#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pkf n PHE 15 N 0.00 0.00 -3.49 0.00 0.99 -1.26 -4.83 117.46 108.87 1pkf n PHE 15 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 57.45 57.03 1pkf n PHE 15 Cb 0.00 0.00 -0.08 0.00 -1.00 0.00 0.00 39.48 38.40 1pkf n PHE 15 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.76 177.10 1pkf s ASP 16 N -2.44 5.88 -0.33 4.37 2.15 -1.26 -5.05 116.67 119.99 1pkf s ASP 16 Ca 0.00 -1.52 -0.02 0.00 0.43 0.00 0.00 52.55 51.44 1pkf s ASP 16 Cb 0.00 -2.08 0.07 0.00 -0.30 0.00 0.00 42.92 40.60 1pkf s ASP 16 CO 0.00 -0.63 0.06 0.12 -0.17 0.00 0.00 175.17 174.55 1pkf s PHE 17 N 1.51 3.37 -0.49 -5.34 5.36 -1.26 -4.95 117.98 116.18 1pkf s PHE 17 Ca 0.04 -2.04 0.06 0.00 -0.96 0.00 0.00 56.93 54.02 1pkf s PHE 17 Cb -0.25 -2.43 0.20 0.00 -0.34 0.00 0.00 43.02 40.21 1pkf s PHE 17 CO 0.03 -0.85 0.47 1.63 -1.46 0.00 0.00 175.22 175.05 1pkf n LYS 18 N 4.61 0.94 0.00 10.12 5.02 -1.26 -4.98 118.16 132.61 1pkf n LYS 18 Ca -0.10 -3.63 0.10 0.00 -2.02 0.00 0.00 58.31 52.67 1pkf n LYS 18 Cb 0.43 -1.73 0.55 0.00 -0.02 0.00 0.00 35.03 34.25 1pkf n LYS 18 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1pkf n PRO 19 N 2.02 0.44 -0.04 1.97 -0.04 -1.26 -2.15 135.00 135.94 1pkf n PRO 19 Ca 0.26 0.06 0.06 0.00 -0.04 0.00 0.00 63.50 63.83 1pkf n PRO 19 Cb 0.46 -1.50 0.07 0.00 -0.04 0.00 0.00 33.50 32.49 1pkf n PRO 19 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1pkf n PHE 20 N -1.16 0.10 -1.76 0.54 3.01 -1.26 -4.75 117.46 112.18 1pkf n PHE 20 Ca 0.12 -0.11 -0.41 0.00 1.01 0.00 0.00 57.45 58.06 1pkf n PHE 20 Cb 0.12 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 39.59 1pkf n PHE 20 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1pkf n ALA 21 N 0.63 2.09 -1.67 4.37 0.00 -0.91 -4.94 120.51 120.07 1pkf n ALA 21 Ca 0.08 0.33 -0.44 0.00 0.00 0.00 0.00 53.44 53.41 1pkf n ALA 21 Cb 0.32 -2.38 -0.01 0.00 0.00 0.00 0.00 19.45 17.37 1pkf n ALA 21 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1pkf n PRO 22 N 0.33 1.92 0.00 0.00 -0.01 -1.26 -2.36 135.00 133.62 1pkf n PRO 22 Ca 0.03 0.68 0.00 0.00 -0.01 0.00 0.00 63.50 64.19 1pkf n PRO 22 Cb 0.39 -2.23 0.00 0.00 -0.01 0.00 0.00 33.50 31.65 1pkf n PRO 22 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 1pkf n GLY 23 N 1.22 3.23 0.22 -1.23 0.00 -1.26 -4.92 105.19 102.45 1pkf n GLY 23 Ca 0.08 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.99 1pkf n GLY 23 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1pkf h TYR 24 N 0.00 0.79 -0.36 1.61 3.20 -1.73 -2.14 116.97 118.33 1pkf h TYR 24 Ca 0.00 -0.14 -0.15 0.00 3.14 0.00 0.00 58.73 61.58 1pkf h TYR 24 Cb 0.00 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.06 1pkf h TYR 24 CO 0.00 0.79 -0.37 0.00 -1.64 0.00 0.00 178.16 176.94 1pkf h ALA 25 N 0.89 0.65 -0.64 1.82 0.00 -1.85 0.12 119.26 120.24 1pkf h ALA 25 Ca 0.12 -0.45 0.07 0.00 0.00 0.00 0.00 54.91 54.65 1pkf h ALA 25 Cb 0.48 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.09 1pkf h ALA 25 CO 0.02 0.67 0.32 1.49 0.00 0.00 0.00 179.25 181.76 1pkf h GLU 26 N 0.71 0.57 -1.08 0.00 4.81 -1.93 -3.41 114.58 114.25 1pkf h GLU 26 Ca 0.06 -0.03 -0.15 0.00 -0.13 0.00 0.00 59.36 59.11 1pkf h GLU 26 Cb 0.95 -0.13 -0.18 0.00 0.63 0.00 0.00 28.75 30.02 1pkf h GLU 26 CO 0.09 0.37 -0.50 0.34 -0.73 0.00 0.00 179.01 178.58 1pkf s ASP 27 N -5.51 -1.30 0.00 1.04 -1.08 -0.81 -5.01 116.67 104.00 1pkf s ASP 27 Ca -0.13 -1.55 0.29 0.00 -0.52 0.00 0.00 52.55 50.64 1pkf s ASP 27 Cb 0.16 1.79 1.22 0.00 -1.46 0.00 0.00 42.92 44.63 1pkf s ASP 27 CO 0.75 -0.09 1.88 -0.81 0.52 0.00 0.00 175.17 177.43 1pkf n PRO 28 N 3.33 0.24 -0.08 4.34 -0.04 0.39 -4.51 135.00 138.67 1pkf n PRO 28 Ca 0.17 -0.04 -0.12 0.00 -0.04 0.00 0.00 63.50 63.46 1pkf n PRO 28 Cb 0.56 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.47 1pkf n PRO 28 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 1pkf h PHE 29 N 0.11 0.54 -0.25 0.54 -1.00 -1.95 -2.44 116.94 112.49 1pkf h PHE 29 Ca 0.00 -0.13 0.06 0.00 2.81 0.00 0.00 57.97 60.71 1pkf h PHE 29 Cb 0.42 -0.13 -0.06 0.00 3.61 0.00 0.00 35.95 39.79 1pkf h PHE 29 CO 0.00 0.74 -0.17 -1.35 -1.61 0.00 0.00 178.31 175.92 1pkf h PRO 30 N 0.19 -0.15 -0.40 1.51 0.11 -2.00 0.10 132.00 131.35 1pkf h PRO 30 Ca 0.05 0.01 0.07 0.00 0.11 0.00 0.00 66.00 66.25 1pkf h PRO 30 Cb 0.59 0.04 -0.06 0.00 0.11 0.00 0.00 31.00 31.67 1pkf h PRO 30 CO 0.03 -0.10 0.01 0.00 -0.21 0.00 0.00 178.00 177.72 1pkf h ALA 31 N 0.99 0.38 0.00 -0.75 0.00 -1.82 -2.28 119.26 115.77 1pkf h ALA 31 Ca 0.14 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1pkf h ALA 31 Cb 0.37 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1pkf h ALA 31 CO -0.35 -0.39 -0.21 -0.84 0.00 0.00 0.00 179.25 177.46 1pkf h ILE 32 N 0.11 0.00 -0.30 0.00 3.07 -1.18 -2.62 117.51 116.59 1pkf h ILE 32 Ca 0.20 -0.83 -0.07 0.00 1.55 0.00 0.00 64.86 65.70 1pkf h ILE 32 Cb 0.28 1.72 -0.01 0.00 -0.27 0.00 0.00 36.82 38.54 1pkf h ILE 32 CO -0.33 0.00 -0.10 -0.08 -1.05 0.00 0.00 178.15 176.59 1pkf h GLU 33 N 0.00 0.60 -0.60 0.16 4.81 -0.77 0.21 114.58 118.99 1pkf h GLU 33 Ca 0.00 -0.24 0.12 0.00 -0.13 0.00 0.00 59.36 59.11 1pkf h GLU 33 Cb 0.92 -0.03 -0.10 0.00 0.63 0.00 0.00 28.75 30.17 1pkf h GLU 33 CO 0.00 0.80 0.05 -0.09 -0.73 0.00 0.00 179.01 179.04 1pkf h ARG 34 N 0.36 0.16 -0.13 1.92 2.43 -1.30 0.47 114.38 118.29 1pkf h ARG 34 Ca 0.07 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.19 1pkf h ARG 34 Cb 0.60 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 30.11 1pkf h ARG 34 CO 0.03 0.11 -0.10 -0.07 -1.51 0.00 0.00 179.97 178.43 1pkf h LEU 35 N 0.17 0.31 -0.16 3.80 3.38 -1.23 -2.42 115.31 119.16 1pkf h LEU 35 Ca 0.32 -0.46 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 1pkf h LEU 35 Cb 0.50 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 1pkf h LEU 35 CO -0.47 0.70 0.05 -0.09 0.09 0.00 0.00 178.44 178.72 1pkf h ARG 36 N -0.08 0.25 -0.62 1.13 2.43 0.26 -1.14 114.38 116.62 1pkf h ARG 36 Ca 0.02 -0.05 0.05 0.00 -0.81 0.00 0.00 59.98 59.19 1pkf h ARG 36 Cb 0.60 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 30.08 1pkf h ARG 36 CO 0.03 0.37 0.41 0.93 -1.51 0.00 0.00 179.97 180.19 1pkf h GLU 37 N 0.09 0.64 0.00 0.20 5.08 -0.16 -3.10 114.58 117.33 1pkf h GLU 37 Ca 0.05 -0.04 -0.17 0.00 -1.00 0.00 0.00 59.36 58.20 1pkf h GLU 37 Cb 0.22 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.30 1pkf h GLU 37 CO -0.00 0.42 -0.92 0.00 -1.00 0.00 0.00 179.01 177.51 1pkf h ALA 38 N 1.65 0.56 -1.77 3.43 0.00 -1.03 -3.48 119.26 118.62 1pkf h ALA 38 Ca 0.26 -0.77 0.01 0.00 0.00 0.00 0.00 54.91 54.41 1pkf h ALA 38 Cb 0.19 -0.00 -0.21 0.00 0.00 0.00 0.00 17.79 17.76 1pkf h ALA 38 CO -0.07 0.98 0.37 -0.08 0.00 0.00 0.00 179.25 180.45 1pkf s THR 39 N -2.83 0.00 -0.78 0.00 -1.32 -0.47 -4.57 115.64 105.67 1pkf s THR 39 Ca 0.01 0.00 0.26 0.00 -1.21 0.00 0.00 61.69 60.75 1pkf s THR 39 Cb 0.09 -1.00 0.16 0.00 -1.51 0.00 0.00 72.50 70.24 1pkf s THR 39 CO 0.79 0.00 1.60 -0.81 -2.21 0.00 0.00 174.62 173.99 1pkf n PRO 40 N 0.94 0.20 -3.64 7.08 -0.04 -1.26 -4.27 135.00 134.01 1pkf n PRO 40 Ca -0.14 0.11 -0.14 0.00 -0.04 0.00 0.00 63.50 63.29 1pkf n PRO 40 Cb 0.57 -1.68 -0.07 0.00 -0.04 0.00 0.00 33.50 32.28 1pkf n PRO 40 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 1pkf s ILE 41 N -3.09 0.00 0.18 0.52 2.07 -1.26 -2.29 121.20 117.32 1pkf s ILE 41 Ca 0.10 -0.00 -0.14 0.00 -1.41 0.00 0.00 60.65 59.20 1pkf s ILE 41 Cb 0.14 -0.97 0.01 0.00 0.13 0.00 0.00 42.46 41.78 1pkf s ILE 41 CO 0.64 -0.00 0.41 0.72 -1.91 0.00 0.00 174.94 174.80 1pkf s PHE 42 N 0.33 0.10 -0.24 3.50 -0.12 -0.91 -4.87 117.98 115.77 1pkf s PHE 42 Ca -0.00 -0.45 -0.09 0.00 -0.05 0.00 0.00 56.93 56.34 1pkf s PHE 42 Cb -0.05 0.19 -0.04 0.00 -0.63 0.00 0.00 43.02 42.49 1pkf s PHE 42 CO 0.01 -0.82 0.11 -0.47 -0.05 0.00 0.00 175.22 174.00 1pkf s TYR 43 N -3.91 3.19 -0.55 3.49 5.04 -1.26 -0.15 117.35 123.20 1pkf s TYR 43 Ca 0.12 -0.08 -0.19 0.00 -2.44 0.00 0.00 57.07 54.48 1pkf s TYR 43 Cb 0.01 -2.23 0.08 0.00 0.35 0.00 0.00 41.96 40.17 1pkf s TYR 43 CO -0.02 -0.12 0.69 -0.46 -1.34 0.00 0.00 175.55 174.30 1pkf s TRP 44 N 1.22 2.99 0.10 4.97 -0.00 0.30 -4.96 118.94 123.57 1pkf s TRP 44 Ca 0.06 -0.68 -0.25 0.00 -0.00 0.00 0.00 56.10 55.22 1pkf s TRP 44 Cb -0.14 -3.79 -0.11 0.00 -0.00 0.00 0.00 33.47 29.43 1pkf s TRP 44 CO 0.05 -1.18 1.68 -0.44 -0.00 0.00 0.00 176.95 177.05 1pkf h ASP 45 N 9.12 -0.39 0.19 5.86 3.45 -1.95 0.12 116.42 132.81 1pkf h ASP 45 Ca -0.28 0.04 -0.03 0.00 0.43 0.00 0.00 57.03 57.19 1pkf h ASP 45 Cb 1.09 0.15 -0.00 0.00 -0.56 0.00 0.00 39.33 40.00 1pkf h ASP 45 CO 1.04 -0.21 -0.15 -0.08 -1.57 0.00 0.00 179.24 178.26 1pkf h GLU 46 N -0.29 0.00 -0.00 3.56 4.81 -1.95 -2.22 114.58 118.48 1pkf h GLU 46 Ca 0.02 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1pkf h GLU 46 Cb 0.30 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.68 1pkf h GLU 46 CO -0.07 0.15 -0.41 0.41 -0.73 0.00 0.00 179.01 178.37 1pkf n GLY 47 N -1.02 -1.22 3.82 1.92 0.00 -0.80 -4.70 105.19 103.19 1pkf n GLY 47 Ca -0.02 -0.32 -0.24 0.00 0.00 0.00 0.00 46.02 45.44 1pkf n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pkf n ARG 48 N -1.42 -4.44 -3.50 1.61 1.74 0.34 -4.93 116.66 106.07 1pkf n ARG 48 Ca 0.06 0.54 -0.10 0.00 -0.77 0.00 0.00 57.85 57.59 1pkf n ARG 48 Cb 0.33 -5.01 -0.03 0.00 -1.02 0.00 0.00 32.46 26.74 1pkf n ARG 48 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1pkf s SER 49 N -4.22 -0.41 0.41 0.55 1.04 -1.13 -4.41 113.70 105.53 1pkf s SER 49 Ca 0.10 0.08 -0.23 0.00 0.48 0.00 0.00 55.95 56.38 1pkf s SER 49 Cb -0.05 0.41 -0.09 0.00 0.10 0.00 0.00 66.02 66.39 1pkf s SER 49 CO 0.84 -0.64 1.02 0.26 0.98 0.00 0.00 173.24 175.71 1pkf s TRP 50 N -2.88 3.27 -0.12 5.02 0.52 -0.68 -0.54 118.94 123.54 1pkf s TRP 50 Ca 0.03 1.64 0.02 0.00 0.02 0.00 0.00 56.10 57.81 1pkf s TRP 50 Cb -0.01 -3.05 0.01 0.00 -1.15 0.00 0.00 33.47 29.27 1pkf s TRP 50 CO -0.07 -0.49 -0.18 0.08 0.02 0.00 0.00 176.95 176.31 1pkf s VAL 51 N -1.79 1.70 -0.19 4.03 1.01 0.79 0.07 120.40 126.01 1pkf s VAL 51 Ca 0.59 -0.76 -0.09 0.00 0.00 0.00 0.00 61.98 61.72 1pkf s VAL 51 Cb -0.19 -1.53 -0.05 0.00 0.00 0.00 0.00 36.38 34.62 1pkf s VAL 51 CO 0.24 0.48 0.11 -0.76 0.00 0.00 0.00 175.10 175.16 1pkf s LEU 52 N 0.95 4.07 -0.01 3.92 1.43 -0.23 -2.14 118.68 126.67 1pkf s LEU 52 Ca -0.06 0.18 0.17 0.00 -1.03 0.00 0.00 54.13 53.38 1pkf s LEU 52 Cb -0.15 -2.05 -0.21 0.00 0.03 0.00 0.00 46.19 43.82 1pkf s LEU 52 CO -0.02 0.18 0.61 0.35 0.23 0.00 0.00 176.35 177.70 1pkf n THR 53 N 3.53 0.00 -4.46 5.49 -2.24 -0.97 -1.53 114.28 114.10 1pkf n THR 53 Ca -0.16 -0.19 -0.30 0.00 -2.27 0.00 0.00 64.05 61.12 1pkf n THR 53 Cb 0.52 0.73 -0.12 0.00 -2.10 0.00 0.00 70.33 69.36 1pkf n THR 53 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1pkf s ARG 54 N -2.77 2.02 0.16 -0.78 0.52 -1.26 -3.57 118.95 113.27 1pkf s ARG 54 Ca 0.02 -1.03 -0.25 0.00 -0.52 0.00 0.00 55.73 53.95 1pkf s ARG 54 Cb 0.12 -2.21 0.02 0.00 0.52 0.00 0.00 34.95 33.41 1pkf s ARG 54 CO 0.70 0.52 1.58 -0.92 0.02 0.00 0.00 175.30 177.20 1pkf h TYR 55 N 4.13 -1.13 -0.15 -0.53 3.20 -1.89 -0.93 116.97 119.67 1pkf h TYR 55 Ca -0.49 0.07 -0.11 0.00 3.14 0.00 0.00 58.73 61.34 1pkf h TYR 55 Cb 1.16 0.55 -0.01 0.00 1.54 0.00 0.00 36.73 39.97 1pkf h TYR 55 CO 0.57 -0.42 -0.39 0.45 -1.64 0.00 0.00 178.16 176.73 1pkf h HIS 56 N -0.30 0.39 -0.21 -3.82 3.86 -1.96 0.35 115.15 113.45 1pkf h HIS 56 Ca 0.15 -0.10 -0.12 0.00 -1.16 0.00 0.00 60.37 59.14 1pkf h HIS 56 Cb 0.57 -0.09 -0.00 0.00 1.06 0.00 0.00 27.41 28.95 1pkf h HIS 56 CO -0.60 0.68 -0.35 -0.44 0.86 0.00 0.00 177.93 178.08 1pkf h ASP 57 N 0.28 0.68 -0.15 2.45 3.32 -1.93 -2.16 116.42 118.90 1pkf h ASP 57 Ca 0.03 -0.53 -0.00 0.00 0.02 0.00 0.00 57.03 56.55 1pkf h ASP 57 Cb 0.82 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 40.16 1pkf h ASP 57 CO 0.06 1.08 0.08 0.58 -1.72 0.00 0.00 179.24 179.33 1pkf h VAL 58 N 0.30 1.09 -0.68 -1.35 2.07 -0.36 -2.77 116.25 114.55 1pkf h VAL 58 Ca 0.02 -0.25 0.09 0.00 0.82 0.00 0.00 66.70 67.38 1pkf h VAL 58 Cb 0.94 0.99 -0.07 0.00 -1.52 0.00 0.00 31.29 31.63 1pkf h VAL 58 CO 0.08 0.09 0.32 -1.28 0.02 0.00 0.00 177.57 176.80 1pkf h SER 59 N 0.15 0.39 -0.32 0.57 0.87 -0.35 -2.91 113.55 111.96 1pkf h SER 59 Ca 0.05 0.07 -0.14 0.00 -1.23 0.00 0.00 61.79 60.54 1pkf h SER 59 Cb 0.07 0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.02 1pkf h SER 59 CO -0.01 0.22 -0.32 0.00 -0.53 0.00 0.00 176.83 176.19 1pkf h ALA 60 N 1.43 0.71 -0.10 6.23 0.00 -1.25 -3.02 119.26 123.25 1pkf h ALA 60 Ca 0.34 -0.42 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 1pkf h ALA 60 Cb 0.38 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1pkf h ALA 60 CO -0.28 0.66 -0.31 0.28 0.00 0.00 0.00 179.25 179.60 1pkf h VAL 61 N 0.71 1.26 -0.71 0.00 2.07 -1.30 0.19 116.25 118.47 1pkf h VAL 61 Ca 0.07 -1.22 0.10 0.00 0.82 0.00 0.00 66.70 66.48 1pkf h VAL 61 Cb 0.88 1.53 -0.08 0.00 -1.52 0.00 0.00 31.29 32.10 1pkf h VAL 61 CO 0.08 0.36 0.33 -0.26 0.02 0.00 0.00 177.57 178.10 1pkf h PHE 62 N 0.16 0.58 0.00 1.57 0.04 -1.42 -2.89 116.94 114.99 1pkf h PHE 62 Ca 0.02 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.82 1pkf h PHE 62 Cb 0.63 -0.15 0.00 0.00 2.20 0.00 0.00 35.95 38.63 1pkf h PHE 62 CO 0.01 0.18 -0.88 0.54 -0.60 0.00 0.00 178.31 177.56 1pkf n ARG 63 N -4.91 0.16 -2.55 1.51 5.12 -0.52 -4.76 116.66 110.72 1pkf n ARG 63 Ca 0.11 -0.00 -0.43 0.00 -1.93 0.00 0.00 57.85 55.60 1pkf n ARG 63 Cb 0.30 -1.55 -0.02 0.00 -1.16 0.00 0.00 32.46 30.03 1pkf n ARG 63 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 1pkf s ASP 64 N -3.52 6.84 0.00 0.55 3.68 0.56 -4.92 116.67 119.86 1pkf s ASP 64 Ca 0.06 1.14 0.30 0.00 2.13 0.00 0.00 52.55 56.18 1pkf s ASP 64 Cb 0.15 -2.54 1.41 0.00 -1.45 0.00 0.00 42.92 40.50 1pkf s ASP 64 CO 0.79 -0.94 2.00 -0.62 0.13 0.00 0.00 175.17 176.52 1pkf n GLU 65 N 7.01 0.36 0.00 4.34 4.71 -1.26 -2.25 120.64 133.56 1pkf n GLU 65 Ca 0.13 -0.02 0.03 0.00 -0.01 0.00 0.00 57.16 57.29 1pkf n GLU 65 Cb 0.47 -1.50 0.16 0.00 -1.01 0.00 0.00 31.44 29.56 1pkf n GLU 65 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 1pkf n ARG 66 N -1.30 0.03 -4.15 3.49 1.74 -1.26 -4.62 116.66 110.59 1pkf n ARG 66 Ca 0.13 0.33 -0.33 0.00 -0.77 0.00 0.00 57.85 57.21 1pkf n ARG 66 Cb 0.27 -1.50 -0.16 0.00 -1.02 0.00 0.00 32.46 30.05 1pkf n ARG 66 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1pkf s PHE 67 N -2.88 2.78 0.34 -1.55 0.40 -0.95 -0.68 117.98 115.43 1pkf s PHE 67 Ca 0.04 -1.60 0.02 0.00 -0.60 0.00 0.00 56.93 54.79 1pkf s PHE 67 Cb 0.05 -1.92 -0.02 0.00 0.51 0.00 0.00 43.02 41.63 1pkf s PHE 67 CO 0.12 -0.79 0.52 0.00 0.70 0.00 0.00 175.22 175.78 1pkf s ALA 68 N 1.26 3.81 -0.14 5.36 0.00 0.38 -4.79 121.76 127.64 1pkf s ALA 68 Ca 0.04 -1.06 0.01 0.00 0.00 0.00 0.00 51.96 50.95 1pkf s ALA 68 Cb -0.13 -1.99 -0.24 0.00 0.00 0.00 0.00 23.12 20.77 1pkf s ALA 68 CO -0.12 -0.02 0.28 0.28 0.00 0.00 0.00 175.76 176.18 1pkf n VAL 69 N -1.74 1.66 -1.70 0.00 0.31 -1.26 -0.60 118.33 115.00 1pkf n VAL 69 Ca -0.04 -0.69 -0.42 0.00 -0.01 0.00 0.00 64.34 63.18 1pkf n VAL 69 Cb 0.57 -1.42 -0.03 0.00 -0.91 0.00 0.00 33.84 32.05 1pkf n VAL 69 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1pkf n SER 70 N -3.28 4.00 0.07 4.52 2.88 -1.04 -4.81 113.62 115.96 1pkf n SER 70 Ca -0.32 1.01 0.08 0.00 -1.33 0.00 0.00 58.87 58.31 1pkf n SER 70 Cb 1.05 -1.55 0.37 0.00 -0.75 0.00 0.00 64.21 63.33 1pkf n SER 70 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1pkf n ARG 71 N 5.21 0.09 0.25 -1.46 3.00 -1.26 -1.59 116.66 120.90 1pkf n ARG 71 Ca 0.18 0.39 0.16 0.00 -0.01 0.00 0.00 57.85 58.57 1pkf n ARG 71 Cb 0.36 -1.69 0.60 0.00 0.00 0.00 0.00 32.46 31.73 1pkf n ARG 71 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 1pkf h GLU 72 N 0.00 0.00 0.00 5.56 5.08 -1.91 -2.20 114.58 121.11 1pkf h GLU 72 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1pkf h GLU 72 Cb 0.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.48 1pkf h GLU 72 CO 0.00 0.00 0.00 0.39 -1.00 0.00 0.00 179.01 178.40 1pkf n GLU 73 N -2.99 0.10 -2.37 2.33 -0.58 -0.62 -4.81 120.64 111.70 1pkf n GLU 73 Ca 0.01 0.19 -0.38 0.00 -0.42 0.00 0.00 57.16 56.56 1pkf n GLU 73 Cb 0.33 -1.64 -0.03 0.00 -0.57 0.00 0.00 31.44 29.53 1pkf n GLU 73 CO 0.00 0.00 0.00 -0.46 -0.48 0.00 0.00 177.13 176.19 1pkf s TRP 74 N -3.08 3.18 0.32 -0.32 -0.00 -0.83 -4.10 118.94 114.12 1pkf s TRP 74 Ca 0.10 1.59 0.36 0.00 -0.00 0.00 0.00 56.10 58.15 1pkf s TRP 74 Cb 0.13 -3.33 1.93 0.00 -0.00 0.00 0.00 33.47 32.21 1pkf s TRP 74 CO 0.46 -1.08 2.11 1.05 -0.00 0.00 0.00 176.95 179.49 1pkf h GLU 75 N 2.80 0.00 -0.30 5.86 4.11 -1.14 -1.40 114.58 124.51 1pkf h GLU 75 Ca -0.48 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 58.89 1pkf h GLU 75 Cb 1.23 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.45 1pkf h GLU 75 CO 0.63 0.00 0.00 0.43 0.07 0.00 0.00 179.01 180.14 1pkf n SER 76 N -2.80 3.58 -0.28 3.06 7.64 -1.26 -4.75 113.62 118.81 1pkf n SER 76 Ca -0.02 -3.20 0.09 0.00 1.01 0.00 0.00 58.87 56.75 1pkf n SER 76 Cb 0.08 -0.57 0.24 0.00 -1.01 0.00 0.00 64.21 62.94 1pkf n SER 76 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 1pkf h SER 77 N 1.60 0.03 0.20 6.43 0.87 -1.46 -2.01 113.55 119.21 1pkf h SER 77 Ca 0.07 0.17 -0.01 0.00 -1.23 0.00 0.00 61.79 60.78 1pkf h SER 77 Cb 1.53 0.22 0.00 0.00 -0.44 0.00 0.00 62.40 63.72 1pkf h SER 77 CO 0.28 -0.08 -0.10 0.00 -0.53 0.00 0.00 176.83 176.41 1pkf h ALA 78 N 1.69 -0.27 -0.55 6.23 0.00 -1.85 -0.06 119.26 124.45 1pkf h ALA 78 Ca 0.48 -0.07 0.08 0.00 0.00 0.00 0.00 54.91 55.40 1pkf h ALA 78 Cb 0.90 0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.73 1pkf h ALA 78 CO -0.57 -0.63 0.20 1.49 0.00 0.00 0.00 179.25 179.73 1pkf h GLU 79 N -0.30 0.37 -0.39 0.00 4.22 -1.91 -2.36 114.58 114.22 1pkf h GLU 79 Ca -0.03 -0.02 -0.04 0.00 0.08 0.00 0.00 59.36 59.35 1pkf h GLU 79 Cb 0.23 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 1pkf h GLU 79 CO 0.05 0.25 0.10 -0.92 -2.18 0.00 0.00 179.01 176.30 1pkf h TYR 80 N 0.38 0.65 0.00 0.92 3.20 -0.85 -2.74 116.97 118.53 1pkf h TYR 80 Ca 0.27 -0.08 -0.05 0.00 3.14 0.00 0.00 58.73 62.01 1pkf h TYR 80 Cb 0.30 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.39 1pkf h TYR 80 CO -0.16 0.63 -0.23 0.77 -1.64 0.00 0.00 178.16 177.52 1pkf h SER 81 N 0.48 0.00 1.13 -2.11 0.02 -0.89 -2.85 113.55 109.33 1pkf h SER 81 Ca 0.12 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.93 1pkf h SER 81 Cb 0.30 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.82 1pkf h SER 81 CO 0.00 0.23 -0.69 0.77 -1.14 0.00 0.00 176.83 176.01 1pkf h SER 82 N 0.00 0.00 -3.87 3.07 4.64 -1.28 -3.43 113.55 112.68 1pkf h SER 82 Ca -0.00 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 60.80 1pkf h SER 82 Cb 0.48 0.00 0.05 0.00 -0.31 0.00 0.00 62.40 62.62 1pkf h SER 82 CO 0.03 0.69 0.56 0.00 -0.87 0.00 0.00 176.83 177.24 1pkf s ALA 83 N -3.02 3.42 -0.87 5.18 0.00 -1.05 -3.78 121.76 121.64 1pkf s ALA 83 Ca 0.02 1.10 -0.05 0.00 0.00 0.00 0.00 51.96 53.03 1pkf s ALA 83 Cb 0.09 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 19.80 1pkf s ALA 83 CO 0.77 -0.47 0.63 -0.89 0.00 0.00 0.00 175.76 175.80 1pkf n ILE 84 N 0.82 -4.42 0.32 0.00 2.08 -1.26 -4.82 119.36 112.09 1pkf n ILE 84 Ca 0.00 -0.15 0.20 0.00 0.56 0.00 0.00 62.75 63.36 1pkf n ILE 84 Cb 0.43 -3.53 1.10 0.00 -0.75 0.00 0.00 39.64 36.89 1pkf n ILE 84 CO 0.00 0.00 0.00 1.55 0.56 0.00 0.00 176.55 178.66 1pkf h PRO 85 N -0.49 0.00 -0.18 0.38 0.13 -1.83 0.35 132.00 130.35 1pkf h PRO 85 Ca -0.55 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 64.63 1pkf h PRO 85 Cb 1.34 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.46 1pkf h PRO 85 CO 0.38 0.00 0.24 0.93 -0.23 0.00 0.00 178.00 179.32 1pkf h GLU 86 N 0.00 0.00 -0.55 0.86 3.07 -1.94 -1.92 114.58 114.10 1pkf h GLU 86 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1pkf h GLU 86 Cb 0.02 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.93 1pkf h GLU 86 CO 0.00 0.00 0.00 1.28 -1.40 0.00 0.00 179.01 178.89 1pkf n LEU 87 N -3.65 3.90 -0.14 1.33 4.77 0.11 -4.65 117.00 118.68 1pkf n LEU 87 Ca 0.02 -2.23 -0.08 0.00 -0.03 0.00 0.00 56.01 53.68 1pkf n LEU 87 Cb 0.35 -0.45 0.00 0.00 -2.33 0.00 0.00 43.42 41.00 1pkf n LEU 87 CO 0.26 0.83 1.00 -1.28 -1.33 0.00 0.00 177.39 176.86 1pkf h SER 88 N 3.32 0.53 -0.27 -1.43 0.87 -1.43 -1.76 113.55 113.39 1pkf h SER 88 Ca 0.00 -0.09 0.05 0.00 -1.23 0.00 0.00 61.79 60.52 1pkf h SER 88 Cb 1.10 -0.14 -0.05 0.00 -0.44 0.00 0.00 62.40 62.88 1pkf h SER 88 CO 0.09 0.47 -0.03 0.44 -0.53 0.00 0.00 176.83 177.27 1pkf h ASP 89 N 0.56 -0.16 -0.37 6.23 3.45 -1.82 -1.19 116.42 123.11 1pkf h ASP 89 Ca 0.15 0.07 0.03 0.00 0.43 0.00 0.00 57.03 57.71 1pkf h ASP 89 Cb 0.05 0.13 -0.02 0.00 -0.56 0.00 0.00 39.33 38.93 1pkf h ASP 89 CO -0.02 -0.05 0.25 -0.03 -1.57 0.00 0.00 179.24 177.81 1pkf h MET 90 N 0.05 0.37 0.04 3.56 4.05 -1.77 0.11 114.93 121.33 1pkf h MET 90 Ca 0.13 -0.02 -0.22 0.00 -0.28 0.00 0.00 59.70 59.30 1pkf h MET 90 Cb 0.18 -0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 30.88 1pkf h MET 90 CO -0.24 0.24 -1.01 0.87 0.23 0.00 0.00 176.91 177.00 1pkf h LYS 91 N 0.38 0.15 0.11 0.39 1.57 -0.77 -1.53 116.57 116.86 1pkf h LYS 91 Ca 0.15 -0.21 -0.27 0.00 -1.87 0.00 0.00 60.65 58.45 1pkf h LYS 91 Cb 0.14 0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.51 1pkf h LYS 91 CO -0.03 1.04 -1.38 -0.22 -0.57 0.00 0.00 179.45 178.29 1pkf h LYS 92 N 0.06 0.23 -0.23 3.15 3.64 -0.57 -3.30 116.57 119.55 1pkf h LYS 92 Ca -0.06 -0.39 0.00 0.00 -1.27 0.00 0.00 60.65 58.93 1pkf h LYS 92 Cb 1.71 0.15 0.00 0.00 -0.41 0.00 0.00 32.23 33.68 1pkf h LYS 92 CO 0.15 1.19 0.00 0.66 -2.27 0.00 0.00 179.45 179.18 1pkf n TYR 93 N -3.95 0.29 -2.20 1.91 4.02 0.34 -3.29 117.16 114.27 1pkf n TYR 93 Ca -0.25 -0.21 -0.27 0.00 -0.01 0.00 0.00 57.90 57.16 1pkf n TYR 93 Cb 0.88 -0.01 0.16 0.00 -0.02 0.00 0.00 39.34 40.36 1pkf n TYR 93 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 1pkf s GLY 94 N -1.22 1.78 0.48 2.72 0.00 -0.57 -4.47 107.32 106.04 1pkf s GLY 94 Ca 0.26 -1.47 0.25 0.00 0.00 0.00 0.00 44.72 43.75 1pkf s GLY 94 CO 0.22 -0.76 1.96 1.41 0.00 0.00 0.00 173.10 175.93 1pkf h LEU 95 N -1.24 0.00 -0.02 0.66 3.38 -1.88 -2.33 115.31 113.88 1pkf h LEU 95 Ca -0.41 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.36 1pkf h LEU 95 Cb 1.24 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.96 1pkf h LEU 95 CO 0.37 0.18 -0.96 -0.26 0.09 0.00 0.00 178.44 177.86 1pkf h PHE 96 N 0.00 0.00 0.00 1.13 0.05 -1.89 -3.37 116.94 112.86 1pkf h PHE 96 Ca -0.00 0.00 -0.29 0.00 3.82 0.00 0.00 57.97 61.50 1pkf h PHE 96 Cb 0.51 0.00 -0.05 0.00 2.00 0.00 0.00 35.95 38.41 1pkf h PHE 96 CO 0.00 0.96 -1.83 0.41 -0.18 0.00 0.00 178.31 177.67 1pkf n GLY 97 N 1.31 -1.02 3.70 -1.45 0.00 -0.92 -2.50 105.19 104.31 1pkf n GLY 97 Ca 0.00 -0.12 -0.41 0.00 0.00 0.00 0.00 46.02 45.49 1pkf n GLY 97 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1pkf n LEU 98 N -2.95 4.01 -4.75 0.99 4.77 -0.97 -4.78 117.00 113.32 1pkf n LEU 98 Ca -0.20 1.10 -0.33 0.00 -0.03 0.00 0.00 56.01 56.56 1pkf n LEU 98 Cb 1.05 -1.50 0.07 0.00 -2.33 0.00 0.00 43.42 40.71 1pkf n LEU 98 CO 0.44 -0.68 0.74 -2.84 -1.33 0.00 0.00 177.39 173.72 1pkf s PRO 99 N -2.22 2.46 0.42 3.23 0.02 -1.26 -4.61 135.00 133.04 1pkf s PRO 99 Ca 0.61 1.43 0.15 0.00 0.02 0.00 0.00 61.00 63.22 1pkf s PRO 99 Cb -0.51 -1.90 1.03 0.00 0.02 0.00 0.00 34.50 33.14 1pkf s PRO 99 CO 0.58 -1.52 1.90 -1.35 -0.33 0.00 0.00 177.00 176.27 1pkf h PRO 100 N -0.36 0.44 0.05 5.54 0.11 -1.98 0.38 132.00 136.18 1pkf h PRO 100 Ca -0.46 -0.03 -0.23 0.00 0.11 0.00 0.00 66.00 65.39 1pkf h PRO 100 Cb 1.25 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.26 1pkf h PRO 100 CO 0.52 0.29 -1.04 0.93 -0.21 0.00 0.00 178.00 178.49 1pkf h GLU 101 N 0.45 0.26 -0.30 1.05 4.39 -1.99 -0.37 114.58 118.07 1pkf h GLU 101 Ca 0.40 -0.35 -0.14 0.00 0.34 0.00 0.00 59.36 59.62 1pkf h GLU 101 Cb 0.91 0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.67 1pkf h GLU 101 CO -0.14 1.10 -0.39 -0.44 -1.16 0.00 0.00 179.01 177.98 1pkf h ASP 102 N 0.12 0.74 -0.45 1.42 3.32 -1.51 -2.83 116.42 117.22 1pkf h ASP 102 Ca -0.08 -0.33 -0.05 0.00 0.02 0.00 0.00 57.03 56.58 1pkf h ASP 102 Cb 1.72 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 41.05 1pkf h ASP 102 CO 0.17 1.04 0.07 -0.74 -1.72 0.00 0.00 179.24 178.06 1pkf h HIS 103 N 0.58 0.80 -0.67 4.55 2.76 -0.75 -1.61 115.15 120.80 1pkf h HIS 103 Ca 0.05 -0.11 0.01 0.00 -2.20 0.00 0.00 60.37 58.12 1pkf h HIS 103 Cb 0.92 -0.22 -0.03 0.00 1.55 0.00 0.00 27.41 29.63 1pkf h HIS 103 CO 0.04 0.75 0.45 0.00 -1.30 0.00 0.00 177.93 177.87 1pkf h ALA 104 N 0.95 0.85 0.31 5.26 0.00 -1.08 -1.12 119.26 124.43 1pkf h ALA 104 Ca 0.14 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1pkf h ALA 104 Cb 0.39 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1pkf h ALA 104 CO 0.01 0.28 -0.23 -0.09 0.00 0.00 0.00 179.25 179.22 1pkf h ARG 105 N 0.91 -0.52 -0.37 0.00 2.43 -1.34 0.12 114.38 115.60 1pkf h ARG 105 Ca 0.25 0.04 0.02 0.00 -0.81 0.00 0.00 59.98 59.47 1pkf h ARG 105 Cb -0.10 0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.54 1pkf h ARG 105 CO -0.05 -0.35 0.22 0.28 -1.51 0.00 0.00 179.97 178.56 1pkf h VAL 106 N -0.54 1.04 -0.66 0.20 2.07 -1.12 -2.51 116.25 114.73 1pkf h VAL 106 Ca -0.03 -0.15 0.01 0.00 0.82 0.00 0.00 66.70 67.35 1pkf h VAL 106 Cb 0.46 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 30.75 1pkf h VAL 106 CO 0.00 0.08 0.43 0.03 0.02 0.00 0.00 177.57 178.14 1pkf h ARG 107 N 0.45 0.86 -0.95 1.57 2.47 -1.06 -2.46 114.38 115.26 1pkf h ARG 107 Ca 0.15 -0.05 0.08 0.00 -1.26 0.00 0.00 59.98 58.89 1pkf h ARG 107 Cb 0.00 -0.19 -0.07 0.00 -1.65 0.00 0.00 29.97 28.06 1pkf h ARG 107 CO -0.07 0.57 0.62 -0.22 0.56 0.00 0.00 179.97 181.42 1pkf h LYS 108 N 0.88 1.03 -0.06 0.04 3.64 -0.38 -0.33 116.57 121.39 1pkf h LYS 108 Ca 0.24 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.56 1pkf h LYS 108 Cb -0.09 -0.23 -0.00 0.00 -0.41 0.00 0.00 32.23 31.50 1pkf h LYS 108 CO -0.06 0.68 0.02 1.25 -2.27 0.00 0.00 179.45 179.07 1pkf h LEU 109 N 1.06 0.09 0.00 5.20 5.85 -1.04 -3.34 115.31 123.13 1pkf h LEU 109 Ca 0.42 -0.22 -0.13 0.00 0.84 0.00 0.00 57.88 58.80 1pkf h LEU 109 Cb 0.25 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 1pkf h LEU 109 CO -0.17 0.28 -1.52 0.55 -0.34 0.00 0.00 178.44 177.24 1pkf n VAL 110 N -4.92 0.92 -0.26 1.05 3.14 -0.99 -4.41 118.33 112.86 1pkf n VAL 110 Ca -0.07 -0.65 0.05 0.00 -2.96 0.00 0.00 64.34 60.72 1pkf n VAL 110 Cb 0.14 -0.52 0.19 0.00 -1.06 0.00 0.00 33.84 32.58 1pkf n VAL 110 CO 0.00 0.00 0.00 0.78 -6.46 0.00 0.00 176.83 171.15 1pkf h ASN 111 N 0.00 0.31 -0.72 6.55 2.35 -1.19 -0.58 115.58 122.30 1pkf h ASN 111 Ca -0.15 0.11 0.19 0.00 -0.55 0.00 0.00 56.30 55.89 1pkf h ASN 111 Cb 1.45 0.08 -0.04 0.00 0.05 0.00 0.00 38.32 39.86 1pkf h ASN 111 CO 0.03 0.12 0.50 -0.65 -1.65 0.00 0.00 177.43 175.78 1pkf h PRO 112 N 0.47 0.14 0.00 0.81 0.11 -1.77 -0.25 132.00 131.51 1pkf h PRO 112 Ca 0.42 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.52 1pkf h PRO 112 Cb 0.62 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.70 1pkf h PRO 112 CO -0.39 0.09 0.00 0.43 -0.21 0.00 0.00 178.00 177.92 1pkf n SER 113 N -4.39 0.00 -0.56 -2.05 7.64 -0.23 -3.56 113.62 110.47 1pkf n SER 113 Ca 0.14 0.42 0.05 0.00 1.01 0.00 0.00 58.87 60.49 1pkf n SER 113 Cb 0.69 -0.47 0.14 0.00 -1.01 0.00 0.00 64.21 63.56 1pkf n SER 113 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1pkf n PHE 114 N -1.47 0.42 -1.27 1.43 3.01 -0.11 -4.49 117.46 114.97 1pkf n PHE 114 Ca 0.06 -0.52 -0.30 0.00 1.01 0.00 0.00 57.45 57.70 1pkf n PHE 114 Cb 0.25 -0.04 0.12 0.00 -0.01 0.00 0.00 39.48 39.80 1pkf n PHE 114 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 1pkf s THR 115 N -1.09 2.88 0.29 4.37 -4.23 -1.22 -4.52 115.64 112.12 1pkf s THR 115 Ca 0.21 0.28 0.04 0.00 -1.18 0.00 0.00 61.69 61.04 1pkf s THR 115 Cb 0.11 -2.81 0.29 0.00 1.34 0.00 0.00 72.50 71.43 1pkf s THR 115 CO 0.13 -0.37 1.79 -1.28 -0.54 0.00 0.00 174.62 174.35 1pkf h SER 116 N -1.38 0.79 -0.05 3.99 0.87 -1.94 -1.17 113.55 114.65 1pkf h SER 116 Ca -0.48 0.09 -0.01 0.00 -1.23 0.00 0.00 61.79 60.15 1pkf h SER 116 Cb 1.27 -0.06 -0.00 0.00 -0.44 0.00 0.00 62.40 63.17 1pkf h SER 116 CO 0.55 0.32 -0.02 -0.09 -0.53 0.00 0.00 176.83 177.06 1pkf h ARG 117 N 0.80 0.10 -0.56 2.24 2.43 -1.96 -2.09 114.38 115.35 1pkf h ARG 117 Ca 0.55 -0.04 0.02 0.00 -0.81 0.00 0.00 59.98 59.70 1pkf h ARG 117 Cb 0.77 -0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.28 1pkf h ARG 117 CO -0.35 0.47 0.34 0.00 -1.51 0.00 0.00 179.97 178.91 1pkf h ALA 118 N 0.63 0.71 0.00 2.80 0.00 -1.78 -2.97 119.26 118.65 1pkf h ALA 118 Ca 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1pkf h ALA 118 Cb 0.43 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1pkf h ALA 118 CO 0.01 0.06 0.00 0.44 0.00 0.00 0.00 179.25 179.76 1pkf n ILE 119 N -4.76 0.51 0.02 0.00 -5.35 -0.47 -3.28 119.36 106.03 1pkf n ILE 119 Ca 0.04 -0.10 0.20 0.00 -0.27 0.00 0.00 62.75 62.62 1pkf n ILE 119 Cb 0.07 -0.68 0.71 0.00 -1.74 0.00 0.00 39.64 38.01 1pkf n ILE 119 CO 0.00 0.00 0.00 -0.78 -1.76 0.00 0.00 176.55 174.01 1pkf h ASP 120 N 0.00 0.00 -0.03 7.28 3.58 -1.20 -0.28 116.42 125.76 1pkf h ASP 120 Ca 0.00 0.00 0.01 0.00 0.42 0.00 0.00 57.03 57.46 1pkf h ASP 120 Cb 0.59 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.64 1pkf h ASP 120 CO 0.00 0.00 0.07 -0.07 -2.88 0.00 0.00 179.24 176.36 1pkf h LEU 121 N 0.00 0.00 -0.01 2.28 -0.00 -1.73 -2.16 115.31 113.69 1pkf h LEU 121 Ca 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.12 1pkf h LEU 121 Cb 1.00 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.66 1pkf h LEU 121 CO -0.00 0.00 -0.12 0.18 -0.00 0.00 0.00 178.44 178.50 1pkf n LEU 122 N -3.41 0.14 -0.27 1.67 4.77 -0.11 -4.22 117.00 115.56 1pkf n LEU 122 Ca -0.02 0.34 0.05 0.00 -0.03 0.00 0.00 56.01 56.35 1pkf n LEU 122 Cb 0.15 -0.41 0.19 0.00 -2.33 0.00 0.00 43.42 41.02 1pkf n LEU 122 CO 0.23 0.03 1.08 -0.09 -1.33 0.00 0.00 177.39 177.31 1pkf h ARG 123 N 0.04 0.59 -0.23 3.23 2.43 -1.54 -1.64 114.38 117.26 1pkf h ARG 123 Ca 0.00 -0.04 -0.14 0.00 -0.81 0.00 0.00 59.98 58.99 1pkf h ARG 123 Cb 0.48 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.89 1pkf h ARG 123 CO 0.00 0.39 -0.40 0.00 -1.51 0.00 0.00 179.97 178.45 1pkf h ALA 124 N 1.51 0.36 -0.56 2.80 0.00 -1.84 -1.89 119.26 119.63 1pkf h ALA 124 Ca 0.41 -0.45 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 1pkf h ALA 124 Cb 0.53 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1pkf h ALA 124 CO -0.33 0.46 0.04 1.49 0.00 0.00 0.00 179.25 180.91 1pkf h GLU 125 N 0.38 0.97 -0.75 0.00 4.57 -1.74 -0.63 114.58 117.38 1pkf h GLU 125 Ca 0.01 -0.29 -0.01 0.00 -1.18 0.00 0.00 59.36 57.90 1pkf h GLU 125 Cb 1.00 -0.10 -0.04 0.00 -0.16 0.00 0.00 28.75 29.46 1pkf h GLU 125 CO 0.09 0.95 0.44 0.82 -1.18 0.00 0.00 179.01 180.13 1pkf h ILE 126 N 0.86 1.22 -0.49 2.32 2.04 -1.26 -0.23 117.51 121.97 1pkf h ILE 126 Ca 0.17 -0.51 -0.08 0.00 1.00 0.00 0.00 64.86 65.43 1pkf h ILE 126 Cb 0.49 0.20 -0.02 0.00 -0.74 0.00 0.00 36.82 36.74 1pkf h ILE 126 CO 0.02 0.23 -0.01 -0.61 0.00 0.00 0.00 178.15 177.78 1pkf h GLN 127 N 1.03 0.87 -0.41 2.37 5.75 -0.96 -0.88 115.11 122.88 1pkf h GLN 127 Ca 0.27 -0.28 0.05 0.00 -0.15 0.00 0.00 58.65 58.53 1pkf h GLN 127 Cb -0.01 -0.07 -0.05 0.00 1.07 0.00 0.00 27.48 28.42 1pkf h GLN 127 CO -0.05 0.92 0.14 -0.09 -2.65 0.00 0.00 178.83 177.09 1pkf h ARG 128 N 0.73 0.28 -0.29 1.69 2.43 -0.73 0.15 114.38 118.64 1pkf h ARG 128 Ca 0.14 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.28 1pkf h ARG 128 Cb 0.53 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.00 1pkf h ARG 128 CO 0.03 0.19 0.13 1.15 -1.51 0.00 0.00 179.97 179.96 1pkf h THR 129 N 0.29 1.16 -0.93 0.20 2.02 -0.52 -1.18 112.91 113.96 1pkf h THR 129 Ca 0.19 -0.48 0.05 0.00 0.77 0.00 0.00 66.41 66.94 1pkf h THR 129 Cb 0.18 0.93 -0.06 0.00 -1.74 0.00 0.00 68.15 67.46 1pkf h THR 129 CO -0.20 0.17 0.60 0.58 0.37 0.00 0.00 175.52 177.04 1pkf h VAL 130 N 0.34 1.11 -0.13 3.16 2.07 -1.00 -1.95 116.25 119.85 1pkf h VAL 130 Ca 0.10 -0.38 -0.01 0.00 0.82 0.00 0.00 66.70 67.23 1pkf h VAL 130 Cb 0.14 -0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 29.80 1pkf h VAL 130 CO -0.01 0.20 0.04 0.44 0.02 0.00 0.00 177.57 178.26 1pkf h ASP 131 N 1.12 0.18 0.74 0.57 3.45 -0.02 -2.71 116.42 119.76 1pkf h ASP 131 Ca 0.39 -0.20 -0.12 0.00 0.43 0.00 0.00 57.03 57.53 1pkf h ASP 131 Cb 0.09 -0.05 -0.02 0.00 -0.56 0.00 0.00 39.33 38.80 1pkf h ASP 131 CO -0.15 0.34 -0.56 0.06 -1.57 0.00 0.00 179.24 177.36 1pkf h GLN 132 N 0.02 0.00 -0.61 3.56 3.07 -1.02 -0.13 115.11 119.99 1pkf h GLN 132 Ca 0.04 0.00 -0.10 0.00 0.09 0.00 0.00 58.65 58.69 1pkf h GLN 132 Cb 0.22 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.76 1pkf h GLN 132 CO -0.00 0.56 0.01 -0.07 0.09 0.00 0.00 178.83 179.42 1pkf h LEU 133 N 0.00 1.05 -0.27 0.06 3.38 -1.35 -0.45 115.31 117.74 1pkf h LEU 133 Ca -0.01 -0.30 -0.20 0.00 0.09 0.00 0.00 57.88 57.47 1pkf h LEU 133 Cb 1.08 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.54 1pkf h LEU 133 CO 0.07 1.10 -0.89 -0.07 0.09 0.00 0.00 178.44 178.74 1pkf h LEU 134 N 0.98 0.21 0.22 1.67 3.38 -1.27 -3.06 115.31 117.44 1pkf h LEU 134 Ca 0.17 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1pkf h LEU 134 Cb 0.55 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1pkf h LEU 134 CO 0.03 0.99 -0.11 -0.78 0.09 0.00 0.00 178.44 178.66 1pkf h ASP 135 N 0.08 -0.26 0.54 -0.43 1.82 -0.85 -2.02 116.42 115.31 1pkf h ASP 135 Ca -0.04 -0.12 0.00 0.00 -0.39 0.00 0.00 57.03 56.48 1pkf h ASP 135 Cb 1.53 0.07 0.00 0.00 0.68 0.00 0.00 39.33 41.60 1pkf h ASP 135 CO 0.13 -0.03 0.00 0.00 -1.61 0.00 0.00 179.24 177.73 1pkf h ALA 136 N 0.25 1.00 0.00 -0.78 0.00 -1.12 -3.34 119.26 115.27 1pkf h ALA 136 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1pkf h ALA 136 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1pkf h ALA 136 CO 0.05 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.84 1pkf n ARG 137 N -2.67 0.17 0.00 0.00 1.74 -1.16 -4.85 116.66 109.89 1pkf n ARG 137 Ca -0.00 -0.02 0.07 0.00 -0.77 0.00 0.00 57.85 57.13 1pkf n ARG 137 Cb 0.19 -0.31 0.39 0.00 -1.02 0.00 0.00 32.46 31.70 1pkf n ARG 137 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1pkf n SER 138 N -0.03 0.00 -0.02 0.55 3.41 -0.76 -3.72 113.62 113.04 1pkf n SER 138 Ca 0.00 -1.07 -0.03 0.00 -0.26 0.00 0.00 58.87 57.51 1pkf n SER 138 Cb 0.13 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 63.95 1pkf n SER 138 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1pkf n GLY 139 N 0.38 -1.08 1.65 5.00 0.00 -1.26 -4.96 105.19 104.92 1pkf n GLY 139 Ca 0.10 -0.23 -0.14 0.00 0.00 0.00 0.00 46.02 45.75 1pkf n GLY 139 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1pkf n GLN 140 N -2.78 -1.61 0.02 1.61 3.00 -1.24 -5.01 117.38 111.37 1pkf n GLN 140 Ca -0.17 -0.84 -0.19 0.00 -0.01 0.00 0.00 57.00 55.78 1pkf n GLN 140 Cb 0.94 -0.72 -0.14 0.00 0.00 0.00 0.00 30.24 30.32 1pkf n GLN 140 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.06 177.99 1pkf h GLU 141 N 0.00 0.24 -5.69 -1.09 4.39 -1.93 -3.45 114.58 107.05 1pkf h GLU 141 Ca -0.19 -0.40 -0.58 0.00 0.34 0.00 0.00 59.36 58.52 1pkf h GLU 141 Cb 0.57 0.15 -0.09 0.00 -0.10 0.00 0.00 28.75 29.28 1pkf h GLU 141 CO 0.13 1.19 -0.07 -1.21 -1.16 0.00 0.00 179.01 177.89 1pkf s GLU 142 N -2.40 4.29 -0.17 2.33 0.41 -1.26 -4.75 118.70 117.15 1pkf s GLU 142 Ca -0.16 0.48 0.01 0.00 -0.41 0.00 0.00 54.97 54.89 1pkf s GLU 142 Cb 0.01 -3.49 0.03 0.00 -1.78 0.00 0.00 34.13 28.90 1pkf s GLU 142 CO 0.79 0.03 -0.14 0.12 -0.49 0.00 0.00 175.26 175.57 1pkf s PHE 143 N 1.05 2.34 -0.43 1.61 5.36 -1.15 -4.99 117.98 121.77 1pkf s PHE 143 Ca 0.26 -1.41 -0.17 0.00 -0.96 0.00 0.00 56.93 54.66 1pkf s PHE 143 Cb -0.15 -1.66 0.03 0.00 -0.34 0.00 0.00 43.02 40.90 1pkf s PHE 143 CO 0.11 -0.71 0.44 0.34 -1.46 0.00 0.00 175.22 173.93 1pkf s ASP 144 N 1.43 6.18 0.57 6.13 3.68 -1.26 -1.09 116.67 132.31 1pkf s ASP 144 Ca 0.03 -0.80 0.27 0.00 2.13 0.00 0.00 52.55 54.18 1pkf s ASP 144 Cb -0.14 -2.22 1.68 0.00 -1.45 0.00 0.00 42.92 40.79 1pkf s ASP 144 CO -0.10 -0.61 2.21 0.58 0.13 0.00 0.00 175.17 177.39 1pkf h VAL 145 N 5.73 0.62 0.00 1.11 2.07 -1.09 0.24 116.25 124.94 1pkf h VAL 145 Ca -0.27 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.18 1pkf h VAL 145 Cb 1.11 1.05 0.00 0.00 -1.52 0.00 0.00 31.29 31.93 1pkf h VAL 145 CO 0.81 0.02 0.00 0.52 0.02 0.00 0.00 177.57 178.94 1pkf n VAL 146 N -3.95 0.00 -0.26 2.57 0.31 -1.26 -0.55 118.33 115.20 1pkf n VAL 146 Ca -0.03 0.47 0.03 0.00 -0.01 0.00 0.00 64.34 64.80 1pkf n VAL 146 Cb 0.10 -1.40 0.26 0.00 -0.91 0.00 0.00 33.84 31.89 1pkf n VAL 146 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 1pkf h ARG 147 N 0.00 0.96 -0.01 5.55 2.43 -1.78 -1.20 114.38 120.34 1pkf h ARG 147 Ca 0.00 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 1pkf h ARG 147 Cb 0.00 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 29.33 1pkf h ARG 147 CO 0.00 0.64 -0.60 -0.25 -1.51 0.00 0.00 179.97 178.24 1pkf n ASP 148 N -4.46 1.25 0.00 -3.80 8.00 0.84 -4.71 116.55 113.66 1pkf n ASP 148 Ca 0.11 -1.01 0.00 0.00 0.71 0.00 0.00 54.79 54.60 1pkf n ASP 148 Cb 0.14 0.53 0.00 0.00 -0.02 0.00 0.00 41.12 41.78 1pkf n ASP 148 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1pkf n TYR 149 N -0.86 0.00 0.07 1.24 9.36 -1.07 -4.79 117.16 121.10 1pkf n TYR 149 Ca 0.08 0.00 0.02 0.00 3.32 0.00 0.00 57.90 61.32 1pkf n TYR 149 Cb 0.38 0.27 0.39 0.00 -0.63 0.00 0.00 39.34 39.75 1pkf n TYR 149 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1pkf h ALA 150 N 0.00 1.55 -0.22 2.98 0.00 -0.49 -2.40 119.26 120.69 1pkf h ALA 150 Ca 0.00 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.70 1pkf h ALA 150 Cb 0.00 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1pkf h ALA 150 CO 0.00 0.33 -0.16 0.93 0.00 0.00 0.00 179.25 180.35 1pkf h GLU 151 N 0.37 0.37 -0.04 0.00 5.08 -1.46 -2.55 114.58 116.33 1pkf h GLU 151 Ca 0.08 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1pkf h GLU 151 Cb 0.23 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1pkf h GLU 151 CO 0.00 0.52 0.00 0.41 -1.00 0.00 0.00 179.01 178.95 1pkf n GLY 152 N -0.68 -0.51 0.10 -3.84 0.00 -0.91 -4.55 105.19 94.81 1pkf n GLY 152 Ca -0.00 -0.27 -0.13 0.00 0.00 0.00 0.00 46.02 45.62 1pkf n GLY 152 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1pkf n ILE 153 N -0.40 1.50 -0.21 -0.61 5.41 -0.96 -4.35 119.36 119.74 1pkf n ILE 153 Ca 0.18 0.04 0.06 0.00 1.00 0.00 0.00 62.75 64.03 1pkf n ILE 153 Cb 0.19 -2.25 0.32 0.00 -0.71 0.00 0.00 39.64 37.19 1pkf n ILE 153 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 176.55 175.90 1pkf h PRO 154 N -1.00 0.80 -0.11 0.38 0.11 -1.80 -1.63 132.00 128.75 1pkf h PRO 154 Ca -0.15 -0.05 -0.18 0.00 0.11 0.00 0.00 66.00 65.73 1pkf h PRO 154 Cb 1.07 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 32.00 1pkf h PRO 154 CO -0.09 0.53 -0.69 1.98 -0.21 0.00 0.00 178.00 179.52 1pkf h MET 155 N 0.83 0.49 -0.58 1.05 4.05 -1.84 -2.13 114.93 116.79 1pkf h MET 155 Ca 0.33 -0.37 0.06 0.00 -0.28 0.00 0.00 59.70 59.43 1pkf h MET 155 Cb 0.23 0.07 -0.05 0.00 -0.80 0.00 0.00 31.60 31.05 1pkf h MET 155 CO -0.11 1.00 0.29 -0.09 0.23 0.00 0.00 176.91 178.23 1pkf h ARG 156 N 0.34 0.53 0.29 0.39 9.65 -1.51 0.56 114.38 124.64 1pkf h ARG 156 Ca -0.02 -0.03 -0.01 0.00 -1.10 0.00 0.00 59.98 58.81 1pkf h ARG 156 Cb 1.26 -0.12 0.00 0.00 -1.39 0.00 0.00 29.97 29.72 1pkf h ARG 156 CO 0.12 0.35 -0.15 0.00 2.80 0.00 0.00 179.97 183.09 1pkf h ALA 157 N 1.32 -0.41 -0.64 2.80 0.00 -1.31 -0.25 119.26 120.78 1pkf h ALA 157 Ca 0.26 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 1pkf h ALA 157 Cb 0.19 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 1pkf h ALA 157 CO -0.19 -0.73 0.37 0.82 0.00 0.00 0.00 179.25 179.52 1pkf h ILE 158 N -0.41 1.19 0.00 0.00 2.04 -1.14 -1.78 117.51 117.41 1pkf h ILE 158 Ca -0.04 -0.44 -0.02 0.00 1.00 0.00 0.00 64.86 65.36 1pkf h ILE 158 Cb 0.33 0.33 -0.00 0.00 -0.74 0.00 0.00 36.82 36.73 1pkf h ILE 158 CO 0.05 0.20 -0.11 0.28 0.00 0.00 0.00 178.15 178.57 1pkf h SER 159 N 0.87 0.00 -0.09 1.72 0.02 -0.72 -0.68 113.55 114.67 1pkf h SER 159 Ca 0.23 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 61.06 1pkf h SER 159 Cb -0.01 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.54 1pkf h SER 159 CO -0.04 0.11 -0.42 0.00 -1.14 0.00 0.00 176.83 175.34 1pkf h ALA 160 N 1.89 0.17 -0.64 3.77 0.00 -0.65 0.54 119.26 124.35 1pkf h ALA 160 Ca -0.00 -0.48 0.08 0.00 0.00 0.00 0.00 54.91 54.51 1pkf h ALA 160 Cb 0.21 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 1pkf h ALA 160 CO 0.01 0.29 0.42 1.25 0.00 0.00 0.00 179.25 181.23 1pkf h LEU 161 N -0.01 0.49 -1.06 0.00 5.85 -0.92 -1.92 115.31 117.74 1pkf h LEU 161 Ca -0.03 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.70 1pkf h LEU 161 Cb 1.06 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.00 1pkf h LEU 161 CO 0.09 0.31 -0.20 0.18 -0.34 0.00 0.00 178.44 178.47 1pkf n LEU 162 N -4.48 1.86 -3.52 2.25 4.77 -0.30 -4.47 117.00 113.11 1pkf n LEU 162 Ca 0.10 -0.62 -0.23 0.00 -0.03 0.00 0.00 56.01 55.23 1pkf n LEU 162 Cb 0.30 -0.03 0.05 0.00 -2.33 0.00 0.00 43.42 41.41 1pkf n LEU 162 CO 0.34 0.33 -0.03 0.29 -1.33 0.00 0.00 177.39 176.98 1pkf n LYS 163 N 0.16 -2.39 -4.61 3.23 4.76 0.07 -4.89 118.16 114.48 1pkf n LYS 163 Ca 0.13 0.65 -0.33 0.00 -2.87 0.00 0.00 58.31 55.89 1pkf n LYS 163 Cb 0.44 -4.99 -0.12 0.00 -1.84 0.00 0.00 35.03 28.52 1pkf n LYS 163 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1pkf s VAL 164 N -3.47 3.54 0.55 -0.18 1.01 0.17 -5.01 120.40 117.01 1pkf s VAL 164 Ca 0.37 -0.51 -0.21 0.00 0.00 0.00 0.00 61.98 61.64 1pkf s VAL 164 Cb -0.09 -2.49 -0.04 0.00 0.00 0.00 0.00 36.38 33.75 1pkf s VAL 164 CO 0.80 0.54 1.30 -2.16 0.00 0.00 0.00 175.10 175.59 1pkf s PRO 165 N -0.10 3.12 0.65 2.72 0.04 -1.26 -4.51 135.00 135.66 1pkf s PRO 165 Ca 0.00 2.08 0.40 0.00 0.04 0.00 0.00 61.00 63.53 1pkf s PRO 165 Cb -0.13 -2.17 2.24 0.00 0.04 0.00 0.00 34.50 34.47 1pkf s PRO 165 CO 0.03 -1.16 2.31 0.00 0.04 0.00 0.00 177.00 178.22 1pkf h ALA 166 N 1.33 1.16 0.00 8.56 0.00 -1.98 -1.11 119.26 127.22 1pkf h ALA 166 Ca -0.51 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.38 1pkf h ALA 166 Cb 1.30 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.08 1pkf h ALA 166 CO 0.57 -0.04 -0.11 1.49 0.00 0.00 0.00 179.25 181.16 1pkf h GLU 167 N 0.00 0.00 -0.11 0.00 4.81 -2.05 -2.09 114.58 115.14 1pkf h GLU 167 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1pkf h GLU 167 Cb 0.07 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.45 1pkf h GLU 167 CO -0.00 0.11 0.00 0.00 -0.73 0.00 0.00 179.01 178.39 1pkf h ASP 169 N 2.40 0.73 0.08 0.00 3.45 -1.51 -2.09 116.42 119.48 1pkf h ASP 169 Ca 0.00 -0.16 -0.12 0.00 0.43 0.00 0.00 57.03 57.18 1pkf h ASP 169 Cb 0.52 -0.19 -0.01 0.00 -0.56 0.00 0.00 39.33 39.09 1pkf h ASP 169 CO 0.00 0.69 -0.42 -0.08 -1.57 0.00 0.00 179.24 177.86 1pkf h GLU 170 N 0.73 0.43 -0.22 3.56 4.22 -1.80 -0.66 114.58 120.83 1pkf h GLU 170 Ca 0.18 -0.22 -0.06 0.00 0.08 0.00 0.00 59.36 59.35 1pkf h GLU 170 Cb 0.17 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 1pkf h GLU 170 CO -0.02 0.77 -0.08 0.87 -2.18 0.00 0.00 179.01 178.38 1pkf h LYS 171 N 0.36 0.45 -0.20 1.92 1.57 -1.80 -2.33 116.57 116.53 1pkf h LYS 171 Ca 0.03 -0.18 -0.10 0.00 -1.87 0.00 0.00 60.65 58.52 1pkf h LYS 171 Cb 0.88 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.16 1pkf h LYS 171 CO 0.07 0.70 -0.32 0.74 -0.57 0.00 0.00 179.45 180.08 1pkf h PHE 172 N 0.17 0.48 -0.44 -1.35 0.05 -1.20 -0.79 116.94 113.85 1pkf h PHE 172 Ca 0.05 -0.11 -0.03 0.00 3.82 0.00 0.00 57.97 61.70 1pkf h PHE 172 Cb 0.55 -0.11 -0.02 0.00 2.00 0.00 0.00 35.95 38.37 1pkf h PHE 172 CO 0.06 0.69 0.16 -0.09 -0.18 0.00 0.00 178.31 178.95 1pkf h ARG 173 N 0.36 0.68 -0.52 1.51 2.43 -1.08 0.31 114.38 118.06 1pkf h ARG 173 Ca 0.04 -0.14 -0.00 0.00 -0.81 0.00 0.00 59.98 59.08 1pkf h ARG 173 Cb 0.74 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 30.17 1pkf h ARG 173 CO 0.06 0.64 0.32 0.00 -1.51 0.00 0.00 179.97 179.48 1pkf h ARG 174 N 0.57 0.71 -0.44 0.20 3.08 -1.25 -0.87 114.38 116.38 1pkf h ARG 174 Ca 0.14 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 60.10 1pkf h ARG 174 Cb 0.23 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.12 1pkf h ARG 174 CO -0.01 0.51 0.17 0.35 -1.07 0.00 0.00 179.97 179.92 1pkf h PHE 175 N 0.70 0.68 -0.18 3.04 3.57 -0.66 -0.90 116.94 123.19 1pkf h PHE 175 Ca 0.19 -0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.63 1pkf h PHE 175 Cb -0.01 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 38.51 1pkf h PHE 175 CO -0.03 0.59 0.12 0.78 -2.23 0.00 0.00 178.31 177.54 1pkf h GLY 176 N 0.57 0.26 1.18 2.40 0.00 -0.01 0.38 103.07 107.85 1pkf h GLY 176 Ca 0.15 -0.10 -0.16 0.00 0.00 0.00 0.00 47.33 47.22 1pkf h GLY 176 CO -0.01 0.10 -0.40 0.23 0.00 0.00 0.00 176.54 176.46 1pkf h SER 177 N 0.24 0.95 -0.38 0.19 0.87 -1.12 -1.96 113.55 112.34 1pkf h SER 177 Ca 0.07 -0.44 -0.07 0.00 -1.23 0.00 0.00 61.79 60.12 1pkf h SER 177 Cb -0.02 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 61.66 1pkf h SER 177 CO -0.01 1.22 -0.02 0.00 -0.53 0.00 0.00 176.83 177.49 1pkf h ALA 178 N 0.82 0.51 -0.46 6.23 0.00 -0.99 -2.46 119.26 122.91 1pkf h ALA 178 Ca 0.06 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 1pkf h ALA 178 Cb 0.98 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 1pkf h ALA 178 CO 0.09 0.30 0.23 1.15 0.00 0.00 0.00 179.25 181.02 1pkf h THR 179 N 0.49 1.18 -0.68 0.00 2.02 -0.85 0.20 112.91 115.28 1pkf h THR 179 Ca 0.10 -0.50 0.04 0.00 0.77 0.00 0.00 66.41 66.82 1pkf h THR 179 Cb 0.50 0.67 -0.05 0.00 -1.74 0.00 0.00 68.15 67.53 1pkf h THR 179 CO 0.02 0.20 0.40 0.00 0.37 0.00 0.00 175.52 176.51 1pkf h ALA 180 N 1.07 0.89 -0.30 6.16 0.00 -1.18 -1.01 119.26 124.89 1pkf h ALA 180 Ca 0.16 -0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.91 1pkf h ALA 180 Cb 0.11 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 1pkf h ALA 180 CO -0.02 0.13 -0.42 0.00 0.00 0.00 0.00 179.25 178.93 1pkf h ARG 181 N 0.77 0.82 -0.25 0.00 3.08 -1.00 -3.21 114.38 114.59 1pkf h ARG 181 Ca 0.29 -0.48 -0.02 0.00 0.07 0.00 0.00 59.98 59.84 1pkf h ARG 181 Cb 0.10 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 1pkf h ARG 181 CO -0.14 1.11 0.09 0.00 -1.07 0.00 0.00 179.97 179.96 1pkf h ALA 182 N 0.70 1.69 0.00 0.04 0.00 -0.11 0.22 119.26 121.80 1pkf h ALA 182 Ca 0.03 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1pkf h ALA 182 Cb 1.02 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.70 1pkf h ALA 182 CO 0.10 0.25 -0.01 -0.07 0.00 0.00 0.00 179.25 179.51 1pkf h LEU 183 N 0.34 0.00 -0.66 0.00 3.38 -1.20 -2.30 115.31 114.87 1pkf h LEU 183 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1pkf h LEU 183 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1pkf h LEU 183 CO -0.01 0.01 0.00 1.23 0.09 0.00 0.00 178.44 179.77 1pkf h GLY 184 N 1.55 0.00 -5.16 0.83 0.00 -0.61 -3.43 103.07 96.26 1pkf h GLY 184 Ca -0.00 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.78 1pkf h GLY 184 CO 0.00 0.00 1.02 0.14 0.00 0.00 0.00 176.54 177.70 1pkf s VAL 185 N -3.39 3.65 0.00 4.60 1.01 -0.87 -0.95 120.40 124.45 1pkf s VAL 185 Ca 0.05 0.86 0.00 0.00 0.00 0.00 0.00 61.98 62.89 1pkf s VAL 185 Cb 0.08 -3.55 0.00 0.00 0.00 0.00 0.00 36.38 32.91 1pkf s VAL 185 CO 0.58 -0.06 0.00 0.61 0.00 0.00 0.00 175.10 176.23 1pkf n GLY 186 N 3.97 0.93 0.94 4.51 0.00 -1.26 -4.85 105.19 109.43 1pkf n GLY 186 Ca 0.16 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.16 1pkf n GLY 186 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1pkf n LEU 187 N 0.00 0.66 -4.54 0.99 -0.00 -0.12 -4.61 117.00 109.37 1pkf n LEU 187 Ca 0.00 0.09 -0.30 0.00 -0.00 0.00 0.00 56.01 55.80 1pkf n LEU 187 Cb 0.00 -0.22 -0.11 0.00 -0.00 0.00 0.00 43.42 43.10 1pkf n LEU 187 CO 0.00 -0.30 -0.45 0.68 -0.00 0.00 0.00 177.39 177.32 1pkf s VAL 188 N -2.07 3.18 0.27 1.96 -7.23 -0.40 -5.02 120.40 111.10 1pkf s VAL 188 Ca -0.03 -1.30 -0.01 0.00 -1.81 0.00 0.00 61.98 58.83 1pkf s VAL 188 Cb 0.01 -2.46 0.26 0.00 0.56 0.00 0.00 36.38 34.74 1pkf s VAL 188 CO 0.04 0.15 1.82 -0.65 -0.31 0.00 0.00 175.10 176.15 1pkf h PRO 189 N 3.78 0.87 -2.29 4.82 0.11 -1.85 -3.40 132.00 134.05 1pkf h PRO 189 Ca -0.49 -0.05 -0.57 0.00 0.11 0.00 0.00 66.00 64.99 1pkf h PRO 189 Cb 1.17 -0.20 -0.37 0.00 0.11 0.00 0.00 31.00 31.71 1pkf h PRO 189 CO 0.50 0.58 -0.97 0.54 -0.21 0.00 0.00 178.00 178.43 1pkf n ARG 190 N -4.68 0.23 -2.30 1.05 1.74 -1.26 -5.05 116.66 106.38 1pkf n ARG 190 Ca 0.17 -3.13 -0.43 0.00 -0.77 0.00 0.00 57.85 53.69 1pkf n ARG 190 Cb 0.33 -1.63 -0.02 0.00 -1.02 0.00 0.00 32.46 30.12 1pkf n ARG 190 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1pkf s VAL 191 N 0.00 4.07 -0.88 1.55 1.01 -1.26 -4.29 120.40 120.60 1pkf s VAL 191 Ca 0.33 1.30 -0.04 0.00 0.00 0.00 0.00 61.98 63.57 1pkf s VAL 191 Cb 0.05 -3.84 0.12 0.00 0.00 0.00 0.00 36.38 32.71 1pkf s VAL 191 CO -0.19 -0.11 2.51 -0.90 0.00 0.00 0.00 175.10 176.42 1pkf n ASP 192 N 6.69 7.25 -3.58 3.32 3.85 -1.26 -4.87 116.55 127.96 1pkf n ASP 192 Ca 0.15 -3.24 -0.11 0.00 -0.71 0.00 0.00 54.79 50.87 1pkf n ASP 192 Cb 0.44 -1.27 -0.05 0.00 -1.35 0.00 0.00 41.12 38.88 1pkf n ASP 192 CO 0.00 0.00 0.00 -0.70 -1.01 0.00 0.00 177.20 175.49 1pkf s GLU 193 N -1.77 0.65 0.16 0.11 2.56 -1.26 -5.00 118.70 114.15 1pkf s GLU 193 Ca 0.55 0.22 -0.32 0.00 0.00 0.00 0.00 54.97 55.43 1pkf s GLU 193 Cb 0.29 0.31 -0.12 0.00 2.00 0.00 0.00 34.13 36.61 1pkf s GLU 193 CO -0.17 -0.19 1.76 0.39 -0.56 0.00 0.00 175.26 176.49 1pkf n GLU 194 N 0.95 2.72 -0.29 4.30 1.02 -1.26 -4.95 120.64 123.12 1pkf n GLU 194 Ca -0.12 0.98 0.10 0.00 -0.02 0.00 0.00 57.16 58.10 1pkf n GLU 194 Cb 0.57 -2.84 0.26 0.00 -0.02 0.00 0.00 31.44 29.41 1pkf n GLU 194 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 1pkf h THR 195 N 4.18 0.58 -0.33 2.62 2.02 -1.99 -1.79 112.91 118.21 1pkf h THR 195 Ca -0.45 -0.16 -0.12 0.00 0.77 0.00 0.00 66.41 66.45 1pkf h THR 195 Cb 1.22 0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 67.68 1pkf h THR 195 CO 0.95 0.09 -0.29 0.11 0.37 0.00 0.00 175.52 176.75 1pkf h LYS 196 N 0.47 0.68 -0.05 6.66 1.79 -1.98 0.34 116.57 124.48 1pkf h LYS 196 Ca 0.50 -0.29 -0.02 0.00 -2.18 0.00 0.00 60.65 58.66 1pkf h LYS 196 Cb 0.86 -0.02 -0.00 0.00 -1.58 0.00 0.00 32.23 31.49 1pkf h LYS 196 CO -0.46 0.89 -0.03 1.15 -1.08 0.00 0.00 179.45 179.92 1pkf h THR 197 N 0.58 1.34 -0.25 -0.16 2.02 -1.88 -2.08 112.91 112.48 1pkf h THR 197 Ca 0.07 -1.06 0.05 0.00 0.77 0.00 0.00 66.41 66.25 1pkf h THR 197 Cb 0.79 1.94 -0.05 0.00 -1.74 0.00 0.00 68.15 69.08 1pkf h THR 197 CO 0.06 0.29 -0.10 -0.07 0.37 0.00 0.00 175.52 176.07 1pkf h LEU 198 N -0.29 -0.34 -0.83 2.58 3.38 -0.89 -2.25 115.31 116.67 1pkf h LEU 198 Ca 0.01 0.09 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 1pkf h LEU 198 Cb 0.48 0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.39 1pkf h LEU 198 CO 0.01 -0.13 0.41 0.58 0.09 0.00 0.00 178.44 179.40 1pkf h VAL 199 N -0.06 1.25 -0.23 1.22 2.07 -0.29 -0.53 116.25 119.69 1pkf h VAL 199 Ca 0.13 -0.69 -0.01 0.00 0.82 0.00 0.00 66.70 66.95 1pkf h VAL 199 Cb 0.25 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.19 1pkf h VAL 199 CO -0.29 0.30 0.11 0.00 0.02 0.00 0.00 177.57 177.71 1pkf h ALA 200 N 1.22 0.30 -0.82 1.67 0.00 -1.04 -0.18 119.26 120.42 1pkf h ALA 200 Ca 0.29 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 1pkf h ALA 200 Cb 0.09 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 1pkf h ALA 200 CO -0.04 -0.15 0.40 0.77 0.00 0.00 0.00 179.25 180.23 1pkf h SER 201 N 0.24 1.06 -0.30 0.00 0.02 -1.07 -1.24 113.55 112.26 1pkf h SER 201 Ca 0.08 -0.12 -0.03 0.00 -0.84 0.00 0.00 61.79 60.88 1pkf h SER 201 Cb 0.11 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.36 1pkf h SER 201 CO -0.01 0.89 0.08 0.58 -1.14 0.00 0.00 176.83 177.24 1pkf h VAL 202 N 1.16 1.21 0.27 2.27 2.07 -0.84 -0.96 116.25 121.43 1pkf h VAL 202 Ca 0.28 -0.69 -0.01 0.00 0.82 0.00 0.00 66.70 67.10 1pkf h VAL 202 Cb 0.11 1.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.98 1pkf h VAL 202 CO -0.04 0.23 -0.13 0.74 0.02 0.00 0.00 177.57 178.39 1pkf h THR 203 N 0.32 0.74 -0.38 2.57 2.02 -0.87 -0.81 112.91 116.51 1pkf h THR 203 Ca 0.09 -0.08 0.02 0.00 0.77 0.00 0.00 66.41 67.22 1pkf h THR 203 Cb 0.27 0.79 -0.03 0.00 -1.74 0.00 0.00 68.15 67.44 1pkf h THR 203 CO -0.00 0.02 0.20 -0.08 0.37 0.00 0.00 175.52 176.03 1pkf h GLU 204 N -0.41 0.40 -0.31 6.66 4.81 -1.27 -1.85 114.58 122.62 1pkf h GLU 204 Ca -0.04 -0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.20 1pkf h GLU 204 Cb 0.31 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.57 1pkf h GLU 204 CO 0.06 0.27 0.11 0.78 -0.73 0.00 0.00 179.01 179.50 1pkf h GLY 205 N 0.41 0.39 1.66 1.92 0.00 -1.08 0.16 103.07 106.53 1pkf h GLY 205 Ca 0.15 -0.07 -0.01 0.00 0.00 0.00 0.00 47.33 47.41 1pkf h GLY 205 CO -0.09 0.04 0.18 1.41 0.00 0.00 0.00 176.54 178.07 1pkf h LEU 206 N 0.25 0.40 0.10 3.11 3.38 -0.97 -0.05 115.31 121.53 1pkf h LEU 206 Ca 0.14 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 1pkf h LEU 206 Cb 0.10 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1pkf h LEU 206 CO -0.14 0.33 -0.05 0.00 0.09 0.00 0.00 178.44 178.67 1pkf h ALA 207 N 1.74 -0.13 -0.57 1.53 0.00 -0.89 -1.57 119.26 119.37 1pkf h ALA 207 Ca 0.12 -0.14 0.08 0.00 0.00 0.00 0.00 54.91 54.96 1pkf h ALA 207 Cb 0.02 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 17.80 1pkf h ALA 207 CO -0.02 -0.44 0.23 -0.07 0.00 0.00 0.00 179.25 178.95 1pkf h LEU 208 N -0.40 0.26 -0.52 0.00 3.38 -0.63 -2.15 115.31 115.25 1pkf h LEU 208 Ca -0.01 0.06 0.01 0.00 0.09 0.00 0.00 57.88 58.03 1pkf h LEU 208 Cb 0.33 0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 1pkf h LEU 208 CO 0.02 0.16 0.34 0.25 0.09 0.00 0.00 178.44 179.30 1pkf h LEU 209 N 0.43 0.57 -0.70 1.67 5.85 -0.95 -0.70 115.31 121.47 1pkf h LEU 209 Ca 0.28 -0.01 0.07 0.00 0.84 0.00 0.00 57.88 59.06 1pkf h LEU 209 Cb 0.30 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 41.14 1pkf h LEU 209 CO -0.26 0.41 0.37 1.12 -0.34 0.00 0.00 178.44 179.74 1pkf h HIS 210 N 0.68 0.68 -0.56 1.25 2.07 -0.70 -0.82 115.15 117.75 1pkf h HIS 210 Ca 0.20 0.03 -0.06 0.00 -2.85 0.00 0.00 60.37 57.69 1pkf h HIS 210 Cb -0.05 -0.20 -0.02 0.00 2.57 0.00 0.00 27.41 29.71 1pkf h HIS 210 CO -0.05 0.29 0.11 0.78 -3.07 0.00 0.00 177.93 176.00 1pkf h GLY 211 N 0.66 0.93 0.82 6.13 0.00 -0.82 -0.79 103.07 110.01 1pkf h GLY 211 Ca 0.32 -0.56 -0.03 0.00 0.00 0.00 0.00 47.33 47.07 1pkf h GLY 211 CO -0.22 0.52 0.01 -2.08 0.00 0.00 0.00 176.54 174.78 1pkf h VAL 212 N 0.83 1.24 -0.60 4.60 2.07 -0.41 -1.86 116.25 122.12 1pkf h VAL 212 Ca 0.18 -0.81 -0.08 0.00 0.82 0.00 0.00 66.70 66.81 1pkf h VAL 212 Cb 0.34 1.39 -0.02 0.00 -1.52 0.00 0.00 31.29 31.48 1pkf h VAL 212 CO 0.00 0.25 0.05 -0.07 0.02 0.00 0.00 177.57 177.82 1pkf h LEU 213 N 0.11 1.00 -0.76 2.57 3.38 -1.04 -2.16 115.31 118.40 1pkf h LEU 213 Ca 0.06 -0.28 -0.12 0.00 0.09 0.00 0.00 57.88 57.63 1pkf h LEU 213 Cb 0.36 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1pkf h LEU 213 CO 0.01 1.03 -0.33 0.44 0.09 0.00 0.00 178.44 179.68 1pkf h ASP 214 N 0.93 0.59 -0.19 -0.43 3.32 -1.12 -1.80 116.42 117.71 1pkf h ASP 214 Ca 0.18 -0.23 -0.06 0.00 0.02 0.00 0.00 57.03 56.94 1pkf h ASP 214 Cb 0.49 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.86 1pkf h ASP 214 CO 0.02 0.88 -0.04 -0.08 -1.72 0.00 0.00 179.24 178.29 1pkf h GLU 215 N 0.48 0.51 0.00 3.56 4.22 -1.10 -2.61 114.58 119.64 1pkf h GLU 215 Ca 0.06 -0.12 -0.17 0.00 0.08 0.00 0.00 59.36 59.21 1pkf h GLU 215 Cb 0.80 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.96 1pkf h GLU 215 CO 0.07 0.57 -0.80 -0.09 -2.18 0.00 0.00 179.01 176.57 1pkf h ARG 216 N 0.48 0.00 -0.10 1.92 9.65 -0.94 0.12 114.38 125.51 1pkf h ARG 216 Ca 0.10 0.00 -0.12 0.00 -1.10 0.00 0.00 59.98 58.86 1pkf h ARG 216 Cb 0.38 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.95 1pkf h ARG 216 CO 0.02 0.80 -0.47 0.00 2.80 0.00 0.00 179.97 183.12 1pkf h ARG 217 N 0.00 0.24 -0.07 0.20 3.08 -1.19 -1.32 114.38 115.32 1pkf h ARG 217 Ca -0.01 -0.13 -0.04 0.00 0.07 0.00 0.00 59.98 59.87 1pkf h ARG 217 Cb 1.45 0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.50 1pkf h ARG 217 CO 0.10 0.67 -0.12 -0.09 -1.07 0.00 0.00 179.97 179.46 1pkf h ARG 218 N 0.19 0.20 -2.26 0.04 2.43 -1.06 -3.38 114.38 110.54 1pkf h ARG 218 Ca 0.01 -0.12 -0.60 0.00 -0.81 0.00 0.00 59.98 58.46 1pkf h ARG 218 Cb 0.91 0.01 -0.42 0.00 -0.42 0.00 0.00 29.97 30.05 1pkf h ARG 218 CO 0.07 0.70 -0.59 0.09 -1.51 0.00 0.00 179.97 178.74 1pkf n ASN 219 N -4.64 3.72 -4.76 -3.80 3.02 0.36 -5.10 115.26 104.06 1pkf n ASN 219 Ca -0.08 -3.43 -0.36 0.00 -0.03 0.00 0.00 54.58 50.69 1pkf n ASN 219 Cb 0.36 -0.68 0.03 0.00 -0.61 0.00 0.00 39.78 38.88 1pkf n ASN 219 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1pkf s PRO 220 N -2.41 3.04 0.15 3.52 0.04 -0.50 -4.67 135.00 134.16 1pkf s PRO 220 Ca 0.39 1.76 0.08 0.00 0.04 0.00 0.00 61.00 63.26 1pkf s PRO 220 Cb 0.13 -1.95 -0.04 0.00 0.04 0.00 0.00 34.50 32.69 1pkf s PRO 220 CO -0.02 -1.14 -0.18 -0.51 0.04 0.00 0.00 177.00 175.19 1pkf s LEU 221 N -4.07 2.41 0.26 -3.56 1.43 -1.26 -5.10 118.68 108.80 1pkf s LEU 221 Ca 0.76 -0.83 -0.22 0.00 -1.03 0.00 0.00 54.13 52.81 1pkf s LEU 221 Cb -0.28 -0.79 -0.09 0.00 0.03 0.00 0.00 46.19 45.06 1pkf s LEU 221 CO 0.32 -0.04 0.82 -1.61 0.23 0.00 0.00 176.35 176.07 1pkf s GLU 222 N -2.64 4.39 -1.19 1.70 2.02 -1.26 -4.18 118.70 117.54 1pkf s GLU 222 Ca 0.13 1.06 -0.03 0.00 0.02 0.00 0.00 54.97 56.15 1pkf s GLU 222 Cb -0.06 -2.85 -0.02 0.00 0.10 0.00 0.00 34.13 31.30 1pkf s GLU 222 CO 0.06 0.35 0.88 0.09 0.02 0.00 0.00 175.26 176.66 1pkf n ASN 223 N 0.67 -3.24 -3.82 -0.19 3.02 -1.26 -4.98 115.26 105.47 1pkf n ASN 223 Ca -0.01 -0.73 -0.17 0.00 -0.03 0.00 0.00 54.58 53.65 1pkf n ASN 223 Cb 0.51 -4.71 -0.16 0.00 -0.61 0.00 0.00 39.78 34.81 1pkf n ASN 223 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1pkf s ASP 224 N -4.04 0.36 0.06 6.41 2.15 -1.26 -5.05 116.67 115.30 1pkf s ASP 224 Ca 0.16 -0.02 -0.23 0.00 0.43 0.00 0.00 52.55 52.89 1pkf s ASP 224 Cb -0.03 -0.19 -0.15 0.00 -0.30 0.00 0.00 42.92 42.25 1pkf s ASP 224 CO 0.77 -0.09 1.59 0.58 -0.17 0.00 0.00 175.17 177.84 1pkf h VAL 225 N 6.18 1.14 -0.41 1.11 2.07 -1.94 -1.05 116.25 123.36 1pkf h VAL 225 Ca -0.42 -0.43 -0.02 0.00 0.82 0.00 0.00 66.70 66.65 1pkf h VAL 225 Cb 1.14 1.33 -0.02 0.00 -1.52 0.00 0.00 31.29 32.22 1pkf h VAL 225 CO 0.48 0.12 0.17 -0.07 0.02 0.00 0.00 177.57 178.28 1pkf h LEU 226 N -0.08 0.56 -0.86 2.57 3.38 -1.90 0.11 115.31 119.09 1pkf h LEU 226 Ca 0.02 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 1pkf h LEU 226 Cb 0.17 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.74 1pkf h LEU 226 CO -0.00 0.57 0.46 0.74 0.09 0.00 0.00 178.44 180.29 1pkf h THR 227 N 0.51 1.26 -0.66 0.22 2.02 -1.84 0.13 112.91 114.55 1pkf h THR 227 Ca 0.14 -0.66 0.01 0.00 0.77 0.00 0.00 66.41 66.67 1pkf h THR 227 Cb 0.18 0.11 -0.03 0.00 -1.74 0.00 0.00 68.15 66.67 1pkf h THR 227 CO -0.01 0.29 0.43 0.24 0.37 0.00 0.00 175.52 176.84 1pkf h MET 228 N 1.21 0.85 -0.55 6.66 2.86 -0.52 0.18 114.93 125.63 1pkf h MET 228 Ca 0.30 -0.05 -0.07 0.00 -2.06 0.00 0.00 59.70 57.82 1pkf h MET 228 Cb 0.06 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 31.51 1pkf h MET 228 CO -0.05 0.56 0.09 -0.07 1.06 0.00 0.00 176.91 178.50 1pkf h LEU 229 N 0.87 0.88 -0.63 1.22 3.38 -0.29 -1.88 115.31 118.87 1pkf h LEU 229 Ca 0.25 -0.26 -0.10 0.00 0.09 0.00 0.00 57.88 57.86 1pkf h LEU 229 Cb -0.07 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.42 1pkf h LEU 229 CO -0.06 0.92 0.01 -0.07 0.09 0.00 0.00 178.44 179.32 1pkf h LEU 230 N 0.81 1.06 -1.32 1.67 3.38 -0.32 -1.80 115.31 118.79 1pkf h LEU 230 Ca 0.17 -0.30 -0.06 0.00 0.09 0.00 0.00 57.88 57.78 1pkf h LEU 230 Cb 0.41 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1pkf h LEU 230 CO 0.01 1.10 -0.30 1.56 0.09 0.00 0.00 178.44 180.91 1pkf h GLN 231 N 0.99 0.00 -0.01 1.13 4.20 -0.46 -1.92 115.11 119.04 1pkf h GLN 231 Ca 0.18 0.00 -0.22 0.00 0.06 0.00 0.00 58.65 58.67 1pkf h GLN 231 Cb 0.55 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.33 1pkf h GLN 231 CO 0.03 0.30 -0.90 0.00 -0.67 0.00 0.00 178.83 177.58 1pkf h ALA 232 N 1.70 0.41 -0.37 3.87 0.00 -1.02 -3.01 119.26 120.83 1pkf h ALA 232 Ca -0.00 -0.70 -0.11 0.00 0.00 0.00 0.00 54.91 54.10 1pkf h ALA 232 Cb 0.66 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1pkf h ALA 232 CO 0.04 0.82 -0.23 1.49 0.00 0.00 0.00 179.25 181.37 1pkf h GLU 233 N 0.23 0.74 -0.10 0.00 4.22 -0.82 -3.20 114.58 115.64 1pkf h GLU 233 Ca -0.07 -0.30 -0.20 0.00 0.08 0.00 0.00 59.36 58.87 1pkf h GLU 233 Cb 1.53 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.75 1pkf h GLU 233 CO 0.15 0.90 -0.76 0.00 -2.18 0.00 0.00 179.01 177.12 1pkf h ALA 234 N 1.10 0.48 -1.96 2.92 0.00 -1.40 -3.45 119.26 116.94 1pkf h ALA 234 Ca 0.09 -0.61 -0.44 0.00 0.00 0.00 0.00 54.91 53.95 1pkf h ALA 234 Cb 0.73 -0.04 0.17 0.00 0.00 0.00 0.00 17.79 18.65 1pkf h ALA 234 CO 0.06 0.74 0.39 -0.51 0.00 0.00 0.00 179.25 179.92 1pkf s ASP 235 N -7.03 2.68 0.51 0.00 -0.00 -1.14 -4.99 116.67 106.71 1pkf s ASP 235 Ca -0.07 0.25 -0.19 0.00 -0.00 0.00 0.00 52.55 52.54 1pkf s ASP 235 Cb 0.10 -0.27 -0.12 0.00 -0.00 0.00 0.00 42.92 42.63 1pkf s ASP 235 CO 0.87 -3.00 0.31 0.61 -0.00 0.00 0.00 175.17 173.95 1pkf n GLY 236 N -3.46 -2.09 2.89 0.21 0.00 -1.26 -4.48 105.19 97.00 1pkf n GLY 236 Ca 0.16 -0.12 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 1pkf n GLY 236 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1pkf n SER 237 N 1.36 -0.01 0.00 1.61 2.88 -1.26 -4.72 113.62 113.48 1pkf n SER 237 Ca 0.10 0.04 0.00 0.00 -1.33 0.00 0.00 58.87 57.69 1pkf n SER 237 Cb 0.45 -0.70 0.00 0.00 -0.75 0.00 0.00 64.21 63.21 1pkf n SER 237 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 1pkf n ARG 238 N 6.59 3.24 -3.20 -1.46 0.63 -1.26 -5.08 116.66 116.13 1pkf n ARG 238 Ca 0.55 0.00 0.04 0.00 -0.92 0.00 0.00 57.85 57.52 1pkf n ARG 238 Cb 0.04 -0.42 -0.04 0.00 0.45 0.00 0.00 32.46 32.49 1pkf n ARG 238 CO 0.00 0.00 0.00 -1.17 -2.51 0.00 0.00 177.63 173.95 1pkf s LEU 239 N -0.75 -0.12 0.64 6.15 2.96 -1.26 -4.75 118.68 121.55 1pkf s LEU 239 Ca 0.00 0.15 -0.09 0.00 -0.22 0.00 0.00 54.13 53.98 1pkf s LEU 239 Cb 0.00 1.13 0.01 0.00 0.50 0.00 0.00 46.19 47.83 1pkf s LEU 239 CO 0.00 -0.02 0.99 -0.94 -1.32 0.00 0.00 176.35 175.06 1pkf s SER 240 N 2.18 5.55 0.29 3.68 1.04 -1.26 -4.04 113.70 121.13 1pkf s SER 240 Ca -0.01 0.93 -0.02 0.00 0.48 0.00 0.00 55.95 57.34 1pkf s SER 240 Cb -0.02 -1.84 0.41 0.00 0.10 0.00 0.00 66.02 64.67 1pkf s SER 240 CO -0.15 -1.18 1.88 0.74 0.98 0.00 0.00 173.24 175.51 1pkf h THR 241 N -0.40 1.22 -0.13 2.02 2.02 -1.99 -1.09 112.91 114.55 1pkf h THR 241 Ca -0.45 -0.63 -0.15 0.00 0.77 0.00 0.00 66.41 65.94 1pkf h THR 241 Cb 1.25 0.39 -0.01 0.00 -1.74 0.00 0.00 68.15 68.04 1pkf h THR 241 CO 0.62 0.26 -0.57 0.11 0.37 0.00 0.00 175.52 176.31 1pkf h LYS 242 N 0.94 0.42 -0.53 6.66 1.57 -1.97 -1.60 116.57 122.07 1pkf h LYS 242 Ca 0.23 -0.28 -0.11 0.00 -1.87 0.00 0.00 60.65 58.62 1pkf h LYS 242 Cb 0.12 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 1pkf h LYS 242 CO -0.03 0.88 -0.11 0.93 -0.57 0.00 0.00 179.45 180.55 1pkf h GLU 243 N 0.32 1.00 0.12 3.15 5.08 -1.67 -0.98 114.58 121.61 1pkf h GLU 243 Ca 0.00 -0.37 -0.01 0.00 -1.00 0.00 0.00 59.36 57.99 1pkf h GLU 243 Cb 1.10 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.29 1pkf h GLU 243 CO 0.10 1.05 -0.06 1.25 -1.00 0.00 0.00 179.01 180.35 1pkf h LEU 244 N 0.89 -0.14 -0.33 1.33 6.46 -1.04 0.18 115.31 122.66 1pkf h LEU 244 Ca 0.14 -0.24 -0.00 0.00 -0.12 0.00 0.00 57.88 57.66 1pkf h LEU 244 Cb 0.67 0.04 -0.02 0.00 -0.73 0.00 0.00 40.66 40.62 1pkf h LEU 244 CO 0.05 0.17 0.20 0.58 -0.62 0.00 0.00 178.44 178.82 1pkf h VAL 245 N -0.45 1.11 -0.53 1.05 2.07 -1.25 -1.43 116.25 116.81 1pkf h VAL 245 Ca -0.02 -0.25 0.01 0.00 0.82 0.00 0.00 66.70 67.26 1pkf h VAL 245 Cb 0.37 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 30.78 1pkf h VAL 245 CO 0.03 0.11 0.35 0.00 0.02 0.00 0.00 177.57 178.08 1pkf h ALA 246 N 1.09 1.63 -0.17 1.67 0.00 -1.13 -0.50 119.26 121.85 1pkf h ALA 246 Ca 0.12 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 1pkf h ALA 246 Cb 0.00 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 1pkf h ALA 246 CO -0.02 0.35 -0.17 1.25 0.00 0.00 0.00 179.25 180.65 1pkf h LEU 247 N 0.72 0.45 -0.53 0.00 5.85 -0.37 -0.97 115.31 120.46 1pkf h LEU 247 Ca 0.20 -0.48 -0.14 0.00 0.84 0.00 0.00 57.88 58.29 1pkf h LEU 247 Cb -0.08 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 40.82 1pkf h LEU 247 CO -0.04 0.83 -0.36 0.58 -0.34 0.00 0.00 178.44 179.11 1pkf h VAL 248 N 0.07 1.28 -0.59 1.05 2.07 -1.07 -1.51 116.25 117.54 1pkf h VAL 248 Ca 0.03 -1.53 -0.03 0.00 0.82 0.00 0.00 66.70 65.99 1pkf h VAL 248 Cb 0.71 1.40 -0.03 0.00 -1.52 0.00 0.00 31.29 31.85 1pkf h VAL 248 CO 0.04 0.50 0.25 1.23 0.02 0.00 0.00 177.57 179.61 1pkf h GLY 249 N 0.91 0.91 1.41 2.17 0.00 -0.99 -2.10 103.07 105.38 1pkf h GLY 249 Ca 0.06 -0.45 -0.21 0.00 0.00 0.00 0.00 47.33 46.73 1pkf h GLY 249 CO 0.08 0.43 -0.77 0.00 0.00 0.00 0.00 176.54 176.28 1pkf h ALA 250 N 1.43 0.45 -0.68 3.60 0.00 -0.84 -1.66 119.26 121.57 1pkf h ALA 250 Ca 0.20 -0.61 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 1pkf h ALA 250 Cb 0.15 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 1pkf h ALA 250 CO -0.02 0.73 0.39 0.82 0.00 0.00 0.00 179.25 181.17 1pkf h ILE 251 N 0.39 1.21 -0.17 0.00 2.04 -1.08 0.66 117.51 120.56 1pkf h ILE 251 Ca -0.05 -0.50 -0.03 0.00 1.00 0.00 0.00 64.86 65.29 1pkf h ILE 251 Cb 1.38 0.30 -0.01 0.00 -0.74 0.00 0.00 36.82 37.75 1pkf h ILE 251 CO 0.14 0.22 -0.02 0.40 0.00 0.00 0.00 178.15 178.89 1pkf h ILE 252 N 0.93 1.27 -0.27 -0.67 2.04 -1.22 -1.66 117.51 117.94 1pkf h ILE 252 Ca 0.24 -0.94 -0.08 0.00 1.00 0.00 0.00 64.86 65.09 1pkf h ILE 252 Cb 0.01 1.56 -0.01 0.00 -0.74 0.00 0.00 36.82 37.65 1pkf h ILE 252 CO -0.04 0.28 -0.14 0.00 0.00 0.00 0.00 178.15 178.25 1pkf h ALA 253 N 0.74 0.37 -0.13 1.87 0.00 -1.05 -2.86 119.26 118.21 1pkf h ALA 253 Ca 0.04 -0.32 -0.05 0.00 0.00 0.00 0.00 54.91 54.59 1pkf h ALA 253 Cb 0.43 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1pkf h ALA 253 CO 0.01 0.25 -0.13 0.00 0.00 0.00 0.00 179.25 179.38 1pkf h ALA 254 N 0.73 1.55 -0.02 0.00 0.00 0.33 -3.30 119.26 118.54 1pkf h ALA 254 Ca 0.06 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1pkf h ALA 254 Cb 0.65 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1pkf h ALA 254 CO 0.04 0.33 -0.42 0.41 0.00 0.00 0.00 179.25 179.61 1pkf n GLY 255 N -0.91 0.03 0.00 0.00 0.00 -0.63 -4.29 105.19 99.39 1pkf n GLY 255 Ca -0.01 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.39 1pkf n GLY 255 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1pkf n THR 256 N 0.01 0.00 -0.27 2.61 -1.04 -1.09 -4.14 114.28 110.36 1pkf n THR 256 Ca 0.10 0.10 -0.07 0.00 -2.04 0.00 0.00 64.05 62.15 1pkf n THR 256 Cb 0.46 -0.31 0.06 0.00 -1.82 0.00 0.00 70.33 68.72 1pkf n THR 256 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 1pkf h ASP 257 N 0.00 1.07 -0.47 8.00 3.32 -1.82 -2.80 116.42 123.72 1pkf h ASP 257 Ca 0.00 -0.20 0.09 0.00 0.02 0.00 0.00 57.03 56.95 1pkf h ASP 257 Cb 0.00 -0.28 -0.09 0.00 0.22 0.00 0.00 39.33 39.18 1pkf h ASP 257 CO 0.00 0.98 -0.11 0.71 -1.72 0.00 0.00 179.24 179.11 1pkf h THR 258 N 1.10 0.54 -0.01 0.35 1.35 -1.81 -1.30 112.91 113.13 1pkf h THR 258 Ca 0.24 -0.00 -0.13 0.00 -0.55 0.00 0.00 66.41 65.98 1pkf h THR 258 Cb 0.28 0.53 -0.02 0.00 -1.73 0.00 0.00 68.15 67.21 1pkf h THR 258 CO -0.01 0.00 -0.58 0.74 -0.25 0.00 0.00 175.52 175.42 1pkf h THR 259 N 0.01 1.41 -0.56 6.82 2.02 -1.68 -1.14 112.91 119.80 1pkf h THR 259 Ca 0.23 -1.98 0.01 0.00 0.77 0.00 0.00 66.41 65.44 1pkf h THR 259 Cb 0.35 2.06 -0.03 0.00 -1.74 0.00 0.00 68.15 68.78 1pkf h THR 259 CO -0.47 0.57 0.36 0.40 0.37 0.00 0.00 175.52 176.75 1pkf h ILE 260 N 0.03 1.11 -0.16 3.11 2.04 -1.02 -1.94 117.51 120.67 1pkf h ILE 260 Ca -0.01 -0.25 -0.19 0.00 1.00 0.00 0.00 64.86 65.41 1pkf h ILE 260 Cb 1.04 0.32 0.00 0.00 -0.74 0.00 0.00 36.82 37.44 1pkf h ILE 260 CO 0.08 0.13 -0.67 1.88 0.00 0.00 0.00 178.15 179.57 1pkf h TYR 261 N 0.73 0.84 0.25 1.37 0.05 -0.71 -2.12 116.97 117.38 1pkf h TYR 261 Ca 0.21 -0.34 0.01 0.00 0.05 0.00 0.00 58.73 58.66 1pkf h TYR 261 Cb -0.05 -0.14 -0.03 0.00 1.01 0.00 0.00 36.73 37.52 1pkf h TYR 261 CO -0.04 1.13 -0.31 1.25 -1.05 0.00 0.00 178.16 179.13 1pkf h LEU 262 N 0.46 -0.86 -0.57 3.88 5.85 -1.02 0.22 115.31 123.28 1pkf h LEU 262 Ca -0.02 0.08 0.08 0.00 0.84 0.00 0.00 57.88 58.86 1pkf h LEU 262 Cb 1.26 0.30 -0.06 0.00 0.37 0.00 0.00 40.66 42.53 1pkf h LEU 262 CO 0.13 -0.43 0.23 0.40 -0.34 0.00 0.00 178.44 178.43 1pkf h ILE 263 N -0.61 0.83 -0.26 4.05 2.04 -1.30 0.12 117.51 122.37 1pkf h ILE 263 Ca -0.00 -0.15 -0.09 0.00 1.00 0.00 0.00 64.86 65.62 1pkf h ILE 263 Cb 0.58 0.37 -0.01 0.00 -0.74 0.00 0.00 36.82 37.02 1pkf h ILE 263 CO -0.10 0.08 -0.19 0.00 0.00 0.00 0.00 178.15 177.94 1pkf h ALA 264 N 1.37 0.38 0.00 1.87 0.00 -1.08 -2.16 119.26 119.64 1pkf h ALA 264 Ca 0.27 -0.35 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 1pkf h ALA 264 Cb 0.29 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1pkf h ALA 264 CO -0.26 0.31 -0.21 0.74 0.00 0.00 0.00 179.25 179.83 1pkf h PHE 265 N 0.32 0.00 0.11 0.00 -1.00 -0.29 -1.09 116.94 115.00 1pkf h PHE 265 Ca 0.05 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.83 1pkf h PHE 265 Cb 0.73 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.29 1pkf h PHE 265 CO 0.07 0.21 -0.05 0.00 -1.61 0.00 0.00 178.31 176.92 1pkf h ALA 266 N 1.79 -0.15 -0.36 2.45 0.00 -0.53 -0.80 119.26 121.66 1pkf h ALA 266 Ca -0.00 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.74 1pkf h ALA 266 Cb 0.37 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 1pkf h ALA 266 CO 0.03 -0.40 0.19 0.28 0.00 0.00 0.00 179.25 179.35 1pkf h VAL 267 N -0.52 1.01 -0.18 0.00 2.07 -1.26 -1.16 116.25 116.22 1pkf h VAL 267 Ca -0.02 -0.14 0.05 0.00 0.82 0.00 0.00 66.70 67.42 1pkf h VAL 267 Cb 0.42 0.58 -0.05 0.00 -1.52 0.00 0.00 31.29 30.71 1pkf h VAL 267 CO 0.03 0.07 -0.15 0.25 0.02 0.00 0.00 177.57 177.79 1pkf h LEU 268 N 0.40 -0.47 -1.03 2.57 6.46 -1.17 -0.96 115.31 121.12 1pkf h LEU 268 Ca 0.15 0.10 -0.09 0.00 -0.12 0.00 0.00 57.88 57.91 1pkf h LEU 268 Cb 0.03 0.23 -0.01 0.00 -0.73 0.00 0.00 40.66 40.18 1pkf h LEU 268 CO -0.08 -0.19 -0.43 0.78 -0.62 0.00 0.00 178.44 177.89 1pkf h ASN 269 N -0.15 0.00 0.57 1.25 2.35 -0.82 -0.62 115.58 118.15 1pkf h ASN 269 Ca 0.11 0.00 -0.23 0.00 -0.55 0.00 0.00 56.30 55.63 1pkf h ASN 269 Cb 0.32 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.69 1pkf h ASN 269 CO -0.28 0.43 -1.00 -0.07 -1.65 0.00 0.00 177.43 174.86 1pkf h LEU 270 N 0.00 0.35 -0.97 1.61 3.38 -1.00 -2.29 115.31 116.39 1pkf h LEU 270 Ca -0.00 -0.31 -0.10 0.00 0.09 0.00 0.00 57.88 57.55 1pkf h LEU 270 Cb 0.86 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 1pkf h LEU 270 CO 0.06 1.16 -0.29 -0.07 0.09 0.00 0.00 178.44 179.38 1pkf h LEU 271 N 0.12 0.40 -0.35 1.67 3.38 -0.80 -3.07 115.31 116.66 1pkf h LEU 271 Ca -0.07 -0.14 -0.09 0.00 0.09 0.00 0.00 57.88 57.66 1pkf h LEU 271 Cb 1.67 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 42.30 1pkf h LEU 271 CO 0.16 0.68 -0.45 0.03 0.09 0.00 0.00 178.44 178.96 1pkf h ARG 272 N 0.35 0.00 -3.24 1.13 3.08 -1.10 -3.39 114.38 111.21 1pkf h ARG 272 Ca 0.05 0.00 -0.63 0.00 0.07 0.00 0.00 59.98 59.47 1pkf h ARG 272 Cb 0.70 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 30.33 1pkf h ARG 272 CO 0.05 0.45 -0.61 0.45 -1.07 0.00 0.00 179.97 179.24 1pkf s SER 273 N -6.43 4.50 0.44 7.04 0.15 -0.87 -4.96 113.70 113.58 1pkf s SER 273 Ca 0.03 -3.37 0.14 0.00 0.70 0.00 0.00 55.95 53.45 1pkf s SER 273 Cb 0.09 -1.62 1.04 0.00 -1.71 0.00 0.00 66.02 63.82 1pkf s SER 273 CO 0.72 -0.17 1.99 -0.65 1.20 0.00 0.00 173.24 176.34 1pkf h PRO 274 N 6.03 0.38 -0.39 5.44 0.11 -1.77 -1.29 132.00 140.51 1pkf h PRO 274 Ca 0.02 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.10 1pkf h PRO 274 Cb 0.83 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 31.84 1pkf h PRO 274 CO 0.70 0.25 0.24 1.05 -0.21 0.00 0.00 178.00 180.02 1pkf h GLU 275 N 0.39 0.53 -0.57 1.05 4.11 -1.92 -0.89 114.58 117.27 1pkf h GLU 275 Ca 0.25 -0.05 -0.01 0.00 0.07 0.00 0.00 59.36 59.63 1pkf h GLU 275 Cb 0.49 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.60 1pkf h GLU 275 CO -0.07 0.39 0.32 0.00 0.07 0.00 0.00 179.01 179.72 1pkf h ALA 276 N 1.11 0.73 -0.78 1.06 0.00 -1.60 -1.78 119.26 118.00 1pkf h ALA 276 Ca 0.14 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1pkf h ALA 276 Cb -0.00 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 1pkf h ALA 276 CO -0.03 0.24 0.32 1.25 0.00 0.00 0.00 179.25 181.03 1pkf h LEU 277 N 0.77 1.08 -0.96 0.00 5.85 -1.19 -1.62 115.31 119.24 1pkf h LEU 277 Ca 0.20 -0.17 -0.11 0.00 0.84 0.00 0.00 57.88 58.64 1pkf h LEU 277 Cb 0.03 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.77 1pkf h LEU 277 CO -0.03 0.95 -0.48 -0.08 -0.34 0.00 0.00 178.44 178.46 1pkf h GLU 278 N 1.13 0.09 -0.44 1.25 4.57 -0.81 -0.11 114.58 120.26 1pkf h GLU 278 Ca 0.26 -0.05 -0.12 0.00 -1.18 0.00 0.00 59.36 58.27 1pkf h GLU 278 Cb 0.21 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.79 1pkf h GLU 278 CO -0.02 0.56 -0.19 -0.07 -1.18 0.00 0.00 179.01 178.10 1pkf h LEU 279 N 0.08 0.88 0.00 1.64 3.38 -0.75 -1.70 115.31 118.83 1pkf h LEU 279 Ca 0.00 -0.31 -0.05 0.00 0.09 0.00 0.00 57.88 57.61 1pkf h LEU 279 Cb 0.88 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 1pkf h LEU 279 CO 0.07 1.05 -0.33 0.58 0.09 0.00 0.00 178.44 179.90 1pkf h VAL 280 N 0.76 0.38 -0.37 1.22 2.07 -0.84 -1.21 116.25 118.26 1pkf h VAL 280 Ca 0.11 -1.55 -0.16 0.00 0.82 0.00 0.00 66.70 65.92 1pkf h VAL 280 Cb 0.72 2.15 -0.01 0.00 -1.52 0.00 0.00 31.29 32.63 1pkf h VAL 280 CO 0.06 0.21 -0.40 0.11 0.02 0.00 0.00 177.57 177.57 1pkf h LYS 281 N 0.00 0.93 0.03 1.57 1.57 -0.87 -2.95 116.57 116.85 1pkf h LYS 281 Ca -0.01 -0.50 -0.23 0.00 -1.87 0.00 0.00 60.65 58.03 1pkf h LYS 281 Cb 1.18 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.52 1pkf h LYS 281 CO 0.03 1.16 -1.00 0.00 -0.57 0.00 0.00 179.45 179.06 1pkf h ALA 282 N 0.76 0.32 -2.73 3.86 0.00 -1.02 -3.38 119.26 117.06 1pkf h ALA 282 Ca 0.05 -0.74 -0.60 0.00 0.00 0.00 0.00 54.91 53.62 1pkf h ALA 282 Cb 1.00 -0.01 -0.40 0.00 0.00 0.00 0.00 17.79 18.38 1pkf h ALA 282 CO 0.10 0.85 -0.79 -1.21 0.00 0.00 0.00 179.25 178.20 1pkf s GLU 283 N -3.14 1.51 0.59 0.00 2.02 -0.48 -4.98 118.70 114.22 1pkf s GLU 283 Ca -0.05 -2.50 0.29 0.00 0.02 0.00 0.00 54.97 52.72 1pkf s GLU 283 Cb 0.08 -2.27 1.47 0.00 0.10 0.00 0.00 34.13 33.51 1pkf s GLU 283 CO 0.87 -1.31 1.88 -1.35 0.02 0.00 0.00 175.26 175.37 1pkf h PRO 284 N 5.78 0.00 0.00 0.39 0.11 -1.70 0.27 132.00 136.85 1pkf h PRO 284 Ca 0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 1pkf h PRO 284 Cb 0.86 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.97 1pkf h PRO 284 CO 0.51 0.00 0.00 0.78 -0.21 0.00 0.00 178.00 179.08 1pkf h GLY 285 N 0.00 0.00 1.49 -0.55 0.00 -1.94 -1.60 103.07 100.48 1pkf h GLY 285 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.55 1pkf h GLY 285 CO -0.00 0.00 -0.00 1.04 0.00 0.00 0.00 176.54 177.58 1pkf n LEU 286 N -2.65 0.01 -0.32 3.11 4.77 0.94 -4.04 117.00 118.82 1pkf n LEU 286 Ca -0.02 0.25 -0.04 0.00 -0.03 0.00 0.00 56.01 56.17 1pkf n LEU 286 Cb 0.06 -0.25 0.08 0.00 -2.33 0.00 0.00 43.42 40.98 1pkf n LEU 286 CO 0.15 0.00 1.17 -0.03 -1.33 0.00 0.00 177.39 177.35 1pkf h MET 287 N 0.01 1.19 -0.67 3.23 4.05 -1.47 -0.92 114.93 120.34 1pkf h MET 287 Ca 0.00 -0.13 -0.06 0.00 -0.28 0.00 0.00 59.70 59.23 1pkf h MET 287 Cb 0.25 -0.24 -0.03 0.00 -0.80 0.00 0.00 31.60 30.79 1pkf h MET 287 CO 0.00 0.86 0.20 -0.09 0.23 0.00 0.00 176.91 178.11 1pkf h ARG 288 N 1.19 1.03 -0.31 0.39 2.43 -1.81 -1.54 114.38 115.76 1pkf h ARG 288 Ca 0.30 -0.21 -0.16 0.00 -0.81 0.00 0.00 59.98 59.10 1pkf h ARG 288 Cb 0.01 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.40 1pkf h ARG 288 CO -0.05 0.89 -0.45 -0.97 -1.51 0.00 0.00 179.97 177.88 1pkf h ASN 289 N 1.00 0.86 -0.57 -3.80 -1.24 -1.63 -2.56 115.58 107.64 1pkf h ASN 289 Ca 0.22 -0.42 -0.05 0.00 0.71 0.00 0.00 56.30 56.76 1pkf h ASN 289 Cb 0.29 -0.24 -0.03 0.00 0.73 0.00 0.00 38.32 39.07 1pkf h ASN 289 CO -0.01 1.18 0.19 0.00 -1.29 0.00 0.00 177.43 177.51 1pkf h ALA 290 N 0.85 1.20 -0.11 1.57 0.00 -0.80 -0.24 119.26 121.72 1pkf h ALA 290 Ca 0.04 -0.19 -0.14 0.00 0.00 0.00 0.00 54.91 54.62 1pkf h ALA 290 Cb 1.03 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 1pkf h ALA 290 CO 0.10 0.56 -0.52 -0.07 0.00 0.00 0.00 179.25 179.32 1pkf h LEU 291 N 0.89 0.35 -0.46 0.00 3.38 -1.18 -0.96 115.31 117.32 1pkf h LEU 291 Ca 0.20 -0.18 -0.17 0.00 0.09 0.00 0.00 57.88 57.83 1pkf h LEU 291 Cb 0.25 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 1pkf h LEU 291 CO -0.01 0.81 -0.52 0.44 0.09 0.00 0.00 178.44 179.25 1pkf h ASP 292 N 0.25 0.76 0.80 -0.43 3.32 -0.99 -2.86 116.42 117.27 1pkf h ASP 292 Ca 0.01 -0.39 -0.02 0.00 0.02 0.00 0.00 57.03 56.65 1pkf h ASP 292 Cb 1.01 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 40.34 1pkf h ASP 292 CO 0.09 1.14 -0.09 -0.08 -1.72 0.00 0.00 179.24 178.57 1pkf h GLU 293 N 0.54 0.00 -0.41 3.56 4.57 -0.78 -1.95 114.58 120.11 1pkf h GLU 293 Ca 0.02 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.15 1pkf h GLU 293 Cb 1.08 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.65 1pkf h GLU 293 CO 0.11 0.09 0.08 0.28 -1.18 0.00 0.00 179.01 178.39 1pkf h VAL 294 N 0.00 1.24 0.00 0.32 2.07 -0.94 0.18 116.25 119.11 1pkf h VAL 294 Ca -0.00 -0.83 -0.12 0.00 0.82 0.00 0.00 66.70 66.56 1pkf h VAL 294 Cb 0.51 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 31.26 1pkf h VAL 294 CO 0.01 0.29 -0.58 -0.07 0.02 0.00 0.00 177.57 177.24 1pkf h LEU 295 N 0.53 0.00 -0.01 2.57 4.07 -1.47 0.06 115.31 121.06 1pkf h LEU 295 Ca 0.13 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 58.08 1pkf h LEU 295 Cb 0.34 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.08 1pkf h LEU 295 CO 0.00 0.58 -0.04 -0.09 -1.08 0.00 0.00 178.44 177.82 1pkf h ARG 296 N 0.00 0.04 0.04 1.13 1.12 -1.16 -3.07 114.38 112.48 1pkf h ARG 296 Ca -0.01 -0.03 -0.23 0.00 -1.11 0.00 0.00 59.98 58.60 1pkf h ARG 296 Cb 1.18 0.01 -0.00 0.00 -0.01 0.00 0.00 29.97 31.15 1pkf h ARG 296 CO 0.08 0.73 -1.02 0.35 -3.11 0.00 0.00 179.97 176.99 1pkf h PHE 297 N -0.64 0.47 -1.64 2.20 3.57 -0.67 -3.41 116.94 116.81 1pkf h PHE 297 Ca -0.00 -0.28 -0.36 0.00 3.53 0.00 0.00 57.97 60.85 1pkf h PHE 297 Cb 0.74 -0.04 -0.27 0.00 2.79 0.00 0.00 35.95 39.17 1pkf h PHE 297 CO 0.17 1.14 -0.73 -0.85 -2.23 0.00 0.00 178.31 175.81 1pkf n GLU 298 N -3.64 0.37 -1.99 1.11 0.28 0.01 -4.98 120.64 111.79 1pkf n GLU 298 Ca -0.06 -2.58 -0.40 0.00 -0.16 0.00 0.00 57.16 53.96 1pkf n GLU 298 Cb 0.89 -1.56 -0.00 0.00 1.43 0.00 0.00 31.44 32.20 1pkf n GLU 298 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 177.13 178.18 1pkf s ASN 299 N 0.45 6.23 0.15 -1.84 3.84 -1.16 -4.63 114.94 117.97 1pkf s ASN 299 Ca 0.31 2.72 0.21 0.00 0.21 0.00 0.00 52.86 56.32 1pkf s ASN 299 Cb 0.02 -2.64 0.86 0.00 -0.55 0.00 0.00 41.25 38.94 1pkf s ASN 299 CO -0.12 -0.91 1.65 2.30 -2.79 0.00 0.00 177.10 177.22 1pkf n ILE 300 N 0.08 0.80 -2.73 -5.21 -5.35 -1.26 -4.78 119.36 100.91 1pkf n ILE 300 Ca 0.04 0.17 -0.40 0.00 -0.27 0.00 0.00 62.75 62.28 1pkf n ILE 300 Cb 0.43 -1.00 -0.06 0.00 -1.74 0.00 0.00 39.64 37.28 1pkf n ILE 300 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 1pkf s LEU 301 N -3.87 4.61 0.01 7.28 1.43 -1.26 -0.40 118.68 126.48 1pkf s LEU 301 Ca 0.07 1.94 -0.23 0.00 -1.03 0.00 0.00 54.13 54.87 1pkf s LEU 301 Cb 0.10 -3.61 -0.17 0.00 0.03 0.00 0.00 46.19 42.54 1pkf s LEU 301 CO 0.38 0.09 1.29 -0.09 0.23 0.00 0.00 176.35 178.26 1pkf h ARG 302 N 4.45 0.19 0.00 1.70 2.43 -1.39 -3.42 114.38 118.34 1pkf h ARG 302 Ca -0.45 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 58.62 1pkf h ARG 302 Cb 1.20 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.76 1pkf h ARG 302 CO 0.69 0.64 0.00 -0.89 -1.51 0.00 0.00 179.97 178.89 1pkf n ILE 303 N -4.69 0.63 0.00 1.20 5.41 -1.26 -4.96 119.36 115.69 1pkf n ILE 303 Ca -0.07 0.21 0.00 0.00 1.00 0.00 0.00 62.75 63.88 1pkf n ILE 303 Cb 0.32 -1.23 0.00 0.00 -0.71 0.00 0.00 39.64 38.02 1pkf n ILE 303 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1pkf n GLY 304 N 3.31 -0.45 3.49 7.39 0.00 -1.25 -2.33 105.19 115.35 1pkf n GLY 304 Ca 0.00 -0.31 -0.24 0.00 0.00 0.00 0.00 46.02 45.47 1pkf n GLY 304 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1pkf s THR 305 N -1.69 0.87 0.14 2.61 -1.32 -1.15 -4.93 115.64 110.16 1pkf s THR 305 Ca 0.00 -2.00 0.09 0.00 -1.21 0.00 0.00 61.69 58.57 1pkf s THR 305 Cb 0.00 -2.54 -0.04 0.00 -1.51 0.00 0.00 72.50 68.41 1pkf s THR 305 CO 0.00 0.00 -0.22 0.68 -2.21 0.00 0.00 174.62 172.87 1pkf s VAL 306 N -3.27 1.96 0.17 5.08 -7.23 -1.26 -0.80 120.40 115.06 1pkf s VAL 306 Ca 0.29 -1.75 0.00 0.00 -1.81 0.00 0.00 61.98 58.71 1pkf s VAL 306 Cb 0.05 -1.81 -0.04 0.00 0.56 0.00 0.00 36.38 35.14 1pkf s VAL 306 CO 0.14 -0.09 0.06 -0.13 -0.31 0.00 0.00 175.10 174.78 1pkf s ARG 307 N -2.25 1.09 -0.09 4.82 1.81 0.36 -4.83 118.95 119.86 1pkf s ARG 307 Ca 0.12 -1.54 -0.00 0.00 -1.72 0.00 0.00 55.73 52.59 1pkf s ARG 307 Cb -0.09 0.05 0.02 0.00 -0.45 0.00 0.00 34.95 34.49 1pkf s ARG 307 CO 0.06 -0.26 -0.06 -0.06 -0.68 0.00 0.00 175.30 174.30 1pkf s PHE 308 N -3.93 1.21 -0.07 -0.53 0.40 0.23 0.94 117.98 116.24 1pkf s PHE 308 Ca 0.29 -0.53 -0.33 0.00 -0.60 0.00 0.00 56.93 55.76 1pkf s PHE 308 Cb 0.07 -1.06 -0.10 0.00 0.51 0.00 0.00 43.02 42.44 1pkf s PHE 308 CO 0.06 -0.41 1.95 0.00 0.70 0.00 0.00 175.22 177.51 1pkf n ALA 309 N 4.79 1.16 0.52 5.36 0.00 -0.46 -0.47 120.51 131.40 1pkf n ALA 309 Ca -0.13 0.22 0.11 0.00 0.00 0.00 0.00 53.44 53.64 1pkf n ALA 309 Cb 0.50 -2.59 0.45 0.00 0.00 0.00 0.00 19.45 17.82 1pkf n ALA 309 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1pkf n ARG 310 N 7.13 0.16 -3.52 0.00 1.74 0.14 0.00 116.66 122.31 1pkf n ARG 310 Ca 0.23 0.31 -0.15 0.00 -0.77 0.00 0.00 57.85 57.47 1pkf n ARG 310 Cb 0.34 -1.75 -0.05 0.00 -1.02 0.00 0.00 32.46 29.97 1pkf n ARG 310 CO 0.00 0.00 0.00 1.14 -1.52 0.00 0.00 177.63 177.25 1pkf s GLN 311 N -3.18 0.94 0.41 5.56 -2.07 -1.26 -4.78 119.66 115.27 1pkf s GLN 311 Ca 0.07 0.12 -0.23 0.00 -1.82 0.00 0.00 55.36 53.50 1pkf s GLN 311 Cb 0.11 0.44 -0.12 0.00 -1.09 0.00 0.00 33.01 32.35 1pkf s GLN 311 CO 0.42 -0.32 0.67 -0.25 -1.32 0.00 0.00 175.29 174.50 1pkf n ASP 312 N 0.65 -0.32 -3.60 12.60 10.43 -1.26 -4.02 116.55 131.04 1pkf n ASP 312 Ca -0.16 0.95 -0.04 0.00 2.57 0.00 0.00 54.79 58.12 1pkf n ASP 312 Cb 0.58 -1.17 -0.02 0.00 1.84 0.00 0.00 41.12 42.36 1pkf n ASP 312 CO 0.00 0.00 0.00 -1.48 -1.07 0.00 0.00 177.20 174.65 1pkf s LEU 313 N 1.18 -0.18 -0.12 0.64 2.34 0.40 -4.88 118.68 118.06 1pkf s LEU 313 Ca 0.63 -0.08 -0.10 0.00 0.06 0.00 0.00 54.13 54.64 1pkf s LEU 313 Cb -0.61 1.63 -0.05 0.00 -0.56 0.00 0.00 46.19 46.61 1pkf s LEU 313 CO 0.58 -0.42 0.20 -0.70 -1.06 0.00 0.00 176.35 174.95 1pkf s GLU 314 N -2.69 3.79 -0.23 1.48 2.56 -1.26 -0.80 118.70 121.55 1pkf s GLU 314 Ca 0.10 -0.03 -0.05 0.00 0.00 0.00 0.00 54.97 54.99 1pkf s GLU 314 Cb 0.00 -3.28 0.11 0.00 2.00 0.00 0.00 34.13 32.97 1pkf s GLU 314 CO -0.05 0.59 0.44 -0.47 -0.56 0.00 0.00 175.26 175.21 1pkf s TYR 315 N -0.53 -0.91 -1.22 5.30 5.04 -0.42 -4.91 117.35 119.69 1pkf s TYR 315 Ca 0.15 1.39 -0.02 0.00 -2.44 0.00 0.00 57.07 56.16 1pkf s TYR 315 Cb -0.13 0.28 0.01 0.00 0.35 0.00 0.00 41.96 42.47 1pkf s TYR 315 CO 0.04 -0.60 0.11 0.00 -1.34 0.00 0.00 175.55 173.77 1pkf n GLY 317 N -0.94 0.82 3.18 0.00 0.00 -1.26 -4.74 105.19 102.25 1pkf n GLY 317 Ca -0.14 -0.29 -0.21 0.00 0.00 0.00 0.00 46.02 45.38 1pkf n GLY 317 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pkf s ALA 318 N -2.00 1.36 -0.74 4.61 0.00 -0.90 -5.09 121.76 119.01 1pkf s ALA 318 Ca 0.00 -0.93 -0.16 0.00 0.00 0.00 0.00 51.96 50.87 1pkf s ALA 318 Cb 0.00 -0.22 0.16 0.00 0.00 0.00 0.00 23.12 23.07 1pkf s ALA 318 CO 0.00 0.27 0.76 -1.12 0.00 0.00 0.00 175.76 175.67 1pkf s SER 319 N -1.26 6.51 -0.06 0.00 0.01 -1.26 -1.30 113.70 116.34 1pkf s SER 319 Ca 0.03 -2.15 -0.24 0.00 1.31 0.00 0.00 55.95 54.91 1pkf s SER 319 Cb -0.08 -2.26 -0.04 0.00 0.21 0.00 0.00 66.02 63.85 1pkf s SER 319 CO 0.02 -0.82 0.71 -0.63 0.41 0.00 0.00 173.24 172.92 1pkf s ILE 320 N 1.37 5.03 0.31 1.44 1.01 0.02 -4.94 121.20 125.44 1pkf s ILE 320 Ca 0.16 1.46 -0.02 0.00 0.00 0.00 0.00 60.65 62.25 1pkf s ILE 320 Cb -0.16 -4.05 -0.04 0.00 0.01 0.00 0.00 42.46 38.22 1pkf s ILE 320 CO -0.03 0.26 0.55 -0.54 0.00 0.00 0.00 174.94 175.17 1pkf s LYS 321 N 0.75 3.56 0.18 2.79 -0.14 -1.26 -0.45 119.74 125.16 1pkf s LYS 321 Ca 0.38 -0.15 -0.33 0.00 -1.36 0.00 0.00 55.97 54.50 1pkf s LYS 321 Cb -0.18 -2.66 -0.15 0.00 -1.68 0.00 0.00 37.83 33.17 1pkf s LYS 321 CO 0.18 0.18 1.35 1.17 -0.76 0.00 0.00 175.35 177.48 1pkf n LYS 322 N -1.31 1.64 -0.36 1.68 4.81 -1.26 -2.21 118.16 121.16 1pkf n LYS 322 Ca -0.03 0.59 0.00 0.00 -0.87 0.00 0.00 58.31 58.00 1pkf n LYS 322 Cb 0.55 -2.21 0.00 0.00 0.02 0.00 0.00 35.03 33.38 1pkf n LYS 322 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1pkf n GLY 323 N 2.39 1.44 3.76 3.14 0.00 0.10 -4.80 105.19 111.22 1pkf n GLY 323 Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.77 1pkf n GLY 323 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1pkf s GLU 324 N -0.31 4.78 0.27 1.61 2.02 -0.94 -0.56 118.70 125.58 1pkf s GLU 324 Ca 0.00 1.47 -0.16 0.00 0.02 0.00 0.00 54.97 56.31 1pkf s GLU 324 Cb 0.00 -3.16 -0.08 0.00 0.10 0.00 0.00 34.13 30.98 1pkf s GLU 324 CO 0.00 0.44 0.70 1.41 0.02 0.00 0.00 175.26 177.83 1pkf s MET 325 N -1.40 4.04 -0.06 1.61 -2.45 -1.26 -1.36 119.30 118.42 1pkf s MET 325 Ca 0.43 0.66 0.02 0.00 -1.25 0.00 0.00 55.69 55.55 1pkf s MET 325 Cb -0.25 -2.61 0.02 0.00 1.25 0.00 0.00 34.83 33.24 1pkf s MET 325 CO 0.31 0.26 -0.09 0.08 1.05 0.00 0.00 175.02 176.63 1pkf s VAL 326 N -1.80 0.88 -0.11 10.11 1.01 0.27 -1.68 120.40 129.07 1pkf s VAL 326 Ca 0.49 -0.32 -0.10 0.00 0.00 0.00 0.00 61.98 62.05 1pkf s VAL 326 Cb -0.12 -0.85 -0.05 0.00 0.00 0.00 0.00 36.38 35.36 1pkf s VAL 326 CO 0.19 0.30 0.23 -0.36 0.00 0.00 0.00 175.10 175.46 1pkf s PHE 327 N 0.85 3.57 -0.39 5.22 0.40 0.11 -0.48 117.98 127.26 1pkf s PHE 327 Ca -0.12 0.61 -0.16 0.00 -0.60 0.00 0.00 56.93 56.67 1pkf s PHE 327 Cb -0.15 -2.13 0.01 0.00 0.51 0.00 0.00 43.02 41.26 1pkf s PHE 327 CO 0.01 0.55 0.36 -0.51 0.70 0.00 0.00 175.22 176.34 1pkf s LEU 328 N -0.53 4.78 -1.23 -0.37 1.43 0.02 -1.07 118.68 121.71 1pkf s LEU 328 Ca 0.16 -0.59 -0.19 0.00 -1.03 0.00 0.00 54.13 52.48 1pkf s LEU 328 Cb -0.13 -2.29 -0.01 0.00 0.03 0.00 0.00 46.19 43.79 1pkf s LEU 328 CO 0.05 -0.45 1.93 -0.11 0.23 0.00 0.00 176.35 178.00 1pkf n LEU 329 N 5.38 4.89 -0.10 1.79 7.94 -0.58 -2.95 117.00 133.38 1pkf n LEU 329 Ca -0.09 -3.65 -0.06 0.00 -1.11 0.00 0.00 56.01 51.09 1pkf n LEU 329 Cb 0.48 -1.62 0.01 0.00 0.53 0.00 0.00 43.42 42.82 1pkf n LEU 329 CO 0.42 -0.11 0.90 0.40 -1.11 0.00 0.00 177.39 177.89 1pkf h ILE 330 N 5.13 0.83 0.00 1.96 5.03 -1.77 0.04 117.51 128.73 1pkf h ILE 330 Ca 0.43 -0.06 -0.00 0.00 -0.12 0.00 0.00 64.86 65.10 1pkf h ILE 330 Cb 0.79 0.63 -0.00 0.00 -3.03 0.00 0.00 36.82 35.21 1pkf h ILE 330 CO 1.60 0.03 -0.01 1.55 -0.68 0.00 0.00 178.15 180.64 1pkf h PRO 331 N 0.18 0.00 0.00 2.37 0.13 -1.84 -1.82 132.00 131.03 1pkf h PRO 331 Ca 0.16 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.25 1pkf h PRO 331 Cb 0.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.30 1pkf h PRO 331 CO -0.21 0.01 -0.28 1.03 -0.23 0.00 0.00 178.00 178.32 1pkf h SER 332 N 0.00 0.00 -1.01 1.44 0.87 -1.38 -3.26 113.55 110.22 1pkf h SER 332 Ca -0.00 -0.62 0.26 0.00 -1.23 0.00 0.00 61.79 60.20 1pkf h SER 332 Cb 0.16 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 62.06 1pkf h SER 332 CO 0.00 0.97 0.68 0.00 -0.53 0.00 0.00 176.83 177.95 1pkf h ALA 333 N -0.38 2.52 -0.01 6.23 0.00 -0.90 -0.31 119.26 126.41 1pkf h ALA 333 Ca -0.07 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1pkf h ALA 333 Cb 0.81 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1pkf h ALA 333 CO -0.04 -0.85 -0.01 1.28 0.00 0.00 0.00 179.25 179.63 1pkf n LEU 334 N -4.45 1.14 -0.97 0.00 4.77 -0.70 -2.53 117.00 114.25 1pkf n LEU 334 Ca 0.23 -0.37 0.08 0.00 -0.03 0.00 0.00 56.01 55.91 1pkf n LEU 334 Cb 0.92 -0.01 0.26 0.00 -2.33 0.00 0.00 43.42 42.26 1pkf n LEU 334 CO 0.32 0.19 0.71 0.54 -1.33 0.00 0.00 177.39 177.82 1pkf n ARG 335 N -0.14 3.14 -2.35 3.23 5.12 -0.14 -4.73 116.66 120.81 1pkf n ARG 335 Ca 0.20 -2.69 -0.43 0.00 -1.93 0.00 0.00 57.85 52.99 1pkf n ARG 335 Cb 0.30 -1.75 -0.02 0.00 -1.16 0.00 0.00 32.46 29.82 1pkf n ARG 335 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 1pkf s ASP 336 N -1.55 6.30 0.53 0.55 -1.08 -1.05 -4.80 116.67 115.57 1pkf s ASP 336 Ca 0.40 0.78 0.35 0.00 -0.52 0.00 0.00 52.55 53.56 1pkf s ASP 336 Cb 0.30 -2.54 1.67 0.00 -1.46 0.00 0.00 42.92 40.89 1pkf s ASP 336 CO 0.12 -1.47 2.05 1.23 0.52 0.00 0.00 175.17 177.62 1pkf h GLY 337 N 12.35 0.00 0.58 2.66 0.00 -1.91 -1.45 103.07 115.30 1pkf h GLY 337 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.05 1pkf h GLY 337 CO 1.09 0.00 0.00 -1.30 0.00 0.00 0.00 176.54 176.33 1pkf n THR 338 N -2.89 0.00 0.00 4.70 -2.24 -1.26 -4.08 114.28 108.51 1pkf n THR 338 Ca -0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 1pkf n THR 338 Cb 0.19 -0.30 0.00 0.00 -2.10 0.00 0.00 70.33 68.12 1pkf n THR 338 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1pkf n VAL 339 N -0.79 0.00 -4.58 2.28 0.31 -0.62 -5.03 118.33 109.91 1pkf n VAL 339 Ca 0.14 0.00 -0.33 0.00 -0.01 0.00 0.00 64.34 64.13 1pkf n VAL 339 Cb 0.06 -0.33 -0.14 0.00 -0.91 0.00 0.00 33.84 32.53 1pkf n VAL 339 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 1pkf s PHE 340 N -1.52 2.88 0.26 3.52 0.08 -0.76 -5.07 117.98 117.36 1pkf s PHE 340 Ca 0.00 -0.61 -0.30 0.00 0.12 0.00 0.00 56.93 56.15 1pkf s PHE 340 Cb 0.00 -1.90 -0.09 0.00 -0.57 0.00 0.00 43.02 40.46 1pkf s PHE 340 CO 0.00 -0.22 1.06 -1.12 -0.10 0.00 0.00 175.22 174.85 1pkf s SER 341 N 0.49 7.35 -1.17 1.36 0.01 -1.26 -3.66 113.70 116.83 1pkf s SER 341 Ca -0.07 2.17 -0.17 0.00 1.31 0.00 0.00 55.95 59.19 1pkf s SER 341 Cb -0.15 -2.62 -0.01 0.00 0.21 0.00 0.00 66.02 63.45 1pkf s SER 341 CO 0.04 -0.09 0.76 0.54 0.41 0.00 0.00 173.24 174.90 1pkf n ARG 342 N 1.43 -1.75 0.27 12.44 1.74 -1.26 -4.82 116.66 124.71 1pkf n ARG 342 Ca -0.01 0.48 0.16 0.00 -0.77 0.00 0.00 57.85 57.72 1pkf n ARG 342 Cb 0.45 -4.33 0.91 0.00 -1.02 0.00 0.00 32.46 28.47 1pkf n ARG 342 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 1pkf h PRO 343 N -1.85 0.00 -0.61 5.56 0.13 -1.87 -2.38 132.00 130.98 1pkf h PRO 343 Ca -0.66 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.47 1pkf h PRO 343 Cb 1.36 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.49 1pkf h PRO 343 CO 0.50 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.02 1pkf n ASP 344 N -3.76 5.42 -4.42 1.44 8.00 -1.26 -4.84 116.55 117.12 1pkf n ASP 344 Ca -0.01 -2.76 -0.33 0.00 0.71 0.00 0.00 54.79 52.40 1pkf n ASP 344 Cb 0.17 -0.65 -0.14 0.00 -0.02 0.00 0.00 41.12 40.48 1pkf n ASP 344 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1pkf s VAL 345 N -2.45 2.91 -0.63 2.53 1.01 -0.90 -5.08 120.40 117.80 1pkf s VAL 345 Ca 0.54 -0.76 -0.26 0.00 0.00 0.00 0.00 61.98 61.50 1pkf s VAL 345 Cb 0.39 -2.15 0.04 0.00 0.00 0.00 0.00 36.38 34.65 1pkf s VAL 345 CO 0.19 0.57 1.13 0.12 0.00 0.00 0.00 175.10 177.11 1pkf s PHE 346 N -0.37 2.57 -0.38 5.22 5.36 -1.26 -4.97 117.98 124.14 1pkf s PHE 346 Ca 0.04 0.07 0.03 0.00 -0.96 0.00 0.00 56.93 56.10 1pkf s PHE 346 Cb -0.12 -4.42 0.11 0.00 -0.34 0.00 0.00 43.02 38.25 1pkf s PHE 346 CO 0.02 -1.68 0.12 0.34 -1.46 0.00 0.00 175.22 172.57 1pkf s ASP 347 N 3.24 4.40 0.00 6.13 2.15 -1.26 -4.91 116.67 126.42 1pkf s ASP 347 Ca 0.35 -2.29 0.17 0.00 0.43 0.00 0.00 52.55 51.21 1pkf s ASP 347 Cb -0.10 -1.41 0.92 0.00 -0.30 0.00 0.00 42.92 42.04 1pkf s ASP 347 CO 0.19 -0.34 1.47 1.33 -0.17 0.00 0.00 175.17 177.65 1pkf n VAL 348 N 4.05 0.31 0.87 1.11 0.24 -1.26 -2.01 118.33 121.63 1pkf n VAL 348 Ca 0.04 0.08 0.11 0.00 -2.04 0.00 0.00 64.34 62.52 1pkf n VAL 348 Cb 0.39 -0.80 -0.01 0.00 -1.47 0.00 0.00 33.84 31.95 1pkf n VAL 348 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1pkf n ARG 349 N -1.17 0.09 -0.90 7.34 1.74 -1.26 -4.25 116.66 118.24 1pkf n ARG 349 Ca 0.10 -0.01 -0.30 0.00 -0.77 0.00 0.00 57.85 56.87 1pkf n ARG 349 Cb 0.10 -1.52 0.17 0.00 -1.02 0.00 0.00 32.46 30.20 1pkf n ARG 349 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 1pkf s ARG 350 N -3.06 0.73 -0.30 5.56 1.70 -0.85 -4.95 118.95 117.76 1pkf s ARG 350 Ca 0.07 1.06 -0.28 0.00 -0.47 0.00 0.00 55.73 56.11 1pkf s ARG 350 Cb 0.16 -1.73 0.01 0.00 -0.57 0.00 0.00 34.95 32.83 1pkf s ARG 350 CO 0.82 -2.68 1.04 0.34 -1.08 0.00 0.00 175.30 173.74 1pkf s ASP 351 N -2.98 6.93 0.00 -2.89 2.15 -1.26 -4.91 116.67 113.71 1pkf s ASP 351 Ca 0.65 1.05 0.17 0.00 0.43 0.00 0.00 52.55 54.86 1pkf s ASP 351 Cb -0.21 -2.53 0.37 0.00 -0.30 0.00 0.00 42.92 40.26 1pkf s ASP 351 CO 0.59 -0.82 1.30 0.35 -0.17 0.00 0.00 175.17 176.42 1pkf n THR 352 N 5.75 0.66 -0.03 1.71 -2.24 -1.26 -4.51 114.28 114.36 1pkf n THR 352 Ca 0.11 -0.83 0.22 0.00 -2.27 0.00 0.00 64.05 61.27 1pkf n THR 352 Cb 0.47 0.79 0.69 0.00 -2.10 0.00 0.00 70.33 70.19 1pkf n THR 352 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1pkf h SER 353 N 3.35 0.01 0.55 3.42 0.02 -2.00 -0.13 113.55 118.77 1pkf h SER 353 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1pkf h SER 353 Cb 0.83 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.37 1pkf h SER 353 CO 0.00 0.00 -0.15 0.00 -1.14 0.00 0.00 176.83 175.54 1pkf n ALA 354 N -2.65 2.79 -1.62 3.77 0.00 -1.26 -4.86 120.51 116.67 1pkf n ALA 354 Ca 0.11 -0.24 -0.49 0.00 0.00 0.00 0.00 53.44 52.82 1pkf n ALA 354 Cb 0.67 -1.33 -0.05 0.00 0.00 0.00 0.00 19.45 18.73 1pkf n ALA 354 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1pkf n SER 355 N -1.21 2.19 -1.49 0.00 2.88 -0.06 -4.88 113.62 111.05 1pkf n SER 355 Ca 0.11 1.11 0.09 0.00 -1.33 0.00 0.00 58.87 58.85 1pkf n SER 355 Cb 0.30 -1.28 0.33 0.00 -0.75 0.00 0.00 64.21 62.81 1pkf n SER 355 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1pkf n LEU 356 N 2.81 4.40 0.26 2.46 4.77 -1.26 -4.67 117.00 125.78 1pkf n LEU 356 Ca 0.18 -2.22 0.11 0.00 -0.03 0.00 0.00 56.01 54.05 1pkf n LEU 356 Cb 0.23 -0.55 0.72 0.00 -2.33 0.00 0.00 43.42 41.49 1pkf n LEU 356 CO 0.63 0.77 1.01 0.00 -1.33 0.00 0.00 177.39 178.47 1pkf h ALA 357 N 4.08 1.52 -0.50 -1.18 0.00 -1.89 -0.07 119.26 121.21 1pkf h ALA 357 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1pkf h ALA 357 Cb 1.33 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1pkf h ALA 357 CO 0.20 0.12 0.00 0.66 0.00 0.00 0.00 179.25 180.23 1pkf n TYR 358 N -3.95 1.14 -0.34 0.00 4.02 -1.26 -5.06 117.16 111.71 1pkf n TYR 358 Ca -0.02 -0.64 0.00 0.00 -0.01 0.00 0.00 57.90 57.23 1pkf n TYR 358 Cb 0.18 -0.21 0.00 0.00 -0.02 0.00 0.00 39.34 39.30 1pkf n TYR 358 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1pkf n GLY 359 N 0.66 -2.97 3.35 2.72 0.00 -0.04 -1.22 105.19 107.68 1pkf n GLY 359 Ca 0.22 -1.76 -0.15 0.00 0.00 0.00 0.00 46.02 44.32 1pkf n GLY 359 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1pkf s ARG 360 N -0.86 0.77 0.30 1.61 1.81 -1.26 -4.85 118.95 116.48 1pkf s ARG 360 Ca 0.00 0.08 0.00 0.00 -1.72 0.00 0.00 55.73 54.09 1pkf s ARG 360 Cb 0.00 0.35 0.00 0.00 -0.45 0.00 0.00 34.95 34.85 1pkf s ARG 360 CO 0.00 -0.21 0.00 0.41 -0.68 0.00 0.00 175.30 174.82 1pkf n GLY 361 N 1.40 -1.80 0.34 -3.53 0.00 -1.26 -4.32 105.19 96.02 1pkf n GLY 361 Ca -0.20 -1.90 0.18 0.00 0.00 0.00 0.00 46.02 44.10 1pkf n GLY 361 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1pkf h PRO 362 N 0.00 0.00 -0.59 1.61 0.11 -1.99 -2.62 132.00 128.52 1pkf h PRO 362 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1pkf h PRO 362 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1pkf h PRO 362 CO 0.00 0.00 0.00 0.72 -0.21 0.00 0.00 178.00 178.51 1pkf n HIS 363 N -3.43 1.16 -1.64 0.65 8.25 -1.26 -4.96 115.22 113.98 1pkf n HIS 363 Ca 0.01 -0.59 -0.45 0.00 -0.26 0.00 0.00 57.72 56.43 1pkf n HIS 363 Cb 0.33 -0.15 -0.02 0.00 1.12 0.00 0.00 29.99 31.27 1pkf n HIS 363 CO 0.00 0.00 0.00 1.55 0.64 0.00 0.00 176.34 178.53 1pkf n VAL 364 N 1.04 1.46 -1.68 1.59 3.14 -0.99 -4.76 118.33 118.13 1pkf n VAL 364 Ca 0.23 -0.37 -0.46 0.00 -2.96 0.00 0.00 64.34 60.78 1pkf n VAL 364 Cb 0.75 -1.26 -0.04 0.00 -1.06 0.00 0.00 33.84 32.23 1pkf n VAL 364 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1pkf h PRO 366 N 8.91 0.00 -0.35 0.00 0.13 -1.91 -3.26 132.00 135.52 1pkf h PRO 366 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1pkf h PRO 366 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1pkf h PRO 366 CO 0.94 0.32 0.00 0.41 -0.23 0.00 0.00 178.00 179.44 1pkf n GLY 367 N 0.25 0.54 0.20 1.56 0.00 -1.26 -4.42 105.19 102.05 1pkf n GLY 367 Ca 0.00 -0.32 -0.05 0.00 0.00 0.00 0.00 46.02 45.65 1pkf n GLY 367 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1pkf h VAL 368 N 1.67 0.98 -0.25 1.61 3.04 -1.90 0.92 116.25 122.32 1pkf h VAL 368 Ca 0.00 -0.17 -0.09 0.00 -1.01 0.00 0.00 66.70 65.43 1pkf h VAL 368 Cb 0.46 0.43 -0.01 0.00 -2.01 0.00 0.00 31.29 30.15 1pkf h VAL 368 CO 0.02 0.09 -0.21 0.28 -1.01 0.00 0.00 177.57 176.74 1pkf h SER 369 N 0.51 0.46 -0.32 3.17 0.02 -1.79 -1.62 113.55 113.96 1pkf h SER 369 Ca 0.21 -0.14 -0.09 0.00 -0.84 0.00 0.00 61.79 60.94 1pkf h SER 369 Cb 0.10 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.51 1pkf h SER 369 CO -0.14 0.68 -0.14 0.25 -1.14 0.00 0.00 176.83 176.34 1pkf h LEU 370 N 0.42 0.68 -0.57 5.07 5.85 -1.62 -1.85 115.31 123.28 1pkf h LEU 370 Ca 0.07 -0.40 -0.01 0.00 0.84 0.00 0.00 57.88 58.38 1pkf h LEU 370 Cb 0.60 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.42 1pkf h LEU 370 CO 0.04 0.93 0.31 0.00 -0.34 0.00 0.00 178.44 179.38 1pkf h ALA 371 N 0.77 0.73 -0.53 1.25 0.00 -0.64 -1.29 119.26 119.56 1pkf h ALA 371 Ca 0.07 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 1pkf h ALA 371 Cb 0.66 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1pkf h ALA 371 CO 0.04 0.26 0.06 0.00 0.00 0.00 0.00 179.25 179.61 1pkf h ARG 372 N 0.77 0.89 -0.16 0.00 3.08 -1.26 -1.78 114.38 115.92 1pkf h ARG 372 Ca 0.20 -0.25 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 1pkf h ARG 372 Cb 0.06 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 1pkf h ARG 372 CO -0.03 0.88 0.06 1.25 -1.07 0.00 0.00 179.97 181.06 1pkf h LEU 373 N 0.77 0.22 -0.51 3.04 5.85 -1.10 -0.15 115.31 123.43 1pkf h LEU 373 Ca 0.16 -0.17 0.04 0.00 0.84 0.00 0.00 57.88 58.75 1pkf h LEU 373 Cb 0.44 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.37 1pkf h LEU 373 CO 0.01 0.34 0.27 -0.33 -0.34 0.00 0.00 178.44 178.39 1pkf h GLU 374 N 0.10 0.51 -0.22 1.25 5.08 -1.19 -1.49 114.58 118.61 1pkf h GLU 374 Ca 0.05 -0.03 -0.18 0.00 -1.00 0.00 0.00 59.36 58.20 1pkf h GLU 374 Cb 0.19 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.32 1pkf h GLU 374 CO -0.00 0.34 -0.58 0.00 -1.00 0.00 0.00 179.01 177.77 1pkf h ALA 375 N 1.27 0.37 -0.34 3.43 0.00 -1.19 0.35 119.26 123.14 1pkf h ALA 375 Ca 0.22 -0.52 0.06 0.00 0.00 0.00 0.00 54.91 54.66 1pkf h ALA 375 Cb 0.12 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.81 1pkf h ALA 375 CO -0.15 0.61 0.03 1.49 0.00 0.00 0.00 179.25 181.23 1pkf h GLU 376 N 0.53 0.13 -0.40 0.00 4.81 -0.91 0.40 114.58 119.13 1pkf h GLU 376 Ca -0.01 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.17 1pkf h GLU 376 Cb 1.19 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.53 1pkf h GLU 376 CO 0.13 0.09 0.09 0.82 -0.73 0.00 0.00 179.01 179.40 1pkf h ILE 377 N 0.13 1.23 -0.07 2.32 2.04 -1.18 0.23 117.51 122.22 1pkf h ILE 377 Ca 0.16 -0.81 -0.14 0.00 1.00 0.00 0.00 64.86 65.07 1pkf h ILE 377 Cb 0.21 0.99 0.01 0.00 -0.74 0.00 0.00 36.82 37.29 1pkf h ILE 377 CO -0.25 0.28 -0.50 0.00 0.00 0.00 0.00 178.15 177.69 1pkf h ALA 378 N 0.94 0.15 0.08 1.87 0.00 -0.58 -0.66 119.26 121.07 1pkf h ALA 378 Ca 0.13 -0.51 -0.21 0.00 0.00 0.00 0.00 54.91 54.31 1pkf h ALA 378 Cb 0.33 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.14 1pkf h ALA 378 CO 0.00 0.34 -0.88 0.28 0.00 0.00 0.00 179.25 178.99 1pkf h VAL 379 N 0.01 1.41 0.05 0.00 2.07 -0.27 -2.78 116.25 116.74 1pkf h VAL 379 Ca -0.04 -2.35 0.03 0.00 0.82 0.00 0.00 66.70 65.16 1pkf h VAL 379 Cb 1.16 2.82 -0.05 0.00 -1.52 0.00 0.00 31.29 33.70 1pkf h VAL 379 CO 0.10 0.69 -0.41 1.23 0.02 0.00 0.00 177.57 179.20 1pkf h GLY 380 N -0.06 -0.78 0.32 2.17 0.00 -0.61 -2.80 103.07 101.31 1pkf h GLY 380 Ca -0.13 0.49 0.09 0.00 0.00 0.00 0.00 47.33 47.78 1pkf h GLY 380 CO 0.17 -0.25 0.13 -0.84 0.00 0.00 0.00 176.54 175.75 1pkf h THR 381 N -0.59 0.71 -0.37 4.70 2.02 -1.19 -1.25 112.91 116.93 1pkf h THR 381 Ca 0.04 -0.09 -0.13 0.00 0.77 0.00 0.00 66.41 67.00 1pkf h THR 381 Cb 0.65 0.41 -0.01 0.00 -1.74 0.00 0.00 68.15 67.46 1pkf h THR 381 CO -0.28 0.05 -0.28 -0.29 0.37 0.00 0.00 175.52 175.08 1pkf h ILE 382 N 0.28 1.28 0.00 3.11 2.10 -1.37 -1.00 117.51 121.90 1pkf h ILE 382 Ca 0.28 -1.42 -0.10 0.00 1.08 0.00 0.00 64.86 64.70 1pkf h ILE 382 Cb 0.38 1.30 -0.01 0.00 -1.09 0.00 0.00 36.82 37.39 1pkf h ILE 382 CO -0.34 0.47 -0.46 -0.26 -1.08 0.00 0.00 178.15 176.48 1pkf h PHE 383 N 0.66 0.00 0.02 2.19 -1.00 -1.28 -1.48 116.94 116.05 1pkf h PHE 383 Ca 0.08 0.00 -0.25 0.00 2.81 0.00 0.00 57.97 60.61 1pkf h PHE 383 Cb 0.81 0.00 0.01 0.00 3.61 0.00 0.00 35.95 40.39 1pkf h PHE 383 CO 0.04 0.46 -1.03 0.00 -1.61 0.00 0.00 178.31 176.17 1pkf h ARG 384 N 0.00 0.54 0.00 1.51 3.08 -0.80 -2.74 114.38 115.97 1pkf h ARG 384 Ca -0.00 -0.60 0.00 0.00 0.07 0.00 0.00 59.98 59.44 1pkf h ARG 384 Cb 1.24 0.18 0.00 0.00 0.08 0.00 0.00 29.97 31.47 1pkf h ARG 384 CO 0.06 1.22 -0.76 0.00 -1.07 0.00 0.00 179.97 179.42 1pkf h ARG 385 N 0.29 0.00 -2.01 0.04 3.08 -1.24 -3.39 114.38 111.15 1pkf h ARG 385 Ca -0.11 0.00 -0.54 0.00 0.07 0.00 0.00 59.98 59.40 1pkf h ARG 385 Cb 1.68 0.00 -0.39 0.00 0.08 0.00 0.00 29.97 31.33 1pkf h ARG 385 CO 0.19 0.00 -1.12 1.19 -1.07 0.00 0.00 179.97 179.16 1pkf n PHE 386 N -2.40 -0.04 0.29 3.04 3.01 -0.56 -5.00 117.46 115.80 1pkf n PHE 386 Ca 0.02 -3.66 0.14 0.00 1.01 0.00 0.00 57.45 54.96 1pkf n PHE 386 Cb 0.49 -0.38 0.87 0.00 -0.01 0.00 0.00 39.48 40.46 1pkf n PHE 386 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1pkf h PRO 387 N 3.69 0.00 -0.63 -1.08 0.13 -1.69 -2.42 132.00 130.00 1pkf h PRO 387 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 1pkf h PRO 387 Cb 0.90 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.03 1pkf h PRO 387 CO 0.49 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.65 1pkf n GLU 388 N -3.95 4.18 -1.53 0.86 -0.58 -1.26 -5.00 120.64 113.35 1pkf n GLU 388 Ca -0.03 -2.92 -0.45 0.00 -0.42 0.00 0.00 57.16 53.34 1pkf n GLU 388 Cb 0.08 -2.05 -0.02 0.00 -0.57 0.00 0.00 31.44 28.89 1pkf n GLU 388 CO 0.00 0.00 0.00 -0.12 -0.48 0.00 0.00 177.13 176.53 1pkf n MET 389 N 0.89 0.93 -4.02 3.49 0.00 -0.91 -4.61 117.12 112.89 1pkf n MET 389 Ca 0.26 0.33 -0.13 0.00 -0.00 0.00 0.00 57.70 58.15 1pkf n MET 389 Cb 1.01 -1.59 -0.14 0.00 0.00 0.00 0.00 33.22 32.51 1pkf n MET 389 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 175.97 176.18 1pkf s LYS 390 N -1.40 0.26 0.05 2.12 2.20 -0.60 -4.98 119.74 117.39 1pkf s LYS 390 Ca 0.60 -0.21 -0.30 0.00 -0.36 0.00 0.00 55.97 55.70 1pkf s LYS 390 Cb -0.76 -0.19 -0.08 0.00 -1.51 0.00 0.00 37.83 35.29 1pkf s LYS 390 CO 0.59 0.05 1.76 -1.17 -0.36 0.00 0.00 175.35 176.22 1pkf s LEU 391 N -0.35 4.38 0.22 5.43 2.96 -1.26 -0.81 118.68 129.25 1pkf s LEU 391 Ca -0.02 2.55 0.19 0.00 -0.22 0.00 0.00 54.13 56.63 1pkf s LEU 391 Cb -0.03 -3.55 0.04 0.00 0.50 0.00 0.00 46.19 43.15 1pkf s LEU 391 CO -0.00 -0.96 1.18 0.50 -1.32 0.00 0.00 176.35 175.75 1pkf h LYS 392 N 9.10 0.00 -2.19 1.98 3.64 -1.46 -3.46 116.57 124.17 1pkf h LYS 392 Ca -0.44 0.00 0.16 0.00 -1.27 0.00 0.00 60.65 59.09 1pkf h LYS 392 Cb 1.21 0.00 -0.13 0.00 -0.41 0.00 0.00 32.23 32.90 1pkf h LYS 392 CO 0.94 0.21 0.53 -1.83 -2.27 0.00 0.00 179.45 177.03 1pkf s GLU 393 N -3.11 0.89 0.19 1.90 -1.05 -1.22 -5.02 118.70 111.28 1pkf s GLU 393 Ca 0.01 -0.41 -0.33 0.00 -0.15 0.00 0.00 54.97 54.10 1pkf s GLU 393 Cb 0.08 0.36 -0.14 0.00 -0.44 0.00 0.00 34.13 33.99 1pkf s GLU 393 CO 0.76 -0.40 1.53 2.41 0.95 0.00 0.00 175.26 180.52 1pkf n THR 394 N -0.33 0.32 -1.74 1.83 -1.04 -1.26 -4.60 114.28 107.46 1pkf n THR 394 Ca -0.07 -0.08 -0.41 0.00 -2.04 0.00 0.00 64.05 61.45 1pkf n THR 394 Cb 0.61 -1.55 0.00 0.00 -1.82 0.00 0.00 70.33 67.58 1pkf n THR 394 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 1pkf n PRO 395 N 2.97 2.33 -3.46 -2.82 -0.02 -1.26 -4.89 135.00 127.85 1pkf n PRO 395 Ca 0.15 0.82 -0.38 0.00 -2.02 0.00 0.00 63.50 62.07 1pkf n PRO 395 Cb 0.30 -2.51 -0.08 0.00 -0.02 0.00 0.00 33.50 31.18 1pkf n PRO 395 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1pkf s VAL 396 N -1.13 5.24 0.25 -1.45 1.01 -1.07 -5.01 120.40 118.23 1pkf s VAL 396 Ca 0.56 0.53 0.07 0.00 0.00 0.00 0.00 61.98 63.15 1pkf s VAL 396 Cb -0.51 -3.66 -0.04 0.00 0.00 0.00 0.00 36.38 32.18 1pkf s VAL 396 CO 0.62 0.25 0.15 -0.36 0.00 0.00 0.00 175.10 175.76 1pkf s PHE 397 N 1.43 3.03 0.00 5.22 0.08 -1.26 -0.20 117.98 126.28 1pkf s PHE 397 Ca 0.15 -0.13 0.00 0.00 0.12 0.00 0.00 56.93 57.07 1pkf s PHE 397 Cb -0.15 -1.37 0.00 0.00 -0.57 0.00 0.00 43.02 40.94 1pkf s PHE 397 CO 0.08 0.54 0.00 0.41 -0.10 0.00 0.00 175.22 176.15 1pkf n GLY 398 N -1.05 5.18 0.85 4.36 0.00 -0.61 -4.85 105.19 109.06 1pkf n GLY 398 Ca -0.08 -1.81 0.05 0.00 0.00 0.00 0.00 46.02 44.19 1pkf n GLY 398 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1pkf n TYR 399 N 0.00 0.00 -1.57 1.61 4.02 -1.26 -4.66 117.16 115.30 1pkf n TYR 399 Ca 0.00 -0.90 -0.50 0.00 -0.01 0.00 0.00 57.90 56.49 1pkf n TYR 399 Cb 0.00 -0.18 -0.05 0.00 -0.02 0.00 0.00 39.34 39.10 1pkf n TYR 399 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 176.86 177.43 1pkf n HIS 400 N -0.44 1.24 0.24 -0.72 -0.00 -1.26 -4.48 115.22 109.81 1pkf n HIS 400 Ca 0.12 0.70 0.11 0.00 0.46 0.00 0.00 57.72 59.11 1pkf n HIS 400 Cb 0.85 -2.27 0.60 0.00 -0.12 0.00 0.00 29.99 29.06 1pkf n HIS 400 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 1pkf h PRO 401 N 3.52 0.00 0.00 1.57 0.13 -1.97 -3.27 132.00 131.98 1pkf h PRO 401 Ca -0.44 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.36 1pkf h PRO 401 Cb 1.35 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.42 1pkf h PRO 401 CO 0.71 0.18 -2.25 0.00 -0.23 0.00 0.00 178.00 176.41 1pkf n ALA 402 N -2.26 1.59 -2.39 -0.56 0.00 -1.26 -4.80 120.51 110.82 1pkf n ALA 402 Ca -0.01 -1.19 -0.30 0.00 0.00 0.00 0.00 53.44 51.94 1pkf n ALA 402 Cb 0.33 -0.16 -0.13 0.00 0.00 0.00 0.00 19.45 19.49 1pkf n ALA 402 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1pkf s PHE 403 N -2.48 2.36 -1.31 0.00 2.99 -1.23 -1.15 117.98 117.17 1pkf s PHE 403 Ca -0.09 -0.36 -0.18 0.00 0.00 0.00 0.00 56.93 56.30 1pkf s PHE 403 Cb 0.06 -1.33 0.04 0.00 0.00 0.00 0.00 43.02 41.79 1pkf s PHE 403 CO 0.76 0.27 1.87 0.54 -0.00 0.00 0.00 175.22 178.65 1pkf n ARG 404 N 1.23 2.93 -2.59 0.44 1.74 0.46 -4.11 116.66 116.76 1pkf n ARG 404 Ca -0.17 -3.02 -0.42 0.00 -0.77 0.00 0.00 57.85 53.47 1pkf n ARG 404 Cb 0.53 -3.46 -0.03 0.00 -1.02 0.00 0.00 32.46 28.48 1pkf n ARG 404 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1pkf s ASN 405 N 4.25 7.19 -0.21 0.55 4.22 -1.26 -4.92 114.94 124.75 1pkf s ASN 405 Ca 0.54 1.71 -0.20 0.00 -2.14 0.00 0.00 52.86 52.77 1pkf s ASN 405 Cb 0.06 -2.56 -0.02 0.00 1.28 0.00 0.00 41.25 40.00 1pkf s ASN 405 CO 0.05 -0.46 0.61 -0.63 -2.04 0.00 0.00 177.10 174.63 1pkf s ILE 406 N 1.77 5.03 -0.01 0.54 1.01 -1.26 -1.57 121.20 126.70 1pkf s ILE 406 Ca 0.53 1.12 0.03 0.00 0.00 0.00 0.00 60.65 62.33 1pkf s ILE 406 Cb -0.22 -3.92 -0.25 0.00 0.01 0.00 0.00 42.46 38.08 1pkf s ILE 406 CO 0.23 0.10 0.79 -0.33 0.00 0.00 0.00 174.94 175.72 1pkf h GLU 407 N 7.61 0.13 -2.91 2.79 5.08 -0.91 -3.48 114.58 122.88 1pkf h GLU 407 Ca -0.30 -0.22 -0.12 0.00 -1.00 0.00 0.00 59.36 57.72 1pkf h GLU 407 Cb 1.14 0.08 -0.21 0.00 0.50 0.00 0.00 28.75 30.26 1pkf h GLU 407 CO 0.77 0.89 -0.25 -1.54 -1.00 0.00 0.00 179.01 177.88 1pkf s SER 408 N -6.63 -0.27 -0.38 1.42 1.04 -1.22 -4.57 113.70 103.08 1pkf s SER 408 Ca -0.08 0.30 0.02 0.00 0.48 0.00 0.00 55.95 56.68 1pkf s SER 408 Cb 0.08 0.45 0.16 0.00 0.10 0.00 0.00 66.02 66.80 1pkf s SER 408 CO 0.83 -0.37 0.32 -0.22 0.98 0.00 0.00 173.24 174.78 1pkf s LEU 409 N -0.92 0.62 -0.09 2.42 2.96 -1.26 -2.59 118.68 119.81 1pkf s LEU 409 Ca -0.10 -2.19 -0.24 0.00 -0.22 0.00 0.00 54.13 51.37 1pkf s LEU 409 Cb -0.04 0.02 -0.03 0.00 0.50 0.00 0.00 46.19 46.64 1pkf s LEU 409 CO 0.04 -0.24 0.76 0.20 -1.32 0.00 0.00 176.35 175.78 1pkf s ASN 410 N 0.92 7.00 0.32 3.68 0.02 -1.26 -0.37 114.94 125.25 1pkf s ASN 410 Ca 0.22 1.21 0.03 0.00 -1.02 0.00 0.00 52.86 53.30 1pkf s ASN 410 Cb -0.13 -2.44 -0.04 0.00 0.02 0.00 0.00 41.25 38.67 1pkf s ASN 410 CO -0.05 -0.21 0.13 0.68 0.02 0.00 0.00 177.10 177.66 1pkf s VAL 411 N 1.23 0.55 -0.21 1.60 -7.23 -0.25 -1.22 120.40 114.88 1pkf s VAL 411 Ca 0.39 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.57 1pkf s VAL 411 Cb -0.18 -2.54 0.04 0.00 0.56 0.00 0.00 36.38 34.26 1pkf s VAL 411 CO 0.17 0.00 -0.14 -0.63 -0.31 0.00 0.00 175.10 174.19 1pkf s ILE 412 N -3.49 1.95 -0.03 -0.62 1.01 0.01 -2.94 121.20 117.09 1pkf s ILE 412 Ca 0.34 -1.16 -0.14 0.00 0.00 0.00 0.00 60.65 59.68 1pkf s ILE 412 Cb 0.05 -1.93 -0.08 0.00 0.01 0.00 0.00 42.46 40.51 1pkf s ILE 412 CO 0.16 0.26 0.63 -0.07 0.00 0.00 0.00 174.94 175.92 1pkf h LEU 413 N 7.90 -0.44 -7.55 2.97 4.07 -1.87 -1.60 115.31 118.80 1pkf h LEU 413 Ca -0.32 0.02 -0.73 0.00 0.08 0.00 0.00 57.88 56.92 1pkf h LEU 413 Cb 1.10 0.11 -0.33 0.00 1.08 0.00 0.00 40.66 42.63 1pkf h LEU 413 CO 0.53 -0.05 -0.11 -0.54 -1.08 0.00 0.00 178.44 177.20 1pkf s LYS 414 N -3.26 3.16 0.16 1.13 1.02 -1.26 -2.90 119.74 117.79 1pkf s LYS 414 Ca -0.08 -2.81 -0.30 0.00 0.02 0.00 0.00 55.97 52.80 1pkf s LYS 414 Cb 0.01 -4.03 -0.07 0.00 -0.52 0.00 0.00 37.83 33.22 1pkf s LYS 414 CO 0.23 -1.23 1.15 -2.14 -0.92 0.00 0.00 175.35 172.43 1pkf s PRO 415 N -0.52 4.53 0.00 -1.68 0.02 -1.26 -5.12 135.00 130.97 1pkf s PRO 415 Ca 0.22 1.77 0.00 0.00 0.02 0.00 0.00 61.00 63.01 1pkf s PRO 415 Cb -0.13 -3.28 0.00 0.00 0.02 0.00 0.00 34.50 31.11 1pkf s PRO 415 CO -0.08 -0.04 0.33 0.43 -0.33 0.00 0.00 177.00 177.32