#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ce6 s THR 12 N 0.00 0.89 0.46 -5.08 -4.23 -1.26 -5.13 115.64 101.29 3ce6 s THR 12 Ca 0.00 -1.21 -0.24 0.00 -1.18 0.00 0.00 61.69 59.06 3ce6 s THR 12 Cb 0.00 -0.89 -0.07 0.00 1.34 0.00 0.00 72.50 72.87 3ce6 s THR 12 CO 0.00 -0.28 1.30 -2.84 -0.54 0.00 0.00 174.62 172.26 3ce6 s PRO 13 N -1.67 3.68 0.47 3.99 0.02 -1.26 -5.00 135.00 135.23 3ce6 s PRO 13 Ca -0.05 2.12 -0.19 0.00 0.02 0.00 0.00 61.00 62.90 3ce6 s PRO 13 Cb -0.10 -2.54 -0.09 0.00 0.02 0.00 0.00 34.50 31.78 3ce6 s PRO 13 CO 0.02 -0.72 0.98 -0.51 -0.33 0.00 0.00 177.00 176.43 3ce6 s ASP 14 N -0.90 6.70 -0.07 2.53 1.01 0.55 -4.90 116.67 121.59 3ce6 s ASP 14 Ca 0.62 1.70 -0.01 0.00 0.71 0.00 0.00 52.55 55.58 3ce6 s ASP 14 Cb -0.37 -2.53 0.03 0.00 1.01 0.00 0.00 42.92 41.05 3ce6 s ASP 14 CO 0.46 -0.53 -0.02 -0.69 0.21 0.00 0.00 175.17 174.60 3ce6 s VAL 15 N -2.29 0.49 -0.03 -1.27 1.01 -1.26 -1.02 120.40 116.03 3ce6 s VAL 15 Ca 0.62 0.01 0.01 0.00 0.00 0.00 0.00 61.98 62.63 3ce6 s VAL 15 Cb -0.11 -0.60 0.01 0.00 0.00 0.00 0.00 36.38 35.69 3ce6 s VAL 15 CO 0.20 0.26 -0.06 -0.13 0.00 0.00 0.00 175.10 175.38 3ce6 s ARG 16 N 1.65 0.78 -1.73 2.72 1.81 0.04 -4.82 118.95 119.39 3ce6 s ARG 16 Ca 0.01 -0.16 -0.18 0.00 -1.72 0.00 0.00 55.73 53.67 3ce6 s ARG 16 Cb -0.13 -0.77 0.16 0.00 -0.45 0.00 0.00 34.95 33.77 3ce6 s ARG 16 CO -0.04 -0.00 0.68 -1.71 -0.68 0.00 0.00 175.30 173.55 3ce6 n ASN 17 N 3.67 -2.54 0.00 0.23 5.15 -1.26 -1.00 115.26 119.50 3ce6 n ASN 17 Ca -0.22 -1.09 0.00 0.00 -0.60 0.00 0.00 54.58 52.68 3ce6 n ASN 17 Cb 0.53 -2.42 0.00 0.00 -0.53 0.00 0.00 39.78 37.36 3ce6 n ASN 17 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3ce6 n GLY 18 N -1.40 0.99 3.62 8.20 0.00 -1.26 -4.96 105.19 110.38 3ce6 n GLY 18 Ca 0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.71 3ce6 n GLY 18 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ce6 s ILE 19 N -3.98 4.94 0.04 -0.61 1.01 -0.17 -5.08 121.20 117.34 3ce6 s ILE 19 Ca 0.00 0.03 -0.08 0.00 0.00 0.00 0.00 60.65 60.60 3ce6 s ILE 19 Cb 0.00 -3.27 -0.05 0.00 0.01 0.00 0.00 42.46 39.15 3ce6 s ILE 19 CO 0.00 0.40 0.32 1.51 0.00 0.00 0.00 174.94 177.17 3ce6 s ASP 20 N 0.80 6.56 0.01 3.58 -4.77 -1.26 -0.78 116.67 120.81 3ce6 s ASP 20 Ca 0.05 0.66 -0.30 0.00 -3.30 0.00 0.00 52.55 49.67 3ce6 s ASP 20 Cb -0.13 -2.13 0.11 0.00 -1.09 0.00 0.00 42.92 39.68 3ce6 s ASP 20 CO 0.02 0.22 1.19 0.72 0.70 0.00 0.00 175.17 178.02 3ce6 s PHE 21 N -1.33 -0.08 -0.23 2.11 -0.71 -0.19 -3.98 117.98 113.57 3ce6 s PHE 21 Ca 0.29 -0.06 -0.04 0.00 -1.04 0.00 0.00 56.93 56.09 3ce6 s PHE 21 Cb -0.14 0.57 0.13 0.00 -1.21 0.00 0.00 43.02 42.36 3ce6 s PHE 21 CO 0.17 -0.41 0.39 0.21 -1.34 0.00 0.00 175.22 174.24 3ce6 s LYS 22 N -2.65 0.34 0.26 1.99 2.47 0.11 -0.33 119.74 121.94 3ce6 s LYS 22 Ca 0.13 0.65 -0.04 0.00 -1.56 0.00 0.00 55.97 55.14 3ce6 s LYS 22 Cb 0.03 -0.29 -0.02 0.00 -1.46 0.00 0.00 37.83 36.09 3ce6 s LYS 22 CO -0.03 -0.56 0.34 0.96 0.16 0.00 0.00 175.35 176.22 3ce6 s ILE 23 N 2.56 0.00 0.01 5.43 -4.36 -1.26 -0.76 121.20 122.82 3ce6 s ILE 23 Ca 0.10 -1.72 -0.25 0.00 -0.26 0.00 0.00 60.65 58.52 3ce6 s ILE 23 Cb -0.15 -2.45 -0.17 0.00 1.25 0.00 0.00 42.46 40.95 3ce6 s ILE 23 CO -0.15 0.00 1.25 0.00 0.24 0.00 0.00 174.94 176.28 3ce6 h ALA 24 N 2.33 -0.37 -0.85 2.27 0.00 -1.89 -3.46 119.26 117.29 3ce6 h ALA 24 Ca -0.30 -0.18 0.11 0.00 0.00 0.00 0.00 54.91 54.54 3ce6 h ALA 24 Cb 1.25 0.14 -0.21 0.00 0.00 0.00 0.00 17.79 18.97 3ce6 h ALA 24 CO 0.42 -0.54 -0.22 0.34 0.00 0.00 0.00 179.25 179.26 3ce6 s ASP 25 N -5.12 -1.24 0.59 0.00 2.15 -1.26 -5.01 116.67 106.78 3ce6 s ASP 25 Ca -0.14 0.57 0.30 0.00 0.43 0.00 0.00 52.55 53.71 3ce6 s ASP 25 Cb 0.02 1.96 1.76 0.00 -0.30 0.00 0.00 42.92 46.36 3ce6 s ASP 25 CO 0.55 -0.23 2.18 0.25 -0.17 0.00 0.00 175.17 177.76 3ce6 h LEU 26 N 7.96 0.00 -0.53 -1.34 5.85 -1.94 -2.10 115.31 123.20 3ce6 h LEU 26 Ca -0.16 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.56 3ce6 h LEU 26 Cb 1.17 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.20 3ce6 h LEU 26 CO 0.16 0.00 0.00 -1.54 -0.34 0.00 0.00 178.44 176.72 3ce6 n SER 27 N -3.79 0.54 0.00 1.25 3.41 -1.26 -1.61 113.62 112.16 3ce6 n SER 27 Ca -0.01 0.63 0.08 0.00 -0.26 0.00 0.00 58.87 59.31 3ce6 n SER 27 Cb 0.20 -0.75 0.46 0.00 -0.26 0.00 0.00 64.21 63.87 3ce6 n SER 27 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3ce6 n LEU 28 N -2.09 0.00 -0.26 1.04 4.77 -0.79 -4.17 117.00 115.49 3ce6 n LEU 28 Ca 0.03 0.03 0.02 0.00 -0.03 0.00 0.00 56.01 56.06 3ce6 n LEU 28 Cb 0.23 -0.03 0.24 0.00 -2.33 0.00 0.00 43.42 41.53 3ce6 n LEU 28 CO 0.19 -0.02 1.25 0.00 -1.33 0.00 0.00 177.39 177.48 3ce6 h ALA 29 N 2.97 1.49 -0.45 -1.18 0.00 -1.52 -0.41 119.26 120.16 3ce6 h ALA 29 Ca 0.00 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.76 3ce6 h ALA 29 Cb 0.02 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 3ce6 h ALA 29 CO 0.00 0.43 -0.14 -0.44 0.00 0.00 0.00 179.25 179.09 3ce6 h ASP 30 N 1.03 0.90 -0.27 0.00 5.19 -1.85 0.50 116.42 121.91 3ce6 h ASP 30 Ca 0.33 -0.38 -0.07 0.00 -0.62 0.00 0.00 57.03 56.29 3ce6 h ASP 30 Cb 0.03 -0.25 -0.01 0.00 0.18 0.00 0.00 39.33 39.29 3ce6 h ASP 30 CO -0.10 1.07 -0.11 0.15 -3.12 0.00 0.00 179.24 177.13 3ce6 h PHE 31 N 0.73 0.64 -0.76 4.55 3.57 -1.76 -1.87 116.94 122.03 3ce6 h PHE 31 Ca 0.11 -0.15 0.07 0.00 3.53 0.00 0.00 57.97 61.52 3ce6 h PHE 31 Cb 0.69 -0.15 -0.06 0.00 2.79 0.00 0.00 35.95 39.22 3ce6 h PHE 31 CO 0.05 0.79 0.45 0.78 -2.23 0.00 0.00 178.31 178.15 3ce6 h GLY 32 N 0.30 1.14 1.02 2.40 0.00 -0.55 -2.44 103.07 104.95 3ce6 h GLY 32 Ca 0.06 -0.31 -0.01 0.00 0.00 0.00 0.00 47.33 47.07 3ce6 h GLY 32 CO 0.04 0.19 0.54 -0.09 0.00 0.00 0.00 176.54 177.21 3ce6 h ARG 33 N 0.80 1.25 -0.47 4.80 9.65 0.25 0.34 114.38 131.01 3ce6 h ARG 33 Ca 0.34 -0.12 0.01 0.00 -1.10 0.00 0.00 59.98 59.11 3ce6 h ARG 33 Cb 0.21 -0.26 -0.03 0.00 -1.39 0.00 0.00 29.97 28.50 3ce6 h ARG 33 CO -0.19 0.89 0.30 0.87 2.80 0.00 0.00 179.97 184.63 3ce6 h LYS 34 N 1.26 0.59 -0.41 0.20 1.57 -0.93 -0.18 116.57 118.67 3ce6 h LYS 34 Ca 0.33 -0.04 -0.14 0.00 -1.87 0.00 0.00 60.65 58.93 3ce6 h LYS 34 Cb -0.03 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.13 3ce6 h LYS 34 CO -0.06 0.39 -0.29 0.93 -0.57 0.00 0.00 179.45 179.85 3ce6 h GLU 35 N 0.60 0.89 -0.49 3.15 5.08 -0.82 -2.05 114.58 120.94 3ce6 h GLU 35 Ca 0.18 -0.41 0.05 0.00 -1.00 0.00 0.00 59.36 58.18 3ce6 h GLU 35 Cb -0.04 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.15 3ce6 h GLU 35 CO -0.06 1.06 0.22 -0.07 -1.00 0.00 0.00 179.01 179.17 3ce6 h LEU 36 N 0.76 0.29 -0.77 1.33 4.07 -0.11 -0.19 115.31 120.69 3ce6 h LEU 36 Ca 0.09 0.04 0.00 0.00 0.08 0.00 0.00 57.88 58.09 3ce6 h LEU 36 Cb 0.85 -0.01 -0.04 0.00 1.08 0.00 0.00 40.66 42.55 3ce6 h LEU 36 CO 0.08 0.20 0.50 0.03 -1.08 0.00 0.00 178.44 178.17 3ce6 h ARG 37 N 0.43 1.02 -0.36 1.13 3.08 -0.92 0.31 114.38 119.07 3ce6 h ARG 37 Ca 0.22 -0.07 0.01 0.00 0.07 0.00 0.00 59.98 60.21 3ce6 h ARG 37 Cb 0.17 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 29.97 3ce6 h ARG 37 CO -0.18 0.69 0.22 0.82 -1.07 0.00 0.00 179.97 180.44 3ce6 h ILE 38 N 1.04 1.06 -0.27 2.04 2.04 -1.21 -3.00 117.51 119.22 3ce6 h ILE 38 Ca 0.28 -0.16 -0.05 0.00 1.00 0.00 0.00 64.86 65.93 3ce6 h ILE 38 Cb -0.10 0.57 -0.02 0.00 -0.74 0.00 0.00 36.82 36.53 3ce6 h ILE 38 CO -0.06 0.08 -0.07 0.00 0.00 0.00 0.00 178.15 178.10 3ce6 h ALA 39 N 1.15 1.38 -0.60 1.87 0.00 -0.32 -1.95 119.26 120.79 3ce6 h ALA 39 Ca 0.14 -0.22 0.05 0.00 0.00 0.00 0.00 54.91 54.88 3ce6 h ALA 39 Cb -0.02 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 3ce6 h ALA 39 CO -0.05 0.43 0.40 0.93 0.00 0.00 0.00 179.25 180.95 3ce6 h GLU 40 N 0.41 0.59 0.00 0.00 5.08 -0.81 0.20 114.58 120.05 3ce6 h GLU 40 Ca 0.08 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3ce6 h GLU 40 Cb 0.38 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.50 3ce6 h GLU 40 CO 0.02 0.39 0.00 0.45 -1.00 0.00 0.00 179.01 178.87 3ce6 h HIS 41 N 0.61 0.00 -0.33 4.33 3.86 -1.34 -2.48 115.15 119.80 3ce6 h HIS 41 Ca 0.25 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.46 3ce6 h HIS 41 Cb 0.23 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.70 3ce6 h HIS 41 CO -0.00 0.00 0.00 0.39 0.86 0.00 0.00 177.93 179.18 3ce6 n GLU 42 N -3.07 2.43 -3.34 2.45 -0.58 0.55 -4.61 120.64 114.47 3ce6 n GLU 42 Ca 0.02 -2.15 -0.26 0.00 -0.42 0.00 0.00 57.16 54.35 3ce6 n GLU 42 Cb 0.38 -1.50 -0.08 0.00 -0.57 0.00 0.00 31.44 29.67 3ce6 n GLU 42 CO 0.00 0.00 0.00 -1.33 -0.48 0.00 0.00 177.13 175.32 3ce6 n MET 43 N 1.38 1.94 0.24 3.49 2.81 -0.21 -3.03 117.12 123.73 3ce6 n MET 43 Ca 0.19 -4.19 0.11 0.00 -1.81 0.00 0.00 57.70 51.99 3ce6 n MET 43 Cb 0.58 -1.91 0.54 0.00 -0.71 0.00 0.00 33.22 31.72 3ce6 n MET 43 CO 0.00 0.00 0.00 -1.00 1.51 0.00 0.00 175.97 176.48 3ce6 h PRO 44 N 4.09 0.00 -0.35 0.03 0.13 -1.82 -1.73 132.00 132.36 3ce6 h PRO 44 Ca 0.16 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.25 3ce6 h PRO 44 Cb 0.73 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.85 3ce6 h PRO 44 CO 0.71 0.18 0.09 0.78 -0.23 0.00 0.00 178.00 179.53 3ce6 h GLY 45 N 1.82 0.61 0.82 1.56 0.00 -1.91 0.11 103.07 106.08 3ce6 h GLY 45 Ca -0.00 -0.38 -0.05 0.00 0.00 0.00 0.00 47.33 46.90 3ce6 h GLY 45 CO 0.02 0.36 -0.05 1.41 0.00 0.00 0.00 176.54 178.28 3ce6 h LEU 46 N 0.42 0.42 -0.78 3.11 3.38 -1.66 -2.78 115.31 117.41 3ce6 h LEU 46 Ca 0.11 -0.37 -0.09 0.00 0.09 0.00 0.00 57.88 57.63 3ce6 h LEU 46 Cb 0.30 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 3ce6 h LEU 46 CO 0.00 0.69 -0.02 0.24 0.09 0.00 0.00 178.44 179.44 3ce6 h MET 47 N 0.14 0.90 -0.79 1.13 2.86 -1.22 -1.09 114.93 116.86 3ce6 h MET 47 Ca 0.05 -0.27 -0.02 0.00 -2.06 0.00 0.00 59.70 57.40 3ce6 h MET 47 Cb 0.51 -0.09 -0.04 0.00 0.06 0.00 0.00 31.60 32.04 3ce6 h MET 47 CO 0.02 0.91 0.41 1.03 1.06 0.00 0.00 176.91 180.33 3ce6 h SER 48 N 0.83 1.01 -0.41 1.22 0.87 -0.82 -1.77 113.55 114.47 3ce6 h SER 48 Ca 0.15 -0.12 -0.08 0.00 -1.23 0.00 0.00 61.79 60.51 3ce6 h SER 48 Cb 0.52 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 62.20 3ce6 h SER 48 CO 0.03 0.84 -0.03 -0.07 -0.53 0.00 0.00 176.83 177.06 3ce6 h LEU 49 N 1.10 0.81 -0.79 2.23 3.38 -1.14 0.50 115.31 121.39 3ce6 h LEU 49 Ca 0.27 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 3ce6 h LEU 49 Cb 0.08 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.57 3ce6 h LEU 49 CO -0.04 0.89 0.46 0.03 0.09 0.00 0.00 178.44 179.87 3ce6 h ARG 50 N 0.77 1.09 -0.17 1.13 3.08 -0.48 -1.34 114.38 118.46 3ce6 h ARG 50 Ca 0.14 -0.11 -0.11 0.00 0.07 0.00 0.00 59.98 59.97 3ce6 h ARG 50 Cb 0.51 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.34 3ce6 h ARG 50 CO 0.03 0.78 -0.33 0.00 -1.07 0.00 0.00 179.97 179.38 3ce6 h ARG 51 N 1.09 0.52 -0.24 0.04 3.08 -1.01 -2.14 114.38 115.71 3ce6 h ARG 51 Ca 0.28 -0.33 -0.11 0.00 0.07 0.00 0.00 59.98 59.89 3ce6 h ARG 51 Cb -0.01 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 3ce6 h ARG 51 CO -0.05 0.94 -0.30 1.49 -1.07 0.00 0.00 179.97 180.98 3ce6 h GLU 52 N 0.16 0.49 -0.27 0.04 4.81 -0.68 -3.13 114.58 115.99 3ce6 h GLU 52 Ca 0.01 -0.20 0.00 0.00 -0.13 0.00 0.00 59.36 59.03 3ce6 h GLU 52 Cb 0.93 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.29 3ce6 h GLU 52 CO 0.07 0.74 0.00 0.66 -0.73 0.00 0.00 179.01 179.75 3ce6 n TYR 53 N -4.09 0.35 -0.02 0.92 4.01 -0.53 -4.66 117.16 113.15 3ce6 n TYR 53 Ca -0.01 -0.25 -0.09 0.00 -0.16 0.00 0.00 57.90 57.39 3ce6 n TYR 53 Cb 0.44 -0.01 -0.03 0.00 -0.31 0.00 0.00 39.34 39.44 3ce6 n TYR 53 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3ce6 h ALA 54 N 3.18 -0.17 -0.38 -0.72 0.00 -1.33 -1.37 119.26 118.47 3ce6 h ALA 54 Ca 0.00 0.06 -0.13 0.00 0.00 0.00 0.00 54.91 54.83 3ce6 h ALA 54 Cb 0.78 0.47 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 3ce6 h ALA 54 CO 0.00 -0.68 -0.27 0.93 0.00 0.00 0.00 179.25 179.23 3ce6 h GLU 55 N -0.27 0.86 -0.43 0.00 4.39 -1.83 -3.28 114.58 114.03 3ce6 h GLU 55 Ca 0.12 -0.42 -0.10 0.00 0.34 0.00 0.00 59.36 59.30 3ce6 h GLU 55 Cb 0.45 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.08 3ce6 h GLU 55 CO -0.34 1.06 -0.13 0.28 -1.16 0.00 0.00 179.01 178.72 3ce6 h VAL 56 N 0.67 1.26 -5.79 3.13 2.07 -1.83 -3.47 116.25 112.29 3ce6 h VAL 56 Ca 0.07 -1.20 -0.34 0.00 0.82 0.00 0.00 66.70 66.05 3ce6 h VAL 56 Cb 0.85 1.07 0.14 0.00 -1.52 0.00 0.00 31.29 31.82 3ce6 h VAL 56 CO 0.07 0.41 -0.84 0.00 0.02 0.00 0.00 177.57 177.24 3ce6 n GLN 57 N -4.15 -4.14 0.25 1.57 1.13 -0.53 -4.85 117.38 106.66 3ce6 n GLN 57 Ca 0.01 0.74 0.13 0.00 -1.94 0.00 0.00 57.00 55.94 3ce6 n GLN 57 Cb 0.38 -5.44 0.79 0.00 0.11 0.00 0.00 30.24 26.08 3ce6 n GLN 57 CO 0.00 0.00 0.00 -1.00 -1.44 0.00 0.00 177.06 174.62 3ce6 h PRO 58 N -1.64 0.00 -0.63 -1.09 0.13 -1.71 -2.61 132.00 124.45 3ce6 h PRO 58 Ca -0.61 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.52 3ce6 h PRO 58 Cb 1.34 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.47 3ce6 h PRO 58 CO 0.50 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.55 3ce6 n LEU 59 N -4.12 3.64 -4.68 1.56 4.77 -0.12 -4.76 117.00 113.29 3ce6 n LEU 59 Ca -0.01 -1.77 -0.45 0.00 -0.03 0.00 0.00 56.01 53.75 3ce6 n LEU 59 Cb 0.16 -0.41 -0.04 0.00 -2.33 0.00 0.00 43.42 40.80 3ce6 n LEU 59 CO 0.30 0.88 1.16 1.17 -1.33 0.00 0.00 177.39 179.57 3ce6 n LYS 60 N 1.51 2.18 0.00 3.23 4.81 -0.99 -1.04 118.16 127.86 3ce6 n LYS 60 Ca 0.22 0.78 0.00 0.00 -0.87 0.00 0.00 58.31 58.45 3ce6 n LYS 60 Cb 0.59 -2.53 0.00 0.00 0.02 0.00 0.00 35.03 33.11 3ce6 n LYS 60 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3ce6 n GLY 61 N 3.05 1.11 3.75 3.14 0.00 -1.26 -4.98 105.19 110.00 3ce6 n GLY 61 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 3ce6 n GLY 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ce6 s ALA 62 N -2.27 3.36 -0.47 4.61 0.00 -0.21 -4.97 121.76 121.81 3ce6 s ALA 62 Ca 0.00 0.72 0.03 0.00 0.00 0.00 0.00 51.96 52.70 3ce6 s ALA 62 Cb 0.00 -3.25 0.13 0.00 0.00 0.00 0.00 23.12 20.00 3ce6 s ALA 62 CO 0.00 0.07 0.25 1.03 0.00 0.00 0.00 175.76 177.11 3ce6 s ARG 63 N -1.32 1.51 -0.25 0.00 0.52 -1.25 -1.25 118.95 116.91 3ce6 s ARG 63 Ca 0.43 -2.22 -0.16 0.00 -0.52 0.00 0.00 55.73 53.26 3ce6 s ARG 63 Cb -0.28 -2.65 -0.03 0.00 0.52 0.00 0.00 34.95 32.51 3ce6 s ARG 63 CO 0.35 -1.15 0.43 0.42 0.02 0.00 0.00 175.30 175.38 3ce6 s ILE 64 N 0.13 5.14 -0.33 1.52 1.01 0.13 -0.77 121.20 128.03 3ce6 s ILE 64 Ca 0.18 0.72 -0.17 0.00 0.00 0.00 0.00 60.65 61.38 3ce6 s ILE 64 Cb -0.24 -3.76 -0.01 0.00 0.01 0.00 0.00 42.46 38.46 3ce6 s ILE 64 CO -0.00 0.14 0.45 -0.44 0.00 0.00 0.00 174.94 175.10 3ce6 s SER 65 N 1.51 6.28 -0.10 3.58 0.01 -0.65 -1.20 113.70 123.14 3ce6 s SER 65 Ca 0.18 0.03 0.01 0.00 1.31 0.00 0.00 55.95 57.48 3ce6 s SER 65 Cb -0.16 -2.24 -0.02 0.00 0.21 0.00 0.00 66.02 63.81 3ce6 s SER 65 CO 0.09 -0.38 -0.13 -0.83 0.41 0.00 0.00 173.24 172.40 3ce6 s GLY 66 N 1.71 1.54 -0.30 3.44 0.00 -0.33 -1.37 107.32 112.01 3ce6 s GLY 66 Ca 0.17 -0.92 0.01 0.00 0.00 0.00 0.00 44.72 43.97 3ce6 s GLY 66 CO 0.12 -0.44 0.05 -0.45 0.00 0.00 0.00 173.10 172.38 3ce6 s SER 67 N -0.12 4.21 -0.29 1.64 0.15 -0.01 -1.39 113.70 117.89 3ce6 s SER 67 Ca -0.01 -1.70 -0.16 0.00 0.70 0.00 0.00 55.95 54.78 3ce6 s SER 67 Cb -0.14 -1.17 0.15 0.00 -1.71 0.00 0.00 66.02 63.16 3ce6 s SER 67 CO 0.03 -0.37 1.00 -0.22 1.20 0.00 0.00 173.24 174.89 3ce6 s LEU 68 N 1.34 -0.47 -0.17 3.45 2.96 -0.63 -1.08 118.68 124.08 3ce6 s LEU 68 Ca 0.07 0.75 -0.18 0.00 -0.22 0.00 0.00 54.13 54.54 3ce6 s LEU 68 Cb -0.18 1.68 -0.08 0.00 0.50 0.00 0.00 46.19 48.10 3ce6 s LEU 68 CO -0.15 -0.12 0.61 1.41 -1.32 0.00 0.00 176.35 176.78 3ce6 n HIS 69 N 3.77 0.65 -2.35 5.38 8.25 -1.26 -4.22 115.22 125.43 3ce6 n HIS 69 Ca -0.18 0.46 -0.43 0.00 -0.26 0.00 0.00 57.72 57.31 3ce6 n HIS 69 Cb 0.57 -0.88 0.00 0.00 1.12 0.00 0.00 29.99 30.80 3ce6 n HIS 69 CO 0.00 0.00 0.00 -0.12 0.64 0.00 0.00 176.34 176.86 3ce6 n MET 70 N 1.47 3.27 -3.84 -0.41 1.56 -1.26 -4.57 117.12 113.34 3ce6 n MET 70 Ca 0.12 -3.29 -0.24 0.00 -0.27 0.00 0.00 57.70 54.01 3ce6 n MET 70 Cb -0.02 -3.16 -0.03 0.00 2.15 0.00 0.00 33.22 32.16 3ce6 n MET 70 CO 0.00 0.00 0.00 0.95 -0.73 0.00 0.00 175.97 176.19 3ce6 s THR 71 N 2.17 2.08 0.29 1.12 -4.23 -1.26 -0.58 115.64 115.22 3ce6 s THR 71 Ca 0.45 -1.49 0.04 0.00 -1.18 0.00 0.00 61.69 59.51 3ce6 s THR 71 Cb 0.07 -2.57 0.29 0.00 1.34 0.00 0.00 72.50 71.63 3ce6 s THR 71 CO -0.01 0.00 1.70 0.58 -0.54 0.00 0.00 174.62 176.36 3ce6 h VAL 72 N 0.97 0.50 -0.34 2.29 2.07 -1.91 0.49 116.25 120.31 3ce6 h VAL 72 Ca -0.39 -0.15 -0.07 0.00 0.82 0.00 0.00 66.70 66.91 3ce6 h VAL 72 Cb 1.28 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 3ce6 h VAL 72 CO 0.60 0.08 -0.05 1.56 0.02 0.00 0.00 177.57 179.77 3ce6 h GLN 73 N 0.44 0.64 -0.27 1.57 7.50 -1.94 -2.61 115.11 120.45 3ce6 h GLN 73 Ca 0.56 -0.23 -0.08 0.00 0.50 0.00 0.00 58.65 59.41 3ce6 h GLN 73 Cb 1.06 -0.04 -0.01 0.00 0.05 0.00 0.00 27.48 28.53 3ce6 h GLN 73 CO -0.51 0.80 -0.16 1.15 -1.50 0.00 0.00 178.83 178.60 3ce6 h THR 74 N 0.44 1.24 -0.87 -0.54 2.02 -1.67 -2.19 112.91 111.33 3ce6 h THR 74 Ca 0.09 -1.08 0.00 0.00 0.77 0.00 0.00 66.41 66.20 3ce6 h THR 74 Cb 0.54 1.22 -0.04 0.00 -1.74 0.00 0.00 68.15 68.13 3ce6 h THR 74 CO 0.03 0.35 0.56 0.00 0.37 0.00 0.00 175.52 176.83 3ce6 h ALA 75 N 1.41 1.35 -0.29 6.16 0.00 -0.60 0.12 119.26 127.41 3ce6 h ALA 75 Ca 0.07 -0.07 -0.17 0.00 0.00 0.00 0.00 54.91 54.74 3ce6 h ALA 75 Cb 0.54 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 3ce6 h ALA 75 CO 0.03 0.59 -0.50 0.28 0.00 0.00 0.00 179.25 179.66 3ce6 h VAL 76 N 1.19 1.28 -0.18 0.00 2.07 -1.08 -0.52 116.25 119.02 3ce6 h VAL 76 Ca 0.32 -1.69 0.02 0.00 0.82 0.00 0.00 66.70 66.17 3ce6 h VAL 76 Cb -0.11 1.59 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 3ce6 h VAL 76 CO -0.07 0.55 0.06 0.25 0.02 0.00 0.00 177.57 178.38 3ce6 h LEU 77 N 0.63 0.06 -0.83 2.57 5.85 -0.88 -1.09 115.31 121.62 3ce6 h LEU 77 Ca 0.03 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.76 3ce6 h LEU 77 Cb 1.08 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 42.08 3ce6 h LEU 77 CO 0.11 0.06 0.47 0.40 -0.34 0.00 0.00 178.44 179.14 3ce6 h ILE 78 N 0.14 1.24 0.00 4.05 2.04 -0.36 -1.00 117.51 123.62 3ce6 h ILE 78 Ca 0.08 -0.56 0.00 0.00 1.00 0.00 0.00 64.86 65.38 3ce6 h ILE 78 Cb 0.05 0.11 0.00 0.00 -0.74 0.00 0.00 36.82 36.24 3ce6 h ILE 78 CO -0.08 0.26 0.00 -0.33 0.00 0.00 0.00 178.15 177.99 3ce6 h GLU 79 N 1.14 0.00 -0.14 2.37 5.08 -0.93 -1.02 114.58 121.08 3ce6 h GLU 79 Ca 0.29 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.53 3ce6 h GLU 79 Cb -0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3ce6 h GLU 79 CO -0.05 0.00 -0.40 1.15 -1.00 0.00 0.00 179.01 178.71 3ce6 h THR 80 N 0.00 1.36 -0.41 1.13 2.02 -0.17 -2.23 112.91 114.60 3ce6 h THR 80 Ca 0.00 -1.68 -0.03 0.00 0.77 0.00 0.00 66.41 65.47 3ce6 h THR 80 Cb 0.73 2.05 -0.02 0.00 -1.74 0.00 0.00 68.15 69.17 3ce6 h THR 80 CO 0.00 0.51 0.15 -0.07 0.37 0.00 0.00 175.52 176.48 3ce6 h LEU 81 N 0.14 0.58 -0.80 2.58 3.38 -0.50 -2.06 115.31 118.62 3ce6 h LEU 81 Ca -0.01 -0.18 -0.12 0.00 0.09 0.00 0.00 57.88 57.66 3ce6 h LEU 81 Cb 1.02 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.60 3ce6 h LEU 81 CO 0.09 0.61 -0.38 0.71 0.09 0.00 0.00 178.44 179.55 3ce6 h THR 82 N 0.52 1.30 0.00 0.22 1.35 -1.31 -1.71 112.91 113.29 3ce6 h THR 82 Ca 0.14 -1.51 -0.01 0.00 -0.55 0.00 0.00 66.41 64.48 3ce6 h THR 82 Cb 0.22 1.57 -0.00 0.00 -1.73 0.00 0.00 68.15 68.21 3ce6 h THR 82 CO -0.01 0.47 -0.03 0.00 -0.25 0.00 0.00 175.52 175.70 3ce6 h ALA 83 N 1.22 1.47 -0.32 6.62 0.00 -1.08 -0.44 119.26 126.74 3ce6 h ALA 83 Ca 0.04 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3ce6 h ALA 83 Cb 0.84 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.62 3ce6 h ALA 83 CO 0.07 0.04 0.00 1.28 0.00 0.00 0.00 179.25 180.64 3ce6 n LEU 84 N -3.81 3.23 0.00 0.00 4.77 -0.80 -4.84 117.00 115.53 3ce6 n LEU 84 Ca -0.03 -1.34 0.00 0.00 -0.03 0.00 0.00 56.01 54.61 3ce6 n LEU 84 Cb 0.12 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.01 3ce6 n LEU 84 CO 0.28 0.67 0.00 0.61 -1.33 0.00 0.00 177.39 177.62 3ce6 n GLY 85 N 1.45 0.75 3.85 -0.72 0.00 -0.17 -0.95 105.19 109.40 3ce6 n GLY 85 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.89 3ce6 n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ce6 s ALA 86 N -2.00 2.98 -0.03 4.61 0.00 -0.70 -3.73 121.76 122.89 3ce6 s ALA 86 Ca 0.00 0.07 -0.04 0.00 0.00 0.00 0.00 51.96 51.99 3ce6 s ALA 86 Cb 0.00 -3.12 -0.04 0.00 0.00 0.00 0.00 23.12 19.96 3ce6 s ALA 86 CO 0.00 -0.66 0.18 -1.21 0.00 0.00 0.00 175.76 174.07 3ce6 s GLU 87 N -4.72 3.45 0.14 0.00 2.02 -0.38 -4.23 118.70 114.99 3ce6 s GLU 87 Ca 0.58 -0.25 0.05 0.00 0.02 0.00 0.00 54.97 55.36 3ce6 s GLU 87 Cb -0.12 -3.12 -0.04 0.00 0.10 0.00 0.00 34.13 30.95 3ce6 s GLU 87 CO 0.46 0.70 -0.11 0.14 0.02 0.00 0.00 175.26 176.46 3ce6 s VAL 88 N -1.25 1.19 -0.03 2.63 -7.23 -1.26 -0.69 120.40 113.76 3ce6 s VAL 88 Ca 0.24 -1.93 0.02 0.00 -1.81 0.00 0.00 61.98 58.50 3ce6 s VAL 88 Cb -0.13 -1.71 0.01 0.00 0.56 0.00 0.00 36.38 35.11 3ce6 s VAL 88 CO 0.15 -0.65 -0.07 -0.13 -0.31 0.00 0.00 175.10 174.09 3ce6 s ARG 89 N -3.38 0.85 0.17 4.82 0.52 -0.34 -4.22 118.95 117.37 3ce6 s ARG 89 Ca 0.14 -0.23 0.09 0.00 -0.52 0.00 0.00 55.73 55.21 3ce6 s ARG 89 Cb 0.00 -0.81 -0.04 0.00 0.52 0.00 0.00 34.95 34.62 3ce6 s ARG 89 CO 0.01 0.05 -0.19 -0.46 0.02 0.00 0.00 175.30 174.73 3ce6 s TRP 90 N 0.37 1.89 0.04 -0.53 -0.11 0.26 -1.19 118.94 119.68 3ce6 s TRP 90 Ca -0.05 -0.45 -0.12 0.00 1.22 0.00 0.00 56.10 56.69 3ce6 s TRP 90 Cb -0.09 -0.94 0.02 0.00 -1.50 0.00 0.00 33.47 30.95 3ce6 s TRP 90 CO 0.00 0.35 0.27 0.00 -4.62 0.00 0.00 176.95 172.96 3ce6 s ALA 91 N -1.96 -0.59 0.65 5.86 0.00 -0.48 -0.91 121.76 124.33 3ce6 s ALA 91 Ca 0.16 -0.08 -0.12 0.00 0.00 0.00 0.00 51.96 51.92 3ce6 s ALA 91 Cb -0.06 0.31 -0.01 0.00 0.00 0.00 0.00 23.12 23.36 3ce6 s ALA 91 CO 0.07 -0.40 1.05 0.45 0.00 0.00 0.00 175.76 176.93 3ce6 s SER 92 N -2.08 5.60 -0.14 0.00 0.15 -1.25 -1.60 113.70 114.39 3ce6 s SER 92 Ca -0.05 1.65 0.15 0.00 0.70 0.00 0.00 55.95 58.40 3ce6 s SER 92 Cb -0.01 -2.50 0.67 0.00 -1.71 0.00 0.00 66.02 62.47 3ce6 s SER 92 CO -0.04 -1.29 1.56 0.00 1.20 0.00 0.00 173.24 174.67 3ce6 s ASN 94 N -0.79 -0.54 0.39 0.00 3.84 -1.26 -4.90 114.94 111.68 3ce6 s ASN 94 Ca 0.46 0.85 0.28 0.00 0.21 0.00 0.00 52.86 54.66 3ce6 s ASN 94 Cb 0.32 0.85 1.33 0.00 -0.55 0.00 0.00 41.25 43.20 3ce6 s ASN 94 CO 0.19 -0.35 1.84 0.16 -2.79 0.00 0.00 177.10 176.15 3ce6 h ILE 95 N 3.85 0.00 -0.03 -5.21 3.07 -1.91 -3.18 117.51 114.10 3ce6 h ILE 95 Ca -0.28 -0.16 0.00 0.00 1.55 0.00 0.00 64.86 65.97 3ce6 h ILE 95 Cb 1.16 0.88 0.00 0.00 -0.27 0.00 0.00 36.82 38.59 3ce6 h ILE 95 CO 0.26 0.00 0.00 0.49 -1.05 0.00 0.00 178.15 177.85 3ce6 n PHE 96 N -2.50 0.03 0.31 0.16 3.72 -1.26 -0.51 117.46 117.41 3ce6 n PHE 96 Ca -0.00 -0.12 0.11 0.00 -0.05 0.00 0.00 57.45 57.39 3ce6 n PHE 96 Cb 0.15 -0.01 0.03 0.00 -0.94 0.00 0.00 39.48 38.70 3ce6 n PHE 96 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 3ce6 n SER 97 N 0.09 0.69 -4.78 4.37 3.41 -1.20 -4.33 113.62 111.87 3ce6 n SER 97 Ca 0.02 0.12 -0.41 0.00 -0.26 0.00 0.00 58.87 58.35 3ce6 n SER 97 Cb 0.14 0.60 -0.00 0.00 -0.26 0.00 0.00 64.21 64.68 3ce6 n SER 97 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3ce6 s THR 98 N -3.29 2.10 -0.40 6.66 2.01 -1.26 -4.44 115.64 117.02 3ce6 s THR 98 Ca 0.01 0.10 -0.10 0.00 0.31 0.00 0.00 61.69 62.02 3ce6 s THR 98 Cb 0.12 -3.06 0.06 0.00 0.01 0.00 0.00 72.50 69.62 3ce6 s THR 98 CO 0.79 0.02 0.24 -1.10 -0.69 0.00 0.00 174.62 173.88 3ce6 s GLN 99 N -1.92 2.69 0.37 4.92 -0.21 0.25 -4.25 119.66 121.51 3ce6 s GLN 99 Ca 0.53 -1.31 0.04 0.00 0.02 0.00 0.00 55.36 54.64 3ce6 s GLN 99 Cb -0.46 -3.75 0.70 0.00 1.00 0.00 0.00 33.01 30.50 3ce6 s GLN 99 CO 0.61 -0.85 2.03 -0.44 -2.12 0.00 0.00 175.29 174.51 3ce6 h ASP 100 N 8.42 0.65 -0.75 5.90 3.32 -1.94 -0.60 116.42 131.42 3ce6 h ASP 100 Ca -0.24 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 56.78 3ce6 h ASP 100 Cb 1.09 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 40.44 3ce6 h ASP 100 CO 0.72 0.47 0.43 1.12 -1.72 0.00 0.00 179.24 180.26 3ce6 h HIS 101 N 0.76 1.02 -0.14 4.55 2.07 -1.91 -1.47 115.15 120.04 3ce6 h HIS 101 Ca 0.21 -0.01 -0.18 0.00 -2.85 0.00 0.00 60.37 57.54 3ce6 h HIS 101 Cb -0.09 -0.33 -0.00 0.00 2.57 0.00 0.00 27.41 29.56 3ce6 h HIS 101 CO 0.00 0.70 -0.65 0.00 -3.07 0.00 0.00 177.93 174.92 3ce6 h ALA 102 N 1.41 0.62 -0.57 6.11 0.00 -1.45 -1.55 119.26 123.83 3ce6 h ALA 102 Ca 0.27 -0.56 0.02 0.00 0.00 0.00 0.00 54.91 54.64 3ce6 h ALA 102 Cb 0.01 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 3ce6 h ALA 102 CO -0.05 0.72 0.35 0.00 0.00 0.00 0.00 179.25 180.27 3ce6 h ALA 103 N 0.92 0.73 -0.47 0.00 0.00 -1.09 -0.73 119.26 118.61 3ce6 h ALA 103 Ca -0.01 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.74 3ce6 h ALA 103 Cb 1.21 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 3ce6 h ALA 103 CO 0.12 0.09 -0.24 0.00 0.00 0.00 0.00 179.25 179.22 3ce6 h ALA 104 N 1.24 0.67 -0.21 0.00 0.00 -1.09 -2.00 119.26 117.86 3ce6 h ALA 104 Ca 0.22 -0.40 -0.08 0.00 0.00 0.00 0.00 54.91 54.65 3ce6 h ALA 104 Cb -0.01 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3ce6 h ALA 104 CO -0.08 0.67 -0.23 0.00 0.00 0.00 0.00 179.25 179.61 3ce6 h ALA 105 N 0.86 1.22 -0.39 0.00 0.00 -0.88 -1.25 119.26 118.81 3ce6 h ALA 105 Ca 0.10 -0.31 -0.08 0.00 0.00 0.00 0.00 54.91 54.62 3ce6 h ALA 105 Cb 0.82 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 3ce6 h ALA 105 CO 0.07 0.51 -0.07 0.28 0.00 0.00 0.00 179.25 180.03 3ce6 h VAL 106 N 0.35 1.27 -0.71 0.00 2.07 -0.83 -0.04 116.25 118.36 3ce6 h VAL 106 Ca 0.06 -1.15 -0.03 0.00 0.82 0.00 0.00 66.70 66.40 3ce6 h VAL 106 Cb 0.59 1.21 -0.03 0.00 -1.52 0.00 0.00 31.29 31.54 3ce6 h VAL 106 CO 0.04 0.38 0.31 0.58 0.02 0.00 0.00 177.57 178.91 3ce6 h VAL 107 N 0.56 1.24 0.08 2.57 2.07 -1.10 -2.10 116.25 119.57 3ce6 h VAL 107 Ca 0.10 -0.72 -0.25 0.00 0.82 0.00 0.00 66.70 66.65 3ce6 h VAL 107 Cb 0.59 0.39 -0.00 0.00 -1.52 0.00 0.00 31.29 30.74 3ce6 h VAL 107 CO 0.03 0.29 -1.13 0.58 0.02 0.00 0.00 177.57 177.37 3ce6 h VAL 108 N 1.01 1.54 -0.27 2.57 2.07 -1.19 0.14 116.25 122.11 3ce6 h VAL 108 Ca 0.24 -3.04 0.03 0.00 0.82 0.00 0.00 66.70 64.75 3ce6 h VAL 108 Cb 0.17 2.84 -0.01 0.00 -1.52 0.00 0.00 31.29 32.76 3ce6 h VAL 108 CO -0.03 0.88 -0.07 0.61 0.02 0.00 0.00 177.57 178.99 3ce6 n GLY 109 N 1.38 -1.89 0.23 2.17 0.00 -0.03 0.10 105.19 107.15 3ce6 n GLY 109 Ca -0.06 -1.47 0.15 0.00 0.00 0.00 0.00 46.02 44.63 3ce6 n GLY 109 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ce6 h PRO 110 N -0.11 0.00 -0.08 1.61 0.13 -1.88 -3.09 132.00 128.57 3ce6 h PRO 110 Ca -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 3ce6 h PRO 110 Cb 0.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.24 3ce6 h PRO 110 CO 0.00 0.00 0.00 0.72 -0.23 0.00 0.00 178.00 178.49 3ce6 n HIS 111 N -2.95 0.11 -2.71 1.56 8.25 -1.26 -5.04 115.22 113.18 3ce6 n HIS 111 Ca 0.02 -0.50 -0.19 0.00 -0.26 0.00 0.00 57.72 56.80 3ce6 n HIS 111 Cb 0.38 -0.04 0.09 0.00 1.12 0.00 0.00 29.99 31.54 3ce6 n HIS 111 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3ce6 n GLY 112 N -0.26 1.08 3.30 -1.41 0.00 -1.15 -4.95 105.19 101.80 3ce6 n GLY 112 Ca 0.03 -2.08 -0.16 0.00 0.00 0.00 0.00 46.02 43.81 3ce6 n GLY 112 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ce6 s THR 113 N -2.44 0.59 0.36 2.61 -4.23 -0.39 -4.85 115.64 107.29 3ce6 s THR 113 Ca 0.55 -2.00 0.07 0.00 -1.18 0.00 0.00 61.69 59.14 3ce6 s THR 113 Cb -0.04 -2.52 0.31 0.00 1.34 0.00 0.00 72.50 71.59 3ce6 s THR 113 CO 0.36 -0.11 1.92 -0.65 -0.54 0.00 0.00 174.62 175.60 3ce6 h PRO 114 N 2.45 0.71 0.00 3.99 0.11 -1.94 -1.29 132.00 136.03 3ce6 h PRO 114 Ca -0.38 -0.04 -0.18 0.00 0.11 0.00 0.00 66.00 65.51 3ce6 h PRO 114 Cb 1.24 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 32.16 3ce6 h PRO 114 CO 0.61 0.47 -0.84 -0.44 -0.21 0.00 0.00 178.00 177.59 3ce6 h ASP 115 N 0.73 0.02 -2.32 -2.05 3.32 -1.97 -3.36 116.42 110.79 3ce6 h ASP 115 Ca 0.37 -0.02 -0.60 0.00 0.02 0.00 0.00 57.03 56.81 3ce6 h ASP 115 Cb 0.46 -0.01 -0.41 0.00 0.22 0.00 0.00 39.33 39.59 3ce6 h ASP 115 CO -0.15 0.85 -0.71 1.21 -1.72 0.00 0.00 179.24 178.73 3ce6 n GLU 116 N -3.56 1.94 -2.68 3.56 4.07 -0.76 -4.79 120.64 118.43 3ce6 n GLU 116 Ca -0.01 -4.29 -0.36 0.00 -0.06 0.00 0.00 57.16 52.44 3ce6 n GLU 116 Cb 0.80 -2.04 -0.05 0.00 -0.06 0.00 0.00 31.44 30.09 3ce6 n GLU 116 CO 0.00 0.00 0.00 -1.25 -0.06 0.00 0.00 177.13 175.82 3ce6 s PRO 117 N -1.92 4.36 -0.06 5.31 0.04 -0.56 -1.26 135.00 140.91 3ce6 s PRO 117 Ca 0.36 1.38 0.09 0.00 0.04 0.00 0.00 61.00 62.88 3ce6 s PRO 117 Cb 0.11 -2.61 0.16 0.00 0.04 0.00 0.00 34.50 32.20 3ce6 s PRO 117 CO -0.07 0.06 1.08 1.63 0.04 0.00 0.00 177.00 179.74 3ce6 n LYS 118 N 0.14 0.58 0.00 4.56 5.02 0.11 -4.87 118.16 123.71 3ce6 n LYS 118 Ca 0.04 -1.78 0.00 0.00 -2.02 0.00 0.00 58.31 54.55 3ce6 n LYS 118 Cb 0.50 -0.92 0.00 0.00 -0.02 0.00 0.00 35.03 34.59 3ce6 n LYS 118 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ce6 n GLY 119 N -0.60 2.27 3.23 0.72 0.00 0.50 -4.62 105.19 106.68 3ce6 n GLY 119 Ca 0.08 -1.68 -0.13 0.00 0.00 0.00 0.00 46.02 44.29 3ce6 n GLY 119 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3ce6 s VAL 120 N 4.85 0.99 0.04 1.61 -7.23 -0.79 -4.94 120.40 114.93 3ce6 s VAL 120 Ca 0.00 -2.02 -0.30 0.00 -1.81 0.00 0.00 61.98 57.85 3ce6 s VAL 120 Cb 0.00 -1.82 -0.07 0.00 0.56 0.00 0.00 36.38 35.04 3ce6 s VAL 120 CO 0.00 -0.76 1.62 -2.84 -0.31 0.00 0.00 175.10 172.81 3ce6 s PRO 121 N -3.79 4.21 -0.04 4.82 0.02 -1.26 -4.05 135.00 134.91 3ce6 s PRO 121 Ca 0.16 2.26 0.03 0.00 0.02 0.00 0.00 61.00 63.47 3ce6 s PRO 121 Cb 0.04 -3.66 0.00 0.00 0.02 0.00 0.00 34.50 30.90 3ce6 s PRO 121 CO -0.01 -0.73 -0.14 0.08 -0.33 0.00 0.00 177.00 175.88 3ce6 s VAL 122 N 2.84 1.17 -0.46 3.83 1.01 -1.26 -0.57 120.40 126.97 3ce6 s VAL 122 Ca 0.73 -0.56 0.03 0.00 0.00 0.00 0.00 61.98 62.18 3ce6 s VAL 122 Cb -0.38 -1.03 0.13 0.00 0.00 0.00 0.00 36.38 35.10 3ce6 s VAL 122 CO 0.31 0.35 0.22 -0.36 0.00 0.00 0.00 175.10 175.62 3ce6 s PHE 123 N 0.25 2.81 -0.29 5.22 0.40 -0.09 -0.71 117.98 125.56 3ce6 s PHE 123 Ca -0.07 -2.85 -0.16 0.00 -0.60 0.00 0.00 56.93 53.26 3ce6 s PHE 123 Cb -0.12 -2.49 0.17 0.00 0.51 0.00 0.00 43.02 41.09 3ce6 s PHE 123 CO 0.02 -0.79 1.07 0.00 0.70 0.00 0.00 175.22 176.23 3ce6 s ALA 124 N 0.15 -2.43 0.12 5.36 0.00 0.06 -3.77 121.76 121.25 3ce6 s ALA 124 Ca 0.16 2.12 -0.10 0.00 0.00 0.00 0.00 51.96 54.14 3ce6 s ALA 124 Cb -0.24 -1.82 0.00 0.00 0.00 0.00 0.00 23.12 21.06 3ce6 s ALA 124 CO -0.02 -0.36 0.26 1.67 0.00 0.00 0.00 175.76 177.31 3ce6 s TRP 125 N 1.27 0.18 0.01 0.00 -2.14 -1.26 -4.28 118.94 112.72 3ce6 s TRP 125 Ca -0.09 -0.58 -0.30 0.00 2.66 0.00 0.00 56.10 57.80 3ce6 s TRP 125 Cb -0.03 -0.01 -0.03 0.00 -3.10 0.00 0.00 33.47 30.30 3ce6 s TRP 125 CO -0.13 -0.63 0.96 0.21 -2.66 0.00 0.00 176.95 174.70 3ce6 s LYS 126 N -3.89 4.57 0.00 3.25 2.20 -1.26 -3.77 119.74 120.84 3ce6 s LYS 126 Ca 0.09 1.39 0.00 0.00 -0.36 0.00 0.00 55.97 57.09 3ce6 s LYS 126 Cb 0.04 -3.45 0.00 0.00 -1.51 0.00 0.00 37.83 32.91 3ce6 s LYS 126 CO -0.07 -0.02 0.00 0.41 -0.36 0.00 0.00 175.35 175.31 3ce6 n GLY 127 N 2.85 0.99 3.76 5.54 0.00 0.34 -5.02 105.19 113.65 3ce6 n GLY 127 Ca 0.05 -0.34 -0.34 0.00 0.00 0.00 0.00 46.02 45.39 3ce6 n GLY 127 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ce6 s GLU 128 N -2.50 2.74 0.75 1.61 2.02 -0.58 -5.04 118.70 117.70 3ce6 s GLU 128 Ca 0.00 1.49 -0.10 0.00 0.02 0.00 0.00 54.97 56.38 3ce6 s GLU 128 Cb 0.00 -1.93 0.07 0.00 0.10 0.00 0.00 34.13 32.36 3ce6 s GLU 128 CO 0.00 -1.31 1.10 0.95 0.02 0.00 0.00 175.26 176.02 3ce6 s THR 129 N -2.20 2.28 0.23 3.63 -4.23 -1.26 -4.86 115.64 109.23 3ce6 s THR 129 Ca 0.69 -0.06 -0.07 0.00 -1.18 0.00 0.00 61.69 61.07 3ce6 s THR 129 Cb -0.23 -3.06 0.18 0.00 1.34 0.00 0.00 72.50 70.74 3ce6 s THR 129 CO 0.40 -0.07 1.82 -0.07 -0.54 0.00 0.00 174.62 176.16 3ce6 h LEU 130 N -0.82 0.65 -0.54 4.79 3.38 -2.00 -0.57 115.31 120.19 3ce6 h LEU 130 Ca -0.45 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.54 3ce6 h LEU 130 Cb 1.32 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.95 3ce6 h LEU 130 CO 0.64 0.40 0.30 -0.33 0.09 0.00 0.00 178.44 179.54 3ce6 h GLU 131 N 0.78 0.75 -0.18 1.13 3.07 -1.96 -2.17 114.58 116.00 3ce6 h GLU 131 Ca 0.34 -0.09 -0.10 0.00 -0.50 0.00 0.00 59.36 59.01 3ce6 h GLU 131 Cb 0.23 -0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 27.98 3ce6 h GLU 131 CO -0.20 0.58 -0.34 0.93 -1.40 0.00 0.00 179.01 178.58 3ce6 h GLU 132 N 0.73 0.37 -0.46 2.33 5.08 -1.87 -1.11 114.58 119.64 3ce6 h GLU 132 Ca 0.19 -0.16 -0.00 0.00 -1.00 0.00 0.00 59.36 58.39 3ce6 h GLU 132 Cb 0.04 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 3ce6 h GLU 132 CO -0.03 0.67 0.27 -0.92 -1.00 0.00 0.00 179.01 178.00 3ce6 h TYR 133 N 0.32 0.62 -0.07 4.33 3.20 -0.73 0.66 116.97 125.30 3ce6 h TYR 133 Ca 0.04 -0.01 -0.21 0.00 3.14 0.00 0.00 58.73 61.69 3ce6 h TYR 133 Cb 0.76 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 38.83 3ce6 h TYR 133 CO 0.02 0.44 -0.81 -1.49 -1.64 0.00 0.00 178.16 174.68 3ce6 h TRP 134 N 0.62 0.70 -0.61 -3.82 4.06 -1.27 -0.23 115.95 115.40 3ce6 h TRP 134 Ca 0.17 -0.33 0.07 0.00 2.06 0.00 0.00 58.89 60.85 3ce6 h TRP 134 Cb 0.01 -0.10 -0.06 0.00 -1.00 0.00 0.00 29.16 28.01 3ce6 h TRP 134 CO -0.03 1.12 0.30 2.35 -3.56 0.00 0.00 178.44 178.63 3ce6 h TRP 135 N 0.33 0.55 -0.42 0.49 7.01 -1.07 -0.73 115.95 122.10 3ce6 h TRP 135 Ca -0.05 0.03 -0.11 0.00 2.11 0.00 0.00 58.89 60.86 3ce6 h TRP 135 Cb 1.41 -0.15 -0.02 0.00 -2.10 0.00 0.00 29.16 28.30 3ce6 h TRP 135 CO 0.06 0.23 -0.19 0.00 -2.79 0.00 0.00 178.44 175.75 3ce6 h ALA 136 N 1.35 0.88 -0.43 2.65 0.00 -0.58 -0.78 119.26 122.36 3ce6 h ALA 136 Ca 0.28 -0.36 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 3ce6 h ALA 136 Cb 0.24 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3ce6 h ALA 136 CO -0.21 0.63 -0.06 0.00 0.00 0.00 0.00 179.25 179.61 3ce6 h ALA 137 N 1.07 1.08 -0.47 0.00 0.00 -0.62 -0.15 119.26 120.18 3ce6 h ALA 137 Ca 0.10 -0.28 -0.13 0.00 0.00 0.00 0.00 54.91 54.60 3ce6 h ALA 137 Cb 0.70 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 3ce6 h ALA 137 CO 0.05 0.57 -0.20 1.49 0.00 0.00 0.00 179.25 181.16 3ce6 h GLU 138 N 0.69 0.97 -0.31 0.00 4.81 -0.67 -1.73 114.58 118.33 3ce6 h GLU 138 Ca 0.13 -0.41 0.06 0.00 -0.13 0.00 0.00 59.36 59.01 3ce6 h GLU 138 Cb 0.51 -0.03 -0.06 0.00 0.63 0.00 0.00 28.75 29.79 3ce6 h GLU 138 CO 0.03 1.08 -0.10 1.96 -0.73 0.00 0.00 179.01 181.25 3ce6 h GLN 139 N 0.81 -0.03 -0.11 1.92 1.08 -0.81 -1.80 115.11 116.17 3ce6 h GLN 139 Ca 0.11 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.29 3ce6 h GLN 139 Cb 0.78 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 28.21 3ce6 h GLN 139 CO 0.06 -0.02 -0.03 1.98 -0.95 0.00 0.00 178.83 179.88 3ce6 h MET 140 N -0.04 0.15 0.00 1.46 4.05 -0.71 -2.55 114.93 117.30 3ce6 h MET 140 Ca 0.15 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.55 3ce6 h MET 140 Cb 0.27 -0.03 0.00 0.00 -0.80 0.00 0.00 31.60 31.04 3ce6 h MET 140 CO -0.34 0.20 -0.35 1.28 0.23 0.00 0.00 176.91 177.93 3ce6 n LEU 141 N -4.41 0.43 -4.21 3.39 4.77 -0.68 -4.67 117.00 111.62 3ce6 n LEU 141 Ca -0.01 0.23 -0.41 0.00 -0.03 0.00 0.00 56.01 55.79 3ce6 n LEU 141 Cb 0.16 -0.31 -0.07 0.00 -2.33 0.00 0.00 43.42 40.87 3ce6 n LEU 141 CO 0.36 0.03 0.12 -0.89 -1.33 0.00 0.00 177.39 175.67 3ce6 s THR 142 N -3.04 4.45 0.55 -5.08 2.01 -0.71 -4.52 115.64 109.29 3ce6 s THR 142 Ca 0.11 -2.33 -0.18 0.00 0.31 0.00 0.00 61.69 59.60 3ce6 s THR 142 Cb 0.17 -3.86 -0.06 0.00 0.01 0.00 0.00 72.50 68.76 3ce6 s THR 142 CO 0.65 -0.88 1.05 0.26 -0.69 0.00 0.00 174.62 175.02 3ce6 s TRP 143 N 0.61 2.97 0.24 4.92 0.52 -1.26 -4.91 118.94 122.03 3ce6 s TRP 143 Ca 0.12 1.54 0.09 0.00 0.02 0.00 0.00 56.10 57.88 3ce6 s TRP 143 Cb -0.20 -3.05 0.25 0.00 -1.15 0.00 0.00 33.47 29.32 3ce6 s TRP 143 CO -0.04 -1.03 1.55 -1.00 0.02 0.00 0.00 176.95 176.45 3ce6 h PRO 144 N 0.93 0.02 -5.67 4.98 0.13 -1.97 -3.40 132.00 127.01 3ce6 h PRO 144 Ca -0.48 -0.02 -0.61 0.00 -0.87 0.00 0.00 66.00 64.02 3ce6 h PRO 144 Cb 1.22 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.25 3ce6 h PRO 144 CO 0.58 0.70 0.30 0.34 -0.23 0.00 0.00 178.00 179.69 3ce6 s ASP 145 N -6.83 6.60 0.61 1.44 3.68 -1.26 -4.95 116.67 115.96 3ce6 s ASP 145 Ca -0.01 0.58 0.30 0.00 2.13 0.00 0.00 52.55 55.54 3ce6 s ASP 145 Cb 0.12 -2.38 1.65 0.00 -1.45 0.00 0.00 42.92 40.86 3ce6 s ASP 145 CO 0.78 -0.56 2.01 -0.65 0.13 0.00 0.00 175.17 176.88 3ce6 h PRO 146 N 8.14 0.00 -0.02 4.34 0.11 -2.02 -0.07 132.00 142.48 3ce6 h PRO 146 Ca -0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.86 3ce6 h PRO 146 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3ce6 h PRO 146 CO 0.85 0.00 -0.29 -0.25 -0.21 0.00 0.00 178.00 178.10 3ce6 n ASP 147 N -3.50 2.06 -3.25 -2.05 8.00 -1.26 -4.38 116.55 112.16 3ce6 n ASP 147 Ca 0.02 -1.53 -0.25 0.00 0.71 0.00 0.00 54.79 53.74 3ce6 n ASP 147 Cb 0.42 0.27 -0.07 0.00 -0.02 0.00 0.00 41.12 41.73 3ce6 n ASP 147 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3ce6 n LYS 148 N 0.21 1.95 -1.21 -1.24 5.02 -0.04 -5.11 118.16 117.75 3ce6 n LYS 148 Ca 0.12 -4.14 -0.30 0.00 -2.02 0.00 0.00 58.31 51.97 3ce6 n LYS 148 Cb 0.47 -1.89 0.22 0.00 -0.02 0.00 0.00 35.03 33.81 3ce6 n LYS 148 CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 3ce6 s PRO 149 N -2.25 -0.65 0.26 1.97 0.02 -1.24 -4.57 135.00 128.53 3ce6 s PRO 149 Ca 0.40 0.00 -0.28 0.00 0.02 0.00 0.00 61.00 61.15 3ce6 s PRO 149 Cb 0.20 -1.66 -0.15 0.00 0.02 0.00 0.00 34.50 32.91 3ce6 s PRO 149 CO -0.07 -3.35 0.82 0.00 -0.33 0.00 0.00 177.00 174.08 3ce6 n ALA 150 N -4.52 -1.21 -0.16 -1.55 0.00 -1.26 -4.90 120.51 106.92 3ce6 n ALA 150 Ca 0.12 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.96 3ce6 n ALA 150 Cb 0.59 -1.87 0.00 0.00 0.00 0.00 0.00 19.45 18.18 3ce6 n ALA 150 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3ce6 n ASN 151 N 1.50 1.15 -3.76 0.00 0.23 0.05 -3.56 115.26 110.87 3ce6 n ASN 151 Ca 0.13 -1.31 -0.10 0.00 -0.53 0.00 0.00 54.58 52.76 3ce6 n ASN 151 Cb 0.30 0.00 -0.07 0.00 -2.08 0.00 0.00 39.78 37.93 3ce6 n ASN 151 CO 0.00 0.00 0.00 -0.04 -0.93 0.00 0.00 177.26 176.29 3ce6 s MET 152 N -0.31 0.87 0.04 -3.83 -1.94 -0.98 -0.96 119.30 112.19 3ce6 s MET 152 Ca 0.00 -0.69 0.07 0.00 -1.71 0.00 0.00 55.69 53.36 3ce6 s MET 152 Cb 0.00 0.37 -0.02 0.00 2.01 0.00 0.00 34.83 37.19 3ce6 s MET 152 CO 0.00 -0.29 -0.21 0.42 -0.01 0.00 0.00 175.02 174.93 3ce6 s ILE 153 N -3.21 1.65 -0.24 2.53 1.01 -0.50 -1.63 121.20 120.82 3ce6 s ILE 153 Ca -0.00 -1.16 0.00 0.00 0.00 0.00 0.00 60.65 59.49 3ce6 s ILE 153 Cb 0.01 -1.43 0.06 0.00 0.01 0.00 0.00 42.46 41.12 3ce6 s ILE 153 CO -0.08 0.23 -0.03 -0.22 0.00 0.00 0.00 174.94 174.85 3ce6 s LEU 154 N -1.09 2.47 0.08 2.97 0.20 -0.47 -1.71 118.68 121.13 3ce6 s LEU 154 Ca 0.07 -1.19 0.08 0.00 0.69 0.00 0.00 54.13 53.79 3ce6 s LEU 154 Cb -0.09 -1.11 -0.03 0.00 -0.43 0.00 0.00 46.19 44.53 3ce6 s LEU 154 CO 0.01 -0.26 -0.22 -0.62 -0.29 0.00 0.00 176.35 174.98 3ce6 s ASP 155 N 1.44 2.60 -0.28 3.68 -1.08 0.08 -0.83 116.67 122.28 3ce6 s ASP 155 Ca -0.04 -0.62 -0.02 0.00 -0.52 0.00 0.00 52.55 51.34 3ce6 s ASP 155 Cb -0.19 -0.18 0.09 0.00 -1.46 0.00 0.00 42.92 41.19 3ce6 s ASP 155 CO -0.07 0.11 0.09 -0.62 0.52 0.00 0.00 175.17 175.20 3ce6 s ASP 156 N -1.61 3.68 0.00 -0.34 -1.08 -0.24 -1.31 116.67 115.76 3ce6 s ASP 156 Ca 0.08 -1.38 0.00 0.00 -0.52 0.00 0.00 52.55 50.73 3ce6 s ASP 156 Cb -0.10 -0.69 0.00 0.00 -1.46 0.00 0.00 42.92 40.67 3ce6 s ASP 156 CO 0.03 -0.40 0.00 0.61 0.52 0.00 0.00 175.17 175.94 3ce6 n GLY 157 N 4.98 0.46 2.05 2.66 0.00 -1.26 -4.60 105.19 109.48 3ce6 n GLY 157 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 3ce6 n GLY 157 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ce6 n GLY 158 N -1.40 0.52 0.27 -0.02 0.00 -1.26 -4.24 105.19 99.06 3ce6 n GLY 158 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 3ce6 n GLY 158 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3ce6 h ASP 159 N 0.00 0.84 -0.22 1.61 3.32 -1.94 0.87 116.42 120.90 3ce6 h ASP 159 Ca 0.00 -0.32 -0.02 0.00 0.02 0.00 0.00 57.03 56.71 3ce6 h ASP 159 Cb 0.00 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.31 3ce6 h ASP 159 CO 0.00 1.05 0.05 0.00 -1.72 0.00 0.00 179.24 178.62 3ce6 h ALA 160 N 1.01 0.30 -0.39 3.45 0.00 -1.93 -1.54 119.26 120.16 3ce6 h ALA 160 Ca 0.09 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 3ce6 h ALA 160 Cb 0.77 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 3ce6 h ALA 160 CO 0.06 -0.05 0.15 1.15 0.00 0.00 0.00 179.25 180.56 3ce6 h THR 161 N 0.18 1.20 -0.62 0.00 2.02 -1.93 -2.08 112.91 111.67 3ce6 h THR 161 Ca 0.07 -0.62 0.09 0.00 0.77 0.00 0.00 66.41 66.71 3ce6 h THR 161 Cb 0.29 0.87 -0.07 0.00 -1.74 0.00 0.00 68.15 67.50 3ce6 h THR 161 CO 0.00 0.22 0.26 -0.03 0.37 0.00 0.00 175.52 176.35 3ce6 h MET 162 N 0.49 0.46 -0.24 6.66 -1.53 -0.70 0.84 114.93 120.91 3ce6 h MET 162 Ca 0.13 -0.03 -0.01 0.00 -3.44 0.00 0.00 59.70 56.35 3ce6 h MET 162 Cb 0.21 -0.10 -0.01 0.00 -0.55 0.00 0.00 31.60 31.14 3ce6 h MET 162 CO -0.01 0.30 0.11 1.25 0.14 0.00 0.00 176.91 178.70 3ce6 h LEU 163 N 0.47 0.33 0.45 3.39 5.85 -0.94 0.10 115.31 124.96 3ce6 h LEU 163 Ca 0.31 -0.15 -0.02 0.00 0.84 0.00 0.00 57.88 58.86 3ce6 h LEU 163 Cb 0.34 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.30 3ce6 h LEU 163 CO -0.28 0.38 -0.22 0.58 -0.34 0.00 0.00 178.44 178.57 3ce6 h VAL 164 N 0.25 0.55 -0.16 1.05 2.07 -1.13 -0.17 116.25 118.71 3ce6 h VAL 164 Ca 0.08 -0.12 -0.21 0.00 0.82 0.00 0.00 66.70 67.27 3ce6 h VAL 164 Cb 0.15 0.61 0.01 0.00 -1.52 0.00 0.00 31.29 30.54 3ce6 h VAL 164 CO -0.01 0.02 -0.74 -0.07 0.02 0.00 0.00 177.57 176.80 3ce6 h LEU 165 N -0.67 0.88 -0.83 2.57 3.38 -0.67 -1.30 115.31 118.68 3ce6 h LEU 165 Ca -0.06 -0.56 -0.08 0.00 0.09 0.00 0.00 57.88 57.27 3ce6 h LEU 165 Cb 0.50 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 3ce6 h LEU 165 CO 0.10 1.35 -0.00 0.03 0.09 0.00 0.00 178.44 180.01 3ce6 h ARG 166 N 0.52 0.87 -0.74 1.13 2.47 -0.90 -1.03 114.38 116.71 3ce6 h ARG 166 Ca -0.04 -0.25 -0.01 0.00 -1.26 0.00 0.00 59.98 58.42 3ce6 h ARG 166 Cb 1.35 -0.09 -0.03 0.00 -1.65 0.00 0.00 29.97 29.55 3ce6 h ARG 166 CO 0.15 0.87 0.40 0.78 0.56 0.00 0.00 179.97 182.74 3ce6 h GLY 167 N 0.99 1.10 1.54 0.04 0.00 -0.77 -1.20 103.07 104.77 3ce6 h GLY 167 Ca 0.15 -0.50 -0.14 0.00 0.00 0.00 0.00 47.33 46.84 3ce6 h GLY 167 CO 0.02 0.48 -0.48 1.98 0.00 0.00 0.00 176.54 178.54 3ce6 h MET 168 N 1.02 0.49 -0.29 4.80 1.85 -1.03 -2.12 114.93 119.65 3ce6 h MET 168 Ca 0.26 -0.28 -0.03 0.00 -0.61 0.00 0.00 59.70 59.04 3ce6 h MET 168 Cb 0.04 0.02 -0.01 0.00 0.43 0.00 0.00 31.60 32.08 3ce6 h MET 168 CO -0.04 0.87 0.05 0.37 -0.40 0.00 0.00 176.91 177.76 3ce6 h GLN 169 N 0.39 0.48 -0.45 0.39 4.15 -0.07 -0.55 115.11 119.46 3ce6 h GLN 169 Ca 0.02 -0.13 -0.13 0.00 0.77 0.00 0.00 58.65 59.19 3ce6 h GLN 169 Cb 0.99 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 28.61 3ce6 h GLN 169 CO 0.09 0.58 -0.23 1.88 -1.93 0.00 0.00 178.83 179.22 3ce6 h TYR 170 N 0.30 1.05 -0.28 3.99 0.05 -1.27 -1.41 116.97 119.40 3ce6 h TYR 170 Ca 0.09 -0.25 0.04 0.00 0.05 0.00 0.00 58.73 58.65 3ce6 h TYR 170 Cb 0.33 -0.25 -0.03 0.00 1.01 0.00 0.00 36.73 37.79 3ce6 h TYR 170 CO 0.02 1.05 0.06 0.93 -1.05 0.00 0.00 178.16 179.17 3ce6 h GLU 171 N 0.79 0.17 -0.01 4.88 5.08 -1.00 -0.30 114.58 124.19 3ce6 h GLU 171 Ca 0.10 -0.01 -0.11 0.00 -1.00 0.00 0.00 59.36 58.35 3ce6 h GLU 171 Cb 0.78 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.98 3ce6 h GLU 171 CO 0.06 0.11 -0.49 0.87 -1.00 0.00 0.00 179.01 178.56 3ce6 h LYS 172 N 0.17 0.02 0.00 2.33 1.57 -0.98 -1.46 116.57 118.23 3ce6 h LYS 172 Ca 0.13 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 3ce6 h LYS 172 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.43 3ce6 h LYS 172 CO -0.16 0.51 0.00 0.00 -0.57 0.00 0.00 179.45 179.23 3ce6 h ALA 173 N 1.49 1.00 -0.02 3.86 0.00 -1.04 -3.48 119.26 121.07 3ce6 h ALA 173 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3ce6 h ALA 173 Cb 0.88 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 3ce6 h ALA 173 CO 0.07 0.00 -0.01 0.41 0.00 0.00 0.00 179.25 179.72 3ce6 n GLY 174 N 0.81 0.42 3.64 0.00 0.00 -0.22 -5.00 105.19 104.83 3ce6 n GLY 174 Ca 0.04 -0.07 -0.10 0.00 0.00 0.00 0.00 46.02 45.88 3ce6 n GLY 174 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ce6 s VAL 175 N -1.81 0.00 -0.32 1.61 0.11 -0.60 -5.00 120.40 114.39 3ce6 s VAL 175 Ca 0.00 0.00 -0.23 0.00 -2.93 0.00 0.00 61.98 58.82 3ce6 s VAL 175 Cb 0.00 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.85 3ce6 s VAL 175 CO 0.00 0.00 0.75 -0.69 -3.33 0.00 0.00 175.10 171.83 3ce6 s VAL 176 N 0.72 4.81 0.58 2.04 1.01 -1.26 -4.59 120.40 123.71 3ce6 s VAL 176 Ca -0.02 1.03 -0.19 0.00 0.00 0.00 0.00 61.98 62.79 3ce6 s VAL 176 Cb -0.05 -4.13 -0.05 0.00 0.00 0.00 0.00 36.38 32.15 3ce6 s VAL 176 CO -0.07 -0.28 1.02 -0.81 0.00 0.00 0.00 175.10 174.97 3ce6 n PRO 177 N 6.19 1.04 -1.33 2.72 -0.04 -1.26 -4.95 135.00 137.37 3ce6 n PRO 177 Ca 0.02 0.39 -0.33 0.00 -0.04 0.00 0.00 63.50 63.55 3ce6 n PRO 177 Cb 0.48 -2.21 0.10 0.00 -0.04 0.00 0.00 33.50 31.83 3ce6 n PRO 177 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 3ce6 s PRO 178 N -2.70 2.08 0.35 0.54 0.04 -1.26 -4.98 135.00 129.07 3ce6 s PRO 178 Ca 0.74 1.53 -0.05 0.00 0.04 0.00 0.00 61.00 63.26 3ce6 s PRO 178 Cb -0.43 -1.85 -0.05 0.00 0.04 0.00 0.00 34.50 32.21 3ce6 s PRO 178 CO 0.48 -1.83 0.64 0.00 0.04 0.00 0.00 177.00 176.33 3ce6 s ALA 179 N -2.36 3.54 0.43 8.56 0.00 -1.26 -5.09 121.76 125.58 3ce6 s ALA 179 Ca 0.69 -0.53 -0.21 0.00 0.00 0.00 0.00 51.96 51.90 3ce6 s ALA 179 Cb -0.24 -2.40 -0.11 0.00 0.00 0.00 0.00 23.12 20.38 3ce6 s ALA 179 CO 0.49 0.05 0.96 -1.21 0.00 0.00 0.00 175.76 176.05 3ce6 s GLU 180 N -3.93 4.19 0.39 0.00 0.41 -1.26 -4.97 118.70 113.53 3ce6 s GLU 180 Ca 0.45 1.16 0.18 0.00 -0.41 0.00 0.00 54.97 56.35 3ce6 s GLU 180 Cb -0.10 -2.20 1.09 0.00 -1.78 0.00 0.00 34.13 31.14 3ce6 s GLU 180 CO 0.34 -0.07 1.77 1.05 -0.49 0.00 0.00 175.26 177.85 3ce6 h GLU 181 N 1.92 0.40 -0.50 1.61 4.11 -2.02 -1.39 114.58 118.70 3ce6 h GLU 181 Ca -0.49 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 58.92 3ce6 h GLU 181 Cb 1.19 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.35 3ce6 h GLU 181 CO 0.61 0.26 0.00 -0.40 0.07 0.00 0.00 179.01 179.55 3ce6 n ASP 182 N -4.65 3.28 -4.74 3.06 5.75 -1.26 -4.92 116.55 113.07 3ce6 n ASP 182 Ca 0.26 -1.97 -0.37 0.00 -0.01 0.00 0.00 54.79 52.69 3ce6 n ASP 182 Cb 0.87 -0.33 0.06 0.00 -1.03 0.00 0.00 41.12 40.69 3ce6 n ASP 182 CO 0.00 0.00 0.00 -1.81 -0.11 0.00 0.00 177.20 175.28 3ce6 s ASP 183 N -1.25 4.88 0.59 -1.12 1.01 -0.53 -4.98 116.67 115.27 3ce6 s ASP 183 Ca 0.40 2.63 -0.20 0.00 0.71 0.00 0.00 52.55 56.10 3ce6 s ASP 183 Cb 0.22 -2.62 -0.03 0.00 1.01 0.00 0.00 42.92 41.49 3ce6 s ASP 183 CO 0.30 -1.82 1.28 -2.84 0.21 0.00 0.00 175.17 172.29 3ce6 s PRO 184 N -3.23 2.95 0.29 8.23 0.02 -1.26 -4.86 135.00 137.14 3ce6 s PRO 184 Ca 0.79 2.02 0.03 0.00 0.02 0.00 0.00 61.00 63.85 3ce6 s PRO 184 Cb -0.37 -2.04 0.71 0.00 0.02 0.00 0.00 34.50 32.82 3ce6 s PRO 184 CO 0.41 -1.27 1.67 0.00 -0.33 0.00 0.00 177.00 177.48 3ce6 h ALA 185 N 1.04 1.33 -0.15 -1.55 0.00 -1.96 0.10 119.26 118.07 3ce6 h ALA 185 Ca -0.51 0.20 -0.12 0.00 0.00 0.00 0.00 54.91 54.49 3ce6 h ALA 185 Cb 1.31 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 19.33 3ce6 h ALA 185 CO 0.56 -0.42 -0.41 1.49 0.00 0.00 0.00 179.25 180.46 3ce6 h GLU 186 N 0.28 0.35 -0.70 0.00 4.81 -2.00 -2.30 114.58 115.02 3ce6 h GLU 186 Ca 0.55 -0.17 -0.05 0.00 -0.13 0.00 0.00 59.36 59.56 3ce6 h GLU 186 Cb 1.09 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.44 3ce6 h GLU 186 CO -0.60 0.71 0.25 2.35 -0.73 0.00 0.00 179.01 180.99 3ce6 h TRP 187 N 0.29 1.10 -0.68 0.92 2.91 -1.33 -0.19 115.95 118.97 3ce6 h TRP 187 Ca 0.03 -0.10 -0.00 0.00 1.13 0.00 0.00 58.89 59.95 3ce6 h TRP 187 Cb 0.85 -0.32 -0.03 0.00 -0.51 0.00 0.00 29.16 29.14 3ce6 h TRP 187 CO 0.02 0.87 0.41 0.87 -1.03 0.00 0.00 178.44 179.58 3ce6 h LYS 188 N 1.02 0.92 -0.08 2.65 1.57 -1.09 0.11 116.57 121.66 3ce6 h LYS 188 Ca 0.23 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 58.92 3ce6 h LYS 188 Cb 0.26 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.37 3ce6 h LYS 188 CO -0.01 0.65 0.02 0.28 -0.57 0.00 0.00 179.45 179.82 3ce6 h VAL 189 N 0.92 1.17 -0.07 0.50 2.07 -1.08 0.26 116.25 120.04 3ce6 h VAL 189 Ca 0.24 -0.52 0.04 0.00 0.82 0.00 0.00 66.70 67.28 3ce6 h VAL 189 Cb -0.03 1.38 -0.05 0.00 -1.52 0.00 0.00 31.29 31.07 3ce6 h VAL 189 CO -0.05 0.15 -0.20 0.15 0.02 0.00 0.00 177.57 177.64 3ce6 h PHE 190 N -0.07 -0.53 -0.41 1.57 3.57 -0.89 -1.37 116.94 118.81 3ce6 h PHE 190 Ca 0.03 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.45 3ce6 h PHE 190 Cb 0.21 0.24 -0.02 0.00 2.79 0.00 0.00 35.95 39.18 3ce6 h PHE 190 CO -0.00 -0.28 -0.14 -0.07 -2.23 0.00 0.00 178.31 175.59 3ce6 h LEU 191 N -0.29 0.74 -0.97 0.59 3.38 -0.62 -2.51 115.31 115.63 3ce6 h LEU 191 Ca 0.08 -0.23 0.08 0.00 0.09 0.00 0.00 57.88 57.90 3ce6 h LEU 191 Cb 0.40 -0.20 -0.07 0.00 0.09 0.00 0.00 40.66 40.88 3ce6 h LEU 191 CO -0.23 0.89 0.62 0.78 0.09 0.00 0.00 178.44 180.59 3ce6 h ASN 192 N 0.67 0.96 -0.29 -0.43 2.35 -0.65 0.32 115.58 118.51 3ce6 h ASN 192 Ca 0.11 0.02 -0.04 0.00 -0.55 0.00 0.00 56.30 55.85 3ce6 h ASN 192 Cb 0.61 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.80 3ce6 h ASN 192 CO 0.04 0.58 0.04 0.25 -1.65 0.00 0.00 177.43 176.68 3ce6 h LEU 193 N 1.07 0.47 -0.17 1.61 6.46 -0.89 -0.79 115.31 123.07 3ce6 h LEU 193 Ca 0.44 -0.27 -0.07 0.00 -0.12 0.00 0.00 57.88 57.86 3ce6 h LEU 193 Cb 0.28 -0.12 -0.00 0.00 -0.73 0.00 0.00 40.66 40.08 3ce6 h LEU 193 CO -0.21 0.62 -0.17 -0.07 -0.62 0.00 0.00 178.44 177.99 3ce6 h LEU 194 N 0.30 0.44 -0.57 2.25 3.38 -1.01 -2.16 115.31 117.93 3ce6 h LEU 194 Ca 0.09 -0.48 -0.00 0.00 0.09 0.00 0.00 57.88 57.57 3ce6 h LEU 194 Cb 0.36 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 3ce6 h LEU 194 CO 0.01 0.83 0.35 -0.09 0.09 0.00 0.00 178.44 179.63 3ce6 h ARG 195 N 0.05 0.77 -0.38 1.13 2.43 -0.27 -1.44 114.38 116.68 3ce6 h ARG 195 Ca 0.03 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.11 3ce6 h ARG 195 Cb 0.71 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 30.08 3ce6 h ARG 195 CO 0.04 0.55 0.15 1.15 -1.51 0.00 0.00 179.97 180.35 3ce6 h THR 196 N 0.77 1.19 -0.33 0.20 2.02 -1.14 -2.51 112.91 113.12 3ce6 h THR 196 Ca 0.21 -0.57 -0.09 0.00 0.77 0.00 0.00 66.41 66.73 3ce6 h THR 196 Cb -0.03 0.87 -0.02 0.00 -1.74 0.00 0.00 68.15 67.23 3ce6 h THR 196 CO -0.04 0.21 -0.16 -0.09 0.37 0.00 0.00 175.52 175.81 3ce6 h ARG 197 N 0.46 0.59 0.00 6.66 9.65 -1.19 -2.61 114.38 127.95 3ce6 h ARG 197 Ca 0.13 -0.20 -0.00 0.00 -1.10 0.00 0.00 59.98 58.81 3ce6 h ARG 197 Cb 0.18 -0.05 -0.00 0.00 -1.39 0.00 0.00 29.97 28.71 3ce6 h ARG 197 CO -0.01 0.73 -0.02 0.35 2.80 0.00 0.00 179.97 183.82 3ce6 h PHE 198 N 0.54 0.00 -0.68 2.20 3.57 -0.83 -0.03 116.94 121.71 3ce6 h PHE 198 Ca 0.09 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.59 3ce6 h PHE 198 Cb 0.58 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.29 3ce6 h PHE 198 CO 0.02 0.02 0.42 0.93 -2.23 0.00 0.00 178.31 177.48 3ce6 h GLU 199 N 0.00 0.91 -0.00 1.11 5.08 -1.15 -3.28 114.58 117.24 3ce6 h GLU 199 Ca -0.00 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 3ce6 h GLU 199 Cb 0.42 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.47 3ce6 h GLU 199 CO 0.00 0.62 -0.03 0.25 -1.00 0.00 0.00 179.01 178.85 3ce6 n THR 200 N -4.41 0.00 -3.45 1.13 -2.24 -0.81 -4.96 114.28 99.55 3ce6 n THR 200 Ca 0.07 -0.48 -0.12 0.00 -2.27 0.00 0.00 64.05 61.25 3ce6 n THR 200 Cb 0.06 1.00 -0.10 0.00 -2.10 0.00 0.00 70.33 69.19 3ce6 n THR 200 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3ce6 s ASP 201 N -0.96 0.50 0.13 3.42 -1.08 -0.09 -5.04 116.67 113.56 3ce6 s ASP 201 Ca 0.00 0.22 0.24 0.00 -0.52 0.00 0.00 52.55 52.49 3ce6 s ASP 201 Cb 0.01 0.90 0.25 0.00 -1.46 0.00 0.00 42.92 42.62 3ce6 s ASP 201 CO 0.03 -0.29 1.25 0.11 0.52 0.00 0.00 175.17 176.78 3ce6 h LYS 202 N 8.23 0.00 0.00 4.34 1.79 -1.84 -3.37 116.57 125.72 3ce6 h LYS 202 Ca -0.18 0.00 -0.07 0.00 -2.18 0.00 0.00 60.65 58.22 3ce6 h LYS 202 Cb 1.15 0.00 -0.15 0.00 -1.58 0.00 0.00 32.23 31.65 3ce6 h LYS 202 CO 0.25 0.00 -0.65 -0.40 -1.08 0.00 0.00 179.45 177.56 3ce6 n ASP 203 N -2.22 0.81 0.15 0.86 5.75 -1.26 -4.82 116.55 115.83 3ce6 n ASP 203 Ca 0.03 -2.31 -0.14 0.00 -0.01 0.00 0.00 54.79 52.35 3ce6 n ASP 203 Cb 0.46 -0.30 -0.07 0.00 -1.03 0.00 0.00 41.12 40.18 3ce6 n ASP 203 CO 0.00 0.00 0.00 0.50 -0.11 0.00 0.00 177.20 177.59 3ce6 h LYS 204 N 0.49 -0.37 -0.22 0.11 3.64 -1.97 -1.75 116.57 116.51 3ce6 h LYS 204 Ca -0.09 0.02 -0.11 0.00 -1.27 0.00 0.00 60.65 59.20 3ce6 h LYS 204 Cb 1.51 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 33.40 3ce6 h LYS 204 CO 0.04 -0.24 -0.34 -1.49 -2.27 0.00 0.00 179.45 175.14 3ce6 h TRP 205 N -0.38 0.54 -0.54 1.91 4.06 -1.90 -0.99 115.95 118.65 3ce6 h TRP 205 Ca -0.01 -0.14 -0.02 0.00 2.06 0.00 0.00 58.89 60.78 3ce6 h TRP 205 Cb 0.33 -0.12 -0.02 0.00 -1.00 0.00 0.00 29.16 28.35 3ce6 h TRP 205 CO -0.11 0.75 0.27 1.15 -3.56 0.00 0.00 178.44 176.94 3ce6 h THR 206 N 0.40 1.20 -0.28 1.49 2.02 -1.82 0.13 112.91 116.04 3ce6 h THR 206 Ca 0.04 -0.55 -0.14 0.00 0.77 0.00 0.00 66.41 66.54 3ce6 h THR 206 Cb 0.79 0.57 -0.01 0.00 -1.74 0.00 0.00 68.15 67.76 3ce6 h THR 206 CO 0.06 0.22 -0.38 0.11 0.37 0.00 0.00 175.52 175.90 3ce6 h LYS 207 N 0.72 0.65 -0.44 6.66 1.79 -1.17 -0.63 116.57 124.15 3ce6 h LYS 207 Ca 0.19 -0.32 -0.02 0.00 -2.18 0.00 0.00 60.65 58.31 3ce6 h LYS 207 Cb 0.11 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.74 3ce6 h LYS 207 CO -0.02 0.92 0.19 0.82 -1.08 0.00 0.00 179.45 180.28 3ce6 h ILE 208 N 0.53 1.19 -0.93 1.86 2.04 -0.82 -2.13 117.51 119.26 3ce6 h ILE 208 Ca 0.05 -0.58 -0.01 0.00 1.00 0.00 0.00 64.86 65.32 3ce6 h ILE 208 Cb 0.90 0.76 -0.04 0.00 -0.74 0.00 0.00 36.82 37.69 3ce6 h ILE 208 CO 0.08 0.22 0.56 0.00 0.00 0.00 0.00 178.15 179.00 3ce6 h ALA 209 N 1.04 1.23 -0.80 1.87 0.00 -0.61 0.15 119.26 122.13 3ce6 h ALA 209 Ca 0.15 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.98 3ce6 h ALA 209 Cb 0.16 -0.38 -0.04 0.00 0.00 0.00 0.00 17.79 17.53 3ce6 h ALA 209 CO -0.01 0.66 0.53 0.93 0.00 0.00 0.00 179.25 181.35 3ce6 h GLU 210 N 1.29 0.99 0.08 0.00 5.08 -1.04 -3.13 114.58 117.85 3ce6 h GLU 210 Ca 0.33 -0.06 -0.25 0.00 -1.00 0.00 0.00 59.36 58.38 3ce6 h GLU 210 Cb -0.05 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 28.97 3ce6 h GLU 210 CO -0.06 0.65 -1.18 1.03 -1.00 0.00 0.00 179.01 178.45 3ce6 h SER 211 N 1.02 0.28 -2.63 1.42 0.87 -0.60 -3.45 113.55 110.45 3ce6 h SER 211 Ca 0.31 -0.30 -0.54 0.00 -1.23 0.00 0.00 61.79 60.02 3ce6 h SER 211 Cb -0.02 -0.09 0.01 0.00 -0.44 0.00 0.00 62.40 61.85 3ce6 h SER 211 CO -0.08 1.24 1.05 -0.69 -0.53 0.00 0.00 176.83 177.82 3ce6 s VAL 212 N -2.67 3.35 -0.20 2.23 1.01 -0.06 -4.53 120.40 119.53 3ce6 s VAL 212 Ca -0.03 0.59 0.22 0.00 0.00 0.00 0.00 61.98 62.77 3ce6 s VAL 212 Cb 0.08 -3.38 -0.05 0.00 0.00 0.00 0.00 36.38 33.02 3ce6 s VAL 212 CO 0.86 -0.03 0.96 0.29 0.00 0.00 0.00 175.10 177.18 3ce6 n LYS 213 N 6.52 0.61 0.00 2.72 5.02 -0.13 -4.80 118.16 128.11 3ce6 n LYS 213 Ca 0.17 0.08 0.00 0.00 -2.02 0.00 0.00 58.31 56.54 3ce6 n LYS 213 Cb 0.42 -1.78 0.00 0.00 -0.02 0.00 0.00 35.03 33.64 3ce6 n LYS 213 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ce6 n GLY 214 N 1.20 0.77 3.24 0.72 0.00 -1.26 -4.18 105.19 105.68 3ce6 n GLY 214 Ca -0.01 -0.67 -0.25 0.00 0.00 0.00 0.00 46.02 45.09 3ce6 n GLY 214 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ce6 s VAL 215 N -2.00 1.61 -0.09 1.61 0.11 -0.49 -1.41 120.40 119.74 3ce6 s VAL 215 Ca 0.00 -1.24 0.00 0.00 -2.93 0.00 0.00 61.98 57.81 3ce6 s VAL 215 Cb 0.00 -1.42 -0.03 0.00 -1.53 0.00 0.00 36.38 33.41 3ce6 s VAL 215 CO 0.00 0.13 -0.08 0.42 -3.33 0.00 0.00 175.10 172.24 3ce6 s THR 216 N -0.87 3.55 -0.08 5.04 -4.23 -0.69 -1.25 115.64 117.10 3ce6 s THR 216 Ca 0.07 -0.52 0.02 0.00 -1.18 0.00 0.00 61.69 60.08 3ce6 s THR 216 Cb -0.09 -2.47 0.01 0.00 1.34 0.00 0.00 72.50 71.29 3ce6 s THR 216 CO 0.02 0.57 -0.12 -0.70 -0.54 0.00 0.00 174.62 173.85 3ce6 s GLU 217 N -0.40 1.78 0.07 3.99 2.56 -0.33 -0.74 118.70 125.63 3ce6 s GLU 217 Ca 0.06 -0.42 0.22 0.00 0.00 0.00 0.00 54.97 54.82 3ce6 s GLU 217 Cb -0.12 -1.52 -0.20 0.00 2.00 0.00 0.00 34.13 34.29 3ce6 s GLU 217 CO 0.02 -0.02 0.71 -1.91 -0.56 0.00 0.00 175.26 173.50 3ce6 n GLU 218 N 4.02 0.64 -4.21 4.30 0.00 -0.43 -0.83 120.64 124.12 3ce6 n GLU 218 Ca -0.21 -0.06 -0.19 0.00 0.00 0.00 0.00 57.16 56.70 3ce6 n GLU 218 Cb 0.51 -1.65 -0.12 0.00 0.00 0.00 0.00 31.44 30.19 3ce6 n GLU 218 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.13 177.05 3ce6 s THR 219 N -3.45 1.29 0.24 6.31 -1.32 -1.26 -3.50 115.64 113.95 3ce6 s THR 219 Ca -0.05 -1.48 -0.05 0.00 -1.21 0.00 0.00 61.69 58.91 3ce6 s THR 219 Cb 0.12 -1.30 0.21 0.00 -1.51 0.00 0.00 72.50 70.02 3ce6 s THR 219 CO 0.86 -0.25 1.73 0.74 -2.21 0.00 0.00 174.62 175.49 3ce6 h THR 220 N 4.01 0.68 -0.61 5.08 2.02 -1.94 -1.22 112.91 120.92 3ce6 h THR 220 Ca -0.42 -0.15 -0.01 0.00 0.77 0.00 0.00 66.41 66.60 3ce6 h THR 220 Cb 1.19 0.19 -0.03 0.00 -1.74 0.00 0.00 68.15 67.76 3ce6 h THR 220 CO 0.43 0.08 0.35 0.74 0.37 0.00 0.00 175.52 177.50 3ce6 h THR 221 N 0.45 1.19 -0.19 3.16 2.02 -1.94 -1.68 112.91 115.92 3ce6 h THR 221 Ca 0.40 -0.45 -0.10 0.00 0.77 0.00 0.00 66.41 67.03 3ce6 h THR 221 Cb 0.59 0.38 -0.01 0.00 -1.74 0.00 0.00 68.15 67.36 3ce6 h THR 221 CO -0.39 0.20 -0.30 1.23 0.37 0.00 0.00 175.52 176.64 3ce6 h GLY 222 N 0.83 0.41 1.65 2.16 0.00 -1.45 -2.39 103.07 104.27 3ce6 h GLY 222 Ca 0.22 -0.34 -0.14 0.00 0.00 0.00 0.00 47.33 47.06 3ce6 h GLY 222 CO -0.04 0.31 -0.53 -2.08 0.00 0.00 0.00 176.54 174.20 3ce6 h VAL 223 N 0.33 1.34 -0.57 4.60 2.07 -0.57 -1.50 116.25 121.95 3ce6 h VAL 223 Ca 0.04 -1.80 0.01 0.00 0.82 0.00 0.00 66.70 65.77 3ce6 h VAL 223 Cb 0.69 1.83 -0.03 0.00 -1.52 0.00 0.00 31.29 32.26 3ce6 h VAL 223 CO 0.05 0.55 0.37 0.25 0.02 0.00 0.00 177.57 178.81 3ce6 h LEU 224 N 0.29 0.63 -1.16 2.57 5.85 -1.02 0.28 115.31 122.75 3ce6 h LEU 224 Ca 0.01 -0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.66 3ce6 h LEU 224 Cb 1.03 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.90 3ce6 h LEU 224 CO 0.09 0.45 -0.04 0.03 -0.34 0.00 0.00 178.44 178.63 3ce6 h ARG 225 N 0.75 0.54 -0.25 1.25 2.47 -1.05 -1.15 114.38 116.95 3ce6 h ARG 225 Ca 0.21 -0.13 0.00 0.00 -1.26 0.00 0.00 59.98 58.81 3ce6 h ARG 225 Cb -0.06 -0.07 -0.01 0.00 -1.65 0.00 0.00 29.97 28.17 3ce6 h ARG 225 CO -0.06 0.59 0.16 -0.07 0.56 0.00 0.00 179.97 181.16 3ce6 h LEU 226 N 0.51 0.29 -1.06 3.04 3.38 -0.43 -0.39 115.31 120.65 3ce6 h LEU 226 Ca 0.10 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 3ce6 h LEU 226 Cb 0.39 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.03 3ce6 h LEU 226 CO 0.02 0.23 0.45 1.88 0.09 0.00 0.00 178.44 181.11 3ce6 h TYR 227 N 0.33 1.08 -0.44 1.13 0.05 -0.26 0.16 116.97 119.03 3ce6 h TYR 227 Ca 0.09 -0.02 -0.10 0.00 0.05 0.00 0.00 58.73 58.75 3ce6 h TYR 227 Cb -0.02 -0.35 -0.02 0.00 1.01 0.00 0.00 36.73 37.35 3ce6 h TYR 227 CO -0.06 0.74 -0.14 1.96 -1.05 0.00 0.00 178.16 179.61 3ce6 h GLN 228 N 1.11 0.81 -0.51 4.88 4.20 -1.04 0.33 115.11 124.89 3ce6 h GLN 228 Ca 0.28 -0.29 -0.10 0.00 0.06 0.00 0.00 58.65 58.60 3ce6 h GLN 228 Cb 0.00 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.71 3ce6 h GLN 228 CO -0.05 0.90 -0.09 0.74 -0.67 0.00 0.00 178.83 179.66 3ce6 h PHE 229 N 0.72 1.07 -0.43 2.96 0.04 -0.62 -3.04 116.94 117.64 3ce6 h PHE 229 Ca 0.12 -0.22 -0.06 0.00 2.80 0.00 0.00 57.97 60.61 3ce6 h PHE 229 Cb 0.64 -0.26 -0.02 0.00 2.20 0.00 0.00 35.95 38.51 3ce6 h PHE 229 CO 0.03 1.01 0.05 0.00 -0.60 0.00 0.00 178.31 178.80 3ce6 h ALA 230 N 0.91 0.58 -0.44 2.45 0.00 -0.67 -0.40 119.26 121.68 3ce6 h ALA 230 Ca 0.13 -0.24 0.03 0.00 0.00 0.00 0.00 54.91 54.83 3ce6 h ALA 230 Cb 0.65 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 3ce6 h ALA 230 CO 0.04 0.32 0.30 0.00 0.00 0.00 0.00 179.25 179.91 3ce6 h ALA 231 N 0.93 1.79 -0.07 0.00 0.00 -0.97 -1.83 119.26 119.11 3ce6 h ALA 231 Ca 0.13 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3ce6 h ALA 231 Cb 0.41 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3ce6 h ALA 231 CO 0.01 0.16 0.00 0.00 0.00 0.00 0.00 179.25 179.42 3ce6 n ALA 232 N -2.49 2.58 -2.08 0.00 0.00 -0.99 -4.92 120.51 112.62 3ce6 n ALA 232 Ca 0.05 -0.38 -0.14 0.00 0.00 0.00 0.00 53.44 52.96 3ce6 n ALA 232 Cb 0.14 -1.21 -0.02 0.00 0.00 0.00 0.00 19.45 18.36 3ce6 n ALA 232 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ce6 n GLY 233 N 1.07 0.15 0.44 0.00 0.00 -0.69 -4.93 105.19 101.23 3ce6 n GLY 233 Ca 0.18 -0.32 0.04 0.00 0.00 0.00 0.00 46.02 45.92 3ce6 n GLY 233 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3ce6 n ASP 234 N -0.54 2.44 -4.57 1.61 8.00 -0.20 -4.89 116.55 118.40 3ce6 n ASP 234 Ca -0.16 -1.84 -0.42 0.00 0.71 0.00 0.00 54.79 53.08 3ce6 n ASP 234 Cb 0.59 -0.13 -0.03 0.00 -0.02 0.00 0.00 41.12 41.53 3ce6 n ASP 234 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3ce6 s LEU 235 N -0.92 3.51 0.00 0.64 2.96 -1.19 -4.86 118.68 118.82 3ce6 s LEU 235 Ca 0.15 -0.00 0.25 0.00 -0.22 0.00 0.00 54.13 54.32 3ce6 s LEU 235 Cb 0.08 -3.07 1.13 0.00 0.50 0.00 0.00 46.19 44.84 3ce6 s LEU 235 CO 0.11 -1.48 1.78 0.00 -1.32 0.00 0.00 176.35 175.44 3ce6 n ALA 236 N 8.40 2.59 -3.12 5.97 0.00 -1.26 -4.80 120.51 128.28 3ce6 n ALA 236 Ca 0.07 -0.38 -0.11 0.00 0.00 0.00 0.00 53.44 53.02 3ce6 n ALA 236 Cb 0.49 -1.23 -0.04 0.00 0.00 0.00 0.00 19.45 18.67 3ce6 n ALA 236 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 3ce6 s PHE 237 N -1.94 -0.30 0.67 0.00 -0.12 -1.26 -4.96 117.98 110.07 3ce6 s PHE 237 Ca 0.37 0.05 -0.16 0.00 -0.05 0.00 0.00 56.93 57.14 3ce6 s PHE 237 Cb 0.19 0.33 0.01 0.00 -0.63 0.00 0.00 43.02 42.91 3ce6 s PHE 237 CO 0.30 -0.72 1.20 -2.14 -0.05 0.00 0.00 175.22 173.82 3ce6 s PRO 238 N -3.59 2.50 0.03 1.99 0.02 -1.26 -4.47 135.00 130.23 3ce6 s PRO 238 Ca 0.01 1.77 0.04 0.00 0.02 0.00 0.00 61.00 62.84 3ce6 s PRO 238 Cb 0.01 -1.88 -0.02 0.00 0.02 0.00 0.00 34.50 32.63 3ce6 s PRO 238 CO -0.11 -1.56 -0.12 0.00 -0.33 0.00 0.00 177.00 174.88 3ce6 s ALA 239 N -1.85 1.03 -0.21 -1.55 0.00 -0.47 -1.40 121.76 117.32 3ce6 s ALA 239 Ca 0.75 -0.75 -0.03 0.00 0.00 0.00 0.00 51.96 51.93 3ce6 s ALA 239 Cb -0.29 -0.15 -0.01 0.00 0.00 0.00 0.00 23.12 22.67 3ce6 s ALA 239 CO 0.41 0.18 -0.06 0.42 0.00 0.00 0.00 175.76 176.71 3ce6 s ILE 240 N -0.82 3.26 -0.76 0.00 1.01 -0.38 -0.60 121.20 122.91 3ce6 s ILE 240 Ca 0.00 -0.53 -0.27 0.00 0.00 0.00 0.00 60.65 59.86 3ce6 s ILE 240 Cb -0.07 -2.47 0.03 0.00 0.01 0.00 0.00 42.46 39.95 3ce6 s ILE 240 CO 0.01 0.44 1.34 0.21 0.00 0.00 0.00 174.94 176.93 3ce6 s ASN 241 N 1.40 6.12 0.13 3.58 3.84 0.54 -1.19 114.94 129.36 3ce6 s ASN 241 Ca 0.05 -0.48 0.11 0.00 0.21 0.00 0.00 52.86 52.74 3ce6 s ASN 241 Cb -0.14 -2.56 -0.14 0.00 -0.55 0.00 0.00 41.25 37.86 3ce6 s ASN 241 CO -0.04 -1.85 1.18 0.58 -2.79 0.00 0.00 177.10 174.18 3ce6 h VAL 242 N 6.16 1.27 -0.96 -5.21 2.07 -1.28 -3.33 116.25 114.98 3ce6 h VAL 242 Ca -0.24 -2.91 0.19 0.00 0.82 0.00 0.00 66.70 64.57 3ce6 h VAL 242 Cb 1.05 2.61 -0.11 0.00 -1.52 0.00 0.00 31.29 33.33 3ce6 h VAL 242 CO 1.29 0.73 0.55 -1.13 0.02 0.00 0.00 177.57 179.02 3ce6 h ASN 243 N 0.00 0.67 -0.42 0.57 -0.73 -1.55 -2.23 115.58 111.89 3ce6 h ASN 243 Ca -0.07 0.11 0.00 0.00 1.87 0.00 0.00 56.30 58.21 3ce6 h ASN 243 Cb 1.70 -0.00 0.00 0.00 0.27 0.00 0.00 38.32 40.29 3ce6 h ASN 243 CO 0.10 0.21 0.00 0.47 -0.37 0.00 0.00 177.43 177.84 3ce6 n ASP 244 N -4.84 3.44 -4.74 1.15 8.00 -1.25 -1.58 116.55 116.74 3ce6 n ASP 244 Ca 0.22 -2.35 -0.40 0.00 0.71 0.00 0.00 54.79 52.97 3ce6 n ASP 244 Cb 0.57 -0.49 0.02 0.00 -0.02 0.00 0.00 41.12 41.20 3ce6 n ASP 244 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3ce6 n SER 245 N 0.62 2.92 -0.19 -2.24 7.64 -0.84 -4.87 113.62 116.66 3ce6 n SER 245 Ca 0.17 1.09 -0.05 0.00 1.01 0.00 0.00 58.87 61.09 3ce6 n SER 245 Cb 0.67 -1.56 0.12 0.00 -1.01 0.00 0.00 64.21 62.43 3ce6 n SER 245 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 3ce6 h VAL 246 N 2.07 1.25 0.00 0.44 2.07 -1.90 -1.36 116.25 118.82 3ce6 h VAL 246 Ca -0.50 -0.91 0.00 0.00 0.82 0.00 0.00 66.70 66.11 3ce6 h VAL 246 Cb 1.28 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 31.67 3ce6 h VAL 246 CO 0.60 0.34 0.00 0.35 0.02 0.00 0.00 177.57 178.88 3ce6 n THR 247 N -4.25 0.01 0.00 2.57 -2.24 -1.26 -2.88 114.28 106.23 3ce6 n THR 247 Ca 0.05 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.83 3ce6 n THR 247 Cb 0.25 -0.57 0.00 0.00 -2.10 0.00 0.00 70.33 67.91 3ce6 n THR 247 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 3ce6 n LYS 248 N -1.01 0.00 -0.27 -0.78 0.00 -0.55 -4.33 118.16 111.22 3ce6 n LYS 248 Ca 0.20 0.00 0.06 0.00 0.00 0.00 0.00 58.31 58.57 3ce6 n LYS 248 Cb 0.10 -0.34 0.20 0.00 0.00 0.00 0.00 35.03 34.99 3ce6 n LYS 248 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 3ce6 h SER 249 N 0.00 0.32 0.73 3.14 4.64 -0.83 0.30 113.55 121.86 3ce6 h SER 249 Ca 0.00 0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 3ce6 h SER 249 Cb 0.00 0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 3ce6 h SER 249 CO 0.00 0.12 -0.09 0.29 -0.87 0.00 0.00 176.83 176.27 3ce6 n LYS 250 N -4.98 0.20 0.03 4.77 4.76 -1.14 -3.17 118.16 118.62 3ce6 n LYS 250 Ca 0.15 -0.04 -0.01 0.00 -2.87 0.00 0.00 58.31 55.55 3ce6 n LYS 250 Cb 0.43 -1.50 -0.00 0.00 -1.84 0.00 0.00 35.03 32.12 3ce6 n LYS 250 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 3ce6 n PHE 251 N -1.37 0.00 0.41 2.13 3.01 -0.35 -4.50 117.46 116.79 3ce6 n PHE 251 Ca 0.09 0.00 -0.18 0.00 1.01 0.00 0.00 57.45 58.38 3ce6 n PHE 251 Cb 0.31 -0.04 -0.09 0.00 -0.01 0.00 0.00 39.48 39.65 3ce6 n PHE 251 CO 0.00 0.00 0.00 0.22 1.01 0.00 0.00 176.76 177.99 3ce6 h ASP 252 N -0.07 -0.87 -0.59 4.37 1.82 -0.67 0.54 116.42 120.95 3ce6 h ASP 252 Ca 0.00 0.01 -0.01 0.00 -0.39 0.00 0.00 57.03 56.65 3ce6 h ASP 252 Cb 0.07 0.23 -0.03 0.00 0.68 0.00 0.00 39.33 40.28 3ce6 h ASP 252 CO 0.00 -0.57 0.35 0.78 -1.61 0.00 0.00 179.24 178.19 3ce6 h ASN 253 N -1.13 0.72 0.00 2.28 4.21 -1.51 -0.71 115.58 119.44 3ce6 h ASN 253 Ca -0.11 -0.04 0.00 0.00 1.21 0.00 0.00 56.30 57.36 3ce6 h ASN 253 Cb 0.81 -0.18 0.00 0.00 -1.12 0.00 0.00 38.32 37.83 3ce6 h ASN 253 CO 0.17 0.56 -0.11 1.17 -1.29 0.00 0.00 177.43 177.93 3ce6 n LYS 254 N -4.41 0.10 0.17 0.81 4.81 -1.21 -3.61 118.16 114.82 3ce6 n LYS 254 Ca 0.06 0.30 0.03 0.00 -0.87 0.00 0.00 58.31 57.83 3ce6 n LYS 254 Cb 0.08 -0.94 0.26 0.00 0.02 0.00 0.00 35.03 34.45 3ce6 n LYS 254 CO 0.00 0.00 0.00 1.88 1.17 0.00 0.00 177.40 180.45 3ce6 h TYR 255 N -0.21 0.00 0.01 5.64 0.05 -0.09 -0.94 116.97 121.43 3ce6 h TYR 255 Ca 0.00 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.78 3ce6 h TYR 255 Cb 0.11 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.85 3ce6 h TYR 255 CO -0.05 0.47 -0.01 0.78 -1.05 0.00 0.00 178.16 178.30 3ce6 h GLY 256 N 2.07 -0.02 1.31 3.88 0.00 0.09 -2.62 103.07 107.79 3ce6 h GLY 256 Ca -0.00 0.01 -0.09 0.00 0.00 0.00 0.00 47.33 47.24 3ce6 h GLY 256 CO 0.06 -0.01 -0.06 -0.84 0.00 0.00 0.00 176.54 175.69 3ce6 h THR 257 N -0.05 1.25 -0.71 4.70 2.02 -1.41 0.21 112.91 118.93 3ce6 h THR 257 Ca -0.00 -1.12 0.10 0.00 0.77 0.00 0.00 66.41 66.16 3ce6 h THR 257 Cb 0.04 0.96 -0.05 0.00 -1.74 0.00 0.00 68.15 67.36 3ce6 h THR 257 CO 0.00 0.39 0.47 -0.09 0.37 0.00 0.00 175.52 176.66 3ce6 h ARG 258 N 0.76 0.55 0.05 6.66 2.43 -1.00 -0.41 114.38 123.42 3ce6 h ARG 258 Ca 0.13 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.27 3ce6 h ARG 258 Cb 0.55 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.98 3ce6 h ARG 258 CO 0.03 0.36 -0.02 1.25 -1.51 0.00 0.00 179.97 180.08 3ce6 h HIS 259 N 0.57 -0.06 0.00 2.20 2.76 -0.95 -3.41 115.15 116.26 3ce6 h HIS 259 Ca 0.33 -0.00 -0.09 0.00 -2.20 0.00 0.00 60.37 58.41 3ce6 h HIS 259 Cb 0.53 0.02 -0.01 0.00 1.55 0.00 0.00 27.41 29.49 3ce6 h HIS 259 CO -0.00 0.57 -1.06 0.66 -1.30 0.00 0.00 177.93 176.80 3ce6 h SER 260 N -0.86 0.00 -0.19 3.26 4.64 -0.59 -3.24 113.55 116.57 3ce6 h SER 260 Ca -0.01 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3ce6 h SER 260 Cb 0.66 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.74 3ce6 h SER 260 CO 0.01 0.32 0.12 0.25 -0.87 0.00 0.00 176.83 176.66 3ce6 h LEU 261 N 0.00 0.23 -0.93 5.97 5.85 -1.31 -1.55 115.31 123.56 3ce6 h LEU 261 Ca -0.07 -0.04 -0.11 0.00 0.84 0.00 0.00 57.88 58.50 3ce6 h LEU 261 Cb 1.31 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 42.27 3ce6 h LEU 261 CO 0.03 0.20 -0.41 0.16 -0.34 0.00 0.00 178.44 178.08 3ce6 h ILE 262 N 0.23 1.31 0.02 4.05 -0.00 -1.79 -0.95 117.51 120.38 3ce6 h ILE 262 Ca 0.07 -1.52 0.01 0.00 -0.00 0.00 0.00 64.86 63.43 3ce6 h ILE 262 Cb 0.01 1.67 -0.02 0.00 -0.00 0.00 0.00 36.82 38.48 3ce6 h ILE 262 CO -0.01 0.45 -0.09 -0.78 -0.00 0.00 0.00 178.15 177.72 3ce6 h ASP 263 N 0.22 -0.26 -0.62 2.16 3.58 -1.57 0.33 116.42 120.26 3ce6 h ASP 263 Ca 0.02 0.04 0.04 0.00 0.42 0.00 0.00 57.03 57.55 3ce6 h ASP 263 Cb 0.82 0.11 -0.04 0.00 1.72 0.00 0.00 39.33 41.93 3ce6 h ASP 263 CO 0.06 -0.14 0.36 1.23 -2.88 0.00 0.00 179.24 177.88 3ce6 h GLY 264 N -0.17 0.89 1.01 -0.78 0.00 -0.83 -0.58 103.07 102.60 3ce6 h GLY 264 Ca 0.03 -0.26 -0.02 0.00 0.00 0.00 0.00 47.33 47.08 3ce6 h GLY 264 CO -0.08 0.20 0.38 -2.22 0.00 0.00 0.00 176.54 174.82 3ce6 h ILE 265 N 0.70 1.22 0.25 2.60 2.04 -0.89 -2.12 117.51 121.31 3ce6 h ILE 265 Ca 0.26 -0.57 -0.00 0.00 1.00 0.00 0.00 64.86 65.55 3ce6 h ILE 265 Cb 0.08 0.29 -0.01 0.00 -0.74 0.00 0.00 36.82 36.44 3ce6 h ILE 265 CO -0.13 0.25 -0.21 0.78 0.00 0.00 0.00 178.15 178.84 3ce6 h ASN 266 N 0.98 -0.54 0.11 1.72 2.35 -0.08 0.11 115.58 120.23 3ce6 h ASN 266 Ca 0.25 0.05 -0.09 0.00 -0.55 0.00 0.00 56.30 55.95 3ce6 h ASN 266 Cb 0.05 0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.59 3ce6 h ASN 266 CO -0.04 -0.32 -0.32 0.03 -1.65 0.00 0.00 177.43 175.14 3ce6 h ARG 267 N -0.47 0.31 -0.22 0.81 3.08 -1.00 0.85 114.38 117.74 3ce6 h ARG 267 Ca -0.01 -0.12 -0.20 0.00 0.07 0.00 0.00 59.98 59.71 3ce6 h ARG 267 Cb 0.42 -0.02 0.01 0.00 0.08 0.00 0.00 29.97 30.46 3ce6 h ARG 267 CO -0.02 0.60 -0.64 0.78 -1.07 0.00 0.00 179.97 179.61 3ce6 h GLY 268 N 1.08 0.91 0.00 0.04 0.00 -1.26 -3.41 103.07 100.43 3ce6 h GLY 268 Ca 0.04 -1.17 0.00 0.00 0.00 0.00 0.00 47.33 46.20 3ce6 h GLY 268 CO 0.05 1.04 -0.65 -1.30 0.00 0.00 0.00 176.54 175.69 3ce6 n THR 269 N -3.99 0.00 -2.31 4.70 -2.24 0.01 -4.94 114.28 105.51 3ce6 n THR 269 Ca -0.06 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.58 3ce6 n THR 269 Cb 0.68 -0.20 -0.01 0.00 -2.10 0.00 0.00 70.33 68.70 3ce6 n THR 269 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3ce6 n ASP 270 N -1.24 -4.37 -4.73 3.42 8.00 0.28 -4.92 116.55 112.99 3ce6 n ASP 270 Ca 0.00 0.17 -0.39 0.00 0.71 0.00 0.00 54.79 55.27 3ce6 n ASP 270 Cb 0.17 -3.72 -0.05 0.00 -0.02 0.00 0.00 41.12 37.50 3ce6 n ASP 270 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ce6 s ALA 271 N -2.67 3.37 0.20 2.24 0.00 -1.26 -4.99 121.76 118.66 3ce6 s ALA 271 Ca 0.00 0.10 -0.32 0.00 0.00 0.00 0.00 51.96 51.74 3ce6 s ALA 271 Cb 0.00 -2.90 -0.14 0.00 0.00 0.00 0.00 23.12 20.09 3ce6 s ALA 271 CO 0.00 -0.04 1.47 -0.11 0.00 0.00 0.00 175.76 177.08 3ce6 n LEU 272 N 3.54 3.05 -0.08 0.00 7.94 -1.26 -4.89 117.00 125.30 3ce6 n LEU 272 Ca -0.03 1.12 -0.20 0.00 -1.11 0.00 0.00 56.01 55.79 3ce6 n LEU 272 Cb 0.51 -1.42 -0.13 0.00 0.53 0.00 0.00 43.42 42.92 3ce6 n LEU 272 CO 0.46 -0.43 -1.12 -0.38 -1.11 0.00 0.00 177.39 174.81 3ce6 n ILE 273 N 2.51 1.61 -1.74 1.96 5.41 -1.26 -4.77 119.36 123.07 3ce6 n ILE 273 Ca 0.14 -0.57 -0.42 0.00 1.00 0.00 0.00 62.75 62.90 3ce6 n ILE 273 Cb 0.30 -1.59 -0.00 0.00 -0.71 0.00 0.00 39.64 37.63 3ce6 n ILE 273 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3ce6 n GLY 274 N 2.07 0.96 2.72 7.39 0.00 -1.03 -1.98 105.19 115.33 3ce6 n GLY 274 Ca -0.41 0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.94 3ce6 n GLY 274 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ce6 n GLY 275 N 0.69 2.75 3.87 -0.02 0.00 -0.30 -4.88 105.19 107.29 3ce6 n GLY 275 Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 3ce6 n GLY 275 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ce6 s LYS 276 N -0.23 3.87 -0.04 1.61 -0.14 -0.84 -4.77 119.74 119.19 3ce6 s LYS 276 Ca 0.00 0.42 -0.27 0.00 -1.36 0.00 0.00 55.97 54.76 3ce6 s LYS 276 Cb 0.00 -2.55 -0.03 0.00 -1.68 0.00 0.00 37.83 33.56 3ce6 s LYS 276 CO 0.00 0.24 0.84 0.15 -0.76 0.00 0.00 175.35 175.82 3ce6 s LYS 277 N -2.96 4.49 -0.07 1.68 1.02 -1.26 -0.37 119.74 122.26 3ce6 s LYS 277 Ca 0.50 1.15 0.03 0.00 0.02 0.00 0.00 55.97 57.67 3ce6 s LYS 277 Cb -0.11 -3.46 0.00 0.00 -0.52 0.00 0.00 37.83 33.74 3ce6 s LYS 277 CO 0.21 -0.02 -0.18 0.08 -0.92 0.00 0.00 175.35 174.52 3ce6 s VAL 278 N 1.01 1.53 -0.24 3.17 1.01 -0.46 0.13 120.40 126.55 3ce6 s VAL 278 Ca 0.44 -0.73 -0.05 0.00 0.00 0.00 0.00 61.98 61.65 3ce6 s VAL 278 Cb -0.19 -1.35 -0.01 0.00 0.00 0.00 0.00 36.38 34.83 3ce6 s VAL 278 CO 0.22 0.44 0.01 -0.22 0.00 0.00 0.00 175.10 175.56 3ce6 s LEU 279 N 0.41 3.23 -0.22 3.92 2.96 0.39 -0.68 118.68 128.69 3ce6 s LEU 279 Ca -0.14 -0.41 -0.06 0.00 -0.22 0.00 0.00 54.13 53.30 3ce6 s LEU 279 Cb -0.16 -1.81 -0.02 0.00 0.50 0.00 0.00 46.19 44.70 3ce6 s LEU 279 CO 0.05 -0.06 0.02 -0.63 -1.32 0.00 0.00 176.35 174.42 3ce6 s ILE 280 N 1.52 4.01 -0.30 6.68 -1.09 -0.13 -0.99 121.20 130.89 3ce6 s ILE 280 Ca 0.05 -0.28 -0.13 0.00 -2.23 0.00 0.00 60.65 58.06 3ce6 s ILE 280 Cb -0.15 -2.84 -0.04 0.00 -1.58 0.00 0.00 42.46 37.85 3ce6 s ILE 280 CO -0.00 0.39 0.25 0.00 -1.23 0.00 0.00 174.94 174.35 3ce6 n GLY 282 N 5.00 1.45 2.64 0.00 0.00 -0.14 -0.11 105.19 114.05 3ce6 n GLY 282 Ca -0.12 -1.51 -0.09 0.00 0.00 0.00 0.00 46.02 44.30 3ce6 n GLY 282 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3ce6 n TYR 283 N 1.70 1.59 -0.27 1.61 9.36 -1.26 -4.22 117.16 125.68 3ce6 n TYR 283 Ca 0.00 -2.54 0.00 0.00 3.32 0.00 0.00 57.90 58.68 3ce6 n TYR 283 Cb 0.00 -0.29 0.00 0.00 -0.63 0.00 0.00 39.34 38.42 3ce6 n TYR 283 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3ce6 n GLY 284 N -0.36 1.20 0.24 2.98 0.00 -1.26 -4.51 105.19 103.48 3ce6 n GLY 284 Ca 0.15 -1.60 -0.13 0.00 0.00 0.00 0.00 46.02 44.44 3ce6 n GLY 284 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3ce6 h ASP 285 N 0.00 0.87 -0.29 1.61 3.32 -1.90 -0.06 116.42 119.97 3ce6 h ASP 285 Ca 0.00 -0.45 -0.05 0.00 0.02 0.00 0.00 57.03 56.54 3ce6 h ASP 285 Cb 0.00 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.29 3ce6 h ASP 285 CO 0.00 1.23 -0.03 0.58 -1.72 0.00 0.00 179.24 179.30 3ce6 h VAL 286 N 0.61 1.27 -0.31 -1.35 2.07 -1.87 -2.05 116.25 114.62 3ce6 h VAL 286 Ca 0.02 -1.00 -0.05 0.00 0.82 0.00 0.00 66.70 66.49 3ce6 h VAL 286 Cb 1.10 1.33 -0.02 0.00 -1.52 0.00 0.00 31.29 32.19 3ce6 h VAL 286 CO 0.11 0.32 -0.04 1.23 0.02 0.00 0.00 177.57 179.21 3ce6 h GLY 287 N 0.32 0.52 0.75 2.17 0.00 -1.69 -0.28 103.07 104.86 3ce6 h GLY 287 Ca 0.08 -0.32 0.04 0.00 0.00 0.00 0.00 47.33 47.13 3ce6 h GLY 287 CO 0.02 0.30 0.28 0.50 0.00 0.00 0.00 176.54 177.64 3ce6 h LYS 288 N 0.46 0.52 -0.74 4.80 1.57 -0.93 0.86 116.57 123.13 3ce6 h LYS 288 Ca 0.10 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.80 3ce6 h LYS 288 Cb 0.37 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.53 3ce6 h LYS 288 CO 0.02 0.35 0.29 0.78 -0.57 0.00 0.00 179.45 180.31 3ce6 h GLY 289 N 0.54 1.19 0.91 3.86 0.00 -0.71 -0.10 103.07 108.75 3ce6 h GLY 289 Ca 0.23 -0.65 -0.02 0.00 0.00 0.00 0.00 47.33 46.89 3ce6 h GLY 289 CO -0.15 0.61 0.10 0.00 0.00 0.00 0.00 176.54 177.11 3ce6 h ALA 291 N 0.94 0.95 -0.46 0.00 0.00 -0.53 -0.81 119.26 119.34 3ce6 h ALA 291 Ca 0.09 -0.42 -0.06 0.00 0.00 0.00 0.00 54.91 54.53 3ce6 h ALA 291 Cb 0.22 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3ce6 h ALA 291 CO -0.01 0.62 0.07 1.49 0.00 0.00 0.00 179.25 181.43 3ce6 h GLU 292 N 0.39 0.77 -0.03 0.00 4.81 -0.72 0.49 114.58 120.29 3ce6 h GLU 292 Ca 0.04 -0.21 0.01 0.00 -0.13 0.00 0.00 59.36 59.07 3ce6 h GLU 292 Cb 0.84 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.12 3ce6 h GLU 292 CO 0.07 0.79 -0.05 0.00 -0.73 0.00 0.00 179.01 179.09 3ce6 h ALA 293 N 0.95 -0.02 -0.21 2.92 0.00 -0.87 -1.09 119.26 120.94 3ce6 h ALA 293 Ca 0.14 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.00 3ce6 h ALA 293 Cb 0.39 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 3ce6 h ALA 293 CO 0.01 -0.53 -0.13 0.52 0.00 0.00 0.00 179.25 179.12 3ce6 h MET 294 N -0.07 0.46 -0.98 0.00 2.86 -0.91 -2.60 114.93 113.69 3ce6 h MET 294 Ca 0.03 -0.21 0.19 0.00 -2.06 0.00 0.00 59.70 57.65 3ce6 h MET 294 Cb 0.12 -0.01 -0.11 0.00 0.06 0.00 0.00 31.60 31.66 3ce6 h MET 294 CO -0.07 0.76 0.57 -0.22 1.06 0.00 0.00 176.91 179.01 3ce6 h LYS 295 N 0.15 0.70 0.00 1.72 3.64 -0.79 -1.13 116.57 120.86 3ce6 h LYS 295 Ca 0.04 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 3ce6 h LYS 295 Cb 0.64 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 32.30 3ce6 h LYS 295 CO 0.04 0.46 -0.09 0.78 -2.27 0.00 0.00 179.45 178.37 3ce6 h GLY 296 N 0.72 0.00 -1.47 5.01 0.00 -0.87 -0.68 103.07 105.78 3ce6 h GLY 296 Ca 0.57 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.90 3ce6 h GLY 296 CO -0.39 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.09 3ce6 n GLN 297 N -3.16 1.99 -0.58 4.80 1.13 -0.69 -4.95 117.38 115.92 3ce6 n GLN 297 Ca 0.02 -1.52 0.00 0.00 -1.94 0.00 0.00 57.00 53.56 3ce6 n GLN 297 Cb 0.45 -1.37 0.00 0.00 0.11 0.00 0.00 30.24 29.42 3ce6 n GLN 297 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3ce6 n GLY 298 N 1.21 0.68 3.82 1.08 0.00 -0.26 -2.45 105.19 109.26 3ce6 n GLY 298 Ca 0.16 -0.29 -0.32 0.00 0.00 0.00 0.00 46.02 45.56 3ce6 n GLY 298 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ce6 s ALA 299 N -2.00 2.74 -0.49 4.61 0.00 -0.51 -1.15 121.76 124.96 3ce6 s ALA 299 Ca 0.00 0.22 -0.13 0.00 0.00 0.00 0.00 51.96 52.04 3ce6 s ALA 299 Cb 0.00 -3.19 0.11 0.00 0.00 0.00 0.00 23.12 20.03 3ce6 s ALA 299 CO 0.00 -0.97 0.41 1.03 0.00 0.00 0.00 175.76 176.23 3ce6 s ARG 300 N -4.57 2.82 -0.18 0.00 0.52 0.50 -4.55 118.95 113.49 3ce6 s ARG 300 Ca 0.60 -1.60 -0.09 0.00 -0.52 0.00 0.00 55.73 54.12 3ce6 s ARG 300 Cb -0.14 -4.11 -0.05 0.00 0.52 0.00 0.00 34.95 31.17 3ce6 s ARG 300 CO 0.46 -1.18 0.12 0.08 0.02 0.00 0.00 175.30 174.80 3ce6 s VAL 301 N 1.53 5.34 0.29 3.52 1.01 -1.26 -1.36 120.40 129.48 3ce6 s VAL 301 Ca 0.04 0.16 0.11 0.00 0.00 0.00 0.00 61.98 62.29 3ce6 s VAL 301 Cb -0.27 -3.41 -0.05 0.00 0.00 0.00 0.00 36.38 32.65 3ce6 s VAL 301 CO 0.03 0.48 -0.17 -0.44 0.00 0.00 0.00 175.10 175.00 3ce6 s SER 302 N 0.10 3.68 0.01 3.32 0.01 0.15 -4.09 113.70 116.88 3ce6 s SER 302 Ca 0.09 -1.03 0.03 0.00 1.31 0.00 0.00 55.95 56.35 3ce6 s SER 302 Cb -0.11 -0.34 -0.01 0.00 0.21 0.00 0.00 66.02 65.76 3ce6 s SER 302 CO -0.01 -0.01 -0.10 -0.69 0.41 0.00 0.00 173.24 172.85 3ce6 s VAL 303 N -2.51 0.76 0.05 3.43 1.01 -0.16 -0.96 120.40 122.02 3ce6 s VAL 303 Ca 0.31 -0.59 0.02 0.00 0.00 0.00 0.00 61.98 61.72 3ce6 s VAL 303 Cb -0.04 -0.67 -0.04 0.00 0.00 0.00 0.00 36.38 35.63 3ce6 s VAL 303 CO 0.16 0.09 0.06 0.42 0.00 0.00 0.00 175.10 175.82 3ce6 s THR 304 N -0.48 4.45 -0.02 3.92 -4.23 0.20 -0.86 115.64 118.61 3ce6 s THR 304 Ca 0.01 -0.68 -0.27 0.00 -1.18 0.00 0.00 61.69 59.58 3ce6 s THR 304 Cb -0.05 -3.08 0.06 0.00 1.34 0.00 0.00 72.50 70.76 3ce6 s THR 304 CO 0.00 0.22 0.59 -1.61 -0.54 0.00 0.00 174.62 173.28 3ce6 s GLU 305 N -2.07 0.99 -0.02 3.99 0.41 -1.26 -0.97 118.70 119.77 3ce6 s GLU 305 Ca 0.26 0.09 0.21 0.00 -0.41 0.00 0.00 54.97 55.12 3ce6 s GLU 305 Cb -0.12 0.46 -0.30 0.00 -1.78 0.00 0.00 34.13 32.39 3ce6 s GLU 305 CO 0.17 -0.32 0.60 0.44 -0.49 0.00 0.00 175.26 175.67 3ce6 n ILE 306 N 0.87 0.00 -3.65 -1.63 -6.64 -1.26 -4.94 119.36 102.11 3ce6 n ILE 306 Ca -0.19 -0.35 -0.38 0.00 -1.77 0.00 0.00 62.75 60.06 3ce6 n ILE 306 Cb 0.57 0.31 -0.12 0.00 -1.44 0.00 0.00 39.64 38.97 3ce6 n ILE 306 CO 0.00 0.00 0.00 -0.62 -1.77 0.00 0.00 176.55 174.16 3ce6 s ASP 307 N -4.03 5.62 0.51 7.28 -1.08 -1.26 -4.96 116.67 118.76 3ce6 s ASP 307 Ca -0.03 -0.29 0.23 0.00 -0.52 0.00 0.00 52.55 51.94 3ce6 s ASP 307 Cb 0.14 -2.03 1.37 0.00 -1.46 0.00 0.00 42.92 40.94 3ce6 s ASP 307 CO 0.89 -0.12 2.08 1.55 0.52 0.00 0.00 175.17 180.09 3ce6 h PRO 308 N 8.34 0.00 0.34 4.34 0.13 -1.98 -0.37 132.00 142.80 3ce6 h PRO 308 Ca -0.34 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.77 3ce6 h PRO 308 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 3ce6 h PRO 308 CO 0.59 0.11 -0.16 0.82 -0.23 0.00 0.00 178.00 179.13 3ce6 h ILE 309 N 0.00 0.56 -0.92 -3.56 2.04 -1.99 -0.08 117.51 113.56 3ce6 h ILE 309 Ca -0.00 -0.66 0.01 0.00 1.00 0.00 0.00 64.86 65.21 3ce6 h ILE 309 Cb 0.25 0.85 -0.05 0.00 -0.74 0.00 0.00 36.82 37.13 3ce6 h ILE 309 CO 0.01 0.11 0.61 0.78 0.00 0.00 0.00 178.15 179.66 3ce6 h ASN 310 N -0.88 1.04 -0.53 1.72 2.35 -1.85 -1.20 115.58 116.23 3ce6 h ASN 310 Ca -0.05 -0.02 0.06 0.00 -0.55 0.00 0.00 56.30 55.74 3ce6 h ASN 310 Cb 0.53 -0.26 -0.05 0.00 0.05 0.00 0.00 38.32 38.59 3ce6 h ASN 310 CO 0.08 0.75 0.24 0.00 -1.65 0.00 0.00 177.43 176.84 3ce6 h ALA 311 N 1.34 0.68 -0.50 -0.83 0.00 -1.04 -1.49 119.26 117.42 3ce6 h ALA 311 Ca 0.34 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.28 3ce6 h ALA 311 Cb -0.13 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3ce6 h ALA 311 CO -0.08 -0.14 0.24 1.25 0.00 0.00 0.00 179.25 180.52 3ce6 h LEU 312 N 0.45 0.62 -0.07 0.00 5.85 -0.24 -1.44 115.31 120.49 3ce6 h LEU 312 Ca 0.25 -0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.91 3ce6 h LEU 312 Cb 0.22 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 41.08 3ce6 h LEU 312 CO -0.21 0.54 0.03 1.56 -0.34 0.00 0.00 178.44 180.01 3ce6 h GLN 313 N 0.70 0.11 -0.46 1.25 4.20 -0.81 -1.14 115.11 118.96 3ce6 h GLN 313 Ca 0.18 -0.02 0.09 0.00 0.06 0.00 0.00 58.65 58.95 3ce6 h GLN 313 Cb 0.08 -0.02 -0.08 0.00 0.30 0.00 0.00 27.48 27.77 3ce6 h GLN 313 CO -0.02 0.25 -0.01 0.00 -0.67 0.00 0.00 178.83 178.38 3ce6 h ALA 314 N 0.85 0.42 -0.54 3.87 0.00 -0.62 -1.77 119.26 121.46 3ce6 h ALA 314 Ca 0.02 0.14 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 3ce6 h ALA 314 Cb 0.18 0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 3ce6 h ALA 314 CO -0.00 -0.39 0.15 0.52 0.00 0.00 0.00 179.25 179.52 3ce6 h MET 315 N 0.10 0.82 0.00 0.00 2.86 -0.99 -0.79 114.93 116.94 3ce6 h MET 315 Ca 0.23 -0.16 -0.01 0.00 -2.06 0.00 0.00 59.70 57.70 3ce6 h MET 315 Cb 0.34 -0.13 -0.00 0.00 0.06 0.00 0.00 31.60 31.87 3ce6 h MET 315 CO -0.39 0.73 -0.04 0.52 1.06 0.00 0.00 176.91 178.79 3ce6 h MET 316 N 0.80 0.00 -0.44 1.72 2.07 -0.68 -1.35 114.93 117.04 3ce6 h MET 316 Ca 0.18 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.81 3ce6 h MET 316 Cb 0.27 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.00 3ce6 h MET 316 CO -0.00 0.04 0.00 0.39 1.07 0.00 0.00 176.91 178.41 3ce6 n GLU 317 N -3.24 2.48 -0.17 1.72 1.02 -0.69 -4.96 120.64 116.79 3ce6 n GLU 317 Ca -0.01 -2.27 0.00 0.00 -0.02 0.00 0.00 57.16 54.85 3ce6 n GLU 317 Cb 0.23 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.18 3ce6 n GLU 317 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3ce6 n GLY 318 N 1.33 0.90 3.31 0.62 0.00 -0.51 -5.05 105.19 105.79 3ce6 n GLY 318 Ca 0.19 -0.15 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 3ce6 n GLY 318 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ce6 s PHE 319 N -2.00 2.56 0.59 1.61 0.08 -0.39 -4.95 117.98 115.47 3ce6 s PHE 319 Ca 0.00 -0.65 -0.20 0.00 0.12 0.00 0.00 56.93 56.20 3ce6 s PHE 319 Cb 0.00 -1.66 -0.03 0.00 -0.57 0.00 0.00 43.02 40.76 3ce6 s PHE 319 CO 0.00 -0.17 1.30 -0.51 -0.10 0.00 0.00 175.22 175.74 3ce6 s ASP 320 N -0.12 5.03 -0.27 1.36 1.01 -1.26 -3.54 116.67 118.88 3ce6 s ASP 320 Ca -0.04 2.62 -0.04 0.00 0.71 0.00 0.00 52.55 55.80 3ce6 s ASP 320 Cb -0.14 -2.62 0.01 0.00 1.01 0.00 0.00 42.92 41.18 3ce6 s ASP 320 CO 0.04 -1.72 0.00 -0.69 0.21 0.00 0.00 175.17 173.02 3ce6 s VAL 321 N -1.40 3.42 0.20 -1.27 1.01 -1.26 -0.98 120.40 120.12 3ce6 s VAL 321 Ca 0.77 -0.82 0.01 0.00 0.00 0.00 0.00 61.98 61.93 3ce6 s VAL 321 Cb -0.37 -2.73 -0.05 0.00 0.00 0.00 0.00 36.38 33.23 3ce6 s VAL 321 CO 0.41 0.17 0.07 0.68 0.00 0.00 0.00 175.10 176.43 3ce6 s VAL 322 N 1.42 0.42 0.30 2.92 -7.23 -0.04 -4.98 120.40 113.21 3ce6 s VAL 322 Ca 0.02 -1.98 -0.05 0.00 -1.81 0.00 0.00 61.98 58.16 3ce6 s VAL 322 Cb -0.17 -2.36 -0.05 0.00 0.56 0.00 0.00 36.38 34.36 3ce6 s VAL 322 CO -0.01 -0.22 0.57 0.42 -0.31 0.00 0.00 175.10 175.54 3ce6 s THR 323 N -3.84 5.01 0.43 5.32 -4.23 -1.26 -4.05 115.64 113.02 3ce6 s THR 323 Ca 0.32 0.07 0.10 0.00 -1.18 0.00 0.00 61.69 61.00 3ce6 s THR 323 Cb 0.07 -3.74 0.28 0.00 1.34 0.00 0.00 72.50 70.46 3ce6 s THR 323 CO 0.08 -0.34 2.05 0.58 -0.54 0.00 0.00 174.62 176.45 3ce6 h VAL 324 N 1.31 1.03 -0.77 2.29 2.07 -1.96 -2.22 116.25 118.00 3ce6 h VAL 324 Ca -0.48 -0.15 -0.04 0.00 0.82 0.00 0.00 66.70 66.85 3ce6 h VAL 324 Cb 1.19 0.55 -0.04 0.00 -1.52 0.00 0.00 31.29 31.48 3ce6 h VAL 324 CO 0.66 0.08 0.33 -0.33 0.02 0.00 0.00 177.57 178.33 3ce6 h GLU 325 N 0.44 1.13 0.00 1.57 3.07 -1.97 -0.22 114.58 118.60 3ce6 h GLU 325 Ca 0.17 -0.18 -0.12 0.00 -0.50 0.00 0.00 59.36 58.72 3ce6 h GLU 325 Cb 0.12 -0.19 -0.02 0.00 -0.84 0.00 0.00 28.75 27.81 3ce6 h GLU 325 CO -0.04 0.90 -0.69 1.05 -1.40 0.00 0.00 179.01 178.83 3ce6 h GLU 326 N 1.11 0.00 0.00 2.33 4.11 -1.85 -3.38 114.58 116.91 3ce6 h GLU 326 Ca 0.26 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.69 3ce6 h GLU 326 Cb 0.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.42 3ce6 h GLU 326 CO -0.03 0.50 -1.34 0.00 0.07 0.00 0.00 179.01 178.22 3ce6 n ALA 327 N -2.26 2.93 -0.33 1.06 0.00 -0.88 -4.63 120.51 116.40 3ce6 n ALA 327 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.09 3ce6 n ALA 327 Cb 0.77 -0.49 0.17 0.00 0.00 0.00 0.00 19.45 19.90 3ce6 n ALA 327 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 3ce6 h ILE 328 N 0.00 1.18 0.00 0.00 6.09 -1.22 -2.06 117.51 121.49 3ce6 h ILE 328 Ca 0.00 -0.41 0.00 0.00 -1.37 0.00 0.00 64.86 63.08 3ce6 h ILE 328 Cb 0.55 -0.13 0.00 0.00 0.47 0.00 0.00 36.82 37.71 3ce6 h ILE 328 CO 0.00 0.22 0.00 1.23 -3.07 0.00 0.00 178.15 176.53 3ce6 h GLY 329 N 1.20 0.00 -0.35 8.18 0.00 -1.82 -3.06 103.07 107.22 3ce6 h GLY 329 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.70 3ce6 h GLY 329 CO -0.10 0.00 -0.73 1.22 0.00 0.00 0.00 176.54 176.93 3ce6 n ASP 330 N -2.48 1.29 -4.73 0.19 8.00 -0.79 -4.05 116.55 113.98 3ce6 n ASP 330 Ca 0.02 -1.14 -0.41 0.00 0.71 0.00 0.00 54.79 53.97 3ce6 n ASP 330 Cb 0.27 0.80 -0.05 0.00 -0.02 0.00 0.00 41.12 42.12 3ce6 n ASP 330 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ce6 s ALA 331 N -2.62 3.27 0.00 2.24 0.00 -1.12 -4.74 121.76 118.80 3ce6 s ALA 331 Ca 0.11 0.61 0.09 0.00 0.00 0.00 0.00 51.96 52.76 3ce6 s ALA 331 Cb 0.15 -3.28 -0.23 0.00 0.00 0.00 0.00 23.12 19.76 3ce6 s ALA 331 CO 0.69 -0.02 0.84 -0.44 0.00 0.00 0.00 175.76 176.83 3ce6 h ASP 332 N 5.37 0.06 -3.47 0.00 3.32 -0.66 -3.40 116.42 117.63 3ce6 h ASP 332 Ca -0.43 -0.09 -0.35 0.00 0.02 0.00 0.00 57.03 56.18 3ce6 h ASP 332 Cb 1.21 -0.02 -0.35 0.00 0.22 0.00 0.00 39.33 40.40 3ce6 h ASP 332 CO 0.71 1.08 -0.75 -0.63 -1.72 0.00 0.00 179.24 177.94 3ce6 s ILE 333 N -2.63 0.14 -0.11 0.35 1.01 -1.04 -1.01 121.20 117.91 3ce6 s ILE 333 Ca -0.04 0.13 0.03 0.00 0.00 0.00 0.00 60.65 60.77 3ce6 s ILE 333 Cb 0.08 -0.25 0.00 0.00 0.01 0.00 0.00 42.46 42.31 3ce6 s ILE 333 CO 0.82 0.15 -0.23 -0.69 0.00 0.00 0.00 174.94 174.99 3ce6 s VAL 334 N 1.16 2.04 -0.08 2.92 1.01 0.11 -0.46 120.40 127.10 3ce6 s VAL 334 Ca -0.08 -0.99 0.02 0.00 0.00 0.00 0.00 61.98 60.93 3ce6 s VAL 334 Cb -0.13 -1.78 0.01 0.00 0.00 0.00 0.00 36.38 34.48 3ce6 s VAL 334 CO -0.02 0.55 -0.13 -0.69 0.00 0.00 0.00 175.10 174.81 3ce6 s VAL 335 N 0.51 1.24 -0.10 2.92 1.01 -0.17 -1.02 120.40 124.79 3ce6 s VAL 335 Ca -0.15 -0.51 -0.17 0.00 0.00 0.00 0.00 61.98 61.15 3ce6 s VAL 335 Cb -0.17 -1.14 -0.05 0.00 0.00 0.00 0.00 36.38 35.02 3ce6 s VAL 335 CO 0.05 0.38 0.45 0.42 0.00 0.00 0.00 175.10 176.41 3ce6 s THR 336 N 0.86 5.17 -0.19 3.92 -4.23 -0.80 -0.38 115.64 119.99 3ce6 s THR 336 Ca -0.10 0.90 0.23 0.00 -1.18 0.00 0.00 61.69 61.54 3ce6 s THR 336 Cb -0.15 -3.79 0.47 0.00 1.34 0.00 0.00 72.50 70.37 3ce6 s THR 336 CO 0.01 0.37 1.15 0.00 -0.54 0.00 0.00 174.62 175.61 3ce6 n ALA 337 N 3.36 2.57 -0.07 3.99 0.00 0.85 -0.37 120.51 130.84 3ce6 n ALA 337 Ca -0.09 -2.51 -0.08 0.00 0.00 0.00 0.00 53.44 50.77 3ce6 n ALA 337 Cb 0.52 -0.83 -0.15 0.00 0.00 0.00 0.00 19.45 18.99 3ce6 n ALA 337 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3ce6 n THR 338 N -0.36 1.36 -0.98 0.00 -2.24 -1.23 -4.35 114.28 106.48 3ce6 n THR 338 Ca 0.05 -0.81 0.00 0.00 -2.27 0.00 0.00 64.05 61.01 3ce6 n THR 338 Cb 0.89 -0.60 0.00 0.00 -2.10 0.00 0.00 70.33 68.52 3ce6 n THR 338 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ce6 n GLY 339 N 1.65 0.87 3.93 3.38 0.00 -1.26 -5.02 105.19 108.74 3ce6 n GLY 339 Ca -0.26 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.55 3ce6 n GLY 339 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3ce6 s ASN 340 N -2.78 5.04 0.33 1.61 3.84 -1.26 -4.97 114.94 116.74 3ce6 s ASN 340 Ca 0.00 -0.84 0.07 0.00 0.21 0.00 0.00 52.86 52.30 3ce6 s ASN 340 Cb 0.00 -0.19 -0.02 0.00 -0.55 0.00 0.00 41.25 40.49 3ce6 s ASN 340 CO 0.00 -0.90 0.41 -1.59 -2.79 0.00 0.00 177.10 172.23 3ce6 s LYS 341 N -4.29 3.04 -1.15 0.43 -2.85 -1.26 -3.93 119.74 109.72 3ce6 s LYS 341 Ca 0.48 -1.07 -0.01 0.00 -1.00 0.00 0.00 55.97 54.37 3ce6 s LYS 341 Cb -0.04 -2.73 -0.01 0.00 -2.06 0.00 0.00 37.83 32.99 3ce6 s LYS 341 CO 0.29 0.11 0.97 -0.25 0.10 0.00 0.00 175.35 176.57 3ce6 n ASP 342 N -1.54 -2.80 -0.06 0.03 8.00 -0.36 -4.90 116.55 114.92 3ce6 n ASP 342 Ca -0.01 -0.62 -0.22 0.00 0.71 0.00 0.00 54.79 54.65 3ce6 n ASP 342 Cb 0.58 -5.05 -0.13 0.00 -0.02 0.00 0.00 41.12 36.51 3ce6 n ASP 342 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 3ce6 h ILE 343 N -1.73 0.80 -3.60 0.53 1.08 -0.95 -3.43 117.51 110.21 3ce6 h ILE 343 Ca -0.58 -2.25 -0.65 0.00 -0.39 0.00 0.00 64.86 60.99 3ce6 h ILE 343 Cb 1.33 2.35 -0.40 0.00 -3.07 0.00 0.00 36.82 37.03 3ce6 h ILE 343 CO 0.48 0.56 -0.72 -0.63 -0.69 0.00 0.00 178.15 177.15 3ce6 s ILE 344 N -2.45 2.14 0.54 -0.67 -1.09 -0.60 -5.01 121.20 114.06 3ce6 s ILE 344 Ca -0.26 -2.32 -0.01 0.00 -2.23 0.00 0.00 60.65 55.83 3ce6 s ILE 344 Cb 0.06 -2.58 0.02 0.00 -1.58 0.00 0.00 42.46 38.38 3ce6 s ILE 344 CO 0.67 -0.63 0.79 -0.04 -1.23 0.00 0.00 174.94 174.51 3ce6 s MET 345 N 0.88 2.73 0.23 2.79 -1.94 -1.26 -0.45 119.30 122.29 3ce6 s MET 345 Ca 0.11 -0.49 -0.08 0.00 -1.71 0.00 0.00 55.69 53.53 3ce6 s MET 345 Cb -0.19 -2.43 0.40 0.00 2.01 0.00 0.00 34.83 34.61 3ce6 s MET 345 CO -0.09 -0.63 1.66 1.25 -0.01 0.00 0.00 175.02 177.20 3ce6 h LEU 346 N 0.05 -0.18 -1.83 -0.03 5.85 -1.94 0.24 115.31 117.46 3ce6 h LEU 346 Ca -0.44 0.16 0.09 0.00 0.84 0.00 0.00 57.88 58.52 3ce6 h LEU 346 Cb 1.28 0.26 -0.02 0.00 0.37 0.00 0.00 40.66 42.55 3ce6 h LEU 346 CO 0.56 -0.10 0.29 -0.08 -0.34 0.00 0.00 178.44 178.77 3ce6 h GLU 347 N 0.17 0.19 -0.09 1.25 4.81 -1.99 -0.28 114.58 118.63 3ce6 h GLU 347 Ca 0.38 -0.01 -0.12 0.00 -0.13 0.00 0.00 59.36 59.48 3ce6 h GLU 347 Cb 0.65 -0.04 0.01 0.00 0.63 0.00 0.00 28.75 29.99 3ce6 h GLU 347 CO -0.56 0.12 -0.42 0.45 -0.73 0.00 0.00 179.01 177.88 3ce6 h HIS 348 N 0.19 0.60 -0.99 0.92 3.86 -1.38 -2.63 115.15 115.71 3ce6 h HIS 348 Ca 0.19 -0.26 0.05 0.00 -1.16 0.00 0.00 60.37 59.19 3ce6 h HIS 348 Cb 0.51 -0.09 -0.06 0.00 1.06 0.00 0.00 27.41 28.83 3ce6 h HIS 348 CO -0.00 1.02 0.65 0.82 0.86 0.00 0.00 177.93 181.27 3ce6 h ILE 349 N 0.00 1.13 0.00 2.45 2.04 -0.60 -0.23 117.51 122.30 3ce6 h ILE 349 Ca -0.03 -0.41 0.00 0.00 1.00 0.00 0.00 64.86 65.42 3ce6 h ILE 349 Cb 1.06 -0.18 0.00 0.00 -0.74 0.00 0.00 36.82 36.96 3ce6 h ILE 349 CO 0.09 0.22 0.00 0.29 0.00 0.00 0.00 178.15 178.75 3ce6 n LYS 350 N -4.47 0.15 0.00 2.37 5.02 -0.17 -1.89 118.16 119.17 3ce6 n LYS 350 Ca 0.14 0.36 0.12 0.00 -2.02 0.00 0.00 58.31 56.92 3ce6 n LYS 350 Cb 0.14 -1.78 0.33 0.00 -0.02 0.00 0.00 35.03 33.70 3ce6 n LYS 350 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3ce6 n ALA 351 N -1.71 3.31 -1.64 7.82 0.00 -0.13 -4.96 120.51 123.20 3ce6 n ALA 351 Ca 0.03 -0.35 -0.32 0.00 0.00 0.00 0.00 53.44 52.80 3ce6 n ALA 351 Cb 0.23 -1.15 0.02 0.00 0.00 0.00 0.00 19.45 18.54 3ce6 n ALA 351 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 3ce6 s MET 352 N -2.83 3.22 0.71 0.00 -1.94 -0.79 -4.02 119.30 113.66 3ce6 s MET 352 Ca 0.16 1.10 -0.12 0.00 -1.71 0.00 0.00 55.69 55.12 3ce6 s MET 352 Cb 0.18 -2.02 0.02 0.00 2.01 0.00 0.00 34.83 35.02 3ce6 s MET 352 CO 0.63 -0.88 1.08 -1.59 -0.01 0.00 0.00 175.02 174.25 3ce6 s LYS 353 N -4.42 2.67 0.26 2.03 -2.85 -1.26 -4.93 119.74 111.24 3ce6 s LYS 353 Ca 0.61 1.14 -0.31 0.00 -1.00 0.00 0.00 55.97 56.42 3ce6 s LYS 353 Cb -0.15 -1.95 -0.11 0.00 -2.06 0.00 0.00 37.83 33.56 3ce6 s LYS 353 CO 0.43 -1.32 1.63 0.34 0.10 0.00 0.00 175.35 176.52 3ce6 s ASP 354 N -3.31 6.39 -1.75 0.03 2.15 -1.26 -1.42 116.67 117.49 3ce6 s ASP 354 Ca 0.61 2.91 0.00 0.00 0.43 0.00 0.00 52.55 56.51 3ce6 s ASP 354 Cb -0.17 -2.62 0.00 0.00 -0.30 0.00 0.00 42.92 39.83 3ce6 s ASP 354 CO 0.51 -0.92 0.00 1.41 -0.17 0.00 0.00 175.17 176.00 3ce6 n HIS 355 N 2.73 0.00 -1.15 -5.34 8.25 0.16 -4.95 115.22 114.92 3ce6 n HIS 355 Ca 0.10 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.22 3ce6 n HIS 355 Cb 0.37 -3.01 0.12 0.00 1.12 0.00 0.00 29.99 28.58 3ce6 n HIS 355 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3ce6 n ALA 356 N 1.31 -0.23 -2.62 -1.41 0.00 -0.51 -4.72 120.51 112.33 3ce6 n ALA 356 Ca -0.16 -0.31 -0.34 0.00 0.00 0.00 0.00 53.44 52.63 3ce6 n ALA 356 Cb 0.60 -2.19 -0.11 0.00 0.00 0.00 0.00 19.45 17.74 3ce6 n ALA 356 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3ce6 s ILE 357 N -2.06 3.70 -0.11 0.00 1.01 -0.18 -0.95 121.20 122.62 3ce6 s ILE 357 Ca 0.72 -0.47 0.01 0.00 0.00 0.00 0.00 60.65 60.91 3ce6 s ILE 357 Cb -0.30 -2.52 0.02 0.00 0.01 0.00 0.00 42.46 39.66 3ce6 s ILE 357 CO 0.52 0.59 -0.14 -0.22 0.00 0.00 0.00 174.94 175.69 3ce6 s LEU 358 N -0.71 1.66 0.17 2.97 2.96 0.66 -0.71 118.68 125.69 3ce6 s LEU 358 Ca 0.11 -0.41 -0.06 0.00 -0.22 0.00 0.00 54.13 53.55 3ce6 s LEU 358 Cb -0.11 -1.04 -0.02 0.00 0.50 0.00 0.00 46.19 45.51 3ce6 s LEU 358 CO 0.02 -0.00 0.22 -0.83 -1.32 0.00 0.00 176.35 174.43 3ce6 s GLY 359 N 1.06 0.80 -0.00 7.98 0.00 -0.19 -1.32 107.32 115.65 3ce6 s GLY 359 Ca -0.05 -1.19 0.06 0.00 0.00 0.00 0.00 44.72 43.53 3ce6 s GLY 359 CO -0.02 -1.05 -0.18 0.21 0.00 0.00 0.00 173.10 172.06 3ce6 s ASN 360 N -3.03 2.08 0.00 1.64 2.47 -1.26 -1.90 114.94 114.94 3ce6 s ASN 360 Ca 0.24 -0.36 0.00 0.00 0.42 0.00 0.00 52.86 53.16 3ce6 s ASN 360 Cb 0.05 -0.21 0.00 0.00 -1.45 0.00 0.00 41.25 39.63 3ce6 s ASN 360 CO 0.04 0.19 0.52 0.00 -3.72 0.00 0.00 177.10 174.13 3ce6 n ILE 361 N 2.46 0.14 -1.43 -5.21 3.06 0.50 -0.79 119.36 118.09 3ce6 n ILE 361 Ca -0.15 -0.52 -0.29 0.00 -2.50 0.00 0.00 62.75 59.29 3ce6 n ILE 361 Cb 0.54 1.02 0.12 0.00 0.54 0.00 0.00 39.64 41.86 3ce6 n ILE 361 CO 0.00 0.00 0.00 -0.83 -2.50 0.00 0.00 176.55 173.22 3ce6 s GLY 362 N -0.14 1.60 0.23 4.50 0.00 -1.19 -4.82 107.32 107.50 3ce6 s GLY 362 Ca 0.00 -0.27 -0.08 0.00 0.00 0.00 0.00 44.72 44.37 3ce6 s GLY 362 CO 0.00 0.22 1.88 0.84 0.00 0.00 0.00 173.10 176.05 3ce6 h HIS 363 N -1.38 1.12 -2.52 1.90 2.76 -1.95 -3.37 115.15 111.72 3ce6 h HIS 363 Ca -0.49 0.01 -0.58 0.00 -2.20 0.00 0.00 60.37 57.10 3ce6 h HIS 363 Cb 1.29 -0.37 -0.11 0.00 1.55 0.00 0.00 27.41 29.77 3ce6 h HIS 363 CO 0.39 0.73 -0.67 -0.06 -1.30 0.00 0.00 177.93 177.03 3ce6 s PHE 364 N -6.03 2.69 -0.80 5.26 0.08 -1.26 -4.62 117.98 113.31 3ce6 s PHE 364 Ca -0.13 -0.21 0.24 0.00 0.12 0.00 0.00 56.93 56.95 3ce6 s PHE 364 Cb 0.16 -1.24 0.92 0.00 -0.57 0.00 0.00 43.02 42.29 3ce6 s PHE 364 CO 0.81 0.58 1.73 -0.40 -0.10 0.00 0.00 175.22 177.83 3ce6 n ASP 365 N -0.52 0.39 0.00 1.36 5.75 -1.26 -3.55 116.55 118.72 3ce6 n ASP 365 Ca -0.08 0.56 0.03 0.00 -0.01 0.00 0.00 54.79 55.29 3ce6 n ASP 365 Cb 0.57 -0.66 0.18 0.00 -1.03 0.00 0.00 41.12 40.19 3ce6 n ASP 365 CO 0.00 0.00 0.00 -0.46 -0.11 0.00 0.00 177.20 176.63 3ce6 n ASN 366 N -1.89 0.00 0.17 -1.12 0.23 -1.26 -2.19 115.26 109.19 3ce6 n ASN 366 Ca 0.05 -1.27 0.04 0.00 -0.53 0.00 0.00 54.58 52.86 3ce6 n ASN 366 Cb 0.30 0.00 0.44 0.00 -2.08 0.00 0.00 39.78 38.44 3ce6 n ASN 366 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 3ce6 h GLU 367 N 0.00 0.12 -5.38 -3.83 5.08 -1.68 -0.96 114.58 107.94 3ce6 h GLU 367 Ca 0.00 -0.03 -0.65 0.00 -1.00 0.00 0.00 59.36 57.68 3ce6 h GLU 367 Cb 0.00 -0.02 -0.25 0.00 0.50 0.00 0.00 28.75 28.98 3ce6 h GLU 367 CO 0.00 0.28 -0.73 0.42 -1.00 0.00 0.00 179.01 177.98 3ce6 s ILE 368 N -4.69 3.34 -0.93 3.13 1.01 -0.93 -0.38 121.20 121.75 3ce6 s ILE 368 Ca -0.05 -0.56 -0.14 0.00 0.00 0.00 0.00 60.65 59.90 3ce6 s ILE 368 Cb 0.16 -2.42 -0.09 0.00 0.01 0.00 0.00 42.46 40.11 3ce6 s ILE 368 CO 0.72 0.52 2.07 -0.67 0.00 0.00 0.00 174.94 177.58 3ce6 n ASP 369 N 3.43 3.88 -0.03 3.58 2.03 0.41 -4.68 116.55 125.18 3ce6 n ASP 369 Ca -0.18 -2.54 -0.02 0.00 0.52 0.00 0.00 54.79 52.56 3ce6 n ASP 369 Cb 0.53 -1.17 0.23 0.00 -0.72 0.00 0.00 41.12 39.98 3ce6 n ASP 369 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 3ce6 h MET 370 N 6.96 0.59 -0.35 -0.67 2.86 -1.87 -1.62 114.93 120.84 3ce6 h MET 370 Ca 0.48 -0.16 0.06 0.00 -2.06 0.00 0.00 59.70 58.02 3ce6 h MET 370 Cb 0.44 -0.07 -0.06 0.00 0.06 0.00 0.00 31.60 31.98 3ce6 h MET 370 CO 1.74 0.67 -0.02 0.00 1.06 0.00 0.00 176.91 180.36 3ce6 h ALA 371 N 1.37 0.29 -0.70 6.32 0.00 -1.97 0.03 119.26 124.59 3ce6 h ALA 371 Ca 0.10 0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.13 3ce6 h ALA 371 Cb 0.48 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 3ce6 h ALA 371 CO 0.03 -0.42 0.46 0.78 0.00 0.00 0.00 179.25 180.10 3ce6 h GLY 372 N 0.07 0.99 0.96 0.00 0.00 -1.88 -1.86 103.07 101.35 3ce6 h GLY 372 Ca 0.17 -0.37 -0.05 0.00 0.00 0.00 0.00 47.33 47.07 3ce6 h GLY 372 CO -0.30 0.37 0.09 -2.00 0.00 0.00 0.00 176.54 174.70 3ce6 h LEU 373 N 0.96 0.71 -1.38 3.11 5.85 -0.88 -1.54 115.31 122.14 3ce6 h LEU 373 Ca 0.26 -0.25 -0.06 0.00 0.84 0.00 0.00 57.88 58.67 3ce6 h LEU 373 Cb -0.10 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 40.73 3ce6 h LEU 373 CO -0.06 0.77 -0.30 -0.33 -0.34 0.00 0.00 178.44 178.19 3ce6 h GLU 374 N 0.61 0.00 -0.02 1.25 5.08 -0.78 -2.61 114.58 118.12 3ce6 h GLU 374 Ca 0.14 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 3ce6 h GLU 374 Cb 0.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.60 3ce6 h GLU 374 CO 0.01 0.30 -0.46 0.54 -1.00 0.00 0.00 179.01 178.40 3ce6 n ARG 375 N -3.87 1.24 0.21 2.33 1.74 -0.72 -4.60 116.66 112.99 3ce6 n ARG 375 Ca -0.02 -1.02 0.14 0.00 -0.77 0.00 0.00 57.85 56.19 3ce6 n ARG 375 Cb 0.38 -1.48 0.51 0.00 -1.02 0.00 0.00 32.46 30.84 3ce6 n ARG 375 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3ce6 h SER 376 N 2.48 0.00 0.00 0.55 4.64 -0.87 -3.47 113.55 116.88 3ce6 h SER 376 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3ce6 h SER 376 Cb 0.76 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.85 3ce6 h SER 376 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 3ce6 n GLY 377 N 0.38 0.46 3.70 -0.77 0.00 -1.26 -5.08 105.19 102.63 3ce6 n GLY 377 Ca 0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 3ce6 n GLY 377 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ce6 n ALA 378 N -1.68 1.24 -2.87 4.61 0.00 -1.26 -4.79 120.51 115.76 3ce6 n ALA 378 Ca 0.00 0.22 -0.35 0.00 0.00 0.00 0.00 53.44 53.31 3ce6 n ALA 378 Cb 0.00 -2.27 -0.05 0.00 0.00 0.00 0.00 19.45 17.13 3ce6 n ALA 378 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3ce6 s THR 379 N -1.24 5.44 -0.11 0.00 -4.23 -0.30 -4.87 115.64 110.33 3ce6 s THR 379 Ca 0.64 0.03 -0.02 0.00 -1.18 0.00 0.00 61.69 61.16 3ce6 s THR 379 Cb -0.48 -3.49 -0.03 0.00 1.34 0.00 0.00 72.50 69.83 3ce6 s THR 379 CO 0.56 0.44 -0.04 -0.60 -0.54 0.00 0.00 174.62 174.44 3ce6 s ARG 380 N -1.57 3.22 -0.16 3.99 3.52 -1.26 -0.43 118.95 126.26 3ce6 s ARG 380 Ca 0.23 -0.50 0.01 0.00 -0.13 0.00 0.00 55.73 55.34 3ce6 s ARG 380 Cb -0.13 -2.79 0.00 0.00 -1.56 0.00 0.00 34.95 30.48 3ce6 s ARG 380 CO 0.13 0.49 -0.17 0.08 -0.81 0.00 0.00 175.30 175.02 3ce6 s VAL 381 N -0.32 2.52 0.04 7.11 1.01 -0.04 -4.98 120.40 125.74 3ce6 s VAL 381 Ca 0.05 -0.82 -0.30 0.00 0.00 0.00 0.00 61.98 60.92 3ce6 s VAL 381 Cb -0.12 -2.06 -0.04 0.00 0.00 0.00 0.00 36.38 34.15 3ce6 s VAL 381 CO 0.02 0.52 1.09 0.21 0.00 0.00 0.00 175.10 176.95 3ce6 s ASN 382 N 0.87 7.22 -0.18 3.32 3.84 -1.26 0.11 114.94 128.86 3ce6 s ASN 382 Ca -0.05 1.85 -0.06 0.00 0.21 0.00 0.00 52.86 54.81 3ce6 s ASN 382 Cb -0.15 -2.58 -0.22 0.00 -0.55 0.00 0.00 41.25 37.76 3ce6 s ASN 382 CO -0.01 -0.37 0.11 0.52 -2.79 0.00 0.00 177.10 174.56 3ce6 n VAL 383 N 3.88 1.65 -3.76 -5.21 0.31 0.24 -4.94 118.33 110.49 3ce6 n VAL 383 Ca 0.07 -0.54 -0.01 0.00 -0.01 0.00 0.00 64.34 63.86 3ce6 n VAL 383 Cb 0.49 -1.69 0.00 0.00 -0.91 0.00 0.00 33.84 31.73 3ce6 n VAL 383 CO 0.00 0.00 0.00 -1.59 -1.32 0.00 0.00 176.83 173.92 3ce6 s LYS 384 N -2.52 0.79 0.26 5.55 -2.85 -1.16 -5.03 119.74 114.78 3ce6 s LYS 384 Ca -0.28 -0.47 -0.30 0.00 -1.00 0.00 0.00 55.97 53.92 3ce6 s LYS 384 Cb 0.08 0.25 -0.13 0.00 -2.06 0.00 0.00 37.83 35.96 3ce6 s LYS 384 CO 0.68 -0.37 1.35 -2.30 0.10 0.00 0.00 175.35 174.81 3ce6 n PRO 385 N -0.59 1.96 -1.40 1.78 -0.02 -1.26 -1.22 135.00 134.25 3ce6 n PRO 385 Ca -0.05 0.70 -0.14 0.00 -2.02 0.00 0.00 63.50 61.99 3ce6 n PRO 385 Cb 0.61 -2.31 -0.06 0.00 -0.02 0.00 0.00 33.50 31.72 3ce6 n PRO 385 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3ce6 n GLN 386 N 1.66 -1.37 -3.83 -0.52 3.00 -1.26 -4.96 117.38 110.10 3ce6 n GLN 386 Ca 0.10 0.97 -0.25 0.00 -0.01 0.00 0.00 57.00 57.81 3ce6 n GLN 386 Cb 0.32 -5.25 -0.17 0.00 0.00 0.00 0.00 30.24 25.14 3ce6 n GLN 386 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 3ce6 s VAL 387 N -2.32 0.69 0.00 5.09 1.01 -0.35 -0.48 120.40 124.05 3ce6 s VAL 387 Ca 0.00 -0.16 0.06 0.00 0.00 0.00 0.00 61.98 61.88 3ce6 s VAL 387 Cb 0.00 -0.84 -0.02 0.00 0.00 0.00 0.00 36.38 35.53 3ce6 s VAL 387 CO 0.00 0.24 -0.19 -1.81 0.00 0.00 0.00 175.10 173.34 3ce6 s ASP 388 N 1.83 2.21 -0.24 3.32 1.01 -0.80 -0.59 116.67 123.41 3ce6 s ASP 388 Ca 0.04 -0.38 -0.07 0.00 0.71 0.00 0.00 52.55 52.84 3ce6 s ASP 388 Cb -0.13 -0.23 -0.03 0.00 1.01 0.00 0.00 42.92 43.54 3ce6 s ASP 388 CO -0.07 0.20 0.07 -0.22 0.21 0.00 0.00 175.17 175.36 3ce6 s LEU 389 N -0.65 3.48 -0.18 1.23 2.96 0.12 -0.76 118.68 124.87 3ce6 s LEU 389 Ca 0.07 -0.17 -0.06 0.00 -0.22 0.00 0.00 54.13 53.75 3ce6 s LEU 389 Cb -0.08 -1.93 -0.03 0.00 0.50 0.00 0.00 46.19 44.66 3ce6 s LEU 389 CO -0.00 -0.01 0.02 0.26 -1.32 0.00 0.00 176.35 175.30 3ce6 s TRP 390 N 1.45 3.12 -0.11 5.38 0.52 0.14 -0.86 118.94 128.59 3ce6 s TRP 390 Ca 0.06 -0.19 0.02 0.00 0.02 0.00 0.00 56.10 56.00 3ce6 s TRP 390 Cb -0.15 -2.06 -0.01 0.00 -1.15 0.00 0.00 33.47 30.10 3ce6 s TRP 390 CO 0.04 -0.03 -0.17 0.99 0.02 0.00 0.00 176.95 177.79 3ce6 s THR 391 N 0.62 2.69 -0.37 2.01 2.01 0.43 -0.13 115.64 122.89 3ce6 s THR 391 Ca 0.01 -0.80 -0.14 0.00 0.31 0.00 0.00 61.69 61.06 3ce6 s THR 391 Cb -0.14 -2.09 0.00 0.00 0.01 0.00 0.00 72.50 70.29 3ce6 s THR 391 CO 0.02 0.54 0.30 -0.36 -0.69 0.00 0.00 174.62 174.43 3ce6 s PHE 392 N 0.25 3.22 0.39 4.92 0.08 -0.23 -1.15 117.98 125.47 3ce6 s PHE 392 Ca -0.12 -0.33 0.18 0.00 0.12 0.00 0.00 56.93 56.78 3ce6 s PHE 392 Cb -0.16 -2.59 1.01 0.00 -0.57 0.00 0.00 43.02 40.70 3ce6 s PHE 392 CO 0.06 -0.49 1.94 0.78 -0.10 0.00 0.00 175.22 177.41 3ce6 h GLY 393 N 8.64 0.00 1.00 4.36 0.00 -1.88 0.80 103.07 115.99 3ce6 h GLY 393 Ca -0.29 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.01 3ce6 h GLY 393 CO 0.69 0.00 0.30 1.29 0.00 0.00 0.00 176.54 178.82 3ce6 h ASP 394 N 0.00 0.85 0.00 0.19 2.03 -1.97 -3.29 116.42 114.23 3ce6 h ASP 394 Ca -0.00 -0.14 -0.03 0.00 -0.73 0.00 0.00 57.03 56.13 3ce6 h ASP 394 Cb 0.49 -0.22 -0.01 0.00 -0.83 0.00 0.00 39.33 38.76 3ce6 h ASP 394 CO 0.03 0.75 -2.00 0.35 -1.03 0.00 0.00 179.24 177.34 3ce6 n THR 395 N -4.47 0.11 -0.46 1.15 -2.24 -1.14 -4.98 114.28 102.23 3ce6 n THR 395 Ca 0.04 -0.51 0.00 0.00 -2.27 0.00 0.00 64.05 61.31 3ce6 n THR 395 Cb 0.14 -0.02 0.00 0.00 -2.10 0.00 0.00 70.33 68.34 3ce6 n THR 395 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ce6 n GLY 396 N 1.34 0.91 3.89 3.38 0.00 0.26 -5.03 105.19 109.94 3ce6 n GLY 396 Ca -0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.63 3ce6 n GLY 396 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ce6 s ARG 397 N -0.45 3.65 0.05 1.61 0.52 -1.21 -4.79 118.95 118.33 3ce6 s ARG 397 Ca 0.00 -0.02 0.09 0.00 -0.52 0.00 0.00 55.73 55.28 3ce6 s ARG 397 Cb 0.00 -2.90 -0.03 0.00 0.52 0.00 0.00 34.95 32.54 3ce6 s ARG 397 CO 0.00 0.50 -0.25 -1.12 0.02 0.00 0.00 175.30 174.45 3ce6 s SER 398 N -2.21 3.00 0.10 0.23 0.01 -1.26 -1.07 113.70 112.50 3ce6 s SER 398 Ca 0.38 -0.59 0.10 0.00 1.31 0.00 0.00 55.95 57.15 3ce6 s SER 398 Cb -0.13 -0.26 -0.04 0.00 0.21 0.00 0.00 66.02 65.81 3ce6 s SER 398 CO 0.22 0.23 -0.26 -0.63 0.41 0.00 0.00 173.24 173.20 3ce6 s ILE 399 N -0.83 2.24 -0.24 1.44 -1.09 0.81 0.39 121.20 123.92 3ce6 s ILE 399 Ca 0.11 -1.62 -0.11 0.00 -2.23 0.00 0.00 60.65 56.80 3ce6 s ILE 399 Cb -0.10 -1.95 -0.05 0.00 -1.58 0.00 0.00 42.46 38.78 3ce6 s ILE 399 CO 0.02 0.19 0.16 -0.63 -1.23 0.00 0.00 174.94 173.45 3ce6 s ILE 400 N -0.97 5.36 -0.17 2.92 1.01 -0.12 -0.68 121.20 128.54 3ce6 s ILE 400 Ca 0.13 0.18 -0.02 0.00 0.00 0.00 0.00 60.65 60.95 3ce6 s ILE 400 Cb -0.10 -3.50 -0.01 0.00 0.01 0.00 0.00 42.46 38.85 3ce6 s ILE 400 CO 0.05 0.34 -0.10 -0.69 0.00 0.00 0.00 174.94 174.54 3ce6 s VAL 401 N 1.10 3.16 -0.10 2.92 1.01 0.06 -0.24 120.40 128.31 3ce6 s VAL 401 Ca 0.08 -0.60 -0.18 0.00 0.00 0.00 0.00 61.98 61.28 3ce6 s VAL 401 Cb -0.14 -2.37 -0.05 0.00 0.00 0.00 0.00 36.38 33.83 3ce6 s VAL 401 CO 0.05 0.49 0.46 -0.76 0.00 0.00 0.00 175.10 175.34 3ce6 s LEU 402 N 0.80 4.31 -1.41 3.92 1.43 -0.44 -1.90 118.68 125.39 3ce6 s LEU 402 Ca -0.04 0.83 -0.04 0.00 -1.03 0.00 0.00 54.13 53.85 3ce6 s LEU 402 Cb -0.15 -2.67 0.02 0.00 0.03 0.00 0.00 46.19 43.42 3ce6 s LEU 402 CO 0.01 0.06 0.37 -1.20 0.23 0.00 0.00 176.35 175.82 3ce6 n SER 403 N 3.35 -4.97 -3.28 2.29 7.64 0.37 -1.13 113.62 117.90 3ce6 n SER 403 Ca -0.08 -0.18 -0.20 0.00 1.01 0.00 0.00 58.87 59.41 3ce6 n SER 403 Cb 0.52 -4.09 -0.02 0.00 -1.01 0.00 0.00 64.21 59.61 3ce6 n SER 403 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3ce6 n GLU 404 N -3.56 -2.71 -0.51 1.43 1.02 -1.26 -0.42 120.64 114.62 3ce6 n GLU 404 Ca -0.11 0.32 0.00 0.00 -0.02 0.00 0.00 57.16 57.34 3ce6 n GLU 404 Cb 0.61 -4.94 0.00 0.00 -0.02 0.00 0.00 31.44 27.08 3ce6 n GLU 404 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3ce6 n GLY 405 N -0.96 1.27 3.87 0.62 0.00 -0.28 -4.97 105.19 104.73 3ce6 n GLY 405 Ca -0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 3ce6 n GLY 405 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ce6 s ARG 406 N -0.27 2.83 -0.07 1.61 3.00 0.44 -4.17 118.95 122.31 3ce6 s ARG 406 Ca 0.00 0.53 -0.34 0.00 0.00 0.00 0.00 55.73 55.92 3ce6 s ARG 406 Cb 0.00 -2.01 -0.12 0.00 0.00 0.00 0.00 34.95 32.82 3ce6 s ARG 406 CO 0.00 -1.07 1.85 1.47 0.00 0.00 0.00 175.30 177.55 3ce6 n LEU 407 N -3.04 3.38 0.16 2.53 -0.00 -1.25 -4.54 117.00 114.22 3ce6 n LEU 407 Ca 0.07 0.99 0.06 0.00 -0.00 0.00 0.00 56.01 57.12 3ce6 n LEU 407 Cb 0.57 -1.37 0.06 0.00 -0.00 0.00 0.00 43.42 42.68 3ce6 n LEU 407 CO 0.57 -0.09 0.50 0.17 -0.00 0.00 0.00 177.39 178.54 3ce6 h LEU 408 N 8.84 0.00 -0.47 1.47 8.10 -1.28 -1.82 115.31 130.16 3ce6 h LEU 408 Ca -0.48 0.00 -0.06 0.00 0.11 0.00 0.00 57.88 57.45 3ce6 h LEU 408 Cb 1.27 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 41.47 3ce6 h LEU 408 CO 0.94 0.32 0.07 -0.55 -4.11 0.00 0.00 178.44 175.11 3ce6 h ASN 409 N 0.00 0.75 1.31 0.17 -1.07 -1.83 0.69 115.58 115.59 3ce6 h ASN 409 Ca -0.01 -0.27 -0.14 0.00 0.07 0.00 0.00 56.30 55.95 3ce6 h ASN 409 Cb 1.25 -0.20 -0.02 0.00 -2.07 0.00 0.00 38.32 37.29 3ce6 h ASN 409 CO 0.04 0.83 -0.66 -0.07 0.07 0.00 0.00 177.43 177.64 3ce6 h LEU 410 N 0.65 0.00 0.12 6.14 3.38 -1.81 -1.18 115.31 122.60 3ce6 h LEU 410 Ca 0.14 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.84 3ce6 h LEU 410 Cb 0.40 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 3ce6 h LEU 410 CO 0.01 0.66 -1.40 1.23 0.09 0.00 0.00 178.44 179.03 3ce6 h GLY 411 N 3.27 0.29 0.61 0.83 0.00 -1.15 -3.37 103.07 103.56 3ce6 h GLY 411 Ca -0.01 -0.74 0.00 0.00 0.00 0.00 0.00 47.33 46.58 3ce6 h GLY 411 CO 0.09 0.65 -1.05 0.70 0.00 0.00 0.00 176.54 176.92 3ce6 n ASN 412 N -3.92 0.61 0.00 0.19 3.02 0.22 -4.91 115.26 110.46 3ce6 n ASN 412 Ca -0.24 -0.16 0.00 0.00 -0.03 0.00 0.00 54.58 54.15 3ce6 n ASN 412 Cb 0.90 0.80 0.00 0.00 -0.61 0.00 0.00 39.78 40.88 3ce6 n ASN 412 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3ce6 n ALA 413 N -1.87 0.00 -0.64 5.41 0.00 -0.92 -4.48 120.51 118.01 3ce6 n ALA 413 Ca 0.02 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.48 3ce6 n ALA 413 Cb 0.45 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.94 3ce6 n ALA 413 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3ce6 n THR 414 N 0.00 0.99 -3.54 0.00 -2.24 -1.00 -4.65 114.28 103.84 3ce6 n THR 414 Ca 0.00 -1.10 0.00 0.00 -2.27 0.00 0.00 64.05 60.68 3ce6 n THR 414 Cb 0.00 0.38 0.00 0.00 -2.10 0.00 0.00 70.33 68.61 3ce6 n THR 414 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ce6 n GLY 415 N -0.63 -1.85 3.75 3.38 0.00 -0.49 -4.84 105.19 104.51 3ce6 n GLY 415 Ca 0.04 -1.46 -0.33 0.00 0.00 0.00 0.00 46.02 44.27 3ce6 n GLY 415 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3ce6 s HIS 416 N 0.00 2.44 0.49 1.61 3.76 -1.26 -4.71 115.29 117.61 3ce6 s HIS 416 Ca 0.00 1.57 -0.21 0.00 -0.15 0.00 0.00 55.06 56.27 3ce6 s HIS 416 Cb 0.00 -3.26 -0.08 0.00 1.11 0.00 0.00 32.58 30.35 3ce6 s HIS 416 CO 0.00 -1.98 1.07 -1.25 -0.85 0.00 0.00 174.74 171.73 3ce6 s PRO 417 N -4.03 3.75 0.31 8.40 0.04 -1.26 -4.84 135.00 137.37 3ce6 s PRO 417 Ca 0.69 1.46 0.05 0.00 0.04 0.00 0.00 61.00 63.25 3ce6 s PRO 417 Cb -0.23 -2.15 0.83 0.00 0.04 0.00 0.00 34.50 32.99 3ce6 s PRO 417 CO 0.42 -0.49 1.61 0.77 0.04 0.00 0.00 177.00 179.36 3ce6 h SER 418 N 1.63 -0.09 0.56 6.66 0.02 -1.94 -1.25 113.55 119.14 3ce6 h SER 418 Ca -0.49 0.23 -0.09 0.00 -0.84 0.00 0.00 61.79 60.60 3ce6 h SER 418 Cb 1.23 0.33 -0.01 0.00 0.14 0.00 0.00 62.40 64.09 3ce6 h SER 418 CO 0.59 -0.26 -0.42 0.15 -1.14 0.00 0.00 176.83 175.75 3ce6 h PHE 419 N 0.12 0.00 -0.08 3.45 3.04 -1.90 0.15 116.94 121.72 3ce6 h PHE 419 Ca 0.62 0.00 -0.09 0.00 3.98 0.00 0.00 57.97 62.48 3ce6 h PHE 419 Cb 1.34 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.86 3ce6 h PHE 419 CO -0.29 0.42 -0.28 0.28 -2.02 0.00 0.00 178.31 176.42 3ce6 h VAL 420 N 0.00 1.41 0.00 1.41 2.07 -1.62 -3.16 116.25 116.36 3ce6 h VAL 420 Ca -0.00 -1.65 0.00 0.00 0.82 0.00 0.00 66.70 65.87 3ce6 h VAL 420 Cb 0.81 2.24 0.00 0.00 -1.52 0.00 0.00 31.29 32.83 3ce6 h VAL 420 CO 0.05 0.47 0.00 0.24 0.02 0.00 0.00 177.57 178.36 3ce6 h MET 421 N -0.13 0.00 -0.71 1.57 2.86 -0.44 -1.69 114.93 116.38 3ce6 h MET 421 Ca -0.01 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.60 3ce6 h MET 421 Cb 0.91 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.54 3ce6 h MET 421 CO 0.06 0.00 0.34 1.03 1.06 0.00 0.00 176.91 179.40 3ce6 h SER 422 N 0.00 0.91 0.06 1.22 0.87 -0.69 0.25 113.55 116.17 3ce6 h SER 422 Ca 0.00 -0.10 -0.00 0.00 -1.23 0.00 0.00 61.79 60.46 3ce6 h SER 422 Cb 0.30 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 62.02 3ce6 h SER 422 CO 0.00 0.77 -0.03 0.78 -0.53 0.00 0.00 176.83 177.82 3ce6 h ASN 423 N 1.00 -0.07 -0.72 6.23 4.21 -1.42 -1.76 115.58 123.06 3ce6 h ASN 423 Ca 0.25 -0.19 -0.03 0.00 1.21 0.00 0.00 56.30 57.53 3ce6 h ASN 423 Cb 0.10 0.02 -0.03 0.00 -1.12 0.00 0.00 38.32 37.29 3ce6 h ASN 423 CO -0.03 0.15 0.32 0.28 -1.29 0.00 0.00 177.43 176.85 3ce6 h SER 424 N -0.28 0.97 1.45 5.81 0.02 -1.44 -1.47 113.55 118.60 3ce6 h SER 424 Ca -0.01 -0.15 -0.07 0.00 -0.84 0.00 0.00 61.79 60.72 3ce6 h SER 424 Cb 0.25 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 3ce6 h SER 424 CO 0.01 0.85 -0.57 -0.26 -1.14 0.00 0.00 176.83 175.73 3ce6 h PHE 425 N 1.02 0.00 -0.30 3.45 0.04 -0.57 0.49 116.94 121.06 3ce6 h PHE 425 Ca 0.24 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.99 3ce6 h PHE 425 Cb 0.17 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.30 3ce6 h PHE 425 CO 0.01 0.32 0.10 0.00 -0.60 0.00 0.00 178.31 178.14 3ce6 h ALA 426 N 1.68 0.40 -0.49 2.45 0.00 -1.09 -0.05 119.26 122.16 3ce6 h ALA 426 Ca -0.03 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 3ce6 h ALA 426 Cb 1.26 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 3ce6 h ALA 426 CO 0.04 0.02 0.25 -0.91 0.00 0.00 0.00 179.25 178.65 3ce6 h ASN 427 N 0.33 0.64 -0.79 0.00 -0.26 -0.96 -0.45 115.58 114.09 3ce6 h ASN 427 Ca 0.10 -0.12 0.04 0.00 -0.56 0.00 0.00 56.30 55.76 3ce6 h ASN 427 Cb 0.23 -0.16 -0.05 0.00 -1.06 0.00 0.00 38.32 37.28 3ce6 h ASN 427 CO -0.00 0.57 0.50 -0.61 -1.06 0.00 0.00 177.43 176.83 3ce6 h GLN 428 N 0.65 0.93 -0.19 0.81 4.15 -0.75 -0.68 115.11 120.04 3ce6 h GLN 428 Ca 0.17 -0.06 -0.03 0.00 0.77 0.00 0.00 58.65 59.50 3ce6 h GLN 428 Cb 0.10 -0.21 -0.01 0.00 0.21 0.00 0.00 27.48 27.57 3ce6 h GLN 428 CO -0.02 0.62 0.01 1.15 -1.93 0.00 0.00 178.83 178.65 3ce6 h THR 429 N 0.96 1.25 -0.45 2.39 2.02 -0.66 0.58 112.91 119.00 3ce6 h THR 429 Ca 0.32 -0.84 -0.03 0.00 0.77 0.00 0.00 66.41 66.62 3ce6 h THR 429 Cb 0.04 1.43 -0.02 0.00 -1.74 0.00 0.00 68.15 67.86 3ce6 h THR 429 CO -0.12 0.26 0.15 0.40 0.37 0.00 0.00 175.52 176.58 3ce6 h ILE 430 N 0.10 1.22 -0.75 3.11 2.04 -0.91 -0.77 117.51 121.54 3ce6 h ILE 430 Ca 0.06 -0.70 0.02 0.00 1.00 0.00 0.00 64.86 65.23 3ce6 h ILE 430 Cb 0.38 0.83 -0.04 0.00 -0.74 0.00 0.00 36.82 37.25 3ce6 h ILE 430 CO 0.01 0.26 0.49 0.00 0.00 0.00 0.00 178.15 178.91 3ce6 h ALA 431 N 1.00 0.97 -0.18 1.87 0.00 -0.86 -0.06 119.26 122.00 3ce6 h ALA 431 Ca 0.15 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3ce6 h ALA 431 Cb 0.24 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3ce6 h ALA 431 CO -0.01 0.33 0.09 0.37 0.00 0.00 0.00 179.25 180.03 3ce6 h GLN 432 N 0.99 0.26 -0.33 0.00 5.75 -0.30 -1.43 115.11 120.05 3ce6 h GLN 432 Ca 0.29 -0.04 0.06 0.00 -0.15 0.00 0.00 58.65 58.80 3ce6 h GLN 432 Cb -0.07 -0.05 -0.05 0.00 1.07 0.00 0.00 27.48 28.39 3ce6 h GLN 432 CO -0.08 0.30 0.01 0.82 -2.65 0.00 0.00 178.83 177.23 3ce6 h ILE 433 N 0.17 0.77 -0.12 2.39 2.04 -0.90 -1.37 117.51 120.48 3ce6 h ILE 433 Ca 0.06 -0.04 -0.01 0.00 1.00 0.00 0.00 64.86 65.87 3ce6 h ILE 433 Cb 0.12 0.65 -0.00 0.00 -0.74 0.00 0.00 36.82 36.84 3ce6 h ILE 433 CO -0.01 0.02 0.02 -0.33 0.00 0.00 0.00 178.15 177.85 3ce6 h GLU 434 N 0.11 0.20 -0.32 2.37 4.39 -0.66 -0.85 114.58 119.82 3ce6 h GLU 434 Ca 0.16 -0.05 -0.07 0.00 0.34 0.00 0.00 59.36 59.74 3ce6 h GLU 434 Cb 0.21 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.82 3ce6 h GLU 434 CO -0.26 0.40 -0.09 -0.07 -1.16 0.00 0.00 179.01 177.83 3ce6 h LEU 435 N -0.03 0.52 0.10 1.33 3.38 -1.19 -1.01 115.31 118.40 3ce6 h LEU 435 Ca 0.04 -0.13 -0.19 0.00 0.09 0.00 0.00 57.88 57.69 3ce6 h LEU 435 Cb 0.30 -0.14 0.02 0.00 0.09 0.00 0.00 40.66 40.93 3ce6 h LEU 435 CO 0.00 0.65 -0.79 -0.25 0.09 0.00 0.00 178.44 178.14 3ce6 h TRP 436 N 0.50 0.62 0.00 1.13 2.91 -1.10 -3.09 115.95 116.92 3ce6 h TRP 436 Ca 0.10 -0.40 0.00 0.00 1.13 0.00 0.00 58.89 59.71 3ce6 h TRP 436 Cb 0.46 -0.04 0.00 0.00 -0.51 0.00 0.00 29.16 29.07 3ce6 h TRP 436 CO 0.02 1.28 -1.17 0.25 -1.03 0.00 0.00 178.44 177.78 3ce6 n THR 437 N -4.12 0.37 -1.84 2.65 -2.24 -0.34 -4.12 114.28 104.64 3ce6 n THR 437 Ca -0.13 -0.44 0.05 0.00 -2.27 0.00 0.00 64.05 61.26 3ce6 n THR 437 Cb 0.79 -0.12 0.15 0.00 -2.10 0.00 0.00 70.33 69.05 3ce6 n THR 437 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3ce6 n LYS 438 N -2.38 1.07 -0.25 -0.78 5.02 -0.39 -4.92 118.16 115.53 3ce6 n LYS 438 Ca -0.00 -2.83 0.14 0.00 -2.02 0.00 0.00 58.31 53.59 3ce6 n LYS 438 Cb 0.52 -1.12 0.42 0.00 -0.02 0.00 0.00 35.03 34.83 3ce6 n LYS 438 CO 0.00 0.00 0.00 -0.97 -0.52 0.00 0.00 177.40 175.91 3ce6 h ASN 439 N 0.92 0.58 0.30 4.39 -0.73 -1.68 -0.48 115.58 118.88 3ce6 h ASN 439 Ca -0.07 0.04 -0.01 0.00 1.87 0.00 0.00 56.30 58.14 3ce6 h ASN 439 Cb 1.27 -0.07 -0.00 0.00 0.27 0.00 0.00 38.32 39.79 3ce6 h ASN 439 CO 0.03 0.28 -0.03 0.44 -0.37 0.00 0.00 177.43 177.78 3ce6 h ASP 440 N 0.61 0.00 0.11 1.15 3.32 -1.91 -2.66 116.42 117.04 3ce6 h ASP 440 Ca 0.45 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.50 3ce6 h ASP 440 Cb 0.82 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.37 3ce6 h ASP 440 CO -0.20 0.03 0.00 -0.62 -1.72 0.00 0.00 179.24 176.74 3ce6 n GLU 441 N -3.34 0.68 -5.17 3.56 1.02 -0.19 -4.81 120.64 112.40 3ce6 n GLU 441 Ca -0.02 0.01 -0.32 0.00 -0.02 0.00 0.00 57.16 56.81 3ce6 n GLU 441 Cb 0.16 -1.50 -0.17 0.00 -0.02 0.00 0.00 31.44 29.92 3ce6 n GLU 441 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 3ce6 s TYR 442 N -2.14 2.57 0.69 -0.32 1.51 -1.00 -5.13 117.35 113.52 3ce6 s TYR 442 Ca 0.34 -0.93 -0.01 0.00 -1.01 0.00 0.00 57.07 55.47 3ce6 s TYR 442 Cb 0.17 -1.71 0.14 0.00 -0.11 0.00 0.00 41.96 40.45 3ce6 s TYR 442 CO 0.31 -0.35 0.94 -0.25 -1.11 0.00 0.00 175.55 175.09 3ce6 n ASP 443 N 3.40 1.22 -3.58 2.29 8.00 -1.26 -4.85 116.55 121.76 3ce6 n ASP 443 Ca -0.19 -2.04 -0.41 0.00 0.71 0.00 0.00 54.79 52.87 3ce6 n ASP 443 Cb 0.53 -0.61 -0.01 0.00 -0.02 0.00 0.00 41.12 41.00 3ce6 n ASP 443 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3ce6 n ASN 444 N -2.94 5.94 -3.76 -2.24 3.02 -1.26 -3.98 115.26 110.03 3ce6 n ASN 444 Ca 0.15 -2.79 -0.20 0.00 -0.03 0.00 0.00 54.58 51.71 3ce6 n ASN 444 Cb 0.55 -1.59 -0.09 0.00 -0.61 0.00 0.00 39.78 38.04 3ce6 n ASN 444 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3ce6 s GLU 445 N 2.31 1.70 -0.22 3.52 2.02 -1.26 -4.83 118.70 121.95 3ce6 s GLU 445 Ca 0.55 -1.99 -0.16 0.00 0.02 0.00 0.00 54.97 53.39 3ce6 s GLU 445 Cb 0.15 0.00 -0.04 0.00 0.10 0.00 0.00 34.13 34.35 3ce6 s GLU 445 CO -0.07 -0.54 0.41 0.08 0.02 0.00 0.00 175.26 175.16 3ce6 s VAL 446 N -3.50 5.18 0.14 2.63 1.01 -1.26 -1.37 120.40 123.24 3ce6 s VAL 446 Ca 0.35 0.70 0.06 0.00 0.00 0.00 0.00 61.98 63.10 3ce6 s VAL 446 Cb 0.03 -3.73 -0.04 0.00 0.00 0.00 0.00 36.38 32.64 3ce6 s VAL 446 CO 0.21 0.22 0.00 -0.31 0.00 0.00 0.00 175.10 175.22 3ce6 s TYR 447 N 1.54 2.90 0.21 5.22 1.51 0.23 -4.95 117.35 124.01 3ce6 s TYR 447 Ca 0.19 -0.10 0.08 0.00 -1.01 0.00 0.00 57.07 56.23 3ce6 s TYR 447 Cb -0.15 -1.44 -0.04 0.00 -0.11 0.00 0.00 41.96 40.22 3ce6 s TYR 447 CO 0.08 0.50 -0.00 1.03 -1.11 0.00 0.00 175.55 176.05 3ce6 s ARG 448 N -2.72 2.35 0.51 -0.62 0.52 -1.26 -0.34 118.95 117.39 3ce6 s ARG 448 Ca 0.27 -1.24 -0.21 0.00 -0.52 0.00 0.00 55.73 54.02 3ce6 s ARG 448 Cb -0.10 -2.27 -0.06 0.00 0.52 0.00 0.00 34.95 33.04 3ce6 s ARG 448 CO 0.18 0.42 1.19 -0.51 0.02 0.00 0.00 175.30 176.60 3ce6 s LEU 449 N -3.26 3.87 0.65 2.53 1.43 -1.26 -4.97 118.68 117.67 3ce6 s LEU 449 Ca 0.29 2.36 -0.17 0.00 -1.03 0.00 0.00 54.13 55.58 3ce6 s LEU 449 Cb -0.08 -4.38 -0.01 0.00 0.03 0.00 0.00 46.19 41.75 3ce6 s LEU 449 CO 0.19 -1.20 1.24 -2.16 0.23 0.00 0.00 176.35 174.64 3ce6 s PRO 450 N -2.97 2.59 0.34 1.29 0.05 -1.26 -4.89 135.00 130.15 3ce6 s PRO 450 Ca 0.69 1.88 0.08 0.00 0.05 0.00 0.00 61.00 63.70 3ce6 s PRO 450 Cb -0.30 -1.87 0.78 0.00 0.05 0.00 0.00 34.50 33.16 3ce6 s PRO 450 CO 0.35 -1.52 1.84 -0.22 0.05 0.00 0.00 177.00 177.50 3ce6 h LYS 451 N 0.42 0.71 -0.52 4.56 3.64 -1.99 -1.34 116.57 122.05 3ce6 h LYS 451 Ca -0.50 -0.04 0.05 0.00 -1.27 0.00 0.00 60.65 58.89 3ce6 h LYS 451 Cb 1.31 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 32.94 3ce6 h LYS 451 CO 0.53 0.47 0.35 1.12 -2.27 0.00 0.00 179.45 179.65 3ce6 h HIS 452 N 0.73 0.52 0.07 1.91 2.07 -1.96 0.22 115.15 118.71 3ce6 h HIS 452 Ca 0.49 0.01 -0.24 0.00 -2.85 0.00 0.00 60.37 57.78 3ce6 h HIS 452 Cb 0.76 -0.17 -0.01 0.00 2.57 0.00 0.00 27.41 30.56 3ce6 h HIS 452 CO -0.00 0.29 -1.09 -0.07 -3.07 0.00 0.00 177.93 173.99 3ce6 h LEU 453 N 0.53 0.32 -0.65 6.12 3.38 -1.61 -0.66 115.31 122.74 3ce6 h LEU 453 Ca 0.22 -0.31 -0.08 0.00 0.09 0.00 0.00 57.88 57.80 3ce6 h LEU 453 Cb 0.19 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 3ce6 h LEU 453 CO -0.06 1.20 0.11 0.44 0.09 0.00 0.00 178.44 180.22 3ce6 h ASP 454 N 0.08 1.03 -0.85 -0.43 3.32 -1.21 -2.45 116.42 115.92 3ce6 h ASP 454 Ca -0.09 -0.26 0.01 0.00 0.02 0.00 0.00 57.03 56.71 3ce6 h ASP 454 Cb 1.79 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 41.03 3ce6 h ASP 454 CO 0.17 1.03 0.56 -0.33 -1.72 0.00 0.00 179.24 178.95 3ce6 h GLU 455 N 1.00 1.12 -0.59 3.56 5.08 -0.90 -0.57 114.58 123.28 3ce6 h GLU 455 Ca 0.20 -0.07 0.10 0.00 -1.00 0.00 0.00 59.36 58.60 3ce6 h GLU 455 Cb 0.43 -0.25 -0.08 0.00 0.50 0.00 0.00 28.75 29.35 3ce6 h GLU 455 CO 0.01 0.74 0.15 -0.22 -1.00 0.00 0.00 179.01 178.70 3ce6 h LYS 456 N 1.15 0.29 0.00 2.33 3.64 -0.87 0.43 116.57 123.54 3ce6 h LYS 456 Ca 0.31 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.67 3ce6 h LYS 456 Cb -0.13 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.62 3ce6 h LYS 456 CO -0.07 0.19 -0.00 0.28 -2.27 0.00 0.00 179.45 177.58 3ce6 h VAL 457 N 0.30 1.11 -0.88 2.00 2.07 -1.01 -2.71 116.25 117.13 3ce6 h VAL 457 Ca 0.31 -0.34 0.01 0.00 0.82 0.00 0.00 66.70 67.50 3ce6 h VAL 457 Cb 0.43 1.34 -0.04 0.00 -1.52 0.00 0.00 31.29 31.50 3ce6 h VAL 457 CO -0.37 0.09 0.59 0.00 0.02 0.00 0.00 177.57 177.90 3ce6 h ALA 458 N 0.85 1.13 -0.82 1.67 0.00 -0.45 -2.63 119.26 119.01 3ce6 h ALA 458 Ca -0.00 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 54.89 3ce6 h ALA 458 Cb 0.14 -0.35 -0.05 0.00 0.00 0.00 0.00 17.79 17.53 3ce6 h ALA 458 CO 0.00 0.51 0.54 -0.09 0.00 0.00 0.00 179.25 180.21 3ce6 h ARG 459 N 1.19 0.96 -0.45 0.00 2.43 -0.72 0.73 114.38 118.52 3ce6 h ARG 459 Ca 0.33 -0.06 -0.07 0.00 -0.81 0.00 0.00 59.98 59.37 3ce6 h ARG 459 Cb -0.12 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 29.19 3ce6 h ARG 459 CO -0.08 0.63 0.01 0.82 -1.51 0.00 0.00 179.97 179.85 3ce6 h ILE 460 N 0.98 1.23 0.14 1.20 2.04 -1.16 -1.85 117.51 120.10 3ce6 h ILE 460 Ca 0.33 -0.94 -0.30 0.00 1.00 0.00 0.00 64.86 64.96 3ce6 h ILE 460 Cb 0.09 0.87 0.00 0.00 -0.74 0.00 0.00 36.82 37.04 3ce6 h ILE 460 CO -0.10 0.33 -1.40 0.45 0.00 0.00 0.00 178.15 177.43 3ce6 h HIS 461 N 0.69 0.54 -0.43 1.37 3.86 -0.95 -1.19 115.15 119.04 3ce6 h HIS 461 Ca 0.14 -0.40 0.08 0.00 -1.16 0.00 0.00 60.37 59.03 3ce6 h HIS 461 Cb 0.41 -0.02 -0.07 0.00 1.06 0.00 0.00 27.41 28.79 3ce6 h HIS 461 CO 0.02 1.36 0.03 0.28 0.86 0.00 0.00 177.93 180.48 3ce6 h VAL 462 N 0.08 0.70 -0.48 2.45 2.07 -0.78 -1.75 116.25 118.55 3ce6 h VAL 462 Ca -0.20 -0.05 0.05 0.00 0.82 0.00 0.00 66.70 67.33 3ce6 h VAL 462 Cb 2.02 0.55 -0.05 0.00 -1.52 0.00 0.00 31.29 32.29 3ce6 h VAL 462 CO 0.20 0.03 0.20 -0.08 0.02 0.00 0.00 177.57 177.93 3ce6 h GLU 463 N 0.14 0.39 -0.23 1.57 4.57 -1.28 -0.23 114.58 119.51 3ce6 h GLU 463 Ca 0.21 -0.02 -0.03 0.00 -1.18 0.00 0.00 59.36 58.34 3ce6 h GLU 463 Cb 0.29 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.78 3ce6 h GLU 463 CO -0.33 0.26 0.02 0.00 -1.18 0.00 0.00 179.01 177.78 3ce6 h ALA 464 N 1.29 1.62 -0.01 2.92 0.00 -0.98 -1.18 119.26 122.93 3ce6 h ALA 464 Ca 0.22 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3ce6 h ALA 464 Cb 0.19 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3ce6 h ALA 464 CO -0.19 0.29 -0.11 1.28 0.00 0.00 0.00 179.25 180.51 3ce6 n LEU 465 N -4.37 0.84 0.00 0.00 4.77 -0.68 -4.92 117.00 112.64 3ce6 n LEU 465 Ca 0.00 -0.20 0.00 0.00 -0.03 0.00 0.00 56.01 55.79 3ce6 n LEU 465 Cb 0.18 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 3ce6 n LEU 465 CO 0.37 0.15 0.00 0.61 -1.33 0.00 0.00 177.39 177.19 3ce6 n GLY 466 N 1.24 0.49 3.80 -0.72 0.00 -0.45 -5.06 105.19 104.50 3ce6 n GLY 466 Ca 0.16 -0.67 -0.33 0.00 0.00 0.00 0.00 46.02 45.18 3ce6 n GLY 466 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3ce6 s GLY 467 N -2.61 2.23 -0.36 -0.02 0.00 -0.17 -5.00 107.32 101.40 3ce6 s GLY 467 Ca 0.00 0.44 -0.04 0.00 0.00 0.00 0.00 44.72 45.12 3ce6 s GLY 467 CO 0.00 0.75 0.12 0.30 0.00 0.00 0.00 173.10 174.27 3ce6 s HIS 468 N -2.33 3.40 0.37 1.90 3.76 -1.26 -4.46 115.29 116.66 3ce6 s HIS 468 Ca 0.64 -1.98 -0.27 0.00 -0.15 0.00 0.00 55.06 53.30 3ce6 s HIS 468 Cb -0.16 -2.64 -0.09 0.00 1.11 0.00 0.00 32.58 30.80 3ce6 s HIS 468 CO 0.31 -0.86 1.22 -0.51 -0.85 0.00 0.00 174.74 174.06 3ce6 s LEU 469 N 1.25 4.31 0.23 0.89 1.43 -1.26 -5.06 118.68 120.48 3ce6 s LEU 469 Ca 0.01 2.49 -0.23 0.00 -1.03 0.00 0.00 54.13 55.37 3ce6 s LEU 469 Cb -0.21 -3.84 -0.09 0.00 0.03 0.00 0.00 46.19 42.08 3ce6 s LEU 469 CO -0.01 -0.60 0.81 -0.89 0.23 0.00 0.00 176.35 175.89 3ce6 s THR 470 N -1.27 4.40 -0.20 5.49 2.01 -1.26 -5.07 115.64 119.74 3ce6 s THR 470 Ca 0.53 1.57 -0.08 0.00 0.31 0.00 0.00 61.69 64.03 3ce6 s THR 470 Cb -0.35 -3.99 -0.04 0.00 0.01 0.00 0.00 72.50 68.13 3ce6 s THR 470 CO 0.45 0.29 0.07 -0.75 -0.69 0.00 0.00 174.62 173.98 3ce6 s LYS 471 N -1.74 3.93 0.36 4.92 2.20 -1.26 -5.07 119.74 123.08 3ce6 s LYS 471 Ca 0.43 -0.36 -0.28 0.00 -0.36 0.00 0.00 55.97 55.40 3ce6 s LYS 471 Cb -0.19 -3.25 -0.10 0.00 -1.51 0.00 0.00 37.83 32.77 3ce6 s LYS 471 CO 0.24 0.19 1.40 -0.51 -0.36 0.00 0.00 175.35 176.30 3ce6 s LEU 472 N 0.61 4.35 0.68 5.43 1.43 -1.26 -5.01 118.68 124.91 3ce6 s LEU 472 Ca 0.04 2.87 -0.11 0.00 -1.03 0.00 0.00 54.13 55.90 3ce6 s LEU 472 Cb -0.13 -3.68 -0.00 0.00 0.03 0.00 0.00 46.19 42.41 3ce6 s LEU 472 CO 0.01 -0.74 1.06 0.42 0.23 0.00 0.00 176.35 177.33 3ce6 s THR 473 N -1.14 4.13 0.24 5.49 -4.23 -1.26 -4.85 115.64 114.02 3ce6 s THR 473 Ca 0.52 0.69 -0.05 0.00 -1.18 0.00 0.00 61.69 61.67 3ce6 s THR 473 Cb -0.43 -3.51 0.21 0.00 1.34 0.00 0.00 72.50 70.11 3ce6 s THR 473 CO 0.58 -0.90 1.74 0.50 -0.54 0.00 0.00 174.62 175.99 3ce6 h LYS 474 N -0.64 0.45 -0.37 3.99 3.64 -2.00 -0.95 116.57 120.70 3ce6 h LYS 474 Ca -0.44 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 58.85 3ce6 h LYS 474 Cb 1.21 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.91 3ce6 h LYS 474 CO 0.58 0.30 -0.00 0.93 -2.27 0.00 0.00 179.45 178.99 3ce6 h GLU 475 N 0.47 0.65 -0.79 1.90 5.08 -1.99 -1.75 114.58 118.13 3ce6 h GLU 475 Ca 0.40 -0.21 -0.01 0.00 -1.00 0.00 0.00 59.36 58.55 3ce6 h GLU 475 Cb 0.59 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.74 3ce6 h GLU 475 CO -0.38 0.76 0.46 1.96 -1.00 0.00 0.00 179.01 180.81 3ce6 h GLN 476 N 0.46 1.09 -0.80 2.33 4.20 -1.85 -1.24 115.11 119.30 3ce6 h GLN 476 Ca 0.10 -0.11 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3ce6 h GLN 476 Cb 0.46 -0.22 -0.04 0.00 0.30 0.00 0.00 27.48 27.98 3ce6 h GLN 476 CO 0.02 0.78 0.50 0.00 -0.67 0.00 0.00 178.83 179.46 3ce6 h ALA 477 N 1.25 1.02 -0.68 3.87 0.00 -0.94 -1.59 119.26 122.18 3ce6 h ALA 477 Ca 0.28 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 3ce6 h ALA 477 Cb -0.02 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.42 3ce6 h ALA 477 CO -0.05 0.46 0.23 1.49 0.00 0.00 0.00 179.25 181.37 3ce6 h GLU 478 N 1.09 1.04 -0.50 0.00 4.81 -1.11 0.12 114.58 120.03 3ce6 h GLU 478 Ca 0.29 -0.21 -0.04 0.00 -0.13 0.00 0.00 59.36 59.26 3ce6 h GLU 478 Cb -0.08 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.12 3ce6 h GLU 478 CO -0.06 0.89 0.15 -0.92 -0.73 0.00 0.00 179.01 178.34 3ce6 h TYR 479 N 0.98 0.81 0.00 0.92 3.20 -0.73 -2.35 116.97 119.80 3ce6 h TYR 479 Ca 0.22 -0.08 0.00 0.00 3.14 0.00 0.00 58.73 62.01 3ce6 h TYR 479 Cb 0.27 -0.23 0.00 0.00 1.54 0.00 0.00 36.73 38.31 3ce6 h TYR 479 CO 0.02 0.71 -0.03 1.28 -1.64 0.00 0.00 178.16 178.50 3ce6 n LEU 480 N -4.49 0.85 -2.26 2.82 4.77 -0.64 -4.95 117.00 113.09 3ce6 n LEU 480 Ca 0.01 0.56 -0.13 0.00 -0.03 0.00 0.00 56.01 56.43 3ce6 n LEU 480 Cb 0.20 -0.30 0.05 0.00 -2.33 0.00 0.00 43.42 41.03 3ce6 n LEU 480 CO 0.39 -0.18 0.13 0.61 -1.33 0.00 0.00 177.39 177.01 3ce6 n GLY 481 N 1.30 0.10 3.40 -0.72 0.00 0.28 -5.04 105.19 104.51 3ce6 n GLY 481 Ca 0.05 -0.15 -0.20 0.00 0.00 0.00 0.00 46.02 45.72 3ce6 n GLY 481 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3ce6 s VAL 482 N -3.18 1.40 0.28 1.61 -7.23 -0.31 -5.03 120.40 107.94 3ce6 s VAL 482 Ca 0.30 -2.08 -0.21 0.00 -1.81 0.00 0.00 61.98 58.17 3ce6 s VAL 482 Cb -0.13 -2.44 -0.09 0.00 0.56 0.00 0.00 36.38 34.28 3ce6 s VAL 482 CO 0.41 -0.29 0.81 -1.81 -0.31 0.00 0.00 175.10 173.91 3ce6 s ASP 483 N -3.40 7.10 0.42 4.85 1.01 -1.26 -4.37 116.67 121.02 3ce6 s ASP 483 Ca 0.30 1.55 0.16 0.00 0.71 0.00 0.00 52.55 55.27 3ce6 s ASP 483 Cb 0.05 -2.47 1.05 0.00 1.01 0.00 0.00 42.92 42.55 3ce6 s ASP 483 CO 0.11 -0.06 1.89 0.58 0.21 0.00 0.00 175.17 177.90 3ce6 h VAL 484 N 2.55 0.75 -0.13 -1.27 2.07 -1.93 -0.06 116.25 118.23 3ce6 h VAL 484 Ca -0.48 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 66.89 3ce6 h VAL 484 Cb 1.19 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 31.24 3ce6 h VAL 484 CO 0.65 0.08 0.00 -0.62 0.02 0.00 0.00 177.57 177.70 3ce6 n GLU 485 N -4.50 1.50 -0.47 1.57 -0.58 -1.26 -4.73 120.64 112.18 3ce6 n GLU 485 Ca 0.16 -0.76 0.06 0.00 -0.42 0.00 0.00 57.16 56.21 3ce6 n GLU 485 Cb 0.59 -1.34 -0.02 0.00 -0.57 0.00 0.00 31.44 30.10 3ce6 n GLU 485 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3ce6 n GLY 486 N 1.00 -1.98 3.76 0.62 0.00 -0.04 -4.94 105.19 103.62 3ce6 n GLY 486 Ca 0.15 -1.34 -0.36 0.00 0.00 0.00 0.00 46.02 44.47 3ce6 n GLY 486 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3ce6 s PRO 487 N -1.14 3.08 0.00 1.61 0.04 -1.26 -4.58 135.00 132.75 3ce6 s PRO 487 Ca 0.00 1.85 0.22 0.00 0.04 0.00 0.00 61.00 63.10 3ce6 s PRO 487 Cb 0.00 -2.00 -0.13 0.00 0.04 0.00 0.00 34.50 32.41 3ce6 s PRO 487 CO 0.00 -1.12 0.94 0.66 0.04 0.00 0.00 177.00 177.52 3ce6 n TYR 488 N -1.42 0.01 -4.26 0.56 4.01 -1.26 -4.47 117.16 110.33 3ce6 n TYR 488 Ca 0.13 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.68 3ce6 n TYR 488 Cb 0.49 -0.09 -0.11 0.00 -0.31 0.00 0.00 39.34 39.32 3ce6 n TYR 488 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 3ce6 s LYS 489 N -3.05 1.08 0.91 -0.72 -0.14 -1.26 -5.03 119.74 111.54 3ce6 s LYS 489 Ca 0.07 -1.28 -0.11 0.00 -1.36 0.00 0.00 55.97 53.29 3ce6 s LYS 489 Cb 0.16 -1.00 0.14 0.00 -1.68 0.00 0.00 37.83 35.45 3ce6 s LYS 489 CO 0.85 0.19 1.10 -1.25 -0.76 0.00 0.00 175.35 175.48 3ce6 s PRO 490 N -2.71 1.11 0.34 -1.68 0.04 -1.26 -4.91 135.00 125.93 3ce6 s PRO 490 Ca 0.10 1.13 0.01 0.00 0.04 0.00 0.00 61.00 62.29 3ce6 s PRO 490 Cb -0.05 -1.77 0.60 0.00 0.04 0.00 0.00 34.50 33.32 3ce6 s PRO 490 CO 0.04 -2.43 2.00 0.22 0.04 0.00 0.00 177.00 176.87 3ce6 h ASP 491 N -1.70 0.77 -0.28 6.66 3.58 -2.03 -1.10 116.42 122.32 3ce6 h ASP 491 Ca -0.48 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 56.95 3ce6 h ASP 491 Cb 1.27 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 42.13 3ce6 h ASP 491 CO 0.49 0.56 0.00 0.00 -2.88 0.00 0.00 179.24 177.41 3ce6 n HIS 492 N -4.43 0.37 -1.70 0.28 1.44 -1.26 -4.93 115.22 104.98 3ce6 n HIS 492 Ca 0.07 -0.18 -0.43 0.00 -2.01 0.00 0.00 57.72 55.16 3ce6 n HIS 492 Cb 0.04 0.00 -0.02 0.00 0.12 0.00 0.00 29.99 30.14 3ce6 n HIS 492 CO 0.00 0.00 0.00 0.98 -2.81 0.00 0.00 176.34 174.51 3ce6 n TYR 493 N 0.48 2.36 0.96 -1.40 9.36 -0.42 -4.91 117.16 123.59 3ce6 n TYR 493 Ca 0.14 0.45 0.10 0.00 3.32 0.00 0.00 57.90 61.91 3ce6 n TYR 493 Cb 0.33 -2.47 -0.10 0.00 -0.63 0.00 0.00 39.34 36.47 3ce6 n TYR 493 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 3ce6 n ARG 494 N 1.37 0.46 -0.23 2.98 1.74 -1.26 -5.03 116.66 116.68 3ce6 n ARG 494 Ca 0.08 -0.16 0.00 0.00 -0.77 0.00 0.00 57.85 57.00 3ce6 n ARG 494 Cb 0.35 -1.46 0.00 0.00 -1.02 0.00 0.00 32.46 30.33 3ce6 n ARG 494 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77