#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dkw n GLU 2 N 0.00 -1.18 -0.03 0.03 1.02 -1.26 -4.91 120.64 114.31 3dkw n GLU 2 Ca 0.00 0.89 -0.06 0.00 -0.02 0.00 0.00 57.16 57.97 3dkw n GLU 2 Cb 0.00 -1.40 -0.02 0.00 -0.02 0.00 0.00 31.44 29.99 3dkw n GLU 2 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 3dkw n PHE 3 N -3.15 0.00 -1.14 -0.32 3.72 -1.26 -5.10 117.46 110.21 3dkw n PHE 3 Ca -0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 3dkw n PHE 3 Cb 0.25 -0.23 0.00 0.00 -0.94 0.00 0.00 39.48 38.56 3dkw n PHE 3 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 3dkw n GLN 4 N -3.16 -2.56 0.00 -1.08 6.02 -1.26 -5.05 117.38 110.28 3dkw n GLN 4 Ca -0.12 2.03 0.00 0.00 -0.01 0.00 0.00 57.00 58.89 3dkw n GLN 4 Cb 0.59 -1.97 0.00 0.00 1.02 0.00 0.00 30.24 29.89 3dkw n GLN 4 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3dkw n ARG 5 N 0.67 0.00 -0.00 -1.09 1.74 -1.26 -4.93 116.66 111.78 3dkw n ARG 5 Ca 0.00 0.00 0.03 0.00 -0.77 0.00 0.00 57.85 57.11 3dkw n ARG 5 Cb 0.00 0.00 -0.04 0.00 -1.02 0.00 0.00 32.46 31.40 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 -0.51 0.00 0.78 1.55 0.31 -1.26 -4.55 118.33 114.65 3dkw n VAL 6 Ca 0.00 -0.16 0.09 0.00 -0.01 0.00 0.00 64.34 64.26 3dkw n VAL 6 Cb 0.00 0.45 0.45 0.00 -0.91 0.00 0.00 33.84 33.83 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 -1.62 0.00 0.22 3.52 8.25 -1.26 -2.55 115.22 121.77 3dkw n HIS 7 Ca -0.01 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.57 3dkw n HIS 7 Cb 0.14 -0.40 0.13 0.00 1.12 0.00 0.00 29.99 30.98 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 0.00 0.00 0.01 -0.41 4.20 -1.95 -3.33 115.11 113.63 3dkw h GLN 8 Ca 0.00 0.00 -0.25 0.00 0.06 0.00 0.00 58.65 58.46 3dkw h GLN 8 Cb 0.27 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.06 3dkw h GLN 8 CO 0.00 0.00 -1.01 1.96 -0.67 0.00 0.00 178.83 179.11 3dkw h GLN 9 N 0.00 0.51 -0.44 1.46 4.20 -1.80 -2.86 115.11 116.17 3dkw h GLN 9 Ca 0.00 -0.57 -0.08 0.00 0.06 0.00 0.00 58.65 58.06 3dkw h GLN 9 Cb 0.98 0.17 -0.02 0.00 0.30 0.00 0.00 27.48 28.91 3dkw h GLN 9 CO 0.00 1.20 -0.07 -0.07 -0.67 0.00 0.00 178.83 179.22 3dkw h LEU 10 N 0.28 0.75 -0.47 1.46 3.38 -1.71 -2.75 115.31 116.25 3dkw h LEU 10 Ca -0.10 -0.21 -0.13 0.00 0.09 0.00 0.00 57.88 57.53 3dkw h LEU 10 Cb 1.65 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 42.18 3dkw h LEU 10 CO 0.18 0.86 -0.60 -0.07 0.09 0.00 0.00 178.44 178.90 3dkw h LEU 11 N 0.70 0.00 -0.86 1.67 3.38 -1.68 -3.14 115.31 115.39 3dkw h LEU 11 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 3dkw h LEU 11 Cb 0.54 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.29 3dkw h LEU 11 CO 0.03 0.60 0.00 1.67 0.09 0.00 0.00 178.44 180.83 3dkw n GLN 12 N -3.48 0.10 -0.01 1.13 -0.06 -1.04 -0.94 117.38 113.09 3dkw n GLN 12 Ca 0.00 0.56 0.00 0.00 -2.00 0.00 0.00 57.00 55.56 3dkw n GLN 12 Cb 0.68 -1.79 -0.12 0.00 -4.06 0.00 0.00 30.24 24.95 3dkw n GLN 12 CO 0.00 0.00 0.00 -1.13 -0.20 0.00 0.00 177.06 175.73 3dkw n SER 13 N -1.99 0.44 -4.79 1.69 3.41 -1.19 -4.48 113.62 106.71 3dkw n SER 13 Ca -0.00 0.19 -0.34 0.00 -0.26 0.00 0.00 58.87 58.46 3dkw n SER 13 Cb 0.05 0.81 -0.03 0.00 -0.26 0.00 0.00 64.21 64.79 3dkw n SER 13 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 3dkw s HIS 14 N -2.97 2.95 0.38 7.33 5.65 -0.11 -4.94 115.29 123.58 3dkw s HIS 14 Ca -0.06 1.57 0.18 0.00 0.25 0.00 0.00 55.06 57.00 3dkw s HIS 14 Cb 0.09 -3.10 1.00 0.00 -1.18 0.00 0.00 32.58 29.40 3dkw s HIS 14 CO 0.84 -0.95 1.93 1.12 -0.65 0.00 0.00 174.74 177.03 3dkw h HIS 15 N 1.49 0.00 -0.00 3.88 2.07 -1.92 -2.51 115.15 118.16 3dkw h HIS 15 Ca -0.50 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.02 3dkw h HIS 15 Cb 1.23 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.21 3dkw h HIS 15 CO 0.56 0.25 -0.14 1.28 -3.07 0.00 0.00 177.93 176.81 3dkw n LEU 16 N -3.96 0.21 0.00 6.12 4.77 -1.26 -3.78 117.00 119.10 3dkw n LEU 16 Ca -0.02 0.27 0.00 0.00 -0.03 0.00 0.00 56.01 56.23 3dkw n LEU 16 Cb 0.32 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 3dkw n LEU 16 CO 0.35 0.05 0.24 0.49 -1.33 0.00 0.00 177.39 177.19 3dkw n PHE 17 N -1.38 0.00 -0.03 -1.77 3.01 -1.02 -4.65 117.46 111.62 3dkw n PHE 17 Ca 0.09 -0.03 -0.16 0.00 1.01 0.00 0.00 57.45 58.36 3dkw n PHE 17 Cb 0.32 -0.00 -0.09 0.00 -0.01 0.00 0.00 39.48 39.70 3dkw n PHE 17 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 3dkw h GLU 18 N 0.00 0.46 0.00 -1.08 5.08 -1.55 -3.21 114.58 114.28 3dkw h GLU 18 Ca 0.00 -0.37 -0.06 0.00 -1.00 0.00 0.00 59.36 57.93 3dkw h GLU 18 Cb 0.09 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 3dkw h GLU 18 CO 0.00 1.00 -0.30 -1.35 -1.00 0.00 0.00 179.01 177.36 3dkw h PRO 19 N 0.03 0.00 -6.57 2.33 0.11 -1.84 -3.44 132.00 122.61 3dkw h PRO 19 Ca -0.03 0.00 -0.52 0.00 0.11 0.00 0.00 66.00 65.56 3dkw h PRO 19 Cb 1.07 0.00 0.04 0.00 0.11 0.00 0.00 31.00 32.22 3dkw h PRO 19 CO 0.09 0.30 0.99 -0.51 -0.21 0.00 0.00 178.00 178.65 3dkw s LEU 20 N -7.19 4.38 0.48 2.35 1.43 -1.21 -4.99 118.68 113.93 3dkw s LEU 20 Ca -0.01 2.70 -0.18 0.00 -1.03 0.00 0.00 54.13 55.60 3dkw s LEU 20 Cb 0.12 -3.58 -0.09 0.00 0.03 0.00 0.00 46.19 42.66 3dkw s LEU 20 CO 0.66 -0.92 0.98 -0.94 0.23 0.00 0.00 176.35 176.36 3dkw s SER 21 N 1.71 6.70 0.50 2.29 1.04 -1.26 -4.75 113.70 119.93 3dkw s SER 21 Ca 0.74 1.64 0.32 0.00 0.48 0.00 0.00 55.95 59.13 3dkw s SER 21 Cb -0.45 -2.52 1.43 0.00 0.10 0.00 0.00 66.02 64.58 3dkw s SER 21 CO 0.33 -0.53 1.78 -0.65 0.98 0.00 0.00 173.24 175.14 3dkw h PRO 22 N 1.30 0.11 -0.01 4.02 0.11 -1.97 0.74 132.00 136.30 3dkw h PRO 22 Ca -0.48 -0.01 -0.11 0.00 0.11 0.00 0.00 66.00 65.52 3dkw h PRO 22 Cb 1.19 -0.02 0.01 0.00 0.11 0.00 0.00 31.00 32.28 3dkw h PRO 22 CO 0.61 0.07 -0.41 0.28 -0.21 0.00 0.00 178.00 178.34 3dkw h VAL 23 N 0.11 1.48 0.00 3.15 2.07 -2.00 -3.05 116.25 118.00 3dkw h VAL 23 Ca 0.60 -1.97 -0.12 0.00 0.82 0.00 0.00 66.70 66.04 3dkw h VAL 23 Cb 2.14 2.63 -0.02 0.00 -1.52 0.00 0.00 31.29 34.52 3dkw h VAL 23 CO -0.11 0.56 -0.56 1.56 0.02 0.00 0.00 177.57 179.04 3dkw h GLN 24 N -0.28 0.00 -0.60 1.57 4.20 -1.32 -2.98 115.11 115.70 3dkw h GLN 24 Ca -0.05 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.56 3dkw h GLN 24 Cb 1.13 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.89 3dkw h GLN 24 CO 0.08 0.56 -0.01 1.25 -0.67 0.00 0.00 178.83 180.04 3dkw h LEU 25 N 0.00 1.04 -0.55 1.46 5.85 0.32 -2.55 115.31 120.89 3dkw h LEU 25 Ca -0.01 -0.30 -0.09 0.00 0.84 0.00 0.00 57.88 58.32 3dkw h LEU 25 Cb 1.21 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.94 3dkw h LEU 25 CO 0.07 1.10 -0.44 -0.61 -0.34 0.00 0.00 178.44 178.22 3dkw h GLN 26 N 0.97 0.00 -0.27 1.25 4.15 -1.53 -2.87 115.11 116.81 3dkw h GLN 26 Ca 0.17 0.00 -0.14 0.00 0.77 0.00 0.00 58.65 59.45 3dkw h GLN 26 Cb 0.57 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.26 3dkw h GLN 26 CO 0.03 0.44 -0.41 1.49 -1.93 0.00 0.00 178.83 178.45 3dkw h GLU 27 N 0.00 0.65 0.01 1.69 4.81 -1.33 -1.76 114.58 118.64 3dkw h GLU 27 Ca -0.00 -0.34 -0.20 0.00 -0.13 0.00 0.00 59.36 58.69 3dkw h GLU 27 Cb 1.11 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.49 3dkw h GLU 27 CO 0.06 0.94 -0.90 1.25 -0.73 0.00 0.00 179.01 179.63 3dkw h LEU 28 N 0.53 0.27 -0.00 1.64 5.85 -1.44 -3.13 115.31 119.02 3dkw h LEU 28 Ca 0.04 -0.22 0.00 0.00 0.84 0.00 0.00 57.88 58.54 3dkw h LEU 28 Cb 0.94 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.88 3dkw h LEU 28 CO 0.08 1.03 0.00 0.18 -0.34 0.00 0.00 178.44 179.40 3dkw n LEU 29 N -3.65 0.59 0.19 2.25 4.77 -1.09 -3.36 117.00 116.71 3dkw n LEU 29 Ca -0.04 0.56 0.03 0.00 -0.03 0.00 0.00 56.01 56.53 3dkw n LEU 29 Cb 0.82 -0.37 0.37 0.00 -2.33 0.00 0.00 43.42 41.91 3dkw n LEU 29 CO 0.48 -0.13 0.73 0.00 -1.33 0.00 0.00 177.39 177.14 3dkw h ALA 30 N 2.65 1.35 -0.32 -1.18 0.00 -1.26 -2.66 119.26 117.84 3dkw h ALA 30 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.58 3dkw h ALA 30 Cb 0.67 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.40 3dkw h ALA 30 CO 0.00 0.46 0.00 0.45 0.00 0.00 0.00 179.25 180.16 3dkw n SER 31 N -4.04 3.04 -4.78 0.00 2.88 -1.21 -4.30 113.62 105.21 3dkw n SER 31 Ca -0.02 -1.89 -0.37 0.00 -1.33 0.00 0.00 58.87 55.26 3dkw n SER 31 Cb 0.41 -0.21 -0.06 0.00 -0.75 0.00 0.00 64.21 63.60 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 -1.20 7.21 -0.07 -3.46 1.04 -1.01 -4.71 113.70 111.51 3dkw s SER 32 Ca 0.30 1.94 0.02 0.00 0.48 0.00 0.00 55.95 58.69 3dkw s SER 32 Cb 0.17 -2.59 0.01 0.00 0.10 0.00 0.00 66.02 63.72 3dkw s SER 32 CO 0.24 -0.16 -0.12 -1.81 0.98 0.00 0.00 173.24 172.37 3dkw s ASP 33 N -1.50 1.81 -0.01 7.02 1.01 -0.28 -4.68 116.67 120.04 3dkw s ASP 33 Ca 0.51 -0.30 -0.27 0.00 0.71 0.00 0.00 52.55 53.20 3dkw s ASP 33 Cb -0.21 -0.83 -0.04 0.00 1.01 0.00 0.00 42.92 42.85 3dkw s ASP 33 CO 0.27 0.02 0.85 -0.22 0.21 0.00 0.00 175.17 176.30 3dkw s LEU 34 N 0.73 4.38 -0.20 1.23 2.96 -1.26 -0.47 118.68 126.04 3dkw s LEU 34 Ca -0.13 1.47 0.01 0.00 -0.22 0.00 0.00 54.13 55.27 3dkw s LEU 34 Cb -0.16 -3.35 0.04 0.00 0.50 0.00 0.00 46.19 43.22 3dkw s LEU 34 CO 0.03 -0.15 -0.15 0.54 -1.32 0.00 0.00 176.35 175.30 3dkw s VAL 35 N 0.68 1.96 -0.26 1.68 0.11 -0.15 -4.97 120.40 119.45 3dkw s VAL 35 Ca 0.44 -1.11 -0.13 0.00 -2.93 0.00 0.00 61.98 58.26 3dkw s VAL 35 Cb -0.20 -1.91 -0.04 0.00 -1.53 0.00 0.00 36.38 32.70 3dkw s VAL 35 CO 0.24 0.31 0.27 0.20 -3.33 0.00 0.00 175.10 172.79 3dkw s ASN 36 N 1.28 6.16 0.26 3.54 -0.87 -1.26 -2.30 114.94 121.76 3dkw s ASN 36 Ca 0.00 0.17 0.08 0.00 -1.57 0.00 0.00 52.86 51.54 3dkw s ASN 36 Cb -0.15 -2.16 -0.05 0.00 -0.02 0.00 0.00 41.25 38.86 3dkw s ASN 36 CO -0.10 -0.08 -0.11 -0.76 -2.57 0.00 0.00 177.10 173.48 3dkw s LEU 37 N 1.73 2.55 0.00 0.60 1.43 -0.97 -5.05 118.68 118.96 3dkw s LEU 37 Ca 0.11 -1.11 0.00 0.00 -1.03 0.00 0.00 54.13 52.10 3dkw s LEU 37 Cb -0.15 -0.76 0.00 0.00 0.03 0.00 0.00 46.19 45.30 3dkw s LEU 37 CO 0.09 -0.21 0.00 0.47 0.23 0.00 0.00 176.35 176.93 3dkw n ASP 38 N -0.55 1.00 -4.74 2.29 9.92 -1.26 -2.40 116.55 120.81 3dkw n ASP 38 Ca -0.06 0.00 -0.41 0.00 -0.53 0.00 0.00 54.79 53.79 3dkw n ASP 38 Cb 0.62 0.00 -0.04 0.00 -0.64 0.00 0.00 41.12 41.06 3dkw n ASP 38 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 3dkw s LYS 39 N 1.98 4.63 0.00 -1.24 2.20 -1.26 -3.28 119.74 122.77 3dkw s LYS 39 Ca 0.00 1.64 0.00 0.00 -0.36 0.00 0.00 55.97 57.25 3dkw s LYS 39 Cb 0.00 -3.31 0.00 0.00 -1.51 0.00 0.00 37.83 33.01 3dkw s LYS 39 CO 0.00 0.12 0.00 0.41 -0.36 0.00 0.00 175.35 175.52 3dkw n GLY 40 N 2.12 0.42 3.57 5.54 0.00 -1.12 -5.03 105.19 110.69 3dkw n GLY 40 Ca 0.03 -0.78 -0.38 0.00 0.00 0.00 0.00 46.02 44.89 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 -2.00 3.47 0.01 4.61 0.00 -1.21 -4.98 121.76 121.67 3dkw s ALA 41 Ca 0.00 -1.08 -0.30 0.00 0.00 0.00 0.00 51.96 50.58 3dkw s ALA 41 Cb 0.00 -2.40 -0.03 0.00 0.00 0.00 0.00 23.12 20.69 3dkw s ALA 41 CO 0.00 -0.51 1.01 0.71 0.00 0.00 0.00 175.76 176.97 3dkw s TYR 42 N 1.67 3.63 -0.06 0.00 1.51 -1.26 -2.14 117.35 120.71 3dkw s TYR 42 Ca 0.07 1.65 -0.23 0.00 -1.01 0.00 0.00 57.07 57.55 3dkw s TYR 42 Cb -0.16 -3.16 -0.18 0.00 -0.11 0.00 0.00 41.96 38.35 3dkw s TYR 42 CO 0.09 -0.18 0.92 0.28 -1.11 0.00 0.00 175.55 175.55 3dkw h VAL 43 N 4.73 1.09 -2.45 0.71 2.07 -1.36 -3.47 116.25 117.57 3dkw h VAL 43 Ca -0.41 -1.32 -0.07 0.00 0.82 0.00 0.00 66.70 65.72 3dkw h VAL 43 Cb 1.22 1.86 -0.25 0.00 -1.52 0.00 0.00 31.29 32.60 3dkw h VAL 43 CO 0.76 0.29 -0.20 0.72 0.02 0.00 0.00 177.57 179.15 3dkw s PHE 44 N -3.37 -0.75 0.48 1.57 -0.71 -1.23 -5.01 117.98 108.96 3dkw s PHE 44 Ca -0.14 1.55 -0.11 0.00 -1.04 0.00 0.00 56.93 57.18 3dkw s PHE 44 Cb 0.00 0.38 -0.06 0.00 -1.21 0.00 0.00 43.02 42.13 3dkw s PHE 44 CO 0.54 -0.40 0.87 1.03 -1.34 0.00 0.00 175.22 175.92 3dkw s ARG 45 N 1.49 3.76 -0.55 1.99 0.52 -1.26 -1.87 118.95 123.03 3dkw s ARG 45 Ca -0.10 0.60 -0.28 0.00 -0.52 0.00 0.00 55.73 55.43 3dkw s ARG 45 Cb -0.07 -2.28 0.01 0.00 0.52 0.00 0.00 34.95 33.13 3dkw s ARG 45 CO -0.15 -0.20 1.49 -1.14 0.02 0.00 0.00 175.30 175.32 3dkw s GLN 46 N -4.23 3.22 0.00 3.54 0.74 -1.16 -2.60 119.66 119.17 3dkw s GLN 46 Ca 0.53 0.54 0.00 0.00 0.05 0.00 0.00 55.36 56.48 3dkw s GLN 46 Cb -0.10 -4.16 0.00 0.00 1.10 0.00 0.00 33.01 29.85 3dkw s GLN 46 CO 0.37 -2.03 0.00 0.41 -0.55 0.00 0.00 175.29 173.49 3dkw n GLY 47 N 5.32 1.27 3.77 2.59 0.00 -0.98 -4.97 105.19 112.19 3dkw n GLY 47 Ca 0.14 0.00 -0.39 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 0.00 4.29 0.16 1.61 2.02 -1.07 -4.71 118.70 121.00 3dkw s GLU 48 Ca 0.00 1.90 -0.33 0.00 0.02 0.00 0.00 54.97 56.57 3dkw s GLU 48 Cb 0.00 -2.91 -0.12 0.00 0.10 0.00 0.00 34.13 31.20 3dkw s GLU 48 CO 0.00 -0.13 1.70 -2.30 0.02 0.00 0.00 175.26 174.55 3dkw n PRO 49 N 0.55 2.51 -2.53 0.39 -0.02 -1.26 -1.41 135.00 133.23 3dkw n PRO 49 Ca 0.02 0.91 -0.43 0.00 -2.02 0.00 0.00 63.50 61.98 3dkw n PRO 49 Cb 0.45 -2.74 -0.02 0.00 -0.02 0.00 0.00 33.50 31.17 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 1.55 3.53 0.00 3.55 0.00 -0.93 -4.80 121.76 124.65 3dkw s ALA 50 Ca 0.79 0.47 0.00 0.00 0.00 0.00 0.00 51.96 53.22 3dkw s ALA 50 Cb -0.58 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.02 3dkw s ALA 50 CO 0.36 -0.84 0.00 0.72 0.00 0.00 0.00 175.76 176.00 3dkw n HIS 51 N 5.57 0.00 -3.72 0.00 8.25 -1.26 -4.86 115.22 119.20 3dkw n HIS 51 Ca 0.11 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.43 3dkw n HIS 51 Cb 0.47 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.49 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 -0.99 0.16 -1.41 0.00 -1.26 -1.16 121.76 117.10 3dkw s ALA 52 Ca 0.00 0.73 0.06 0.00 0.00 0.00 0.00 51.96 52.75 3dkw s ALA 52 Cb 0.00 -0.18 -0.04 0.00 0.00 0.00 0.00 23.12 22.90 3dkw s ALA 52 CO 0.00 -0.25 0.03 -0.59 0.00 0.00 0.00 175.76 174.95 3dkw s PHE 53 N -0.80 2.94 0.11 0.00 -0.71 -1.26 -4.97 117.98 113.28 3dkw s PHE 53 Ca -0.09 -0.09 0.07 0.00 -1.04 0.00 0.00 56.93 55.78 3dkw s PHE 53 Cb -0.04 -1.44 -0.04 0.00 -1.21 0.00 0.00 43.02 40.30 3dkw s PHE 53 CO 0.04 0.51 -0.11 0.71 -1.34 0.00 0.00 175.22 175.03 3dkw s TYR 54 N -1.66 2.72 -0.17 3.49 1.51 -1.22 -3.12 117.35 118.90 3dkw s TYR 54 Ca 0.28 -0.17 0.00 0.00 -1.01 0.00 0.00 57.07 56.17 3dkw s TYR 54 Cb -0.10 -1.42 0.04 0.00 -0.11 0.00 0.00 41.96 40.37 3dkw s TYR 54 CO 0.20 0.43 -0.09 -0.47 -1.11 0.00 0.00 175.55 174.50 3dkw s TYR 55 N -1.22 2.06 -0.16 2.71 6.14 -1.04 -2.58 117.35 123.26 3dkw s TYR 55 Ca 0.21 -1.29 -0.23 0.00 0.64 0.00 0.00 57.07 56.40 3dkw s TYR 55 Cb -0.11 -1.49 -0.02 0.00 0.42 0.00 0.00 41.96 40.76 3dkw s TYR 55 CO 0.13 -0.67 0.74 -1.17 0.64 0.00 0.00 175.55 175.22 3dkw s LEU 56 N 1.52 4.20 -0.20 6.97 2.96 -1.20 -1.44 118.68 131.48 3dkw s LEU 56 Ca 0.01 1.07 -0.18 0.00 -0.22 0.00 0.00 54.13 54.81 3dkw s LEU 56 Cb -0.15 -3.09 -0.15 0.00 0.50 0.00 0.00 46.19 43.30 3dkw s LEU 56 CO -0.08 -0.30 0.08 -0.38 -1.32 0.00 0.00 176.35 174.34 3dkw n ILE 57 N 4.52 1.51 -3.79 6.68 -0.00 -1.07 -2.64 119.36 124.56 3dkw n ILE 57 Ca 0.01 0.01 -0.13 0.00 -0.00 0.00 0.00 62.75 62.64 3dkw n ILE 57 Cb 0.50 -2.11 -0.14 0.00 -0.00 0.00 0.00 39.64 37.88 3dkw n ILE 57 CO 0.00 0.00 0.00 -0.55 -0.00 0.00 0.00 176.55 176.00 3dkw s SER 58 N -6.64 -0.10 0.00 4.38 0.15 -1.26 -4.18 113.70 106.06 3dkw s SER 58 Ca -0.26 0.24 0.00 0.00 0.70 0.00 0.00 55.95 56.63 3dkw s SER 58 Cb 0.06 0.18 0.00 0.00 -1.71 0.00 0.00 66.02 64.55 3dkw s SER 58 CO 0.50 -0.10 0.00 0.61 1.20 0.00 0.00 173.24 175.45 3dkw n GLY 59 N 3.67 0.39 2.95 9.45 0.00 -1.26 -2.80 105.19 117.59 3dkw n GLY 59 Ca -0.20 -2.28 -0.19 0.00 0.00 0.00 0.00 46.02 43.35 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 0.33 0.64 -0.12 0.00 1.01 -1.15 -2.59 120.40 118.51 3dkw s VAL 61 Ca -0.04 -0.31 -0.02 0.00 0.00 0.00 0.00 61.98 61.61 3dkw s VAL 61 Cb -0.08 -0.56 -0.03 0.00 0.00 0.00 0.00 36.38 35.71 3dkw s VAL 61 CO 0.00 0.19 -0.06 -1.59 0.00 0.00 0.00 175.10 173.64 3dkw s LYS 62 N 0.02 3.32 -0.10 2.72 -2.85 -0.01 -2.79 119.74 120.06 3dkw s LYS 62 Ca -0.00 -0.55 -0.07 0.00 -1.00 0.00 0.00 55.97 54.35 3dkw s LYS 62 Cb -0.06 -2.77 -0.02 0.00 -2.06 0.00 0.00 37.83 32.93 3dkw s LYS 62 CO -0.00 0.38 -0.13 -0.89 0.10 0.00 0.00 175.35 174.81 3dkw n ILE 63 N 3.08 0.96 -0.88 3.79 5.41 -1.26 -0.24 119.36 130.23 3dkw n ILE 63 Ca -0.18 0.31 0.10 0.00 1.00 0.00 0.00 62.75 63.98 3dkw n ILE 63 Cb 0.53 -2.10 -0.03 0.00 -0.71 0.00 0.00 39.64 37.33 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 -3.85 -1.92 -3.53 1.39 4.11 -1.26 -3.59 117.16 108.51 3dkw n TYR 64 Ca -0.05 0.98 0.00 0.00 -0.00 0.00 0.00 57.90 58.83 3dkw n TYR 64 Cb 0.19 -1.75 0.00 0.00 -0.00 0.00 0.00 39.34 37.79 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 -2.82 1.65 -3.84 -3.48 1.74 0.19 -3.44 116.66 106.66 3dkw n ARG 65 Ca -0.01 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.78 3dkw n ARG 65 Cb 0.59 0.00 -0.13 0.00 -1.02 0.00 0.00 32.46 31.90 3dkw n ARG 65 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3dkw s LEU 66 N 0.00 3.71 0.91 0.55 1.43 -1.26 -3.27 118.68 120.75 3dkw s LEU 66 Ca 0.00 -2.98 -0.12 0.00 -1.03 0.00 0.00 54.13 50.00 3dkw s LEU 66 Cb 0.00 -1.39 0.14 0.00 0.03 0.00 0.00 46.19 44.97 3dkw s LEU 66 CO 0.00 -0.22 1.10 0.42 0.23 0.00 0.00 176.35 177.87 3dkw s THR 67 N -0.20 2.53 0.58 5.49 -4.23 -1.16 -4.96 115.64 113.69 3dkw s THR 67 Ca 0.19 0.17 -0.20 0.00 -1.18 0.00 0.00 61.69 60.67 3dkw s THR 67 Cb -0.22 -2.71 -0.04 0.00 1.34 0.00 0.00 72.50 70.87 3dkw s THR 67 CO -0.03 -0.22 1.26 -2.16 -0.54 0.00 0.00 174.62 172.93 3dkw s PRO 68 N -5.00 3.01 -1.00 3.99 0.04 -1.26 -2.68 135.00 132.11 3dkw s PRO 68 Ca 0.64 1.97 0.00 0.00 0.04 0.00 0.00 61.00 63.65 3dkw s PRO 68 Cb -0.17 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 32.32 3dkw s PRO 68 CO 0.56 -1.21 0.00 0.39 0.04 0.00 0.00 177.00 176.78 3dkw n GLU 69 N -1.39 -0.79 0.00 4.56 1.02 -1.26 -4.78 120.64 117.99 3dkw n GLU 69 Ca 0.13 0.80 0.00 0.00 -0.02 0.00 0.00 57.16 58.07 3dkw n GLU 69 Cb 0.48 -4.74 0.00 0.00 -0.02 0.00 0.00 31.44 27.16 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 -1.55 -1.85 0.42 0.62 0.00 -1.09 -5.09 105.19 96.64 3dkw n GLY 70 Ca -0.09 -1.40 0.00 0.00 0.00 0.00 0.00 46.02 44.53 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 -1.19 -3.55 1.61 1.13 -1.26 -4.35 117.38 109.77 3dkw n GLN 71 Ca 0.00 0.88 -0.37 0.00 -1.94 0.00 0.00 57.00 55.58 3dkw n GLN 71 Cb 0.00 -0.99 -0.07 0.00 0.11 0.00 0.00 30.24 29.29 3dkw n GLN 71 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 3dkw s GLU 72 N -5.20 4.16 -0.27 -1.09 2.02 -1.26 -3.01 118.70 114.06 3dkw s GLU 72 Ca 0.00 0.13 -0.04 0.00 0.02 0.00 0.00 54.97 55.08 3dkw s GLU 72 Cb 0.00 -3.39 0.01 0.00 0.10 0.00 0.00 34.13 30.86 3dkw s GLU 72 CO 0.00 0.32 0.01 0.21 0.02 0.00 0.00 175.26 175.82 3dkw s LYS 73 N 0.20 3.00 -0.01 1.61 2.20 -1.20 -4.92 119.74 120.62 3dkw s LYS 73 Ca 0.18 -0.89 -0.30 0.00 -0.36 0.00 0.00 55.97 54.59 3dkw s LYS 73 Cb -0.13 -3.18 -0.04 0.00 -1.51 0.00 0.00 37.83 32.97 3dkw s LYS 73 CO 0.05 -0.41 1.18 0.42 -0.36 0.00 0.00 175.35 176.23 3dkw s ILE 74 N 1.42 4.24 -0.23 5.43 -1.09 -1.26 -0.64 121.20 129.08 3dkw s ILE 74 Ca 0.02 1.59 -0.19 0.00 -2.23 0.00 0.00 60.65 59.84 3dkw s ILE 74 Cb -0.17 -4.02 -0.17 0.00 -1.58 0.00 0.00 42.46 36.52 3dkw s ILE 74 CO -0.01 0.06 0.05 0.18 -1.23 0.00 0.00 174.94 173.99 3dkw n LEU 75 N 4.59 1.93 -3.71 2.97 4.32 -1.26 -4.90 117.00 120.93 3dkw n LEU 75 Ca 0.10 0.38 -0.13 0.00 -0.02 0.00 0.00 56.01 56.34 3dkw n LEU 75 Cb 0.47 -0.93 -0.09 0.00 -1.62 0.00 0.00 43.42 41.24 3dkw n LEU 75 CO 0.55 0.39 0.13 -1.83 -1.22 0.00 0.00 177.39 175.41 3dkw s GLU 76 N -2.41 0.57 -0.28 3.23 -1.05 -1.26 -5.04 118.70 112.45 3dkw s GLU 76 Ca -0.32 0.52 -0.10 0.00 -0.15 0.00 0.00 54.97 54.93 3dkw s GLU 76 Cb 0.08 0.27 -0.03 0.00 -0.44 0.00 0.00 34.13 34.02 3dkw s GLU 76 CO 0.57 -0.09 0.15 0.08 0.95 0.00 0.00 175.26 176.92 3dkw s VAL 77 N -0.00 4.81 -0.16 1.83 1.01 -1.26 -3.98 120.40 122.65 3dkw s VAL 77 Ca -0.02 -0.12 -0.21 0.00 0.00 0.00 0.00 61.98 61.64 3dkw s VAL 77 Cb -0.03 -3.34 -0.03 0.00 0.00 0.00 0.00 36.38 32.98 3dkw s VAL 77 CO 0.01 0.21 0.61 0.28 0.00 0.00 0.00 175.10 176.21 3dkw s THR 78 N 1.67 5.06 0.00 3.92 -1.32 -1.12 -5.03 115.64 118.83 3dkw s THR 78 Ca 0.06 1.17 0.00 0.00 -1.21 0.00 0.00 61.69 61.71 3dkw s THR 78 Cb -0.16 -3.93 0.00 0.00 -1.51 0.00 0.00 72.50 66.90 3dkw s THR 78 CO 0.07 0.17 0.00 -3.20 -2.21 0.00 0.00 174.62 169.46 3dkw n ASN 79 N 4.62 0.00 -4.86 8.08 2.85 -1.26 -2.95 115.26 121.74 3dkw n ASN 79 Ca -0.02 0.00 -0.32 0.00 -0.11 0.00 0.00 54.58 54.12 3dkw n ASN 79 Cb 0.50 0.00 -0.06 0.00 1.24 0.00 0.00 39.78 41.47 3dkw n ASN 79 CO 0.00 0.00 0.00 -1.61 -2.11 0.00 0.00 177.26 173.54 3dkw s GLU 80 N 3.97 3.93 -1.09 1.20 2.02 -1.26 -4.34 118.70 123.13 3dkw s GLU 80 Ca 0.00 0.56 -0.00 0.00 0.02 0.00 0.00 54.97 55.55 3dkw s GLU 80 Cb 0.00 -2.47 -0.00 0.00 0.10 0.00 0.00 34.13 31.76 3dkw s GLU 80 CO 0.00 0.17 0.91 0.54 0.02 0.00 0.00 175.26 176.89 3dkw n ARG 81 N -0.44 -5.96 -3.61 1.61 1.74 -1.08 -5.02 116.66 103.90 3dkw n ARG 81 Ca 0.03 0.77 -0.11 0.00 -0.77 0.00 0.00 57.85 57.77 3dkw n ARG 81 Cb 0.53 -5.55 -0.06 0.00 -1.02 0.00 0.00 32.46 26.35 3dkw n ARG 81 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3dkw s ASN 82 N -4.22 -0.47 0.33 0.55 2.20 -1.25 -5.03 114.94 107.05 3dkw s ASN 82 Ca 0.00 0.76 0.01 0.00 -0.94 0.00 0.00 52.86 52.70 3dkw s ASN 82 Cb -0.00 0.73 -0.03 0.00 -2.00 0.00 0.00 41.25 39.94 3dkw s ASN 82 CO 0.66 -0.25 0.53 0.42 -2.94 0.00 0.00 177.10 175.52 3dkw s THR 83 N -0.28 5.12 -0.06 0.54 -4.23 -1.26 -3.25 115.64 112.22 3dkw s THR 83 Ca 0.00 -0.51 -0.11 0.00 -1.18 0.00 0.00 61.69 59.89 3dkw s THR 83 Cb -0.03 -3.86 0.02 0.00 1.34 0.00 0.00 72.50 69.97 3dkw s THR 83 CO -0.02 -0.53 0.27 0.72 -0.54 0.00 0.00 174.62 174.52 3dkw s PHE 84 N -2.28 -0.21 -0.43 3.99 -0.71 -1.07 -4.87 117.98 112.41 3dkw s PHE 84 Ca 0.39 0.45 0.00 0.00 -1.04 0.00 0.00 56.93 56.74 3dkw s PHE 84 Cb -0.10 0.08 0.00 0.00 -1.21 0.00 0.00 43.02 41.79 3dkw s PHE 84 CO 0.35 -0.25 0.00 0.00 -1.34 0.00 0.00 175.22 173.98 3dkw n ALA 85 N 2.14 -0.06 0.21 1.99 0.00 -1.26 -3.41 120.51 120.12 3dkw n ALA 85 Ca -0.17 0.06 0.12 0.00 0.00 0.00 0.00 53.44 53.45 3dkw n ALA 85 Cb 0.57 -0.77 0.13 0.00 0.00 0.00 0.00 19.45 19.37 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 0.22 0.00 0.00 0.00 9.09 -1.90 -3.17 114.58 118.81 3dkw h GLU 86 Ca -0.08 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.33 3dkw h GLU 86 Cb 0.34 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.44 3dkw h GLU 86 CO 0.12 0.00 0.00 0.00 0.05 0.00 0.00 179.01 179.18 3dkw n ALA 87 N -2.11 1.81 0.47 1.06 0.00 -1.26 -2.39 120.51 118.10 3dkw n ALA 87 Ca 0.03 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.60 3dkw n ALA 87 Cb 0.53 -1.35 0.46 0.00 0.00 0.00 0.00 19.45 19.09 3dkw n ALA 87 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 3dkw h MET 88 N 0.00 0.00 0.01 0.00 2.86 -1.96 -3.11 114.93 112.73 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 0.39 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.05 3dkw h MET 88 CO 0.00 0.00 -0.01 0.52 1.06 0.00 0.00 176.91 178.48 3dkw h MET 89 N 0.00 -0.02 0.00 1.72 2.86 -1.69 -3.05 114.93 114.75 3dkw h MET 89 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3dkw h MET 89 Cb 0.54 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.21 3dkw h MET 89 CO 0.00 -0.01 0.00 1.97 1.06 0.00 0.00 176.91 179.93 3dkw n PHE 90 N -2.11 0.00 1.05 -0.22 1.16 -1.26 -1.68 117.46 114.40 3dkw n PHE 90 Ca -0.00 0.00 0.12 0.00 -1.87 0.00 0.00 57.45 55.69 3dkw n PHE 90 Cb 0.01 0.00 0.07 0.00 -1.61 0.00 0.00 39.48 37.95 3dkw n PHE 90 CO 0.00 0.00 0.00 -1.33 -1.87 0.00 0.00 176.76 173.56 3dkw n MET 91 N -0.58 1.35 -3.41 3.97 2.81 -1.18 -5.00 117.12 115.08 3dkw n MET 91 Ca 0.03 -1.08 -0.18 0.00 -1.81 0.00 0.00 57.70 54.66 3dkw n MET 91 Cb 0.01 -1.48 0.04 0.00 -0.71 0.00 0.00 33.22 31.08 3dkw n MET 91 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 3dkw n ASP 92 N 0.12 -6.31 -4.58 7.83 2.03 -0.67 -4.98 116.55 109.99 3dkw n ASP 92 Ca 0.11 -0.69 -0.37 0.00 0.52 0.00 0.00 54.79 54.36 3dkw n ASP 92 Cb 0.47 -4.27 -0.11 0.00 -0.72 0.00 0.00 41.12 36.50 3dkw n ASP 92 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 3dkw s THR 93 N -3.28 5.04 0.06 5.18 -4.23 -1.15 -4.97 115.64 112.27 3dkw s THR 93 Ca 0.31 0.07 0.17 0.00 -1.18 0.00 0.00 61.69 61.07 3dkw s THR 93 Cb -0.08 -3.37 0.10 0.00 1.34 0.00 0.00 72.50 70.50 3dkw s THR 93 CO 0.80 0.31 1.63 1.55 -0.54 0.00 0.00 174.62 178.37 3dkw h PRO 94 N 7.98 0.00 -3.96 3.99 0.13 -1.91 -3.40 132.00 134.84 3dkw h PRO 94 Ca -0.37 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.64 3dkw h PRO 94 Cb 1.18 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.14 3dkw h PRO 94 CO 0.60 0.43 -0.58 -0.80 -0.23 0.00 0.00 178.00 177.41 3dkw s ASN 95 N -6.44 0.28 0.15 1.44 0.02 -1.26 -2.19 114.94 106.93 3dkw s ASN 95 Ca 0.01 -0.68 -0.30 0.00 -1.02 0.00 0.00 52.86 50.87 3dkw s ASN 95 Cb 0.10 0.21 -0.07 0.00 0.02 0.00 0.00 41.25 41.51 3dkw s ASN 95 CO 0.71 -0.53 1.14 -0.31 0.02 0.00 0.00 177.10 178.13 3dkw s TYR 96 N -2.96 3.52 -0.24 2.20 2.02 -0.50 -4.69 117.35 116.69 3dkw s TYR 96 Ca -0.02 1.49 0.14 0.00 -0.37 0.00 0.00 57.07 58.30 3dkw s TYR 96 Cb 0.01 -3.34 0.79 0.00 -0.40 0.00 0.00 41.96 39.01 3dkw s TYR 96 CO -0.06 -0.90 1.73 1.33 -1.57 0.00 0.00 175.55 176.08 3dkw n VAL 97 N 2.83 2.75 -3.69 0.71 0.24 -1.26 -2.33 118.33 117.59 3dkw n VAL 97 Ca 0.05 -1.50 -0.12 0.00 -2.04 0.00 0.00 64.34 60.73 3dkw n VAL 97 Cb 0.46 -0.29 -0.06 0.00 -1.47 0.00 0.00 33.84 32.48 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 -2.81 -0.86 -0.82 2.33 0.00 -1.26 -4.90 121.76 113.43 3dkw s ALA 98 Ca 0.54 0.10 -0.01 0.00 0.00 0.00 0.00 51.96 52.58 3dkw s ALA 98 Cb 0.41 0.42 0.20 0.00 0.00 0.00 0.00 23.12 24.16 3dkw s ALA 98 CO 0.15 -0.49 0.68 0.99 0.00 0.00 0.00 175.76 177.09 3dkw s THR 99 N -2.86 4.10 0.30 0.00 2.01 -1.22 -2.98 115.64 114.99 3dkw s THR 99 Ca -0.03 -3.71 -0.29 0.00 0.31 0.00 0.00 61.69 57.97 3dkw s THR 99 Cb 0.00 -3.58 -0.10 0.00 0.01 0.00 0.00 72.50 68.83 3dkw s THR 99 CO -0.05 -1.04 1.40 0.00 -0.69 0.00 0.00 174.62 174.24 3dkw s ALA 100 N -1.08 3.57 -0.11 7.40 0.00 -0.78 -4.68 121.76 126.08 3dkw s ALA 100 Ca 0.25 1.35 -0.09 0.00 0.00 0.00 0.00 51.96 53.47 3dkw s ALA 100 Cb -0.10 -3.54 0.03 0.00 0.00 0.00 0.00 23.12 19.52 3dkw s ALA 100 CO -0.11 -0.76 0.28 -1.14 0.00 0.00 0.00 175.76 174.04 3dkw s GLN 101 N -1.18 0.31 -0.04 0.00 0.74 0.66 -0.86 119.66 119.28 3dkw s GLN 101 Ca 0.54 0.44 -0.24 0.00 0.05 0.00 0.00 55.36 56.16 3dkw s GLN 101 Cb -0.42 0.09 -0.04 0.00 1.10 0.00 0.00 33.01 33.74 3dkw s GLN 101 CO 0.50 -0.07 0.74 0.00 -0.55 0.00 0.00 175.29 175.91 3dkw s ALA 102 N 0.45 3.32 -0.15 1.58 0.00 -0.91 -0.83 121.76 125.22 3dkw s ALA 102 Ca -0.02 0.20 0.17 0.00 0.00 0.00 0.00 51.96 52.31 3dkw s ALA 102 Cb -0.04 -3.00 -0.06 0.00 0.00 0.00 0.00 23.12 20.02 3dkw s ALA 102 CO -0.02 -0.09 1.01 -0.39 0.00 0.00 0.00 175.76 176.27 3dkw h VAL 103 N 4.66 0.48 -3.99 0.00 -1.51 -1.80 -2.97 116.25 111.13 3dkw h VAL 103 Ca -0.42 -1.86 -0.21 0.00 -1.23 0.00 0.00 66.70 62.99 3dkw h VAL 103 Cb 1.20 2.03 -0.20 0.00 -2.13 0.00 0.00 31.29 32.19 3dkw h VAL 103 CO 0.75 0.28 -0.71 0.68 -1.23 0.00 0.00 177.57 177.33 3dkw s VAL 104 N -3.01 0.33 -0.73 7.19 -7.23 -1.24 -4.70 120.40 111.01 3dkw s VAL 104 Ca -0.01 -1.14 -0.35 0.00 -1.81 0.00 0.00 61.98 58.67 3dkw s VAL 104 Cb 0.08 -0.62 -0.18 0.00 0.56 0.00 0.00 36.38 36.22 3dkw s VAL 104 CO 0.79 -0.53 2.45 -2.65 -0.31 0.00 0.00 175.10 174.85 3dkw n PRO 105 N 1.28 0.23 -4.37 4.82 -0.02 -1.26 -4.50 135.00 131.17 3dkw n PRO 105 Ca -0.22 0.03 -0.22 0.00 -2.02 0.00 0.00 63.50 61.08 3dkw n PRO 105 Cb 0.56 -1.80 -0.11 0.00 -0.02 0.00 0.00 33.50 32.13 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 8.25 2.91 -0.13 2.55 0.01 -1.01 -4.71 113.70 121.56 3dkw s SER 106 Ca 1.25 -0.93 0.02 0.00 1.31 0.00 0.00 55.95 57.59 3dkw s SER 106 Cb -1.18 -0.19 0.01 0.00 0.21 0.00 0.00 66.02 64.88 3dkw s SER 106 CO 0.52 -0.03 -0.18 -1.58 0.41 0.00 0.00 173.24 172.38 3dkw s GLN 107 N -3.10 2.57 0.08 12.44 0.74 -1.12 -2.30 119.66 128.97 3dkw s GLN 107 Ca 0.20 -0.68 0.05 0.00 0.05 0.00 0.00 55.36 54.98 3dkw s GLN 107 Cb -0.05 -2.17 -0.03 0.00 1.10 0.00 0.00 33.01 31.86 3dkw s GLN 107 CO 0.09 -0.09 -0.14 -0.51 -0.55 0.00 0.00 175.29 174.08 3dkw s LEU 108 N 1.04 2.29 0.13 3.68 1.02 -0.97 -2.61 118.68 123.25 3dkw s LEU 108 Ca -0.04 -0.64 -0.17 0.00 0.02 0.00 0.00 54.13 53.31 3dkw s LEU 108 Cb -0.15 -0.54 -0.07 0.00 0.02 0.00 0.00 46.19 45.46 3dkw s LEU 108 CO -0.04 -0.08 0.58 -0.36 0.02 0.00 0.00 176.35 176.48 3dkw s PHE 109 N -1.34 3.69 -0.33 0.29 0.40 -0.52 -0.97 117.98 119.19 3dkw s PHE 109 Ca -0.01 1.19 0.04 0.00 -0.60 0.00 0.00 56.93 57.55 3dkw s PHE 109 Cb -0.10 -2.45 0.10 0.00 0.51 0.00 0.00 43.02 41.08 3dkw s PHE 109 CO 0.02 0.48 0.04 0.50 0.70 0.00 0.00 175.22 176.96 3dkw s ARG 110 N -1.64 1.49 0.00 0.44 3.52 0.38 -2.50 118.95 120.64 3dkw s ARG 110 Ca 0.35 -1.81 0.00 0.00 -0.13 0.00 0.00 55.73 54.15 3dkw s ARG 110 Cb -0.17 -3.13 0.00 0.00 -1.56 0.00 0.00 34.95 30.09 3dkw s ARG 110 CO 0.19 -0.92 0.00 1.19 -0.81 0.00 0.00 175.30 174.95 3dkw n PHE 111 N 4.29 -2.48 -5.03 5.12 3.01 -1.18 -1.13 117.46 120.06 3dkw n PHE 111 Ca 0.03 0.00 -0.29 0.00 1.01 0.00 0.00 57.45 58.20 3dkw n PHE 111 Cb 0.42 0.00 -0.16 0.00 -0.01 0.00 0.00 39.48 39.73 3dkw n PHE 111 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 3dkw s SER 112 N -1.00 2.61 0.10 4.37 0.15 -1.26 -4.34 113.70 114.33 3dkw s SER 112 Ca 0.00 -0.44 -0.14 0.00 0.70 0.00 0.00 55.95 56.06 3dkw s SER 112 Cb 0.00 -0.87 -0.11 0.00 -1.71 0.00 0.00 66.02 63.33 3dkw s SER 112 CO 0.00 0.17 1.37 0.78 1.20 0.00 0.00 173.24 176.76 3dkw h ASN 113 N 6.35 0.81 -0.12 5.45 4.21 -1.51 -2.70 115.58 128.07 3dkw h ASN 113 Ca -0.29 -0.54 -0.08 0.00 1.21 0.00 0.00 56.30 56.60 3dkw h ASN 113 Cb 1.19 -0.23 -0.02 0.00 -1.12 0.00 0.00 38.32 38.14 3dkw h ASN 113 CO 0.47 1.19 -0.17 0.11 -1.29 0.00 0.00 177.43 177.74 3dkw h LYS 114 N 0.45 0.52 -0.03 0.81 1.57 -1.97 -1.91 116.57 116.01 3dkw h LYS 114 Ca 0.01 -0.17 -0.12 0.00 -1.87 0.00 0.00 60.65 58.51 3dkw h LYS 114 Cb 1.05 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.30 3dkw h LYS 114 CO 0.10 0.67 -0.52 0.00 -0.57 0.00 0.00 179.45 179.13 3dkw h ALA 115 N 1.35 1.07 0.00 3.86 0.00 -1.94 -1.93 119.26 121.67 3dkw h ALA 115 Ca 0.08 -0.48 -0.11 0.00 0.00 0.00 0.00 54.91 54.40 3dkw h ALA 115 Cb 0.57 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 3dkw h ALA 115 CO 0.04 0.66 -0.51 -0.92 0.00 0.00 0.00 179.25 178.52 3dkw h TYR 116 N 0.07 0.00 0.10 0.00 3.20 -1.14 -3.17 116.97 116.03 3dkw h TYR 116 Ca -0.00 0.00 -0.27 0.00 3.14 0.00 0.00 58.73 61.60 3dkw h TYR 116 Cb 0.95 0.00 0.01 0.00 1.54 0.00 0.00 36.73 39.23 3dkw h TYR 116 CO 0.01 0.51 -1.17 -0.07 -1.64 0.00 0.00 178.16 175.80 3dkw h LEU 117 N 0.00 0.58 -2.19 2.82 3.38 -1.15 -3.16 115.31 115.59 3dkw h LEU 117 Ca -0.01 -0.55 -0.01 0.00 0.09 0.00 0.00 57.88 57.40 3dkw h LEU 117 Cb 1.36 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.93 3dkw h LEU 117 CO 0.07 1.39 -0.06 0.03 0.09 0.00 0.00 178.44 179.96 3dkw h ARG 118 N 0.17 0.00 0.00 1.13 3.08 -1.37 -0.66 114.38 116.72 3dkw h ARG 118 Ca -0.14 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.83 3dkw h ARG 118 Cb 1.85 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.89 3dkw h ARG 118 CO 0.20 0.06 -0.41 0.37 -1.07 0.00 0.00 179.97 179.12 3dkw h GLN 119 N 0.00 0.00 0.00 0.04 4.15 -1.52 -3.11 115.11 114.67 3dkw h GLN 119 Ca -0.00 0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.38 3dkw h GLN 119 Cb 0.22 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.91 3dkw h GLN 119 CO 0.01 0.41 -1.62 1.28 -1.93 0.00 0.00 178.83 176.98 3dkw n LEU 120 N -3.70 0.38 -4.56 -2.39 4.77 -0.39 -4.86 117.00 106.25 3dkw n LEU 120 Ca -0.01 0.15 -0.42 0.00 -0.03 0.00 0.00 56.01 55.71 3dkw n LEU 120 Cb 0.49 0.02 -0.04 0.00 -2.33 0.00 0.00 43.42 41.56 3dkw n LEU 120 CO 0.38 -0.02 1.93 0.00 -1.33 0.00 0.00 177.39 178.34 3dkw n GLN 121 N -2.50 1.44 -0.14 3.23 6.02 -0.41 -4.53 117.38 120.50 3dkw n GLN 121 Ca -0.05 0.29 0.02 0.00 -0.01 0.00 0.00 57.00 57.24 3dkw n GLN 121 Cb 0.63 -3.15 -0.01 0.00 1.02 0.00 0.00 30.24 28.73 3dkw n GLN 121 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 3dkw n ASP 122 N 12.95 -0.83 -3.09 1.08 8.00 -1.26 -4.99 116.55 128.40 3dkw n ASP 122 Ca 0.35 0.09 -0.15 0.00 0.71 0.00 0.00 54.79 55.80 3dkw n ASP 122 Cb 0.44 -0.44 0.02 0.00 -0.02 0.00 0.00 41.12 41.11 3dkw n ASP 122 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3dkw n ASN 123 N -2.52 -6.98 -0.01 -2.24 3.02 -1.26 -4.92 115.26 100.35 3dkw n ASN 123 Ca -0.00 0.46 -0.17 0.00 -0.03 0.00 0.00 54.58 54.83 3dkw n ASN 123 Cb 0.06 -3.59 -0.09 0.00 -0.61 0.00 0.00 39.78 35.56 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 2.48 1.34 -1.54 3.41 1.35 -1.95 -3.25 112.91 114.75 3dkw h THR 124 Ca -0.18 -1.98 0.45 0.00 -0.55 0.00 0.00 66.41 64.15 3dkw h THR 124 Cb 0.95 2.25 -0.06 0.00 -1.73 0.00 0.00 68.15 69.56 3dkw h THR 124 CO 0.16 0.60 1.13 -0.65 -0.25 0.00 0.00 175.52 176.51 3dkw h PRO 125 N 0.22 0.00 -0.23 4.72 0.11 -1.98 1.25 132.00 136.10 3dkw h PRO 125 Ca -0.06 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.90 3dkw h PRO 125 Cb 1.33 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.44 3dkw h PRO 125 CO 0.14 0.00 -0.48 1.25 -0.21 0.00 0.00 178.00 178.69 3dkw h LEU 126 N 0.00 0.66 -0.75 2.35 5.85 -1.92 -1.56 115.31 119.94 3dkw h LEU 126 Ca 0.73 -0.33 -0.12 0.00 0.84 0.00 0.00 57.88 59.00 3dkw h LEU 126 Cb 2.99 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 43.82 3dkw h LEU 126 CO -0.01 1.04 -0.39 0.00 -0.34 0.00 0.00 178.44 178.74 3dkw h ALA 127 N 0.98 0.92 -0.09 1.25 0.00 0.14 -2.68 119.26 119.79 3dkw h ALA 127 Ca 0.02 -0.43 -0.13 0.00 0.00 0.00 0.00 54.91 54.37 3dkw h ALA 127 Cb 1.02 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 3dkw h ALA 127 CO 0.10 0.63 -0.54 -0.07 0.00 0.00 0.00 179.25 179.37 3dkw h LEU 128 N 0.41 0.30 -1.03 0.00 3.38 -1.30 -2.49 115.31 114.57 3dkw h LEU 128 Ca 0.04 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 57.82 3dkw h LEU 128 Cb 0.87 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.50 3dkw h LEU 128 CO 0.07 0.78 0.31 0.00 0.09 0.00 0.00 178.44 179.69 3dkw h ALA 129 N 1.23 1.24 -0.28 1.53 0.00 -1.01 -0.67 119.26 121.30 3dkw h ALA 129 Ca 0.00 -0.15 -0.14 0.00 0.00 0.00 0.00 54.91 54.62 3dkw h ALA 129 Cb 1.02 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 3dkw h ALA 129 CO 0.08 0.57 -0.40 -0.07 0.00 0.00 0.00 179.25 179.44 3dkw h LEU 130 N 0.99 0.71 -1.43 0.00 3.38 -1.31 -2.69 115.31 114.96 3dkw h LEU 130 Ca 0.24 -0.32 -0.06 0.00 0.09 0.00 0.00 57.88 57.83 3dkw h LEU 130 Cb 0.14 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 3dkw h LEU 130 CO -0.03 1.02 -0.27 -0.07 0.09 0.00 0.00 178.44 179.19 3dkw h LEU 131 N 0.55 0.00 -0.11 1.67 3.38 -0.96 -2.41 115.31 117.43 3dkw h LEU 131 Ca 0.05 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.93 3dkw h LEU 131 Cb 0.93 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.68 3dkw h LEU 131 CO 0.08 0.27 -0.29 0.00 0.09 0.00 0.00 178.44 178.59 3dkw h ALA 132 N 1.73 0.18 0.00 1.53 0.00 -0.84 -2.43 119.26 119.43 3dkw h ALA 132 Ca -0.00 -0.41 -0.06 0.00 0.00 0.00 0.00 54.91 54.43 3dkw h ALA 132 Cb 0.58 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 3dkw h ALA 132 CO 0.03 0.20 -0.31 0.87 0.00 0.00 0.00 179.25 180.05 3dkw h LYS 133 N -0.05 0.00 0.00 0.00 1.79 -1.37 -1.42 116.57 115.51 3dkw h LYS 133 Ca -0.01 0.00 -0.11 0.00 -2.18 0.00 0.00 60.65 58.36 3dkw h LYS 133 Cb 0.90 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.53 3dkw h LYS 133 CO 0.06 0.31 -0.52 -0.07 -1.08 0.00 0.00 179.45 178.15 3dkw h LEU 134 N 0.00 0.00 0.00 2.94 3.38 -1.41 -3.11 115.31 117.10 3dkw h LEU 134 Ca -0.00 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 3dkw h LEU 134 Cb 0.60 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 3dkw h LEU 134 CO 0.04 0.52 -0.62 -1.28 0.09 0.00 0.00 178.44 177.19 3dkw h SER 135 N 0.00 0.00 0.57 -0.43 0.87 -0.87 -3.22 113.55 110.47 3dkw h SER 135 Ca -0.01 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 3dkw h SER 135 Cb 1.17 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.13 3dkw h SER 135 CO 0.07 0.23 0.00 0.35 -0.53 0.00 0.00 176.83 176.95 3dkw n THR 136 N -2.99 0.43 1.48 2.23 -2.24 -0.60 -3.02 114.28 109.56 3dkw n THR 136 Ca 0.00 0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.89 3dkw n THR 136 Cb 0.64 -0.74 0.02 0.00 -2.10 0.00 0.00 70.33 68.15 3dkw n THR 136 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3dkw n ARG 137 N -1.39 0.74 0.29 -0.78 1.74 -1.22 -3.44 116.66 112.60 3dkw n ARG 137 Ca 0.08 0.00 0.16 0.00 -0.77 0.00 0.00 57.85 57.32 3dkw n ARG 137 Cb 0.21 -1.02 0.85 0.00 -1.02 0.00 0.00 32.46 31.49 3dkw n ARG 137 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 3dkw h LEU 138 N 0.00 0.00 -1.90 0.55 3.38 -1.81 -1.66 115.31 113.87 3dkw h LEU 138 Ca 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 3dkw h LEU 138 Cb 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 3dkw h LEU 138 CO 0.00 0.06 -0.12 1.12 0.09 0.00 0.00 178.44 179.59 3dkw h HIS 139 N 0.00 0.00 0.01 1.13 2.07 -1.88 -1.49 115.15 114.99 3dkw h HIS 139 Ca -0.00 0.00 -0.20 0.00 -2.85 0.00 0.00 60.37 57.32 3dkw h HIS 139 Cb 0.27 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.24 3dkw h HIS 139 CO 0.00 0.12 -0.89 1.96 -3.07 0.00 0.00 177.93 176.05 3dkw h GLN 140 N 0.00 0.13 -0.46 5.12 4.20 -1.60 -2.97 115.11 119.52 3dkw h GLN 140 Ca -0.00 -0.15 -0.08 0.00 0.06 0.00 0.00 58.65 58.48 3dkw h GLN 140 Cb 0.31 0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.12 3dkw h GLN 140 CO 0.02 0.93 -0.03 0.00 -0.67 0.00 0.00 178.83 179.08 3dkw h ARG 141 N 0.07 0.78 -0.21 1.46 3.08 -1.33 -2.41 114.38 115.81 3dkw h ARG 141 Ca -0.04 -0.22 -0.11 0.00 0.07 0.00 0.00 59.98 59.68 3dkw h ARG 141 Cb 1.54 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 31.49 3dkw h ARG 141 CO 0.13 0.81 -0.33 0.82 -1.07 0.00 0.00 179.97 180.33 3dkw h ILE 142 N 0.72 1.28 0.00 2.04 2.04 -1.47 -2.28 117.51 119.84 3dkw h ILE 142 Ca 0.14 -1.40 -0.02 0.00 1.00 0.00 0.00 64.86 64.58 3dkw h ILE 142 Cb 0.49 1.48 -0.00 0.00 -0.74 0.00 0.00 36.82 38.05 3dkw h ILE 142 CO 0.02 0.44 -0.09 0.44 0.00 0.00 0.00 178.15 178.96 3dkw h ASP 143 N 0.38 0.00 -0.08 1.72 3.32 -1.28 -1.55 116.42 118.93 3dkw h ASP 143 Ca 0.05 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.06 3dkw h ASP 143 Cb 0.76 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.31 3dkw h ASP 143 CO 0.06 0.09 -0.08 -0.33 -1.72 0.00 0.00 179.24 177.26 3dkw h GLU 144 N 0.00 0.19 -0.33 3.56 4.39 -1.01 -2.09 114.58 119.30 3dkw h GLU 144 Ca -0.00 -0.10 -0.12 0.00 0.34 0.00 0.00 59.36 59.48 3dkw h GLU 144 Cb 0.37 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.01 3dkw h GLU 144 CO 0.01 0.63 -0.29 0.82 -1.16 0.00 0.00 179.01 179.02 3dkw h ILE 145 N -0.23 1.28 -0.71 3.13 2.04 -1.43 -0.49 117.51 121.09 3dkw h ILE 145 Ca 0.01 -1.41 -0.02 0.00 1.00 0.00 0.00 64.86 64.44 3dkw h ILE 145 Cb 0.59 1.33 -0.03 0.00 -0.74 0.00 0.00 36.82 37.97 3dkw h ILE 145 CO 0.02 0.46 0.36 -0.33 0.00 0.00 0.00 178.15 178.66 3dkw h GLU 146 N 0.59 1.01 0.00 2.37 5.08 -1.30 0.30 114.58 122.64 3dkw h GLU 146 Ca 0.07 -0.14 -0.14 0.00 -1.00 0.00 0.00 59.36 58.15 3dkw h GLU 146 Cb 0.79 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.83 3dkw h GLU 146 CO 0.06 0.78 -0.68 1.79 -1.00 0.00 0.00 179.01 179.97 3dkw h THR 147 N 0.98 1.39 -0.06 1.13 1.35 -1.23 -2.20 112.91 114.28 3dkw h THR 147 Ca 0.25 -2.41 -0.22 0.00 -0.55 0.00 0.00 66.41 63.48 3dkw h THR 147 Cb 0.09 2.33 0.00 0.00 -1.73 0.00 0.00 68.15 68.85 3dkw h THR 147 CO -0.03 0.67 -0.85 -0.07 -0.25 0.00 0.00 175.52 174.98 3dkw h LEU 148 N 0.00 0.68 -0.23 3.87 3.38 -0.60 -2.35 115.31 120.06 3dkw h LEU 148 Ca -0.01 -0.49 -0.13 0.00 0.09 0.00 0.00 57.88 57.35 3dkw h LEU 148 Cb 1.28 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.82 3dkw h LEU 148 CO 0.09 1.27 -0.36 0.77 0.09 0.00 0.00 178.44 180.30 3dkw h SER 149 N 0.35 0.71 0.35 -0.43 4.64 -0.39 -1.48 113.55 117.30 3dkw h SER 149 Ca -0.07 -0.52 -0.05 0.00 -0.47 0.00 0.00 61.79 60.68 3dkw h SER 149 Cb 1.47 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 63.35 3dkw h SER 149 CO 0.16 1.09 -0.24 -0.07 -0.87 0.00 0.00 176.83 176.90 3dkw h LEU 150 N 0.35 0.00 -0.00 5.97 3.38 -1.45 0.47 115.31 124.03 3dkw h LEU 150 Ca 0.02 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 3dkw h LEU 150 Cb 0.95 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.70 3dkw h LEU 150 CO 0.08 0.24 -0.10 0.50 0.09 0.00 0.00 178.44 179.25 3dkw h LYS 151 N 0.00 0.08 -0.56 1.13 3.64 -1.30 -2.76 116.57 116.80 3dkw h LYS 151 Ca -0.00 -0.08 -0.07 0.00 -1.27 0.00 0.00 60.65 59.23 3dkw h LYS 151 Cb 0.48 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.30 3dkw h LYS 151 CO 0.03 0.82 0.07 -0.91 -2.27 0.00 0.00 179.45 177.19 3dkw h ASN 152 N -0.64 0.86 -0.60 4.20 2.35 -1.12 -2.16 115.58 118.48 3dkw h ASN 152 Ca -0.01 -0.19 -0.04 0.00 -0.55 0.00 0.00 56.30 55.51 3dkw h ASN 152 Cb 0.85 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.97 3dkw h ASN 152 CO 0.02 0.88 0.24 0.00 -1.65 0.00 0.00 177.43 176.92 3dkw h ALA 153 N 1.22 0.78 -0.35 -0.83 0.00 -0.99 -1.42 119.26 117.66 3dkw h ALA 153 Ca 0.17 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 3dkw h ALA 153 Cb 0.41 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3dkw h ALA 153 CO 0.01 0.40 -0.04 1.79 0.00 0.00 0.00 179.25 181.41 3dkw h THR 154 N 0.83 1.22 -0.64 0.00 1.35 -1.28 -0.12 112.91 114.27 3dkw h THR 154 Ca 0.20 -0.89 -0.09 0.00 -0.55 0.00 0.00 66.41 65.08 3dkw h THR 154 Cb 0.21 0.99 -0.02 0.00 -1.73 0.00 0.00 68.15 67.59 3dkw h THR 154 CO -0.02 0.30 0.06 0.45 -0.25 0.00 0.00 175.52 176.06 3dkw h HIS 155 N 0.54 1.17 -0.10 4.73 -0.00 -0.96 -2.98 115.15 117.54 3dkw h HIS 155 Ca 0.11 -0.18 -0.07 0.00 -0.00 0.00 0.00 60.37 60.23 3dkw h HIS 155 Cb 0.40 -0.31 0.00 0.00 -0.00 0.00 0.00 27.41 27.50 3dkw h HIS 155 CO 0.01 1.00 -0.21 -0.09 -0.00 0.00 0.00 177.93 178.65 3dkw h ARG 156 N 1.01 0.33 -0.56 2.45 2.43 -0.76 -2.91 114.38 116.36 3dkw h ARG 156 Ca 0.19 -0.21 0.11 0.00 -0.81 0.00 0.00 59.98 59.26 3dkw h ARG 156 Cb 0.50 0.03 -0.09 0.00 -0.42 0.00 0.00 29.97 29.99 3dkw h ARG 156 CO 0.02 0.81 0.04 0.28 -1.51 0.00 0.00 179.97 179.61 3dkw h VAL 157 N -0.11 0.59 -0.76 0.20 2.07 -1.04 0.73 116.25 117.92 3dkw h VAL 157 Ca 0.00 -0.05 -0.02 0.00 0.82 0.00 0.00 66.70 67.45 3dkw h VAL 157 Cb 0.80 0.42 -0.04 0.00 -1.52 0.00 0.00 31.29 30.95 3dkw h VAL 157 CO 0.05 0.03 0.41 0.58 0.02 0.00 0.00 177.57 178.65 3dkw h VAL 158 N 0.16 1.23 -0.47 2.57 2.07 -1.57 -0.39 116.25 119.85 3dkw h VAL 158 Ca 0.29 -0.60 -0.03 0.00 0.82 0.00 0.00 66.70 67.18 3dkw h VAL 158 Cb 0.44 0.23 -0.02 0.00 -1.52 0.00 0.00 31.29 30.42 3dkw h VAL 158 CO -0.44 0.26 0.17 -0.09 0.02 0.00 0.00 177.57 177.49 3dkw h ARG 159 N 1.06 0.68 -0.01 1.57 2.43 -0.92 0.12 114.38 119.31 3dkw h ARG 159 Ca 0.27 -0.10 -0.18 0.00 -0.81 0.00 0.00 59.98 59.16 3dkw h ARG 159 Cb 0.05 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.46 3dkw h ARG 159 CO -0.04 0.58 -0.79 1.88 -1.51 0.00 0.00 179.97 180.08 3dkw h TYR 160 N 0.67 0.17 0.07 2.20 0.05 -0.33 -3.14 116.97 116.66 3dkw h TYR 160 Ca 0.16 -0.09 -0.25 0.00 0.05 0.00 0.00 58.73 58.60 3dkw h TYR 160 Cb 0.17 -0.02 0.01 0.00 1.01 0.00 0.00 36.73 37.89 3dkw h TYR 160 CO 0.01 0.86 -1.09 -0.07 -1.05 0.00 0.00 178.16 176.82 3dkw h LEU 161 N 0.07 0.53 -1.42 3.88 3.38 -0.49 -3.17 115.31 118.09 3dkw h LEU 161 Ca -0.02 -0.48 -0.06 0.00 0.09 0.00 0.00 57.88 57.41 3dkw h LEU 161 Cb 1.39 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.96 3dkw h LEU 161 CO 0.11 1.32 -0.21 -0.07 0.09 0.00 0.00 178.44 179.68 3dkw h LEU 162 N 0.17 0.11 0.00 1.67 3.38 -0.81 0.58 115.31 120.40 3dkw h LEU 162 Ca -0.11 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.83 3dkw h LEU 162 Cb 1.77 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.49 3dkw h LEU 162 CO 0.19 0.33 -0.08 0.71 0.09 0.00 0.00 178.44 179.67 3dkw h THR 163 N 0.10 0.00 -0.00 0.22 1.35 -1.59 -3.26 112.91 109.73 3dkw h THR 163 Ca 0.02 -0.85 0.00 0.00 -0.55 0.00 0.00 66.41 65.03 3dkw h THR 163 Cb 0.44 1.80 0.00 0.00 -1.73 0.00 0.00 68.15 68.67 3dkw h THR 163 CO 0.03 0.00 -0.57 0.18 -0.25 0.00 0.00 175.52 174.91 3dkw n LEU 164 N -2.83 0.59 -0.26 3.87 4.77 -0.84 -4.35 117.00 117.95 3dkw n LEU 164 Ca 0.04 -0.50 0.14 0.00 -0.03 0.00 0.00 56.01 55.66 3dkw n LEU 164 Cb 0.50 0.00 0.57 0.00 -2.33 0.00 0.00 43.42 42.17 3dkw n LEU 164 CO 0.34 0.15 0.86 0.00 -1.33 0.00 0.00 177.39 177.40 3dkw n ALA 165 N -1.27 2.75 0.79 -1.18 0.00 0.20 -3.40 120.51 118.38 3dkw n ALA 165 Ca 0.02 -0.35 0.08 0.00 0.00 0.00 0.00 53.44 53.19 3dkw n ALA 165 Cb 0.19 -1.25 -0.10 0.00 0.00 0.00 0.00 19.45 18.29 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 -0.48 4.20 -2.95 0.00 0.00 -1.25 -4.66 120.51 115.37 3dkw n ALA 166 Ca 0.17 -0.48 -0.23 0.00 0.00 0.00 0.00 53.44 52.90 3dkw n ALA 166 Cb 0.30 -0.62 -0.03 0.00 0.00 0.00 0.00 19.45 19.10 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 -1.43 2.46 -0.96 0.00 8.25 -1.22 -5.11 115.22 117.22 3dkw n HIS 167 Ca 0.03 -3.74 0.01 0.00 -0.26 0.00 0.00 57.72 53.75 3dkw n HIS 167 Cb 0.27 -0.41 -0.01 0.00 1.12 0.00 0.00 29.99 30.97 3dkw n HIS 167 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3dkw n ALA 168 N -0.08 -1.48 -2.51 -1.41 0.00 -1.26 -4.76 120.51 109.01 3dkw n ALA 168 Ca 0.28 0.32 -0.21 0.00 0.00 0.00 0.00 53.44 53.83 3dkw n ALA 168 Cb 0.54 -1.09 0.12 0.00 0.00 0.00 0.00 19.45 19.02 3dkw n ALA 168 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3dkw n PRO 169 N -2.29 -0.16 0.00 0.00 -0.04 -1.26 -4.56 135.00 126.68 3dkw n PRO 169 Ca -0.01 -2.43 0.00 0.00 -0.04 0.00 0.00 63.50 61.03 3dkw n PRO 169 Cb 0.31 -0.67 0.00 0.00 -0.04 0.00 0.00 33.50 33.10 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 -2.10 0.86 2.97 0.55 0.00 -1.26 -4.51 105.19 101.71 3dkw n GLY 170 Ca 0.15 0.57 -0.43 0.00 0.00 0.00 0.00 46.02 46.32 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 3.22 -2.63 1.61 1.02 -1.26 -4.84 120.64 117.76 3dkw n GLU 171 Ca 0.00 -3.15 -0.42 0.00 -0.02 0.00 0.00 57.16 53.58 3dkw n GLU 171 Cb 0.00 -3.17 -0.03 0.00 -0.02 0.00 0.00 31.44 28.22 3dkw n GLU 171 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 3dkw s ASN 172 N 2.50 6.37 -0.42 1.62 -0.87 -1.26 -4.86 114.94 118.02 3dkw s ASN 172 Ca 0.45 -1.15 0.08 0.00 -1.57 0.00 0.00 52.86 50.67 3dkw s ASN 172 Cb 0.09 -2.53 0.25 0.00 -0.02 0.00 0.00 41.25 39.05 3dkw s ASN 172 CO -0.02 -1.56 0.55 0.00 -2.57 0.00 0.00 177.10 173.50 3dkw s ARG 174 N -1.38 0.46 -0.16 0.00 6.06 -1.26 -5.05 118.95 117.62 3dkw s ARG 174 Ca 0.36 1.18 -0.01 0.00 -2.50 0.00 0.00 55.73 54.75 3dkw s ARG 174 Cb 0.18 0.47 -0.01 0.00 0.06 0.00 0.00 34.95 35.64 3dkw s ARG 174 CO -0.10 -0.21 -0.10 0.08 -2.50 0.00 0.00 175.30 172.47 3dkw s VAL 175 N 2.49 3.16 -0.22 7.11 1.01 -1.26 -4.59 120.40 128.09 3dkw s VAL 175 Ca -0.05 -0.60 0.05 0.00 0.00 0.00 0.00 61.98 61.38 3dkw s VAL 175 Cb -0.11 -2.36 -0.17 0.00 0.00 0.00 0.00 36.38 33.74 3dkw s VAL 175 CO -0.16 0.50 -0.15 -0.62 0.00 0.00 0.00 175.10 174.67 3dkw n GLU 176 N 3.93 0.68 -2.25 2.72 1.02 -1.26 -4.98 120.64 120.49 3dkw n GLU 176 Ca -0.18 0.11 -0.41 0.00 -0.02 0.00 0.00 57.16 56.65 3dkw n GLU 176 Cb 0.52 -1.47 -0.03 0.00 -0.02 0.00 0.00 31.44 30.44 3dkw n GLU 176 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3dkw s ILE 177 N -2.46 3.16 -0.11 -3.67 1.01 -1.26 -4.97 121.20 112.90 3dkw s ILE 177 Ca -0.27 1.05 -0.07 0.00 0.00 0.00 0.00 60.65 61.36 3dkw s ILE 177 Cb 0.08 -3.67 -0.02 0.00 0.01 0.00 0.00 42.46 38.85 3dkw s ILE 177 CO 0.58 0.20 -0.14 -2.65 0.00 0.00 0.00 174.94 172.93 3dkw n PRO 178 N 1.86 0.34 -2.44 2.79 -0.02 -1.26 -4.87 135.00 131.41 3dkw n PRO 178 Ca 0.03 0.43 -0.32 0.00 -2.02 0.00 0.00 63.50 61.63 3dkw n PRO 178 Cb 0.43 -1.44 -0.03 0.00 -0.02 0.00 0.00 33.50 32.44 3dkw n PRO 178 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3dkw s VAL 179 N -1.97 4.59 0.32 -1.45 1.01 -1.26 -4.97 120.40 116.66 3dkw s VAL 179 Ca -0.12 1.09 0.16 0.00 0.00 0.00 0.00 61.98 63.11 3dkw s VAL 179 Cb 0.02 -3.73 0.12 0.00 0.00 0.00 0.00 36.38 32.78 3dkw s VAL 179 CO 0.18 -0.70 1.81 0.00 0.00 0.00 0.00 175.10 176.39 3dkw h ALA 180 N 0.88 1.22 0.00 5.51 0.00 -1.99 -2.32 119.26 122.56 3dkw h ALA 180 Ca -0.47 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.09 3dkw h ALA 180 Cb 1.19 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.91 3dkw h ALA 180 CO 0.62 0.46 -0.08 0.87 0.00 0.00 0.00 179.25 181.12 3dkw h LYS 181 N 0.00 0.00 0.00 0.00 1.57 -2.00 -3.10 116.57 113.04 3dkw h LYS 181 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3dkw h LYS 181 Cb 0.73 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.04 3dkw h LYS 181 CO 0.05 0.08 0.00 0.37 -0.57 0.00 0.00 179.45 179.38 3dkw h GLN 182 N 0.00 0.00 0.00 3.15 5.75 -1.80 -2.21 115.11 120.00 3dkw h GLN 182 Ca -0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 3dkw h GLN 182 Cb 1.06 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.61 3dkw h GLN 182 CO 0.01 0.00 -0.29 1.28 -2.65 0.00 0.00 178.83 177.18 3dkw n LEU 183 N -2.98 0.37 -0.06 -2.39 4.77 -1.17 -3.81 117.00 111.74 3dkw n LEU 183 Ca 0.01 0.27 -0.15 0.00 -0.03 0.00 0.00 56.01 56.11 3dkw n LEU 183 Cb 0.30 -0.34 -0.13 0.00 -2.33 0.00 0.00 43.42 40.92 3dkw n LEU 183 CO 0.26 0.03 0.31 0.58 -1.33 0.00 0.00 177.39 177.24 3dkw h VAL 184 N 0.00 1.73 0.00 4.08 2.07 -1.52 -3.32 116.25 119.29 3dkw h VAL 184 Ca 0.00 -2.37 0.00 0.00 0.82 0.00 0.00 66.70 65.15 3dkw h VAL 184 Cb 0.55 3.33 0.00 0.00 -1.52 0.00 0.00 31.29 33.65 3dkw h VAL 184 CO 0.00 0.61 0.00 0.00 0.02 0.00 0.00 177.57 178.20 3dkw n ALA 185 N -2.65 1.76 0.17 1.67 0.00 -1.23 -2.85 120.51 117.38 3dkw n ALA 185 Ca -0.11 -0.04 0.04 0.00 0.00 0.00 0.00 53.44 53.33 3dkw n ALA 185 Cb 0.53 -1.29 0.28 0.00 0.00 0.00 0.00 19.45 18.98 3dkw n ALA 185 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3dkw h GLY 186 N 2.81 0.00 -0.45 0.00 0.00 -1.66 -3.20 103.07 100.57 3dkw h GLY 186 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3dkw h GLY 186 CO 0.00 0.00 -0.24 -2.39 0.00 0.00 0.00 176.54 173.91 3dkw n HIS 187 N -3.57 0.00 -2.47 5.60 1.44 -1.13 -5.01 115.22 110.07 3dkw n HIS 187 Ca -0.00 0.00 -0.05 0.00 -2.01 0.00 0.00 57.72 55.65 3dkw n HIS 187 Cb 0.55 0.00 0.01 0.00 0.12 0.00 0.00 29.99 30.66 3dkw n HIS 187 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 3dkw n LEU 188 N -0.31 -6.22 -3.82 2.39 4.77 -1.16 -4.91 117.00 107.73 3dkw n LEU 188 Ca 0.04 0.37 -0.04 0.00 -0.03 0.00 0.00 56.01 56.35 3dkw n LEU 188 Cb 0.22 -2.71 0.00 0.00 -2.33 0.00 0.00 43.42 38.60 3dkw n LEU 188 CO 0.14 -1.66 0.74 -0.55 -1.33 0.00 0.00 177.39 174.73 3dkw s SER 189 N -2.17 -0.08 0.72 -1.43 0.15 -1.24 -5.04 113.70 104.62 3dkw s SER 189 Ca 0.17 -0.60 -0.11 0.00 0.70 0.00 0.00 55.95 56.11 3dkw s SER 189 Cb -0.05 0.53 0.02 0.00 -1.71 0.00 0.00 66.02 64.82 3dkw s SER 189 CO 0.55 -1.03 1.07 -0.63 1.20 0.00 0.00 173.24 174.40 3dkw s ILE 190 N -2.69 3.75 0.12 6.45 1.01 -1.26 -4.71 121.20 123.86 3dkw s ILE 190 Ca 0.17 0.57 -0.09 0.00 0.00 0.00 0.00 60.65 61.29 3dkw s ILE 190 Cb -0.02 -3.33 -0.16 0.00 0.01 0.00 0.00 42.46 38.97 3dkw s ILE 190 CO 0.05 -0.74 1.32 1.56 0.00 0.00 0.00 174.94 177.12 3dkw h GLN 191 N -0.82 0.66 0.00 2.79 4.20 -2.00 -3.21 115.11 116.74 3dkw h GLN 191 Ca -0.45 -0.58 -0.05 0.00 0.06 0.00 0.00 58.65 57.64 3dkw h GLN 191 Cb 1.23 0.13 -0.01 0.00 0.30 0.00 0.00 27.48 29.13 3dkw h GLN 191 CO 0.58 1.19 -0.23 -1.00 -0.67 0.00 0.00 178.83 178.70 3dkw h PRO 192 N 0.44 0.00 0.00 1.46 0.13 -2.02 -2.51 132.00 129.50 3dkw h PRO 192 Ca -0.06 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.01 3dkw h PRO 192 Cb 1.44 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.56 3dkw h PRO 192 CO 0.16 0.23 -0.29 0.93 -0.23 0.00 0.00 178.00 178.80 3dkw h GLU 193 N 0.00 0.00 0.15 0.86 5.08 -1.96 -3.22 114.58 115.49 3dkw h GLU 193 Ca -0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 3dkw h GLU 193 Cb 0.53 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.78 3dkw h GLU 193 CO 0.03 0.29 -0.07 1.79 -1.00 0.00 0.00 179.01 180.04 3dkw h THR 194 N 0.00 0.94 -0.36 1.13 1.35 -1.49 -2.46 112.91 112.02 3dkw h THR 194 Ca -0.00 -1.08 -0.01 0.00 -0.55 0.00 0.00 66.41 64.77 3dkw h THR 194 Cb 1.01 1.54 -0.02 0.00 -1.73 0.00 0.00 68.15 68.95 3dkw h THR 194 CO 0.04 0.23 0.18 -0.26 -0.25 0.00 0.00 175.52 175.45 3dkw h PHE 195 N -0.78 0.48 -0.27 4.73 0.04 -1.66 -2.38 116.94 117.10 3dkw h PHE 195 Ca -0.02 -0.00 -0.19 0.00 2.80 0.00 0.00 57.97 60.55 3dkw h PHE 195 Cb 0.53 -0.16 0.00 0.00 2.20 0.00 0.00 35.95 38.53 3dkw h PHE 195 CO 0.08 0.35 -0.59 0.66 -0.60 0.00 0.00 178.31 178.21 3dkw h SER 196 N 0.49 0.97 -0.58 2.17 4.64 -1.61 -2.71 113.55 116.94 3dkw h SER 196 Ca 0.13 -0.54 -0.04 0.00 -0.47 0.00 0.00 61.79 60.87 3dkw h SER 196 Cb 0.04 -0.28 -0.03 0.00 -0.31 0.00 0.00 62.40 61.82 3dkw h SER 196 CO -0.02 1.34 0.24 0.03 -0.87 0.00 0.00 176.83 177.55 3dkw h ARG 197 N 0.65 0.90 -0.08 4.77 3.08 -0.95 -2.22 114.38 120.53 3dkw h ARG 197 Ca 0.00 -0.15 -0.15 0.00 0.07 0.00 0.00 59.98 59.76 3dkw h ARG 197 Cb 1.20 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 31.09 3dkw h ARG 197 CO 0.13 0.74 -0.60 0.82 -1.07 0.00 0.00 179.97 179.99 3dkw h ILE 198 N 0.88 1.38 0.00 2.04 2.04 -1.44 -3.03 117.51 119.39 3dkw h ILE 198 Ca 0.21 -1.97 -0.09 0.00 1.00 0.00 0.00 64.86 64.00 3dkw h ILE 198 Cb 0.18 1.99 -0.01 0.00 -0.74 0.00 0.00 36.82 38.24 3dkw h ILE 198 CO -0.02 0.58 -0.45 0.24 0.00 0.00 0.00 178.15 178.51 3dkw h MET 199 N 0.20 0.00 -0.01 2.37 2.86 -1.11 -2.93 114.93 116.32 3dkw h MET 199 Ca -0.01 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.53 3dkw h MET 199 Cb 1.11 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.76 3dkw h MET 199 CO 0.10 0.45 -0.47 0.45 1.06 0.00 0.00 176.91 178.49 3dkw h HIS 200 N 0.00 0.02 0.00 -0.22 3.86 -1.29 -2.81 115.15 114.72 3dkw h HIS 200 Ca -0.00 -0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.20 3dkw h HIS 200 Cb 0.81 -0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.27 3dkw h HIS 200 CO 0.00 0.49 -0.02 0.00 0.86 0.00 0.00 177.93 179.26 3dkw h ARG 201 N 0.02 0.00 -0.17 2.45 2.47 -1.52 -3.22 114.38 114.41 3dkw h ARG 201 Ca -0.00 0.00 -0.04 0.00 -1.26 0.00 0.00 59.98 58.67 3dkw h ARG 201 Cb 0.84 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.16 3dkw h ARG 201 CO 0.06 0.02 -0.07 -0.07 0.56 0.00 0.00 179.97 180.47 3dkw h LEU 202 N 0.00 0.35 -1.18 3.04 3.38 -1.51 -2.66 115.31 116.74 3dkw h LEU 202 Ca -0.00 -0.40 -0.07 0.00 0.09 0.00 0.00 57.88 57.50 3dkw h LEU 202 Cb 0.78 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 3dkw h LEU 202 CO 0.00 0.67 -0.35 1.23 0.09 0.00 0.00 178.44 180.09 3dkw h GLY 203 N 0.03 0.00 2.00 0.83 0.00 -1.64 -2.53 103.07 101.76 3dkw h GLY 203 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.37 3dkw h GLY 203 CO 0.02 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.78 3dkw n ASP 204 N -3.72 0.37 -2.61 0.19 9.92 -1.19 -4.94 116.55 114.57 3dkw n ASP 204 Ca -0.01 0.55 -0.08 0.00 -0.53 0.00 0.00 54.79 54.72 3dkw n ASP 204 Cb 0.44 -0.65 0.04 0.00 -0.64 0.00 0.00 41.12 40.31 3dkw n ASP 204 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 3dkw n GLU 205 N -1.87 -1.35 0.00 -1.24 1.02 -0.95 -5.00 120.64 111.25 3dkw n GLU 205 Ca 0.05 0.67 0.00 0.00 -0.02 0.00 0.00 57.16 57.86 3dkw n GLU 205 Cb 0.33 -4.30 0.00 0.00 -0.02 0.00 0.00 31.44 27.44 3dkw n GLU 205 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3dkw n GLY 206 N -1.36 0.00 3.03 0.62 0.00 -1.02 -4.63 105.19 101.83 3dkw n GLY 206 Ca -0.04 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.34 0.77 -0.23 -0.61 1.01 -1.24 -0.17 121.20 119.40 3dkw s ILE 207 Ca 0.00 -0.41 -0.15 0.00 0.00 0.00 0.00 60.65 60.10 3dkw s ILE 207 Cb 0.00 -0.66 -0.04 0.00 0.01 0.00 0.00 42.46 41.77 3dkw s ILE 207 CO 0.00 0.22 0.36 -0.63 0.00 0.00 0.00 174.94 174.90 3dkw s ILE 208 N -0.14 5.21 0.01 2.92 1.01 0.66 -4.33 121.20 126.54 3dkw s ILE 208 Ca 0.02 0.60 -0.30 0.00 0.00 0.00 0.00 60.65 60.97 3dkw s ILE 208 Cb -0.05 -3.69 -0.05 0.00 0.01 0.00 0.00 42.46 38.68 3dkw s ILE 208 CO -0.00 0.24 1.32 -2.28 0.00 0.00 0.00 174.94 174.21 3dkw s HIS 209 N 1.50 3.06 0.09 3.97 2.46 -1.26 -3.79 115.29 121.32 3dkw s HIS 209 Ca 0.16 1.00 0.03 0.00 0.47 0.00 0.00 55.06 56.72 3dkw s HIS 209 Cb -0.15 -3.57 -0.04 0.00 -0.13 0.00 0.00 32.58 28.70 3dkw s HIS 209 CO 0.08 -1.98 -0.08 -0.51 -2.47 0.00 0.00 174.74 169.77 3dkw s LEU 210 N 2.03 2.42 -1.15 8.88 1.43 -1.20 -5.04 118.68 126.04 3dkw s LEU 210 Ca 0.61 -0.84 -0.22 0.00 -1.03 0.00 0.00 54.13 52.65 3dkw s LEU 210 Cb -0.30 -0.17 -0.05 0.00 0.03 0.00 0.00 46.19 45.70 3dkw s LEU 210 CO 0.26 -0.34 1.88 -1.81 0.23 0.00 0.00 176.35 176.58 3dkw s ASP 211 N -2.52 5.40 0.00 2.29 1.11 -1.26 -3.10 116.67 118.59 3dkw s ASP 211 Ca 0.05 -1.63 0.00 0.00 0.18 0.00 0.00 52.55 51.15 3dkw s ASP 211 Cb -0.01 -2.58 0.00 0.00 1.07 0.00 0.00 42.92 41.40 3dkw s ASP 211 CO -0.02 -2.66 0.00 0.61 1.18 0.00 0.00 175.17 174.28 3dkw n GLY 212 N 5.95 0.72 3.35 0.21 0.00 -1.26 -5.01 105.19 109.15 3dkw n GLY 212 Ca 0.44 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.28 3dkw n GLY 212 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3dkw s ARG 213 N -0.33 1.35 -0.15 1.61 0.52 -1.18 -4.99 118.95 115.78 3dkw s ARG 213 Ca 0.00 -1.61 -0.03 0.00 -0.52 0.00 0.00 55.73 53.58 3dkw s ARG 213 Cb 0.00 -1.11 0.05 0.00 0.52 0.00 0.00 34.95 34.41 3dkw s ARG 213 CO 0.00 0.16 0.03 -1.21 0.02 0.00 0.00 175.30 174.30 3dkw s GLU 214 N -3.66 0.58 -0.14 3.54 2.02 -1.26 -3.23 118.70 116.56 3dkw s GLU 214 Ca 0.23 -0.21 0.01 0.00 0.02 0.00 0.00 54.97 55.02 3dkw s GLU 214 Cb -0.00 -1.71 0.02 0.00 0.10 0.00 0.00 34.13 32.54 3dkw s GLU 214 CO 0.07 -0.53 -0.17 0.42 0.02 0.00 0.00 175.26 175.07 3dkw s ILE 215 N 1.92 1.74 0.22 -1.63 1.01 -1.25 -4.47 121.20 118.74 3dkw s ILE 215 Ca 0.01 -0.76 -0.16 0.00 0.00 0.00 0.00 60.65 59.74 3dkw s ILE 215 Cb -0.15 -1.58 -0.08 0.00 0.01 0.00 0.00 42.46 40.66 3dkw s ILE 215 CO -0.07 0.49 0.65 -0.94 0.00 0.00 0.00 174.94 175.07 3dkw s SER 216 N 1.12 6.88 -0.10 3.58 1.04 -1.26 -0.25 113.70 124.71 3dkw s SER 216 Ca -0.02 1.23 -0.20 0.00 0.48 0.00 0.00 55.95 57.44 3dkw s SER 216 Cb -0.14 -2.35 -0.27 0.00 0.10 0.00 0.00 66.02 63.35 3dkw s SER 216 CO -0.06 -0.00 0.65 0.40 0.98 0.00 0.00 173.24 175.21 3dkw h ILE 217 N 2.53 1.26 -2.33 -1.02 2.04 -0.88 -3.46 117.51 115.65 3dkw h ILE 217 Ca -0.48 -2.41 -0.34 0.00 1.00 0.00 0.00 64.86 62.63 3dkw h ILE 217 Cb 1.19 2.90 -0.35 0.00 -0.74 0.00 0.00 36.82 39.82 3dkw h ILE 217 CO 0.66 0.65 -0.64 -0.76 0.00 0.00 0.00 178.15 178.06 3dkw s LEU 218 N -7.77 -0.12 0.41 1.44 1.43 -0.90 -4.98 118.68 108.19 3dkw s LEU 218 Ca -0.19 -0.61 0.29 0.00 -1.03 0.00 0.00 54.13 52.59 3dkw s LEU 218 Cb 0.03 0.39 1.34 0.00 0.03 0.00 0.00 46.19 47.98 3dkw s LEU 218 CO 0.76 -0.37 1.87 0.44 0.23 0.00 0.00 176.35 179.28 3dkw h ASP 219 N 8.29 0.00 -0.40 2.29 3.32 -1.88 -2.77 116.42 125.28 3dkw h ASP 219 Ca -0.16 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.80 3dkw h ASP 219 Cb 1.10 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.63 3dkw h ASP 219 CO 0.33 0.00 -0.14 0.03 -1.72 0.00 0.00 179.24 177.74 3dkw h ARG 220 N 0.00 0.80 0.00 3.56 3.08 -1.97 -2.90 114.38 116.95 3dkw h ARG 220 Ca 0.00 -0.33 -0.08 0.00 0.07 0.00 0.00 59.98 59.64 3dkw h ARG 220 Cb 0.27 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.27 3dkw h ARG 220 CO 0.00 0.95 -0.40 0.93 -1.07 0.00 0.00 179.97 180.38 3dkw h GLU 221 N 0.61 0.00 -0.28 0.04 5.08 -1.91 -3.10 114.58 115.02 3dkw h GLU 221 Ca 0.09 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.34 3dkw h GLU 221 Cb 0.68 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 3dkw h GLU 221 CO 0.05 0.40 -0.30 0.00 -1.00 0.00 0.00 179.01 178.16 3dkw h ARG 222 N 0.00 0.57 0.00 2.33 3.08 -1.45 -2.31 114.38 116.60 3dkw h ARG 222 Ca -0.00 -0.24 0.00 0.00 0.07 0.00 0.00 59.98 59.80 3dkw h ARG 222 Cb 1.12 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.15 3dkw h ARG 222 CO 0.05 0.80 -0.15 -0.07 -1.07 0.00 0.00 179.97 179.53 3dkw h LEU 223 N 0.49 0.00 0.00 3.04 3.38 -1.51 -3.25 115.31 117.46 3dkw h LEU 223 Ca 0.06 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3dkw h LEU 223 Cb 0.76 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.51 3dkw h LEU 223 CO 0.06 0.00 -0.68 -0.33 0.09 0.00 0.00 178.44 177.58 3dkw h GLU 224 N 0.00 0.00 0.00 1.13 5.08 -1.43 -3.28 114.58 116.08 3dkw h GLU 224 Ca 0.00 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.29 3dkw h GLU 224 Cb 0.97 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.21 3dkw h GLU 224 CO 0.00 0.00 -0.33 0.00 -1.00 0.00 0.00 179.01 177.68 3dkw h PHE 226 N 0.00 0.50 0.00 0.00 3.57 -1.72 -3.48 116.94 115.81 3dkw h PHE 226 Ca -0.00 -0.36 0.00 0.00 3.53 0.00 0.00 57.97 61.13 3dkw h PHE 226 Cb 0.81 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.53 3dkw h PHE 226 CO 0.00 1.67 0.00 0.39 -2.23 0.00 0.00 178.31 178.14