#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ppf s THR 5 N 0.00 2.61 0.20 0.00 -4.23 -1.26 -4.82 115.64 108.14 2ppf s THR 5 Ca 0.00 0.20 -0.11 0.00 -1.18 0.00 0.00 61.69 60.60 2ppf s THR 5 Cb 0.00 -2.93 0.11 0.00 1.34 0.00 0.00 72.50 71.02 2ppf s THR 5 CO 0.00 -0.26 1.82 0.00 -0.54 0.00 0.00 174.62 175.64 2ppf h ALA 6 N -1.28 0.80 -0.40 3.99 0.00 -2.05 -1.43 119.26 118.88 2ppf h ALA 6 Ca -0.49 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.33 2ppf h ALA 6 Cb 1.30 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 2ppf h ALA 6 CO 0.60 0.07 -0.12 0.00 0.00 0.00 0.00 179.25 179.81 2ppf h ALA 7 N 1.29 1.05 -0.57 0.00 0.00 -1.98 -1.61 119.26 117.43 2ppf h ALA 7 Ca 0.26 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 2ppf h ALA 7 Cb 0.08 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 2ppf h ALA 7 CO -0.13 0.58 0.34 0.93 0.00 0.00 0.00 179.25 180.97 2ppf h GLU 8 N 0.65 0.77 -0.31 0.00 5.08 -1.73 -0.81 114.58 118.22 2ppf h GLU 8 Ca 0.11 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.36 2ppf h GLU 8 Cb 0.57 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 2ppf h GLU 8 CO 0.04 0.56 0.03 0.82 -1.00 0.00 0.00 179.01 179.46 2ppf h ILE 9 N 0.76 1.24 0.00 3.13 2.04 -1.13 -2.84 117.51 120.72 2ppf h ILE 9 Ca 0.20 -0.87 -0.02 0.00 1.00 0.00 0.00 64.86 65.17 2ppf h ILE 9 Cb -0.01 1.20 -0.00 0.00 -0.74 0.00 0.00 36.82 37.27 2ppf h ILE 9 CO -0.04 0.29 -0.11 0.00 0.00 0.00 0.00 178.15 178.29 2ppf h ALA 10 N 0.87 1.73 0.00 1.87 0.00 -1.12 -2.65 119.26 119.95 2ppf h ALA 10 Ca 0.09 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2ppf h ALA 10 Cb 0.39 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2ppf h ALA 10 CO 0.01 0.14 -0.17 0.00 0.00 0.00 0.00 179.25 179.23 2ppf n ALA 11 N -2.48 2.64 -1.76 0.00 0.00 -0.32 -4.91 120.51 113.69 2ppf n ALA 11 Ca -0.03 -0.15 -0.38 0.00 0.00 0.00 0.00 53.44 52.88 2ppf n ALA 11 Cb 0.19 -1.36 0.03 0.00 0.00 0.00 0.00 19.45 18.30 2ppf n ALA 11 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2ppf s LEU 12 N -3.42 3.90 0.53 0.00 1.43 -1.00 -4.95 118.68 115.17 2ppf s LEU 12 Ca 0.12 2.67 -0.21 0.00 -1.03 0.00 0.00 54.13 55.68 2ppf s LEU 12 Cb 0.17 -4.24 -0.05 0.00 0.03 0.00 0.00 46.19 42.09 2ppf s LEU 12 CO 0.60 -1.40 1.25 -2.84 0.23 0.00 0.00 176.35 174.18 2ppf s PRO 13 N -2.83 3.29 -0.14 1.29 0.02 -1.26 -4.77 135.00 130.60 2ppf s PRO 13 Ca 0.69 1.96 -0.04 0.00 0.02 0.00 0.00 61.00 63.63 2ppf s PRO 13 Cb -0.38 -2.21 -0.03 0.00 0.02 0.00 0.00 34.50 31.90 2ppf s PRO 13 CO 0.45 -0.99 0.00 1.03 -0.33 0.00 0.00 177.00 177.17 2ppf s ARG 14 N -2.97 3.55 -0.09 5.54 3.00 -1.26 -0.81 118.95 125.92 2ppf s ARG 14 Ca 0.71 -0.43 -0.00 0.00 0.00 0.00 0.00 55.73 56.00 2ppf s ARG 14 Cb -0.34 -2.96 0.02 0.00 0.00 0.00 0.00 34.95 31.68 2ppf s ARG 14 CO 0.39 0.40 -0.05 -1.14 0.00 0.00 0.00 175.30 174.90 2ppf s GLN 15 N -0.03 1.14 0.16 3.54 0.74 -0.35 -4.97 119.66 119.90 2ppf s GLN 15 Ca 0.03 -0.13 -0.27 0.00 0.05 0.00 0.00 55.36 55.04 2ppf s GLN 15 Cb -0.13 -1.26 -0.08 0.00 1.10 0.00 0.00 33.01 32.64 2ppf s GLN 15 CO 0.02 -0.23 0.85 0.15 -0.55 0.00 0.00 175.29 175.53 2ppf s LYS 16 N 1.59 4.67 -0.03 1.67 1.02 -1.26 -0.32 119.74 127.07 2ppf s LYS 16 Ca 0.01 1.29 0.04 0.00 0.02 0.00 0.00 55.97 57.33 2ppf s LYS 16 Cb -0.13 -3.30 -0.01 0.00 -0.52 0.00 0.00 37.83 33.88 2ppf s LYS 16 CO -0.05 0.46 -0.16 0.08 -0.92 0.00 0.00 175.35 174.76 2ppf s VAL 17 N -0.84 1.35 -0.10 3.17 1.01 -0.37 -4.91 120.40 119.71 2ppf s VAL 17 Ca 0.39 -0.69 -0.20 0.00 0.00 0.00 0.00 61.98 61.48 2ppf s VAL 17 Cb -0.24 -1.16 -0.04 0.00 0.00 0.00 0.00 36.38 34.95 2ppf s VAL 17 CO 0.28 0.39 0.58 -1.61 0.00 0.00 0.00 175.10 174.74 2ppf s GLU 18 N -0.06 4.37 0.51 2.72 2.02 -1.26 -4.66 118.70 122.34 2ppf s GLU 18 Ca -0.01 0.63 -0.12 0.00 0.02 0.00 0.00 54.97 55.49 2ppf s GLU 18 Cb -0.10 -3.45 -0.06 0.00 0.10 0.00 0.00 34.13 30.62 2ppf s GLU 18 CO 0.01 0.10 0.91 -0.51 0.02 0.00 0.00 175.26 175.79 2ppf s LEU 19 N 0.77 3.57 0.25 1.80 1.43 -1.26 -4.79 118.68 120.46 2ppf s LEU 19 Ca 0.31 1.31 0.08 0.00 -1.03 0.00 0.00 54.13 54.80 2ppf s LEU 19 Cb -0.16 -4.27 -0.05 0.00 0.03 0.00 0.00 46.19 41.74 2ppf s LEU 19 CO 0.13 -0.61 -0.11 0.68 0.23 0.00 0.00 176.35 176.67 2ppf s VAL 20 N -2.72 1.80 0.28 -1.59 -7.23 -1.26 -4.99 120.40 104.69 2ppf s VAL 20 Ca 0.54 -2.20 -0.29 0.00 -1.81 0.00 0.00 61.98 58.22 2ppf s VAL 20 Cb -0.10 -2.27 -0.09 0.00 0.56 0.00 0.00 36.38 34.47 2ppf s VAL 20 CO 0.39 -0.43 1.01 -1.81 -0.31 0.00 0.00 175.10 173.96 2ppf s ASP 21 N -3.41 7.40 0.69 4.85 1.01 -1.26 -4.61 116.67 121.35 2ppf s ASP 21 Ca 0.27 2.06 -0.17 0.00 0.71 0.00 0.00 52.55 55.43 2ppf s ASP 21 Cb 0.01 -2.61 0.00 0.00 1.01 0.00 0.00 42.92 41.33 2ppf s ASP 21 CO 0.10 -0.03 1.12 -2.65 0.21 0.00 0.00 175.17 173.92 2ppf n PRO 22 N 1.14 0.72 -0.07 8.23 -0.02 -1.26 -1.96 135.00 141.79 2ppf n PRO 22 Ca -0.01 0.31 0.06 0.00 -2.02 0.00 0.00 63.50 61.84 2ppf n PRO 22 Cb 0.47 -2.36 0.24 0.00 -0.02 0.00 0.00 33.50 31.83 2ppf n PRO 22 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2ppf n PRO 23 N -1.98 1.40 -1.77 0.52 -0.04 -1.26 -5.03 135.00 126.83 2ppf n PRO 23 Ca 0.14 -0.62 -0.30 0.00 -0.04 0.00 0.00 63.50 62.68 2ppf n PRO 23 Cb 0.49 -1.22 0.05 0.00 -0.04 0.00 0.00 33.50 32.77 2ppf n PRO 23 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2ppf s PHE 24 N -1.81 3.28 -0.02 0.54 0.40 -0.83 -0.75 117.98 118.78 2ppf s PHE 24 Ca 0.20 1.18 0.02 0.00 -0.60 0.00 0.00 56.93 57.73 2ppf s PHE 24 Cb 0.10 -2.96 0.00 0.00 0.51 0.00 0.00 43.02 40.67 2ppf s PHE 24 CO 0.15 -1.18 -0.09 0.08 0.70 0.00 0.00 175.22 174.88 2ppf s VAL 25 N -3.23 0.75 0.75 -0.44 1.01 -1.26 -4.64 120.40 113.35 2ppf s VAL 25 Ca 0.58 -0.35 -0.15 0.00 0.00 0.00 0.00 61.98 62.06 2ppf s VAL 25 Cb -0.12 -0.67 0.03 0.00 0.00 0.00 0.00 36.38 35.62 2ppf s VAL 25 CO 0.53 0.24 1.02 0.00 0.00 0.00 0.00 175.10 176.89 2ppf n HIS 26 N 3.25 0.79 -1.76 5.22 1.44 -1.26 -4.90 115.22 117.99 2ppf n HIS 26 Ca -0.18 0.39 -0.41 0.00 -2.01 0.00 0.00 57.72 55.51 2ppf n HIS 26 Cb 0.55 -2.08 -0.01 0.00 0.12 0.00 0.00 29.99 28.57 2ppf n HIS 26 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2ppf n ALA 27 N -2.76 2.46 -3.61 1.59 0.00 -1.26 -4.99 120.51 111.94 2ppf n ALA 27 Ca 0.13 0.36 -0.08 0.00 0.00 0.00 0.00 53.44 53.85 2ppf n ALA 27 Cb 0.50 -2.44 -0.03 0.00 0.00 0.00 0.00 19.45 17.48 2ppf n ALA 27 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 2ppf s HIS 28 N -0.56 0.05 -0.05 0.00 -3.43 -1.26 -5.06 115.29 104.98 2ppf s HIS 28 Ca 0.59 -0.49 0.01 0.00 -0.80 0.00 0.00 55.06 54.37 2ppf s HIS 28 Cb -0.49 0.53 -0.03 0.00 -1.43 0.00 0.00 32.58 31.16 2ppf s HIS 28 CO 0.56 -1.19 -0.07 0.45 -2.00 0.00 0.00 174.74 172.50 2ppf s SER 29 N -2.97 4.63 -0.04 7.38 0.15 -1.26 -5.04 113.70 116.54 2ppf s SER 29 Ca 0.16 -0.05 -0.26 0.00 0.70 0.00 0.00 55.95 56.50 2ppf s SER 29 Cb -0.04 -1.14 -0.21 0.00 -1.71 0.00 0.00 66.02 62.92 2ppf s SER 29 CO 0.08 0.35 1.16 1.56 1.20 0.00 0.00 173.24 177.59 2ppf h GLN 30 N 5.11 -0.02 -6.43 5.44 4.20 -1.97 -3.41 115.11 118.03 2ppf h GLN 30 Ca -0.49 0.00 -0.53 0.00 0.06 0.00 0.00 58.65 57.69 2ppf h GLN 30 Cb 1.17 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.93 2ppf h GLN 30 CO 0.53 0.56 0.27 0.08 -0.67 0.00 0.00 178.83 179.59 2ppf s VAL 31 N -3.86 4.63 0.35 -0.54 1.01 -1.26 -3.36 120.40 117.38 2ppf s VAL 31 Ca -0.16 1.87 -0.28 0.00 0.00 0.00 0.00 61.98 63.40 2ppf s VAL 31 Cb 0.01 -4.23 -0.12 0.00 0.00 0.00 0.00 36.38 32.04 2ppf s VAL 31 CO 0.66 0.33 1.40 0.00 0.00 0.00 0.00 175.10 177.49 2ppf n ALA 32 N 2.88 1.84 -2.78 5.51 0.00 0.32 -4.95 120.51 123.33 2ppf n ALA 32 Ca 0.00 0.35 -0.44 0.00 0.00 0.00 0.00 53.44 53.36 2ppf n ALA 32 Cb 0.50 -2.34 -0.08 0.00 0.00 0.00 0.00 19.45 17.53 2ppf n ALA 32 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2ppf s GLU 33 N -1.89 3.02 1.22 0.00 2.02 -1.26 -4.97 118.70 116.84 2ppf s GLU 33 Ca 0.55 -1.18 0.00 0.00 0.02 0.00 0.00 54.97 54.36 2ppf s GLU 33 Cb -0.53 -4.10 0.00 0.00 0.10 0.00 0.00 34.13 29.61 2ppf s GLU 33 CO 0.62 -1.03 0.00 0.41 0.02 0.00 0.00 175.26 175.28 2ppf n GLY 34 N 5.19 -1.97 2.04 -1.39 0.00 -1.26 -4.96 105.19 102.84 2ppf n GLY 34 Ca -0.11 -1.41 -0.14 0.00 0.00 0.00 0.00 46.02 44.36 2ppf n GLY 34 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ppf n GLY 35 N 0.00 -0.62 3.63 -0.02 0.00 -1.26 -5.00 105.19 101.92 2ppf n GLY 35 Ca 0.00 -1.80 -0.40 0.00 0.00 0.00 0.00 46.02 43.82 2ppf n GLY 35 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2ppf n PRO 36 N -2.31 1.37 -4.19 1.61 -0.02 -1.26 -5.02 135.00 125.18 2ppf n PRO 36 Ca 0.09 0.49 -0.11 0.00 -2.02 0.00 0.00 63.50 61.95 2ppf n PRO 36 Cb 0.31 -2.14 -0.10 0.00 -0.02 0.00 0.00 33.50 31.55 2ppf n PRO 36 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2ppf s LYS 37 N -2.22 0.90 -0.41 -0.52 1.02 -1.26 -4.41 119.74 112.85 2ppf s LYS 37 Ca 0.66 -1.38 -0.17 0.00 0.02 0.00 0.00 55.97 55.10 2ppf s LYS 37 Cb -0.51 -0.28 0.02 0.00 -0.52 0.00 0.00 37.83 36.53 2ppf s LYS 37 CO 0.55 -0.02 0.41 0.08 -0.92 0.00 0.00 175.35 175.45 2ppf s VAL 38 N -3.58 5.12 -0.25 3.17 1.01 0.01 -0.88 120.40 125.01 2ppf s VAL 38 Ca 0.14 -0.32 -0.13 0.00 0.00 0.00 0.00 61.98 61.67 2ppf s VAL 38 Cb 0.05 -3.99 -0.04 0.00 0.00 0.00 0.00 36.38 32.40 2ppf s VAL 38 CO -0.03 -0.35 0.30 -0.69 0.00 0.00 0.00 175.10 174.33 2ppf s VAL 39 N 2.06 5.24 -0.21 2.92 1.01 0.50 -1.21 120.40 130.72 2ppf s VAL 39 Ca 0.11 0.45 -0.09 0.00 0.00 0.00 0.00 61.98 62.45 2ppf s VAL 39 Cb -0.17 -3.63 -0.04 0.00 0.00 0.00 0.00 36.38 32.53 2ppf s VAL 39 CO 0.13 0.24 0.10 -1.61 0.00 0.00 0.00 175.10 173.96 2ppf s GLU 40 N 1.60 4.02 0.15 2.72 2.02 0.56 -0.66 118.70 129.11 2ppf s GLU 40 Ca 0.13 -0.31 0.08 0.00 0.02 0.00 0.00 54.97 54.89 2ppf s GLU 40 Cb -0.15 -3.36 -0.04 0.00 0.10 0.00 0.00 34.13 30.68 2ppf s GLU 40 CO 0.08 0.17 -0.18 -0.06 0.02 0.00 0.00 175.26 175.29 2ppf s PHE 41 N 0.68 1.80 -0.03 1.61 0.40 -0.67 -1.24 117.98 120.53 2ppf s PHE 41 Ca 0.06 -0.46 0.03 0.00 -0.60 0.00 0.00 56.93 55.95 2ppf s PHE 41 Cb -0.13 -0.91 -0.00 0.00 0.51 0.00 0.00 43.02 42.49 2ppf s PHE 41 CO 0.01 0.31 -0.12 0.99 0.70 0.00 0.00 175.22 177.11 2ppf s THR 42 N -1.93 1.04 -0.01 0.64 2.01 -1.26 -0.80 115.64 115.34 2ppf s THR 42 Ca 0.14 -0.51 0.02 0.00 0.31 0.00 0.00 61.69 61.65 2ppf s THR 42 Cb -0.06 -0.91 0.00 0.00 0.01 0.00 0.00 72.50 71.54 2ppf s THR 42 CO 0.06 0.31 -0.06 -0.04 -0.69 0.00 0.00 174.62 174.20 2ppf s MET 43 N 0.10 0.60 -0.15 4.92 -1.94 -0.29 -4.92 119.30 117.62 2ppf s MET 43 Ca -0.03 -0.21 -0.07 0.00 -1.71 0.00 0.00 55.69 53.68 2ppf s MET 43 Cb -0.09 -0.59 -0.04 0.00 2.01 0.00 0.00 34.83 36.12 2ppf s MET 43 CO 0.01 0.10 0.07 0.08 -0.01 0.00 0.00 175.02 175.27 2ppf s VAL 44 N 0.06 4.87 -0.06 -6.03 1.01 -1.26 -1.41 120.40 117.58 2ppf s VAL 44 Ca -0.00 -0.02 -0.24 0.00 0.00 0.00 0.00 61.98 61.72 2ppf s VAL 44 Cb -0.05 -3.16 -0.04 0.00 0.00 0.00 0.00 36.38 33.14 2ppf s VAL 44 CO -0.00 0.51 0.73 -0.63 0.00 0.00 0.00 175.10 175.71 2ppf s ILE 45 N -0.11 5.02 -0.14 2.22 1.01 -0.32 -0.18 121.20 128.71 2ppf s ILE 45 Ca 0.07 1.51 0.01 0.00 0.00 0.00 0.00 60.65 62.25 2ppf s ILE 45 Cb -0.12 -4.07 0.00 0.00 0.01 0.00 0.00 42.46 38.28 2ppf s ILE 45 CO 0.01 0.25 -0.18 -1.61 0.00 0.00 0.00 174.94 173.40 2ppf s GLU 46 N 0.79 3.14 -0.29 2.79 2.02 -0.38 -4.41 118.70 122.37 2ppf s GLU 46 Ca 0.39 -0.80 -0.12 0.00 0.02 0.00 0.00 54.97 54.46 2ppf s GLU 46 Cb -0.18 -2.52 -0.04 0.00 0.10 0.00 0.00 34.13 31.49 2ppf s GLU 46 CO 0.19 0.04 0.25 -1.21 0.02 0.00 0.00 175.26 174.56 2ppf s GLU 47 N 0.72 3.91 0.00 1.61 2.02 -1.26 -0.86 118.70 124.84 2ppf s GLU 47 Ca -0.08 -0.26 -0.24 0.00 0.02 0.00 0.00 54.97 54.41 2ppf s GLU 47 Cb -0.16 -3.68 0.05 0.00 0.10 0.00 0.00 34.13 30.45 2ppf s GLU 47 CO 0.01 -0.24 0.53 -1.59 0.02 0.00 0.00 175.26 173.98 2ppf s LYS 48 N 1.85 0.97 0.11 1.61 -2.85 -0.82 -5.00 119.74 115.61 2ppf s LYS 48 Ca 0.09 -0.07 -0.30 0.00 -1.00 0.00 0.00 55.97 54.69 2ppf s LYS 48 Cb -0.16 0.45 -0.06 0.00 -2.06 0.00 0.00 37.83 35.99 2ppf s LYS 48 CO 0.11 -0.32 1.19 0.15 0.10 0.00 0.00 175.35 176.57 2ppf s LYS 49 N -1.83 4.47 0.15 1.78 1.02 -1.26 -0.73 119.74 123.34 2ppf s LYS 49 Ca -0.09 1.79 0.09 0.00 0.02 0.00 0.00 55.97 57.79 2ppf s LYS 49 Cb -0.01 -3.31 -0.04 0.00 -0.52 0.00 0.00 37.83 33.95 2ppf s LYS 49 CO 0.03 -0.17 -0.21 0.96 -0.92 0.00 0.00 175.35 175.04 2ppf s ILE 50 N 0.61 1.97 -0.19 2.17 -4.36 -0.19 -4.92 121.20 116.29 2ppf s ILE 50 Ca 0.56 -1.84 -0.09 0.00 -0.26 0.00 0.00 60.65 59.02 2ppf s ILE 50 Cb -0.30 -1.86 -0.05 0.00 1.25 0.00 0.00 42.46 41.50 2ppf s ILE 50 CO 0.32 -0.16 0.12 -0.69 0.24 0.00 0.00 174.94 174.76 2ppf s VAL 51 N -1.64 5.32 -0.57 8.37 1.01 -1.26 -1.01 120.40 130.62 2ppf s VAL 51 Ca 0.14 0.16 0.07 0.00 0.00 0.00 0.00 61.98 62.35 2ppf s VAL 51 Cb -0.08 -3.42 -0.03 0.00 0.00 0.00 0.00 36.38 32.86 2ppf s VAL 51 CO 0.07 0.45 0.46 2.30 0.00 0.00 0.00 175.10 178.38 2ppf n ILE 52 N 3.44 0.00 -4.03 2.22 -5.35 -0.25 -4.86 119.36 110.53 2ppf n ILE 52 Ca -0.16 -0.39 -0.14 0.00 -0.27 0.00 0.00 62.75 61.78 2ppf n ILE 52 Cb 0.52 1.06 -0.03 0.00 -1.74 0.00 0.00 39.64 39.46 2ppf n ILE 52 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 2ppf n ASP 53 N -0.59 -1.41 0.00 7.28 3.85 -1.26 -0.64 116.55 123.79 2ppf n ASP 53 Ca 0.03 -2.83 0.12 0.00 -0.71 0.00 0.00 54.79 51.39 2ppf n ASP 53 Cb 0.14 2.59 0.72 0.00 -1.35 0.00 0.00 41.12 43.23 2ppf n ASP 53 CO 0.00 0.00 0.00 -0.90 -1.01 0.00 0.00 177.20 175.29 2ppf n ASP 54 N -1.62 0.00 -0.91 -1.12 5.68 -1.26 -3.24 116.55 114.08 2ppf n ASP 54 Ca -0.00 -0.85 0.09 0.00 -0.50 0.00 0.00 54.79 53.53 2ppf n ASP 54 Cb 0.58 0.00 0.19 0.00 -1.14 0.00 0.00 41.12 40.74 2ppf n ASP 54 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2ppf n ALA 55 N -0.97 2.34 -1.10 2.12 0.00 -1.26 -4.97 120.51 116.66 2ppf n ALA 55 Ca 0.18 -1.04 -0.04 0.00 0.00 0.00 0.00 53.44 52.55 2ppf n ALA 55 Cb 0.08 -0.65 -0.02 0.00 0.00 0.00 0.00 19.45 18.87 2ppf n ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ppf n GLY 56 N 1.05 0.66 3.72 0.00 0.00 -1.20 -5.00 105.19 104.43 2ppf n GLY 56 Ca 0.16 -0.71 -0.42 0.00 0.00 0.00 0.00 46.02 45.04 2ppf n GLY 56 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ppf s THR 57 N -2.10 2.74 -0.00 2.61 2.01 -1.26 -4.88 115.64 114.76 2ppf s THR 57 Ca 0.00 0.54 -0.00 0.00 0.31 0.00 0.00 61.69 62.54 2ppf s THR 57 Cb 0.00 -3.35 -0.04 0.00 0.01 0.00 0.00 72.50 69.13 2ppf s THR 57 CO 0.00 0.05 0.07 -1.61 -0.69 0.00 0.00 174.62 172.44 2ppf s GLU 58 N 0.91 3.03 -0.03 4.92 2.02 -1.26 -1.09 118.70 127.20 2ppf s GLU 58 Ca 0.68 -0.51 0.05 0.00 0.02 0.00 0.00 54.97 55.21 2ppf s GLU 58 Cb -0.42 -2.83 -0.01 0.00 0.10 0.00 0.00 34.13 30.97 2ppf s GLU 58 CO 0.33 0.64 -0.18 0.08 0.02 0.00 0.00 175.26 176.15 2ppf s VAL 59 N -1.19 1.43 -0.96 2.63 1.01 -0.18 -4.97 120.40 118.17 2ppf s VAL 59 Ca 0.23 -0.74 -0.24 0.00 0.00 0.00 0.00 61.98 61.23 2ppf s VAL 59 Cb -0.12 -1.21 0.03 0.00 0.00 0.00 0.00 36.38 35.08 2ppf s VAL 59 CO 0.14 0.41 1.52 -1.00 0.00 0.00 0.00 175.10 176.17 2ppf s HIS 60 N -0.14 2.37 0.51 5.22 3.76 -1.26 -1.02 115.29 124.72 2ppf s HIS 60 Ca 0.00 -0.48 -0.20 0.00 -0.15 0.00 0.00 55.06 54.23 2ppf s HIS 60 Cb -0.10 -4.57 -0.07 0.00 1.11 0.00 0.00 32.58 28.95 2ppf s HIS 60 CO 0.01 -1.93 1.09 0.00 -0.85 0.00 0.00 174.74 173.06 2ppf s ALA 61 N 5.98 2.81 -0.28 -1.40 0.00 0.09 -4.88 121.76 124.07 2ppf s ALA 61 Ca 0.49 0.75 0.01 0.00 0.00 0.00 0.00 51.96 53.21 2ppf s ALA 61 Cb -0.02 -3.32 0.08 0.00 0.00 0.00 0.00 23.12 19.86 2ppf s ALA 61 CO -0.05 -0.56 0.00 -1.64 0.00 0.00 0.00 175.76 173.51 2ppf s MET 62 N -3.18 1.43 -0.19 0.00 -1.94 -0.69 -1.93 119.30 112.79 2ppf s MET 62 Ca 0.69 -1.26 0.01 0.00 -1.71 0.00 0.00 55.69 53.42 2ppf s MET 62 Cb -0.21 -2.64 0.04 0.00 2.01 0.00 0.00 34.83 34.03 2ppf s MET 62 CO 0.25 -0.77 -0.09 0.00 -0.01 0.00 0.00 175.02 174.40 2ppf s ALA 63 N 1.30 1.89 0.12 3.03 0.00 -0.04 -2.24 121.76 125.83 2ppf s ALA 63 Ca 0.02 -1.14 -0.31 0.00 0.00 0.00 0.00 51.96 50.53 2ppf s ALA 63 Cb -0.19 -1.26 -0.10 0.00 0.00 0.00 0.00 23.12 21.57 2ppf s ALA 63 CO -0.11 -0.84 1.78 -0.06 0.00 0.00 0.00 175.76 176.54 2ppf s PHE 64 N 1.44 2.30 -1.14 0.00 0.08 -1.25 -1.25 117.98 118.16 2ppf s PHE 64 Ca -0.01 0.09 0.00 0.00 0.12 0.00 0.00 56.93 57.13 2ppf s PHE 64 Cb -0.16 -4.13 0.00 0.00 -0.57 0.00 0.00 43.02 38.16 2ppf s PHE 64 CO -0.08 -4.60 0.00 -1.71 -0.10 0.00 0.00 175.22 168.73 2ppf n ASN 65 N 5.43 -5.41 0.00 1.36 5.15 0.75 -2.43 115.26 120.11 2ppf n ASN 65 Ca 0.17 0.27 0.00 0.00 -0.60 0.00 0.00 54.58 54.42 2ppf n ASN 65 Cb 0.38 -3.85 0.00 0.00 -0.53 0.00 0.00 39.78 35.78 2ppf n ASN 65 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2ppf n GLY 66 N -0.18 0.75 3.36 8.20 0.00 -0.94 -4.93 105.19 111.45 2ppf n GLY 66 Ca -0.11 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.67 2ppf n GLY 66 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2ppf s THR 67 N -2.88 2.04 -0.23 2.61 -4.23 -1.02 -4.97 115.64 106.96 2ppf s THR 67 Ca 0.00 -1.90 0.02 0.00 -1.18 0.00 0.00 61.69 58.63 2ppf s THR 67 Cb 0.00 -1.92 0.05 0.00 1.34 0.00 0.00 72.50 71.96 2ppf s THR 67 CO 0.00 -0.18 -0.14 -0.69 -0.54 0.00 0.00 174.62 173.07 2ppf s VAL 68 N -1.72 2.13 0.90 2.29 1.01 -1.26 -2.98 120.40 120.76 2ppf s VAL 68 Ca 0.16 -1.40 -0.12 0.00 0.00 0.00 0.00 61.98 60.62 2ppf s VAL 68 Cb -0.07 -2.14 0.13 0.00 0.00 0.00 0.00 36.38 34.30 2ppf s VAL 68 CO 0.07 0.17 1.13 -2.16 0.00 0.00 0.00 175.10 174.31 2ppf s PRO 69 N 1.17 1.27 0.93 2.72 0.04 -1.26 -2.39 135.00 137.47 2ppf s PRO 69 Ca -0.04 0.35 -0.10 0.00 0.04 0.00 0.00 61.00 61.24 2ppf s PRO 69 Cb -0.18 -1.85 0.15 0.00 0.04 0.00 0.00 34.50 32.67 2ppf s PRO 69 CO -0.08 -2.12 1.13 0.20 0.04 0.00 0.00 177.00 176.17 2ppf s GLY 70 N -4.00 1.67 0.69 0.56 0.00 0.57 -4.72 107.32 102.10 2ppf s GLY 70 Ca 0.63 0.49 -0.14 0.00 0.00 0.00 0.00 44.72 45.71 2ppf s GLY 70 CO 0.53 0.94 1.11 2.56 0.00 0.00 0.00 173.10 178.24 2ppf s PRO 71 N -4.65 2.62 -0.10 2.90 0.04 -1.26 -4.43 135.00 130.11 2ppf s PRO 71 Ca 0.66 1.36 -0.30 0.00 0.04 0.00 0.00 61.00 62.77 2ppf s PRO 71 Cb -0.23 -1.93 -0.01 0.00 0.04 0.00 0.00 34.50 32.37 2ppf s PRO 71 CO 0.58 -1.38 1.02 -1.17 0.04 0.00 0.00 177.00 176.09 2ppf s LEU 72 N -5.13 4.25 -0.16 -3.56 2.96 -1.26 -4.33 118.68 111.46 2ppf s LEU 72 Ca 0.66 1.54 -0.08 0.00 -0.22 0.00 0.00 54.13 56.04 2ppf s LEU 72 Cb -0.20 -3.56 -0.04 0.00 0.50 0.00 0.00 46.19 42.89 2ppf s LEU 72 CO 0.45 -0.45 0.11 -0.04 -1.32 0.00 0.00 176.35 175.10 2ppf s MET 73 N 2.02 3.76 -0.13 1.98 -1.94 -1.17 -4.59 119.30 119.24 2ppf s MET 73 Ca 0.49 -0.22 0.03 0.00 -1.71 0.00 0.00 55.69 54.28 2ppf s MET 73 Cb -0.19 -3.25 0.01 0.00 2.01 0.00 0.00 34.83 33.42 2ppf s MET 73 CO 0.18 0.52 -0.23 0.08 -0.01 0.00 0.00 175.02 175.57 2ppf s VAL 74 N -0.30 2.05 0.38 -6.03 1.01 -1.26 -0.62 120.40 115.62 2ppf s VAL 74 Ca 0.10 -0.99 0.06 0.00 0.00 0.00 0.00 61.98 61.16 2ppf s VAL 74 Cb -0.12 -1.80 -0.02 0.00 0.00 0.00 0.00 36.38 34.44 2ppf s VAL 74 CO 0.01 0.55 0.23 1.33 0.00 0.00 0.00 175.10 177.22 2ppf n VAL 75 N 3.89 0.00 -4.26 2.92 0.24 -0.36 -4.99 118.33 115.75 2ppf n VAL 75 Ca -0.20 -2.48 -0.24 0.00 -2.04 0.00 0.00 64.34 59.38 2ppf n VAL 75 Cb 0.52 1.08 -0.07 0.00 -1.47 0.00 0.00 33.84 33.90 2ppf n VAL 75 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 2ppf s HIS 76 N -3.28 2.74 0.20 6.34 3.76 -1.26 -0.86 115.29 122.93 2ppf s HIS 76 Ca 0.32 -0.20 -0.32 0.00 -0.15 0.00 0.00 55.06 54.71 2ppf s HIS 76 Cb 0.02 -1.26 -0.15 0.00 1.11 0.00 0.00 32.58 32.30 2ppf s HIS 76 CO 0.23 0.58 1.28 0.94 -0.85 0.00 0.00 174.74 176.91 2ppf n GLN 77 N -0.59 1.55 -0.87 1.40 7.27 0.33 -1.26 117.38 125.21 2ppf n GLN 77 Ca -0.08 0.55 0.00 0.00 0.07 0.00 0.00 57.00 57.54 2ppf n GLN 77 Cb 0.57 -2.12 0.00 0.00 2.41 0.00 0.00 30.24 31.10 2ppf n GLN 77 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 2ppf n ASP 78 N 2.12 -1.43 -4.65 1.69 10.43 0.49 -4.74 116.55 120.46 2ppf n ASP 78 Ca 0.14 0.00 -0.29 0.00 2.57 0.00 0.00 54.79 57.21 2ppf n ASP 78 Cb 0.27 -1.26 0.19 0.00 1.84 0.00 0.00 41.12 42.16 2ppf n ASP 78 CO 0.00 0.00 0.00 -1.81 -1.07 0.00 0.00 177.20 174.32 2ppf s ASP 79 N -2.39 2.41 -0.03 -2.24 -0.00 -0.39 -4.65 116.67 109.38 2ppf s ASP 79 Ca 0.00 1.31 0.01 0.00 -0.00 0.00 0.00 52.55 53.88 2ppf s ASP 79 Cb 0.00 -2.00 -0.03 0.00 -0.00 0.00 0.00 42.92 40.89 2ppf s ASP 79 CO 0.00 -3.28 -0.03 -0.31 -0.00 0.00 0.00 175.17 171.54 2ppf s TYR 80 N -2.86 3.00 -0.23 4.23 1.51 -0.06 -0.83 117.35 122.12 2ppf s TYR 80 Ca 0.66 0.05 -0.07 0.00 -1.01 0.00 0.00 57.07 56.70 2ppf s TYR 80 Cb -0.20 -1.68 -0.03 0.00 -0.11 0.00 0.00 41.96 39.95 2ppf s TYR 80 CO 0.59 0.41 0.04 -1.17 -1.11 0.00 0.00 175.55 174.31 2ppf s LEU 81 N -1.25 3.40 -0.31 -1.29 0.20 -0.09 -0.37 118.68 118.97 2ppf s LEU 81 Ca 0.16 -0.18 0.03 0.00 0.69 0.00 0.00 54.13 54.83 2ppf s LEU 81 Cb -0.11 -1.89 0.08 0.00 -0.43 0.00 0.00 46.19 43.84 2ppf s LEU 81 CO 0.06 0.02 -0.00 -0.70 -0.29 0.00 0.00 176.35 175.44 2ppf s GLU 82 N 1.30 1.89 -0.19 1.98 2.12 0.17 -1.57 118.70 124.40 2ppf s GLU 82 Ca 0.04 -1.63 -0.07 0.00 0.36 0.00 0.00 54.97 53.67 2ppf s GLU 82 Cb -0.15 -3.12 -0.04 0.00 0.26 0.00 0.00 34.13 31.08 2ppf s GLU 82 CO 0.03 -0.79 0.07 -1.17 -0.54 0.00 0.00 175.26 172.85 2ppf s LEU 83 N 1.02 3.80 -0.27 2.70 2.96 0.16 -1.67 118.68 127.38 2ppf s LEU 83 Ca 0.02 0.06 -0.17 0.00 -0.22 0.00 0.00 54.13 53.83 2ppf s LEU 83 Cb -0.20 -1.97 -0.03 0.00 0.50 0.00 0.00 46.19 44.50 2ppf s LEU 83 CO -0.06 0.16 0.46 -0.89 -1.32 0.00 0.00 176.35 174.69 2ppf s THR 84 N 0.47 5.11 -0.12 3.68 2.01 0.02 -1.33 115.64 125.48 2ppf s THR 84 Ca 0.03 0.70 0.01 0.00 0.31 0.00 0.00 61.69 62.74 2ppf s THR 84 Cb -0.13 -3.79 -0.01 0.00 0.01 0.00 0.00 72.50 68.59 2ppf s THR 84 CO 0.01 0.08 -0.16 -0.22 -0.69 0.00 0.00 174.62 173.64 2ppf s LEU 85 N 2.22 2.53 -0.10 4.42 2.96 -0.15 -1.13 118.68 129.43 2ppf s LEU 85 Ca 0.18 -0.40 0.03 0.00 -0.22 0.00 0.00 54.13 53.73 2ppf s LEU 85 Cb -0.16 -1.55 0.00 0.00 0.50 0.00 0.00 46.19 44.98 2ppf s LEU 85 CO 0.10 0.16 -0.21 -0.63 -1.32 0.00 0.00 176.35 174.44 2ppf s ILE 86 N 0.38 1.88 -0.47 6.68 1.01 -0.50 -1.44 121.20 128.74 2ppf s ILE 86 Ca -0.13 -0.91 -0.03 0.00 0.00 0.00 0.00 60.65 59.59 2ppf s ILE 86 Cb -0.16 -1.64 0.12 0.00 0.01 0.00 0.00 42.46 40.79 2ppf s ILE 86 CO 0.06 0.52 0.28 0.21 0.00 0.00 0.00 174.94 176.01 2ppf s ASN 87 N 0.49 5.26 0.72 3.58 2.47 0.10 -1.17 114.94 126.39 2ppf s ASN 87 Ca -0.16 -2.27 -0.16 0.00 0.42 0.00 0.00 52.86 50.69 2ppf s ASN 87 Cb -0.17 -1.84 0.03 0.00 -1.45 0.00 0.00 41.25 37.82 2ppf s ASN 87 CO 0.06 -0.50 1.21 -2.65 -3.72 0.00 0.00 177.10 171.50 2ppf n PRO 88 N 4.28 0.66 0.01 0.43 -0.02 -1.26 0.64 135.00 139.74 2ppf n PRO 88 Ca 0.00 0.29 0.08 0.00 -2.02 0.00 0.00 63.50 61.85 2ppf n PRO 88 Cb 0.40 -2.45 0.33 0.00 -0.02 0.00 0.00 33.50 31.77 2ppf n PRO 88 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 2ppf n GLU 89 N -2.44 0.02 0.15 -0.52 0.28 -1.26 -1.96 120.64 114.91 2ppf n GLU 89 Ca 0.15 0.26 0.13 0.00 -0.16 0.00 0.00 57.16 57.53 2ppf n GLU 89 Cb 0.49 -1.53 0.40 0.00 1.43 0.00 0.00 31.44 32.23 2ppf n GLU 89 CO 0.00 0.00 0.00 1.79 -0.16 0.00 0.00 177.13 178.76 2ppf h THR 90 N 0.00 0.00 -4.31 3.84 1.35 -1.95 -3.44 112.91 108.40 2ppf h THR 90 Ca 0.00 -0.54 -0.50 0.00 -0.55 0.00 0.00 66.41 64.82 2ppf h THR 90 Cb 0.27 1.49 0.10 0.00 -1.73 0.00 0.00 68.15 68.28 2ppf h THR 90 CO 0.00 0.00 0.35 0.20 -0.25 0.00 0.00 175.52 175.82 2ppf s ASN 91 N -4.93 4.83 -0.12 5.36 0.01 -0.83 -5.02 114.94 114.25 2ppf s ASN 91 Ca 0.08 1.41 0.12 0.00 -0.71 0.00 0.00 52.86 53.76 2ppf s ASN 91 Cb 0.10 -2.20 -0.17 0.00 0.41 0.00 0.00 41.25 39.39 2ppf s ASN 91 CO 0.57 -1.77 0.07 0.35 -1.51 0.00 0.00 177.10 174.81 2ppf n THR 92 N -3.31 0.84 -4.13 1.60 -2.24 -1.26 -4.73 114.28 101.03 2ppf n THR 92 Ca 0.07 -0.55 -0.27 0.00 -2.27 0.00 0.00 64.05 61.03 2ppf n THR 92 Cb 0.55 -0.57 -0.07 0.00 -2.10 0.00 0.00 70.33 68.15 2ppf n THR 92 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2ppf s LEU 93 N -4.90 3.56 0.34 3.22 1.43 -1.26 -4.85 118.68 116.23 2ppf s LEU 93 Ca -0.06 -0.23 -0.27 0.00 -1.03 0.00 0.00 54.13 52.54 2ppf s LEU 93 Cb 0.04 -2.21 -0.09 0.00 0.03 0.00 0.00 46.19 43.96 2ppf s LEU 93 CO 0.55 0.10 1.06 -0.32 0.23 0.00 0.00 176.35 177.98 2ppf s MET 94 N -2.85 4.40 0.18 1.70 -2.45 -1.26 -4.09 119.30 114.92 2ppf s MET 94 Ca 0.29 1.62 0.00 0.00 -1.25 0.00 0.00 55.69 56.35 2ppf s MET 94 Cb -0.10 -2.85 -0.04 0.00 1.25 0.00 0.00 34.83 33.09 2ppf s MET 94 CO 0.21 0.04 0.07 -1.01 1.05 0.00 0.00 175.02 175.38 2ppf s HIS 95 N -1.43 1.13 0.00 4.11 0.09 -0.79 -4.91 115.29 113.49 2ppf s HIS 95 Ca 0.51 -1.21 0.00 0.00 -0.00 0.00 0.00 55.06 54.37 2ppf s HIS 95 Cb -0.26 -0.62 0.00 0.00 -0.00 0.00 0.00 32.58 31.70 2ppf s HIS 95 CO 0.33 -0.44 0.00 0.27 -0.00 0.00 0.00 174.74 174.90 2ppf n ASN 96 N -0.23 0.00 -3.81 1.40 0.23 -1.26 -0.81 115.26 110.77 2ppf n ASN 96 Ca -0.03 -0.89 -0.12 0.00 -0.53 0.00 0.00 54.58 53.01 2ppf n ASN 96 Cb 0.65 0.00 -0.13 0.00 -2.08 0.00 0.00 39.78 38.22 2ppf n ASN 96 CO 0.00 0.00 0.00 -0.51 -0.93 0.00 0.00 177.26 175.82 2ppf s ILE 97 N -2.66 -0.00 -0.15 1.53 2.07 -1.26 -4.17 121.20 116.56 2ppf s ILE 97 Ca 0.00 0.01 -0.00 0.00 -1.41 0.00 0.00 60.65 59.25 2ppf s ILE 97 Cb 0.00 -0.22 0.03 0.00 0.13 0.00 0.00 42.46 42.40 2ppf s ILE 97 CO 0.00 0.00 -0.08 0.20 -1.91 0.00 0.00 174.94 173.15 2ppf s ASN 98 N 0.15 2.67 -0.29 4.50 -0.87 0.03 -1.43 114.94 119.70 2ppf s ASN 98 Ca -0.01 -0.55 -0.13 0.00 -1.57 0.00 0.00 52.86 50.60 2ppf s ASN 98 Cb -0.02 -0.97 -0.04 0.00 -0.02 0.00 0.00 41.25 40.20 2ppf s ASN 98 CO -0.00 -0.14 0.30 -0.36 -2.57 0.00 0.00 177.10 174.33 2ppf s PHE 99 N 1.60 3.23 0.19 2.20 0.40 0.32 -1.02 117.98 124.90 2ppf s PHE 99 Ca 0.03 0.17 0.34 0.00 -0.60 0.00 0.00 56.93 56.87 2ppf s PHE 99 Cb -0.14 -2.52 1.72 0.00 0.51 0.00 0.00 43.02 42.59 2ppf s PHE 99 CO -0.08 -0.26 2.03 0.45 0.70 0.00 0.00 175.22 178.06 2ppf h HIS 100 N 8.33 0.00 0.00 0.36 3.86 -1.47 -1.64 115.15 124.58 2ppf h HIS 100 Ca -0.32 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.89 2ppf h HIS 100 Cb 1.17 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.64 2ppf h HIS 100 CO 0.74 0.00 0.00 0.00 0.86 0.00 0.00 177.93 179.53 2ppf h ALA 101 N 2.03 1.00 -2.14 2.45 0.00 -1.90 -3.47 119.26 117.23 2ppf h ALA 101 Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 54.91 54.45 2ppf h ALA 101 Cb 0.15 0.00 0.01 0.00 0.00 0.00 0.00 17.79 17.95 2ppf h ALA 101 CO 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 179.25 179.02 2ppf s ALA 102 N -3.43 3.81 -0.16 0.00 0.00 -0.62 -4.57 121.76 116.79 2ppf s ALA 102 Ca 0.04 -1.06 0.01 0.00 0.00 0.00 0.00 51.96 50.95 2ppf s ALA 102 Cb 0.07 -2.00 0.02 0.00 0.00 0.00 0.00 23.12 21.21 2ppf s ALA 102 CO 0.60 -0.05 -0.16 0.99 0.00 0.00 0.00 175.76 177.14 2ppf s THR 103 N -2.29 1.73 0.00 0.00 2.01 -1.26 -4.67 115.64 111.17 2ppf s THR 103 Ca 0.41 -0.74 0.00 0.00 0.31 0.00 0.00 61.69 61.68 2ppf s THR 103 Cb -0.10 -1.60 0.00 0.00 0.01 0.00 0.00 72.50 70.81 2ppf s THR 103 CO 0.35 0.49 0.00 0.61 -0.69 0.00 0.00 174.62 175.37 2ppf n GLY 104 N 4.69 2.82 4.12 4.40 0.00 -1.26 -4.93 105.19 115.03 2ppf n GLY 104 Ca -0.18 -1.90 -0.30 0.00 0.00 0.00 0.00 46.02 43.64 2ppf n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ppf n ALA 105 N 0.32 -1.78 -1.99 4.61 0.00 -1.26 -0.18 120.51 120.23 2ppf n ALA 105 Ca 0.00 -0.23 -0.20 0.00 0.00 0.00 0.00 53.44 53.01 2ppf n ALA 105 Cb 0.00 -1.91 -0.05 0.00 0.00 0.00 0.00 19.45 17.49 2ppf n ALA 105 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2ppf n LEU 106 N -4.42 -1.69 0.00 0.00 4.77 -1.26 -1.01 117.00 113.39 2ppf n LEU 106 Ca -0.20 0.23 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 2ppf n LEU 106 Cb 0.63 -2.79 0.00 0.00 -2.33 0.00 0.00 43.42 38.93 2ppf n LEU 106 CO 0.81 -0.61 0.00 0.61 -1.33 0.00 0.00 177.39 176.87 2ppf n GLY 107 N -0.78 0.72 0.00 -0.72 0.00 0.74 -4.11 105.19 101.04 2ppf n GLY 107 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.80 2ppf n GLY 107 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ppf n GLY 108 N -2.05 1.82 0.34 -0.02 0.00 -0.18 -0.52 105.19 104.59 2ppf n GLY 108 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 2ppf n GLY 108 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2ppf h GLY 109 N 0.00 0.97 2.00 -0.02 0.00 -0.76 -1.87 103.07 103.40 2ppf h GLY 109 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 47.33 46.97 2ppf h GLY 109 CO 0.00 0.35 0.00 -1.33 0.00 0.00 0.00 176.54 175.56 2ppf h GLY 110 N 0.93 0.00 -0.75 4.60 0.00 -1.72 -3.03 103.07 103.10 2ppf h GLY 110 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.59 2ppf h GLY 110 CO -0.06 0.00 -0.09 1.04 0.00 0.00 0.00 176.54 177.43 2ppf n LEU 111 N -2.83 1.68 -0.26 3.11 4.77 -0.72 -4.69 117.00 118.06 2ppf n LEU 111 Ca -0.00 -0.90 0.06 0.00 -0.03 0.00 0.00 56.01 55.13 2ppf n LEU 111 Cb 0.19 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.36 2ppf n LEU 111 CO 0.22 0.32 0.43 0.35 -1.33 0.00 0.00 177.39 177.38 2ppf n THR 112 N 0.28 1.05 -2.18 -5.08 -2.24 -1.10 -4.94 114.28 100.07 2ppf n THR 112 Ca 0.06 -1.27 -0.42 0.00 -2.27 0.00 0.00 64.05 60.15 2ppf n THR 112 Cb 0.26 0.09 -0.03 0.00 -2.10 0.00 0.00 70.33 68.56 2ppf n THR 112 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2ppf s GLU 113 N -1.60 3.34 -0.16 -0.78 2.02 -1.24 -4.20 118.70 116.08 2ppf s GLU 113 Ca 0.18 1.05 0.02 0.00 0.02 0.00 0.00 54.97 56.23 2ppf s GLU 113 Cb 0.16 -4.15 0.01 0.00 0.10 0.00 0.00 34.13 30.25 2ppf s GLU 113 CO 0.02 -1.85 -0.21 0.96 0.02 0.00 0.00 175.26 174.20 2ppf s ILE 114 N 6.49 2.10 0.69 -1.63 -4.36 0.01 -4.97 121.20 119.53 2ppf s ILE 114 Ca 0.68 -0.95 -0.11 0.00 -0.26 0.00 0.00 60.65 60.02 2ppf s ILE 114 Cb -0.17 -1.86 0.01 0.00 1.25 0.00 0.00 42.46 41.69 2ppf s ILE 114 CO 0.31 0.54 1.06 0.20 0.24 0.00 0.00 174.94 177.30 2ppf s ASN 115 N 1.03 5.47 0.10 4.36 0.02 -1.26 -1.88 114.94 122.78 2ppf s ASN 115 Ca -0.02 1.43 -0.36 0.00 -1.02 0.00 0.00 52.86 52.90 2ppf s ASN 115 Cb -0.14 -2.32 -0.16 0.00 0.02 0.00 0.00 41.25 38.64 2ppf s ASN 115 CO -0.07 -1.36 1.36 -2.65 0.02 0.00 0.00 177.10 174.40 2ppf n PRO 116 N -3.06 1.29 -0.36 -0.60 -0.02 -1.26 -1.32 135.00 129.67 2ppf n PRO 116 Ca 0.07 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 2ppf n PRO 116 Cb 0.55 -2.11 0.00 0.00 -0.02 0.00 0.00 33.50 31.91 2ppf n PRO 116 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ppf n GLY 117 N 2.59 0.77 3.46 -1.23 0.00 0.21 -4.72 105.19 106.26 2ppf n GLY 117 Ca 0.18 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.94 2ppf n GLY 117 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ppf s GLU 118 N -0.64 1.65 0.26 1.61 2.02 -0.44 -4.89 118.70 118.27 2ppf s GLU 118 Ca 0.00 -1.60 0.03 0.00 0.02 0.00 0.00 54.97 53.42 2ppf s GLU 118 Cb 0.00 -1.85 -0.05 0.00 0.10 0.00 0.00 34.13 32.33 2ppf s GLU 118 CO 0.00 0.37 0.04 -1.59 0.02 0.00 0.00 175.26 174.10 2ppf s LYS 119 N -3.05 1.44 0.06 1.61 -2.85 -1.26 -0.72 119.74 114.97 2ppf s LYS 119 Ca 0.25 -1.77 -0.15 0.00 -1.00 0.00 0.00 55.97 53.31 2ppf s LYS 119 Cb -0.07 -0.58 0.02 0.00 -2.06 0.00 0.00 37.83 35.14 2ppf s LYS 119 CO 0.13 -0.18 0.34 -0.08 0.10 0.00 0.00 175.35 175.66 2ppf s THR 120 N -3.48 0.08 -0.12 3.79 -1.32 -0.52 -5.00 115.64 109.07 2ppf s THR 120 Ca 0.33 -0.64 0.01 0.00 -1.21 0.00 0.00 61.69 60.18 2ppf s THR 120 Cb 0.07 -1.01 0.02 0.00 -1.51 0.00 0.00 72.50 70.07 2ppf s THR 120 CO 0.12 -0.35 -0.13 -0.63 -2.21 0.00 0.00 174.62 171.41 2ppf s ILE 121 N -2.83 1.41 -0.08 5.08 1.01 -1.26 -0.97 121.20 123.57 2ppf s ILE 121 Ca -0.03 -0.57 0.04 0.00 0.00 0.00 0.00 60.65 60.09 2ppf s ILE 121 Cb 0.00 -1.32 -0.02 0.00 0.01 0.00 0.00 42.46 41.14 2ppf s ILE 121 CO -0.05 0.43 -0.19 -0.22 0.00 0.00 0.00 174.94 174.91 2ppf s LEU 122 N 1.21 2.43 -0.04 2.97 2.96 -0.44 -4.97 118.68 122.79 2ppf s LEU 122 Ca -0.02 -0.38 0.06 0.00 -0.22 0.00 0.00 54.13 53.57 2ppf s LEU 122 Cb -0.14 -1.49 -0.02 0.00 0.50 0.00 0.00 46.19 45.04 2ppf s LEU 122 CO -0.05 0.24 -0.23 -0.60 -1.32 0.00 0.00 176.35 174.40 2ppf s ARG 123 N -0.14 2.34 0.03 1.98 3.52 -1.26 -0.67 118.95 124.76 2ppf s ARG 123 Ca -0.03 -0.87 -0.03 0.00 -0.13 0.00 0.00 55.73 54.67 2ppf s ARG 123 Cb -0.14 -2.15 -0.02 0.00 -1.56 0.00 0.00 34.95 31.08 2ppf s ARG 123 CO 0.04 0.51 0.04 -0.59 -0.81 0.00 0.00 175.30 174.49 2ppf s PHE 124 N -0.49 0.28 -0.13 5.12 -0.12 -0.61 -4.99 117.98 117.05 2ppf s PHE 124 Ca 0.06 -0.62 -0.20 0.00 -0.05 0.00 0.00 56.93 56.12 2ppf s PHE 124 Cb -0.11 -0.21 -0.04 0.00 -0.63 0.00 0.00 43.02 42.04 2ppf s PHE 124 CO 0.01 -0.32 0.58 0.21 -0.05 0.00 0.00 175.22 175.64 2ppf s LYS 125 N -2.56 4.33 -1.27 1.99 2.20 -1.26 -0.91 119.74 122.24 2ppf s LYS 125 Ca -0.05 0.60 -0.16 0.00 -0.36 0.00 0.00 55.97 56.00 2ppf s LYS 125 Cb -0.02 -3.48 0.11 0.00 -1.51 0.00 0.00 37.83 32.93 2ppf s LYS 125 CO -0.05 0.02 1.65 0.00 -0.36 0.00 0.00 175.35 176.61 2ppf n ALA 126 N 4.11 3.86 0.28 3.13 0.00 -0.01 -4.79 120.51 127.08 2ppf n ALA 126 Ca -0.04 -4.03 0.13 0.00 0.00 0.00 0.00 53.44 49.51 2ppf n ALA 126 Cb 0.51 -3.36 0.33 0.00 0.00 0.00 0.00 19.45 16.93 2ppf n ALA 126 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 2ppf h THR 127 N 5.04 0.00 -3.90 0.00 1.35 -1.85 0.14 112.91 113.69 2ppf h THR 127 Ca 0.40 -0.80 -0.51 0.00 -0.55 0.00 0.00 66.41 64.94 2ppf h THR 127 Cb 0.85 1.79 -0.31 0.00 -1.73 0.00 0.00 68.15 68.75 2ppf h THR 127 CO 1.40 0.00 -0.82 -0.54 -0.25 0.00 0.00 175.52 175.31 2ppf s LYS 128 N -3.32 1.47 0.22 4.72 1.02 -1.26 -4.75 119.74 117.84 2ppf s LYS 128 Ca 0.06 -0.51 -0.29 0.00 0.02 0.00 0.00 55.97 55.25 2ppf s LYS 128 Cb 0.07 -1.31 -0.09 0.00 -0.52 0.00 0.00 37.83 35.98 2ppf s LYS 128 CO 0.62 0.21 0.90 -1.25 -0.92 0.00 0.00 175.35 174.92 2ppf s PRO 129 N 0.05 4.79 0.00 -1.68 0.04 -1.26 -4.82 135.00 132.12 2ppf s PRO 129 Ca -0.03 1.42 0.00 0.00 0.04 0.00 0.00 61.00 62.43 2ppf s PRO 129 Cb -0.10 -3.28 0.00 0.00 0.04 0.00 0.00 34.50 31.16 2ppf s PRO 129 CO 0.01 0.52 0.00 0.41 0.04 0.00 0.00 177.00 177.98 2ppf n GLY 130 N 1.54 0.42 3.83 0.56 0.00 0.22 -2.22 105.19 109.54 2ppf n GLY 130 Ca -0.03 -1.36 -0.37 0.00 0.00 0.00 0.00 46.02 44.26 2ppf n GLY 130 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2ppf s VAL 131 N -1.89 5.22 0.01 1.61 -7.23 0.66 0.25 120.40 119.02 2ppf s VAL 131 Ca 0.00 0.61 0.01 0.00 -1.81 0.00 0.00 61.98 60.78 2ppf s VAL 131 Cb 0.00 -3.61 -0.01 0.00 0.56 0.00 0.00 36.38 33.32 2ppf s VAL 131 CO 0.00 0.56 -0.03 -0.36 -0.31 0.00 0.00 175.10 174.96 2ppf s PHE 132 N -0.82 0.27 0.51 2.82 0.08 -0.26 -4.44 117.98 116.13 2ppf s PHE 132 Ca 0.20 -0.22 -0.20 0.00 0.12 0.00 0.00 56.93 56.83 2ppf s PHE 132 Cb -0.15 -0.18 -0.07 0.00 -0.57 0.00 0.00 43.02 42.06 2ppf s PHE 132 CO 0.09 -0.06 1.11 0.08 -0.10 0.00 0.00 175.22 176.34 2ppf s VAL 133 N -0.57 3.33 0.10 -0.44 1.01 -1.26 -0.52 120.40 122.05 2ppf s VAL 133 Ca -0.05 0.86 0.07 0.00 0.00 0.00 0.00 61.98 62.86 2ppf s VAL 133 Cb -0.04 -3.36 -0.03 0.00 0.00 0.00 0.00 36.38 32.94 2ppf s VAL 133 CO -0.00 -0.15 -0.17 -0.72 0.00 0.00 0.00 175.10 174.06 2ppf s TYR 134 N -1.79 1.48 0.11 5.22 -0.85 -0.62 -1.26 117.35 119.64 2ppf s TYR 134 Ca 0.70 -0.47 -0.25 0.00 -0.52 0.00 0.00 57.07 56.53 2ppf s TYR 134 Cb -0.22 -0.81 0.08 0.00 0.38 0.00 0.00 41.96 41.39 2ppf s TYR 134 CO 0.26 0.14 0.67 -3.38 -1.52 0.00 0.00 175.55 171.72 2ppf s HIS 135 N -1.46 -0.51 0.52 -3.49 -3.43 -0.19 -0.87 115.29 105.85 2ppf s HIS 135 Ca 0.04 0.37 -0.20 0.00 -0.80 0.00 0.00 55.06 54.48 2ppf s HIS 135 Cb -0.09 0.54 -0.07 0.00 -1.43 0.00 0.00 32.58 31.54 2ppf s HIS 135 CO 0.03 -0.76 1.09 0.00 -2.00 0.00 0.00 174.74 173.10 2ppf n ALA 137 N -1.19 -1.56 -2.29 0.00 0.00 -1.26 -4.51 120.51 109.70 2ppf n ALA 137 Ca 0.10 -1.30 -0.42 0.00 0.00 0.00 0.00 53.44 51.82 2ppf n ALA 137 Cb 0.52 -1.41 -0.03 0.00 0.00 0.00 0.00 19.45 18.53 2ppf n ALA 137 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 2ppf s PRO 138 N 0.73 4.32 0.18 0.00 0.02 -1.26 -4.87 135.00 134.11 2ppf s PRO 138 Ca 0.31 1.90 -0.33 0.00 0.02 0.00 0.00 61.00 62.90 2ppf s PRO 138 Cb 0.18 -3.49 -0.15 0.00 0.02 0.00 0.00 34.50 31.06 2ppf s PRO 138 CO -0.21 -0.49 1.31 -2.30 -0.33 0.00 0.00 177.00 174.99 2ppf n PRO 139 N 4.94 1.54 -0.20 5.54 -0.02 -1.26 -0.72 135.00 144.82 2ppf n PRO 139 Ca 0.12 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 2ppf n PRO 139 Cb 0.44 -2.15 0.00 0.00 -0.02 0.00 0.00 33.50 31.78 2ppf n PRO 139 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ppf n GLY 140 N 2.29 2.03 1.66 -1.23 0.00 -1.26 -4.81 105.19 103.87 2ppf n GLY 140 Ca 0.15 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.20 2ppf n GLY 140 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2ppf n MET 141 N -2.00 0.30 0.43 1.61 2.81 0.10 -4.99 117.12 115.39 2ppf n MET 141 Ca 0.00 -2.26 -0.17 0.00 -1.81 0.00 0.00 57.70 53.46 2ppf n MET 141 Cb 0.00 -0.28 -0.08 0.00 -0.71 0.00 0.00 33.22 32.15 2ppf n MET 141 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 2ppf h VAL 142 N 6.61 0.00 -0.16 2.03 2.07 -1.83 -2.71 116.25 122.26 2ppf h VAL 142 Ca -0.21 -0.17 -0.04 0.00 0.82 0.00 0.00 66.70 67.10 2ppf h VAL 142 Cb 1.78 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.54 2ppf h VAL 142 CO 0.11 0.00 -0.09 1.55 0.02 0.00 0.00 177.57 179.16 2ppf h PRO 143 N -1.28 0.24 -0.43 1.57 0.13 -1.92 -2.50 132.00 127.81 2ppf h PRO 143 Ca -0.11 -0.05 0.01 0.00 -0.87 0.00 0.00 66.00 64.98 2ppf h PRO 143 Cb 0.85 -0.04 -0.03 0.00 0.13 0.00 0.00 31.00 31.92 2ppf h PRO 143 CO 0.19 0.35 0.26 2.35 -0.23 0.00 0.00 178.00 180.91 2ppf h TRP 144 N 0.23 0.49 -0.53 1.56 7.01 -1.95 0.74 115.95 123.50 2ppf h TRP 144 Ca 0.05 0.01 -0.06 0.00 2.11 0.00 0.00 58.89 61.00 2ppf h TRP 144 Cb 0.31 -0.16 -0.02 0.00 -2.10 0.00 0.00 29.16 27.19 2ppf h TRP 144 CO 0.00 0.29 0.09 0.45 -2.79 0.00 0.00 178.44 176.49 2ppf h HIS 145 N 0.53 0.94 -0.30 2.65 3.86 -1.17 -2.05 115.15 119.61 2ppf h HIS 145 Ca 0.17 -0.13 -0.04 0.00 -1.16 0.00 0.00 60.37 59.21 2ppf h HIS 145 Cb -0.01 -0.26 -0.01 0.00 1.06 0.00 0.00 27.41 28.19 2ppf h HIS 145 CO -0.06 0.84 0.04 0.28 0.86 0.00 0.00 177.93 179.88 2ppf h VAL 146 N 0.77 1.24 -0.00 2.45 2.07 -1.00 -2.31 116.25 119.46 2ppf h VAL 146 Ca 0.16 -0.83 0.00 0.00 0.82 0.00 0.00 66.70 66.85 2ppf h VAL 146 Cb 0.40 1.20 0.00 0.00 -1.52 0.00 0.00 31.29 31.38 2ppf h VAL 146 CO 0.01 0.27 -0.00 1.33 0.02 0.00 0.00 177.57 179.20 2ppf n VAL 147 N -4.62 0.00 1.14 2.57 0.24 0.21 -1.51 118.33 116.36 2ppf n VAL 147 Ca -0.02 -0.02 0.08 0.00 -2.04 0.00 0.00 64.34 62.34 2ppf n VAL 147 Cb 0.22 -0.42 0.29 0.00 -1.47 0.00 0.00 33.84 32.46 2ppf n VAL 147 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 2ppf n SER 148 N -0.96 1.65 0.00 -1.34 7.64 -0.77 -4.64 113.62 115.20 2ppf n SER 148 Ca 0.22 -1.81 0.00 0.00 1.01 0.00 0.00 58.87 58.29 2ppf n SER 148 Cb 0.15 -0.15 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 2ppf n SER 148 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ppf n GLY 149 N 1.08 0.93 2.79 0.23 0.00 -0.57 -1.71 105.19 107.93 2ppf n GLY 149 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 2ppf n GLY 149 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2ppf n MET 150 N -2.03 3.72 -3.53 1.61 0.00 -0.95 -4.53 117.12 111.42 2ppf n MET 150 Ca 0.00 -3.44 -0.13 0.00 0.00 0.00 0.00 57.70 54.12 2ppf n MET 150 Cb 0.00 -2.90 -0.04 0.00 0.00 0.00 0.00 33.22 30.28 2ppf n MET 150 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 2ppf s ASN 151 N 0.92 -0.48 0.00 6.12 2.20 -1.26 -1.84 114.94 120.59 2ppf s ASN 151 Ca 0.42 0.13 0.00 0.00 -0.94 0.00 0.00 52.86 52.47 2ppf s ASN 151 Cb 0.11 0.53 0.00 0.00 -2.00 0.00 0.00 41.25 39.89 2ppf s ASN 151 CO -0.02 -0.79 0.00 0.61 -2.94 0.00 0.00 177.10 173.96 2ppf n GLY 152 N 0.16 3.53 3.32 0.45 0.00 -0.05 -0.31 105.19 112.30 2ppf n GLY 152 Ca -0.18 -0.63 -0.10 0.00 0.00 0.00 0.00 46.02 45.12 2ppf n GLY 152 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ppf s ALA 153 N -1.12 -0.48 0.27 4.61 0.00 -1.26 -1.60 121.76 122.18 2ppf s ALA 153 Ca 0.00 -0.46 0.08 0.00 0.00 0.00 0.00 51.96 51.58 2ppf s ALA 153 Cb 0.00 0.71 -0.05 0.00 0.00 0.00 0.00 23.12 23.77 2ppf s ALA 153 CO 0.00 -0.63 -0.12 0.96 0.00 0.00 0.00 175.76 175.97 2ppf s ILE 154 N -3.88 1.93 -0.12 0.00 -4.36 0.32 -3.02 121.20 112.07 2ppf s ILE 154 Ca 0.08 -2.22 0.02 0.00 -0.26 0.00 0.00 60.65 58.28 2ppf s ILE 154 Cb 0.03 -2.33 0.01 0.00 1.25 0.00 0.00 42.46 41.42 2ppf s ILE 154 CO -0.07 -0.39 -0.19 -0.32 0.24 0.00 0.00 174.94 174.21 2ppf s MET 155 N -3.64 2.67 -0.48 0.37 -2.45 0.21 -1.11 119.30 114.88 2ppf s MET 155 Ca 0.28 -0.73 -0.08 0.00 -1.25 0.00 0.00 55.69 53.92 2ppf s MET 155 Cb 0.00 -2.19 0.12 0.00 1.25 0.00 0.00 34.83 34.02 2ppf s MET 155 CO 0.12 -0.02 0.33 0.08 1.05 0.00 0.00 175.02 176.58 2ppf s VAL 156 N 0.85 4.03 0.42 10.11 1.01 0.14 -1.23 120.40 135.73 2ppf s VAL 156 Ca -0.08 -1.93 -0.23 0.00 0.00 0.00 0.00 61.98 59.75 2ppf s VAL 156 Cb -0.15 -3.67 -0.09 0.00 0.00 0.00 0.00 36.38 32.47 2ppf s VAL 156 CO -0.01 -0.77 1.03 -0.76 0.00 0.00 0.00 175.10 174.59 2ppf s LEU 157 N 1.20 4.05 0.62 3.92 1.43 -0.04 -0.61 118.68 129.25 2ppf s LEU 157 Ca 0.07 1.97 -0.19 0.00 -1.03 0.00 0.00 54.13 54.96 2ppf s LEU 157 Cb -0.25 -4.31 -0.02 0.00 0.03 0.00 0.00 46.19 41.64 2ppf s LEU 157 CO -0.02 -0.54 1.29 -2.84 0.23 0.00 0.00 176.35 174.47 2ppf s PRO 158 N -2.73 2.74 0.53 1.29 0.02 -1.26 -0.51 135.00 135.08 2ppf s PRO 158 Ca 0.60 2.06 0.19 0.00 0.02 0.00 0.00 61.00 63.88 2ppf s PRO 158 Cb -0.19 -1.94 1.36 0.00 0.02 0.00 0.00 34.50 33.74 2ppf s PRO 158 CO 0.24 -1.45 2.13 0.00 -0.33 0.00 0.00 177.00 177.59 2ppf h ARG 159 N 0.79 0.00 -0.66 5.54 3.08 -1.88 -0.39 114.38 120.86 2ppf h ARG 159 Ca -0.51 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.54 2ppf h ARG 159 Cb 1.32 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.37 2ppf h ARG 159 CO 0.54 0.00 0.00 0.39 -1.07 0.00 0.00 179.97 179.83 2ppf n GLU 160 N -4.42 3.60 -0.12 0.04 -0.58 -1.26 -0.52 120.64 117.37 2ppf n GLU 160 Ca -0.01 -2.28 0.02 0.00 -0.42 0.00 0.00 57.16 54.47 2ppf n GLU 160 Cb 0.19 -1.95 -0.00 0.00 -0.57 0.00 0.00 31.44 29.11 2ppf n GLU 160 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2ppf n GLY 161 N 0.64 -1.97 3.83 0.62 0.00 -0.16 -4.77 105.19 103.39 2ppf n GLY 161 Ca 0.20 -1.38 -0.33 0.00 0.00 0.00 0.00 46.02 44.52 2ppf n GLY 161 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ppf s LEU 162 N 0.00 3.92 0.08 0.99 1.43 -1.26 -4.43 118.68 119.41 2ppf s LEU 162 Ca 0.00 1.56 0.01 0.00 -1.03 0.00 0.00 54.13 54.67 2ppf s LEU 162 Cb 0.00 -4.41 -0.04 0.00 0.03 0.00 0.00 46.19 41.77 2ppf s LEU 162 CO 0.00 -0.36 -0.05 -1.00 0.23 0.00 0.00 176.35 175.17 2ppf s HIS 163 N -2.21 0.74 0.74 0.29 3.76 -1.26 -1.16 115.29 116.20 2ppf s HIS 163 Ca 0.59 -0.95 -0.13 0.00 -0.15 0.00 0.00 55.06 54.43 2ppf s HIS 163 Cb -0.09 -0.46 0.17 0.00 1.11 0.00 0.00 32.58 33.30 2ppf s HIS 163 CO 0.17 -0.23 1.01 -0.40 -0.85 0.00 0.00 174.74 174.44 2ppf n ASP 164 N 0.08 0.07 0.18 1.40 3.85 0.59 -4.82 116.55 117.90 2ppf n ASP 164 Ca -0.13 -1.36 0.13 0.00 -0.71 0.00 0.00 54.79 52.71 2ppf n ASP 164 Cb 0.61 -0.77 0.63 0.00 -1.35 0.00 0.00 41.12 40.23 2ppf n ASP 164 CO 0.00 0.00 0.00 1.23 -1.01 0.00 0.00 177.20 177.42 2ppf h GLY 165 N -1.32 0.00 -1.59 6.12 0.00 -1.89 -2.29 103.07 102.09 2ppf h GLY 165 Ca -0.33 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.00 2ppf h GLY 165 CO 0.23 0.00 0.00 0.28 0.00 0.00 0.00 176.54 177.05 2ppf n LYS 166 N -2.37 2.86 -0.80 4.80 5.02 -1.26 -4.98 118.16 121.43 2ppf n LYS 166 Ca -0.00 -2.20 0.00 0.00 -2.02 0.00 0.00 58.31 54.08 2ppf n LYS 166 Cb 0.11 -1.35 0.00 0.00 -0.02 0.00 0.00 35.03 33.77 2ppf n LYS 166 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2ppf n GLY 167 N 0.73 0.93 3.74 0.72 0.00 -0.86 -5.03 105.19 105.42 2ppf n GLY 167 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 2ppf n GLY 167 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ppf s LYS 168 N -0.19 4.46 0.34 1.61 -0.14 -1.26 -4.75 119.74 119.81 2ppf s LYS 168 Ca 0.00 1.97 -0.29 0.00 -1.36 0.00 0.00 55.97 56.29 2ppf s LYS 168 Cb 0.00 -3.20 -0.11 0.00 -1.68 0.00 0.00 37.83 32.84 2ppf s LYS 168 CO 0.00 -0.13 1.39 0.00 -0.76 0.00 0.00 175.35 175.85 2ppf s ALA 169 N -0.22 3.54 -0.23 5.17 0.00 -1.26 -0.30 121.76 128.46 2ppf s ALA 169 Ca 0.53 1.38 0.02 0.00 0.00 0.00 0.00 51.96 53.89 2ppf s ALA 169 Cb -0.35 -3.53 0.05 0.00 0.00 0.00 0.00 23.12 19.29 2ppf s ALA 169 CO 0.39 -0.80 -0.12 -0.51 0.00 0.00 0.00 175.76 174.73 2ppf s LEU 170 N -1.72 2.83 -0.22 0.00 1.43 -0.31 -4.81 118.68 115.88 2ppf s LEU 170 Ca 0.51 -1.12 0.01 0.00 -1.03 0.00 0.00 54.13 52.50 2ppf s LEU 170 Cb -0.42 -1.42 0.03 0.00 0.03 0.00 0.00 46.19 44.41 2ppf s LEU 170 CO 0.55 -0.15 -0.13 -0.89 0.23 0.00 0.00 176.35 175.96 2ppf s THR 171 N 1.24 2.37 0.42 5.49 2.01 -1.26 -4.08 115.64 121.84 2ppf s THR 171 Ca -0.04 -1.10 -0.14 0.00 0.31 0.00 0.00 61.69 60.71 2ppf s THR 171 Cb -0.18 -2.15 -0.08 0.00 0.01 0.00 0.00 72.50 70.10 2ppf s THR 171 CO -0.07 0.31 0.85 -0.72 -0.69 0.00 0.00 174.62 174.29 2ppf s TYR 172 N 1.27 3.43 -0.01 4.92 -0.85 -1.26 -4.87 117.35 119.97 2ppf s TYR 172 Ca 0.01 1.26 0.08 0.00 -0.52 0.00 0.00 57.07 57.90 2ppf s TYR 172 Cb -0.16 -2.61 -0.23 0.00 0.38 0.00 0.00 41.96 39.34 2ppf s TYR 172 CO -0.08 -0.15 0.79 -0.44 -1.52 0.00 0.00 175.55 174.15 2ppf h ASP 173 N 1.42 0.07 -5.16 -0.18 3.32 -1.04 -3.49 116.42 111.36 2ppf h ASP 173 Ca -0.47 -0.13 -0.07 0.00 0.02 0.00 0.00 57.03 56.38 2ppf h ASP 173 Cb 1.18 -0.02 -0.12 0.00 0.22 0.00 0.00 39.33 40.59 2ppf h ASP 173 CO 0.63 1.11 -0.20 -1.59 -1.72 0.00 0.00 179.24 177.48 2ppf s LYS 174 N -2.62 1.12 -0.01 3.56 -2.85 -1.04 -5.02 119.74 112.88 2ppf s LYS 174 Ca -0.05 -0.96 0.01 0.00 -1.00 0.00 0.00 55.97 53.97 2ppf s LYS 174 Cb 0.08 0.42 0.00 0.00 -2.06 0.00 0.00 37.83 36.28 2ppf s LYS 174 CO 0.82 -0.42 -0.04 -1.50 0.10 0.00 0.00 175.35 174.31 2ppf s ILE 175 N -3.89 0.33 0.13 3.79 2.07 -1.26 -1.37 121.20 121.01 2ppf s ILE 175 Ca 0.10 -0.13 0.10 0.00 -1.41 0.00 0.00 60.65 59.30 2ppf s ILE 175 Cb 0.02 -0.32 -0.04 0.00 0.13 0.00 0.00 42.46 42.26 2ppf s ILE 175 CO -0.06 0.12 -0.23 -0.31 -1.91 0.00 0.00 174.94 172.55 2ppf s TYR 176 N 0.20 2.03 -0.26 3.50 2.02 -0.29 -4.48 117.35 120.07 2ppf s TYR 176 Ca -0.02 -0.40 0.00 0.00 -0.37 0.00 0.00 57.07 56.28 2ppf s TYR 176 Cb -0.05 -1.08 0.04 0.00 -0.40 0.00 0.00 41.96 40.48 2ppf s TYR 176 CO -0.00 0.31 -0.07 -0.47 -1.57 0.00 0.00 175.55 173.74 2ppf s TYR 177 N -1.34 3.17 -0.41 2.71 5.04 0.07 -0.87 117.35 125.71 2ppf s TYR 177 Ca 0.12 -1.93 -0.13 0.00 -2.44 0.00 0.00 57.07 52.70 2ppf s TYR 177 Cb -0.09 -2.02 0.04 0.00 0.35 0.00 0.00 41.96 40.25 2ppf s TYR 177 CO 0.06 -0.81 0.28 0.08 -1.34 0.00 0.00 175.55 173.82 2ppf s VAL 178 N 1.22 4.84 -0.19 3.14 1.01 0.42 -4.18 120.40 126.67 2ppf s VAL 178 Ca -0.04 -0.93 -0.17 0.00 0.00 0.00 0.00 61.98 60.84 2ppf s VAL 178 Cb -0.18 -3.78 -0.04 0.00 0.00 0.00 0.00 36.38 32.38 2ppf s VAL 178 CO -0.04 -0.37 0.44 -0.83 0.00 0.00 0.00 175.10 174.30 2ppf s GLY 179 N 1.88 2.14 -0.18 4.51 0.00 -1.26 -2.01 107.32 112.39 2ppf s GLY 179 Ca 0.03 -0.43 -0.08 0.00 0.00 0.00 0.00 44.72 44.24 2ppf s GLY 179 CO 0.07 0.88 0.09 1.85 0.00 0.00 0.00 173.10 175.98 2ppf s GLU 180 N 1.26 3.97 -0.12 2.90 2.12 -0.54 -1.98 118.70 126.31 2ppf s GLU 180 Ca 0.22 -0.29 0.02 0.00 0.36 0.00 0.00 54.97 55.27 2ppf s GLU 180 Cb -0.15 -3.26 0.01 0.00 0.26 0.00 0.00 34.13 31.00 2ppf s GLU 180 CO 0.09 0.33 -0.17 -1.14 -0.54 0.00 0.00 175.26 173.83 2ppf s GLN 181 N 0.22 2.40 -0.21 4.30 2.00 0.78 -4.51 119.66 124.64 2ppf s GLN 181 Ca 0.06 -0.62 -0.21 0.00 -2.00 0.00 0.00 55.36 52.58 2ppf s GLN 181 Cb -0.12 -2.02 -0.02 0.00 0.80 0.00 0.00 33.01 31.65 2ppf s GLN 181 CO -0.00 -0.07 0.65 0.16 -0.50 0.00 0.00 175.29 175.53 2ppf s ASP 182 N 1.00 6.68 0.10 6.67 3.84 -1.26 -0.84 116.67 132.85 2ppf s ASP 182 Ca -0.06 0.82 0.06 0.00 -0.00 0.00 0.00 52.55 53.38 2ppf s ASP 182 Cb -0.15 -2.35 -0.04 0.00 -1.38 0.00 0.00 42.92 39.00 2ppf s ASP 182 CO -0.03 -0.32 -0.04 -0.36 -0.00 0.00 0.00 175.17 174.42 2ppf s PHE 183 N 2.14 2.88 -0.55 2.11 0.08 -0.30 -4.75 117.98 119.60 2ppf s PHE 183 Ca 0.29 -0.08 0.04 0.00 0.12 0.00 0.00 56.93 57.30 2ppf s PHE 183 Cb -0.16 -1.49 0.16 0.00 -0.57 0.00 0.00 43.02 40.97 2ppf s PHE 183 CO 0.10 0.46 0.39 0.71 -0.10 0.00 0.00 175.22 176.77 2ppf s TYR 184 N -1.29 2.39 -0.24 0.36 1.51 -1.26 -0.80 117.35 118.02 2ppf s TYR 184 Ca 0.24 -2.81 -0.16 0.00 -1.01 0.00 0.00 57.07 53.33 2ppf s TYR 184 Cb -0.11 -1.92 -0.04 0.00 -0.11 0.00 0.00 41.96 39.78 2ppf s TYR 184 CO 0.17 -0.69 0.42 0.08 -1.11 0.00 0.00 175.55 174.42 2ppf s VAL 185 N -0.56 5.16 0.57 0.71 1.01 -1.26 -4.79 120.40 121.24 2ppf s VAL 185 Ca 0.26 0.72 -0.21 0.00 0.00 0.00 0.00 61.98 62.75 2ppf s VAL 185 Cb -0.06 -3.75 -0.04 0.00 0.00 0.00 0.00 36.38 32.54 2ppf s VAL 185 CO -0.14 0.18 1.33 -2.84 0.00 0.00 0.00 175.10 173.63 2ppf s PRO 186 N 1.79 3.00 0.15 2.72 0.02 -1.26 -4.89 135.00 136.54 2ppf s PRO 186 Ca 0.19 2.17 0.10 0.00 0.02 0.00 0.00 61.00 63.48 2ppf s PRO 186 Cb -0.15 -2.15 -0.04 0.00 0.02 0.00 0.00 34.50 32.18 2ppf s PRO 186 CO 0.09 -1.28 -0.20 1.03 -0.33 0.00 0.00 177.00 176.31 2ppf s ARG 187 N -3.03 1.70 0.91 5.54 0.52 -1.26 -1.09 118.95 122.23 2ppf s ARG 187 Ca 0.74 -1.32 -0.12 0.00 -0.52 0.00 0.00 55.73 54.50 2ppf s ARG 187 Cb -0.39 -2.01 0.18 0.00 0.52 0.00 0.00 34.95 33.25 2ppf s ARG 187 CO 0.45 0.44 1.25 0.16 0.02 0.00 0.00 175.30 177.62 2ppf s ASP 188 N -2.41 3.40 0.08 0.23 1.47 -0.13 -4.85 116.67 114.45 2ppf s ASP 188 Ca 0.19 0.11 0.16 0.00 1.18 0.00 0.00 52.55 54.20 2ppf s ASP 188 Cb -0.09 -0.23 0.68 0.00 -0.34 0.00 0.00 42.92 42.94 2ppf s ASP 188 CO 0.10 -2.53 1.50 -1.84 0.68 0.00 0.00 175.17 173.08 2ppf n GLU 189 N -3.55 0.05 0.00 2.11 0.28 -1.26 -0.97 120.64 117.31 2ppf n GLU 189 Ca 0.15 0.32 0.14 0.00 -0.16 0.00 0.00 57.16 57.62 2ppf n GLU 189 Cb 0.60 -1.61 0.55 0.00 1.43 0.00 0.00 31.44 32.40 2ppf n GLU 189 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 2ppf n ASN 190 N -1.71 0.92 0.00 -1.84 3.02 -1.26 -4.94 115.26 109.45 2ppf n ASN 190 Ca 0.03 -1.00 0.00 0.00 -0.03 0.00 0.00 54.58 53.58 2ppf n ASN 190 Cb 0.17 0.02 0.00 0.00 -0.61 0.00 0.00 39.78 39.36 2ppf n ASN 190 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2ppf n GLY 191 N 1.24 0.71 3.77 7.41 0.00 -0.14 -5.05 105.19 113.13 2ppf n GLY 191 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 2ppf n GLY 191 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ppf s LYS 192 N -0.34 4.39 0.30 1.61 3.01 -1.26 -4.80 119.74 122.66 2ppf s LYS 192 Ca 0.00 0.91 -0.29 0.00 -1.01 0.00 0.00 55.97 55.58 2ppf s LYS 192 Cb 0.00 -3.31 -0.11 0.00 -1.01 0.00 0.00 37.83 33.40 2ppf s LYS 192 CO 0.00 0.43 1.49 0.71 0.51 0.00 0.00 175.35 178.49 2ppf s TYR 193 N -0.50 2.83 0.41 3.18 1.51 -1.26 -0.96 117.35 122.57 2ppf s TYR 193 Ca 0.34 1.02 -0.14 0.00 -1.01 0.00 0.00 57.07 57.28 2ppf s TYR 193 Cb -0.20 -3.94 -0.08 0.00 -0.11 0.00 0.00 41.96 37.63 2ppf s TYR 193 CO 0.21 -2.96 0.83 0.15 -1.11 0.00 0.00 175.55 172.66 2ppf s LYS 194 N -0.99 3.92 0.10 -0.62 1.02 -0.25 -4.85 119.74 118.08 2ppf s LYS 194 Ca 0.58 0.70 0.10 0.00 0.02 0.00 0.00 55.97 57.37 2ppf s LYS 194 Cb -0.45 -2.32 -0.04 0.00 -0.52 0.00 0.00 37.83 34.51 2ppf s LYS 194 CO 0.51 -0.04 -0.24 0.15 -0.92 0.00 0.00 175.35 174.80 2ppf s LYS 195 N -3.61 1.61 0.07 1.68 1.02 -1.26 -4.75 119.74 114.50 2ppf s LYS 195 Ca 0.55 -1.24 0.04 0.00 0.02 0.00 0.00 55.97 55.34 2ppf s LYS 195 Cb -0.10 -1.98 -0.03 0.00 -0.52 0.00 0.00 37.83 35.20 2ppf s LYS 195 CO 0.26 0.48 -0.11 0.71 -0.92 0.00 0.00 175.35 175.76 2ppf s TYR 196 N -1.01 1.00 0.03 3.18 2.02 -1.26 -5.07 117.35 116.24 2ppf s TYR 196 Ca 0.14 -0.52 -0.19 0.00 -0.37 0.00 0.00 57.07 56.13 2ppf s TYR 196 Cb -0.10 -0.56 -0.17 0.00 -0.40 0.00 0.00 41.96 40.72 2ppf s TYR 196 CO 0.06 -0.00 1.24 0.93 -1.57 0.00 0.00 175.55 176.21 2ppf h GLU 197 N 4.17 0.45 -5.16 -0.62 5.08 -2.01 -3.47 114.58 113.03 2ppf h GLU 197 Ca -0.38 -0.34 -0.36 0.00 -1.00 0.00 0.00 59.36 57.27 2ppf h GLU 197 Cb 1.19 0.06 -0.18 0.00 0.50 0.00 0.00 28.75 30.33 2ppf h GLU 197 CO 0.44 0.97 -0.74 0.00 -1.00 0.00 0.00 179.01 178.67 2ppf s ALA 198 N -3.78 1.28 0.20 3.43 0.00 -1.26 -5.07 121.76 116.57 2ppf s ALA 198 Ca -0.13 -1.24 -0.10 0.00 0.00 0.00 0.00 51.96 50.49 2ppf s ALA 198 Cb 0.05 -0.02 0.22 0.00 0.00 0.00 0.00 23.12 23.37 2ppf s ALA 198 CO 0.80 0.02 1.81 -1.00 0.00 0.00 0.00 175.76 177.39 2ppf h PRO 199 N 3.53 0.66 -0.08 0.00 0.13 -1.95 -2.13 132.00 132.15 2ppf h PRO 199 Ca -0.38 -0.04 0.02 0.00 -0.87 0.00 0.00 66.00 64.73 2ppf h PRO 199 Cb 1.19 -0.15 -0.00 0.00 0.13 0.00 0.00 31.00 32.17 2ppf h PRO 199 CO 0.52 0.44 0.06 0.78 -0.23 0.00 0.00 178.00 179.57 2ppf h GLY 200 N 0.68 0.00 2.00 1.56 0.00 -2.00 -1.88 103.07 103.43 2ppf h GLY 200 Ca 0.28 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.60 2ppf h GLY 200 CO -0.17 0.00 -0.05 -0.55 0.00 0.00 0.00 176.54 175.78 2ppf h ASP 201 N 0.00 0.00 0.42 0.19 3.45 -1.80 -1.98 116.42 116.69 2ppf h ASP 201 Ca 0.04 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.50 2ppf h ASP 201 Cb 0.16 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.93 2ppf h ASP 201 CO -0.00 0.05 -0.26 0.00 -1.57 0.00 0.00 179.24 177.45 2ppf n ALA 202 N -2.49 3.05 0.18 3.45 0.00 -0.71 -4.60 120.51 119.40 2ppf n ALA 202 Ca -0.03 -0.32 -0.15 0.00 0.00 0.00 0.00 53.44 52.94 2ppf n ALA 202 Cb 0.13 -1.22 -0.08 0.00 0.00 0.00 0.00 19.45 18.29 2ppf n ALA 202 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 2ppf h TYR 203 N 0.58 -1.12 -0.53 0.00 5.03 -1.41 0.37 116.97 119.88 2ppf h TYR 203 Ca 0.00 0.02 -0.02 0.00 2.58 0.00 0.00 58.73 61.31 2ppf h TYR 203 Cb 0.46 0.46 -0.02 0.00 1.55 0.00 0.00 36.73 39.17 2ppf h TYR 203 CO 0.00 -0.53 0.26 0.93 -1.32 0.00 0.00 178.16 177.50 2ppf h GLU 204 N -0.73 0.76 -0.62 1.82 5.08 -1.81 -0.64 114.58 118.45 2ppf h GLU 204 Ca -0.01 -0.11 -0.07 0.00 -1.00 0.00 0.00 59.36 58.17 2ppf h GLU 204 Cb 0.70 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.79 2ppf h GLU 204 CO -0.15 0.63 0.12 -0.44 -1.00 0.00 0.00 179.01 178.17 2ppf h ASP 205 N 0.71 0.94 -0.25 1.42 3.45 -1.83 -2.52 116.42 118.34 2ppf h ASP 205 Ca 0.18 -0.20 -0.07 0.00 0.43 0.00 0.00 57.03 57.37 2ppf h ASP 205 Cb 0.12 -0.25 -0.01 0.00 -0.56 0.00 0.00 39.33 38.63 2ppf h ASP 205 CO -0.02 0.93 -0.13 0.74 -1.57 0.00 0.00 179.24 179.18 2ppf h THR 206 N 0.94 1.30 -0.67 0.35 2.02 -0.46 -2.91 112.91 113.47 2ppf h THR 206 Ca 0.19 -1.22 0.04 0.00 0.77 0.00 0.00 66.41 66.19 2ppf h THR 206 Cb 0.38 1.56 -0.04 0.00 -1.74 0.00 0.00 68.15 68.31 2ppf h THR 206 CO 0.01 0.38 0.44 0.58 0.37 0.00 0.00 175.52 177.30 2ppf h VAL 207 N 0.26 1.09 -0.60 3.16 2.07 -1.02 0.64 116.25 121.85 2ppf h VAL 207 Ca 0.05 -0.27 0.01 0.00 0.82 0.00 0.00 66.70 67.31 2ppf h VAL 207 Cb 0.64 0.22 -0.03 0.00 -1.52 0.00 0.00 31.29 30.61 2ppf h VAL 207 CO 0.04 0.14 0.40 0.50 0.02 0.00 0.00 177.57 178.67 2ppf h LYS 208 N 0.79 0.78 -0.32 1.57 3.64 -1.30 -0.84 116.57 120.90 2ppf h LYS 208 Ca 0.27 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.58 2ppf h LYS 208 Cb 0.09 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.72 2ppf h LYS 208 CO -0.08 0.52 0.11 0.28 -2.27 0.00 0.00 179.45 178.01 2ppf h VAL 209 N 0.81 1.20 -0.97 2.00 2.07 -1.10 -3.05 116.25 117.20 2ppf h VAL 209 Ca 0.22 -0.63 0.11 0.00 0.82 0.00 0.00 66.70 67.22 2ppf h VAL 209 Cb -0.09 1.02 -0.08 0.00 -1.52 0.00 0.00 31.29 30.62 2ppf h VAL 209 CO -0.05 0.21 0.60 0.24 0.02 0.00 0.00 177.57 178.59 2ppf h MET 210 N 0.36 0.95 0.00 1.57 2.86 -0.46 -1.94 114.93 118.26 2ppf h MET 210 Ca 0.10 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 2ppf h MET 210 Cb 0.23 -0.21 0.00 0.00 0.06 0.00 0.00 31.60 31.67 2ppf h MET 210 CO -0.00 0.63 0.00 0.00 1.06 0.00 0.00 176.91 178.59 2ppf h ARG 211 N 0.98 0.00 0.00 1.72 3.08 -1.06 -0.26 114.38 118.84 2ppf h ARG 211 Ca 0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.52 2ppf h ARG 211 Cb 0.42 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.47 2ppf h ARG 211 CO -0.25 0.00 0.00 0.25 -1.07 0.00 0.00 179.97 178.90 2ppf n THR 212 N -2.45 0.66 -1.81 2.04 -2.24 -0.73 -4.90 114.28 104.84 2ppf n THR 212 Ca 0.02 0.08 -0.19 0.00 -2.27 0.00 0.00 64.05 61.69 2ppf n THR 212 Cb 0.24 -0.86 -0.06 0.00 -2.10 0.00 0.00 70.33 67.55 2ppf n THR 212 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2ppf n LEU 213 N -1.87 -1.52 -3.95 3.22 4.77 -0.11 -4.95 117.00 112.59 2ppf n LEU 213 Ca 0.04 0.34 -0.31 0.00 -0.03 0.00 0.00 56.01 56.06 2ppf n LEU 213 Cb 0.28 -2.72 -0.15 0.00 -2.33 0.00 0.00 43.42 38.50 2ppf n LEU 213 CO 0.22 -0.77 -0.36 -0.89 -1.33 0.00 0.00 177.39 174.25 2ppf s THR 214 N -2.73 1.83 0.58 -5.08 2.01 -1.26 -5.11 115.64 105.87 2ppf s THR 214 Ca 0.00 -1.84 -0.19 0.00 0.31 0.00 0.00 61.69 59.97 2ppf s THR 214 Cb 0.00 -2.25 -0.04 0.00 0.01 0.00 0.00 72.50 70.22 2ppf s THR 214 CO 0.00 -0.45 1.19 -2.16 -0.69 0.00 0.00 174.62 172.51 2ppf s PRO 215 N 1.17 3.08 0.20 4.92 0.04 -1.26 -4.92 135.00 138.23 2ppf s PRO 215 Ca 0.05 1.78 0.14 0.00 0.04 0.00 0.00 61.00 63.01 2ppf s PRO 215 Cb -0.19 -1.95 -0.03 0.00 0.04 0.00 0.00 34.50 32.37 2ppf s PRO 215 CO -0.11 -1.11 1.27 1.79 0.04 0.00 0.00 177.00 178.88 2ppf h THR 216 N 0.98 0.93 -3.45 1.26 1.35 -1.32 -3.46 112.91 109.19 2ppf h THR 216 Ca -0.50 -2.39 -0.18 0.00 -0.55 0.00 0.00 66.41 62.79 2ppf h THR 216 Cb 1.29 2.41 -0.25 0.00 -1.73 0.00 0.00 68.15 69.88 2ppf h THR 216 CO 0.56 0.53 -0.54 -1.00 -0.25 0.00 0.00 175.52 174.81 2ppf s HIS 217 N -2.90 -0.08 -0.16 4.73 3.76 -1.16 -4.89 115.29 114.59 2ppf s HIS 217 Ca 0.02 0.20 -0.01 0.00 -0.15 0.00 0.00 55.06 55.11 2ppf s HIS 217 Cb 0.08 0.01 0.05 0.00 1.11 0.00 0.00 32.58 33.83 2ppf s HIS 217 CO 0.77 -0.14 -0.01 0.08 -0.85 0.00 0.00 174.74 174.60 2ppf s VAL 218 N -0.41 0.76 0.13 -0.90 1.01 -0.29 -1.15 120.40 119.55 2ppf s VAL 218 Ca -0.05 -0.48 0.04 0.00 0.00 0.00 0.00 61.98 61.48 2ppf s VAL 218 Cb -0.03 -1.07 -0.04 0.00 0.00 0.00 0.00 36.38 35.24 2ppf s VAL 218 CO 0.01 0.01 -0.09 0.68 0.00 0.00 0.00 175.10 175.71 2ppf s VAL 219 N 1.77 1.00 -0.08 2.92 -7.23 -0.02 -0.73 120.40 118.04 2ppf s VAL 219 Ca 0.01 -1.97 -0.03 0.00 -1.81 0.00 0.00 61.98 58.18 2ppf s VAL 219 Cb -0.16 -1.73 -0.03 0.00 0.56 0.00 0.00 36.38 35.02 2ppf s VAL 219 CO -0.07 -0.76 0.03 -0.36 -0.31 0.00 0.00 175.10 173.63 2ppf s PHE 220 N -3.28 3.24 -1.40 2.82 0.08 -1.26 -0.16 117.98 118.02 2ppf s PHE 220 Ca 0.14 0.25 -0.04 0.00 0.12 0.00 0.00 56.93 57.39 2ppf s PHE 220 Cb 0.03 -1.81 0.02 0.00 -0.57 0.00 0.00 43.02 40.69 2ppf s PHE 220 CO -0.01 0.52 0.35 -1.71 -0.10 0.00 0.00 175.22 174.27 2ppf n ASN 221 N 2.03 -4.92 0.00 1.36 4.05 -0.84 -3.10 115.26 113.84 2ppf n ASN 221 Ca -0.18 -0.17 0.00 0.00 0.45 0.00 0.00 54.58 54.68 2ppf n ASN 221 Cb 0.54 -4.05 0.00 0.00 1.23 0.00 0.00 39.78 37.49 2ppf n ASN 221 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2ppf n GLY 222 N -1.19 1.17 3.51 8.20 0.00 -1.00 -4.78 105.19 111.10 2ppf n GLY 222 Ca -0.11 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.75 2ppf n GLY 222 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ppf s ALA 223 N -3.35 -1.77 0.20 4.61 0.00 -1.18 -4.70 121.76 115.56 2ppf s ALA 223 Ca 0.00 1.23 -0.33 0.00 0.00 0.00 0.00 51.96 52.86 2ppf s ALA 223 Cb 0.00 0.04 -0.14 0.00 0.00 0.00 0.00 23.12 23.03 2ppf s ALA 223 CO 0.00 -0.43 1.49 0.28 0.00 0.00 0.00 175.76 177.10 2ppf n VAL 224 N 0.65 0.46 -1.24 0.00 0.31 0.19 -2.05 118.33 116.64 2ppf n VAL 224 Ca -0.17 -0.12 -0.08 0.00 -0.01 0.00 0.00 64.34 63.96 2ppf n VAL 224 Cb 0.58 -1.49 -0.04 0.00 -0.91 0.00 0.00 33.84 31.99 2ppf n VAL 224 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2ppf n GLY 225 N 2.77 0.91 0.27 2.92 0.00 -1.26 -4.85 105.19 105.96 2ppf n GLY 225 Ca 0.14 -0.17 0.09 0.00 0.00 0.00 0.00 46.02 46.08 2ppf n GLY 225 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ppf h ALA 226 N 0.00 1.98 -0.59 4.61 0.00 -1.62 -2.71 119.26 120.93 2ppf h ALA 226 Ca -0.17 -0.00 -0.41 0.00 0.00 0.00 0.00 54.91 54.33 2ppf h ALA 226 Cb 0.86 0.00 -0.28 0.00 0.00 0.00 0.00 17.79 18.37 2ppf h ALA 226 CO 0.25 -0.04 -0.40 1.28 0.00 0.00 0.00 179.25 180.34 2ppf n LEU 227 N -4.47 4.79 -4.54 0.00 4.77 -1.26 -4.77 117.00 111.52 2ppf n LEU 227 Ca -0.02 -4.37 -0.25 0.00 -0.03 0.00 0.00 56.01 51.33 2ppf n LEU 227 Cb 0.12 -0.51 -0.11 0.00 -2.33 0.00 0.00 43.42 40.59 2ppf n LEU 227 CO 0.34 1.75 -0.30 0.42 -1.33 0.00 0.00 177.39 178.27 2ppf s THR 228 N -4.15 1.76 0.00 -5.08 -4.23 -1.02 -0.81 115.64 102.11 2ppf s THR 228 Ca 0.50 -2.03 0.00 0.00 -1.18 0.00 0.00 61.69 58.97 2ppf s THR 228 Cb 0.42 -2.85 0.00 0.00 1.34 0.00 0.00 72.50 71.41 2ppf s THR 228 CO 0.01 -0.05 0.00 0.61 -0.54 0.00 0.00 174.62 174.65 2ppf n GLY 229 N -0.83 3.08 0.00 3.99 0.00 -1.26 -1.47 105.19 108.70 2ppf n GLY 229 Ca -0.04 -0.18 0.09 0.00 0.00 0.00 0.00 46.02 45.88 2ppf n GLY 229 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2ppf n ASP 230 N 6.35 0.00 -0.57 1.61 10.43 -1.26 -1.90 116.55 131.21 2ppf n ASP 230 Ca 0.00 0.00 0.08 0.00 2.57 0.00 0.00 54.79 57.44 2ppf n ASP 230 Cb 0.00 -0.27 0.20 0.00 1.84 0.00 0.00 41.12 42.89 2ppf n ASP 230 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 2ppf n LYS 231 N -1.27 2.47 -1.71 -1.24 5.02 -0.54 -5.02 118.16 115.87 2ppf n LYS 231 Ca 0.09 -2.59 -0.38 0.00 -2.02 0.00 0.00 58.31 53.41 2ppf n LYS 231 Cb 0.14 -1.62 0.05 0.00 -0.02 0.00 0.00 35.03 33.58 2ppf n LYS 231 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2ppf n ALA 232 N -0.64 1.14 -1.52 7.82 0.00 -0.80 -3.98 120.51 122.53 2ppf n ALA 232 Ca 0.17 0.06 -0.31 0.00 0.00 0.00 0.00 53.44 53.37 2ppf n ALA 232 Cb 0.72 -2.30 0.07 0.00 0.00 0.00 0.00 19.45 17.95 2ppf n ALA 232 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 2ppf s MET 233 N -3.04 2.49 0.14 0.00 -1.94 -0.29 -4.82 119.30 111.85 2ppf s MET 233 Ca 0.77 0.86 0.06 0.00 -1.71 0.00 0.00 55.69 55.66 2ppf s MET 233 Cb -0.41 -1.95 -0.04 0.00 2.01 0.00 0.00 34.83 34.45 2ppf s MET 233 CO 0.45 -1.39 -0.13 0.95 -0.01 0.00 0.00 175.02 174.89 2ppf s THR 234 N -3.07 1.34 0.39 2.05 -4.23 -1.26 -0.58 115.64 110.28 2ppf s THR 234 Ca 0.60 -1.87 -0.15 0.00 -1.18 0.00 0.00 61.69 59.08 2ppf s THR 234 Cb -0.15 -1.68 0.06 0.00 1.34 0.00 0.00 72.50 72.08 2ppf s THR 234 CO 0.55 -0.53 0.80 0.00 -0.54 0.00 0.00 174.62 174.90 2ppf s ALA 235 N -2.57 -0.70 0.10 3.99 0.00 -0.91 -4.91 121.76 116.76 2ppf s ALA 235 Ca 0.13 -0.80 0.05 0.00 0.00 0.00 0.00 51.96 51.34 2ppf s ALA 235 Cb -0.02 0.65 -0.03 0.00 0.00 0.00 0.00 23.12 23.72 2ppf s ALA 235 CO 0.03 -0.98 -0.13 0.00 0.00 0.00 0.00 175.76 174.67 2ppf s ALA 236 N -2.10 1.31 0.13 0.00 0.00 -1.26 -1.73 121.76 118.11 2ppf s ALA 236 Ca 0.16 -1.17 -0.35 0.00 0.00 0.00 0.00 51.96 50.60 2ppf s ALA 236 Cb -0.05 -0.06 -0.15 0.00 0.00 0.00 0.00 23.12 22.86 2ppf s ALA 236 CO 0.12 0.10 1.50 0.28 0.00 0.00 0.00 175.76 177.76 2ppf n VAL 237 N 0.80 0.01 0.00 0.00 0.31 -0.01 -0.98 118.33 118.46 2ppf n VAL 237 Ca -0.18 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.15 2ppf n VAL 237 Cb 0.56 -1.29 0.00 0.00 -0.91 0.00 0.00 33.84 32.20 2ppf n VAL 237 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2ppf n GLY 238 N 3.12 2.05 3.77 2.92 0.00 0.76 -4.99 105.19 112.83 2ppf n GLY 238 Ca 0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 2ppf n GLY 238 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2ppf s GLU 239 N -0.81 4.63 -0.24 1.61 2.12 -0.15 -4.79 118.70 121.07 2ppf s GLU 239 Ca 0.00 1.27 -0.10 0.00 0.36 0.00 0.00 54.97 56.51 2ppf s GLU 239 Cb 0.00 -3.09 -0.05 0.00 0.26 0.00 0.00 34.13 31.26 2ppf s GLU 239 CO 0.00 0.45 0.14 0.15 -0.54 0.00 0.00 175.26 175.46 2ppf s LYS 240 N -1.52 3.97 -0.07 4.30 1.02 -1.26 -1.73 119.74 124.46 2ppf s LYS 240 Ca 0.42 -0.32 0.04 0.00 0.02 0.00 0.00 55.97 56.13 2ppf s LYS 240 Cb -0.22 -3.49 0.00 0.00 -0.52 0.00 0.00 37.83 33.60 2ppf s LYS 240 CO 0.27 0.00 -0.18 0.08 -0.92 0.00 0.00 175.35 174.60 2ppf s VAL 241 N 1.19 1.55 -0.21 3.17 1.01 0.31 -0.30 120.40 127.13 2ppf s VAL 241 Ca 0.07 -0.75 -0.10 0.00 0.00 0.00 0.00 61.98 61.20 2ppf s VAL 241 Cb -0.14 -1.35 -0.05 0.00 0.00 0.00 0.00 36.38 34.84 2ppf s VAL 241 CO 0.05 0.45 0.13 -0.22 0.00 0.00 0.00 175.10 175.51 2ppf s LEU 242 N 0.29 4.16 -0.30 3.92 2.96 -0.47 -1.21 118.68 128.03 2ppf s LEU 242 Ca -0.11 0.20 -0.01 0.00 -0.22 0.00 0.00 54.13 53.99 2ppf s LEU 242 Cb -0.15 -2.08 0.05 0.00 0.50 0.00 0.00 46.19 44.52 2ppf s LEU 242 CO 0.05 0.16 -0.00 -0.63 -1.32 0.00 0.00 176.35 174.60 2ppf s ILE 243 N 0.48 2.90 -0.04 6.68 1.01 0.50 -1.14 121.20 131.59 2ppf s ILE 243 Ca 0.08 -1.46 -0.19 0.00 0.00 0.00 0.00 60.65 59.07 2ppf s ILE 243 Cb -0.12 -2.69 -0.05 0.00 0.01 0.00 0.00 42.46 39.61 2ppf s ILE 243 CO -0.01 -0.13 0.55 -0.69 0.00 0.00 0.00 174.94 174.66 2ppf s VAL 244 N 1.22 5.00 -0.03 2.92 1.01 -0.05 -1.45 120.40 129.02 2ppf s VAL 244 Ca -0.05 1.13 0.02 0.00 0.00 0.00 0.00 61.98 63.09 2ppf s VAL 244 Cb -0.20 -3.88 0.01 0.00 0.00 0.00 0.00 36.38 32.31 2ppf s VAL 244 CO -0.02 0.40 -0.09 -2.28 0.00 0.00 0.00 175.10 173.12 2ppf s HIS 245 N -0.01 0.97 0.14 5.22 2.46 -0.22 -0.44 115.29 123.40 2ppf s HIS 245 Ca 0.29 -0.27 0.05 0.00 0.47 0.00 0.00 55.06 55.61 2ppf s HIS 245 Cb -0.17 -0.72 -0.04 0.00 -0.13 0.00 0.00 32.58 31.51 2ppf s HIS 245 CO 0.15 -0.14 -0.12 -1.54 -2.47 0.00 0.00 174.74 170.62 2ppf s SER 246 N 0.39 1.93 -0.26 9.88 1.04 -0.85 -0.52 113.70 125.30 2ppf s SER 246 Ca -0.06 -0.89 -0.01 0.00 0.48 0.00 0.00 55.95 55.46 2ppf s SER 246 Cb -0.11 -0.05 0.15 0.00 0.10 0.00 0.00 66.02 66.11 2ppf s SER 246 CO 0.01 -0.22 0.41 -1.58 0.98 0.00 0.00 173.24 172.84 2ppf s GLN 247 N -3.11 0.39 0.32 4.02 -0.44 -0.79 -1.47 119.66 118.58 2ppf s GLN 247 Ca 0.12 0.46 0.26 0.00 -2.50 0.00 0.00 55.36 53.70 2ppf s GLN 247 Cb -0.02 -0.32 0.83 0.00 -1.64 0.00 0.00 33.01 31.86 2ppf s GLN 247 CO 0.02 -0.76 1.76 0.00 0.50 0.00 0.00 175.29 176.81 2ppf h ALA 248 N 8.16 1.00 0.00 1.58 0.00 -1.81 0.20 119.26 128.39 2ppf h ALA 248 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2ppf h ALA 248 Cb 1.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.94 2ppf h ALA 248 CO 0.27 0.00 -0.54 -1.71 0.00 0.00 0.00 179.25 177.27 2ppf n ASN 249 N -2.56 2.70 -3.77 0.00 5.15 -1.26 -2.87 115.26 112.64 2ppf n ASN 249 Ca 0.04 0.00 -0.13 0.00 -0.60 0.00 0.00 54.58 53.89 2ppf n ASN 249 Cb 0.38 0.49 -0.10 0.00 -0.53 0.00 0.00 39.78 40.03 2ppf n ASN 249 CO 0.00 0.00 0.00 -0.60 1.40 0.00 0.00 177.26 178.06 2ppf s ARG 250 N -1.16 0.46 0.66 1.20 3.52 -1.26 -4.66 118.95 117.72 2ppf s ARG 250 Ca 0.00 0.18 -0.17 0.00 -0.13 0.00 0.00 55.73 55.60 2ppf s ARG 250 Cb 0.00 0.21 -0.01 0.00 -1.56 0.00 0.00 34.95 33.60 2ppf s ARG 250 CO 0.00 -0.09 1.19 -0.25 -0.81 0.00 0.00 175.30 175.34 2ppf n ASP 251 N 2.31 1.58 -4.05 -2.12 10.43 -1.26 -3.65 116.55 119.79 2ppf n ASP 251 Ca -0.16 0.79 -0.10 0.00 2.57 0.00 0.00 54.79 57.89 2ppf n ASP 251 Cb 0.57 -1.51 -0.08 0.00 1.84 0.00 0.00 41.12 41.94 2ppf n ASP 251 CO 0.00 0.00 0.00 0.28 -1.07 0.00 0.00 177.20 176.41 2ppf s THR 252 N -1.51 0.07 -0.41 -3.53 -1.32 -0.46 -4.84 115.64 103.64 2ppf s THR 252 Ca 0.80 -1.62 0.04 0.00 -1.21 0.00 0.00 61.69 59.70 2ppf s THR 252 Cb -0.38 -1.97 0.17 0.00 -1.51 0.00 0.00 72.50 68.81 2ppf s THR 252 CO 0.43 -0.33 0.36 0.00 -2.21 0.00 0.00 174.62 172.87 2ppf s ARG 253 N -4.01 0.90 0.52 7.08 1.70 -1.26 -1.37 118.95 122.51 2ppf s ARG 253 Ca 0.21 -2.02 -0.22 0.00 -0.47 0.00 0.00 55.73 53.23 2ppf s ARG 253 Cb 0.05 -1.33 -0.05 0.00 -0.57 0.00 0.00 34.95 33.04 2ppf s ARG 253 CO 0.02 -1.38 1.28 -2.14 -1.08 0.00 0.00 175.30 172.00 2ppf s PRO 254 N 0.14 3.32 -0.16 3.89 0.02 -1.10 -0.43 135.00 140.69 2ppf s PRO 254 Ca 0.32 2.05 -0.10 0.00 0.02 0.00 0.00 61.00 63.30 2ppf s PRO 254 Cb 0.03 -2.28 0.05 0.00 0.02 0.00 0.00 34.50 32.32 2ppf s PRO 254 CO -0.18 -0.99 0.39 -1.58 -0.33 0.00 0.00 177.00 174.30 2ppf s HIS 255 N -1.40 -0.54 -0.54 6.54 2.46 0.20 -1.81 115.29 120.20 2ppf s HIS 255 Ca 0.70 1.18 -0.18 0.00 0.47 0.00 0.00 55.06 57.23 2ppf s HIS 255 Cb -0.36 0.22 0.09 0.00 -0.13 0.00 0.00 32.58 32.40 2ppf s HIS 255 CO 0.42 -0.30 0.58 -1.17 -2.47 0.00 0.00 174.74 171.81 2ppf s LEU 256 N 1.12 5.53 -0.23 8.88 2.96 -1.26 -1.01 118.68 134.68 2ppf s LEU 256 Ca -0.07 -1.39 -0.29 0.00 -0.22 0.00 0.00 54.13 52.16 2ppf s LEU 256 Cb -0.07 -2.29 -0.02 0.00 0.50 0.00 0.00 46.19 44.30 2ppf s LEU 256 CO -0.09 -0.93 1.58 -0.63 -1.32 0.00 0.00 176.35 174.97 2ppf s ILE 257 N 2.23 3.74 0.00 6.68 1.01 0.19 -1.11 121.20 133.95 2ppf s ILE 257 Ca 0.09 0.83 0.00 0.00 0.00 0.00 0.00 60.65 61.57 2ppf s ILE 257 Cb -0.25 -3.75 0.00 0.00 0.01 0.00 0.00 42.46 38.47 2ppf s ILE 257 CO 0.07 -0.31 0.00 0.61 0.00 0.00 0.00 174.94 175.30 2ppf n GLY 258 N 4.63 1.15 0.00 6.18 0.00 -1.26 -3.23 105.19 112.66 2ppf n GLY 258 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 2ppf n GLY 258 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ppf n GLY 259 N -1.42 5.83 3.55 -0.02 0.00 -0.26 -5.00 105.19 107.86 2ppf n GLY 259 Ca 0.00 -1.58 -0.11 0.00 0.00 0.00 0.00 46.02 44.33 2ppf n GLY 259 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2ppf s HIS 260 N 0.74 0.64 -0.52 1.61 0.09 -1.26 -4.74 115.29 111.85 2ppf s HIS 260 Ca 0.00 -0.97 -0.16 0.00 -0.00 0.00 0.00 55.06 53.93 2ppf s HIS 260 Cb 0.00 0.11 0.11 0.00 -0.00 0.00 0.00 32.58 32.80 2ppf s HIS 260 CO 0.00 -1.08 0.46 0.20 -0.00 0.00 0.00 174.74 174.32 2ppf s GLY 261 N -3.11 2.08 0.13 -2.22 0.00 -0.09 -4.73 107.32 99.37 2ppf s GLY 261 Ca 0.26 -2.41 -0.17 0.00 0.00 0.00 0.00 44.72 42.40 2ppf s GLY 261 CO 0.13 1.15 1.70 -0.55 0.00 0.00 0.00 173.10 175.54 2ppf h ASP 262 N 8.83 0.45 -3.44 1.64 3.32 -1.22 0.89 116.42 126.89 2ppf h ASP 262 Ca -0.29 -0.12 -0.50 0.00 0.02 0.00 0.00 57.03 56.13 2ppf h ASP 262 Cb 1.10 -0.11 -0.33 0.00 0.22 0.00 0.00 39.33 40.20 2ppf h ASP 262 CO 0.98 0.44 -0.81 -0.31 -1.72 0.00 0.00 179.24 177.83 2ppf s TYR 263 N -5.71 1.36 -0.12 4.55 1.51 -0.94 -1.79 117.35 116.20 2ppf s TYR 263 Ca -0.13 -0.48 -0.01 0.00 -1.01 0.00 0.00 57.07 55.43 2ppf s TYR 263 Cb 0.09 -1.01 0.03 0.00 -0.11 0.00 0.00 41.96 40.97 2ppf s TYR 263 CO 0.73 -0.26 -0.04 0.08 -1.11 0.00 0.00 175.55 174.95 2ppf s VAL 264 N 0.67 0.84 -1.07 0.71 1.01 0.79 -0.23 120.40 123.11 2ppf s VAL 264 Ca -0.14 -0.28 -0.18 0.00 0.00 0.00 0.00 61.98 61.39 2ppf s VAL 264 Cb -0.15 -0.97 0.12 0.00 0.00 0.00 0.00 36.38 35.38 2ppf s VAL 264 CO 0.03 0.24 1.35 0.26 0.00 0.00 0.00 175.10 176.99 2ppf s TRP 265 N 1.77 3.10 0.33 5.22 0.51 0.05 -0.80 118.94 129.12 2ppf s TRP 265 Ca 0.04 -1.56 0.07 0.00 -2.12 0.00 0.00 56.10 52.53 2ppf s TRP 265 Cb -0.13 -4.42 0.57 0.00 -0.81 0.00 0.00 33.47 28.68 2ppf s TRP 265 CO -0.07 -1.57 1.79 0.00 -0.51 0.00 0.00 176.95 176.58 2ppf h ALA 266 N 8.33 1.26 -0.00 0.98 0.00 -1.90 -0.15 119.26 127.79 2ppf h ALA 266 Ca 0.25 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2ppf h ALA 266 Cb 0.96 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.65 2ppf h ALA 266 CO 1.24 0.50 -0.07 0.25 0.00 0.00 0.00 179.25 181.17 2ppf n THR 267 N -4.13 0.00 -0.99 0.00 -2.24 -1.26 -4.53 114.28 101.13 2ppf n THR 267 Ca -0.01 -0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 2ppf n THR 267 Cb 0.39 -0.39 0.00 0.00 -2.10 0.00 0.00 70.33 68.22 2ppf n THR 267 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2ppf n GLY 268 N 1.47 0.84 3.43 3.38 0.00 -0.12 -4.75 105.19 109.44 2ppf n GLY 268 Ca 0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.75 2ppf n GLY 268 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ppf s LYS 269 N -0.03 3.59 0.34 1.61 -0.14 -1.26 -0.25 119.74 123.60 2ppf s LYS 269 Ca 0.00 -0.53 0.26 0.00 -1.36 0.00 0.00 55.97 54.34 2ppf s LYS 269 Cb 0.00 -3.09 0.82 0.00 -1.68 0.00 0.00 37.83 33.88 2ppf s LYS 269 CO 0.00 -0.04 1.76 0.74 -0.76 0.00 0.00 175.35 177.05 2ppf h PHE 270 N 7.65 0.00 0.00 3.18 0.05 -1.81 -1.97 116.94 124.03 2ppf h PHE 270 Ca -0.37 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.42 2ppf h PHE 270 Cb 1.18 0.00 0.00 0.00 2.00 0.00 0.00 35.95 39.13 2ppf h PHE 270 CO 0.60 0.00 0.00 0.09 -0.18 0.00 0.00 178.31 178.82 2ppf n ASN 271 N -2.63 0.00 -4.61 2.17 3.02 -1.26 -4.60 115.26 107.36 2ppf n ASN 271 Ca 0.04 0.35 -0.39 0.00 -0.03 0.00 0.00 54.58 54.54 2ppf n ASN 271 Cb 0.39 -0.45 -0.09 0.00 -0.61 0.00 0.00 39.78 39.03 2ppf n ASN 271 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2ppf s THR 272 N -2.90 5.17 0.40 3.41 2.01 -0.74 -5.05 115.64 117.94 2ppf s THR 272 Ca 0.17 0.59 -0.25 0.00 0.31 0.00 0.00 61.69 62.51 2ppf s THR 272 Cb 0.19 -3.71 -0.11 0.00 0.01 0.00 0.00 72.50 68.89 2ppf s THR 272 CO 0.51 0.16 1.11 -2.65 -0.69 0.00 0.00 174.62 173.06 2ppf n PRO 273 N 5.27 1.57 -2.48 4.92 -0.02 -1.26 -4.84 135.00 138.15 2ppf n PRO 273 Ca -0.08 0.56 -0.37 0.00 -2.02 0.00 0.00 63.50 61.58 2ppf n PRO 273 Cb 0.51 -2.14 -0.04 0.00 -0.02 0.00 0.00 33.50 31.81 2ppf n PRO 273 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2ppf s PRO 274 N -2.01 4.20 0.76 0.52 0.04 -1.26 -4.92 135.00 132.33 2ppf s PRO 274 Ca 0.61 1.62 -0.12 0.00 0.04 0.00 0.00 61.00 63.15 2ppf s PRO 274 Cb -0.56 -2.66 0.06 0.00 0.04 0.00 0.00 34.50 31.38 2ppf s PRO 274 CO 0.58 -0.13 1.12 -0.51 0.04 0.00 0.00 177.00 178.10 2ppf s ASP 275 N -1.38 4.33 0.12 6.66 1.01 0.02 -4.75 116.67 122.68 2ppf s ASP 275 Ca 0.56 2.01 0.06 0.00 0.71 0.00 0.00 52.55 55.89 2ppf s ASP 275 Cb -0.25 -2.55 -0.04 0.00 1.01 0.00 0.00 42.92 41.09 2ppf s ASP 275 CO 0.32 -2.16 -0.15 0.68 0.21 0.00 0.00 175.17 174.07 2ppf s VAL 276 N -2.58 1.37 -1.45 -1.27 -7.23 -1.26 -0.15 120.40 107.83 2ppf s VAL 276 Ca 0.66 -1.69 -0.02 0.00 -1.81 0.00 0.00 61.98 59.11 2ppf s VAL 276 Cb -0.21 -1.52 0.00 0.00 0.56 0.00 0.00 36.38 35.22 2ppf s VAL 276 CO 0.51 -0.37 0.30 0.47 -0.31 0.00 0.00 175.10 175.70 2ppf n ASP 277 N 0.60 -5.45 -4.75 4.85 10.43 -0.74 -4.93 116.55 116.57 2ppf n ASP 277 Ca -0.16 -0.15 -0.40 0.00 2.57 0.00 0.00 54.79 56.65 2ppf n ASP 277 Cb 0.57 -4.38 -0.04 0.00 1.84 0.00 0.00 41.12 39.10 2ppf n ASP 277 CO 0.00 0.00 0.00 -1.10 -1.07 0.00 0.00 177.20 175.03 2ppf s GLN 278 N -5.27 4.61 -0.17 -1.24 -1.52 0.29 -4.83 119.66 111.53 2ppf s GLN 278 Ca 0.15 1.82 -0.22 0.00 -1.95 0.00 0.00 55.36 55.16 2ppf s GLN 278 Cb -0.07 -3.20 -0.22 0.00 -0.22 0.00 0.00 33.01 29.30 2ppf s GLN 278 CO 0.18 0.15 0.40 1.05 -0.25 0.00 0.00 175.29 176.81 2ppf h GLU 279 N 4.13 0.05 -3.15 2.91 4.11 -1.91 -0.21 114.58 120.51 2ppf h GLU 279 Ca -0.46 -0.09 -0.24 0.00 0.07 0.00 0.00 59.36 58.64 2ppf h GLU 279 Cb 1.21 0.03 -0.32 0.00 0.50 0.00 0.00 28.75 30.18 2ppf h GLU 279 CO 0.68 1.04 -0.57 0.99 0.07 0.00 0.00 179.01 181.22 2ppf s THR 280 N -2.36 -0.10 0.46 -1.06 2.01 -1.26 -4.33 115.64 109.01 2ppf s THR 280 Ca -0.25 0.20 0.06 0.00 0.31 0.00 0.00 61.69 62.02 2ppf s THR 280 Cb 0.04 -0.30 -0.01 0.00 0.01 0.00 0.00 72.50 72.24 2ppf s THR 280 CO 0.65 0.08 0.29 -1.66 -0.69 0.00 0.00 174.62 173.29 2ppf s TRP 281 N 1.43 2.28 -0.06 4.92 -2.14 -0.75 -4.98 118.94 119.64 2ppf s TRP 281 Ca -0.07 -0.67 0.01 0.00 2.66 0.00 0.00 56.10 58.04 2ppf s TRP 281 Cb -0.11 -1.98 0.02 0.00 -3.10 0.00 0.00 33.47 28.30 2ppf s TRP 281 CO -0.07 -0.09 -0.08 0.12 -2.66 0.00 0.00 176.95 174.17 2ppf s PHE 282 N -2.64 1.14 -0.20 1.66 5.36 -1.26 -2.70 117.98 119.34 2ppf s PHE 282 Ca 0.38 -0.41 0.01 0.00 -0.96 0.00 0.00 56.93 55.96 2ppf s PHE 282 Cb 0.00 -0.92 0.03 0.00 -0.34 0.00 0.00 43.02 41.80 2ppf s PHE 282 CO 0.22 -0.28 -0.16 0.42 -1.46 0.00 0.00 175.22 173.97 2ppf s ILE 283 N 0.98 1.95 0.56 3.12 1.01 -0.47 -4.72 121.20 123.63 2ppf s ILE 283 Ca -0.09 -1.07 -0.18 0.00 0.00 0.00 0.00 60.65 59.31 2ppf s ILE 283 Cb -0.15 -1.88 -0.05 0.00 0.01 0.00 0.00 42.46 40.40 2ppf s ILE 283 CO 0.00 0.34 1.07 -2.16 0.00 0.00 0.00 174.94 174.19 2ppf s PRO 284 N 1.29 3.39 0.19 2.79 0.04 -1.26 -1.35 135.00 140.09 2ppf s PRO 284 Ca 0.01 1.35 -0.33 0.00 0.04 0.00 0.00 61.00 62.07 2ppf s PRO 284 Cb -0.15 -2.03 -0.14 0.00 0.04 0.00 0.00 34.50 32.21 2ppf s PRO 284 CO -0.10 -0.77 1.42 0.41 0.04 0.00 0.00 177.00 178.00 2ppf n GLY 285 N -0.50 0.75 0.67 0.56 0.00 -1.24 -2.15 105.19 103.28 2ppf n GLY 285 Ca 0.10 0.57 0.00 0.00 0.00 0.00 0.00 46.02 46.69 2ppf n GLY 285 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ppf n GLY 286 N 2.55 0.80 3.22 -0.02 0.00 0.69 -4.73 105.19 107.70 2ppf n GLY 286 Ca 0.14 -0.30 -0.09 0.00 0.00 0.00 0.00 46.02 45.77 2ppf n GLY 286 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ppf s ALA 287 N -2.00 0.17 0.16 4.61 0.00 -0.92 -4.75 121.76 119.04 2ppf s ALA 287 Ca 0.00 -0.96 0.09 0.00 0.00 0.00 0.00 51.96 51.09 2ppf s ALA 287 Cb 0.00 0.65 -0.04 0.00 0.00 0.00 0.00 23.12 23.73 2ppf s ALA 287 CO 0.00 -0.53 -0.14 0.00 0.00 0.00 0.00 175.76 175.09 2ppf s ALA 288 N -3.94 2.81 0.31 0.00 0.00 -1.26 -1.89 121.76 117.79 2ppf s ALA 288 Ca 0.13 -1.46 0.03 0.00 0.00 0.00 0.00 51.96 50.66 2ppf s ALA 288 Cb 0.05 -0.65 -0.05 0.00 0.00 0.00 0.00 23.12 22.47 2ppf s ALA 288 CO -0.05 0.50 0.10 0.20 0.00 0.00 0.00 175.76 176.52 2ppf s GLY 289 N -2.60 2.04 -0.09 0.00 0.00 0.32 -3.31 107.32 103.69 2ppf s GLY 289 Ca 0.22 -1.79 -0.07 0.00 0.00 0.00 0.00 44.72 43.08 2ppf s GLY 289 CO 0.13 -1.70 0.22 0.00 0.00 0.00 0.00 173.10 171.76 2ppf s ALA 290 N -3.51 -0.54 -0.02 3.20 0.00 -0.91 -1.06 121.76 118.93 2ppf s ALA 290 Ca 0.35 0.69 0.06 0.00 0.00 0.00 0.00 51.96 53.06 2ppf s ALA 290 Cb 0.07 -0.41 -0.01 0.00 0.00 0.00 0.00 23.12 22.76 2ppf s ALA 290 CO 0.15 -0.12 -0.19 0.00 0.00 0.00 0.00 175.76 175.59 2ppf s ALA 291 N 0.34 1.62 -0.14 0.00 0.00 -0.53 -0.77 121.76 122.28 2ppf s ALA 291 Ca -0.02 -0.83 -0.01 0.00 0.00 0.00 0.00 51.96 51.10 2ppf s ALA 291 Cb -0.03 -0.42 -0.02 0.00 0.00 0.00 0.00 23.12 22.65 2ppf s ALA 291 CO -0.01 0.39 -0.11 0.12 0.00 0.00 0.00 175.76 176.15 2ppf s PHE 292 N -0.43 2.87 -0.01 0.00 2.19 0.68 -0.37 117.98 122.90 2ppf s PHE 292 Ca 0.07 -0.56 -0.01 0.00 0.33 0.00 0.00 56.93 56.75 2ppf s PHE 292 Cb -0.08 -1.88 0.01 0.00 -1.31 0.00 0.00 43.02 39.76 2ppf s PHE 292 CO -0.01 -0.17 0.03 -0.47 1.83 0.00 0.00 175.22 176.44 2ppf s TYR 293 N 0.38 -0.03 -0.31 10.12 5.04 -0.35 -0.73 117.35 131.47 2ppf s TYR 293 Ca -0.09 0.10 -0.11 0.00 -2.44 0.00 0.00 57.07 54.54 2ppf s TYR 293 Cb -0.15 -0.02 -0.02 0.00 0.35 0.00 0.00 41.96 42.12 2ppf s TYR 293 CO 0.05 -0.03 0.18 0.99 -1.34 0.00 0.00 175.55 175.40 2ppf s THR 294 N 0.16 4.93 0.26 4.34 2.01 -1.26 -0.53 115.64 125.56 2ppf s THR 294 Ca -0.01 -0.24 -0.30 0.00 0.31 0.00 0.00 61.69 61.45 2ppf s THR 294 Cb -0.02 -3.48 -0.10 0.00 0.01 0.00 0.00 72.50 68.92 2ppf s THR 294 CO -0.00 0.09 1.33 -0.36 -0.69 0.00 0.00 174.62 174.99 2ppf s PHE 295 N 1.67 3.14 0.00 4.92 0.40 -0.71 -4.89 117.98 122.53 2ppf s PHE 295 Ca 0.06 1.26 0.00 0.00 -0.60 0.00 0.00 56.93 57.65 2ppf s PHE 295 Cb -0.17 -3.67 0.00 0.00 0.51 0.00 0.00 43.02 39.69 2ppf s PHE 295 CO 0.08 -2.00 0.00 1.04 0.70 0.00 0.00 175.22 175.04 2ppf n GLN 296 N 1.86 4.23 -4.21 0.44 1.13 -1.26 -0.17 117.38 119.39 2ppf n GLN 296 Ca 0.04 0.00 -0.16 0.00 -1.94 0.00 0.00 57.00 54.93 2ppf n GLN 296 Cb 0.42 -0.68 -0.13 0.00 0.11 0.00 0.00 30.24 29.95 2ppf n GLN 296 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 2ppf s GLN 297 N -1.36 0.62 0.74 -1.09 -1.52 -1.26 -4.62 119.66 111.16 2ppf s GLN 297 Ca 0.00 -0.50 -0.10 0.00 -1.95 0.00 0.00 55.36 52.81 2ppf s GLN 297 Cb 0.00 -0.55 0.06 0.00 -0.22 0.00 0.00 33.01 32.30 2ppf s GLN 297 CO 0.00 0.14 1.09 -1.25 -0.25 0.00 0.00 175.29 175.01 2ppf s PRO 298 N -0.78 2.27 0.00 2.91 0.04 -1.26 -4.77 135.00 133.41 2ppf s PRO 298 Ca -0.01 0.04 0.00 0.00 0.04 0.00 0.00 61.00 61.07 2ppf s PRO 298 Cb -0.06 -2.06 0.00 0.00 0.04 0.00 0.00 34.50 32.42 2ppf s PRO 298 CO 0.00 -1.30 0.00 0.41 0.04 0.00 0.00 177.00 176.15 2ppf n GLY 299 N -3.07 0.30 3.73 0.56 0.00 0.43 -4.94 105.19 102.21 2ppf n GLY 299 Ca 0.07 -2.30 -0.39 0.00 0.00 0.00 0.00 46.02 43.40 2ppf n GLY 299 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2ppf s ILE 300 N 0.00 5.06 0.15 -0.61 -1.09 -1.26 -1.14 121.20 122.31 2ppf s ILE 300 Ca 0.00 1.20 0.08 0.00 -2.23 0.00 0.00 60.65 59.70 2ppf s ILE 300 Cb 0.00 -3.92 -0.04 0.00 -1.58 0.00 0.00 42.46 36.92 2ppf s ILE 300 CO 0.00 0.33 -0.08 -0.31 -1.23 0.00 0.00 174.94 173.65 2ppf s TYR 301 N 0.43 2.70 -0.10 3.97 1.51 -0.09 -4.98 117.35 120.78 2ppf s TYR 301 Ca 0.31 -0.19 -0.00 0.00 -1.01 0.00 0.00 57.07 56.19 2ppf s TYR 301 Cb -0.17 -1.36 -0.02 0.00 -0.11 0.00 0.00 41.96 40.30 2ppf s TYR 301 CO 0.15 0.48 -0.09 0.00 -1.11 0.00 0.00 175.55 174.98 2ppf s ALA 302 N -1.52 2.82 -0.20 3.71 0.00 -1.20 -1.29 121.76 124.09 2ppf s ALA 302 Ca 0.24 -0.89 -0.02 0.00 0.00 0.00 0.00 51.96 51.30 2ppf s ALA 302 Cb -0.10 -1.26 0.00 0.00 0.00 0.00 0.00 23.12 21.77 2ppf s ALA 302 CO 0.15 0.38 -0.12 -0.47 0.00 0.00 0.00 175.76 175.71 2ppf s TYR 303 N -0.16 2.87 0.09 0.00 5.04 0.54 0.57 117.35 126.29 2ppf s TYR 303 Ca 0.01 -1.22 -0.00 0.00 -2.44 0.00 0.00 57.07 53.42 2ppf s TYR 303 Cb -0.13 -2.01 -0.04 0.00 0.35 0.00 0.00 41.96 40.13 2ppf s TYR 303 CO 0.03 -0.64 -0.02 0.14 -1.34 0.00 0.00 175.55 173.72 2ppf s VAL 304 N 1.33 0.37 -0.21 3.14 -7.23 -0.18 -0.16 120.40 117.46 2ppf s VAL 304 Ca 0.04 -1.87 -0.29 0.00 -1.81 0.00 0.00 61.98 58.05 2ppf s VAL 304 Cb -0.14 -1.69 -0.00 0.00 0.56 0.00 0.00 36.38 35.11 2ppf s VAL 304 CO -0.07 -0.84 1.15 0.21 -0.31 0.00 0.00 175.10 175.25 2ppf s ASN 305 N -2.99 7.00 -0.08 4.85 3.84 -0.97 -0.63 114.94 125.95 2ppf s ASN 305 Ca 0.12 1.48 0.02 0.00 0.21 0.00 0.00 52.86 54.70 2ppf s ASN 305 Cb 0.07 -2.54 0.20 0.00 -0.55 0.00 0.00 41.25 38.43 2ppf s ASN 305 CO -0.06 -0.75 1.00 1.57 -2.79 0.00 0.00 177.10 176.08 2ppf n HIS 306 N 6.56 0.65 -2.76 0.43 -0.00 0.43 -3.92 115.22 116.60 2ppf n HIS 306 Ca 0.13 -0.47 -0.43 0.00 -0.00 0.00 0.00 57.72 56.95 2ppf n HIS 306 Cb 0.46 -0.30 -0.04 0.00 -0.00 0.00 0.00 29.99 30.11 2ppf n HIS 306 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.34 177.55 2ppf s ASN 307 N 0.06 6.35 0.53 0.26 3.84 -1.26 -4.92 114.94 119.81 2ppf s ASN 307 Ca 0.14 -0.27 0.35 0.00 0.21 0.00 0.00 52.86 53.29 2ppf s ASN 307 Cb 0.11 -2.47 1.59 0.00 -0.55 0.00 0.00 41.25 39.94 2ppf s ASN 307 CO 0.04 -1.32 2.03 -0.07 -2.79 0.00 0.00 177.10 174.98 2ppf h LEU 308 N 11.31 0.00 -0.17 3.21 3.38 -1.99 0.04 115.31 131.09 2ppf h LEU 308 Ca -0.26 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.62 2ppf h LEU 308 Cb 1.07 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.82 2ppf h LEU 308 CO 1.12 0.00 -0.24 0.40 0.09 0.00 0.00 178.44 179.81 2ppf h ILE 309 N 0.00 1.35 -0.70 1.22 2.04 -1.91 -0.00 117.51 119.51 2ppf h ILE 309 Ca 0.00 -1.45 -0.02 0.00 1.00 0.00 0.00 64.86 64.38 2ppf h ILE 309 Cb 0.32 1.89 -0.03 0.00 -0.74 0.00 0.00 36.82 38.26 2ppf h ILE 309 CO 0.00 0.44 0.34 -0.33 0.00 0.00 0.00 178.15 178.60 2ppf h GLU 310 N 0.11 0.98 0.03 2.37 5.08 -1.38 0.94 114.58 122.72 2ppf h GLU 310 Ca 0.02 -0.13 -0.00 0.00 -1.00 0.00 0.00 59.36 58.25 2ppf h GLU 310 Cb 0.81 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.88 2ppf h GLU 310 CO 0.06 0.75 -0.02 0.00 -1.00 0.00 0.00 179.01 178.80 2ppf h ALA 311 N 1.40 -0.05 0.00 3.43 0.00 -1.01 -1.20 119.26 121.83 2ppf h ALA 311 Ca 0.24 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2ppf h ALA 311 Cb 0.08 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2ppf h ALA 311 CO -0.03 -0.24 -0.93 1.19 0.00 0.00 0.00 179.25 179.24 2ppf n PHE 312 N -4.84 0.00 -0.10 0.00 3.01 -0.02 -2.08 117.46 113.43 2ppf n PHE 312 Ca -0.09 0.00 -0.13 0.00 1.01 0.00 0.00 57.45 58.24 2ppf n PHE 312 Cb 0.29 -0.09 -0.11 0.00 -0.01 0.00 0.00 39.48 39.56 2ppf n PHE 312 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 2ppf n GLU 313 N -1.51 0.73 -0.00 -1.08 -0.58 0.22 -4.78 120.64 113.63 2ppf n GLU 313 Ca 0.01 0.09 0.10 0.00 -0.42 0.00 0.00 57.16 56.94 2ppf n GLU 313 Cb 0.26 -1.43 -0.13 0.00 -0.57 0.00 0.00 31.44 29.57 2ppf n GLU 313 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 2ppf n LEU 314 N -3.00 0.65 0.00 -4.62 4.77 -0.57 -5.01 117.00 109.22 2ppf n LEU 314 Ca -0.35 -0.33 0.00 0.00 -0.03 0.00 0.00 56.01 55.29 2ppf n LEU 314 Cb 0.95 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.04 2ppf n LEU 314 CO 0.25 0.16 0.00 0.61 -1.33 0.00 0.00 177.39 177.09 2ppf n GLY 315 N 1.42 0.82 2.67 -0.72 0.00 -0.65 -1.14 105.19 107.59 2ppf n GLY 315 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 2ppf n GLY 315 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ppf n ALA 316 N 0.00 6.13 -3.75 4.61 0.00 0.09 -4.25 120.51 123.34 2ppf n ALA 316 Ca 0.00 -4.25 -0.15 0.00 0.00 0.00 0.00 53.44 49.04 2ppf n ALA 316 Cb 0.00 -2.79 -0.16 0.00 0.00 0.00 0.00 19.45 16.50 2ppf n ALA 316 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ppf s ALA 317 N -0.86 -0.04 0.40 0.00 0.00 -1.25 -2.29 121.76 117.73 2ppf s ALA 317 Ca 0.46 0.44 0.08 0.00 0.00 0.00 0.00 51.96 52.94 2ppf s ALA 317 Cb 0.14 -0.37 -0.07 0.00 0.00 0.00 0.00 23.12 22.82 2ppf s ALA 317 CO -0.05 -0.17 0.01 0.00 0.00 0.00 0.00 175.76 175.56 2ppf s ALA 318 N 1.23 3.18 0.11 0.00 0.00 0.78 -4.55 121.76 122.52 2ppf s ALA 318 Ca -0.08 -2.24 0.09 0.00 0.00 0.00 0.00 51.96 49.73 2ppf s ALA 318 Cb -0.12 0.06 -0.04 0.00 0.00 0.00 0.00 23.12 23.02 2ppf s ALA 318 CO -0.04 -0.09 -0.23 -1.01 0.00 0.00 0.00 175.76 174.40 2ppf s HIS 319 N -2.68 1.95 -0.06 0.00 3.76 0.01 -0.34 115.29 117.93 2ppf s HIS 319 Ca 0.35 -0.41 0.02 0.00 -0.15 0.00 0.00 55.06 54.87 2ppf s HIS 319 Cb 0.08 -1.06 -0.03 0.00 1.11 0.00 0.00 32.58 32.68 2ppf s HIS 319 CO 0.18 0.25 -0.10 -0.06 -0.85 0.00 0.00 174.74 174.16 2ppf s PHE 320 N -1.15 2.84 -0.22 1.40 0.08 -0.41 -1.13 117.98 119.39 2ppf s PHE 320 Ca 0.09 -0.07 -0.05 0.00 0.12 0.00 0.00 56.93 57.02 2ppf s PHE 320 Cb -0.10 -1.69 -0.02 0.00 -0.57 0.00 0.00 43.02 40.65 2ppf s PHE 320 CO 0.05 0.25 -0.01 0.15 -0.10 0.00 0.00 175.22 175.56 2ppf s LYS 321 N -0.72 3.50 -0.11 0.44 1.02 0.25 -0.91 119.74 123.20 2ppf s LYS 321 Ca 0.11 -0.57 0.03 0.00 0.02 0.00 0.00 55.97 55.57 2ppf s LYS 321 Cb -0.11 -3.10 0.00 0.00 -0.52 0.00 0.00 37.83 34.10 2ppf s LYS 321 CO 0.01 -0.15 -0.23 0.08 -0.92 0.00 0.00 175.35 174.14 2ppf s VAL 322 N 1.40 2.06 0.41 3.17 1.01 -0.29 -2.14 120.40 126.02 2ppf s VAL 322 Ca 0.05 -1.01 -0.01 0.00 0.00 0.00 0.00 61.98 61.02 2ppf s VAL 322 Cb -0.15 -1.79 -0.02 0.00 0.00 0.00 0.00 36.38 34.42 2ppf s VAL 322 CO -0.00 0.56 0.64 0.42 0.00 0.00 0.00 175.10 176.72 2ppf s THR 323 N 0.50 4.61 -2.76 3.92 -4.23 -0.71 -0.43 115.64 116.55 2ppf s THR 323 Ca -0.15 -0.36 0.00 0.00 -1.18 0.00 0.00 61.69 60.00 2ppf s THR 323 Cb -0.17 -3.71 0.00 0.00 1.34 0.00 0.00 72.50 69.96 2ppf s THR 323 CO 0.05 -0.52 0.00 0.61 -0.54 0.00 0.00 174.62 174.22 2ppf n GLY 324 N -2.00 0.65 3.79 3.99 0.00 -1.26 -0.83 105.19 109.54 2ppf n GLY 324 Ca -0.01 -2.09 -0.37 0.00 0.00 0.00 0.00 46.02 43.55 2ppf n GLY 324 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2ppf s GLU 325 N -1.10 4.01 0.33 1.61 2.12 -1.26 -4.66 118.70 119.75 2ppf s GLU 325 Ca 0.00 0.18 -0.28 0.00 0.36 0.00 0.00 54.97 55.22 2ppf s GLU 325 Cb 0.00 -3.32 -0.10 0.00 0.26 0.00 0.00 34.13 30.97 2ppf s GLU 325 CO 0.00 0.47 1.27 -0.46 -0.54 0.00 0.00 175.26 176.00 2ppf s TRP 326 N -0.28 3.11 -0.45 5.30 -0.11 -1.26 -4.45 118.94 120.80 2ppf s TRP 326 Ca 0.19 1.47 -0.06 0.00 1.22 0.00 0.00 56.10 58.92 2ppf s TRP 326 Cb -0.14 -3.60 0.12 0.00 -1.50 0.00 0.00 33.47 28.34 2ppf s TRP 326 CO 0.07 -1.65 0.28 1.21 -4.62 0.00 0.00 176.95 172.25 2ppf s ASN 327 N -0.60 5.46 0.49 5.86 3.84 -1.26 -4.96 114.94 123.78 2ppf s ASN 327 Ca 0.49 -2.03 0.31 0.00 0.21 0.00 0.00 52.86 51.85 2ppf s ASN 327 Cb -0.38 -1.91 1.25 0.00 -0.55 0.00 0.00 41.25 39.66 2ppf s ASN 327 CO 0.50 -0.60 1.92 0.44 -2.79 0.00 0.00 177.10 176.57 2ppf h ASP 328 N 8.17 0.00 -0.09 -4.21 3.45 -1.96 -2.53 116.42 119.26 2ppf h ASP 328 Ca -0.16 0.00 -0.01 0.00 0.43 0.00 0.00 57.03 57.29 2ppf h ASP 328 Cb 1.05 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 39.82 2ppf h ASP 328 CO 0.77 0.00 0.01 -0.78 -1.57 0.00 0.00 179.24 177.67 2ppf h ASP 329 N 0.00 0.15 -0.73 6.45 -0.00 -2.02 -3.18 116.42 117.08 2ppf h ASP 329 Ca 0.00 -0.29 -0.05 0.00 -0.00 0.00 0.00 57.03 56.69 2ppf h ASP 329 Cb 0.51 -0.04 -0.03 0.00 -0.00 0.00 0.00 39.33 39.77 2ppf h ASP 329 CO 0.00 0.40 0.25 -0.07 -0.00 0.00 0.00 179.24 179.82 2ppf h LEU 330 N -0.10 1.06 -7.00 2.28 3.38 -1.89 -3.45 115.31 109.59 2ppf h LEU 330 Ca 0.03 -0.19 0.02 0.00 0.09 0.00 0.00 57.88 57.83 2ppf h LEU 330 Cb 0.32 -0.28 -0.23 0.00 0.09 0.00 0.00 40.66 40.56 2ppf h LEU 330 CO 0.00 0.97 0.19 -0.32 0.09 0.00 0.00 178.44 179.38 2ppf s MET 331 N -5.43 0.66 -0.02 1.13 0.00 -1.04 -5.14 119.30 109.45 2ppf s MET 331 Ca -0.12 0.95 -0.11 0.00 0.00 0.00 0.00 55.69 56.40 2ppf s MET 331 Cb 0.15 0.23 0.02 0.00 0.00 0.00 0.00 34.83 35.23 2ppf s MET 331 CO 0.84 -0.11 0.25 -0.08 0.00 0.00 0.00 175.02 175.92 2ppf s THR 332 N 0.94 0.06 -0.58 10.11 -1.32 -1.25 -4.07 115.64 119.52 2ppf s THR 332 Ca -0.04 -0.46 -0.24 0.00 -1.21 0.00 0.00 61.69 59.73 2ppf s THR 332 Cb -0.05 -0.51 0.04 0.00 -1.51 0.00 0.00 72.50 70.47 2ppf s THR 332 CO -0.10 -0.25 0.98 -0.55 -2.21 0.00 0.00 174.62 172.49 2ppf s SER 333 N -1.09 6.31 0.11 8.08 0.15 -1.26 -4.89 113.70 121.11 2ppf s SER 333 Ca -0.12 -0.42 -0.13 0.00 0.70 0.00 0.00 55.95 55.99 2ppf s SER 333 Cb -0.05 -2.45 -0.10 0.00 -1.71 0.00 0.00 66.02 61.71 2ppf s SER 333 CO 0.03 -1.31 1.39 0.58 1.20 0.00 0.00 173.24 175.13 2ppf h VAL 334 N 6.02 1.29 -3.19 4.45 2.07 -2.02 -3.41 116.25 121.46 2ppf h VAL 334 Ca -0.27 -1.66 -0.46 0.00 0.82 0.00 0.00 66.70 65.13 2ppf h VAL 334 Cb 1.07 1.66 -0.40 0.00 -1.52 0.00 0.00 31.29 32.10 2ppf h VAL 334 CO 1.12 0.54 -0.75 -0.22 0.02 0.00 0.00 177.57 178.27 2ppf s LEU 335 N -8.76 0.58 0.65 2.57 2.96 -1.26 -5.14 118.68 110.27 2ppf s LEU 335 Ca -0.11 -0.47 -0.17 0.00 -0.22 0.00 0.00 54.13 53.16 2ppf s LEU 335 Cb 0.09 -0.36 -0.01 0.00 0.50 0.00 0.00 46.19 46.42 2ppf s LEU 335 CO 0.87 -0.29 1.21 0.00 -1.32 0.00 0.00 176.35 176.82 2ppf s ALA 336 N 2.04 2.39 -0.29 5.97 0.00 -1.26 -4.86 121.76 125.75 2ppf s ALA 336 Ca 0.02 0.97 -0.43 0.00 0.00 0.00 0.00 51.96 52.53 2ppf s ALA 336 Cb -0.15 -3.46 -0.18 0.00 0.00 0.00 0.00 23.12 19.32 2ppf s ALA 336 CO -0.07 -1.44 1.53 -2.30 0.00 0.00 0.00 175.76 173.47 2ppf n PRO 337 N -2.02 0.45 -3.60 0.00 -0.02 -1.26 -4.93 135.00 123.63 2ppf n PRO 337 Ca 0.14 0.17 -0.15 0.00 -2.02 0.00 0.00 63.50 61.63 2ppf n PRO 337 Cb 0.50 -1.73 -0.06 0.00 -0.02 0.00 0.00 33.50 32.18 2ppf n PRO 337 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2ppf s SER 338 N 2.40 -0.46 0.00 2.55 1.04 -1.26 -5.29 113.70 112.67 2ppf s SER 338 Ca 0.99 0.35 0.29 0.00 0.48 0.00 0.00 55.95 58.06 2ppf s SER 338 Cb -1.28 0.47 1.34 0.00 0.10 0.00 0.00 66.02 66.65 2ppf s SER 338 CO 0.69 -0.62 1.91 0.61 0.98 0.00 0.00 173.24 176.81