 43.41 3dkw n LEU 218 CO 0.55 0.85 -0.45 -1.81 -1.11 0.00 0.00 177.39 175.41 3dkw s ASP 219 N -6.66 3.87 0.12 1.96 1.01 -1.25 -4.97 116.67 110.75 3dkw s ASP 219 Ca -0.26 -1.14 0.16 0.00 0.71 0.00 0.00 52.55 52.02 3dkw s ASP 219 Cb 0.08 -1.32 -0.09 0.00 1.01 0.00 0.00 42.92 42.60 3dkw s ASP 219 CO 0.70 -0.19 0.98 0.03 0.21 0.00 0.00 175.17 176.91 3dkw h ARG 220 N 7.90 0.00 0.00 8.23 3.08 -1.89 -3.33 114.38 128.37 3dkw h ARG 220 Ca -0.22 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 59.70 3dkw h ARG 220 Cb 1.07 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.10 3dkw h ARG 220 CO 0.45 0.35 -0.62 0.93 -1.07 0.00 0.00 179.97 180.02 3dkw h GLU 221 N 0.00 0.00 0.00 0.04 5.08 -2.00 -2.86 114.58 114.84 3dkw h GLU 221 Ca -0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 3dkw h GLU 221 Cb 1.53 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.78 3dkw h GLU 221 CO 0.05 0.62 0.00 0.00 -1.00 0.00 0.00 179.01 178.68 3dkw h ARG 222 N 0.00 0.00 0.18 2.33 3.08 -1.98 -3.20 114.38 114.79 3dkw h ARG 222 Ca -0.01 0.00 -0.31 0.00 0.07 0.00 0.00 59.98 59.73 3dkw h ARG 222 Cb 1.11 0.00 0.03 0.00 0.08 0.00 0.00 29.97 31.19 3dkw h ARG 222 CO 0.08 0.00 -1.35 -0.07 -1.07 0.00 0.00 179.97 177.56 3dkw h LEU 223 N 0.00 0.76 -1.74 3.04 3.38 -1.62 -3.16 115.31 115.98 3dkw h LEU 223 Ca 0.00 -0.77 -0.02 0.00 0.09 0.00 0.00 57.88 57.18 3dkw h LEU 223 Cb 0.64 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.14 3dkw h LEU 223 CO 0.00 1.59 -0.09 -0.08 0.09 0.00 0.00 178.44 179.95 3dkw h GLU 224 N 0.18 0.00 0.00 1.13 4.81 -1.57 -3.17 114.58 115.96 3dkw h GLU 224 Ca -0.21 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 58.94 3dkw h GLU 224 Cb 2.04 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 31.40 3dkw h GLU 224 CO 0.25 0.09 -0.47 0.00 -0.73 0.00 0.00 179.01 178.15 3dkw n PHE 226 N -4.55 -0.69 1.46 0.00 -1.74 -1.19 -5.16 117.46 105.58 3dkw n PHE 226 Ca -0.18 0.00 0.12 0.00 -0.56 0.00 0.00 57.45 56.83 3dkw n PHE 226 Cb 0.54 0.00 0.69 0.00 1.52 0.00 0.00 39.48 42.23 3dkw n PHE 226 CO 0.00 0.00 0.00 0.39 -0.56 0.00 0.00 176.76 176.59