#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 3.11 0.26 0.00 -4.23 -1.26 -4.89 115.64 108.62 2ppf s THR 5 Ca 0.00 0.14 -0.03 0.00 -1.18 0.00 0.00 61.69 60.62 2ppf s THR 5 Cb 0.00 -3.32 0.26 0.00 1.34 0.00 0.00 72.50 70.78 2ppf s THR 5 CO 0.00 -0.38 1.87 0.00 -0.54 0.00 0.00 174.62 175.57 2ppf h ALA 6 N -0.56 1.34 -0.39 3.99 0.00 -2.05 -1.58 119.26 120.00 2ppf h ALA 6 Ca -0.45 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 2ppf h ALA 6 Cb 1.28 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 2ppf h ALA 6 CO 0.63 0.39 0.21 0.00 0.00 0.00 0.00 179.25 180.48 2ppf h ALA 7 N 1.44 0.51 -0.73 0.00 0.00 -1.99 -0.84 119.26 117.66 2ppf h ALA 7 Ca 0.42 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 55.20 2ppf h ALA 7 Cb 0.18 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 2ppf h ALA 7 CO -0.18 0.04 0.31 0.93 0.00 0.00 0.00 179.25 180.36 2ppf h GLU 8 N 0.50 1.08 -0.47 0.00 5.08 -1.82 -2.04 114.58 116.91 2ppf h GLU 8 Ca 0.14 -0.19 -0.09 0.00 -1.00 0.00 0.00 59.36 58.22 2ppf h GLU 8 Cb 0.08 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 2ppf h GLU 8 CO -0.02 0.88 -0.05 0.82 -1.00 0.00 0.00 179.01 179.64 2ppf h ILE 9 N 1.04 1.27 -0.01 3.13 2.04 -1.10 -2.59 117.51 121.28 2ppf h ILE 9 Ca 0.25 -1.14 0.00 0.00 1.00 0.00 0.00 64.86 64.97 2ppf h ILE 9 Cb 0.19 1.06 -0.00 0.00 -0.74 0.00 0.00 36.82 37.33 2ppf h ILE 9 CO -0.02 0.39 0.01 0.00 0.00 0.00 0.00 178.15 178.53 2ppf h ALA 10 N 0.90 1.87 0.00 1.87 0.00 -0.83 -2.01 119.26 121.06 2ppf h ALA 10 Ca 0.13 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2ppf h ALA 10 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2ppf h ALA 10 CO 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 179.25 179.27 2ppf n ALA 11 N -2.48 2.22 -1.77 0.00 0.00 -0.80 -4.90 120.51 112.79 2ppf n ALA 11 Ca -0.03 -0.03 -0.35 0.00 0.00 0.00 0.00 53.44 53.03 2ppf n ALA 11 Cb 0.10 -1.46 -0.00 0.00 0.00 0.00 0.00 19.45 18.09 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 -4.19 3.75 0.53 0.00 1.43 -0.76 -4.99 118.68 114.46 2ppf s LEU 12 Ca 0.11 2.14 -0.21 0.00 -1.03 0.00 0.00 54.13 55.13 2ppf s LEU 12 Cb 0.13 -4.58 -0.05 0.00 0.03 0.00 0.00 46.19 41.72 2ppf s LEU 12 CO 0.56 -1.17 1.25 -2.84 0.23 0.00 0.00 176.35 174.38 2ppf s PRO 13 N -3.30 3.30 -0.07 1.29 0.02 -1.26 -4.77 135.00 130.21 2ppf s PRO 13 Ca 0.72 1.96 -0.02 0.00 0.02 0.00 0.00 61.00 63.68 2ppf s PRO 13 Cb -0.23 -2.21 -0.04 0.00 0.02 0.00 0.00 34.50 32.05 2ppf s PRO 13 CO 0.26 -0.98 0.04 1.03 -0.33 0.00 0.00 177.00 177.02 2ppf s ARG 14 N -2.96 3.06 -0.10 5.54 3.00 -1.26 -1.14 118.95 125.08 2ppf s ARG 14 Ca 0.71 -0.39 -0.01 0.00 0.00 0.00 0.00 55.73 56.03 2ppf s ARG 14 Cb -0.33 -2.86 0.03 0.00 0.00 0.00 0.00 34.95 31.79 2ppf s ARG 14 CO 0.39 0.70 -0.01 -1.14 0.00 0.00 0.00 175.30 175.24 2ppf s GLN 15 N -1.13 0.81 -0.00 3.54 0.74 -0.54 -4.95 119.66 118.13 2ppf s GLN 15 Ca 0.16 -0.08 -0.27 0.00 0.05 0.00 0.00 55.36 55.22 2ppf s GLN 15 Cb -0.12 -1.33 -0.04 0.00 1.10 0.00 0.00 33.01 32.63 2ppf s GLN 15 CO 0.05 -0.36 0.86 0.21 -0.55 0.00 0.00 175.29 175.50 2ppf s LYS 16 N 1.89 4.53 -0.09 1.67 2.47 -1.26 -0.35 119.74 128.60 2ppf s LYS 16 Ca 0.04 1.21 0.02 0.00 -1.56 0.00 0.00 55.97 55.67 2ppf s LYS 16 Cb -0.13 -3.43 -0.02 0.00 -1.46 0.00 0.00 37.83 32.78 2ppf s LYS 16 CO -0.06 0.06 -0.14 0.08 0.16 0.00 0.00 175.35 175.45 2ppf s VAL 17 N 0.69 3.05 -0.27 4.02 1.01 -0.51 -4.93 120.40 123.46 2ppf s VAL 17 Ca 0.45 -0.70 -0.18 0.00 0.00 0.00 0.00 61.98 61.56 2ppf s VAL 17 Cb -0.20 -2.24 -0.03 0.00 0.00 0.00 0.00 36.38 33.92 2ppf s VAL 17 CO 0.24 0.56 0.50 -1.61 0.00 0.00 0.00 175.10 174.79 2ppf s GLU 18 N -0.20 4.00 0.56 2.72 8.01 -1.26 -4.67 118.70 127.87 2ppf s GLU 18 Ca 0.00 0.23 -0.17 0.00 0.01 0.00 0.00 54.97 55.04 2ppf s GLU 18 Cb -0.13 -3.67 -0.05 0.00 -4.31 0.00 0.00 34.13 25.96 2ppf s GLU 18 CO 0.03 -0.38 1.07 -0.51 0.01 0.00 0.00 175.26 175.47 2ppf s LEU 19 N 2.30 3.61 0.22 1.80 1.43 -1.26 -4.80 118.68 121.98 2ppf s LEU 19 Ca 0.20 1.91 0.10 0.00 -1.03 0.00 0.00 54.13 55.30 2ppf s LEU 19 Cb -0.16 -4.55 -0.05 0.00 0.03 0.00 0.00 46.19 41.47 2ppf s LEU 19 CO 0.10 -1.11 -0.18 0.68 0.23 0.00 0.00 176.35 176.07 2ppf s VAL 20 N -2.23 2.04 0.24 -1.59 -7.23 -1.26 -5.00 120.40 105.37 2ppf s VAL 20 Ca 0.66 -2.18 -0.30 0.00 -1.81 0.00 0.00 61.98 58.35 2ppf s VAL 20 Cb -0.17 -2.08 -0.09 0.00 0.56 0.00 0.00 36.38 34.60 2ppf s VAL 20 CO 0.31 -0.42 1.07 -1.81 -0.31 0.00 0.00 175.10 173.94 2ppf s ASP 21 N -3.16 7.35 0.63 4.85 -0.00 -1.26 -4.61 116.67 120.48 2ppf s ASP 21 Ca 0.23 2.14 -0.18 0.00 -0.00 0.00 0.00 52.55 54.74 2ppf s ASP 21 Cb -0.04 -2.62 -0.03 0.00 -0.00 0.00 0.00 42.92 40.23 2ppf s ASP 21 CO 0.10 -0.11 1.01 -2.65 -0.00 0.00 0.00 175.17 173.52 2ppf n PRO 22 N 1.65 0.85 -0.10 8.23 -0.02 -1.26 -1.91 135.00 142.44 2ppf n PRO 22 Ca -0.00 0.34 0.06 0.00 -2.02 0.00 0.00 63.50 61.88 2ppf n PRO 22 Cb 0.46 -2.23 0.21 0.00 -0.02 0.00 0.00 33.50 31.91 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 -1.32 1.53 -1.85 0.52 -0.04 -1.26 -5.04 135.00 127.54 2ppf n PRO 23 Ca 0.14 -0.82 -0.31 0.00 -0.04 0.00 0.00 63.50 62.48 2ppf n PRO 23 Cb 0.48 -1.24 0.03 0.00 -0.04 0.00 0.00 33.50 32.73 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 -1.74 3.43 -0.02 0.54 0.40 -0.80 -0.80 117.98 118.99 2ppf s PHE 24 Ca 0.21 1.17 0.04 0.00 -0.60 0.00 0.00 56.93 57.75 2ppf s PHE 24 Cb 0.11 -2.91 -0.01 0.00 0.51 0.00 0.00 43.02 40.72 2ppf s PHE 24 CO 0.15 -0.99 -0.14 0.08 0.70 0.00 0.00 175.22 175.02 2ppf s VAL 25 N -3.26 1.16 0.75 -0.44 1.01 -1.26 -4.63 120.40 113.73 2ppf s VAL 25 Ca 0.57 -0.60 -0.15 0.00 0.00 0.00 0.00 61.98 61.80 2ppf s VAL 25 Cb -0.11 -0.98 0.04 0.00 0.00 0.00 0.00 36.38 35.32 2ppf s VAL 25 CO 0.53 0.33 1.17 0.00 0.00 0.00 0.00 175.10 177.13 2ppf n HIS 26 N 2.93 1.30 -1.64 5.22 1.44 -1.26 -4.90 115.22 118.30 2ppf n HIS 26 Ca -0.16 0.41 -0.45 0.00 -2.01 0.00 0.00 57.72 55.50 2ppf n HIS 26 Cb 0.54 -2.14 -0.02 0.00 0.12 0.00 0.00 29.99 28.48 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 -2.74 0.51 -3.76 1.59 0.00 -1.26 -4.98 120.51 109.87 2ppf n ALA 27 Ca 0.14 0.41 -0.08 0.00 0.00 0.00 0.00 53.44 53.92 2ppf n ALA 27 Cb 0.50 -2.18 -0.02 0.00 0.00 0.00 0.00 19.45 17.75 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 -0.41 -0.25 -0.10 0.00 -3.43 -1.26 -5.05 115.29 104.78 2ppf s HIS 28 Ca 0.66 -0.13 0.01 0.00 -0.80 0.00 0.00 55.06 54.79 2ppf s HIS 28 Cb -0.69 0.67 -0.02 0.00 -1.43 0.00 0.00 32.58 31.11 2ppf s HIS 28 CO 0.54 -1.10 -0.12 -1.54 -2.00 0.00 0.00 174.74 170.52 2ppf s SER 29 N -2.88 4.15 0.04 7.38 1.04 -1.26 -5.04 113.70 117.14 2ppf s SER 29 Ca 0.09 -0.24 -0.25 0.00 0.48 0.00 0.00 55.95 56.04 2ppf s SER 29 Cb -0.04 -1.34 -0.17 0.00 0.10 0.00 0.00 66.02 64.56 2ppf s SER 29 CO 0.02 0.24 1.52 1.56 0.98 0.00 0.00 173.24 177.57 2ppf h GLN 30 N 6.13 -0.05 -6.22 4.02 4.20 -1.97 -3.40 115.11 117.82 2ppf h GLN 30 Ca -0.35 0.00 -0.56 0.00 0.06 0.00 0.00 58.65 57.81 2ppf h GLN 30 Cb 1.19 0.01 -0.04 0.00 0.30 0.00 0.00 27.48 28.93 2ppf h GLN 30 CO 0.54 0.17 0.07 0.08 -0.67 0.00 0.00 178.83 179.02 2ppf s VAL 31 N -5.33 4.77 0.38 -0.54 1.01 -1.26 -3.58 120.40 115.85 2ppf s VAL 31 Ca -0.14 1.44 -0.28 0.00 0.00 0.00 0.00 61.98 63.00 2ppf s VAL 31 Cb 0.04 -4.02 -0.11 0.00 0.00 0.00 0.00 36.38 32.29 2ppf s VAL 31 CO 0.66 0.42 1.42 0.00 0.00 0.00 0.00 175.10 177.60 2ppf n ALA 32 N 2.57 2.01 -2.77 5.51 0.00 0.56 -4.95 120.51 123.45 2ppf n ALA 32 Ca -0.05 0.33 -0.43 0.00 0.00 0.00 0.00 53.44 53.29 2ppf n ALA 32 Cb 0.50 -2.37 -0.09 0.00 0.00 0.00 0.00 19.45 17.50 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 -2.10 2.92 0.99 0.00 2.02 -1.26 -4.99 118.70 116.27 2ppf s GLU 33 Ca 0.55 -1.22 0.00 0.00 0.02 0.00 0.00 54.97 54.32 2ppf s GLU 33 Cb -0.50 -4.00 0.00 0.00 0.10 0.00 0.00 34.13 29.74 2ppf s GLU 33 CO 0.62 -0.89 0.00 0.41 0.02 0.00 0.00 175.26 175.42 2ppf n GLY 34 N 5.13 -1.93 2.62 -1.39 0.00 -1.26 -4.96 105.19 103.41 2ppf n GLY 34 Ca -0.12 -1.53 -0.20 0.00 0.00 0.00 0.00 46.02 44.18 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 -1.25 3.62 -0.02 0.00 -1.26 -5.00 105.19 101.28 2ppf n GLY 35 Ca 0.00 -1.72 -0.42 0.00 0.00 0.00 0.00 46.02 43.88 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 -2.87 1.45 -4.31 1.61 -0.02 -1.26 -5.03 135.00 124.57 2ppf n PRO 36 Ca 0.11 0.52 -0.16 0.00 -2.02 0.00 0.00 63.50 61.95 2ppf n PRO 36 Cb 0.39 -2.06 -0.10 0.00 -0.02 0.00 0.00 33.50 31.71 2ppf n PRO 36 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 2ppf s LYS 37 N -1.96 1.28 -0.43 -0.52 -2.85 -1.26 -4.48 119.74 109.52 2ppf s LYS 37 Ca 0.62 -1.64 -0.18 0.00 -1.00 0.00 0.00 55.97 53.77 2ppf s LYS 37 Cb -0.57 -0.58 0.03 0.00 -2.06 0.00 0.00 37.83 34.65 2ppf s LYS 37 CO 0.58 -0.08 0.48 0.08 0.10 0.00 0.00 175.35 176.51 2ppf s VAL 38 N -3.44 5.03 -0.25 1.79 1.01 -0.29 -1.15 120.40 123.10 2ppf s VAL 38 Ca 0.27 -0.31 -0.13 0.00 0.00 0.00 0.00 61.98 61.80 2ppf s VAL 38 Cb 0.05 -4.09 -0.04 0.00 0.00 0.00 0.00 36.38 32.30 2ppf s VAL 38 CO 0.07 -0.49 0.29 -0.69 0.00 0.00 0.00 175.10 174.29 2ppf s VAL 39 N 2.27 5.25 -0.21 2.92 1.01 0.45 -1.46 120.40 130.63 2ppf s VAL 39 Ca 0.14 0.43 -0.08 0.00 0.00 0.00 0.00 61.98 62.46 2ppf s VAL 39 Cb -0.17 -3.63 -0.04 0.00 0.00 0.00 0.00 36.38 32.54 2ppf s VAL 39 CO 0.14 0.24 0.09 -1.61 0.00 0.00 0.00 175.10 173.96 2ppf s GLU 40 N 1.64 3.96 0.12 2.72 2.02 0.53 -0.75 118.70 128.94 2ppf s GLU 40 Ca 0.12 -0.34 0.08 0.00 0.02 0.00 0.00 54.97 54.85 2ppf s GLU 40 Cb -0.15 -3.32 -0.04 0.00 0.10 0.00 0.00 34.13 30.72 2ppf s GLU 40 CO 0.09 0.15 -0.18 -0.06 0.02 0.00 0.00 175.26 175.28 2ppf s PHE 41 N 0.72 1.68 -0.05 1.61 0.40 -0.27 -1.42 117.98 120.67 2ppf s PHE 41 Ca 0.05 -0.46 0.02 0.00 -0.60 0.00 0.00 56.93 55.94 2ppf s PHE 41 Cb -0.13 -0.89 0.01 0.00 0.51 0.00 0.00 43.02 42.52 2ppf s PHE 41 CO 0.02 0.23 -0.10 0.99 0.70 0.00 0.00 175.22 177.06 2ppf s THR 42 N -1.64 0.90 -0.02 0.64 2.01 -1.26 -0.58 115.64 115.68 2ppf s THR 42 Ca 0.09 -0.37 0.02 0.00 0.31 0.00 0.00 61.69 61.73 2ppf s THR 42 Cb -0.08 -0.83 0.00 0.00 0.01 0.00 0.00 72.50 71.61 2ppf s THR 42 CO 0.05 0.29 -0.06 -0.04 -0.69 0.00 0.00 174.62 174.17 2ppf s MET 43 N 0.52 0.62 -0.19 4.92 -1.94 -0.38 -4.92 119.30 117.93 2ppf s MET 43 Ca -0.09 -0.18 -0.08 0.00 -1.71 0.00 0.00 55.69 53.62 2ppf s MET 43 Cb -0.13 -0.62 -0.04 0.00 2.01 0.00 0.00 34.83 36.05 2ppf s MET 43 CO 0.02 0.06 0.08 0.08 -0.01 0.00 0.00 175.02 175.25 2ppf s VAL 44 N 0.23 4.86 -0.02 -6.03 1.01 -1.26 -1.25 120.40 117.95 2ppf s VAL 44 Ca -0.03 -0.00 -0.28 0.00 0.00 0.00 0.00 61.98 61.67 2ppf s VAL 44 Cb -0.07 -3.21 -0.03 0.00 0.00 0.00 0.00 36.38 33.07 2ppf s VAL 44 CO -0.00 0.44 0.91 -0.63 0.00 0.00 0.00 175.10 175.82 2ppf s ILE 45 N 0.52 4.91 -0.18 2.22 1.01 -0.29 -0.72 121.20 128.67 2ppf s ILE 45 Ca 0.04 1.91 0.01 0.00 0.00 0.00 0.00 60.65 62.61 2ppf s ILE 45 Cb -0.13 -4.25 0.03 0.00 0.01 0.00 0.00 42.46 38.12 2ppf s ILE 45 CO 0.01 0.18 -0.16 -1.61 0.00 0.00 0.00 174.94 173.36 2ppf s GLU 46 N 0.98 2.54 -0.30 2.79 0.41 0.10 -4.35 118.70 120.88 2ppf s GLU 46 Ca 0.48 -0.82 -0.29 0.00 -0.41 0.00 0.00 54.97 53.94 2ppf s GLU 46 Cb -0.20 -2.45 0.01 0.00 -1.78 0.00 0.00 34.13 29.71 2ppf s GLU 46 CO 0.25 -0.30 1.09 -1.21 -0.49 0.00 0.00 175.26 174.60 2ppf s GLU 47 N 1.34 4.09 -0.06 1.61 2.02 -1.26 -1.17 118.70 125.27 2ppf s GLU 47 Ca 0.02 1.14 -0.17 0.00 0.02 0.00 0.00 54.97 55.98 2ppf s GLU 47 Cb -0.14 -3.73 0.03 0.00 0.10 0.00 0.00 34.13 30.39 2ppf s GLU 47 CO -0.11 -0.87 0.39 -1.59 0.02 0.00 0.00 175.26 173.10 2ppf s LYS 48 N 3.62 0.66 0.02 1.61 -2.85 -0.56 -4.99 119.74 117.26 2ppf s LYS 48 Ca 0.46 0.10 -0.30 0.00 -1.00 0.00 0.00 55.97 55.22 2ppf s LYS 48 Cb -0.13 0.30 -0.05 0.00 -2.06 0.00 0.00 37.83 35.90 2ppf s LYS 48 CO 0.14 -0.16 1.18 0.15 0.10 0.00 0.00 175.35 176.76 2ppf s LYS 49 N -0.84 4.42 0.17 1.78 1.02 -1.26 -0.09 119.74 124.93 2ppf s LYS 49 Ca -0.09 1.70 0.09 0.00 0.02 0.00 0.00 55.97 57.69 2ppf s LYS 49 Cb -0.04 -3.42 -0.04 0.00 -0.52 0.00 0.00 37.83 33.81 2ppf s LYS 49 CO 0.04 -0.29 -0.18 0.96 -0.92 0.00 0.00 175.35 174.96 2ppf s ILE 50 N 1.38 1.83 -0.16 2.17 -4.36 -0.08 -4.92 121.20 117.06 2ppf s ILE 50 Ca 0.57 -1.93 -0.07 0.00 -0.26 0.00 0.00 60.65 58.96 2ppf s ILE 50 Cb -0.27 -1.86 -0.04 0.00 1.25 0.00 0.00 42.46 41.54 2ppf s ILE 50 CO 0.27 -0.32 0.06 -0.69 0.24 0.00 0.00 174.94 174.50 2ppf s VAL 51 N -2.08 4.78 -0.89 8.37 1.01 -1.26 -0.92 120.40 129.42 2ppf s VAL 51 Ca 0.16 -0.04 0.08 0.00 0.00 0.00 0.00 61.98 62.18 2ppf s VAL 51 Cb -0.06 -3.13 0.03 0.00 0.00 0.00 0.00 36.38 33.22 2ppf s VAL 51 CO 0.07 0.49 0.66 2.30 0.00 0.00 0.00 175.10 178.62 2ppf n ILE 52 N 3.23 0.00 -3.94 2.22 -5.35 0.01 -4.78 119.36 110.75 2ppf n ILE 52 Ca -0.17 -0.46 -0.10 0.00 -0.27 0.00 0.00 62.75 61.75 2ppf n ILE 52 Cb 0.53 1.14 -0.02 0.00 -1.74 0.00 0.00 39.64 39.54 2ppf n ILE 52 CO 0.00 0.00 0.00 1.51 -1.76 0.00 0.00 176.55 176.30 2ppf s ASP 53 N -0.93 0.11 0.46 7.28 3.84 -1.26 -0.83 116.67 125.33 2ppf s ASP 53 Ca 0.08 -1.03 0.30 0.00 -0.00 0.00 0.00 52.55 51.90 2ppf s ASP 53 Cb 0.07 0.70 1.15 0.00 -1.38 0.00 0.00 42.92 43.45 2ppf s ASP 53 CO 0.15 -1.35 1.87 0.44 -0.00 0.00 0.00 175.17 176.29 2ppf h ASP 54 N 2.11 0.00 1.25 2.11 5.19 -1.96 -2.19 116.42 122.93 2ppf h ASP 54 Ca -0.27 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.14 2ppf h ASP 54 Cb 1.25 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.76 2ppf h ASP 54 CO 0.35 0.00 0.00 0.00 -3.12 0.00 0.00 179.24 176.47 2ppf h ALA 55 N 2.09 1.00 0.00 3.45 0.00 -2.01 -3.47 119.26 120.32 2ppf h ALA 55 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2ppf h ALA 55 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.33 2ppf h ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 2ppf n GLY 56 N 0.46 0.89 3.70 0.00 0.00 -0.82 -5.05 105.19 104.37 2ppf n GLY 56 Ca 0.02 -0.16 -0.43 0.00 0.00 0.00 0.00 46.02 45.45 2ppf n GLY 56 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2ppf n THR 57 N -2.19 0.01 -4.02 2.61 -1.04 -1.26 -4.83 114.28 103.56 2ppf n THR 57 Ca 0.00 -0.00 -0.35 0.00 -2.04 0.00 0.00 64.05 61.65 2ppf n THR 57 Cb 0.00 -1.86 -0.07 0.00 -1.82 0.00 0.00 70.33 66.58 2ppf n THR 57 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 2ppf s GLU 58 N 1.15 3.28 -0.02 -2.82 2.02 -1.26 -0.81 118.70 120.24 2ppf s GLU 58 Ca 0.76 -0.28 0.05 0.00 0.02 0.00 0.00 54.97 55.53 2ppf s GLU 58 Cb -0.56 -3.04 -0.01 0.00 0.10 0.00 0.00 34.13 30.63 2ppf s GLU 58 CO 0.34 0.72 -0.18 0.08 0.02 0.00 0.00 175.26 176.25 2ppf s VAL 59 N -1.08 1.42 -0.91 2.63 1.01 -0.09 -4.93 120.40 118.45 2ppf s VAL 59 Ca 0.18 -0.76 -0.24 0.00 0.00 0.00 0.00 61.98 61.16 2ppf s VAL 59 Cb -0.12 -1.19 0.05 0.00 0.00 0.00 0.00 36.38 35.13 2ppf s VAL 59 CO 0.08 0.40 1.34 -1.00 0.00 0.00 0.00 175.10 175.92 2ppf s HIS 60 N -0.35 2.53 0.53 5.22 3.76 -1.26 -0.90 115.29 124.82 2ppf s HIS 60 Ca 0.05 -0.66 -0.16 0.00 -0.15 0.00 0.00 55.06 54.15 2ppf s HIS 60 Cb -0.08 -4.61 -0.07 0.00 1.11 0.00 0.00 32.58 28.93 2ppf s HIS 60 CO -0.00 -1.92 1.00 0.00 -0.85 0.00 0.00 174.74 172.97 2ppf s ALA 61 N 4.91 3.02 -0.30 -1.40 0.00 0.86 -4.86 121.76 123.98 2ppf s ALA 61 Ca 0.40 0.20 0.03 0.00 0.00 0.00 0.00 51.96 52.59 2ppf s ALA 61 Cb -0.04 -3.13 0.09 0.00 0.00 0.00 0.00 23.12 20.03 2ppf s ALA 61 CO -0.02 -0.35 0.01 -1.64 0.00 0.00 0.00 175.76 173.76 2ppf s MET 62 N -4.13 1.55 -0.21 0.00 -1.94 -0.51 -1.49 119.30 112.56 2ppf s MET 62 Ca 0.59 -1.54 0.01 0.00 -1.71 0.00 0.00 55.69 53.05 2ppf s MET 62 Cb -0.11 -2.89 0.04 0.00 2.01 0.00 0.00 34.83 33.88 2ppf s MET 62 CO 0.33 -0.82 -0.12 0.00 -0.01 0.00 0.00 175.02 174.40 2ppf s ALA 63 N 1.11 2.17 0.09 3.03 0.00 -0.32 -2.19 121.76 125.65 2ppf s ALA 63 Ca 0.04 -1.32 -0.31 0.00 0.00 0.00 0.00 51.96 50.38 2ppf s ALA 63 Cb -0.19 -1.32 -0.11 0.00 0.00 0.00 0.00 23.12 21.50 2ppf s ALA 63 CO -0.09 -0.80 1.85 1.19 0.00 0.00 0.00 175.76 177.91 2ppf n PHE 64 N 4.62 2.57 -1.46 0.00 3.72 -1.26 -0.72 117.46 124.94 2ppf n PHE 64 Ca -0.16 -0.16 -0.16 0.00 -0.05 0.00 0.00 57.45 56.93 2ppf n PHE 64 Cb 0.46 -2.73 -0.07 0.00 -0.94 0.00 0.00 39.48 36.20 2ppf n PHE 64 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 2ppf n ASN 65 N 5.94 -5.34 0.00 4.37 5.15 0.10 -2.43 115.26 123.05 2ppf n ASN 65 Ca 0.19 0.39 0.00 0.00 -0.60 0.00 0.00 54.58 54.56 2ppf n ASN 65 Cb 0.37 -4.23 0.00 0.00 -0.53 0.00 0.00 39.78 35.39 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 -0.46 0.65 3.35 8.20 0.00 -0.99 -4.97 105.19 110.97 2ppf n GLY 66 Ca -0.16 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.68 1.98 -0.23 2.61 -4.23 -1.02 -4.97 115.64 107.10 2ppf s THR 67 Ca 0.00 -1.81 0.02 0.00 -1.18 0.00 0.00 61.69 58.72 2ppf s THR 67 Cb 0.00 -1.85 0.04 0.00 1.34 0.00 0.00 72.50 72.04 2ppf s THR 67 CO 0.00 -0.13 -0.14 -0.69 -0.54 0.00 0.00 174.62 173.12 2ppf s VAL 68 N -1.55 2.04 0.93 2.29 1.01 -1.26 -2.98 120.40 120.88 2ppf s VAL 68 Ca 0.14 -1.32 -0.12 0.00 0.00 0.00 0.00 61.98 60.68 2ppf s VAL 68 Cb -0.08 -2.05 0.15 0.00 0.00 0.00 0.00 36.38 34.40 2ppf s VAL 68 CO 0.07 0.18 1.12 -2.16 0.00 0.00 0.00 175.10 174.31 2ppf s PRO 69 N 1.21 0.96 0.91 2.72 0.04 -1.26 -2.31 135.00 137.27 2ppf s PRO 69 Ca -0.03 0.37 -0.10 0.00 0.04 0.00 0.00 61.00 61.27 2ppf s PRO 69 Cb -0.17 -1.81 0.14 0.00 0.04 0.00 0.00 34.50 32.70 2ppf s PRO 69 CO -0.08 -2.34 1.12 0.20 0.04 0.00 0.00 177.00 175.95 2ppf s GLY 70 N -3.85 1.67 0.73 0.56 0.00 0.45 -4.75 107.32 102.13 2ppf s GLY 70 Ca 0.64 0.45 -0.12 0.00 0.00 0.00 0.00 44.72 45.69 2ppf s GLY 70 CO 0.55 0.88 1.09 2.56 0.00 0.00 0.00 173.10 178.18 2ppf s PRO 71 N -4.69 2.53 -0.14 2.90 0.04 -1.26 -4.41 135.00 129.95 2ppf s PRO 71 Ca 0.66 1.20 -0.27 0.00 0.04 0.00 0.00 61.00 62.63 2ppf s PRO 71 Cb -0.22 -1.93 -0.01 0.00 0.04 0.00 0.00 34.50 32.38 2ppf s PRO 71 CO 0.58 -1.44 0.89 -1.17 0.04 0.00 0.00 177.00 175.90 2ppf s LEU 72 N -5.53 4.21 -0.12 -3.56 2.96 -1.26 -4.32 118.68 111.05 2ppf s LEU 72 Ca 0.62 1.30 -0.12 0.00 -0.22 0.00 0.00 54.13 55.71 2ppf s LEU 72 Cb -0.18 -3.34 -0.05 0.00 0.50 0.00 0.00 46.19 43.12 2ppf s LEU 72 CO 0.51 -0.41 0.27 -0.04 -1.32 0.00 0.00 176.35 175.37 2ppf s MET 73 N 2.05 4.01 -0.13 1.98 -1.94 -1.15 -4.56 119.30 119.56 2ppf s MET 73 Ca 0.42 0.09 0.02 0.00 -1.71 0.00 0.00 55.69 54.51 2ppf s MET 73 Cb -0.17 -3.33 0.01 0.00 2.01 0.00 0.00 34.83 33.35 2ppf s MET 73 CO 0.14 0.45 -0.21 0.08 -0.01 0.00 0.00 175.02 175.48 2ppf s VAL 74 N -0.18 1.93 0.33 -6.03 1.01 -1.26 -0.48 120.40 115.72 2ppf s VAL 74 Ca 0.17 -0.90 0.04 0.00 0.00 0.00 0.00 61.98 61.28 2ppf s VAL 74 Cb -0.13 -1.72 -0.03 0.00 0.00 0.00 0.00 36.38 34.50 2ppf s VAL 74 CO 0.05 0.53 0.16 0.68 0.00 0.00 0.00 175.10 176.52 2ppf s VAL 75 N 0.84 0.38 0.23 2.92 -7.23 -0.47 -5.00 120.40 112.06 2ppf s VAL 75 Ca -0.07 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.17 2ppf s VAL 75 Cb -0.15 -2.48 -0.04 0.00 0.56 0.00 0.00 36.38 34.27 2ppf s VAL 75 CO -0.01 0.00 0.11 -1.00 -0.31 0.00 0.00 175.10 173.89 2ppf s HIS 76 N -3.48 2.99 0.17 2.82 3.76 -1.26 -0.87 115.29 119.42 2ppf s HIS 76 Ca 0.33 -0.12 -0.33 0.00 -0.15 0.00 0.00 55.06 54.79 2ppf s HIS 76 Cb 0.04 -1.37 -0.15 0.00 1.11 0.00 0.00 32.58 32.21 2ppf s HIS 76 CO 0.18 0.54 1.34 0.94 -0.85 0.00 0.00 174.74 176.89 2ppf n GLN 77 N -0.81 1.58 -0.89 1.40 7.27 0.31 -1.31 117.38 124.94 2ppf n GLN 77 Ca -0.08 0.56 0.00 0.00 0.07 0.00 0.00 57.00 57.56 2ppf n GLN 77 Cb 0.57 -2.19 0.00 0.00 2.41 0.00 0.00 30.24 31.04 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 2.41 -1.32 -4.67 1.69 10.43 0.87 -4.73 116.55 121.22 2ppf n ASP 78 Ca 0.15 0.00 -0.29 0.00 2.57 0.00 0.00 54.79 57.22 2ppf n ASP 78 Cb 0.26 -1.06 0.16 0.00 1.84 0.00 0.00 41.12 42.32 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 -2.45 2.91 -0.12 -2.24 -0.00 -0.42 -4.69 116.67 109.66 2ppf s ASP 79 Ca 0.00 1.50 -0.03 0.00 -0.00 0.00 0.00 52.55 54.02 2ppf s ASP 79 Cb 0.00 -2.17 -0.03 0.00 -0.00 0.00 0.00 42.92 40.72 2ppf s ASP 79 CO 0.00 -2.99 -0.01 -0.31 -0.00 0.00 0.00 175.17 171.86 2ppf s TYR 80 N -2.85 3.10 -0.25 4.23 1.51 -0.30 -1.20 117.35 121.59 2ppf s TYR 80 Ca 0.65 -0.03 -0.13 0.00 -1.01 0.00 0.00 57.07 56.55 2ppf s TYR 80 Cb -0.19 -1.89 -0.05 0.00 -0.11 0.00 0.00 41.96 39.72 2ppf s TYR 80 CO 0.58 0.21 0.26 -1.17 -1.11 0.00 0.00 175.55 174.32 2ppf s LEU 81 N -0.21 4.07 -0.29 -1.29 0.20 0.40 -0.41 118.68 121.15 2ppf s LEU 81 Ca 0.05 0.18 0.02 0.00 0.69 0.00 0.00 54.13 55.07 2ppf s LEU 81 Cb -0.13 -2.25 0.07 0.00 -0.43 0.00 0.00 46.19 43.45 2ppf s LEU 81 CO 0.02 -0.05 -0.04 -0.70 -0.29 0.00 0.00 176.35 175.29 2ppf s GLU 82 N 1.56 2.13 -0.19 1.98 2.12 0.07 -1.40 118.70 124.98 2ppf s GLU 82 Ca 0.11 -1.45 -0.06 0.00 0.36 0.00 0.00 54.97 53.93 2ppf s GLU 82 Cb -0.15 -3.04 -0.03 0.00 0.26 0.00 0.00 34.13 31.16 2ppf s GLU 82 CO 0.08 -0.67 0.02 -1.17 -0.54 0.00 0.00 175.26 172.98 2ppf s LEU 83 N 1.10 3.47 -0.31 2.70 2.96 0.13 -1.11 118.68 127.62 2ppf s LEU 83 Ca -0.04 -0.08 -0.20 0.00 -0.22 0.00 0.00 54.13 53.59 2ppf s LEU 83 Cb -0.20 -1.87 -0.01 0.00 0.50 0.00 0.00 46.19 44.61 2ppf s LEU 83 CO -0.05 0.12 0.60 -0.89 -1.32 0.00 0.00 176.35 174.81 2ppf s THR 84 N 0.66 4.97 -0.15 3.68 2.01 0.25 -1.28 115.64 125.77 2ppf s THR 84 Ca 0.01 0.78 -0.01 0.00 0.31 0.00 0.00 61.69 62.78 2ppf s THR 84 Cb -0.14 -3.97 -0.01 0.00 0.01 0.00 0.00 72.50 68.39 2ppf s THR 84 CO 0.02 -0.12 -0.11 -0.22 -0.69 0.00 0.00 174.62 173.50 2ppf s LEU 85 N 2.54 2.75 -0.13 4.42 2.96 -0.13 -1.25 118.68 129.84 2ppf s LEU 85 Ca 0.24 -0.34 0.02 0.00 -0.22 0.00 0.00 54.13 53.82 2ppf s LEU 85 Cb -0.15 -1.64 0.00 0.00 0.50 0.00 0.00 46.19 44.91 2ppf s LEU 85 CO 0.12 0.12 -0.20 -0.63 -1.32 0.00 0.00 176.35 174.44 2ppf s ILE 86 N 0.61 2.28 -0.56 6.68 1.01 -0.38 -1.38 121.20 129.46 2ppf s ILE 86 Ca -0.07 -0.91 -0.09 0.00 0.00 0.00 0.00 60.65 59.58 2ppf s ILE 86 Cb -0.15 -1.92 0.15 0.00 0.01 0.00 0.00 42.46 40.54 2ppf s ILE 86 CO 0.03 0.54 0.44 0.21 0.00 0.00 0.00 174.94 176.16 2ppf s ASN 87 N 0.69 5.78 0.64 3.58 2.47 -0.26 -1.14 114.94 126.71 2ppf s ASN 87 Ca -0.09 -2.25 -0.18 0.00 0.42 0.00 0.00 52.86 50.76 2ppf s ASN 87 Cb -0.16 -2.01 -0.01 0.00 -1.45 0.00 0.00 41.25 37.62 2ppf s ASN 87 CO 0.01 -0.60 1.23 -2.16 -3.72 0.00 0.00 177.10 171.86 2ppf s PRO 88 N 0.85 2.63 0.38 0.43 0.04 -1.26 0.30 135.00 138.37 2ppf s PRO 88 Ca 0.10 1.88 0.26 0.00 0.04 0.00 0.00 61.00 63.28 2ppf s PRO 88 Cb -0.22 -1.88 1.36 0.00 0.04 0.00 0.00 34.50 33.80 2ppf s PRO 88 CO -0.03 -1.49 1.79 1.05 0.04 0.00 0.00 177.00 178.37 2ppf h GLU 89 N 0.48 0.00 0.00 4.56 4.11 -1.90 -1.43 114.58 120.40 2ppf h GLU 89 Ca -0.50 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.93 2ppf h GLU 89 Cb 1.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.56 2ppf h GLU 89 CO 0.53 0.00 0.00 1.79 0.07 0.00 0.00 179.01 181.40 2ppf h THR 90 N 0.00 0.00 -4.51 -1.06 1.35 -1.95 -3.44 112.91 103.29 2ppf h THR 90 Ca 0.00 -0.41 -0.48 0.00 -0.55 0.00 0.00 66.41 64.97 2ppf h THR 90 Cb 0.06 1.29 0.09 0.00 -1.73 0.00 0.00 68.15 67.87 2ppf h THR 90 CO 0.00 0.00 0.41 0.20 -0.25 0.00 0.00 175.52 175.88 2ppf s ASN 91 N -4.61 5.00 -0.01 5.36 0.01 -0.54 -5.00 114.94 115.14 2ppf s ASN 91 Ca 0.07 1.01 0.07 0.00 -0.71 0.00 0.00 52.86 53.30 2ppf s ASN 91 Cb 0.10 -1.69 -0.11 0.00 0.41 0.00 0.00 41.25 39.97 2ppf s ASN 91 CO 0.51 -1.62 0.18 0.35 -1.51 0.00 0.00 177.10 175.01 2ppf n THR 92 N -3.17 0.00 -4.27 1.60 -2.24 -1.26 -4.77 114.28 100.18 2ppf n THR 92 Ca 0.07 -0.19 -0.26 0.00 -2.27 0.00 0.00 64.05 61.41 2ppf n THR 92 Cb 0.59 0.43 -0.08 0.00 -2.10 0.00 0.00 70.33 69.16 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 -3.34 3.14 0.35 3.22 1.43 -1.26 -4.90 118.68 117.33 2ppf s LEU 93 Ca -0.02 -0.54 -0.26 0.00 -1.03 0.00 0.00 54.13 52.28 2ppf s LEU 93 Cb 0.05 -1.77 -0.09 0.00 0.03 0.00 0.00 46.19 44.41 2ppf s LEU 93 CO 0.30 0.07 1.09 -0.32 0.23 0.00 0.00 176.35 177.72 2ppf s MET 94 N -3.09 4.33 0.18 1.70 -2.45 -1.26 -4.13 119.30 114.57 2ppf s MET 94 Ca 0.27 1.68 0.01 0.00 -1.25 0.00 0.00 55.69 56.40 2ppf s MET 94 Cb -0.08 -2.82 -0.04 0.00 1.25 0.00 0.00 34.83 33.13 2ppf s MET 94 CO 0.17 -0.03 0.04 -1.01 1.05 0.00 0.00 175.02 175.25 2ppf s HIS 95 N -1.42 1.15 0.02 4.11 0.09 -0.72 -4.91 115.29 113.60 2ppf s HIS 95 Ca 0.52 -1.14 -0.00 0.00 -0.00 0.00 0.00 55.06 54.44 2ppf s HIS 95 Cb -0.27 -0.65 0.00 0.00 -0.00 0.00 0.00 32.58 31.66 2ppf s HIS 95 CO 0.35 -0.36 0.03 0.27 -0.00 0.00 0.00 174.74 175.02 2ppf n ASN 96 N -0.23 -0.07 -3.83 1.40 0.23 -1.26 -0.81 115.26 110.68 2ppf n ASN 96 Ca -0.04 -1.07 -0.12 0.00 -0.53 0.00 0.00 54.58 52.81 2ppf n ASN 96 Cb 0.64 0.13 -0.13 0.00 -2.08 0.00 0.00 39.78 38.34 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 -2.69 0.00 -0.14 1.53 2.07 -1.26 -4.19 121.20 116.52 2ppf s ILE 97 Ca 0.01 -0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.25 2ppf s ILE 97 Cb -0.00 -0.18 0.02 0.00 0.13 0.00 0.00 42.46 42.43 2ppf s ILE 97 CO 0.01 -0.00 -0.12 0.20 -1.91 0.00 0.00 174.94 173.11 2ppf s ASN 98 N 0.07 2.55 -0.29 4.50 0.01 0.04 -1.24 114.94 120.57 2ppf s ASN 98 Ca -0.00 -0.44 -0.11 0.00 -0.71 0.00 0.00 52.86 51.60 2ppf s ASN 98 Cb -0.01 -1.09 -0.04 0.00 0.41 0.00 0.00 41.25 40.52 2ppf s ASN 98 CO 0.00 -0.07 0.20 -0.36 -1.51 0.00 0.00 177.10 175.36 2ppf s PHE 99 N 1.55 3.22 -0.14 2.20 0.40 0.32 -1.15 117.98 124.39 2ppf s PHE 99 Ca 0.05 0.05 0.26 0.00 -0.60 0.00 0.00 56.93 56.69 2ppf s PHE 99 Cb -0.13 -2.40 1.31 0.00 0.51 0.00 0.00 43.02 42.30 2ppf s PHE 99 CO -0.10 -0.21 1.80 0.45 0.70 0.00 0.00 175.22 177.86 2ppf h HIS 100 N 8.40 0.00 0.00 0.36 3.86 -1.46 -1.98 115.15 124.33 2ppf h HIS 100 Ca -0.34 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 58.87 2ppf h HIS 100 Cb 1.18 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.65 2ppf h HIS 100 CO 0.74 0.00 -0.02 0.00 0.86 0.00 0.00 177.93 179.51 2ppf h ALA 101 N 2.08 0.99 -2.07 2.45 0.00 -1.90 -3.47 119.26 117.34 2ppf h ALA 101 Ca 0.00 -0.02 -0.46 0.00 0.00 0.00 0.00 54.91 54.43 2ppf h ALA 101 Cb 0.15 -0.00 0.02 0.00 0.00 0.00 0.00 17.79 17.95 2ppf h ALA 101 CO 0.00 0.02 -0.16 0.00 0.00 0.00 0.00 179.25 179.11 2ppf s ALA 102 N -3.31 3.82 -0.17 0.00 0.00 -0.74 -4.56 121.76 116.79 2ppf s ALA 102 Ca 0.06 -1.09 0.01 0.00 0.00 0.00 0.00 51.96 50.93 2ppf s ALA 102 Cb 0.06 -2.06 0.03 0.00 0.00 0.00 0.00 23.12 21.15 2ppf s ALA 102 CO 0.64 -0.24 -0.14 0.99 0.00 0.00 0.00 175.76 177.01 2ppf s THR 103 N -2.44 1.69 0.00 0.00 2.01 -1.26 -4.67 115.64 110.97 2ppf s THR 103 Ca 0.46 -0.78 0.00 0.00 0.31 0.00 0.00 61.69 61.68 2ppf s THR 103 Cb -0.10 -1.61 0.00 0.00 0.01 0.00 0.00 72.50 70.80 2ppf s THR 103 CO 0.36 0.41 0.00 0.61 -0.69 0.00 0.00 174.62 175.32 2ppf n GLY 104 N 4.72 2.80 4.02 4.40 0.00 -1.26 -4.93 105.19 114.94 2ppf n GLY 104 Ca -0.17 -1.89 -0.28 0.00 0.00 0.00 0.00 46.02 43.67 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 0.38 -1.78 -2.03 4.61 0.00 -1.26 -0.51 120.51 119.92 2ppf n ALA 105 Ca 0.00 -0.18 -0.20 0.00 0.00 0.00 0.00 53.44 53.06 2ppf n ALA 105 Cb 0.00 -2.14 -0.04 0.00 0.00 0.00 0.00 19.45 17.27 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 -1.66 0.00 0.00 4.77 -1.26 -0.64 117.00 113.79 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 -2.80 0.00 0.00 -2.33 0.00 0.00 43.42 38.92 2ppf n LEU 106 CO 0.78 -0.59 0.00 0.61 -1.33 0.00 0.00 177.39 176.86 2ppf n GLY 107 N -0.71 0.73 0.00 -0.72 0.00 0.34 -4.12 105.19 100.71 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 -2.13 1.95 0.34 -0.02 0.00 0.19 -0.52 105.19 105.00 2ppf n GLY 108 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 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 0.83 2.00 -0.02 0.00 -0.67 -1.23 103.07 103.98 2ppf h GLY 109 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 47.33 47.04 2ppf h GLY 109 CO 0.00 0.26 0.00 -1.33 0.00 0.00 0.00 176.54 175.47 2ppf h GLY 110 N 0.74 0.00 -0.75 4.60 0.00 -1.64 -3.00 103.07 103.02 2ppf h GLY 110 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.58 2ppf h GLY 110 CO -0.07 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.51 2ppf n LEU 111 N -2.47 1.78 -0.32 3.11 4.77 -0.49 -4.70 117.00 118.69 2ppf n LEU 111 Ca 0.01 -1.01 0.05 0.00 -0.03 0.00 0.00 56.01 55.03 2ppf n LEU 111 Cb 0.22 -0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.38 2ppf n LEU 111 CO 0.20 0.35 0.41 0.35 -1.33 0.00 0.00 177.39 177.37 2ppf n THR 112 N 0.52 1.01 -2.02 -5.08 -2.24 -1.02 -4.95 114.28 100.51 2ppf n THR 112 Ca 0.05 -1.27 -0.43 0.00 -2.27 0.00 0.00 64.05 60.14 2ppf n THR 112 Cb 0.23 0.12 -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 -1.54 3.33 -0.10 -0.78 2.02 -1.24 -4.20 118.70 116.19 2ppf s GLU 113 Ca 0.18 1.39 0.03 0.00 0.02 0.00 0.00 54.97 56.59 2ppf s GLU 113 Cb 0.16 -4.19 0.01 0.00 0.10 0.00 0.00 34.13 30.21 2ppf s GLU 113 CO 0.01 -1.86 -0.21 0.96 0.02 0.00 0.00 175.26 174.18 2ppf s ILE 114 N 6.86 1.84 0.63 -1.63 -4.36 0.01 -4.99 121.20 119.56 2ppf s ILE 114 Ca 0.79 -0.88 -0.09 0.00 -0.26 0.00 0.00 60.65 60.21 2ppf s ILE 114 Cb -0.22 -1.61 -0.01 0.00 1.25 0.00 0.00 42.46 41.87 2ppf s ILE 114 CO 0.33 0.51 1.00 0.20 0.24 0.00 0.00 174.94 177.23 2ppf s ASN 115 N 0.57 5.76 0.18 4.36 0.02 -1.26 -1.76 114.94 122.82 2ppf s ASN 115 Ca -0.14 1.09 -0.33 0.00 -1.02 0.00 0.00 52.86 52.46 2ppf s ASN 115 Cb -0.17 -2.05 -0.15 0.00 0.02 0.00 0.00 41.25 38.91 2ppf s ASN 115 CO 0.05 -1.08 1.35 -2.65 0.02 0.00 0.00 177.10 174.79 2ppf n PRO 116 N -2.77 1.64 -0.50 -0.60 -0.02 -1.26 -1.38 135.00 130.12 2ppf n PRO 116 Ca 0.05 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 62.12 2ppf n PRO 116 Cb 0.56 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.83 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 2.39 0.75 3.52 -1.23 0.00 0.15 -4.70 105.19 106.06 2ppf n GLY 117 Ca 0.15 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.50 1.85 0.22 1.61 2.02 -0.48 -4.88 118.70 118.53 2ppf s GLU 118 Ca 0.00 -1.57 0.01 0.00 0.02 0.00 0.00 54.97 53.44 2ppf s GLU 118 Cb 0.00 -1.93 -0.05 0.00 0.10 0.00 0.00 34.13 32.25 2ppf s GLU 118 CO 0.00 0.37 0.06 -1.59 0.02 0.00 0.00 175.26 174.11 2ppf s LYS 119 N -3.28 1.26 0.08 1.61 -2.85 -1.26 -1.10 119.74 114.20 2ppf s LYS 119 Ca 0.28 -1.65 -0.16 0.00 -1.00 0.00 0.00 55.97 53.44 2ppf s LYS 119 Cb -0.06 -0.22 0.03 0.00 -2.06 0.00 0.00 37.83 35.51 2ppf s LYS 119 CO 0.15 -0.23 0.37 -0.08 0.10 0.00 0.00 175.35 175.67 2ppf s THR 120 N -3.74 0.07 -0.12 3.79 -1.32 -0.48 -5.01 115.64 108.84 2ppf s THR 120 Ca 0.32 -0.59 -0.00 0.00 -1.21 0.00 0.00 61.69 60.21 2ppf s THR 120 Cb 0.07 -1.06 0.02 0.00 -1.51 0.00 0.00 72.50 70.03 2ppf s THR 120 CO 0.09 -0.33 -0.09 -0.63 -2.21 0.00 0.00 174.62 171.45 2ppf s ILE 121 N -3.08 1.13 -0.07 5.08 1.01 -1.26 -0.95 121.20 123.05 2ppf s ILE 121 Ca -0.01 -0.36 0.02 0.00 0.00 0.00 0.00 60.65 60.30 2ppf s ILE 121 Cb 0.01 -1.12 -0.02 0.00 0.01 0.00 0.00 42.46 41.34 2ppf s ILE 121 CO -0.07 0.38 -0.13 -0.22 0.00 0.00 0.00 174.94 174.91 2ppf s LEU 122 N 1.59 2.80 -0.06 2.97 2.96 -0.40 -4.97 118.68 123.57 2ppf s LEU 122 Ca 0.03 -0.20 0.05 0.00 -0.22 0.00 0.00 54.13 53.79 2ppf s LEU 122 Cb -0.13 -1.59 -0.01 0.00 0.50 0.00 0.00 46.19 44.96 2ppf s LEU 122 CO -0.08 0.30 -0.22 -0.60 -1.32 0.00 0.00 176.35 174.43 2ppf s ARG 123 N -0.45 2.34 0.03 1.98 3.52 -1.26 -0.69 118.95 124.42 2ppf s ARG 123 Ca 0.06 -0.79 -0.00 0.00 -0.13 0.00 0.00 55.73 54.86 2ppf s ARG 123 Cb -0.12 -1.96 -0.03 0.00 -1.56 0.00 0.00 34.95 31.29 2ppf s ARG 123 CO 0.02 0.30 -0.03 -0.59 -0.81 0.00 0.00 175.30 174.19 2ppf s PHE 124 N -0.00 0.35 -0.12 5.12 -0.12 -0.49 -4.98 117.98 117.74 2ppf s PHE 124 Ca -0.06 -0.73 -0.25 0.00 -0.05 0.00 0.00 56.93 55.84 2ppf s PHE 124 Cb -0.14 -0.26 -0.02 0.00 -0.63 0.00 0.00 43.02 41.97 2ppf s PHE 124 CO 0.04 -0.26 0.78 0.21 -0.05 0.00 0.00 175.22 175.93 2ppf s LYS 125 N -2.39 4.36 -1.24 1.99 2.20 -1.26 -0.46 119.74 122.94 2ppf s LYS 125 Ca -0.07 0.96 -0.15 0.00 -0.36 0.00 0.00 55.97 56.35 2ppf s LYS 125 Cb -0.03 -3.52 0.14 0.00 -1.51 0.00 0.00 37.83 32.91 2ppf s LYS 125 CO -0.04 -0.16 1.54 0.00 -0.36 0.00 0.00 175.35 176.33 2ppf n ALA 126 N 4.59 3.80 0.44 3.13 0.00 -0.34 -4.78 120.51 127.35 2ppf n ALA 126 Ca 0.02 -4.12 0.13 0.00 0.00 0.00 0.00 53.44 49.46 2ppf n ALA 126 Cb 0.50 -3.23 0.28 0.00 0.00 0.00 0.00 19.45 17.01 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 4.91 0.00 -3.37 0.00 1.35 -1.86 0.25 112.91 114.19 2ppf h THR 127 Ca 0.36 -0.72 -0.58 0.00 -0.55 0.00 0.00 66.41 64.92 2ppf h THR 127 Cb 0.87 1.69 -0.33 0.00 -1.73 0.00 0.00 68.15 68.64 2ppf h THR 127 CO 1.32 0.00 -0.84 -0.54 -0.25 0.00 0.00 175.52 175.21 2ppf s LYS 128 N -3.16 2.25 0.11 4.72 1.02 -1.26 -4.75 119.74 118.67 2ppf s LYS 128 Ca 0.09 -0.60 -0.26 0.00 0.02 0.00 0.00 55.97 55.21 2ppf s LYS 128 Cb 0.09 -1.79 -0.07 0.00 -0.52 0.00 0.00 37.83 35.55 2ppf s LYS 128 CO 0.64 0.07 0.82 -1.25 -0.92 0.00 0.00 175.35 174.70 2ppf s PRO 129 N 0.60 4.58 0.00 -1.68 0.04 -1.26 -4.79 135.00 132.48 2ppf s PRO 129 Ca -0.15 1.19 0.00 0.00 0.04 0.00 0.00 61.00 62.08 2ppf s PRO 129 Cb -0.16 -3.32 0.00 0.00 0.04 0.00 0.00 34.50 31.05 2ppf s PRO 129 CO 0.05 0.39 0.00 0.41 0.04 0.00 0.00 177.00 177.89 2ppf n GLY 130 N 2.02 -2.01 3.89 0.56 0.00 0.25 -1.89 105.19 108.01 2ppf n GLY 130 Ca -0.03 -1.45 -0.35 0.00 0.00 0.00 0.00 46.02 44.19 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 -1.88 5.43 -0.05 1.61 -7.23 0.87 -0.25 120.40 118.91 2ppf s VAL 131 Ca 0.00 0.09 -0.04 0.00 -1.81 0.00 0.00 61.98 60.22 2ppf s VAL 131 Cb 0.00 -3.49 0.01 0.00 0.56 0.00 0.00 36.38 33.46 2ppf s VAL 131 CO 0.00 0.47 0.13 -0.36 -0.31 0.00 0.00 175.10 175.02 2ppf s PHE 132 N -1.18 -0.14 0.53 2.82 0.08 -0.30 -4.48 117.98 115.31 2ppf s PHE 132 Ca 0.22 0.34 -0.20 0.00 0.12 0.00 0.00 56.93 57.41 2ppf s PHE 132 Cb -0.13 0.04 -0.06 0.00 -0.57 0.00 0.00 43.02 42.31 2ppf s PHE 132 CO 0.12 -0.07 1.17 0.08 -0.10 0.00 0.00 175.22 176.42 2ppf s VAL 133 N 0.10 2.94 0.09 -0.44 1.01 -1.26 -0.55 120.40 122.30 2ppf s VAL 133 Ca -0.00 0.63 0.06 0.00 0.00 0.00 0.00 61.98 62.66 2ppf s VAL 133 Cb -0.01 -3.27 -0.03 0.00 0.00 0.00 0.00 36.38 33.06 2ppf s VAL 133 CO -0.00 -0.09 -0.15 -0.72 0.00 0.00 0.00 175.10 174.13 2ppf s TYR 134 N -1.64 1.37 0.09 5.22 -0.85 -0.61 -1.22 117.35 119.72 2ppf s TYR 134 Ca 0.72 -0.47 -0.25 0.00 -0.52 0.00 0.00 57.07 56.54 2ppf s TYR 134 Cb -0.28 -0.75 0.08 0.00 0.38 0.00 0.00 41.96 41.39 2ppf s TYR 134 CO 0.32 0.11 0.71 -3.38 -1.52 0.00 0.00 175.55 171.78 2ppf s HIS 135 N -1.44 -0.47 0.44 -3.49 -3.43 -0.30 -0.97 115.29 105.64 2ppf s HIS 135 Ca 0.02 0.31 -0.22 0.00 -0.80 0.00 0.00 55.06 54.36 2ppf s HIS 135 Cb -0.09 0.55 -0.08 0.00 -1.43 0.00 0.00 32.58 31.53 2ppf s HIS 135 CO 0.03 -0.73 1.07 0.00 -2.00 0.00 0.00 174.74 173.11 2ppf n ALA 137 N -0.47 -0.56 -2.62 0.00 0.00 -1.26 -4.53 120.51 111.08 2ppf n ALA 137 Ca 0.07 -1.71 -0.42 0.00 0.00 0.00 0.00 53.44 51.37 2ppf n ALA 137 Cb 0.50 -1.26 -0.03 0.00 0.00 0.00 0.00 19.45 18.66 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 0.47 4.47 0.02 0.00 0.02 -1.26 -4.89 135.00 133.83 2ppf s PRO 138 Ca 0.32 1.50 -0.37 0.00 0.02 0.00 0.00 61.00 62.46 2ppf s PRO 138 Cb 0.10 -3.48 -0.17 0.00 0.02 0.00 0.00 34.50 30.97 2ppf s PRO 138 CO -0.14 -0.21 1.41 -2.30 -0.33 0.00 0.00 177.00 175.42 2ppf n PRO 139 N 4.41 1.11 0.00 5.54 -0.02 -1.26 -0.51 135.00 144.27 2ppf n PRO 139 Ca 0.08 0.40 0.00 0.00 -2.02 0.00 0.00 63.50 61.96 2ppf n PRO 139 Cb 0.49 -2.05 0.00 0.00 -0.02 0.00 0.00 33.50 31.92 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 2.80 2.17 1.08 -1.23 0.00 -1.26 -4.82 105.19 103.93 2ppf n GLY 140 Ca 0.20 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.26 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 0.39 0.31 1.61 2.81 0.33 -4.99 117.12 115.58 2ppf n MET 141 Ca 0.00 -2.13 -0.12 0.00 -1.81 0.00 0.00 57.70 53.64 2ppf n MET 141 Cb 0.00 -0.49 -0.06 0.00 -0.71 0.00 0.00 33.22 31.96 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 5.40 0.00 -0.07 2.03 2.07 -1.83 -2.84 116.25 121.01 2ppf h VAL 142 Ca -0.13 -0.01 -0.03 0.00 0.82 0.00 0.00 66.70 67.34 2ppf h VAL 142 Cb 1.59 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.35 2ppf h VAL 142 CO 0.06 0.00 -0.10 1.55 0.02 0.00 0.00 177.57 179.10 2ppf h PRO 143 N -0.79 0.10 -0.66 1.57 0.13 -1.92 -2.46 132.00 127.96 2ppf h PRO 143 Ca -0.08 -0.02 -0.00 0.00 -0.87 0.00 0.00 66.00 65.03 2ppf h PRO 143 Cb 0.59 -0.02 -0.03 0.00 0.13 0.00 0.00 31.00 31.68 2ppf h PRO 143 CO 0.13 0.20 0.41 2.35 -0.23 0.00 0.00 178.00 180.86 2ppf h TRP 144 N 0.09 0.85 -0.45 1.56 7.01 -1.95 0.33 115.95 123.40 2ppf h TRP 144 Ca 0.02 0.00 -0.09 0.00 2.11 0.00 0.00 58.89 60.93 2ppf h TRP 144 Cb 0.24 -0.28 -0.01 0.00 -2.10 0.00 0.00 29.16 27.00 2ppf h TRP 144 CO 0.00 0.57 -0.07 0.45 -2.79 0.00 0.00 178.44 176.60 2ppf h HIS 145 N 0.89 0.94 -0.35 2.65 3.86 -1.23 -2.26 115.15 119.66 2ppf h HIS 145 Ca 0.24 -0.19 -0.03 0.00 -1.16 0.00 0.00 60.37 59.22 2ppf h HIS 145 Cb -0.05 -0.23 -0.01 0.00 1.06 0.00 0.00 27.41 28.18 2ppf h HIS 145 CO -0.02 0.93 0.09 0.28 0.86 0.00 0.00 177.93 180.07 2ppf h VAL 146 N 0.68 1.22 -0.01 2.45 2.07 -1.00 -2.19 116.25 119.47 2ppf h VAL 146 Ca 0.12 -0.74 0.00 0.00 0.82 0.00 0.00 66.70 66.90 2ppf h VAL 146 Cb 0.60 1.04 0.00 0.00 -1.52 0.00 0.00 31.29 31.42 2ppf h VAL 146 CO 0.04 0.25 0.00 1.33 0.02 0.00 0.00 177.57 179.21 2ppf n VAL 147 N -4.62 0.01 0.68 2.57 0.24 0.07 -1.61 118.33 115.67 2ppf n VAL 147 Ca -0.01 -0.07 0.08 0.00 -2.04 0.00 0.00 64.34 62.29 2ppf n VAL 147 Cb 0.19 -0.20 0.23 0.00 -1.47 0.00 0.00 33.84 32.59 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 -0.64 2.32 0.00 -1.34 7.64 -0.85 -4.67 113.62 116.08 2ppf n SER 148 Ca 0.21 -1.95 0.00 0.00 1.01 0.00 0.00 58.87 58.14 2ppf n SER 148 Cb 0.17 -0.26 0.00 0.00 -1.01 0.00 0.00 64.21 63.11 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 1.21 0.90 2.69 0.23 0.00 -0.63 -1.42 105.19 108.17 2ppf n GLY 149 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.04 3.67 -3.48 1.61 0.00 -0.91 -4.55 117.12 111.42 2ppf n MET 150 Ca 0.00 -3.16 -0.13 0.00 0.00 0.00 0.00 57.70 54.41 2ppf n MET 150 Cb 0.00 -2.93 -0.03 0.00 0.00 0.00 0.00 33.22 30.26 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 1.40 -0.51 0.00 6.12 2.20 -1.26 -1.67 114.94 121.22 2ppf s ASN 151 Ca 0.47 0.06 0.00 0.00 -0.94 0.00 0.00 52.86 52.46 2ppf s ASN 151 Cb 0.13 0.56 0.00 0.00 -2.00 0.00 0.00 41.25 39.94 2ppf s ASN 151 CO -0.04 -0.88 0.00 0.61 -2.94 0.00 0.00 177.10 173.85 2ppf n GLY 152 N -0.09 3.25 3.48 0.45 0.00 -0.14 -0.41 105.19 111.72 2ppf n GLY 152 Ca -0.17 -0.50 -0.09 0.00 0.00 0.00 0.00 46.02 45.26 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 -1.00 -0.64 0.23 4.61 0.00 -1.26 -1.57 121.76 122.13 2ppf s ALA 153 Ca 0.00 -0.44 0.08 0.00 0.00 0.00 0.00 51.96 51.59 2ppf s ALA 153 Cb 0.00 0.86 -0.05 0.00 0.00 0.00 0.00 23.12 23.93 2ppf s ALA 153 CO 0.00 -0.77 -0.12 0.96 0.00 0.00 0.00 175.76 175.83 2ppf s ILE 154 N -3.91 1.75 -0.13 0.00 -4.36 0.29 -2.95 121.20 111.90 2ppf s ILE 154 Ca 0.12 -2.20 0.02 0.00 -0.26 0.00 0.00 60.65 58.34 2ppf s ILE 154 Cb 0.00 -2.20 0.01 0.00 1.25 0.00 0.00 42.46 41.53 2ppf s ILE 154 CO -0.01 -0.48 -0.19 -0.32 0.24 0.00 0.00 174.94 174.17 2ppf s MET 155 N -3.67 2.68 -0.46 0.37 -2.45 0.37 -1.15 119.30 114.99 2ppf s MET 155 Ca 0.25 -0.73 -0.09 0.00 -1.25 0.00 0.00 55.69 53.88 2ppf s MET 155 Cb 0.00 -2.21 0.11 0.00 1.25 0.00 0.00 34.83 33.99 2ppf s MET 155 CO 0.09 -0.04 0.32 0.08 1.05 0.00 0.00 175.02 176.53 2ppf s VAL 156 N 0.90 4.14 0.39 10.11 1.01 0.66 -1.37 120.40 136.23 2ppf s VAL 156 Ca -0.07 -1.76 -0.24 0.00 0.00 0.00 0.00 61.98 59.92 2ppf s VAL 156 Cb -0.15 -3.71 -0.09 0.00 0.00 0.00 0.00 36.38 32.43 2ppf s VAL 156 CO -0.02 -0.73 1.01 -0.76 0.00 0.00 0.00 175.10 174.60 2ppf s LEU 157 N 1.35 4.13 0.67 3.92 1.43 -0.04 -0.59 118.68 129.55 2ppf s LEU 157 Ca 0.06 1.93 -0.17 0.00 -1.03 0.00 0.00 54.13 54.92 2ppf s LEU 157 Cb -0.26 -4.23 0.01 0.00 0.03 0.00 0.00 46.19 41.74 2ppf s LEU 157 CO -0.01 -0.40 1.24 -2.84 0.23 0.00 0.00 176.35 174.57 2ppf s PRO 158 N -2.56 2.44 0.52 1.29 0.02 -1.26 -0.53 135.00 134.91 2ppf s PRO 158 Ca 0.58 1.90 0.20 0.00 0.02 0.00 0.00 61.00 63.69 2ppf s PRO 158 Cb -0.19 -1.85 1.35 0.00 0.02 0.00 0.00 34.50 33.83 2ppf s PRO 158 CO 0.24 -1.64 2.13 0.00 -0.33 0.00 0.00 177.00 177.40 2ppf h ARG 159 N 0.25 0.00 -0.64 5.54 3.08 -1.89 -0.79 114.38 119.92 2ppf h ARG 159 Ca -0.49 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.56 2ppf h ARG 159 Cb 1.31 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.36 2ppf h ARG 159 CO 0.52 0.05 0.00 0.39 -1.07 0.00 0.00 179.97 179.86 2ppf n GLU 160 N -4.26 3.30 -0.20 0.04 -0.58 -1.26 -0.32 120.64 117.35 2ppf n GLU 160 Ca -0.03 -2.17 0.03 0.00 -0.42 0.00 0.00 57.16 54.57 2ppf n GLU 160 Cb 0.13 -1.84 -0.01 0.00 -0.57 0.00 0.00 31.44 29.16 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 0.76 -2.03 3.79 0.62 0.00 -0.30 -4.79 105.19 103.23 2ppf n GLY 161 Ca 0.19 -1.40 -0.35 0.00 0.00 0.00 0.00 46.02 44.47 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 3.96 0.09 0.99 1.43 -1.26 -4.44 118.68 119.45 2ppf s LEU 162 Ca 0.00 1.94 0.01 0.00 -1.03 0.00 0.00 54.13 55.05 2ppf s LEU 162 Cb 0.00 -4.42 -0.04 0.00 0.03 0.00 0.00 46.19 41.76 2ppf s LEU 162 CO 0.00 -0.63 -0.06 -1.00 0.23 0.00 0.00 176.35 174.89 2ppf s HIS 163 N -1.88 0.83 0.53 0.29 3.76 -1.26 -1.49 115.29 116.07 2ppf s HIS 163 Ca 0.63 -0.91 -0.09 0.00 -0.15 0.00 0.00 55.06 54.54 2ppf s HIS 163 Cb -0.18 -0.49 0.12 0.00 1.11 0.00 0.00 32.58 33.14 2ppf s HIS 163 CO 0.22 -0.17 0.72 -0.40 -0.85 0.00 0.00 174.74 174.25 2ppf n ASP 164 N 0.05 0.10 0.02 1.40 5.68 0.59 -4.82 116.55 119.57 2ppf n ASP 164 Ca -0.13 -1.29 0.05 0.00 -0.50 0.00 0.00 54.79 52.93 2ppf n ASP 164 Cb 0.61 -0.55 0.24 0.00 -1.14 0.00 0.00 41.12 40.28 2ppf n ASP 164 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2ppf n GLY 165 N 0.25 -0.85 0.05 6.12 0.00 -1.26 -2.64 105.19 106.86 2ppf n GLY 165 Ca 0.09 -0.01 0.07 0.00 0.00 0.00 0.00 46.02 46.17 2ppf n GLY 165 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2ppf n LYS 166 N -1.60 1.80 -0.52 1.61 4.76 -1.26 -4.98 118.16 117.97 2ppf n LYS 166 Ca 0.02 -2.19 0.00 0.00 -2.87 0.00 0.00 58.31 53.27 2ppf n LYS 166 Cb 0.11 -1.32 0.00 0.00 -1.84 0.00 0.00 35.03 31.99 2ppf n LYS 166 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2ppf n GLY 167 N -1.10 0.75 3.73 0.72 0.00 -1.08 -5.05 105.19 103.17 2ppf n GLY 167 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.48 4.63 0.35 1.61 3.01 -1.26 -4.81 119.74 122.79 2ppf s LYS 168 Ca 0.00 1.33 -0.29 0.00 -1.01 0.00 0.00 55.97 56.00 2ppf s LYS 168 Cb 0.00 -3.38 -0.11 0.00 -1.01 0.00 0.00 37.83 33.34 2ppf s LYS 168 CO 0.00 0.23 1.49 0.00 0.51 0.00 0.00 175.35 177.58 2ppf s ALA 169 N 0.01 3.60 -0.23 5.17 0.00 -1.26 -0.30 121.76 128.76 2ppf s ALA 169 Ca 0.44 1.55 0.02 0.00 0.00 0.00 0.00 51.96 53.97 2ppf s ALA 169 Cb -0.22 -3.61 0.05 0.00 0.00 0.00 0.00 23.12 19.34 2ppf s ALA 169 CO 0.28 -1.01 -0.10 -0.51 0.00 0.00 0.00 175.76 174.42 2ppf s LEU 170 N -1.73 2.72 -0.22 0.00 1.43 -0.55 -4.78 118.68 115.55 2ppf s LEU 170 Ca 0.55 -1.12 -0.02 0.00 -1.03 0.00 0.00 54.13 52.51 2ppf s LEU 170 Cb -0.46 -1.33 0.01 0.00 0.03 0.00 0.00 46.19 44.44 2ppf s LEU 170 CO 0.59 -0.18 -0.09 -0.89 0.23 0.00 0.00 176.35 176.01 2ppf s THR 171 N 1.30 2.86 0.36 5.49 2.01 -1.26 -4.11 115.64 122.28 2ppf s THR 171 Ca -0.05 -0.77 -0.16 0.00 0.31 0.00 0.00 61.69 61.03 2ppf s THR 171 Cb -0.18 -2.32 -0.09 0.00 0.01 0.00 0.00 72.50 69.92 2ppf s THR 171 CO -0.07 0.39 0.79 -0.72 -0.69 0.00 0.00 174.62 174.32 2ppf s TYR 172 N 1.38 3.37 0.03 4.92 -0.85 -1.26 -4.90 117.35 120.04 2ppf s TYR 172 Ca 0.04 1.29 -0.05 0.00 -0.52 0.00 0.00 57.07 57.83 2ppf s TYR 172 Cb -0.15 -2.60 -0.29 0.00 0.38 0.00 0.00 41.96 39.31 2ppf s TYR 172 CO -0.06 0.02 0.96 -0.44 -1.52 0.00 0.00 175.55 174.50 2ppf h ASP 173 N 2.04 0.46 -5.18 -0.18 3.32 -0.99 -3.49 116.42 112.40 2ppf h ASP 173 Ca -0.48 -0.57 -0.08 0.00 0.02 0.00 0.00 57.03 55.92 2ppf h ASP 173 Cb 1.18 -0.15 -0.13 0.00 0.22 0.00 0.00 39.33 40.45 2ppf h ASP 173 CO 0.64 1.46 -0.25 -1.59 -1.72 0.00 0.00 179.24 177.78 2ppf s LYS 174 N -2.63 1.09 -0.01 3.56 -2.85 -1.01 -5.03 119.74 112.87 2ppf s LYS 174 Ca -0.08 -1.01 0.01 0.00 -1.00 0.00 0.00 55.97 53.90 2ppf s LYS 174 Cb 0.07 0.40 -0.00 0.00 -2.06 0.00 0.00 37.83 36.23 2ppf s LYS 174 CO 0.87 -0.40 -0.05 -1.50 0.10 0.00 0.00 175.35 174.38 2ppf s ILE 175 N -3.90 0.37 0.09 3.79 2.07 -1.26 -1.58 121.20 120.78 2ppf s ILE 175 Ca 0.11 -0.19 0.08 0.00 -1.41 0.00 0.00 60.65 59.23 2ppf s ILE 175 Cb 0.03 -0.33 -0.03 0.00 0.13 0.00 0.00 42.46 42.26 2ppf s ILE 175 CO -0.05 0.11 -0.20 -0.31 -1.91 0.00 0.00 174.94 172.58 2ppf s TYR 176 N -0.03 1.72 -0.25 3.50 2.02 -0.34 -4.50 117.35 119.47 2ppf s TYR 176 Ca 0.01 -0.42 -0.01 0.00 -0.37 0.00 0.00 57.07 56.28 2ppf s TYR 176 Cb -0.03 -0.95 0.03 0.00 -0.40 0.00 0.00 41.96 40.61 2ppf s TYR 176 CO -0.00 0.17 -0.07 -0.47 -1.57 0.00 0.00 175.55 173.61 2ppf s TYR 177 N -1.12 3.10 -0.40 2.71 5.04 0.02 -0.72 117.35 125.98 2ppf s TYR 177 Ca 0.05 -1.70 -0.11 0.00 -2.44 0.00 0.00 57.07 52.88 2ppf s TYR 177 Cb -0.10 -2.04 0.05 0.00 0.35 0.00 0.00 41.96 40.22 2ppf s TYR 177 CO 0.04 -0.76 0.24 0.08 -1.34 0.00 0.00 175.55 173.80 2ppf s VAL 178 N 1.29 4.52 -0.22 3.14 1.01 0.58 -4.23 120.40 126.48 2ppf s VAL 178 Ca -0.01 -1.06 -0.15 0.00 0.00 0.00 0.00 61.98 60.76 2ppf s VAL 178 Cb -0.17 -3.62 -0.04 0.00 0.00 0.00 0.00 36.38 32.55 2ppf s VAL 178 CO -0.05 -0.35 0.37 -0.83 0.00 0.00 0.00 175.10 174.23 2ppf s GLY 179 N 1.82 2.03 -0.18 4.51 0.00 -1.26 -1.88 107.32 112.37 2ppf s GLY 179 Ca 0.02 -0.62 -0.09 0.00 0.00 0.00 0.00 44.72 44.03 2ppf s GLY 179 CO 0.05 0.80 0.11 1.85 0.00 0.00 0.00 173.10 175.91 2ppf s GLU 180 N 1.43 3.96 -0.11 2.90 2.12 -0.51 -1.80 118.70 126.68 2ppf s GLU 180 Ca 0.17 -0.23 0.02 0.00 0.36 0.00 0.00 54.97 55.28 2ppf s GLU 180 Cb -0.15 -3.31 0.01 0.00 0.26 0.00 0.00 34.13 30.95 2ppf s GLU 180 CO 0.08 0.40 -0.15 -1.14 -0.54 0.00 0.00 175.26 173.91 2ppf s GLN 181 N 0.04 2.22 -0.17 4.30 2.00 0.41 -4.52 119.66 123.94 2ppf s GLN 181 Ca 0.09 -0.56 -0.22 0.00 -2.00 0.00 0.00 55.36 52.67 2ppf s GLN 181 Cb -0.11 -1.89 -0.03 0.00 0.80 0.00 0.00 33.01 31.78 2ppf s GLN 181 CO -0.00 -0.06 0.66 0.16 -0.50 0.00 0.00 175.29 175.55 2ppf s ASP 182 N 0.98 6.77 0.11 6.67 3.84 -1.26 -1.13 116.67 132.65 2ppf s ASP 182 Ca -0.07 0.94 0.08 0.00 -0.00 0.00 0.00 52.55 53.50 2ppf s ASP 182 Cb -0.15 -2.37 -0.04 0.00 -1.38 0.00 0.00 42.92 38.98 2ppf s ASP 182 CO -0.02 -0.26 -0.13 -0.36 -0.00 0.00 0.00 175.17 174.41 2ppf s PHE 183 N 1.72 2.66 -0.57 2.11 0.08 -0.23 -4.77 117.98 118.99 2ppf s PHE 183 Ca 0.31 -0.20 0.04 0.00 0.12 0.00 0.00 56.93 57.21 2ppf s PHE 183 Cb -0.16 -1.40 0.16 0.00 -0.57 0.00 0.00 43.02 41.05 2ppf s PHE 183 CO 0.12 0.41 0.41 0.71 -0.10 0.00 0.00 175.22 176.76 2ppf s TYR 184 N -1.18 2.52 -0.24 0.36 1.51 -1.26 -0.91 117.35 118.14 2ppf s TYR 184 Ca 0.20 -2.88 -0.16 0.00 -1.01 0.00 0.00 57.07 53.21 2ppf s TYR 184 Cb -0.11 -1.99 -0.03 0.00 -0.11 0.00 0.00 41.96 39.72 2ppf s TYR 184 CO 0.12 -0.67 0.44 0.08 -1.11 0.00 0.00 175.55 174.41 2ppf s VAL 185 N -0.71 5.14 0.56 0.71 1.01 -1.26 -4.78 120.40 121.07 2ppf s VAL 185 Ca 0.27 0.74 -0.21 0.00 0.00 0.00 0.00 61.98 62.78 2ppf s VAL 185 Cb -0.04 -3.76 -0.04 0.00 0.00 0.00 0.00 36.38 32.53 2ppf s VAL 185 CO -0.16 0.16 1.33 -2.65 0.00 0.00 0.00 175.10 173.78 2ppf n PRO 186 N 5.15 1.57 -4.35 2.72 -0.02 -1.26 -4.88 135.00 133.93 2ppf n PRO 186 Ca -0.07 0.58 -0.28 0.00 -2.02 0.00 0.00 63.50 61.71 2ppf n PRO 186 Cb 0.50 -2.54 -0.11 0.00 -0.02 0.00 0.00 33.50 31.33 2ppf n PRO 186 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2ppf s ARG 187 N -2.93 1.68 0.68 -0.52 0.52 -1.26 -1.14 118.95 115.99 2ppf s ARG 187 Ca 0.73 -1.32 -0.08 0.00 -0.52 0.00 0.00 55.73 54.54 2ppf s ARG 187 Cb -0.41 -2.01 0.15 0.00 0.52 0.00 0.00 34.95 33.20 2ppf s ARG 187 CO 0.48 0.44 0.93 -0.40 0.02 0.00 0.00 175.30 176.78 2ppf n ASP 188 N 0.54 0.47 0.28 0.23 5.68 0.25 -4.86 116.55 119.13 2ppf n ASP 188 Ca -0.14 -1.58 0.14 0.00 -0.50 0.00 0.00 54.79 52.71 2ppf n ASP 188 Cb 0.54 -0.68 0.81 0.00 -1.14 0.00 0.00 41.12 40.65 2ppf n ASP 188 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 2ppf h GLU 189 N 0.00 0.00 0.00 0.11 4.39 -2.02 0.58 114.58 117.64 2ppf h GLU 189 Ca -0.30 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.40 2ppf h GLU 189 Cb 0.93 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.58 2ppf h GLU 189 CO 0.25 0.08 0.00 0.09 -1.16 0.00 0.00 179.01 178.27 2ppf n ASN 190 N -3.62 0.00 0.00 1.42 3.02 -1.26 -4.90 115.26 109.91 2ppf n ASN 190 Ca -0.02 0.33 0.00 0.00 -0.03 0.00 0.00 54.58 54.86 2ppf n ASN 190 Cb 0.19 -0.44 0.00 0.00 -0.61 0.00 0.00 39.78 38.93 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 0.86 0.47 3.88 7.41 0.00 0.20 -5.05 105.19 112.96 2ppf n GLY 191 Ca 0.07 -0.36 -0.33 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.67 3.73 0.29 1.61 -0.14 -1.26 -4.78 119.74 118.52 2ppf s LYS 192 Ca 0.00 0.12 -0.29 0.00 -1.36 0.00 0.00 55.97 54.43 2ppf s LYS 192 Cb 0.00 -2.91 -0.10 0.00 -1.68 0.00 0.00 37.83 33.14 2ppf s LYS 192 CO 0.00 0.50 1.31 0.71 -0.76 0.00 0.00 175.35 177.11 2ppf s TYR 193 N -1.53 3.12 0.37 3.18 1.51 -1.26 -0.59 117.35 122.15 2ppf s TYR 193 Ca 0.37 1.34 -0.17 0.00 -1.01 0.00 0.00 57.07 57.60 2ppf s TYR 193 Cb -0.13 -3.66 -0.10 0.00 -0.11 0.00 0.00 41.96 37.96 2ppf s TYR 193 CO 0.20 -1.89 0.82 0.15 -1.11 0.00 0.00 175.55 173.73 2ppf s LYS 194 N -1.25 4.08 0.07 -0.62 1.02 -0.29 -4.84 119.74 117.91 2ppf s LYS 194 Ca 0.52 0.84 0.07 0.00 0.02 0.00 0.00 55.97 57.41 2ppf s LYS 194 Cb -0.39 -2.33 -0.04 0.00 -0.52 0.00 0.00 37.83 34.56 2ppf s LYS 194 CO 0.48 0.07 -0.13 0.15 -0.92 0.00 0.00 175.35 175.00 2ppf s LYS 195 N -3.10 2.11 0.08 1.68 1.02 -1.26 -4.77 119.74 115.50 2ppf s LYS 195 Ca 0.57 -0.99 0.06 0.00 0.02 0.00 0.00 55.97 55.63 2ppf s LYS 195 Cb -0.10 -2.27 -0.03 0.00 -0.52 0.00 0.00 37.83 34.92 2ppf s LYS 195 CO 0.16 0.53 -0.16 0.71 -0.92 0.00 0.00 175.35 175.67 2ppf s TYR 196 N -1.08 1.38 -0.05 3.18 2.02 -1.26 -5.07 117.35 116.47 2ppf s TYR 196 Ca 0.18 -0.45 -0.25 0.00 -0.37 0.00 0.00 57.07 56.18 2ppf s TYR 196 Cb -0.11 -0.77 -0.20 0.00 -0.40 0.00 0.00 41.96 40.48 2ppf s TYR 196 CO 0.10 0.10 1.06 0.93 -1.57 0.00 0.00 175.55 176.17 2ppf h GLU 197 N 4.21 -0.06 -6.64 -0.62 5.08 -2.01 -3.46 114.58 111.07 2ppf h GLU 197 Ca -0.42 0.00 -0.66 0.00 -1.00 0.00 0.00 59.36 57.28 2ppf h GLU 197 Cb 1.19 0.01 -0.19 0.00 0.50 0.00 0.00 28.75 30.26 2ppf h GLU 197 CO 0.40 0.50 -0.83 0.00 -1.00 0.00 0.00 179.01 178.09 2ppf s ALA 198 N -3.73 2.53 0.24 3.43 0.00 -1.26 -5.05 121.76 117.92 2ppf s ALA 198 Ca -0.16 -1.62 -0.05 0.00 0.00 0.00 0.00 51.96 50.13 2ppf s ALA 198 Cb 0.00 -0.34 0.44 0.00 0.00 0.00 0.00 23.12 23.22 2ppf s ALA 198 CO 0.62 0.44 1.71 -1.35 0.00 0.00 0.00 175.76 177.19 2ppf h PRO 199 N 3.27 0.35 -0.28 0.00 0.11 -1.95 -1.89 132.00 131.62 2ppf h PRO 199 Ca -0.47 -0.02 0.05 0.00 0.11 0.00 0.00 66.00 65.67 2ppf h PRO 199 Cb 1.20 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 2ppf h PRO 199 CO 0.47 0.23 0.19 0.78 -0.21 0.00 0.00 178.00 179.47 2ppf h GLY 200 N 0.37 0.16 2.00 -0.55 0.00 -2.00 -2.08 103.07 100.97 2ppf h GLY 200 Ca 0.40 -0.05 -0.01 0.00 0.00 0.00 0.00 47.33 47.66 2ppf h GLY 200 CO -0.43 0.04 -0.07 -0.55 0.00 0.00 0.00 176.54 175.53 2ppf h ASP 201 N 0.13 0.00 0.68 0.19 3.45 -1.76 -2.60 116.42 116.51 2ppf h ASP 201 Ca 0.12 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.58 2ppf h ASP 201 Cb 0.33 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.10 2ppf h ASP 201 CO -0.02 0.07 -0.56 0.00 -1.57 0.00 0.00 179.24 177.17 2ppf n ALA 202 N -2.19 3.21 0.14 3.45 0.00 -0.78 -4.60 120.51 119.75 2ppf n ALA 202 Ca -0.01 -0.30 -0.14 0.00 0.00 0.00 0.00 53.44 52.99 2ppf n ALA 202 Cb 0.23 -1.15 -0.08 0.00 0.00 0.00 0.00 19.45 18.44 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 0.00 -1.25 -0.71 0.00 5.03 -1.54 -1.18 116.97 117.33 2ppf h TYR 203 Ca 0.00 0.03 -0.04 0.00 2.58 0.00 0.00 58.73 61.30 2ppf h TYR 203 Cb 0.62 0.52 -0.03 0.00 1.55 0.00 0.00 36.73 39.38 2ppf h TYR 203 CO 0.00 -0.52 0.29 0.93 -1.32 0.00 0.00 178.16 177.54 2ppf h GLU 204 N -0.70 1.05 -0.72 1.82 4.39 -1.81 -0.52 114.58 118.09 2ppf h GLU 204 Ca -0.02 -0.19 -0.05 0.00 0.34 0.00 0.00 59.36 59.44 2ppf h GLU 204 Cb 0.67 -0.17 -0.03 0.00 -0.10 0.00 0.00 28.75 29.11 2ppf h GLU 204 CO -0.18 0.86 0.26 -0.44 -1.16 0.00 0.00 179.01 178.36 2ppf h ASP 205 N 1.01 1.00 -0.17 1.42 3.45 -1.83 -2.78 116.42 118.51 2ppf h ASP 205 Ca 0.24 -0.16 -0.08 0.00 0.43 0.00 0.00 57.03 57.45 2ppf h ASP 205 Cb 0.20 -0.26 -0.00 0.00 -0.56 0.00 0.00 39.33 38.71 2ppf h ASP 205 CO -0.02 0.91 -0.22 0.74 -1.57 0.00 0.00 179.24 179.08 2ppf h THR 206 N 1.05 1.35 -0.94 0.35 2.02 -0.56 -2.98 112.91 113.19 2ppf h THR 206 Ca 0.24 -1.42 0.12 0.00 0.77 0.00 0.00 66.41 66.12 2ppf h THR 206 Cb 0.24 1.88 -0.08 0.00 -1.74 0.00 0.00 68.15 68.44 2ppf h THR 206 CO -0.02 0.43 0.56 0.58 0.37 0.00 0.00 175.52 177.44 2ppf h VAL 207 N 0.09 0.88 -0.60 3.16 2.07 -1.08 0.85 116.25 121.62 2ppf h VAL 207 Ca 0.02 -0.30 0.07 0.00 0.82 0.00 0.00 66.70 67.31 2ppf h VAL 207 Cb 0.78 -0.08 -0.06 0.00 -1.52 0.00 0.00 31.29 30.42 2ppf h VAL 207 CO 0.05 0.16 0.29 0.50 0.02 0.00 0.00 177.57 178.59 2ppf h LYS 208 N 0.88 0.51 -0.36 1.57 3.64 -1.37 -0.96 116.57 120.48 2ppf h LYS 208 Ca 0.47 -0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 59.73 2ppf h LYS 208 Cb 0.50 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.20 2ppf h LYS 208 CO -0.28 0.34 -0.13 0.28 -2.27 0.00 0.00 179.45 177.39 2ppf h VAL 209 N 0.53 1.28 -0.93 2.00 2.07 -1.07 -2.93 116.25 117.20 2ppf h VAL 209 Ca 0.28 -1.22 0.10 0.00 0.82 0.00 0.00 66.70 66.68 2ppf h VAL 209 Cb 0.25 1.33 -0.08 0.00 -1.52 0.00 0.00 31.29 31.27 2ppf h VAL 209 CO -0.22 0.40 0.57 0.24 0.02 0.00 0.00 177.57 178.58 2ppf h MET 210 N 0.50 0.93 0.00 1.57 2.86 -0.50 -1.75 114.93 118.55 2ppf h MET 210 Ca 0.09 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.66 2ppf h MET 210 Cb 0.65 -0.21 -0.00 0.00 0.06 0.00 0.00 31.60 32.10 2ppf h MET 210 CO 0.04 0.62 -0.03 0.00 1.06 0.00 0.00 176.91 178.60 2ppf h ARG 211 N 0.96 0.00 0.00 1.72 3.08 -0.99 0.59 114.38 119.74 2ppf h ARG 211 Ca 0.44 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.49 2ppf h ARG 211 Cb 0.37 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.42 2ppf h ARG 211 CO -0.24 0.03 0.00 0.25 -1.07 0.00 0.00 179.97 178.94 2ppf n THR 212 N -3.21 0.77 -1.88 2.04 -2.24 -0.66 -4.89 114.28 104.21 2ppf n THR 212 Ca -0.01 0.14 -0.19 0.00 -2.27 0.00 0.00 64.05 61.71 2ppf n THR 212 Cb 0.21 -0.99 -0.05 0.00 -2.10 0.00 0.00 70.33 67.40 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 -2.03 -1.56 -3.90 3.22 4.77 0.20 -4.95 117.00 112.76 2ppf n LEU 213 Ca 0.03 0.31 -0.30 0.00 -0.03 0.00 0.00 56.01 56.01 2ppf n LEU 213 Cb 0.25 -2.73 -0.15 0.00 -2.33 0.00 0.00 43.42 38.46 2ppf n LEU 213 CO 0.20 -0.71 -0.35 -0.89 -1.33 0.00 0.00 177.39 174.32 2ppf s THR 214 N -2.76 1.61 0.56 -5.08 2.01 -1.26 -5.11 115.64 105.60 2ppf s THR 214 Ca 0.00 -1.78 -0.20 0.00 0.31 0.00 0.00 61.69 60.03 2ppf s THR 214 Cb 0.00 -2.14 -0.05 0.00 0.01 0.00 0.00 72.50 70.32 2ppf s THR 214 CO 0.00 -0.53 1.18 -2.16 -0.69 0.00 0.00 174.62 172.41 2ppf s PRO 215 N 1.26 3.23 0.19 4.92 0.04 -1.26 -4.91 135.00 138.47 2ppf s PRO 215 Ca 0.07 1.75 0.12 0.00 0.04 0.00 0.00 61.00 62.98 2ppf s PRO 215 Cb -0.18 -2.02 -0.07 0.00 0.04 0.00 0.00 34.50 32.27 2ppf s PRO 215 CO -0.14 -0.98 1.31 1.79 0.04 0.00 0.00 177.00 179.01 2ppf h THR 216 N 1.15 1.16 -3.71 1.26 1.35 -1.37 -3.46 112.91 109.28 2ppf h THR 216 Ca -0.50 -2.68 -0.21 0.00 -0.55 0.00 0.00 66.41 62.47 2ppf h THR 216 Cb 1.28 2.56 -0.26 0.00 -1.73 0.00 0.00 68.15 69.99 2ppf h THR 216 CO 0.56 0.66 -0.68 -1.00 -0.25 0.00 0.00 175.52 174.82 2ppf s HIS 217 N -2.85 0.02 -0.16 4.73 3.76 -1.15 -4.85 115.29 114.79 2ppf s HIS 217 Ca 0.02 -0.04 -0.02 0.00 -0.15 0.00 0.00 55.06 54.87 2ppf s HIS 217 Cb 0.09 -0.03 0.05 0.00 1.11 0.00 0.00 32.58 33.80 2ppf s HIS 217 CO 0.78 -0.06 0.01 0.08 -0.85 0.00 0.00 174.74 174.70 2ppf s VAL 218 N -0.31 0.60 0.08 -0.90 1.01 0.06 -1.06 120.40 119.86 2ppf s VAL 218 Ca -0.04 -0.42 0.03 0.00 0.00 0.00 0.00 61.98 61.55 2ppf s VAL 218 Cb -0.02 -0.97 -0.03 0.00 0.00 0.00 0.00 36.38 35.36 2ppf s VAL 218 CO -0.00 -0.05 -0.09 0.68 0.00 0.00 0.00 175.10 175.64 2ppf s VAL 219 N 1.84 0.79 -0.10 2.92 -7.23 -0.28 -0.42 120.40 117.93 2ppf s VAL 219 Ca 0.01 -1.51 -0.05 0.00 -1.81 0.00 0.00 61.98 58.62 2ppf s VAL 219 Cb -0.16 -1.18 -0.04 0.00 0.56 0.00 0.00 36.38 35.56 2ppf s VAL 219 CO -0.07 -0.54 0.11 -0.36 -0.31 0.00 0.00 175.10 173.93 2ppf s PHE 220 N -2.27 3.49 -1.45 2.82 0.08 -1.26 -0.45 117.98 118.94 2ppf s PHE 220 Ca 0.02 0.43 -0.08 0.00 0.12 0.00 0.00 56.93 57.41 2ppf s PHE 220 Cb -0.04 -1.89 0.04 0.00 -0.57 0.00 0.00 43.02 40.57 2ppf s PHE 220 CO -0.01 0.67 0.70 -1.71 -0.10 0.00 0.00 175.22 174.77 2ppf n ASN 221 N 1.86 -5.10 0.00 1.36 4.05 -0.75 -3.07 115.26 113.62 2ppf n ASN 221 Ca -0.18 -0.44 0.00 0.00 0.45 0.00 0.00 54.58 54.40 2ppf n ASN 221 Cb 0.54 -4.13 0.00 0.00 1.23 0.00 0.00 39.78 37.43 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 -1.49 1.59 3.49 8.20 0.00 -0.98 -4.78 105.19 111.22 2ppf n GLY 222 Ca -0.04 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.61 -1.73 0.16 4.61 0.00 -1.17 -4.58 121.76 116.43 2ppf s ALA 223 Ca 0.00 1.06 -0.34 0.00 0.00 0.00 0.00 51.96 52.68 2ppf s ALA 223 Cb 0.00 0.26 -0.14 0.00 0.00 0.00 0.00 23.12 23.24 2ppf s ALA 223 CO 0.00 -0.51 1.51 0.28 0.00 0.00 0.00 175.76 177.04 2ppf n VAL 224 N 0.42 0.14 -1.15 0.00 0.31 -0.01 -1.95 118.33 116.10 2ppf n VAL 224 Ca -0.17 -0.03 -0.05 0.00 -0.01 0.00 0.00 64.34 64.07 2ppf n VAL 224 Cb 0.60 -1.41 -0.02 0.00 -0.91 0.00 0.00 33.84 32.10 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 3.09 0.66 0.28 2.92 0.00 -1.26 -4.79 105.19 106.09 2ppf n GLY 225 Ca 0.16 -0.16 0.06 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 1.82 -1.40 4.61 0.00 -1.59 -2.75 119.26 119.94 2ppf h ALA 226 Ca -0.11 -0.03 -0.70 0.00 0.00 0.00 0.00 54.91 54.08 2ppf h ALA 226 Cb 0.71 -0.09 -0.33 0.00 0.00 0.00 0.00 17.79 18.08 2ppf h ALA 226 CO 0.15 0.16 0.30 1.28 0.00 0.00 0.00 179.25 181.15 2ppf n LEU 227 N -4.49 6.25 -4.28 0.00 4.77 -1.26 -4.74 117.00 113.24 2ppf n LEU 227 Ca 0.00 -5.19 -0.16 0.00 -0.03 0.00 0.00 56.01 50.63 2ppf n LEU 227 Cb 0.08 -0.84 -0.10 0.00 -2.33 0.00 0.00 43.42 40.24 2ppf n LEU 227 CO 0.35 2.05 -0.22 0.42 -1.33 0.00 0.00 177.39 178.66 2ppf s THR 228 N -4.96 0.26 0.00 -5.08 -4.23 -1.04 -1.12 115.64 99.47 2ppf s THR 228 Ca 0.48 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.99 2ppf s THR 228 Cb 0.35 -2.54 0.00 0.00 1.34 0.00 0.00 72.50 71.65 2ppf s THR 228 CO -0.25 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.44 2ppf n GLY 229 N -0.46 2.91 0.00 3.99 0.00 -1.26 -1.27 105.19 109.10 2ppf n GLY 229 Ca 0.02 -0.28 0.10 0.00 0.00 0.00 0.00 46.02 45.86 2ppf n GLY 229 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2ppf n ASP 230 N 4.14 0.00 -0.80 1.61 5.75 -1.26 -1.75 116.55 124.24 2ppf n ASP 230 Ca 0.00 -0.23 0.07 0.00 -0.01 0.00 0.00 54.79 54.62 2ppf n ASP 230 Cb 0.00 -0.18 0.18 0.00 -1.03 0.00 0.00 41.12 40.09 2ppf n ASP 230 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2ppf n LYS 231 N -1.18 2.63 -1.74 0.11 4.76 -0.40 -5.00 118.16 117.34 2ppf n LYS 231 Ca 0.12 -2.12 -0.39 0.00 -2.87 0.00 0.00 58.31 53.05 2ppf n LYS 231 Cb 0.13 -1.34 0.04 0.00 -1.84 0.00 0.00 35.03 32.02 2ppf n LYS 231 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2ppf n ALA 232 N 0.82 1.57 -1.45 7.82 0.00 -0.72 -3.89 120.51 124.66 2ppf n ALA 232 Ca 0.14 0.13 -0.32 0.00 0.00 0.00 0.00 53.44 53.39 2ppf n ALA 232 Cb 0.47 -2.35 0.06 0.00 0.00 0.00 0.00 19.45 17.62 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 -2.87 2.69 0.08 0.00 -1.94 -0.36 -4.84 119.30 112.06 2ppf s MET 233 Ca 0.71 1.23 0.05 0.00 -1.71 0.00 0.00 55.69 55.97 2ppf s MET 233 Cb -0.42 -1.95 -0.03 0.00 2.01 0.00 0.00 34.83 34.44 2ppf s MET 233 CO 0.49 -1.31 -0.15 0.95 -0.01 0.00 0.00 175.02 174.99 2ppf s THR 234 N -2.65 1.19 0.30 2.05 -4.23 -1.26 -0.56 115.64 110.48 2ppf s THR 234 Ca 0.63 -1.35 -0.08 0.00 -1.18 0.00 0.00 61.69 59.70 2ppf s THR 234 Cb -0.18 -1.15 0.03 0.00 1.34 0.00 0.00 72.50 72.55 2ppf s THR 234 CO 0.48 -0.22 0.55 0.00 -0.54 0.00 0.00 174.62 174.89 2ppf n ALA 235 N 1.22 -1.03 -2.46 3.99 0.00 -0.47 -4.92 120.51 116.83 2ppf n ALA 235 Ca -0.21 -1.09 -0.12 0.00 0.00 0.00 0.00 53.44 52.02 2ppf n ALA 235 Cb 0.54 0.87 -0.11 0.00 0.00 0.00 0.00 19.45 20.76 2ppf n ALA 235 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ppf s ALA 236 N -2.07 0.81 0.18 0.00 0.00 -1.26 -1.85 121.76 117.56 2ppf s ALA 236 Ca 0.16 -1.10 -0.33 0.00 0.00 0.00 0.00 51.96 50.69 2ppf s ALA 236 Cb -0.03 0.11 -0.14 0.00 0.00 0.00 0.00 23.12 23.06 2ppf s ALA 236 CO 0.12 -0.14 1.45 0.28 0.00 0.00 0.00 175.76 177.47 2ppf n VAL 237 N 0.60 0.38 0.00 0.00 0.31 -0.11 -0.88 118.33 118.64 2ppf n VAL 237 Ca -0.17 -0.10 0.00 0.00 -0.01 0.00 0.00 64.34 64.07 2ppf n VAL 237 Cb 0.58 -1.36 0.00 0.00 -0.91 0.00 0.00 33.84 32.16 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 2.76 2.09 3.73 2.92 0.00 0.76 -4.99 105.19 112.46 2ppf n GLY 238 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.63 4.66 -0.29 1.61 2.12 -0.06 -4.75 118.70 121.37 2ppf s GLU 239 Ca 0.00 1.58 -0.14 0.00 0.36 0.00 0.00 54.97 56.76 2ppf s GLU 239 Cb 0.00 -3.32 -0.03 0.00 0.26 0.00 0.00 34.13 31.03 2ppf s GLU 239 CO 0.00 0.18 0.34 0.15 -0.54 0.00 0.00 175.26 175.39 2ppf s LYS 240 N -0.27 3.91 -0.07 4.30 1.02 -1.26 -1.70 119.74 125.67 2ppf s LYS 240 Ca 0.48 -0.11 0.05 0.00 0.02 0.00 0.00 55.97 56.40 2ppf s LYS 240 Cb -0.26 -3.69 -0.00 0.00 -0.52 0.00 0.00 37.83 33.36 2ppf s LYS 240 CO 0.32 -0.31 -0.22 0.08 -0.92 0.00 0.00 175.35 174.30 2ppf s VAL 241 N 2.01 1.88 -0.21 3.17 1.01 0.25 -0.22 120.40 128.30 2ppf s VAL 241 Ca 0.13 -0.95 -0.09 0.00 0.00 0.00 0.00 61.98 61.07 2ppf s VAL 241 Cb -0.16 -1.61 -0.05 0.00 0.00 0.00 0.00 36.38 34.56 2ppf s VAL 241 CO 0.11 0.52 0.11 -0.22 0.00 0.00 0.00 175.10 175.62 2ppf s LEU 242 N 0.09 4.02 -0.29 3.92 2.96 -0.61 -1.31 118.68 127.46 2ppf s LEU 242 Ca -0.09 0.13 -0.01 0.00 -0.22 0.00 0.00 54.13 53.94 2ppf s LEU 242 Cb -0.15 -2.05 0.05 0.00 0.50 0.00 0.00 46.19 44.54 2ppf s LEU 242 CO 0.05 0.14 -0.02 -0.63 -1.32 0.00 0.00 176.35 174.57 2ppf s ILE 243 N 0.61 2.89 -0.03 6.68 1.01 0.49 -1.20 121.20 131.65 2ppf s ILE 243 Ca 0.06 -1.34 -0.19 0.00 0.00 0.00 0.00 60.65 59.18 2ppf s ILE 243 Cb -0.12 -2.63 -0.05 0.00 0.01 0.00 0.00 42.46 39.66 2ppf s ILE 243 CO 0.01 -0.05 0.54 -0.69 0.00 0.00 0.00 174.94 174.75 2ppf s VAL 244 N 1.25 4.99 -0.04 2.92 1.01 0.11 -1.46 120.40 129.17 2ppf s VAL 244 Ca -0.05 1.12 0.02 0.00 0.00 0.00 0.00 61.98 63.07 2ppf s VAL 244 Cb -0.19 -3.87 0.01 0.00 0.00 0.00 0.00 36.38 32.33 2ppf s VAL 244 CO -0.02 0.42 -0.07 -2.28 0.00 0.00 0.00 175.10 173.15 2ppf s HIS 245 N -0.13 0.95 0.15 5.22 2.46 -0.18 -0.31 115.29 123.44 2ppf s HIS 245 Ca 0.29 -0.28 0.07 0.00 0.47 0.00 0.00 55.06 55.60 2ppf s HIS 245 Cb -0.17 -0.75 -0.04 0.00 -0.13 0.00 0.00 32.58 31.49 2ppf s HIS 245 CO 0.15 -0.18 -0.15 -1.54 -2.47 0.00 0.00 174.74 170.55 2ppf s SER 246 N 0.65 2.27 -0.24 9.88 1.04 -0.79 -0.75 113.70 125.76 2ppf s SER 246 Ca -0.10 -0.87 -0.03 0.00 0.48 0.00 0.00 55.95 55.43 2ppf s SER 246 Cb -0.13 -0.10 0.13 0.00 0.10 0.00 0.00 66.02 66.02 2ppf s SER 246 CO 0.01 -0.13 0.35 -1.58 0.98 0.00 0.00 173.24 172.87 2ppf s GLN 247 N -2.90 0.32 0.32 4.02 -0.44 -0.73 -1.43 119.66 118.81 2ppf s GLN 247 Ca 0.13 0.45 0.26 0.00 -2.50 0.00 0.00 55.36 53.70 2ppf s GLN 247 Cb -0.04 -0.61 0.75 0.00 -1.64 0.00 0.00 33.01 31.47 2ppf s GLN 247 CO 0.04 -0.67 1.74 0.00 0.50 0.00 0.00 175.29 176.91 2ppf h ALA 248 N 8.21 1.00 0.00 1.58 0.00 -1.81 0.22 119.26 128.46 2ppf h ALA 248 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.72 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 0.28 0.00 -0.48 -1.71 0.00 0.00 0.00 179.25 177.33 2ppf n ASN 249 N -2.58 2.41 -3.76 0.00 5.15 -1.26 -2.92 115.26 112.30 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 0.42 0.45 -0.09 0.00 -0.53 0.00 0.00 39.78 40.02 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 -1.04 0.59 0.62 1.20 3.52 -1.26 -4.66 118.95 117.92 2ppf s ARG 250 Ca 0.00 -0.02 -0.19 0.00 -0.13 0.00 0.00 55.73 55.40 2ppf s ARG 250 Cb 0.00 0.27 -0.02 0.00 -1.56 0.00 0.00 34.95 33.64 2ppf s ARG 250 CO 0.00 -0.14 1.30 -0.25 -0.81 0.00 0.00 175.30 175.39 2ppf n ASP 251 N 1.72 2.17 -4.16 -2.12 10.43 -1.26 -3.59 116.55 119.74 2ppf n ASP 251 Ca -0.19 0.86 -0.10 0.00 2.57 0.00 0.00 54.79 57.93 2ppf n ASP 251 Cb 0.56 -1.56 -0.10 0.00 1.84 0.00 0.00 41.12 41.87 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 -1.37 0.18 -0.43 -3.53 -1.32 -0.32 -4.84 115.64 104.01 2ppf s THR 252 Ca 0.80 -1.91 0.03 0.00 -1.21 0.00 0.00 61.69 59.40 2ppf s THR 252 Cb -0.39 -2.02 0.16 0.00 -1.51 0.00 0.00 72.50 68.74 2ppf s THR 252 CO 0.42 -0.50 0.32 0.00 -2.21 0.00 0.00 174.62 172.66 2ppf s ARG 253 N -4.02 1.02 0.50 7.08 1.70 -1.26 -1.39 118.95 122.57 2ppf s ARG 253 Ca 0.23 -2.07 -0.23 0.00 -0.47 0.00 0.00 55.73 53.19 2ppf s ARG 253 Cb 0.07 -1.66 -0.06 0.00 -0.57 0.00 0.00 34.95 32.73 2ppf s ARG 253 CO 0.01 -1.33 1.27 -2.14 -1.08 0.00 0.00 175.30 172.03 2ppf s PRO 254 N 0.13 3.48 -0.18 3.89 0.02 -1.05 -0.39 135.00 140.90 2ppf s PRO 254 Ca 0.28 2.02 -0.10 0.00 0.02 0.00 0.00 61.00 63.23 2ppf s PRO 254 Cb -0.04 -2.36 0.06 0.00 0.02 0.00 0.00 34.50 32.18 2ppf s PRO 254 CO -0.14 -0.85 0.43 -1.58 -0.33 0.00 0.00 177.00 174.53 2ppf s HIS 255 N -1.41 -0.64 -0.52 6.54 2.46 -0.28 -1.51 115.29 119.93 2ppf s HIS 255 Ca 0.67 1.35 -0.19 0.00 0.47 0.00 0.00 55.06 57.37 2ppf s HIS 255 Cb -0.35 0.29 0.07 0.00 -0.13 0.00 0.00 32.58 32.46 2ppf s HIS 255 CO 0.42 -0.36 0.61 -1.17 -2.47 0.00 0.00 174.74 171.76 2ppf s LEU 256 N 1.48 5.15 -0.17 8.88 2.96 -1.26 -0.85 118.68 134.86 2ppf s LEU 256 Ca -0.09 -1.07 -0.29 0.00 -0.22 0.00 0.00 54.13 52.45 2ppf s LEU 256 Cb -0.08 -2.38 -0.03 0.00 0.50 0.00 0.00 46.19 44.20 2ppf s LEU 256 CO -0.13 -0.90 1.52 -0.63 -1.32 0.00 0.00 176.35 174.88 2ppf s ILE 257 N 2.49 3.84 0.00 6.68 1.01 0.18 -1.04 121.20 134.37 2ppf s ILE 257 Ca 0.13 0.98 0.00 0.00 0.00 0.00 0.00 60.65 61.76 2ppf s ILE 257 Cb -0.21 -3.75 0.00 0.00 0.01 0.00 0.00 42.46 38.51 2ppf s ILE 257 CO 0.10 -0.21 0.00 0.61 0.00 0.00 0.00 174.94 175.44 2ppf n GLY 258 N 4.25 1.04 0.00 6.18 0.00 -1.26 -3.39 105.19 112.01 2ppf n GLY 258 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 -1.72 5.41 3.62 -0.02 0.00 -0.20 -5.00 105.19 107.28 2ppf n GLY 259 Ca 0.00 -1.53 -0.10 0.00 0.00 0.00 0.00 46.02 44.39 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 1.34 0.41 -0.49 1.61 0.09 -1.26 -4.74 115.29 112.25 2ppf s HIS 260 Ca 0.00 -0.80 -0.14 0.00 -0.00 0.00 0.00 55.06 54.12 2ppf s HIS 260 Cb 0.00 0.27 0.10 0.00 -0.00 0.00 0.00 32.58 32.95 2ppf s HIS 260 CO 0.00 -1.12 0.41 0.20 -0.00 0.00 0.00 174.74 174.24 2ppf s GLY 261 N -3.06 2.05 0.17 -2.22 0.00 -0.26 -4.75 107.32 99.25 2ppf s GLY 261 Ca 0.22 -2.31 -0.13 0.00 0.00 0.00 0.00 44.72 42.49 2ppf s GLY 261 CO 0.11 1.10 1.77 -0.55 0.00 0.00 0.00 173.10 175.54 2ppf h ASP 262 N 8.73 0.71 -3.39 1.64 3.32 -1.42 0.61 116.42 126.62 2ppf h ASP 262 Ca -0.28 -0.10 -0.46 0.00 0.02 0.00 0.00 57.03 56.21 2ppf h ASP 262 Cb 1.10 -0.18 -0.34 0.00 0.22 0.00 0.00 39.33 40.12 2ppf h ASP 262 CO 0.92 0.61 -0.79 -0.31 -1.72 0.00 0.00 179.24 177.95 2ppf s TYR 263 N -5.81 1.08 -0.15 4.55 1.51 -0.89 -1.90 117.35 115.75 2ppf s TYR 263 Ca -0.13 -0.39 -0.00 0.00 -1.01 0.00 0.00 57.07 55.54 2ppf s TYR 263 Cb 0.12 -0.89 0.03 0.00 -0.11 0.00 0.00 41.96 41.12 2ppf s TYR 263 CO 0.77 -0.28 -0.08 0.08 -1.11 0.00 0.00 175.55 174.93 2ppf s VAL 264 N 1.02 1.19 -1.12 0.71 1.01 0.95 -0.36 120.40 123.81 2ppf s VAL 264 Ca -0.09 -0.54 -0.17 0.00 0.00 0.00 0.00 61.98 61.19 2ppf s VAL 264 Cb -0.14 -1.26 0.13 0.00 0.00 0.00 0.00 36.38 35.11 2ppf s VAL 264 CO -0.00 0.27 1.39 0.26 0.00 0.00 0.00 175.10 177.02 2ppf s TRP 265 N 1.62 3.19 0.36 5.22 0.51 0.29 -0.77 118.94 129.35 2ppf s TRP 265 Ca 0.03 -1.72 0.08 0.00 -2.12 0.00 0.00 56.10 52.36 2ppf s TRP 265 Cb -0.14 -4.41 0.68 0.00 -0.81 0.00 0.00 33.47 28.79 2ppf s TRP 265 CO -0.08 -1.53 1.86 0.00 -0.51 0.00 0.00 176.95 176.68 2ppf h ALA 266 N 7.95 1.39 -0.00 0.98 0.00 -1.89 0.11 119.26 127.80 2ppf h ALA 266 Ca 0.28 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2ppf h ALA 266 Cb 0.93 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.62 2ppf h ALA 266 CO 1.25 0.42 -0.08 0.25 0.00 0.00 0.00 179.25 181.10 2ppf n THR 267 N -4.22 0.00 -0.94 0.00 -2.24 -1.26 -4.54 114.28 101.09 2ppf n THR 267 Ca -0.01 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 2ppf n THR 267 Cb 0.31 -0.36 0.00 0.00 -2.10 0.00 0.00 70.33 68.18 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 1.44 0.89 3.35 3.38 0.00 -0.02 -4.76 105.19 109.48 2ppf n GLY 268 Ca 0.09 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.06 3.44 0.40 1.61 -0.14 -1.26 -0.09 119.74 123.64 2ppf s LYS 269 Ca 0.00 -0.60 0.27 0.00 -1.36 0.00 0.00 55.97 54.28 2ppf s LYS 269 Cb 0.00 -2.98 0.89 0.00 -1.68 0.00 0.00 37.83 34.06 2ppf s LYS 269 CO 0.00 -0.09 1.79 0.74 -0.76 0.00 0.00 175.35 177.02 2ppf h PHE 270 N 7.78 0.00 -0.00 3.18 0.05 -1.75 -2.14 116.94 124.06 2ppf h PHE 270 Ca -0.38 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.41 2ppf h PHE 270 Cb 1.17 0.00 0.00 0.00 2.00 0.00 0.00 35.95 39.12 2ppf h PHE 270 CO 0.58 0.00 -0.10 0.09 -0.18 0.00 0.00 178.31 178.69 2ppf n ASN 271 N -2.78 0.30 -4.57 2.17 3.02 -1.26 -4.62 115.26 107.52 2ppf n ASN 271 Ca 0.03 -0.30 -0.41 0.00 -0.03 0.00 0.00 54.58 53.87 2ppf n ASN 271 Cb 0.38 -0.15 -0.08 0.00 -0.61 0.00 0.00 39.78 39.32 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 -2.61 5.05 0.40 3.41 2.01 -0.81 -5.05 115.64 118.05 2ppf s THR 272 Ca 0.25 0.42 -0.26 0.00 0.31 0.00 0.00 61.69 62.41 2ppf s THR 272 Cb 0.20 -3.90 -0.10 0.00 0.01 0.00 0.00 72.50 68.70 2ppf s THR 272 CO 0.50 -0.12 1.24 -2.65 -0.69 0.00 0.00 174.62 172.90 2ppf n PRO 273 N 5.63 1.88 -2.44 4.92 -0.02 -1.26 -4.83 135.00 138.89 2ppf n PRO 273 Ca -0.05 0.67 -0.35 0.00 -2.02 0.00 0.00 63.50 61.74 2ppf n PRO 273 Cb 0.49 -2.32 -0.02 0.00 -0.02 0.00 0.00 33.50 31.63 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 -2.10 3.73 0.67 0.52 0.04 -1.26 -4.94 135.00 131.65 2ppf s PRO 274 Ca 0.60 1.49 -0.13 0.00 0.04 0.00 0.00 61.00 63.00 2ppf s PRO 274 Cb -0.53 -2.17 0.00 0.00 0.04 0.00 0.00 34.50 31.84 2ppf s PRO 274 CO 0.59 -0.51 1.07 -0.51 0.04 0.00 0.00 177.00 177.68 2ppf s ASP 275 N -1.80 5.31 0.16 6.66 1.01 0.05 -4.77 116.67 123.29 2ppf s ASP 275 Ca 0.67 1.79 0.07 0.00 0.71 0.00 0.00 52.55 55.79 2ppf s ASP 275 Cb -0.20 -2.52 -0.04 0.00 1.01 0.00 0.00 42.92 41.16 2ppf s ASP 275 CO 0.24 -1.49 -0.15 0.68 0.21 0.00 0.00 175.17 174.66 2ppf s VAL 276 N -2.70 1.58 -1.57 -1.27 -7.23 -1.26 -0.03 120.40 107.92 2ppf s VAL 276 Ca 0.62 -1.94 -0.04 0.00 -1.81 0.00 0.00 61.98 58.81 2ppf s VAL 276 Cb -0.16 -1.79 0.01 0.00 0.56 0.00 0.00 36.38 35.00 2ppf s VAL 276 CO 0.47 -0.45 0.53 0.47 -0.31 0.00 0.00 175.10 175.81 2ppf n ASP 277 N 0.17 -5.98 -4.75 4.85 10.43 -0.80 -4.92 116.55 115.55 2ppf n ASP 277 Ca -0.12 -0.26 -0.41 0.00 2.57 0.00 0.00 54.79 56.57 2ppf n ASP 277 Cb 0.58 -4.85 -0.04 0.00 1.84 0.00 0.00 41.12 38.65 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 -5.65 4.54 -0.17 -1.24 -1.52 0.19 -4.84 119.66 110.97 2ppf s GLN 278 Ca 0.27 1.90 -0.23 0.00 -1.95 0.00 0.00 55.36 55.35 2ppf s GLN 278 Cb -0.12 -3.19 -0.22 0.00 -0.22 0.00 0.00 33.01 29.25 2ppf s GLN 278 CO 0.34 0.04 0.44 1.05 -0.25 0.00 0.00 175.29 176.90 2ppf h GLU 279 N 4.28 0.03 -3.25 2.91 4.11 -1.91 -0.68 114.58 120.07 2ppf h GLU 279 Ca -0.46 -0.05 -0.25 0.00 0.07 0.00 0.00 59.36 58.66 2ppf h GLU 279 Cb 1.21 0.02 -0.32 0.00 0.50 0.00 0.00 28.75 30.16 2ppf h GLU 279 CO 0.70 1.03 -0.61 0.99 0.07 0.00 0.00 179.01 181.18 2ppf s THR 280 N -2.33 -0.07 0.48 -1.06 2.01 -1.26 -4.37 115.64 109.04 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 0.03 -0.24 -0.00 0.00 0.01 0.00 0.00 72.50 72.30 2ppf s THR 280 CO 0.65 0.08 0.33 -1.66 -0.69 0.00 0.00 174.62 173.32 2ppf s TRP 281 N 1.28 2.16 -0.04 4.92 -2.14 -0.57 -4.97 118.94 119.57 2ppf s TRP 281 Ca -0.08 -0.69 0.01 0.00 2.66 0.00 0.00 56.10 57.99 2ppf s TRP 281 Cb -0.12 -1.98 0.02 0.00 -3.10 0.00 0.00 33.47 28.30 2ppf s TRP 281 CO -0.06 -0.19 -0.04 0.12 -2.66 0.00 0.00 176.95 174.12 2ppf s PHE 282 N -2.66 0.70 -0.19 1.66 5.36 -1.26 -2.52 117.98 119.06 2ppf s PHE 282 Ca 0.38 -0.18 0.01 0.00 -0.96 0.00 0.00 56.93 56.18 2ppf s PHE 282 Cb -0.01 -0.65 0.04 0.00 -0.34 0.00 0.00 43.02 42.07 2ppf s PHE 282 CO 0.23 -0.19 -0.11 0.42 -1.46 0.00 0.00 175.22 174.10 2ppf s ILE 283 N 0.99 1.64 0.51 3.12 1.01 -0.49 -4.72 121.20 123.27 2ppf s ILE 283 Ca -0.10 -0.94 -0.20 0.00 0.00 0.00 0.00 60.65 59.41 2ppf s ILE 283 Cb -0.14 -1.68 -0.07 0.00 0.01 0.00 0.00 42.46 40.58 2ppf s ILE 283 CO -0.00 0.23 1.07 -2.16 0.00 0.00 0.00 174.94 174.08 2ppf s PRO 284 N 1.41 3.61 0.22 2.79 0.04 -1.26 -1.18 135.00 140.63 2ppf s PRO 284 Ca -0.00 1.44 -0.31 0.00 0.04 0.00 0.00 61.00 62.17 2ppf s PRO 284 Cb -0.16 -2.06 -0.14 0.00 0.04 0.00 0.00 34.50 32.18 2ppf s PRO 284 CO -0.09 -0.60 1.29 0.41 0.04 0.00 0.00 177.00 178.05 2ppf n GLY 285 N -0.15 0.44 0.76 0.56 0.00 -1.24 -2.21 105.19 103.35 2ppf n GLY 285 Ca 0.10 0.49 0.00 0.00 0.00 0.00 0.00 46.02 46.61 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 1.99 0.77 3.23 -0.02 0.00 0.75 -4.74 105.19 107.17 2ppf n GLY 286 Ca 0.12 -0.36 -0.09 0.00 0.00 0.00 0.00 46.02 45.69 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 0.24 0.17 4.61 0.00 -0.94 -4.75 121.76 119.09 2ppf s ALA 287 Ca 0.00 -1.02 0.10 0.00 0.00 0.00 0.00 51.96 51.05 2ppf s ALA 287 Cb 0.00 0.71 -0.04 0.00 0.00 0.00 0.00 23.12 23.79 2ppf s ALA 287 CO 0.00 -0.54 -0.19 0.00 0.00 0.00 0.00 175.76 175.03 2ppf s ALA 288 N -3.96 2.68 0.23 0.00 0.00 -1.26 -1.78 121.76 117.67 2ppf s ALA 288 Ca 0.15 -1.53 0.01 0.00 0.00 0.00 0.00 51.96 50.58 2ppf s ALA 288 Cb 0.05 -0.51 -0.05 0.00 0.00 0.00 0.00 23.12 22.61 2ppf s ALA 288 CO -0.03 0.47 0.09 0.20 0.00 0.00 0.00 175.76 176.49 2ppf s GLY 289 N -2.61 1.59 -0.08 0.00 0.00 0.07 -3.15 107.32 103.15 2ppf s GLY 289 Ca 0.21 -1.79 -0.06 0.00 0.00 0.00 0.00 44.72 43.08 2ppf s GLY 289 CO 0.11 -1.54 0.21 0.00 0.00 0.00 0.00 173.10 171.89 2ppf s ALA 290 N -3.84 -0.50 -0.02 3.20 0.00 -0.95 -1.01 121.76 118.64 2ppf s ALA 290 Ca 0.36 0.72 0.06 0.00 0.00 0.00 0.00 51.96 53.11 2ppf s ALA 290 Cb 0.07 -0.44 -0.02 0.00 0.00 0.00 0.00 23.12 22.74 2ppf s ALA 290 CO 0.12 -0.13 -0.21 0.00 0.00 0.00 0.00 175.76 175.53 2ppf s ALA 291 N 0.57 1.74 -0.15 0.00 0.00 -0.53 -0.55 121.76 122.84 2ppf s ALA 291 Ca -0.04 -0.90 -0.01 0.00 0.00 0.00 0.00 51.96 51.01 2ppf s ALA 291 Cb -0.05 -0.45 -0.01 0.00 0.00 0.00 0.00 23.12 22.60 2ppf s ALA 291 CO -0.03 0.42 -0.11 0.12 0.00 0.00 0.00 175.76 176.16 2ppf s PHE 292 N -0.45 2.86 -0.03 0.00 2.19 0.52 -0.38 117.98 122.69 2ppf s PHE 292 Ca 0.07 -0.68 -0.03 0.00 0.33 0.00 0.00 56.93 56.62 2ppf s PHE 292 Cb -0.08 -1.91 0.01 0.00 -1.31 0.00 0.00 43.02 39.73 2ppf s PHE 292 CO -0.00 -0.26 0.08 -0.47 1.83 0.00 0.00 175.22 176.39 2ppf s TYR 293 N 0.57 -0.08 -0.31 10.12 5.04 -0.43 -1.13 117.35 131.13 2ppf s TYR 293 Ca -0.07 0.20 -0.10 0.00 -2.44 0.00 0.00 57.07 54.66 2ppf s TYR 293 Cb -0.15 0.03 -0.01 0.00 0.35 0.00 0.00 41.96 42.17 2ppf s TYR 293 CO 0.03 -0.05 0.17 0.99 -1.34 0.00 0.00 175.55 175.35 2ppf s THR 294 N -0.02 4.82 0.34 4.34 2.01 -1.26 -0.58 115.64 125.28 2ppf s THR 294 Ca -0.01 -0.31 -0.29 0.00 0.31 0.00 0.00 61.69 61.40 2ppf s THR 294 Cb -0.01 -3.44 -0.10 0.00 0.01 0.00 0.00 72.50 68.96 2ppf s THR 294 CO 0.00 0.08 1.34 -0.36 -0.69 0.00 0.00 174.62 174.99 2ppf s PHE 295 N 1.65 2.97 0.00 4.92 0.40 -0.69 -4.87 117.98 122.36 2ppf s PHE 295 Ca 0.05 1.35 0.00 0.00 -0.60 0.00 0.00 56.93 57.74 2ppf s PHE 295 Cb -0.17 -3.75 0.00 0.00 0.51 0.00 0.00 43.02 39.61 2ppf s PHE 295 CO 0.08 -2.09 0.00 1.04 0.70 0.00 0.00 175.22 174.94 2ppf n GLN 296 N 0.81 4.56 -4.26 0.44 1.13 -1.26 -0.17 117.38 118.63 2ppf n GLN 296 Ca 0.00 0.00 -0.17 0.00 -1.94 0.00 0.00 57.00 54.89 2ppf n GLN 296 Cb 0.41 -0.57 -0.14 0.00 0.11 0.00 0.00 30.24 30.05 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 -1.10 0.63 0.83 -1.09 -1.52 -1.26 -4.66 119.66 111.49 2ppf s GLN 297 Ca 0.00 -0.40 -0.12 0.00 -1.95 0.00 0.00 55.36 52.88 2ppf s GLN 297 Cb 0.00 -0.59 0.09 0.00 -0.22 0.00 0.00 33.01 32.30 2ppf s GLN 297 CO 0.00 0.15 1.20 -1.25 -0.25 0.00 0.00 175.29 175.14 2ppf s PRO 298 N -0.51 1.81 0.00 2.91 0.04 -1.26 -4.77 135.00 133.22 2ppf s PRO 298 Ca 0.01 0.06 0.00 0.00 0.04 0.00 0.00 61.00 61.10 2ppf s PRO 298 Cb -0.05 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.56 2ppf s PRO 298 CO 0.00 -1.69 0.00 0.41 0.04 0.00 0.00 177.00 175.76 2ppf n GLY 299 N -3.36 0.07 3.75 0.56 0.00 0.31 -4.94 105.19 101.58 2ppf n GLY 299 Ca 0.09 -2.26 -0.36 0.00 0.00 0.00 0.00 46.02 43.49 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 5.34 0.15 -0.61 -1.09 -1.26 -0.95 121.20 122.77 2ppf s ILE 300 Ca 0.00 0.44 0.09 0.00 -2.23 0.00 0.00 60.65 58.94 2ppf s ILE 300 Cb 0.00 -3.57 -0.04 0.00 -1.58 0.00 0.00 42.46 37.27 2ppf s ILE 300 CO 0.00 0.43 -0.13 -0.31 -1.23 0.00 0.00 174.94 173.71 2ppf s TYR 301 N 0.22 2.61 -0.13 3.97 1.51 -0.31 -4.97 117.35 120.24 2ppf s TYR 301 Ca 0.14 -0.23 -0.01 0.00 -1.01 0.00 0.00 57.07 55.97 2ppf s TYR 301 Cb -0.13 -1.32 -0.02 0.00 -0.11 0.00 0.00 41.96 40.38 2ppf s TYR 301 CO 0.03 0.46 -0.11 0.00 -1.11 0.00 0.00 175.55 174.82 2ppf s ALA 302 N -1.45 2.72 -0.24 3.71 0.00 -1.22 -1.18 121.76 124.09 2ppf s ALA 302 Ca 0.22 -0.87 -0.07 0.00 0.00 0.00 0.00 51.96 51.24 2ppf s ALA 302 Cb -0.10 -1.30 -0.02 0.00 0.00 0.00 0.00 23.12 21.70 2ppf s ALA 302 CO 0.13 0.25 0.05 -0.47 0.00 0.00 0.00 175.76 175.72 2ppf s TYR 303 N 0.32 3.06 0.13 0.00 5.04 0.43 0.52 117.35 126.84 2ppf s TYR 303 Ca -0.09 -0.52 0.02 0.00 -2.44 0.00 0.00 57.07 54.04 2ppf s TYR 303 Cb -0.15 -2.21 -0.04 0.00 0.35 0.00 0.00 41.96 39.90 2ppf s TYR 303 CO 0.05 -0.39 -0.05 0.14 -1.34 0.00 0.00 175.55 173.96 2ppf s VAL 304 N 1.59 0.72 -0.21 3.14 -7.23 -0.03 -0.51 120.40 117.86 2ppf s VAL 304 Ca 0.06 -1.96 -0.29 0.00 -1.81 0.00 0.00 61.98 57.98 2ppf s VAL 304 Cb -0.15 -1.84 0.01 0.00 0.56 0.00 0.00 36.38 34.96 2ppf s VAL 304 CO 0.02 -0.73 1.04 0.21 -0.31 0.00 0.00 175.10 175.33 2ppf s ASN 305 N -3.09 7.11 -0.11 4.85 3.84 -0.98 -1.13 114.94 125.44 2ppf s ASN 305 Ca 0.16 1.41 0.02 0.00 0.21 0.00 0.00 52.86 54.66 2ppf s ASN 305 Cb 0.05 -2.54 0.20 0.00 -0.55 0.00 0.00 41.25 38.41 2ppf s ASN 305 CO -0.02 -0.64 1.13 1.57 -2.79 0.00 0.00 177.10 176.35 2ppf n HIS 306 N 6.16 0.78 -2.79 0.43 -0.00 0.48 -3.81 115.22 116.46 2ppf n HIS 306 Ca 0.12 -0.67 -0.43 0.00 -0.00 0.00 0.00 57.72 56.74 2ppf n HIS 306 Cb 0.46 -0.37 -0.04 0.00 -0.00 0.00 0.00 29.99 30.04 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 0.17 6.36 0.59 0.26 3.84 -1.26 -4.92 114.94 119.98 2ppf s ASN 307 Ca 0.16 -0.26 0.38 0.00 0.21 0.00 0.00 52.86 53.34 2ppf s ASN 307 Cb 0.13 -2.46 1.76 0.00 -0.55 0.00 0.00 41.25 40.13 2ppf s ASN 307 CO 0.04 -1.27 2.13 -0.07 -2.79 0.00 0.00 177.10 175.14 2ppf h LEU 308 N 11.12 0.00 -0.15 3.21 3.38 -1.99 0.89 115.31 131.77 2ppf h LEU 308 Ca -0.26 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.66 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 1.10 0.00 -0.09 0.40 0.09 0.00 0.00 178.44 179.94 2ppf h ILE 309 N 0.00 1.32 -0.83 1.22 2.04 -1.91 -0.64 117.51 118.71 2ppf h ILE 309 Ca -0.00 -1.17 -0.00 0.00 1.00 0.00 0.00 64.86 64.69 2ppf h ILE 309 Cb 0.33 1.76 -0.04 0.00 -0.74 0.00 0.00 36.82 38.13 2ppf h ILE 309 CO 0.00 0.34 0.51 -0.33 0.00 0.00 0.00 178.15 178.67 2ppf h GLU 310 N -0.01 1.12 0.05 2.37 5.08 -1.24 0.78 114.58 122.73 2ppf h GLU 310 Ca 0.03 -0.10 -0.00 0.00 -1.00 0.00 0.00 59.36 58.29 2ppf h GLU 310 Cb 0.58 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.60 2ppf h GLU 310 CO 0.03 0.78 -0.02 0.00 -1.00 0.00 0.00 179.01 178.79 2ppf h ALA 311 N 1.27 -0.07 0.00 3.43 0.00 -0.86 -1.57 119.26 121.46 2ppf h ALA 311 Ca 0.30 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2ppf h ALA 311 Cb -0.06 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2ppf h ALA 311 CO -0.06 -0.39 -1.47 1.19 0.00 0.00 0.00 179.25 178.52 2ppf n PHE 312 N -4.98 0.00 -0.11 0.00 3.01 -0.26 -1.98 117.46 113.14 2ppf n PHE 312 Ca -0.08 0.00 -0.18 0.00 1.01 0.00 0.00 57.45 58.20 2ppf n PHE 312 Cb 0.18 -0.26 -0.13 0.00 -0.01 0.00 0.00 39.48 39.26 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 -1.87 0.67 -0.00 -1.08 -0.58 0.18 -4.73 120.64 113.23 2ppf n GLU 313 Ca -0.02 0.15 0.10 0.00 -0.42 0.00 0.00 57.16 56.98 2ppf n GLU 313 Cb 0.33 -1.55 -0.12 0.00 -0.57 0.00 0.00 31.44 29.53 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 -3.24 0.80 0.00 -4.62 4.77 -0.69 -5.01 117.00 109.02 2ppf n LEU 314 Ca -0.43 -0.39 0.00 0.00 -0.03 0.00 0.00 56.01 55.16 2ppf n LEU 314 Cb 1.01 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.10 2ppf n LEU 314 CO 0.30 0.20 0.00 0.61 -1.33 0.00 0.00 177.39 177.17 2ppf n GLY 315 N 1.45 1.02 2.67 -0.72 0.00 -0.67 -0.76 105.19 108.18 2ppf n GLY 315 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 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 6.09 -3.65 4.61 0.00 0.45 -4.30 120.51 123.71 2ppf n ALA 316 Ca 0.00 -4.15 -0.13 0.00 0.00 0.00 0.00 53.44 49.15 2ppf n ALA 316 Cb 0.00 -2.95 -0.14 0.00 0.00 0.00 0.00 19.45 16.36 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 0.03 -0.32 0.33 0.00 0.00 -1.24 -2.31 121.76 118.25 2ppf s ALA 317 Ca 0.48 0.69 0.07 0.00 0.00 0.00 0.00 51.96 53.19 2ppf s ALA 317 Cb 0.14 -0.45 -0.07 0.00 0.00 0.00 0.00 23.12 22.74 2ppf s ALA 317 CO -0.04 -0.15 -0.02 0.00 0.00 0.00 0.00 175.76 175.54 2ppf s ALA 318 N 1.04 2.63 0.11 0.00 0.00 0.33 -4.47 121.76 121.40 2ppf s ALA 318 Ca -0.08 -2.06 0.10 0.00 0.00 0.00 0.00 51.96 49.92 2ppf s ALA 318 Cb -0.10 0.25 -0.04 0.00 0.00 0.00 0.00 23.12 23.24 2ppf s ALA 318 CO -0.06 -0.11 -0.24 -1.01 0.00 0.00 0.00 175.76 174.34 2ppf s HIS 319 N -2.94 2.07 -0.07 0.00 3.76 -0.28 -0.43 115.29 117.40 2ppf s HIS 319 Ca 0.33 -0.40 0.01 0.00 -0.15 0.00 0.00 55.06 54.85 2ppf s HIS 319 Cb 0.06 -1.13 -0.03 0.00 1.11 0.00 0.00 32.58 32.59 2ppf s HIS 319 CO 0.15 0.27 -0.09 -0.06 -0.85 0.00 0.00 174.74 174.16 2ppf s PHE 320 N -1.10 2.86 -0.22 1.40 0.08 -0.33 -1.23 117.98 119.45 2ppf s PHE 320 Ca 0.10 -0.10 -0.08 0.00 0.12 0.00 0.00 56.93 56.98 2ppf s PHE 320 Cb -0.10 -1.71 -0.04 0.00 -0.57 0.00 0.00 43.02 40.60 2ppf s PHE 320 CO 0.05 0.22 0.07 0.15 -0.10 0.00 0.00 175.22 175.62 2ppf s LYS 321 N -0.62 3.81 -0.11 0.44 1.02 0.28 -1.17 119.74 123.39 2ppf s LYS 321 Ca 0.09 -0.41 0.02 0.00 0.02 0.00 0.00 55.97 55.69 2ppf s LYS 321 Cb -0.11 -3.29 0.02 0.00 -0.52 0.00 0.00 37.83 33.92 2ppf s LYS 321 CO 0.02 0.02 -0.15 0.08 -0.92 0.00 0.00 175.35 174.39 2ppf s VAL 322 N 1.08 1.51 0.44 3.17 1.01 -0.13 -1.37 120.40 126.12 2ppf s VAL 322 Ca 0.04 -0.64 -0.03 0.00 0.00 0.00 0.00 61.98 61.35 2ppf s VAL 322 Cb -0.14 -1.39 -0.03 0.00 0.00 0.00 0.00 36.38 34.82 2ppf s VAL 322 CO 0.03 0.44 0.71 0.42 0.00 0.00 0.00 175.10 176.71 2ppf s THR 323 N 1.05 4.94 -2.87 3.92 -4.23 -0.77 -0.53 115.64 117.14 2ppf s THR 323 Ca -0.05 -0.03 0.00 0.00 -1.18 0.00 0.00 61.69 60.43 2ppf s THR 323 Cb -0.15 -3.85 0.00 0.00 1.34 0.00 0.00 72.50 69.84 2ppf s THR 323 CO -0.03 -0.74 0.00 0.61 -0.54 0.00 0.00 174.62 173.92 2ppf n GLY 324 N -2.11 0.70 3.74 3.99 0.00 -1.26 -0.93 105.19 109.32 2ppf n GLY 324 Ca -0.01 -2.08 -0.38 0.00 0.00 0.00 0.00 46.02 43.55 2ppf n GLY 324 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ppf s GLU 325 N -1.13 4.27 0.35 1.61 2.02 -1.26 -4.66 118.70 119.90 2ppf s GLU 325 Ca 0.00 0.38 -0.28 0.00 0.02 0.00 0.00 54.97 55.09 2ppf s GLU 325 Cb 0.00 -3.40 -0.10 0.00 0.10 0.00 0.00 34.13 30.73 2ppf s GLU 325 CO 0.00 0.25 1.31 -0.46 0.02 0.00 0.00 175.26 176.38 2ppf s TRP 326 N 0.34 2.98 -0.44 1.61 -0.11 -1.26 -4.45 118.94 117.61 2ppf s TRP 326 Ca 0.24 1.40 -0.07 0.00 1.22 0.00 0.00 56.10 58.89 2ppf s TRP 326 Cb -0.15 -3.69 0.11 0.00 -1.50 0.00 0.00 33.47 28.24 2ppf s TRP 326 CO 0.09 -1.95 0.28 1.21 -4.62 0.00 0.00 176.95 171.96 2ppf s ASN 327 N -0.53 5.52 0.37 5.86 3.84 -1.26 -4.96 114.94 123.78 2ppf s ASN 327 Ca 0.51 -1.88 0.27 0.00 0.21 0.00 0.00 52.86 51.97 2ppf s ASN 327 Cb -0.40 -1.94 0.89 0.00 -0.55 0.00 0.00 41.25 39.26 2ppf s ASN 327 CO 0.52 -0.61 1.78 0.44 -2.79 0.00 0.00 177.10 176.44 2ppf h ASP 328 N 8.30 0.00 -0.05 -4.21 5.19 -1.95 -2.49 116.42 121.21 2ppf h ASP 328 Ca -0.19 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.22 2ppf h ASP 328 Cb 1.07 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.57 2ppf h ASP 328 CO 0.78 0.00 0.02 -0.78 -3.12 0.00 0.00 179.24 176.15 2ppf h ASP 329 N 0.00 0.07 -0.50 6.45 -0.00 -2.02 -3.25 116.42 117.17 2ppf h ASP 329 Ca 0.00 -0.15 -0.09 0.00 -0.00 0.00 0.00 57.03 56.80 2ppf h ASP 329 Cb 0.64 -0.02 -0.02 0.00 -0.00 0.00 0.00 39.33 39.94 2ppf h ASP 329 CO 0.00 0.20 -0.02 -0.07 -0.00 0.00 0.00 179.24 179.35 2ppf h LEU 330 N -0.06 0.88 -7.06 2.28 3.38 -1.94 -3.45 115.31 109.35 2ppf h LEU 330 Ca 0.02 -0.32 -0.03 0.00 0.09 0.00 0.00 57.88 57.64 2ppf h LEU 330 Cb 0.15 -0.24 -0.22 0.00 0.09 0.00 0.00 40.66 40.44 2ppf h LEU 330 CO -0.00 0.99 -0.02 -0.32 0.09 0.00 0.00 178.44 179.18 2ppf s MET 331 N -4.97 0.68 -0.03 1.13 0.00 -0.96 -5.14 119.30 110.01 2ppf s MET 331 Ca -0.12 1.05 -0.07 0.00 0.00 0.00 0.00 55.69 56.55 2ppf s MET 331 Cb 0.12 0.20 0.01 0.00 0.00 0.00 0.00 34.83 35.15 2ppf s MET 331 CO 0.83 -0.13 0.16 -0.08 0.00 0.00 0.00 175.02 175.80 2ppf s THR 332 N 1.15 0.05 -0.71 10.11 -1.32 -1.25 -4.02 115.64 119.65 2ppf s THR 332 Ca -0.06 -0.40 -0.25 0.00 -1.21 0.00 0.00 61.69 59.77 2ppf s THR 332 Cb -0.05 -0.37 0.05 0.00 -1.51 0.00 0.00 72.50 70.62 2ppf s THR 332 CO -0.12 -0.22 1.12 -0.55 -2.21 0.00 0.00 174.62 172.64 2ppf s SER 333 N -0.79 6.18 0.17 8.08 0.15 -1.26 -4.88 113.70 121.35 2ppf s SER 333 Ca -0.09 -0.77 -0.09 0.00 0.70 0.00 0.00 55.95 55.70 2ppf s SER 333 Cb -0.05 -2.49 0.05 0.00 -1.71 0.00 0.00 66.02 61.82 2ppf s SER 333 CO 0.01 -1.62 1.56 0.58 1.20 0.00 0.00 173.24 174.97 2ppf h VAL 334 N 6.01 1.27 -3.20 4.45 2.07 -2.02 -3.40 116.25 121.44 2ppf h VAL 334 Ca -0.27 -1.40 -0.42 0.00 0.82 0.00 0.00 66.70 65.43 2ppf h VAL 334 Cb 1.06 1.18 -0.40 0.00 -1.52 0.00 0.00 31.29 31.61 2ppf h VAL 334 CO 1.23 0.48 -0.75 -0.22 0.02 0.00 0.00 177.57 178.33 2ppf s LEU 335 N -9.00 0.35 0.66 2.57 2.96 -1.26 -5.15 118.68 109.81 2ppf s LEU 335 Ca -0.11 -0.28 -0.15 0.00 -0.22 0.00 0.00 54.13 53.37 2ppf s LEU 335 Cb 0.12 -0.25 0.00 0.00 0.50 0.00 0.00 46.19 46.57 2ppf s LEU 335 CO 0.86 -0.29 1.12 0.00 -1.32 0.00 0.00 176.35 176.72 2ppf s ALA 336 N 2.11 2.45 -0.22 5.97 0.00 -1.26 -4.86 121.76 125.95 2ppf s ALA 336 Ca 0.03 0.58 -0.42 0.00 0.00 0.00 0.00 51.96 52.15 2ppf s ALA 336 Cb -0.14 -3.33 -0.18 0.00 0.00 0.00 0.00 23.12 19.47 2ppf s ALA 336 CO -0.06 -1.30 1.48 -2.30 0.00 0.00 0.00 175.76 173.58 2ppf n PRO 337 N -2.41 0.54 -3.64 0.00 -0.02 -1.26 -4.92 135.00 123.30 2ppf n PRO 337 Ca 0.11 0.20 -0.10 0.00 -2.02 0.00 0.00 63.50 61.68 2ppf n PRO 337 Cb 0.52 -1.77 -0.04 0.00 -0.02 0.00 0.00 33.50 32.19 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 2.04 -0.31 0.34 2.55 1.04 -1.26 -5.14 113.70 112.95 2ppf s SER 338 Ca 0.96 -0.33 -0.29 0.00 0.48 0.00 0.00 55.95 56.78 2ppf s SER 338 Cb -1.23 0.55 -0.12 0.00 0.10 0.00 0.00 66.02 65.33 2ppf s SER 338 CO 0.65 -0.97 1.49 0.61 0.98 0.00 0.00 173.24 176.01 2ppf n GLY 339 N -0.31 1.14 0.00 7.32 0.00 -1.26 -5.25 105.19 106.83 2ppf n GLY 339 Ca -0.13 0.37 0.06 0.00 0.00 0.00 0.00 46.02 46.32 2ppf n GLY 339 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02